A0A096M6U1_POEFO Loading...

Radical S-adenosyl methionine domain-containing protein

May be a heme chaperone, appears to bind heme. Homologous bacterial proteins do not have oxygen-independent coproporphyrinogen-III oxidase activity. Binds 1 [4Fe-4S] cluster. The cluster is coordinated with 3 cysteines and an exchangeable S-adenosyl-L-methionine.

AlphaFold DB , UniProt , Accession A0A096M6U1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 439 aa.

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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	T	29.9	Very low	24.8	Very low	182 Å²	182	170.2 Å²	170.2	100%	1.117	85%	0.85	S	S	*	*				0	110.7	0	-43.5	0	0	0	0	108.4
2	Y	22.6	Very low	24.6	Very low	198 Å²	198	164.8 Å²	164.8	78%	0.776	84%	0.84	S	S	*	*			trans	49.3	140.8	154.6	-75.3	-103.7	0	0	0	120.4
3	M	25.3	Very low	25.4	Very low	143 Å²	143	161.7 Å²	161.7	70%	0.704	84%	0.838	S	S	*	*			cis	-175.2	138.6	-6.7	-130.9	-170.1	-164.2	0	0	107.5
4	F	24.4	Very low	25.3	Very low	171 Å²	171	155.1 Å²	155.1	75%	0.75	83%	0.829	S	S	*	*			trans	25	138.1	139.4	-79.9	-95	0	0	0	123.3
5	R	24.3	Very low	25.2	Very low	252 Å²	252	154.4 Å²	154.4	95%	0.951	82%	0.824	S	S	*	*				-153.5	129.1	118.1	-109.8	177.9	-174.2	-161.6	1.7	113.3
6	K	24.8	Very low	25.3	Very low	182 Å²	182	158.4 Å²	158.4	79%	0.791	82%	0.824	S	S	*	*			trans	-78.6	154.8	170.3	-82.4	173.8	167.6	175.9	0	110.8
7	A	24.7	Very low	25.4	Very low	109 Å²	109	162.5 Å²	162.5	90%	0.901	83%	0.827	S	S	*	*			trans	-148.1	131.9	138.3	0	0	0	0	0	110.8
8	S	23.1	Very low	25.4	Very low	101 Å²	101	165.1 Å²	165.1	71%	0.706	83%	0.831	S	S	*	*			trans	-106.9	157.6	-174.6	50.1	0	0	0	0	111.6
9	R	26.1	Very low	25.5	Very low	251 Å²	251	161.9 Å²	161.9	95%	0.947	83%	0.826	S	S	*	*			trans	149.8	139.9	142.8	-84.1	164.3	-177.3	-157.5	1.6	108.4
10	G	23.5	Very low	25.8	Very low	78 Å²	78	161.5 Å²	161.5	80%	0.804	83%	0.826	S	S	*	*			cis	-170.4	167.9	7.9	0	0	0	0	0	109.6
11	F	23.8	Very low	25.8	Very low	205 Å²	205	161.6 Å²	161.6	90%	0.899	83%	0.827	S	S	*	*			trans	-103	155.8	-176.1	-108	-88.5	0	0	0	112
12	S	22.8	Very low	25.7	Very low	105 Å²	105	162 Å²	162	73%	0.734	81%	0.814	S	S	*	*			trans	101.6	163	149.9	-41.6	0	0	0	0	117.4
13	P	34.9	Very low	25.9	Very low	125 Å²	125	158.1 Å²	158.1	81%	0.812	81%	0.81	S	S	*	*				-139.9	167.6	-54.8	38.5	-21.9	0	0	0	114.5
14	G	23.8	Very low	26	Very low	69 Å²	69	156.8 Å²	156.8	71%	0.711	81%	0.81	S	S	*	*			trans	94.1	155.8	158.8	0	0	0	0	0	116.4
15	L	24.7	Very low	26.1	Very low	145 Å²	145	156.6 Å²	156.6	76%	0.759	81%	0.812	S	S	*	*			cis	-170.9	141.7	-3.2	-144.2	92	0	0	0	107.5
16	R	26.3	Very low	26.1	Very low	218 Å²	218	153.2 Å²	153.2	82%	0.823	81%	0.806	S	S	*	*			trans	73.9	113.7	151	-69.5	-179.9	-166.4	-159.5	4.7	123.6
17	R	26.4	Very low	26.3	Very low	229 Å²	229	150 Å²	150	86%	0.864	80%	0.802	S	S	*	*				50.3	123.2	124.7	-76.5	-172	178.6	-175.6	-1.1	120.9
18	F	26.3	Very low	26.4	Very low	208 Å²	208	150.1 Å²	150.1	91%	0.912	79%	0.794	S	S	*	*				-179.4	144.6	114.5	-90.2	-76.9	0	0	0	104.1
19	S	26.2	Very low	26.7	Very low	105 Å²	105	154.6 Å²	154.6	73%	0.734	80%	0.803	S	S	*	*			cis	-167	158.6	15.3	40.7	0	0	0	0	107.4
20	D	32.5	Very low	27.1	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	79%	0.791	S	S	*	*			trans	-46.9	134.7	177.9	-56.3	-74.1	0	0	0	115.1
21	L	26.3	Very low	27.6	Very low	163 Å²	163	149.5 Å²	149.5	85%	0.853	79%	0.791	S	S	*	*			trans	-156.2	91.9	146.6	-99.5	161.4	0	0	0	107.4	V23	L21-V23 PolarHBondContact O-N 3.36Å
22	K	26.7	Very low	28.1	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.835	78%	0.784	S	S	*	*			trans	-69.4	111.5	161.4	-79.4	-178.6	175.6	-179.1	0	107.1
23	V	27.8	Very low	29	Very low	115 Å²	115	143 Å²	143	70%	0.697	78%	0.777	S	S	*	*			trans	-98.9	89	156.4	-178.9	0	0	0	0	105.9	L21 E25	L21-V23 PolarHBondContact O-N 3.36Å; V23-E25 VanDerWaalsContact C-N 3.34Å; V23-E25 HydrophobicContact CG1-CG 4.03Å; V23-E25 PolarHBondContact O-N 2.97Å
24	T	27.4	Very low	29.5	Very low	116 Å²	116	139.1 Å²	139.1	71%	0.712	75%	0.751	S	S	*	*			trans	-76.1	92.3	159.4	41.4	0	0	0	0	106.7	H26	T24-H26 PolarHBondContact O-N 3.35Å
25	E	26.6	Very low	31	Very low	167 Å²	167	145.1 Å²	145.1	78%	0.78	75%	0.752	S	S	*	*			trans	-74.1	103.6	158.5	-89	178.9	175.8	0	0	107.3	V23 V27	V23-E25 VanDerWaalsContact C-N 3.34Å; V23-E25 HydrophobicContact CG1-CG 4.03Å; V23-E25 PolarHBondContact O-N 2.97Å; E25-V27 VanDerWaalsContact C-N 3.29Å; E25-V27 PolarHBondContact O-N 3.26Å
26	H	24.3	Very low	32.7	Very low	180 Å²	180	139.7 Å²	139.7	83%	0.833	72%	0.724	S	S	*	*			trans	-61.5	96.1	161.6	-108.6	-58.7	0	0	0	107.4	T24 P28	T24-H26 PolarHBondContact O-N 3.35Å; H26-P28 WeakPolarHBondContact O-CD 3.32Å
27	V	28.9	Very low	34.7	Very low	114 Å²	114	131.1 Å²	131.1	69%	0.691	70%	0.696	S	S	*	*			trans	-66.1	122.2	158.3	-178.8	0	0	0	0	105.8	E25 E29	E25-V27 VanDerWaalsContact C-N 3.29Å; E25-V27 PolarHBondContact O-N 3.26Å; V27-E29 PolarHBondContact O-N 2.85Å
28	P	26.4	Very low	37.4	Very low	113 Å²	113	124.2 Å²	124.2	73%	0.734	67%	0.673	S	S	*	*			trans	-60.4	126.8	174.8	-15.6	28.4	0	0	0	108.1	H26 S30	H26-P28 WeakPolarHBondContact O-CD 3.32Å; P28-S30 PolarHBondContact O-N 3.28Å
29	E	29.8	Very low	40.3	Very low	195 Å²	195	117.3 Å²	117.3	91%	0.911	64%	0.644	S	S	*	*			trans	-55.5	108.9	168.7	-76.7	-180	155.4	0	0	108.1	V27	V27-E29 PolarHBondContact O-N 2.85Å
30	S	33.1	Very low	43.3	Very low	99 Å²	99	112.4 Å²	112.4	69%	0.692	61%	0.61	S	S	*	*			trans	-56	137.6	171.7	-179.6	0	0	0	0	109.1	P28 A32	P28-S30 PolarHBondContact O-N 3.28Å; S30-A32 PolarHBondContact O-N 2.69Å; S30-A32 VanDerWaalsContact O-N 3.11Å
31	P	35.3	Very low	46.1	Very low	122 Å²	122	105 Å²	105	79%	0.792	57%	0.57	S	S	*	*	S	Bend	trans	-57.3	122.1	-179.4	24.6	-33	0	0	0	109	S33	P31-S33 PolarHBondContact O-N 2.9Å
32	A	34.1	Very low	49.3	Very low	92 Å²	92	97.3 Å²	97.3	76%	0.76	53%	0.53	S	S	*	.			trans	1	100.5	178.9	0	0	0	0	0	114.3	S30 P34	S30-A32 PolarHBondContact O-N 2.69Å; S30-A32 VanDerWaalsContact O-N 3.11Å; A32-P34 VanDerWaalsContact O-N 3.1Å
33	S	41.4	Very low	52.5	Low	83 Å²	83	89.3 Å²	89.3	58%	0.58	50%	0.495	S	S	*	.			trans	-44.5	124.1	166.7	-177.5	0	0	0	0	107.6	P31 R35	P31-S33 PolarHBondContact O-N 2.9Å; S33-R35 PolarHBondContact O-N 3.29Å
34	P	44.9	Very low	55.7	Low	42 Å²	42	84.1 Å²	84.1	27%	0.273	46%	0.463	S	S	.	.			trans	-54.1	146.9	-176.6	21.4	-33	0	0	0	109.1	A32 L36 T37 L374	A32-P34 VanDerWaalsContact O-N 3.1Å; P34-L36 HydrophobicContact CB-CD1 4.08Å; P34-L36 HydrophobicContact CB-CG 4.01Å; P34-L36 HydrophobicContact CG-CB 4.47Å; P34-L36 HydrophobicContact CG-CD1 3.75Å; P34-L36 HydrophobicContact CG-CG 4.13Å; P34-L36 PolarHBondContact O-N 2.78Å; P34-T37 PolarHBondContact O-N 2.7Å; P34-L374 HydrophobicContact CB-CD2 4.04Å; P34-L374 HydrophobicContact CG-CB 4.36Å; P34-L374 HydrophobicContact CG-CD2 4.49Å
35	R	56	Low	58.9	Low	195 Å²	195	79 Å²	79	74%	0.736	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-53.1	2.5	177.9	-62.4	-173.5	-172.9	179.6	-0.1	115.2	S33 T37 E38	S33-R35 PolarHBondContact O-N 3.29Å; R35-T37 PolarHBondContact O-N 3.2Å; R35-E38 PolarHBondContact O-N 3.13Å
36	L	60.2	Low	62.1	Low	31 Å²	31	71.8 Å²	71.8	16%	0.162	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-53	-25.9	170.6	-65.3	177	0	0	0	113.2	P34 R295 Q296 L374 F375	P34-L36 HydrophobicContact CB-CD1 4.08Å; P34-L36 HydrophobicContact CB-CG 4.01Å; P34-L36 HydrophobicContact CG-CB 4.47Å; P34-L36 HydrophobicContact CG-CD1 3.75Å; P34-L36 HydrophobicContact CG-CG 4.13Å; P34-L36 PolarHBondContact O-N 2.78Å; L36-R295 HydrophobicContact CD2-CG 4.48Å; L36-Q296 WeakPolarHBondContact O-CG 3.25Å; L36-Q296 PolarHBondContact O-NE2 3.37Å; L36-L374 HydrophobicContact CD1-CB 3.94Å; L36-L374 HydrophobicContact CD1-CD1 4.11Å; L36-F375 HydrophobicContact CD1-CE1 4.08Å; L36-F375 HydrophobicContact CD1-CE2 4.36Å; L36-F375 HydrophobicContact CD1-CZ 3.86Å
37	T	68.8	Low	65.4	Low	38 Å²	38	63.2 Å²	63.2	23%	0.233	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-84	-19.7	177.2	53.7	0	0	0	0	113.7	P34 R35 Q296 V309	P34-T37 PolarHBondContact O-N 2.7Å; R35-T37 PolarHBondContact O-N 3.2Å; T37-Q296 VanDerWaalsContact C-NE2 3.27Å; T37-Q296 VanDerWaalsContact CA-NE2 3.3Å; T37-Q296 PolarHBondContact O-NE2 3.38Å; T37-V309 HydrophobicContact CG2-CG2 4.32Å
38	E	82.1	Confident	68.5	Low	84 Å²	84	58.8 Å²	58.8	39%	0.393	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-16.5	-179.6	-61.8	-179.1	167.5	0	0	112.9	R35 S89 W90	R35-E38 PolarHBondContact O-N 3.13Å; E38-S89 PolarHBondContact O-N 3.37Å; E38-W90 PolarHBondContact O-N 3.27Å
39	Q	87.1	Confident	71.6	Confident	63 Å²	63	53.9 Å²	53.9	29%	0.294	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.1	-176.8	-74.3	179.7	9.9	0	0	111.8	W90 V92 Q296	Q39-W90 WeakPolarHBondContact CA-O 3.27Å; Q39-W90 HydrophobicContact CG-CB 3.65Å; Q39-V92 HydrophobicContact CB-CG2 3.79Å; Q39-V92 HydrophobicContact CG-CG2 3.84Å; Q39-Q296 PolarHBondContact O-NE2 3.18Å
40	A	89.9	Confident	74.4	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.6	166.5	0	0	0	0	0	113.1	V88 W90 Y91 V92 Q296 I298	A40-V88 HydrophobicContact CB-CB 4.4Å; A40-V88 HydrophobicContact CB-CG1 3.84Å; A40-V88 HydrophobicContact CB-CG2 4.36Å; A40-W90 PolarHBondContact N-O 2.9Å; A40-Y91 WeakPolarHBondContact O-CD2 3.32Å; A40-V92 PolarHBondContact O-N 3.32Å; A40-Q296 VanDerWaalsContact CA-O 3.28Å; A40-Q296 WeakPolarHBondContact CA-O 3.35Å; A40-Q296 HydrophobicContact CB-CB 3.98Å; A40-I298 HydrophobicContact CB-CD1 4.29Å; A40-I298 HydrophobicContact CB-CG1 4.3Å
41	S	92.1	Very high	77	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	153.7	158.4	-66.7	0	0	0	0	110.2	N93 S290 Q296 Y297 I298	S41-N93 WeakPolarHBondContact CA-O 3.29Å; S41-N93 WeakPolarHBondContact CB-OD1 3.5Å; S41-N93 VanDerWaalsContact OG-CG 3.27Å; S41-N93 PolarHBondContact OG-ND2 3Å; S41-N93 PolarHBondContact OG-OD1 3.08Å; S41-S290 WeakPolarHBondContact OG-CB 3.03Å; S41-S290 PolarHBondContact OG-OG 2.75Å; S41-Q296 PolarHBondContact N-O 3.02Å; S41-Y297 CarbonylContact O-C 3.16Å; S41-Y297 VanDerWaalsContact O-CA 3.24Å; S41-Y297 WeakPolarHBondContact O-CA 3.26Å; S41-I298 PolarHBondContact O-N 3.14Å
42	L	92.6	Very high	79.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.6	164.5	144.2	101	0	0	0	111	V44 T79 Y91 N93 F95 I113 V117 I298 V300	L42-V44 HydrophobicContact CD1-CG2 4.03Å; L42-V44 HydrophobicContact CD2-CG2 4.03Å; L42-V44 HydrophobicContact CG-CG2 3.87Å; L42-T79 HydrophobicContact CD2-CG2 4.19Å; L42-Y91 WeakPolarHBondContact CA-OH 3.25Å; L42-Y91 HydrophobicContact CB-CE2 3.44Å; L42-Y91 VanDerWaalsContact CB-CE2 3.44Å; L42-Y91 WeakPolarHBondContact CB-OH 3.41Å; L42-Y91 HydrophobicContact CD2-CE2 4.45Å; L42-Y91 WeakPolarHBondContact CD2-OH 3.45Å; L42-Y91 PolarHBondContact N-OH 3.42Å; L42-Y91 PolarHBondContact O-OH 3.04Å; L42-N93 PolarHBondContact N-O 3.27Å; L42-N93 VanDerWaalsContact N-O 3.15Å; L42-F95 PolarHBondContact O-N 3.28Å; L42-I113 HydrophobicContact CD2-CG2 4.39Å; L42-V117 HydrophobicContact CD2-CG2 3.69Å; L42-I298 WeakPolarHBondContact CA-O 3.33Å; L42-I298 HydrophobicContact CB-CB 4.39Å; L42-I298 HydrophobicContact CD1-CB 4.43Å; L42-I298 HydrophobicContact CD1-CG2 4.2Å; L42-V300 HydrophobicContact CD1-CB 3.85Å; L42-V300 HydrophobicContact CD1-CG2 3.3Å
43	Y	94.3	Very high	82.4	Confident	24 Å²	24	49.7 Å²	49.7	9%	0.094	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.3	175.8	171.5	-105	0	0	0	108.7	H45 F95 Q97 G98 I298 V300 A304	Y43-H45 HydrophobicContact CE1-CB 3.81Å; Y43-H45 AromaticContact CE1-ND1 3.94Å; Y43-H45 AromaticContact CZ-ND1 3.77Å; Y43-H45 PolarHBondContact OH-ND1 3.22Å; Y43-F95 WeakPolarHBondContact CA-O 3.11Å; Y43-F95 HydrophobicContact CD2-CD1 4.48Å; Y43-Q97 HydrophobicContact CD2-CB 4.41Å; Y43-Q97 HydrophobicContact CE2-CB 3.74Å; Y43-Q97 HydrophobicContact CE2-CG 3.91Å; Y43-Q97 WeakPolarHBondContact CE2-O 3.22Å; Y43-Q97 PolarHBondContact OH-O 2.82Å; Y43-G98 WeakPolarHBondContact OH-CA 3.42Å; Y43-I298 PolarHBondContact N-O 2.8Å; Y43-V300 PolarHBondContact O-N 2.95Å; Y43-A304 HydrophobicContact CD1-CB 3.94Å; Y43-A304 HydrophobicContact CE1-CB 3.88Å
44	V	95.1	Very high	85	Confident	6 Å²	6	46.3 Å²	46.3	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114	177.8	-174.1	0	0	0	0	109.5	L42 L75 F95 I113 V300	L42-V44 HydrophobicContact CD1-CG2 4.03Å; L42-V44 HydrophobicContact CD2-CG2 4.03Å; L42-V44 HydrophobicContact CG-CG2 3.87Å; V44-L75 HydrophobicContact CG1-CD1 4.35Å; V44-L75 HydrophobicContact CG1-CD2 4.05Å; V44-F95 PolarHBondContact N-O 3.02Å; V44-I113 HydrophobicContact CG1-CD1 3.91Å; V44-I113 HydrophobicContact CG2-CG2 4.2Å; V44-V300 WeakPolarHBondContact CA-O 3.47Å
45	H	95	Very high	87.3	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.037	20%	0.2	C	C	.	.			trans	-87.1	119.2	-179.5	-166.7	92.9	0	0	0	111.4	Y43 N59 G98 G99 V300 P302 A304	Y43-H45 HydrophobicContact CE1-CB 3.81Å; Y43-H45 AromaticContact CE1-ND1 3.94Å; Y43-H45 AromaticContact CZ-ND1 3.77Å; Y43-H45 PolarHBondContact OH-ND1 3.22Å; H45-N59 PolarHBondContact NE2-O 3.16Å; H45-N59 VanDerWaalsContact NE2-O 3.14Å; H45-G98 PolarHBondContact CE1-O 3.08Å; H45-G98 PolarHBondContact ND1-O 2.89Å; H45-G99 WeakPolarHBondContact CE1-CA 3.29Å; H45-G99 PolarHBondContact CE1-N 3.13Å; H45-G99 WeakPolarHBondContact NE2-CA 3.32Å; H45-V300 PolarHBondContact N-O 3.09Å; H45-P302 PolarHBondContact CD2-O 2.96Å; H45-P302 PolarHBondContact NE2-O 3.48Å; H45-A304 HydrophobicContact CB-CB 3.98Å
46	W	93.8	Very high	89	Confident	17 Å²	17	37.7 Å²	37.7	6%	0.064	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-101.3	113.1	169	-178.8	-94.4	0	0	0	109.8	Y48 E68 M71 L75 G100 T101 P102 A105	W46-Y48 AromaticContact CE2-CD2 3.93Å; W46-Y48 HydrophobicContact CH2-CD2 4.4Å; W46-Y48 AromaticContact CZ2-CD2 3.83Å; W46-Y48 HydrophobicContact CZ2-CD2 3.83Å; W46-Y48 PolarHBondContact NE1-O 3.32Å; W46-Y48 PolarHBondContact O-N 2.8Å; W46-E68 HydrophobicContact CH2-CG 4.12Å; W46-M71 HydrophobicContact CE3-CG 4.12Å; W46-M71 HydrophobicContact CH2-CG 4.31Å; W46-M71 HydrophobicContact CZ3-CB 4.34Å; W46-M71 HydrophobicContact CZ3-CG 3.68Å; W46-L75 HydrophobicContact CE3-CD1 4.21Å; W46-L75 HydrophobicContact CZ3-CD1 4.43Å; W46-G100 WeakPolarHBondContact O-CA 3.33Å; W46-G100 PolarHBondContact O-N 2.77Å; W46-T101 VanDerWaalsContact CD1-O 3.25Å; W46-T101 PolarHBondContact NE1-O 2.78Å; W46-P102 HydrophobicContact CB-CB 4.28Å; W46-P102 HydrophobicContact CB-CG 4.18Å; W46-A105 HydrophobicContact CD2-CB 4.04Å; W46-A105 HydrophobicContact CE3-CB 3.9Å; W46-A105 HydrophobicContact CH2-CB 3.83Å; W46-A105 HydrophobicContact CZ2-CB 3.98Å; W46-A105 HydrophobicContact CZ3-CB 3.79Å
47	P	92.8	Very high	90.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.189	C	C	.	.			trans	-83.7	-9.6	-166.4	35	-39.8	0	0	0	114.1	K60 Y61 M71 P302 P327	P47-K60 CarbonylContact O-C 3.5Å; P47-K60 VanDerWaalsContact O-CA 3.27Å; P47-K60 WeakPolarHBondContact O-CA 3.43Å; P47-Y61 HydrophobicContact CB-CD2 4.02Å; P47-Y61 PolarHBondContact O-N 2.92Å; P47-M71 HydrophobicContact CG-CE 3.8Å; P47-P302 HydrophobicContact CB-CB 4.37Å; P47-P302 HydrophobicContact CB-CG 4.35Å; P47-P302 HydrophobicContact CG-CG 4.03Å; P47-P327 HydrophobicContact CB-CG 3.77Å; P47-P327 HydrophobicContact CG-CB 4.29Å; P47-P327 HydrophobicContact CG-CG 3.78Å
48	Y	93.1	Very high	91.4	Very high	20 Å²	20	45.3 Å²	45.3	8%	0.078	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-97.4	135.1	-166.4	-58.7	-57.9	0	0	0	113.8	W46 Y61 P63 M71 G100 T101 P327	W46-Y48 AromaticContact CE2-CD2 3.93Å; W46-Y48 HydrophobicContact CH2-CD2 4.4Å; W46-Y48 AromaticContact CZ2-CD2 3.83Å; W46-Y48 HydrophobicContact CZ2-CD2 3.83Å; W46-Y48 PolarHBondContact NE1-O 3.32Å; W46-Y48 PolarHBondContact O-N 2.8Å; Y48-Y61 VanDerWaalsContact CA-O 3.31Å; Y48-Y61 WeakPolarHBondContact CA-O 3.35Å; Y48-P63 HydrophobicContact CD1-CB 3.83Å; Y48-P63 HydrophobicContact CD1-CG 4.26Å; Y48-P63 HydrophobicContact CE1-CB 4.09Å; Y48-P63 HydrophobicContact CG-CB 4.23Å; Y48-P63 HydrophobicContact CG-CG 4.37Å; Y48-M71 HydrophobicContact CE2-CB 4.5Å; Y48-M71 HydrophobicContact CE2-CE 3.58Å; Y48-M71 HydrophobicContact CE2-CG 4.31Å; Y48-M71 WeakPolarHBondContact OH-CE 3.44Å; Y48-G100 CarbonylContact O-C 3.53Å; Y48-G100 WeakPolarHBondContact O-CA 3.37Å; Y48-T101 PolarHBondContact O-N 3.44Å; Y48-P327 HydrophobicContact CE1-CB 4.2Å; Y48-P327 HydrophobicContact CE1-CG 4.16Å; Y48-P327 WeakPolarHBondContact OH-CB 3.16Å
49	C	91.5	Very high	91.8	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.074	20%	0.197	C	C	.	.			trans	-118.8	157.7	167.9	-74.5	0	0	0	0	110.8	R51 Y61 I62 P63 G100 T101	C49-R51 VanDerWaalsContact CB-O 3.28Å; C49-R51 WeakPolarHBondContact CB-O 3.39Å; C49-Y61 PolarHBondContact N-O 3.39Å; C49-I62 HydrophobicContact CB-CD1 3.96Å; C49-I62 WeakPolarHBondContact O-CD1 3.26Å; C49-P63 WeakPolarHBondContact O-CD 3.3Å; C49-G100 WeakPolarHBondContact SG-CA 3.44Å; C49-T101 PolarHBondContact SG-OG1 2.83Å; C49-T101 VanDerWaalsContact SG-OG1 3.38Å
50	L	88.4	Confident	91.9	Very high	101 Å²	101	41.4 Å²	41.4	53%	0.529	19%	0.189	S	C	.	.	S	Bend	trans	-73.8	-32.5	167	-65.8	179	0	0	0	112.2	L104	L50-L104 HydrophobicContact CD1-CD2 3.79Å; L50-L104 HydrophobicContact CD2-CD1 4.15Å; L50-L104 HydrophobicContact CD2-CD2 4.17Å; L50-L104 HydrophobicContact CG-CD1 3.77Å; L50-L104 HydrophobicContact CG-CD2 3.74Å; L50-L104 HydrophobicContact CG-CG 4.42Å
51	R	88.1	Confident	92	Very high	131 Å²	131	44.3 Å²	44.3	49%	0.494	20%	0.2	S	C	.	.	S	Bend	trans	-150.8	165.4	177.6	66.4	179.6	66.6	170.7	4	112.1	C49 G170 D172	C49-R51 VanDerWaalsContact CB-O 3.28Å; C49-R51 WeakPolarHBondContact CB-O 3.39Å; R51-G170 WeakPolarHBondContact CD-O 3.17Å; R51-D172 HydrophobicContact CG-CB 4.47Å; R51-D172 IonicContact NE-OD2 3.87Å
52	R	90.6	Very high	92	Very high	167 Å²	167	47.6 Å²	47.6	63%	0.63	22%	0.217	S	C	*	.			trans	-93.7	116.5	175.8	-64.2	-179.1	176.9	174.4	-2.7	109.7	I62	R52-I62 HydrophobicContact CG-CD1 4.12Å; R52-I62 HydrophobicContact CG-CG1 4.21Å
53	C	93.4	Very high	91.6	Very high	20 Å²	20	50.4 Å²	50.4	14%	0.135	24%	0.235	C	C	.	.			trans	-63.2	148.8	167.7	-59.4	0	0	0	0	110.2	Y55 C56 L169	C53-Y55 HydrophobicContact CB-CD1 3.95Å; C53-Y55 HydrophobicContact CB-CE1 3.6Å; C53-Y55 PolarHBondContact O-N 2.79Å; C53-C56 HydrophobicContact CB-CB 4Å; C53-C56 PolarHBondContact O-N 2.81Å; C53-L169 WeakPolarHBondContact CA-O 3.5Å; C53-L169 WeakPolarHBondContact CB-O 3.03Å
54	T	94.9	Very high	90.9	Very high	12 Å²	12	59 Å²	59	7%	0.074	27%	0.273	C	S	.	.	S	Bend	trans	-67.4	-22.5	-169.9	57	0	0	0	0	113.7	S168 L169 T235 Q236 L237	T54-S168 WeakPolarHBondContact CG2-O 3.47Å; T54-S168 PolarHBondContact OG1-O 2.63Å; T54-L169 PolarHBondContact N-O 3.36Å; T54-L169 VanDerWaalsContact OG1-C 3.31Å; T54-L169 WeakPolarHBondContact OG1-CA 3.45Å; T54-L169 PolarHBondContact OG1-O 3.2Å; T54-T235 WeakPolarHBondContact O-CB 3.34Å; T54-Q236 HydrophobicContact CG2-CB 4.5Å; T54-Q236 HydrophobicContact CG2-CG 4.49Å; T54-Q236 PolarHBondContact O-N 3.31Å; T54-Q236 VanDerWaalsContact O-N 3.07Å; T54-L237 WeakPolarHBondContact O-CB 3.4Å; T54-L237 PolarHBondContact O-N 3.02Å
55	Y	93.3	Very high	90.2	Very high	32 Å²	32	65.3 Å²	65.3	13%	0.125	30%	0.302	C	S	.	.	S	Bend	trans	-108.6	-16.2	-174.4	65.6	-85	0	0	0	114.6	C53 N57 L169 M198 L229	C53-Y55 HydrophobicContact CB-CD1 3.95Å; C53-Y55 HydrophobicContact CB-CE1 3.6Å; C53-Y55 PolarHBondContact O-N 2.79Å; Y55-N57 PolarHBondContact O-N 3.36Å; Y55-L169 HydrophobicContact CD1-CB 4.06Å; Y55-L169 HydrophobicContact CD1-CD2 3.5Å; Y55-L169 HydrophobicContact CD1-CG 4.33Å; Y55-L169 HydrophobicContact CE1-CB 3.86Å; Y55-L169 HydrophobicContact CE1-CD2 3.82Å; Y55-L169 HydrophobicContact CE1-CG 4.27Å; Y55-L169 HydrophobicContact CG-CD2 4.21Å; Y55-M198 HydrophobicContact CD2-CE 4.08Å; Y55-M198 HydrophobicContact CD2-SD 4.46Å; Y55-M198 HydrophobicContact CE2-CE 3.46Å; Y55-M198 VanDerWaalsContact CE2-CE 3.46Å; Y55-M198 HydrophobicContact CE2-SD 4.22Å; Y55-L229 VanDerWaalsContact CB-CD1 3.5Å; Y55-L229 HydrophobicContact CD2-CD1 3.83Å; Y55-L229 HydrophobicContact CG-CD1 3.73Å
56	C	91.1	Very high	89.5	Confident	25 Å²	25	71.4 Å²	71.4	17%	0.169	34%	0.335	C	S	.	.			trans	-79.1	127.2	-165.1	-178.3	0	0	0	0	110.8	C53 K60	C53-C56 HydrophobicContact CB-CB 4Å; C53-C56 PolarHBondContact O-N 2.81Å; C56-K60 WeakPolarHBondContact O-CE 3.38Å; C56-K60 PolarHBondContact O-NZ 2.96Å; C56-K60 WeakPolarHBondContact SG-CE 3.39Å; C56-K60 PolarHBondContact SG-NZ 2.89Å
57	N	89.3	Confident	89.1	Confident	92 Å²	92	72.6 Å²	72.6	49%	0.492	34%	0.343	S	S	.	.			trans	-107.6	8.5	176.7	-163.8	20	0	0	0	114.1	Y55 E232 T235	Y55-N57 PolarHBondContact O-N 3.36Å; N57-E232 HydrophobicContact CB-CB 3.65Å; N57-E232 HydrophobicContact CB-CG 3.67Å; N57-E232 PolarHBondContact ND2-OE2 3.32Å; N57-T235 HydrophobicContact CB-CG2 4.3Å
58	F	90.1	Very high	88.9	Confident	137 Å²	137	74.6 Å²	74.6	60%	0.601	35%	0.352	S	S	*	.	S	Bend	trans	-63.4	155.4	176.5	-59.4	-21.7	0	0	0	113.8	K60	F58-K60 VanDerWaalsContact N-NZ 3.11Å; F58-K60 WeakPolarHBondContact O-CG 3.22Å; F58-K60 PolarHBondContact O-N 3.43Å; F58-K60 PolarHBondContact O-NZ 3.38Å
59	N	90.6	Very high	88.8	Confident	37 Å²	37	79.1 Å²	79.1	20%	0.198	38%	0.377	C	S	.	.	S	Bend	trans	-63.1	94.7	174.2	-175.4	48.9	0	0	0	110.6	H45 Y61 G99 P302 L325	H45-N59 PolarHBondContact NE2-O 3.16Å; H45-N59 VanDerWaalsContact NE2-O 3.14Å; N59-Y61 VanDerWaalsContact OD1-CE2 3.31Å; N59-Y61 WeakPolarHBondContact OD1-CE2 3.38Å; N59-Y61 PolarHBondContact OD1-OH 2.97Å; N59-G99 CarbonylContact O-C 3.36Å; N59-G99 WeakPolarHBondContact O-CA 3.48Å; N59-P302 PolarHBondContact ND2-O 3.42Å; N59-L325 PolarHBondContact ND2-O 3.29Å; N59-L325 VanDerWaalsContact ND2-O 3.16Å
60	K	91	Very high	89	Confident	28 Å²	28	81 Å²	81	12%	0.122	39%	0.386	C	S	.	.			trans	-145.7	148.6	-172.6	71.1	-164.4	160.6	-78	0	113.5	P47 C56 F58 G99	P47-K60 CarbonylContact O-C 3.5Å; P47-K60 VanDerWaalsContact O-CA 3.27Å; P47-K60 WeakPolarHBondContact O-CA 3.43Å; C56-K60 WeakPolarHBondContact O-CE 3.38Å; C56-K60 PolarHBondContact O-NZ 2.96Å; C56-K60 WeakPolarHBondContact SG-CE 3.39Å; C56-K60 PolarHBondContact SG-NZ 2.89Å; F58-K60 VanDerWaalsContact N-NZ 3.11Å; F58-K60 WeakPolarHBondContact O-CG 3.22Å; F58-K60 PolarHBondContact O-N 3.43Å; F58-K60 PolarHBondContact O-NZ 3.38Å; K60-G99 VanDerWaalsContact CB-O 3.28Å; K60-G99 WeakPolarHBondContact CB-O 3.35Å
61	Y	92.2	Very high	89.3	Confident	62 Å²	62	76.2 Å²	76.2	24%	0.243	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-132.2	144.8	-171.7	-61.7	-95.5	0	0	0	109.6	P47 Y48 C49 N59 L325 E326 P327	P47-Y61 HydrophobicContact CB-CD2 4.02Å; P47-Y61 PolarHBondContact O-N 2.92Å; Y48-Y61 VanDerWaalsContact CA-O 3.31Å; Y48-Y61 WeakPolarHBondContact CA-O 3.35Å; C49-Y61 PolarHBondContact N-O 3.39Å; N59-Y61 VanDerWaalsContact OD1-CE2 3.31Å; N59-Y61 WeakPolarHBondContact OD1-CE2 3.38Å; N59-Y61 PolarHBondContact OD1-OH 2.97Å; Y61-L325 WeakPolarHBondContact CE2-O 3.43Å; Y61-L325 PolarHBondContact OH-O 3.16Å; Y61-E326 WeakPolarHBondContact OH-CA 3.27Å; Y61-P327 HydrophobicContact CD1-CG 4.36Å; Y61-P327 VanDerWaalsContact CD2-CD 3.48Å; Y61-P327 HydrophobicContact CD2-CG 3.53Å; Y61-P327 HydrophobicContact CE2-CG 3.89Å; Y61-P327 HydrophobicContact CG-CG 3.8Å; Y61-P327 VanDerWaalsContact CZ-CD 3.48Å
62	I	90.5	Very high	89.5	Confident	70 Å²	70	70.2 Å²	70.2	36%	0.359	34%	0.339	S	S	.	.			trans	-92.3	117.4	166.1	-53.5	-54.1	0	0	0	105.3	C49 R52 K64	C49-I62 HydrophobicContact CB-CD1 3.96Å; C49-I62 WeakPolarHBondContact O-CD1 3.26Å; R52-I62 HydrophobicContact CG-CD1 4.12Å; R52-I62 HydrophobicContact CG-CG1 4.21Å; I62-K64 PolarHBondContact O-N 3.26Å
63	P	84.9	Confident	89.8	Confident	58 Å²	58	69 Å²	69	38%	0.377	34%	0.339	S	S	.	.			trans	-62.8	134.6	-176.6	25.7	-32	0	0	0	109.6	Y48 C49	Y48-P63 HydrophobicContact CD1-CB 3.83Å; Y48-P63 HydrophobicContact CD1-CG 4.26Å; Y48-P63 HydrophobicContact CE1-CB 4.09Å; Y48-P63 HydrophobicContact CG-CB 4.23Å; Y48-P63 HydrophobicContact CG-CG 4.37Å; C49-P63 WeakPolarHBondContact O-CD 3.3Å
64	K	78.5	Confident	90	Very high	205 Å²	205	68.2 Å²	68.2	89%	0.891	33%	0.334	S	S	*	.	S	Bend	trans	-82.8	-30.3	174.1	-66.4	-178.1	-179.9	177.4	0	112.1	I62	I62-K64 PolarHBondContact O-N 3.26Å
65	E	81.1	Confident	90.1	Very high	139 Å²	139	67.8 Å²	67.8	65%	0.65	33%	0.331	S	S	*	.	S	Bend	trans	-139.4	156.7	-176.5	-65.9	175.1	-177.6	0	0	108.9	N67	E65-N67 PolarHBondContact O-N 2.96Å; E65-N67 VanDerWaalsContact O-N 3.08Å
66	N	80.1	Confident	90.2	Very high	135 Å²	135	69 Å²	69	72%	0.722	34%	0.338	S	S	*	.			trans	-78.8	92.3	174.2	-172.8	4.2	0	0	0	110.5	E68	N66-E68 VanDerWaalsContact OD1-CB 3.24Å; N66-E68 WeakPolarHBondContact OD1-CB 3.21Å; N66-E68 PolarHBondContact OD1-N 3.26Å
67	N	86.4	Confident	90.6	Very high	43 Å²	43	73.5 Å²	73.5	23%	0.23	35%	0.351	C	S	.	.			trans	-106.3	24.9	176.5	-72.8	-28.9	0	0	0	112.6	E65 D69 I70 M71	E65-N67 PolarHBondContact O-N 2.96Å; E65-N67 VanDerWaalsContact O-N 3.08Å; N67-D69 PolarHBondContact O-N 3.14Å; N67-I70 HydrophobicContact CB-CB 4.46Å; N67-I70 WeakPolarHBondContact O-CB 3.44Å; N67-I70 PolarHBondContact O-N 3.33Å; N67-I70 VanDerWaalsContact O-N 3.14Å; N67-M71 PolarHBondContact O-N 3.24Å
68	E	87.5	Confident	91	Very high	42 Å²	42	69.1 Å²	69.1	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-48.1	-175	172.9	158.1	-140.2	0	0	113.3	W46 N66 I70 M71 A72 A105 H106	W46-E68 HydrophobicContact CH2-CG 4.12Å; N66-E68 VanDerWaalsContact OD1-CB 3.24Å; N66-E68 WeakPolarHBondContact OD1-CB 3.21Å; N66-E68 PolarHBondContact OD1-N 3.26Å; E68-I70 VanDerWaalsContact C-N 3.25Å; E68-I70 PolarHBondContact O-N 3.11Å; E68-M71 WeakPolarHBondContact O-CB 3.41Å; E68-M71 PolarHBondContact O-N 3.25Å; E68-A72 WeakPolarHBondContact O-CB 3.34Å; E68-A72 PolarHBondContact O-N 2.83Å; E68-A105 VanDerWaalsContact OE1-CA 3.25Å; E68-A105 WeakPolarHBondContact OE1-CA 3.34Å; E68-H106 WeakPolarHBondContact OE1-CB 3.42Å; E68-H106 PolarHBondContact OE1-N 3.03Å
69	D	91.8	Very high	91.3	Very high	114 Å²	114	62.6 Å²	62.6	61%	0.61	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-34.8	178.1	-78.5	-30.6	0	0	0	112.6	N67 K73	N67-D69 PolarHBondContact O-N 3.14Å; D69-K73 VanDerWaalsContact O-CG 3.29Å; D69-K73 WeakPolarHBondContact O-CG 3.45Å; D69-K73 PolarHBondContact O-N 3Å; D69-K73 VanDerWaalsContact O-N 3.14Å
70	I	95.1	Very high	91.6	Very high	51 Å²	51	63.8 Å²	63.8	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-69	-46.3	176.7	-66.7	172.9	0	0	0	109.7	N67 E68 K73 C74 I331	N67-I70 HydrophobicContact CB-CB 4.46Å; N67-I70 WeakPolarHBondContact O-CB 3.44Å; N67-I70 PolarHBondContact O-N 3.33Å; N67-I70 VanDerWaalsContact O-N 3.14Å; E68-I70 VanDerWaalsContact C-N 3.25Å; E68-I70 PolarHBondContact O-N 3.11Å; I70-K73 PolarHBondContact O-N 3.26Å; I70-C74 PolarHBondContact O-N 3.1Å; I70-C74 PolarHBondContact O-SG 3.15Å; I70-I331 HydrophobicContact CG2-CD1 4.02Å; I70-I331 HydrophobicContact CG2-CG1 4.29Å; I70-I331 HydrophobicContact CG2-CG2 3.65Å
71	M	94.4	Very high	91.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-49.9	176.7	-178.5	58.4	70.5	0	0	110.4	W46 P47 Y48 N67 E68 K73 C74 L75 P302 P327 W330 I331	W46-M71 HydrophobicContact CE3-CG 4.12Å; W46-M71 HydrophobicContact CH2-CG 4.31Å; W46-M71 HydrophobicContact CZ3-CB 4.34Å; W46-M71 HydrophobicContact CZ3-CG 3.68Å; P47-M71 HydrophobicContact CG-CE 3.8Å; Y48-M71 HydrophobicContact CE2-CB 4.5Å; Y48-M71 HydrophobicContact CE2-CE 3.58Å; Y48-M71 HydrophobicContact CE2-CG 4.31Å; Y48-M71 WeakPolarHBondContact OH-CE 3.44Å; N67-M71 PolarHBondContact O-N 3.24Å; E68-M71 WeakPolarHBondContact O-CB 3.41Å; E68-M71 PolarHBondContact O-N 3.25Å; M71-K73 PolarHBondContact O-N 3.47Å; M71-C74 PolarHBondContact O-N 3.02Å; M71-C74 VanDerWaalsContact O-N 3.11Å; M71-L75 HydrophobicContact CG-CD1 3.91Å; M71-L75 HydrophobicContact CG-CG 4.3Å; M71-L75 WeakPolarHBondContact O-CG 3.3Å; M71-L75 PolarHBondContact O-N 2.95Å; M71-L75 HydrophobicContact SD-CD1 4.24Å; M71-L75 HydrophobicContact SD-CD2 4.43Å; M71-L75 HydrophobicContact SD-CG 4.09Å; M71-P302 HydrophobicContact CE-CG 4.15Å; M71-P302 HydrophobicContact SD-CG 4.47Å; M71-P327 HydrophobicContact CE-CB 3.96Å; M71-W330 HydrophobicContact CE-CZ3 4.33Å; M71-W330 HydrophobicContact SD-CE3 4.21Å; M71-W330 HydrophobicContact SD-CH2 4.17Å; M71-W330 HydrophobicContact SD-CZ3 3.5Å; M71-W330 VanDerWaalsContact SD-CZ3 3.5Å; M71-I331 HydrophobicContact CE-CD1 4.04Å; M71-I331 HydrophobicContact CE-CG1 4.36Å
72	A	93.8	Very high	92.1	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-45.9	179.2	0	0	0	0	0	112.6	E68 C74 L75 Q76 T109	E68-A72 WeakPolarHBondContact O-CB 3.34Å; E68-A72 PolarHBondContact O-N 2.83Å; A72-C74 VanDerWaalsContact C-N 3.35Å; A72-C74 PolarHBondContact O-N 3.35Å; A72-L75 PolarHBondContact O-N 2.84Å; A72-Q76 WeakPolarHBondContact O-CB 3.38Å; A72-Q76 PolarHBondContact O-N 2.89Å; A72-T109 HydrophobicContact CB-CG2 3.71Å; A72-T109 WeakPolarHBondContact CB-OG1 3.34Å
73	K	96.8	Very high	92.3	Very high	141 Å²	141	57 Å²	57	61%	0.613	27%	0.274	S	S	*	.	H	α-helix	trans	-63.3	-39.5	176.2	-73.4	172.8	-177.3	176.3	0	112.4	D69 I70 M71 R77	D69-K73 VanDerWaalsContact O-CG 3.29Å; D69-K73 WeakPolarHBondContact O-CG 3.45Å; D69-K73 PolarHBondContact O-N 3Å; D69-K73 VanDerWaalsContact O-N 3.14Å; I70-K73 PolarHBondContact O-N 3.26Å; M71-K73 PolarHBondContact O-N 3.47Å; K73-R77 WeakPolarHBondContact O-CB 3.42Å; K73-R77 PolarHBondContact O-N 2.79Å
74	C	97.8	Very high	92.7	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.034	28%	0.28	C	S	.	.	H	α-helix	trans	-70.6	-40.7	178.3	-64	0	0	0	0	111.3	I70 M71 A72 Q76 R77 E78 W330 V334	I70-C74 PolarHBondContact O-N 3.1Å; I70-C74 PolarHBondContact O-SG 3.15Å; M71-C74 PolarHBondContact O-N 3.02Å; M71-C74 VanDerWaalsContact O-N 3.11Å; A72-C74 VanDerWaalsContact C-N 3.35Å; A72-C74 PolarHBondContact O-N 3.35Å; C74-Q76 VanDerWaalsContact C-N 3.31Å; C74-Q76 PolarHBondContact O-N 3.26Å; C74-R77 PolarHBondContact O-N 3.39Å; C74-E78 WeakPolarHBondContact O-CB 3.42Å; C74-E78 PolarHBondContact O-N 2.93Å; C74-W330 HydrophobicContact CB-CE3 4.38Å; C74-W330 HydrophobicContact CB-CH2 3.54Å; C74-W330 HydrophobicContact CB-CZ3 3.39Å; C74-V334 HydrophobicContact CB-CB 4.24Å; C74-V334 HydrophobicContact CB-CG1 3.81Å; C74-V334 WeakPolarHBondContact O-CG1 3.41Å
75	L	96.3	Very high	93.5	Very high	2 Å²	2	51 Å²	51	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175.6	-71	169.9	0	0	0	110	V44 W46 M71 A72 R77 E78 T79 T109 I113 V300 W330	V44-L75 HydrophobicContact CG1-CD1 4.35Å; V44-L75 HydrophobicContact CG1-CD2 4.05Å; W46-L75 HydrophobicContact CE3-CD1 4.21Å; W46-L75 HydrophobicContact CZ3-CD1 4.43Å; M71-L75 HydrophobicContact CG-CD1 3.91Å; M71-L75 HydrophobicContact CG-CG 4.3Å; M71-L75 WeakPolarHBondContact O-CG 3.3Å; M71-L75 PolarHBondContact O-N 2.95Å; M71-L75 HydrophobicContact SD-CD1 4.24Å; M71-L75 HydrophobicContact SD-CD2 4.43Å; M71-L75 HydrophobicContact SD-CG 4.09Å; A72-L75 PolarHBondContact O-N 2.84Å; L75-R77 PolarHBondContact O-N 2.93Å; L75-E78 PolarHBondContact O-N 3.5Å; L75-T79 WeakPolarHBondContact O-CB 3.09Å; L75-T79 PolarHBondContact O-N 2.66Å; L75-T79 PolarHBondContact O-OG1 3.44Å; L75-T109 HydrophobicContact CD1-CG2 4.32Å; L75-I113 HydrophobicContact CB-CD1 3.92Å; L75-I113 HydrophobicContact CB-CG1 4.47Å; L75-I113 HydrophobicContact CD1-CD1 4.27Å; L75-V300 HydrophobicContact CD2-CG1 3.87Å; L75-W330 HydrophobicContact CD2-CH2 3.7Å; L75-W330 HydrophobicContact CD2-CZ2 4.09Å; L75-W330 HydrophobicContact CG-CH2 3.96Å
76	Q	96.1	Very high	94	Very high	59 Å²	59	44.4 Å²	44.4	28%	0.276	21%	0.214	S	C	.	.	H	α-helix	trans	-57.5	-47.6	175.4	-168.9	178.2	35.8	0	0	112.4	A72 C74 T79 E80 T116	A72-Q76 WeakPolarHBondContact O-CB 3.38Å; A72-Q76 PolarHBondContact O-N 2.89Å; C74-Q76 VanDerWaalsContact C-N 3.31Å; C74-Q76 PolarHBondContact O-N 3.26Å; Q76-T79 PolarHBondContact O-N 2.79Å; Q76-E80 PolarHBondContact O-N 2.92Å; Q76-T116 HydrophobicContact CG-CG2 4.16Å; Q76-T116 WeakPolarHBondContact CG-OG1 3.29Å; Q76-T116 PolarHBondContact NE2-OG1 2.78Å
77	R	98.3	Very high	94.6	Very high	118 Å²	118	43.3 Å²	43.3	45%	0.445	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-40.6	-179.2	-179.6	57.6	175.2	172.4	2.2	112.4	K73 C74 L75 E80 T81 V334	K73-R77 WeakPolarHBondContact O-CB 3.42Å; K73-R77 PolarHBondContact O-N 2.79Å; C74-R77 PolarHBondContact O-N 3.39Å; L75-R77 PolarHBondContact O-N 2.93Å; R77-E80 IonicContact CZ-OE2 3.19Å; R77-E80 IonicContact NH1-OE2 3.93Å; R77-E80 PolarHBondContact NH1-OE2 2.99Å; R77-T81 WeakPolarHBondContact O-CB 3.4Å; R77-T81 PolarHBondContact O-N 3.04Å; R77-T81 PolarHBondContact O-OG1 2.89Å; R77-V334 HydrophobicContact CB-CG1 4.02Å; R77-V334 HydrophobicContact CG-CG1 4.05Å
78	E	98.1	Very high	94.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-39.9	176.8	-174.7	173.7	-112.2	0	0	111.7	C74 L75 E80 T81 L82 V300 G301 Q323 W330 V334 G338 H339 G340	C74-E78 WeakPolarHBondContact O-CB 3.42Å; C74-E78 PolarHBondContact O-N 2.93Å; L75-E78 PolarHBondContact O-N 3.5Å; E78-E80 VanDerWaalsContact C-N 3.34Å; E78-E80 PolarHBondContact O-N 3.44Å; E78-T81 PolarHBondContact O-N 3.31Å; E78-L82 HydrophobicContact CG-CD1 3.8Å; E78-L82 HydrophobicContact CG-CG 3.94Å; E78-L82 WeakPolarHBondContact O-CB 3.47Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 3.49Å; E78-V300 HydrophobicContact CB-CG1 4.15Å; E78-V300 HydrophobicContact CG-CG1 4.26Å; E78-V300 HydrophobicContact CG-CG2 4.4Å; E78-V300 WeakPolarHBondContact OE2-CA 3.33Å; E78-G301 PolarHBondContact OE2-N 2.66Å; E78-Q323 PolarHBondContact OE1-OE1 2.69Å; E78-W330 HydrophobicContact CB-CZ2 4.11Å; E78-W330 PolarHBondContact OE1-NE1 2.77Å; E78-W330 WeakPolarHBondContact OE2-CZ2 3.27Å; E78-W330 PolarHBondContact OE2-NE1 3.34Å; E78-W330 VanDerWaalsContact OE2-NE1 3.1Å; E78-V334 HydrophobicContact CB-CG1 4.31Å; E78-V334 HydrophobicContact CB-CG2 4.22Å; E78-G338 WeakPolarHBondContact CA-O 3.38Å; E78-G338 PolarHBondContact N-O 3.08Å; E78-H339 HydrophobicContact CG-CB 3.94Å; E78-G340 PolarHBondContact OE1-N 2.87Å
79	T	96.2	Very high	94.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.4	-51.2	171	-62.8	0	0	0	0	110.8	L42 L75 Q76 T81 L82 L83 I113 T116 V117	L42-T79 HydrophobicContact CD2-CG2 4.19Å; L75-T79 WeakPolarHBondContact O-CB 3.09Å; L75-T79 PolarHBondContact O-N 2.66Å; L75-T79 PolarHBondContact O-OG1 3.44Å; Q76-T79 PolarHBondContact O-N 2.79Å; T79-T81 VanDerWaalsContact C-N 3.35Å; T79-T81 PolarHBondContact O-N 3.34Å; T79-L82 PolarHBondContact O-N 3.39Å; T79-L83 HydrophobicContact CG2-CD1 3.76Å; T79-L83 HydrophobicContact CG2-CG 4.33Å; T79-L83 WeakPolarHBondContact O-CB 3.5Å; T79-L83 VanDerWaalsContact O-CG 3.23Å; T79-L83 WeakPolarHBondContact O-CG 2.71Å; T79-L83 PolarHBondContact O-N 2.96Å; T79-I113 HydrophobicContact CG2-CG2 4.44Å; T79-T116 HydrophobicContact CG2-CG2 4.37Å; T79-V117 HydrophobicContact CG2-CG2 3.83Å
80	E	96.4	Very high	93.5	Very high	62 Å²	62	42.3 Å²	42.3	29%	0.29	20%	0.197	S	C	.	.	H	α-helix	trans	-57.1	-48	176.8	166	176.9	-133.4	0	0	111.9	Q76 R77 E78 L82 L83 Q84 T116 Q120	Q76-E80 PolarHBondContact O-N 2.92Å; R77-E80 IonicContact CZ-OE2 3.19Å; R77-E80 IonicContact NH1-OE2 3.93Å; R77-E80 PolarHBondContact NH1-OE2 2.99Å; E78-E80 VanDerWaalsContact C-N 3.34Å; E78-E80 PolarHBondContact O-N 3.44Å; E80-L82 PolarHBondContact O-N 3.38Å; E80-L83 PolarHBondContact O-N 3.36Å; E80-Q84 VanDerWaalsContact O-CG 3.31Å; E80-Q84 WeakPolarHBondContact O-CG 3.28Å; E80-Q84 PolarHBondContact O-N 3.26Å; E80-Q84 VanDerWaalsContact O-N 3.09Å; E80-T116 HydrophobicContact CB-CG2 4.07Å; E80-Q120 VanDerWaalsContact CG-NE2 3.33Å; E80-Q120 PolarHBondContact O-OE1 2.97Å
81	T	97.3	Very high	92.4	Very high	15 Å²	15	40 Å²	40	9%	0.092	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-43.9	-176.5	-56.8	0	0	0	0	111.6	R77 E78 T79 L85 G338 H339	R77-T81 WeakPolarHBondContact O-CB 3.4Å; R77-T81 PolarHBondContact O-N 3.04Å; R77-T81 PolarHBondContact O-OG1 2.89Å; E78-T81 PolarHBondContact O-N 3.31Å; T79-T81 VanDerWaalsContact C-N 3.35Å; T79-T81 PolarHBondContact O-N 3.34Å; T81-L85 HydrophobicContact CG2-CD1 4.1Å; T81-L85 VanDerWaalsContact O-CG 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.12Å; T81-L85 PolarHBondContact O-N 2.91Å; T81-G338 WeakPolarHBondContact CB-O 3.45Å; T81-G338 WeakPolarHBondContact OG1-CA 3.42Å; T81-G338 PolarHBondContact OG1-O 3.04Å; T81-G338 VanDerWaalsContact OG1-O 3.07Å; T81-H339 HydrophobicContact CG2-CB 4.13Å
82	L	96.5	Very high	90.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73.9	-33	-178.5	-64.8	-175.8	0	0	0	112.6	E78 T79 E80 L85 S86 I298 G299 V300 F308 H339	E78-L82 HydrophobicContact CG-CD1 3.8Å; E78-L82 HydrophobicContact CG-CG 3.94Å; E78-L82 WeakPolarHBondContact O-CB 3.47Å; E78-L82 WeakPolarHBondContact O-CG 3.48Å; E78-L82 PolarHBondContact O-N 3.49Å; T79-L82 PolarHBondContact O-N 3.39Å; E80-L82 PolarHBondContact O-N 3.38Å; L82-L85 HydrophobicContact CD2-CD1 4.19Å; L82-L85 PolarHBondContact O-N 3.01Å; L82-S86 WeakPolarHBondContact O-CB 3.16Å; L82-S86 PolarHBondContact O-N 3.29Å; L82-S86 PolarHBondContact O-OG 3.34Å; L82-I298 HydrophobicContact CB-CG2 3.59Å; L82-I298 HydrophobicContact CD1-CG2 3.81Å; L82-I298 HydrophobicContact CG-CG2 4.36Å; L82-G299 VanDerWaalsContact CD1-O 3.26Å; L82-G299 WeakPolarHBondContact CD1-O 3.45Å; L82-V300 HydrophobicContact CD1-CG2 3.84Å; L82-F308 HydrophobicContact CD2-CZ 4.48Å; L82-H339 HydrophobicContact CD2-CB 4.1Å
83	L	94.4	Very high	89.9	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-48.1	172.2	-73.9	173.4	0	0	0	110.7	T79 E80 L85 S86 Q87 V88 V117 Q120 V121 I298	T79-L83 HydrophobicContact CG2-CD1 3.76Å; T79-L83 HydrophobicContact CG2-CG 4.33Å; T79-L83 WeakPolarHBondContact O-CB 3.5Å; T79-L83 VanDerWaalsContact O-CG 3.23Å; T79-L83 WeakPolarHBondContact O-CG 2.71Å; T79-L83 PolarHBondContact O-N 2.96Å; E80-L83 PolarHBondContact O-N 3.36Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 2.94Å; L83-S86 PolarHBondContact O-N 3.23Å; L83-S86 VanDerWaalsContact O-N 3.15Å; L83-S86 PolarHBondContact O-OG 3.34Å; L83-Q87 PolarHBondContact O-N 3.09Å; L83-V88 HydrophobicContact CD2-CG2 4Å; L83-V117 HydrophobicContact CD1-CB 4.49Å; L83-V117 HydrophobicContact CD1-CG2 4.23Å; L83-Q120 HydrophobicContact CD1-CB 4.24Å; L83-V121 HydrophobicContact CD2-CG1 4.11Å; L83-I298 HydrophobicContact CD2-CD1 3.83Å
84	Q	94.2	Very high	88.6	Confident	107 Å²	107	34.9 Å²	34.9	50%	0.5	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-42.4	174.8	-71.6	172.8	-0.2	0	0	112.5	E80 S86 Q87	E80-Q84 VanDerWaalsContact O-CG 3.31Å; E80-Q84 WeakPolarHBondContact O-CG 3.28Å; E80-Q84 PolarHBondContact O-N 3.26Å; E80-Q84 VanDerWaalsContact O-N 3.09Å; Q84-S86 VanDerWaalsContact C-N 3.35Å; Q84-Q87 WeakPolarHBondContact O-CG 3.42Å
85	L	94.3	Very high	87.2	Confident	30 Å²	30	34.8 Å²	34.8	16%	0.157	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-34.9	177.5	-73.1	170.7	0	0	0	112.7	T81 L82 L83 P310 L311 G312	T81-L85 HydrophobicContact CG2-CD1 4.1Å; T81-L85 VanDerWaalsContact O-CG 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.12Å; T81-L85 PolarHBondContact O-N 2.91Å; L82-L85 HydrophobicContact CD2-CD1 4.19Å; L82-L85 PolarHBondContact O-N 3.01Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 2.94Å; L85-P310 CarbonylContact O-C 3.58Å; L85-P310 VanDerWaalsContact O-CA 3.25Å; L85-P310 WeakPolarHBondContact O-CA 3.24Å; L85-L311 PolarHBondContact O-N 3.39Å; L85-G312 WeakPolarHBondContact O-CA 3.3Å; L85-G312 PolarHBondContact O-N 2.93Å
86	S	93.3	Very high	85.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-77.6	-28.7	179.8	72.4	0	0	0	0	113.6	L82 L83 Q84 V88 I298 F308	L82-S86 WeakPolarHBondContact O-CB 3.16Å; L82-S86 PolarHBondContact O-N 3.29Å; L82-S86 PolarHBondContact O-OG 3.34Å; L83-S86 PolarHBondContact O-N 3.23Å; L83-S86 VanDerWaalsContact O-N 3.15Å; L83-S86 PolarHBondContact O-OG 3.34Å; Q84-S86 VanDerWaalsContact C-N 3.35Å; S86-V88 PolarHBondContact O-N 3.34Å; S86-V88 VanDerWaalsContact O-N 3.17Å; S86-V88 WeakPolarHBondContact OG-CG2 3.49Å; S86-V88 PolarHBondContact OG-N 2.91Å; S86-I298 WeakPolarHBondContact OG-CD1 3.3Å; S86-F308 VanDerWaalsContact CB-CD2 3.5Å
87	Q	91.2	Very high	83.9	Confident	111 Å²	111	34.6 Å²	34.6	52%	0.519	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	26.6	-168.9	-56	-165.9	52.1	0	0	114.9	L83 Q84 S89 L311 G312	L83-Q87 PolarHBondContact O-N 3.09Å; Q84-Q87 WeakPolarHBondContact O-CG 3.42Å; Q87-S89 PolarHBondContact O-N 2.89Å; Q87-L311 HydrophobicContact CB-CB 3.96Å; Q87-L311 HydrophobicContact CB-CD1 4.37Å; Q87-L311 HydrophobicContact CG-CB 4.04Å; Q87-L311 PolarHBondContact NE2-O 2.78Å; Q87-G312 VanDerWaalsContact NE2-CA 3.28Å
88	V	88.7	Confident	81.8	Confident	6 Å²	6	29.2 Å²	29.2	4%	0.036	15%	0.145	C	C	.	.			trans	-63.8	138	174.3	-61.6	0	0	0	0	109.6	A40 L83 S86 V121 I298	A40-V88 HydrophobicContact CB-CB 4.4Å; A40-V88 HydrophobicContact CB-CG1 3.84Å; A40-V88 HydrophobicContact CB-CG2 4.36Å; L83-V88 HydrophobicContact CD2-CG2 4Å; S86-V88 PolarHBondContact O-N 3.34Å; S86-V88 VanDerWaalsContact O-N 3.17Å; S86-V88 WeakPolarHBondContact OG-CG2 3.49Å; S86-V88 PolarHBondContact OG-N 2.91Å; V88-V121 HydrophobicContact CG2-CG1 4.12Å; V88-V121 WeakPolarHBondContact O-CG1 3.43Å; V88-I298 HydrophobicContact CG2-CD1 4.16Å
89	S	80.3	Confident	80.1	Confident	57 Å²	57	29.5 Å²	29.5	40%	0.399	15%	0.148	S	C	.	.			trans	-100	-22	-176.6	-63.8	0	0	0	0	112.5	E38 Q87 N122	E38-S89 PolarHBondContact O-N 3.37Å; Q87-S89 PolarHBondContact O-N 2.89Å; S89-N122 PolarHBondContact O-N 3.06Å; S89-N122 PolarHBondContact O-ND2 3.42Å
90	W	73.5	Confident	79.3	Confident	116 Å²	116	30.1 Å²	30.1	44%	0.439	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.1	-176.5	-75	93.6	0	0	0	111.5	E38 Q39 A40 N122	E38-W90 PolarHBondContact O-N 3.27Å; Q39-W90 WeakPolarHBondContact CA-O 3.27Å; Q39-W90 HydrophobicContact CG-CB 3.65Å; A40-W90 PolarHBondContact N-O 2.9Å; W90-N122 HydrophobicContact CD2-CB 3.96Å; W90-N122 HydrophobicContact CE3-CB 3.71Å; W90-N122 HydrophobicContact CH2-CB 4.16Å; W90-N122 HydrophobicContact CZ2-CB 4.38Å; W90-N122 HydrophobicContact CZ3-CB 3.83Å
91	Y	73.6	Confident	78.9	Confident	2 Å²	2	28 Å²	28	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.2	179.7	-165.9	-104.6	0	0	0	110.9	A40 L42 N93 S94 V117 V121 N122 L123 S124 V127	A40-Y91 WeakPolarHBondContact O-CD2 3.32Å; L42-Y91 WeakPolarHBondContact CA-OH 3.25Å; L42-Y91 HydrophobicContact CB-CE2 3.44Å; L42-Y91 VanDerWaalsContact CB-CE2 3.44Å; L42-Y91 WeakPolarHBondContact CB-OH 3.41Å; L42-Y91 HydrophobicContact CD2-CE2 4.45Å; L42-Y91 WeakPolarHBondContact CD2-OH 3.45Å; L42-Y91 PolarHBondContact N-OH 3.42Å; L42-Y91 PolarHBondContact O-OH 3.04Å; Y91-N93 VanDerWaalsContact CE1-O 3.3Å; Y91-N93 WeakPolarHBondContact CE1-O 3.46Å; Y91-N93 PolarHBondContact OH-O 3.43Å; Y91-S94 WeakPolarHBondContact OH-CA 3.3Å; Y91-S94 WeakPolarHBondContact OH-CB 3.3Å; Y91-S94 PolarHBondContact OH-N 2.98Å; Y91-S94 PolarHBondContact OH-OG 3.42Å; Y91-S94 VanDerWaalsContact OH-OG 3.12Å; Y91-V117 HydrophobicContact CD1-CG1 4.01Å; Y91-V117 HydrophobicContact CD2-CG1 4.18Å; Y91-V117 HydrophobicContact CE1-CG1 4.29Å; Y91-V117 HydrophobicContact CG-CG1 3.89Å; Y91-V121 HydrophobicContact CG-CG2 4.31Å; Y91-N122 PolarHBondContact N-O 3.47Å; Y91-L123 HydrophobicContact CD1-CD2 3.62Å; Y91-L123 HydrophobicContact CG-CD2 4.05Å; Y91-S124 PolarHBondContact O-N 3.1Å; Y91-V127 HydrophobicContact CD1-CG2 4.04Å; Y91-V127 HydrophobicContact CE1-CG2 4.26Å
92	V	62.8	Low	78.6	Confident	32 Å²	32	27.5 Å²	27.5	19%	0.194	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-38.7	-168.1	-173.4	0	0	0	0	111.9	Q39 A40	Q39-V92 HydrophobicContact CB-CG2 3.79Å; Q39-V92 HydrophobicContact CG-CG2 3.84Å; A40-V92 PolarHBondContact O-N 3.32Å
93	N	72.8	Confident	78.4	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	148.1	176.9	53.5	71.6	0	0	0	112.2	S41 L42 Y91 E128 R286	S41-N93 WeakPolarHBondContact CA-O 3.29Å; S41-N93 WeakPolarHBondContact CB-OD1 3.5Å; S41-N93 VanDerWaalsContact OG-CG 3.27Å; S41-N93 PolarHBondContact OG-ND2 3Å; S41-N93 PolarHBondContact OG-OD1 3.08Å; L42-N93 PolarHBondContact N-O 3.27Å; L42-N93 VanDerWaalsContact N-O 3.15Å; Y91-N93 VanDerWaalsContact CE1-O 3.3Å; Y91-N93 WeakPolarHBondContact CE1-O 3.46Å; Y91-N93 PolarHBondContact OH-O 3.43Å; N93-E128 CarbonylContact C-O 3.53Å; N93-E128 WeakPolarHBondContact CA-O 3.27Å; N93-E128 HydrophobicContact CB-CB 4.02Å; N93-R286 HydrophobicContact CB-CB 4.29Å; N93-R286 PolarHBondContact ND2-O 3.22Å; N93-R286 VanDerWaalsContact ND2-O 3.1Å
94	S	68.8	Low	78.2	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138	170.7	-155.3	0	0	0	0	111.6	Y91 E128 V129 T130	Y91-S94 WeakPolarHBondContact OH-CA 3.3Å; Y91-S94 WeakPolarHBondContact OH-CB 3.3Å; Y91-S94 PolarHBondContact OH-N 2.98Å; Y91-S94 PolarHBondContact OH-OG 3.42Å; Y91-S94 VanDerWaalsContact OH-OG 3.12Å; S94-E128 PolarHBondContact N-O 3.49Å; S94-E128 VanDerWaalsContact O-O 3.12Å; S94-V129 WeakPolarHBondContact O-CA 3.46Å; S94-T130 PolarHBondContact O-N 2.97Å
95	F	69.1	Low	78.1	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	115.3	179.1	-160.3	-106.9	0	0	0	109.8	L42 Y43 V44 Q97 T130 H287	L42-F95 PolarHBondContact O-N 3.28Å; Y43-F95 WeakPolarHBondContact CA-O 3.11Å; Y43-F95 HydrophobicContact CD2-CD1 4.48Å; V44-F95 PolarHBondContact N-O 3.02Å; F95-Q97 HydrophobicContact CD1-CB 3.25Å; F95-Q97 HydrophobicContact CD1-CG 4.25Å; F95-Q97 HydrophobicContact CE1-CB 3.05Å; F95-Q97 HydrophobicContact CE1-CG 3.74Å; F95-Q97 HydrophobicContact CG-CB 4.44Å; F95-Q97 HydrophobicContact CZ-CB 4.04Å; F95-Q97 PolarHBondContact O-N 3.45Å; F95-T130 HydrophobicContact CD2-CG2 3.86Å; F95-T130 HydrophobicContact CE2-CG2 3.39Å; F95-T130 HydrophobicContact CZ-CG2 4.27Å; F95-H287 HydrophobicContact CB-CB 3.86Å; F95-H287 WeakPolarHBondContact CB-CE1 3.46Å; F95-H287 WeakPolarHBondContact CB-ND1 3.48Å; F95-H287 HydrophobicContact CD1-CB 4.32Å; F95-H287 AromaticContact CD1-CD2 2.95Å; F95-H287 WeakPolarHBondContact CD1-CD2 3.4Å; F95-H287 AromaticContact CD1-CE1 3.62Å; F95-H287 AromaticContact CD1-CG 3.55Å; F95-H287 AromaticContact CD1-ND1 3.98Å; F95-H287 AromaticContact CD1-NE2 2.96Å; F95-H287 WeakPolarHBondContact CD1-NE2 3.38Å; F95-H287 HydrophobicContact CD2-CB 3.4Å; F95-H287 AromaticContact CD2-CD2 3.67Å; F95-H287 AromaticContact CD2-CG 3.52Å; F95-H287 AromaticContact CE1-CD2 3.25Å; F95-H287 WeakPolarHBondContact CE1-CD2 3.28Å; F95-H287 AromaticContact CE1-NE2 3.6Å; F95-H287 HydrophobicContact CE2-CB 3.99Å; F95-H287 HydrophobicContact CG-CB 3.67Å; F95-H287 AromaticContact CG-CD2 3.18Å; F95-H287 WeakPolarHBondContact CG-CD2 3.41Å; F95-H287 AromaticContact CG-CE1 3.65Å; F95-H287 AromaticContact CG-CG 3.22Å; F95-H287 AromaticContact CG-ND1 3.59Å; F95-H287 AromaticContact CG-NE2 3.43Å; F95-H287 WeakPolarHBondContact CG-NE2 3.48Å; F95-H287 AromaticContact CZ-CD2 3.89Å
96	S	61.9	Low	78.1	Confident	8 Å²	8	26.9 Å²	26.9	6%	0.056	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	85.4	172	-64.7	0	0	0	0	108.2	T130 E132	S96-T130 PolarHBondContact N-O 3.42Å; S96-E132 PolarHBondContact O-N 3.11Å
97	Q	61	Low	78.2	Confident	48 Å²	48	27.4 Å²	27.4	22%	0.224	14%	0.143	C	C	.	.			trans	-115.3	155.1	174.6	153.3	173.8	82.4	0	0	111	Y43 F95 E132	Y43-Q97 HydrophobicContact CD2-CB 4.41Å; Y43-Q97 HydrophobicContact CE2-CB 3.74Å; Y43-Q97 HydrophobicContact CE2-CG 3.91Å; Y43-Q97 WeakPolarHBondContact CE2-O 3.22Å; Y43-Q97 PolarHBondContact OH-O 2.82Å; F95-Q97 HydrophobicContact CD1-CB 3.25Å; F95-Q97 HydrophobicContact CD1-CG 4.25Å; F95-Q97 HydrophobicContact CE1-CB 3.05Å; F95-Q97 HydrophobicContact CE1-CG 3.74Å; F95-Q97 HydrophobicContact CG-CB 4.44Å; F95-Q97 HydrophobicContact CZ-CB 4.04Å; F95-Q97 PolarHBondContact O-N 3.45Å; Q97-E132 HydrophobicContact CB-CG 4.05Å; Q97-E132 WeakPolarHBondContact CB-OE1 3.43Å; Q97-E132 WeakPolarHBondContact CG-OE1 3.03Å; Q97-E132 PolarHBondContact NE2-OE1 2.97Å
98	G	52.9	Low	78.4	Confident	6 Å²	6	24.1 Å²	24.1	6%	0.062	13%	0.133	C	C	.	.	S	Bend	trans	91.2	150.2	138.6	0	0	0	0	0	115.7	Y43 H45 G100 E132	Y43-G98 WeakPolarHBondContact OH-CA 3.42Å; H45-G98 PolarHBondContact CE1-O 3.08Å; H45-G98 PolarHBondContact ND1-O 2.89Å; G98-G100 PolarHBondContact O-N 3.27Å; G98-E132 PolarHBondContact N-OE2 3.26Å
99	G	63.1	Low	78.6	Confident	5 Å²	5	24 Å²	24	5%	0.052	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	84.5	-91	-165.5	0	0	0	0	0	111.2	H45 N59 K60	H45-G99 WeakPolarHBondContact CE1-CA 3.29Å; H45-G99 PolarHBondContact CE1-N 3.13Å; H45-G99 WeakPolarHBondContact NE2-CA 3.32Å; N59-G99 CarbonylContact O-C 3.36Å; N59-G99 WeakPolarHBondContact O-CA 3.48Å; K60-G99 VanDerWaalsContact CB-O 3.28Å; K60-G99 WeakPolarHBondContact CB-O 3.35Å
100	G	78.6	Confident	79.2	Confident	13 Å²	13	21.9 Å²	21.9	13%	0.134	12%	0.116	C	C	.	.	S	Bend	trans	-92.4	-132.6	-173	0	0	0	0	0	114.1	W46 Y48 C49 G98	W46-G100 WeakPolarHBondContact O-CA 3.33Å; W46-G100 PolarHBondContact O-N 2.77Å; Y48-G100 CarbonylContact O-C 3.53Å; Y48-G100 WeakPolarHBondContact O-CA 3.37Å; C49-G100 WeakPolarHBondContact SG-CA 3.44Å; G98-G100 PolarHBondContact O-N 3.27Å
101	T	89.5	Confident	80.1	Confident	17 Å²	17	18 Å²	18	10%	0.104	11%	0.108	C	C	.	.			trans	-130.3	91.4	179.1	-56	0	0	0	0	108.7	W46 Y48 C49 S103 L104 N134	W46-T101 VanDerWaalsContact CD1-O 3.25Å; W46-T101 PolarHBondContact NE1-O 2.78Å; Y48-T101 PolarHBondContact O-N 3.44Å; C49-T101 PolarHBondContact SG-OG1 2.83Å; C49-T101 VanDerWaalsContact SG-OG1 3.38Å; T101-S103 WeakPolarHBondContact CG2-OG 3.32Å; T101-S103 PolarHBondContact O-N 3.26Å; T101-S103 VanDerWaalsContact O-N 3.16Å; T101-L104 HydrophobicContact CG2-CD1 4.19Å; T101-L104 HydrophobicContact CG2-CG 3.78Å; T101-L104 VanDerWaalsContact O-CB 3.29Å; T101-L104 WeakPolarHBondContact O-CB 3.48Å; T101-L104 WeakPolarHBondContact O-CG 3.46Å; T101-L104 PolarHBondContact O-N 2.95Å; T101-N134 HydrophobicContact CG2-CB 3.42Å; T101-N134 VanDerWaalsContact CG2-CB 3.42Å
102	P	91.1	Very high	81.1	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.032	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-53.9	-34.4	-176.5	-28.8	36.5	0	0	0	113.7	W46 L104 A105 L131 E132 Y146	W46-P102 HydrophobicContact CB-CB 4.28Å; W46-P102 HydrophobicContact CB-CG 4.18Å; P102-L104 PolarHBondContact O-N 3.45Å; P102-A105 VanDerWaalsContact O-CB 3.29Å; P102-A105 WeakPolarHBondContact O-CB 3.47Å; P102-A105 PolarHBondContact O-N 2.94Å; P102-L131 HydrophobicContact CB-CD1 3.65Å; P102-L131 HydrophobicContact CB-CG 4.49Å; P102-E132 HydrophobicContact CG-CB 4.15Å; P102-Y146 PolarHBondContact O-OH 3.27Å
103	S	91.9	Very high	82.5	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.007	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.1	-8.1	175.3	65.6	0	0	0	0	115.5	T101 E132 N134 Y146	T101-S103 WeakPolarHBondContact CG2-OG 3.32Å; T101-S103 PolarHBondContact O-N 3.26Å; T101-S103 VanDerWaalsContact O-N 3.16Å; S103-E132 PolarHBondContact N-O 3.22Å; S103-N134 PolarHBondContact OG-N 3.09Å; S103-Y146 VanDerWaalsContact CA-OH 3.3Å; S103-Y146 WeakPolarHBondContact CA-OH 3.35Å; S103-Y146 PolarHBondContact O-OH 3.15Å
104	L	90.7	Very high	83.4	Confident	28 Å²	28	21.5 Å²	21.5	15%	0.147	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-77.9	-25.2	170.1	-65	176.9	0	0	0	113.2	L50 T101 P102 K142	L50-L104 HydrophobicContact CD1-CD2 3.79Å; L50-L104 HydrophobicContact CD2-CD1 4.15Å; L50-L104 HydrophobicContact CD2-CD2 4.17Å; L50-L104 HydrophobicContact CG-CD1 3.77Å; L50-L104 HydrophobicContact CG-CD2 3.74Å; L50-L104 HydrophobicContact CG-CG 4.42Å; T101-L104 HydrophobicContact CG2-CD1 4.19Å; T101-L104 HydrophobicContact CG2-CG 3.78Å; T101-L104 VanDerWaalsContact O-CB 3.29Å; T101-L104 WeakPolarHBondContact O-CB 3.48Å; T101-L104 WeakPolarHBondContact O-CG 3.46Å; T101-L104 PolarHBondContact O-N 2.95Å; P102-L104 PolarHBondContact O-N 3.45Å; L104-K142 PolarHBondContact O-NZ 3.29Å
105	A	91.8	Very high	84.6	Confident	2 Å²	2	25.7 Å²	25.7	2%	0.017	14%	0.141	C	C	.	.	S	Bend	trans	-58.6	164.9	178.5	0	0	0	0	0	111.4	W46 E68 P102 K142 Y146	W46-A105 HydrophobicContact CD2-CB 4.04Å; W46-A105 HydrophobicContact CE3-CB 3.9Å; W46-A105 HydrophobicContact CH2-CB 3.83Å; W46-A105 HydrophobicContact CZ2-CB 3.98Å; W46-A105 HydrophobicContact CZ3-CB 3.79Å; E68-A105 VanDerWaalsContact OE1-CA 3.25Å; E68-A105 WeakPolarHBondContact OE1-CA 3.34Å; P102-A105 VanDerWaalsContact O-CB 3.29Å; P102-A105 WeakPolarHBondContact O-CB 3.47Å; P102-A105 PolarHBondContact O-N 2.94Å; A105-K142 PolarHBondContact O-NZ 3.32Å; A105-Y146 PolarHBondContact O-OH 3.22Å
106	H	93.8	Very high	85.7	Confident	98 Å²	98	26 Å²	26	45%	0.454	14%	0.144	S	C	.	.			trans	-79.9	134.9	170.6	-166.2	-84.4	0	0	0	107.4	E68 S108 T109	E68-H106 WeakPolarHBondContact OE1-CB 3.42Å; E68-H106 PolarHBondContact OE1-N 3.03Å; H106-S108 VanDerWaalsContact ND1-CB 3.35Å; H106-S108 WeakPolarHBondContact ND1-CB 3.45Å; H106-S108 PolarHBondContact ND1-N 2.95Å; H106-S108 VanDerWaalsContact ND1-N 3.18Å; H106-S108 PolarHBondContact ND1-OG 3.46Å; H106-S108 PolarHBondContact O-N 3.46Å; H106-T109 WeakPolarHBondContact O-CB 3.25Å; H106-T109 PolarHBondContact O-N 2.89Å; H106-T109 PolarHBondContact O-OG1 2.7Å
107	P	94.9	Very high	87.1	Confident	10 Å²	10	25.7 Å²	25.7	7%	0.065	14%	0.141	C	C	.	.	H	α-helix	trans	-52.5	-32.7	178.7	-29.3	35.4	0	0	0	113.7	T109 I110 A111 K142 D145 Y146 A149	P107-T109 PolarHBondContact O-N 3.49Å; P107-I110 PolarHBondContact O-N 3.24Å; P107-I110 VanDerWaalsContact O-N 3.16Å; P107-A111 PolarHBondContact O-N 3.46Å; P107-A111 VanDerWaalsContact O-N 3.08Å; P107-K142 HydrophobicContact CG-CB 4.45Å; P107-D145 HydrophobicContact CB-CB 3.83Å; P107-D145 HydrophobicContact CG-CB 3.55Å; P107-Y146 HydrophobicContact CB-CD1 3.91Å; P107-Y146 HydrophobicContact CB-CE1 4.1Å; P107-Y146 HydrophobicContact CG-CD1 4.02Å; P107-Y146 HydrophobicContact CG-CE1 3.92Å; P107-Y146 HydrophobicContact CG-CG 4.41Å; P107-A149 HydrophobicContact CB-CB 4.45Å
108	S	94.7	Very high	88.5	Confident	43 Å²	43	26.3 Å²	26.3	30%	0.301	15%	0.151	S	C	.	.	H	α-helix	trans	-63.4	-23	174.9	73.4	0	0	0	0	114.4	H106 K112	H106-S108 VanDerWaalsContact ND1-CB 3.35Å; H106-S108 WeakPolarHBondContact ND1-CB 3.45Å; H106-S108 PolarHBondContact ND1-N 2.95Å; H106-S108 VanDerWaalsContact ND1-N 3.18Å; H106-S108 PolarHBondContact ND1-OG 3.46Å; H106-S108 PolarHBondContact O-N 3.46Å; S108-K112 WeakPolarHBondContact O-CB 3.42Å; S108-K112 WeakPolarHBondContact O-CD 3.33Å; S108-K112 WeakPolarHBondContact O-CG 3.13Å; S108-K112 PolarHBondContact O-N 3.21Å
109	T	93.4	Very high	90.4	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-47.7	172.3	-61.6	0	0	0	0	110.2	A72 L75 H106 P107 K112 I113	A72-T109 HydrophobicContact CB-CG2 3.71Å; A72-T109 WeakPolarHBondContact CB-OG1 3.34Å; L75-T109 HydrophobicContact CD1-CG2 4.32Å; H106-T109 WeakPolarHBondContact O-CB 3.25Å; H106-T109 PolarHBondContact O-N 2.89Å; H106-T109 PolarHBondContact O-OG1 2.7Å; P107-T109 PolarHBondContact O-N 3.49Å; T109-K112 PolarHBondContact O-N 3.06Å; T109-I113 HydrophobicContact CG2-CD1 4.15Å; T109-I113 WeakPolarHBondContact O-CG1 3.44Å; T109-I113 PolarHBondContact O-N 3.47Å; T109-I113 VanDerWaalsContact O-N 3.13Å
110	I	92.9	Very high	91.7	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-47	177.7	-54.2	-55.9	0	0	0	110.1	P107 K112 I113 L114 L131 Y146 V151	P107-I110 PolarHBondContact O-N 3.24Å; P107-I110 VanDerWaalsContact O-N 3.16Å; I110-K112 VanDerWaalsContact C-N 3.33Å; I110-K112 PolarHBondContact O-N 3.19Å; I110-I113 PolarHBondContact O-N 2.99Å; I110-I113 VanDerWaalsContact O-N 3.15Å; I110-L114 HydrophobicContact CG2-CD1 3.92Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 2.95Å; I110-L131 HydrophobicContact CD1-CD1 4.27Å; I110-L131 HydrophobicContact CG1-CD1 4.49Å; I110-Y146 HydrophobicContact CG1-CD1 4.2Å; I110-Y146 HydrophobicContact CG1-CE1 4.08Å; I110-V151 HydrophobicContact CG2-CG2 4.03Å
111	A	93.7	Very high	92.2	Very high	34 Å²	34	35.3 Å²	35.3	28%	0.281	19%	0.185	S	C	.	.	H	α-helix	trans	-55.6	-45.7	177.7	0	0	0	0	0	112.4	P107 I113 L114 E115 A149	P107-A111 PolarHBondContact O-N 3.46Å; P107-A111 VanDerWaalsContact O-N 3.08Å; A111-I113 PolarHBondContact O-N 2.79Å; A111-L114 PolarHBondContact O-N 3.25Å; A111-E115 VanDerWaalsContact O-CB 3.31Å; A111-E115 WeakPolarHBondContact O-CB 3.4Å; A111-E115 PolarHBondContact O-N 3.39Å; A111-A149 HydrophobicContact CB-CB 3.94Å
112	K	93.2	Very high	92.1	Very high	82 Å²	82	38.8 Å²	38.8	36%	0.357	20%	0.203	S	C	.	.	H	α-helix	trans	-65.3	-36.5	178.9	-75.7	169.1	-177.6	172.3	0	112.9	S108 T109 I110 T116	S108-K112 WeakPolarHBondContact O-CB 3.42Å; S108-K112 WeakPolarHBondContact O-CD 3.33Å; S108-K112 WeakPolarHBondContact O-CG 3.13Å; S108-K112 PolarHBondContact O-N 3.21Å; T109-K112 PolarHBondContact O-N 3.06Å; I110-K112 VanDerWaalsContact C-N 3.33Å; I110-K112 PolarHBondContact O-N 3.19Å; K112-T116 WeakPolarHBondContact O-CB 3.47Å; K112-T116 PolarHBondContact O-N 3.29Å; K112-T116 PolarHBondContact O-OG1 2.64Å
113	I	92.8	Very high	91.8	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-49.8	176.2	-68.1	167.9	0	0	0	109.3	L42 V44 L75 T79 T109 I110 A111 E115 T116 V117	L42-I113 HydrophobicContact CD2-CG2 4.39Å; V44-I113 HydrophobicContact CG1-CD1 3.91Å; V44-I113 HydrophobicContact CG2-CG2 4.2Å; L75-I113 HydrophobicContact CB-CD1 3.92Å; L75-I113 HydrophobicContact CB-CG1 4.47Å; L75-I113 HydrophobicContact CD1-CD1 4.27Å; T79-I113 HydrophobicContact CG2-CG2 4.44Å; T109-I113 HydrophobicContact CG2-CD1 4.15Å; T109-I113 WeakPolarHBondContact O-CG1 3.44Å; T109-I113 PolarHBondContact O-N 3.47Å; T109-I113 VanDerWaalsContact O-N 3.13Å; I110-I113 PolarHBondContact O-N 2.99Å; I110-I113 VanDerWaalsContact O-N 3.15Å; A111-I113 PolarHBondContact O-N 2.79Å; I113-E115 VanDerWaalsContact C-N 3.32Å; I113-E115 PolarHBondContact O-N 3Å; I113-T116 WeakPolarHBondContact O-CA 3.2Å; I113-T116 WeakPolarHBondContact O-CB 3.31Å; I113-T116 PolarHBondContact O-N 3.24Å; I113-V117 WeakPolarHBondContact O-CG2 3.36Å; I113-V117 PolarHBondContact O-N 3.03Å
114	L	92.1	Very high	91.2	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.131	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-40.7	177.9	-66.3	173	0	0	0	112.1	I110 A111 T116 V117 S118 V129 A149	I110-L114 HydrophobicContact CG2-CD1 3.92Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 2.95Å; A111-L114 PolarHBondContact O-N 3.25Å; L114-T116 VanDerWaalsContact C-N 3.29Å; L114-T116 PolarHBondContact O-N 3.06Å; L114-V117 PolarHBondContact O-N 3.2Å; L114-S118 WeakPolarHBondContact O-CB 3.19Å; L114-S118 PolarHBondContact O-N 3.16Å; L114-V129 HydrophobicContact CD1-CG1 3.98Å; L114-V129 HydrophobicContact CD2-CG1 4.17Å; L114-V129 HydrophobicContact CD2-CG2 4.11Å; L114-A149 WeakPolarHBondContact CD1-O 3.5Å
115	E	92.4	Very high	90.6	Very high	90 Å²	90	50.5 Å²	50.5	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-42.5	172.7	-174.1	-171.2	176	0	0	111.1	A111 I113 S118 K119	A111-E115 VanDerWaalsContact O-CB 3.31Å; A111-E115 WeakPolarHBondContact O-CB 3.4Å; A111-E115 PolarHBondContact O-N 3.39Å; I113-E115 VanDerWaalsContact C-N 3.32Å; I113-E115 PolarHBondContact O-N 3Å; E115-S118 WeakPolarHBondContact CA-OG 3.5Å; E115-S118 PolarHBondContact O-N 3.41Å; E115-S118 PolarHBondContact O-OG 2.88Å; E115-K119 HydrophobicContact CG-CD 4.46Å; E115-K119 WeakPolarHBondContact O-CG 3.35Å; E115-K119 PolarHBondContact O-N 3.47Å; E115-K119 VanDerWaalsContact O-N 3.13Å; E115-K119 VanDerWaalsContact OE1-CE 3.29Å; E115-K119 WeakPolarHBondContact OE1-CE 3.38Å; E115-K119 IonicContact OE1-NZ 3.9Å; E115-K119 PolarHBondContact OE1-NZ 3.27Å
116	T	92.4	Very high	90.2	Very high	11 Å²	11	56.8 Å²	56.8	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-41.5	178.7	-56.1	0	0	0	0	111.9	Q76 T79 E80 K112 I113 L114 K119	Q76-T116 HydrophobicContact CG-CG2 4.16Å; Q76-T116 WeakPolarHBondContact CG-OG1 3.29Å; Q76-T116 PolarHBondContact NE2-OG1 2.78Å; T79-T116 HydrophobicContact CG2-CG2 4.37Å; E80-T116 HydrophobicContact CB-CG2 4.07Å; K112-T116 WeakPolarHBondContact O-CB 3.47Å; K112-T116 PolarHBondContact O-N 3.29Å; K112-T116 PolarHBondContact O-OG1 2.64Å; I113-T116 WeakPolarHBondContact O-CA 3.2Å; I113-T116 WeakPolarHBondContact O-CB 3.31Å; I113-T116 PolarHBondContact O-N 3.24Å; L114-T116 VanDerWaalsContact C-N 3.29Å; L114-T116 PolarHBondContact O-N 3.06Å; T116-K119 PolarHBondContact O-N 3.08Å
117	V	91.9	Very high	89.9	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-50.8	173.4	179.3	0	0	0	0	109.5	L42 T79 L83 Y91 I113 L114 K119 Q120 V121 L123	L42-V117 HydrophobicContact CD2-CG2 3.69Å; T79-V117 HydrophobicContact CG2-CG2 3.83Å; L83-V117 HydrophobicContact CD1-CB 4.49Å; L83-V117 HydrophobicContact CD1-CG2 4.23Å; Y91-V117 HydrophobicContact CD1-CG1 4.01Å; Y91-V117 HydrophobicContact CD2-CG1 4.18Å; Y91-V117 HydrophobicContact CE1-CG1 4.29Å; Y91-V117 HydrophobicContact CG-CG1 3.89Å; I113-V117 WeakPolarHBondContact O-CG2 3.36Å; I113-V117 PolarHBondContact O-N 3.03Å; L114-V117 PolarHBondContact O-N 3.2Å; V117-K119 PolarHBondContact O-N 3.45Å; V117-K119 VanDerWaalsContact O-N 3.09Å; V117-Q120 PolarHBondContact O-N 3.31Å; V117-V121 HydrophobicContact CG1-CG2 3.43Å; V117-V121 VanDerWaalsContact CG1-CG2 3.43Å; V117-V121 WeakPolarHBondContact O-CG2 3.42Å; V117-V121 PolarHBondContact O-N 3.18Å; V117-L123 HydrophobicContact CG1-CD2 3.68Å
118	S	91.4	Very high	89.8	Confident	61 Å²	61	53.3 Å²	53.3	43%	0.427	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-25.2	-177.9	75	0	0	0	0	114.5	L114 E115	L114-S118 WeakPolarHBondContact O-CB 3.19Å; L114-S118 PolarHBondContact O-N 3.16Å; E115-S118 WeakPolarHBondContact CA-OG 3.5Å; E115-S118 PolarHBondContact O-N 3.41Å; E115-S118 PolarHBondContact O-OG 2.88Å
119	K	92.6	Very high	89.8	Confident	140 Å²	140	51.5 Å²	51.5	61%	0.609	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-17.6	177.6	-75.3	172.6	-177.3	169.6	0	113.7	E115 T116 V117	E115-K119 HydrophobicContact CG-CD 4.46Å; E115-K119 WeakPolarHBondContact O-CG 3.35Å; E115-K119 PolarHBondContact O-N 3.47Å; E115-K119 VanDerWaalsContact O-N 3.13Å; E115-K119 VanDerWaalsContact OE1-CE 3.29Å; E115-K119 WeakPolarHBondContact OE1-CE 3.38Å; E115-K119 IonicContact OE1-NZ 3.9Å; E115-K119 PolarHBondContact OE1-NZ 3.27Å; T116-K119 PolarHBondContact O-N 3.08Å; V117-K119 PolarHBondContact O-N 3.45Å; V117-K119 VanDerWaalsContact O-N 3.09Å
120	Q	90.1	Very high	89.9	Confident	64 Å²	64	51.4 Å²	51.4	30%	0.299	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-28.2	-172.1	-66.8	-172.6	42.2	0	0	113.3	E80 L83 V117	E80-Q120 VanDerWaalsContact CG-NE2 3.33Å; E80-Q120 PolarHBondContact O-OE1 2.97Å; L83-Q120 HydrophobicContact CD1-CB 4.24Å; V117-Q120 PolarHBondContact O-N 3.31Å
121	V	88.1	Confident	90	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	27%	0.266	C	S	.	.	S	Bend	trans	-138.5	151.6	-173.7	-55.9	0	0	0	0	110.8	L83 V88 Y91 V117 L123	L83-V121 HydrophobicContact CD2-CG1 4.11Å; V88-V121 HydrophobicContact CG2-CG1 4.12Å; V88-V121 WeakPolarHBondContact O-CG1 3.43Å; Y91-V121 HydrophobicContact CG-CG2 4.31Å; V117-V121 HydrophobicContact CG1-CG2 3.43Å; V117-V121 VanDerWaalsContact CG1-CG2 3.43Å; V117-V121 WeakPolarHBondContact O-CG2 3.42Å; V117-V121 PolarHBondContact O-N 3.18Å; V121-L123 PolarHBondContact O-N 2.67Å
122	N	87.6	Confident	90.1	Very high	90 Å²	90	50.8 Å²	50.8	48%	0.481	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.6	175.3	-63.9	-51.1	0	0	0	109.6	S89 W90 Y91	S89-N122 PolarHBondContact O-N 3.06Å; S89-N122 PolarHBondContact O-ND2 3.42Å; W90-N122 HydrophobicContact CD2-CB 3.96Å; W90-N122 HydrophobicContact CE3-CB 3.71Å; W90-N122 HydrophobicContact CH2-CB 4.16Å; W90-N122 HydrophobicContact CZ2-CB 4.38Å; W90-N122 HydrophobicContact CZ3-CB 3.83Å; Y91-N122 PolarHBondContact N-O 3.47Å
123	L	85	Confident	90.2	Very high	63 Å²	63	47.1 Å²	47.1	33%	0.33	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.8	172	-61.5	-179.5	0	0	0	109.2	Y91 V117 V121	Y91-L123 HydrophobicContact CD1-CD2 3.62Å; Y91-L123 HydrophobicContact CG-CD2 4.05Å; V117-L123 HydrophobicContact CG1-CD2 3.68Å; V121-L123 PolarHBondContact O-N 2.67Å
124	S	80.3	Confident	90.2	Very high	45 Å²	45	47.4 Å²	47.4	32%	0.315	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	142.2	165.7	-179.2	0	0	0	0	110.4	Y91 E126 V127	Y91-S124 PolarHBondContact O-N 3.1Å; S124-E126 PolarHBondContact O-N 3.06Å; S124-E126 VanDerWaalsContact O-N 3.16Å; S124-E126 PolarHBondContact OG-N 3.38Å; S124-V127 VanDerWaalsContact O-CB 3.29Å; S124-V127 WeakPolarHBondContact O-CB 3.38Å; S124-V127 WeakPolarHBondContact O-CG1 3.39Å; S124-V127 PolarHBondContact O-N 3.09Å
125	D	77.6	Confident	90.3	Very high	173 Å²	173	46.2 Å²	46.2	93%	0.925	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	-22	171.6	-67.3	-33.5	0	0	0	112.1
126	E	82.8	Confident	90.4	Very high	134 Å²	134	42.4 Å²	42.4	63%	0.626	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	21	177.2	-58.9	-174.8	-176.4	0	0	113	S124 E128 R286	S124-E126 PolarHBondContact O-N 3.06Å; S124-E126 VanDerWaalsContact O-N 3.16Å; S124-E126 PolarHBondContact OG-N 3.38Å; E126-E128 PolarHBondContact O-N 3.37Å; E126-R286 PolarHBondContact O-NH1 3.27Å; E126-R286 IonicContact OE2-NH2 3.91Å; E126-R286 PolarHBondContact OE2-NH2 3.25Å
127	V	88	Confident	90.4	Very high	24 Å²	24	45.5 Å²	45.5	15%	0.145	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	124.1	-178.6	65.8	0	0	0	0	110.7	Y91 S124 V129 N152	Y91-V127 HydrophobicContact CD1-CG2 4.04Å; Y91-V127 HydrophobicContact CE1-CG2 4.26Å; S124-V127 VanDerWaalsContact O-CB 3.29Å; S124-V127 WeakPolarHBondContact O-CB 3.38Å; S124-V127 WeakPolarHBondContact O-CG1 3.39Å; S124-V127 PolarHBondContact O-N 3.09Å; V127-V129 HydrophobicContact CG1-CG2 4.38Å; V127-V129 HydrophobicContact CG2-CG2 4.4Å; V127-N152 PolarHBondContact O-ND2 3Å
128	E	92.9	Very high	90.3	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.2	169.6	-179.7	-173.2	104.9	0	0	108.6	N93 S94 E126 T130 R153 R286 H287	N93-E128 CarbonylContact C-O 3.53Å; N93-E128 WeakPolarHBondContact CA-O 3.27Å; N93-E128 HydrophobicContact CB-CB 4.02Å; S94-E128 PolarHBondContact N-O 3.49Å; S94-E128 VanDerWaalsContact O-O 3.12Å; E126-E128 PolarHBondContact O-N 3.37Å; E128-T130 PolarHBondContact OE1-OG1 3Å; E128-R153 HydrophobicContact CG-CB 4.29Å; E128-R286 HydrophobicContact CB-CB 4.23Å; E128-R286 HydrophobicContact CB-CG 4.46Å; E128-R286 PolarHBondContact OE1-N 3.35Å; E128-R286 WeakPolarHBondContact OE2-CB 3.31Å; E128-R286 WeakPolarHBondContact OE2-CG 3.13Å; E128-R286 PolarHBondContact OE2-N 3.11Å; E128-H287 PolarHBondContact OE1-N 3.26Å
129	V	94.3	Very high	90.2	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	98.2	172	-178.8	0	0	0	0	107.5	S94 L114 V127 G150 V151 N152 R153	S94-V129 WeakPolarHBondContact O-CA 3.46Å; L114-V129 HydrophobicContact CD1-CG1 3.98Å; L114-V129 HydrophobicContact CD2-CG1 4.17Å; L114-V129 HydrophobicContact CD2-CG2 4.11Å; V127-V129 HydrophobicContact CG1-CG2 4.38Å; V127-V129 HydrophobicContact CG2-CG2 4.4Å; V129-G150 WeakPolarHBondContact CB-O 3.42Å; V129-V151 HydrophobicContact CG1-CB 4.49Å; V129-V151 HydrophobicContact CG1-CG2 4.16Å; V129-V151 WeakPolarHBondContact O-CG1 3.44Å; V129-N152 PolarHBondContact N-OD1 2.97Å; V129-N152 PolarHBondContact O-N 3.02Å; V129-N152 VanDerWaalsContact O-N 3.08Å; V129-N152 PolarHBondContact O-OD1 3.38Å; V129-R153 PolarHBondContact O-N 3Å
130	T	95.3	Very high	90.3	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.4	179.4	-51.9	0	0	0	0	112.3	S94 F95 S96 E128 R153	S94-T130 PolarHBondContact O-N 2.97Å; F95-T130 HydrophobicContact CD2-CG2 3.86Å; F95-T130 HydrophobicContact CE2-CG2 3.39Å; F95-T130 HydrophobicContact CZ-CG2 4.27Å; S96-T130 PolarHBondContact N-O 3.42Å; E128-T130 PolarHBondContact OE1-OG1 3Å; T130-R153 CarbonylContact C-O 3.55Å; T130-R153 VanDerWaalsContact CA-O 3.25Å; T130-R153 WeakPolarHBondContact CA-O 3.03Å; T130-R153 HydrophobicContact CG2-CB 4.28Å; T130-R153 HydrophobicContact CG2-CG 4.01Å; T130-R153 WeakPolarHBondContact OG1-CB 3.44Å; T130-R153 VanDerWaalsContact OG1-CD 3.31Å; T130-R153 WeakPolarHBondContact OG1-CD 3.36Å; T130-R153 WeakPolarHBondContact OG1-CG 3.31Å; T130-R153 PolarHBondContact OG1-NH1 3.05Å
131	L	95.6	Very high	90.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.9	168.6	-174.1	74.6	0	0	0	111.5	P102 I110 V133 Y146 V151 R153 F154 S155	P102-L131 HydrophobicContact CB-CD1 3.65Å; P102-L131 HydrophobicContact CB-CG 4.49Å; I110-L131 HydrophobicContact CD1-CD1 4.27Å; I110-L131 HydrophobicContact CG1-CD1 4.49Å; L131-V133 HydrophobicContact CD2-CG2 4.32Å; L131-V133 HydrophobicContact CG-CG2 4.48Å; L131-Y146 HydrophobicContact CD2-CD1 3.56Å; L131-Y146 HydrophobicContact CD2-CD2 3.47Å; L131-Y146 VanDerWaalsContact CD2-CD2 3.47Å; L131-Y146 HydrophobicContact CD2-CE1 3.76Å; L131-Y146 HydrophobicContact CD2-CE2 3.68Å; L131-Y146 HydrophobicContact CD2-CG 3.41Å; L131-Y146 VanDerWaalsContact CD2-CG 3.41Å; L131-V151 HydrophobicContact CB-CG1 3.74Å; L131-V151 HydrophobicContact CB-CG2 4.12Å; L131-R153 PolarHBondContact N-O 2.91Å; L131-F154 HydrophobicContact CB-CD1 4.21Å; L131-F154 HydrophobicContact CB-CE1 4.38Å; L131-F154 HydrophobicContact CD2-CE1 4.21Å; L131-F154 WeakPolarHBondContact O-CA 3.35Å; L131-S155 PolarHBondContact O-N 3.4Å
132	E	94.9	Very high	90.9	Very high	32 Å²	32	44.5 Å²	44.5	15%	0.15	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.1	168.5	-67.1	-173.7	159.8	0	0	112.1	S96 Q97 G98 P102 S103 S155	S96-E132 PolarHBondContact O-N 3.11Å; Q97-E132 HydrophobicContact CB-CG 4.05Å; Q97-E132 WeakPolarHBondContact CB-OE1 3.43Å; Q97-E132 WeakPolarHBondContact CG-OE1 3.03Å; Q97-E132 PolarHBondContact NE2-OE1 2.97Å; G98-E132 PolarHBondContact N-OE2 3.26Å; P102-E132 HydrophobicContact CG-CB 4.15Å; S103-E132 PolarHBondContact N-O 3.22Å; E132-S155 CarbonylContact C-O 3.34Å; E132-S155 WeakPolarHBondContact CA-O 3.43Å
133	V	95.1	Very high	91.4	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.1	-175.4	-176.2	0	0	0	0	110.7	L131 L143 F154 S155 I156 G157 T181	L131-V133 HydrophobicContact CD2-CG2 4.32Å; L131-V133 HydrophobicContact CG-CG2 4.48Å; V133-L143 HydrophobicContact CG1-CD2 4.16Å; V133-L143 HydrophobicContact CG2-CD2 3.88Å; V133-F154 HydrophobicContact CG2-CD1 3.75Å; V133-F154 HydrophobicContact CG2-CE1 4.42Å; V133-S155 PolarHBondContact N-O 2.65Å; V133-I156 HydrophobicContact CB-CG1 4.29Å; V133-G157 PolarHBondContact O-N 3.46Å; V133-T181 HydrophobicContact CG1-CG2 4.09Å
134	N	93.6	Very high	92	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.064	23%	0.233	C	C	.	.			trans	-79.2	119.9	161.4	-172.2	33.6	0	0	0	108.9	T101 S103 T136 R171 D172	T101-N134 HydrophobicContact CG2-CB 3.42Å; T101-N134 VanDerWaalsContact CG2-CB 3.42Å; S103-N134 PolarHBondContact OG-N 3.09Å; N134-T136 WeakPolarHBondContact ND2-CG2 3.24Å; N134-T136 PolarHBondContact O-N 2.88Å; N134-R171 VanDerWaalsContact OD1-CZ 3.3Å; N134-R171 PolarHBondContact OD1-NH1 3.14Å; N134-R171 PolarHBondContact OD1-NH2 3.24Å; N134-D172 PolarHBondContact ND2-OD1 3.42Å
135	P	95.2	Very high	92.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.			trans	-80.5	58.3	-168.5	33.4	-36.8	0	0	0	112.9	I156 H173 D177 A178 T181	P135-I156 HydrophobicContact CB-CG2 3.88Å; P135-I156 HydrophobicContact CG-CG2 4.08Å; P135-H173 HydrophobicContact CG-CB 4.27Å; P135-H173 WeakPolarHBondContact O-CB 3.46Å; P135-D177 WeakPolarHBondContact O-CB 3.49Å; P135-A178 HydrophobicContact CB-CB 4.37Å; P135-A178 HydrophobicContact CG-CB 4.15Å; P135-T181 HydrophobicContact CB-CG2 3.85Å; P135-T181 WeakPolarHBondContact CB-OG1 3.44Å
136	T	93.6	Very high	93.8	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	20%	0.196	C	C	.	.	S	Bend	trans	-89.3	162.2	169.6	60.8	0	0	0	0	109.8	N134 V138 G139 M140 D172 H173	N134-T136 WeakPolarHBondContact ND2-CG2 3.24Å; N134-T136 PolarHBondContact O-N 2.88Å; T136-V138 PolarHBondContact O-N 3.24Å; T136-V138 VanDerWaalsContact O-N 3.12Å; T136-G139 PolarHBondContact O-N 3.46Å; T136-G139 PolarHBondContact OG1-N 3.09Å; T136-M140 PolarHBondContact O-N 3.42Å; T136-D172 HydrophobicContact CG2-CB 4.48Å; T136-D172 WeakPolarHBondContact CG2-OD1 3.38Å; T136-H173 HydrophobicContact CG2-CB 4.33Å
137	P	92.4	Very high	94.5	Very high	77 Å²	77	33.7 Å²	33.7	50%	0.5	18%	0.183	S	C	.	.	H	α-helix	trans	-53.2	-35	174.3	-29.4	36.2	0	0	0	114	S141	P137-S141 WeakPolarHBondContact O-CB 3.48Å; P137-S141 PolarHBondContact O-N 3.46Å; P137-S141 VanDerWaalsContact O-N 3.07Å; P137-S141 PolarHBondContact O-OG 3.15Å
138	V	89.8	Confident	95	Very high	76 Å²	76	38.9 Å²	38.9	46%	0.461	21%	0.205	S	C	.	.	H	α-helix	trans	-71.4	-39.2	176.1	177.1	0	0	0	0	112	T136 S141	T136-V138 PolarHBondContact O-N 3.24Å; T136-V138 VanDerWaalsContact O-N 3.12Å; V138-S141 PolarHBondContact O-OG 3.44Å; V138-S141 VanDerWaalsContact O-OG 3.12Å
139	G	89.5	Confident	95.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-44.3	175.4	0	0	0	0	0	111.6	T136 K142	T136-G139 PolarHBondContact O-N 3.46Å; T136-G139 PolarHBondContact OG1-N 3.09Å; G139-K142 PolarHBondContact O-N 3.34Å
140	M	94.2	Very high	95	Very high	53 Å²	53	40.6 Å²	40.6	26%	0.261	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-44.4	179.5	-174.2	-177	71.6	0	0	112.4	T136 K142 L143 Q180 T181	T136-M140 PolarHBondContact O-N 3.42Å; M140-K142 PolarHBondContact O-N 3.44Å; M140-K142 VanDerWaalsContact O-N 3.12Å; M140-L143 HydrophobicContact CG-CD1 4.34Å; M140-L143 WeakPolarHBondContact O-CB 3.09Å; M140-L143 WeakPolarHBondContact O-CG 3.3Å; M140-L143 PolarHBondContact O-N 2.89Å; M140-L143 VanDerWaalsContact O-N 3.1Å; M140-Q180 HydrophobicContact SD-CB 3.71Å; M140-T181 HydrophobicContact CB-CG2 4.47Å
141	S	95.3	Very high	95	Very high	83 Å²	83	40.6 Å²	40.6	58%	0.58	23%	0.225	S	C	*	.	H	α-helix	trans	-62.7	-23.1	-175.6	66.8	0	0	0	0	113.8	P137 V138	P137-S141 WeakPolarHBondContact O-CB 3.48Å; P137-S141 PolarHBondContact O-N 3.46Å; P137-S141 VanDerWaalsContact O-N 3.07Å; P137-S141 PolarHBondContact O-OG 3.15Å; V138-S141 PolarHBondContact O-OG 3.44Å; V138-S141 VanDerWaalsContact O-OG 3.12Å
142	K	96.3	Very high	95	Very high	41 Å²	41	44 Å²	44	18%	0.178	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.1	179.2	-66	178.8	176.1	-174.9	0	114.3	L104 A105 P107 G139 M140 K144 D145 Y146	L104-K142 PolarHBondContact O-NZ 3.29Å; A105-K142 PolarHBondContact O-NZ 3.32Å; P107-K142 HydrophobicContact CG-CB 4.45Å; G139-K142 PolarHBondContact O-N 3.34Å; M140-K142 PolarHBondContact O-N 3.44Å; M140-K142 VanDerWaalsContact O-N 3.12Å; K142-K144 VanDerWaalsContact C-N 3.31Å; K142-K144 PolarHBondContact O-N 3.21Å; K142-D145 PolarHBondContact O-N 2.98Å; K142-Y146 HydrophobicContact CB-CD2 3.83Å; K142-Y146 HydrophobicContact CB-CE2 3.45Å; K142-Y146 VanDerWaalsContact CB-CE2 3.45Å; K142-Y146 HydrophobicContact CD-CE2 4.16Å; K142-Y146 HydrophobicContact CG-CE2 4.48Å; K142-Y146 WeakPolarHBondContact O-CD2 3.46Å; K142-Y146 PolarHBondContact O-N 3.09Å
143	L	97.9	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.5	-45.1	-174.3	-72.8	178.4	0	0	0	112.6	V133 M140 D145 Y146 H147 F154 T181 E184 A185 L188	V133-L143 HydrophobicContact CG1-CD2 4.16Å; V133-L143 HydrophobicContact CG2-CD2 3.88Å; M140-L143 HydrophobicContact CG-CD1 4.34Å; M140-L143 WeakPolarHBondContact O-CB 3.09Å; M140-L143 WeakPolarHBondContact O-CG 3.3Å; M140-L143 PolarHBondContact O-N 2.89Å; M140-L143 VanDerWaalsContact O-N 3.1Å; L143-D145 VanDerWaalsContact C-N 3.31Å; L143-D145 PolarHBondContact O-N 2.95Å; L143-Y146 PolarHBondContact O-N 3.24Å; L143-H147 PolarHBondContact O-N 3.16Å; L143-F154 HydrophobicContact CB-CZ 4.44Å; L143-F154 HydrophobicContact CD2-CD1 3.86Å; L143-F154 HydrophobicContact CD2-CD2 4.46Å; L143-F154 HydrophobicContact CD2-CE1 3.68Å; L143-F154 HydrophobicContact CD2-CE2 4.3Å; L143-F154 HydrophobicContact CD2-CG 4.26Å; L143-F154 HydrophobicContact CD2-CZ 3.92Å; L143-T181 HydrophobicContact CD1-CG2 3.94Å; L143-E184 HydrophobicContact CD1-CB 4.1Å; L143-E184 HydrophobicContact CD1-CG 4.12Å; L143-A185 HydrophobicContact CD1-CB 4.14Å; L143-L188 HydrophobicContact CB-CD1 3.61Å
144	K	98.3	Very high	95.1	Very high	118 Å²	118	42.9 Å²	42.9	51%	0.513	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-43.3	177.7	-175.8	176.4	178.2	-175.6	0	111.1	K142 H147 H148 L188	K142-K144 VanDerWaalsContact C-N 3.31Å; K142-K144 PolarHBondContact O-N 3.21Å; K144-H147 WeakPolarHBondContact O-CB 3.44Å; K144-H147 PolarHBondContact O-N 3.47Å; K144-H148 PolarHBondContact O-N 2.87Å; K144-H148 PolarHBondContact O-ND1 2.58Å; K144-L188 HydrophobicContact CB-CD1 4.45Å; K144-L188 HydrophobicContact CB-CD2 4.42Å; K144-L188 HydrophobicContact CG-CD2 4.4Å
145	D	98	Very high	95.2	Very high	88 Å²	88	42.6 Å²	42.6	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-69.4	-35.7	-179.2	-62.8	-22.3	0	0	0	111.8	P107 K142 L143 H147 H148 A149	P107-D145 HydrophobicContact CB-CB 3.83Å; P107-D145 HydrophobicContact CG-CB 3.55Å; K142-D145 PolarHBondContact O-N 2.98Å; L143-D145 VanDerWaalsContact C-N 3.31Å; L143-D145 PolarHBondContact O-N 2.95Å; D145-H147 VanDerWaalsContact C-N 3.35Å; D145-H148 PolarHBondContact O-N 2.78Å; D145-A149 WeakPolarHBondContact O-CB 3.47Å; D145-A149 PolarHBondContact O-N 3.27Å
146	Y	97.3	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-41.4	171.2	-72.2	-57.7	0	0	0	112.3	P102 S103 A105 P107 I110 L131 K142 L143 H148 A149 G150 V151	P102-Y146 PolarHBondContact O-OH 3.27Å; S103-Y146 VanDerWaalsContact CA-OH 3.3Å; S103-Y146 WeakPolarHBondContact CA-OH 3.35Å; S103-Y146 PolarHBondContact O-OH 3.15Å; A105-Y146 PolarHBondContact O-OH 3.22Å; P107-Y146 HydrophobicContact CB-CD1 3.91Å; P107-Y146 HydrophobicContact CB-CE1 4.1Å; P107-Y146 HydrophobicContact CG-CD1 4.02Å; P107-Y146 HydrophobicContact CG-CE1 3.92Å; P107-Y146 HydrophobicContact CG-CG 4.41Å; I110-Y146 HydrophobicContact CG1-CD1 4.2Å; I110-Y146 HydrophobicContact CG1-CE1 4.08Å; L131-Y146 HydrophobicContact CD2-CD1 3.56Å; L131-Y146 HydrophobicContact CD2-CD2 3.47Å; L131-Y146 VanDerWaalsContact CD2-CD2 3.47Å; L131-Y146 HydrophobicContact CD2-CE1 3.76Å; L131-Y146 HydrophobicContact CD2-CE2 3.68Å; L131-Y146 HydrophobicContact CD2-CG 3.41Å; L131-Y146 VanDerWaalsContact CD2-CG 3.41Å; K142-Y146 HydrophobicContact CB-CD2 3.83Å; K142-Y146 HydrophobicContact CB-CE2 3.45Å; K142-Y146 VanDerWaalsContact CB-CE2 3.45Å; K142-Y146 HydrophobicContact CD-CE2 4.16Å; K142-Y146 HydrophobicContact CG-CE2 4.48Å; K142-Y146 WeakPolarHBondContact O-CD2 3.46Å; K142-Y146 PolarHBondContact O-N 3.09Å; L143-Y146 PolarHBondContact O-N 3.24Å; Y146-H148 VanDerWaalsContact C-N 3.34Å; Y146-H148 PolarHBondContact O-N 3.1Å; Y146-A149 WeakPolarHBondContact O-CA 3.47Å; Y146-A149 WeakPolarHBondContact O-CB 3.49Å; Y146-A149 PolarHBondContact O-N 3.3Å; Y146-A149 VanDerWaalsContact O-N 3.09Å; Y146-G150 PolarHBondContact O-N 2.68Å; Y146-V151 VanDerWaalsContact O-CB 3.29Å; Y146-V151 WeakPolarHBondContact O-CB 3.25Å; Y146-V151 WeakPolarHBondContact O-CG2 3.38Å; Y146-V151 PolarHBondContact O-N 3.03Å
147	H	97.4	Very high	95.4	Very high	73 Å²	73	42.5 Å²	42.5	34%	0.338	24%	0.237	S	C	.	.	H	α-helix	trans	-59.6	-45.5	174.2	179.4	-90.2	0	0	0	111.4	L143 K144 D145 A149 G150 V151 L188	L143-H147 PolarHBondContact O-N 3.16Å; K144-H147 WeakPolarHBondContact O-CB 3.44Å; K144-H147 PolarHBondContact O-N 3.47Å; D145-H147 VanDerWaalsContact C-N 3.35Å; H147-A149 VanDerWaalsContact C-N 3.25Å; H147-A149 PolarHBondContact O-N 2.8Å; H147-G150 PolarHBondContact O-N 2.73Å; H147-V151 WeakPolarHBondContact CA-O 3.45Å; H147-V151 PolarHBondContact CD2-O 3.06Å; H147-L188 HydrophobicContact CB-CD2 4.44Å; H147-L188 PolarHBondContact NE2-O 3.23Å
148	H	97.3	Very high	95.6	Very high	132 Å²	132	38.9 Å²	38.9	61%	0.611	21%	0.213	S	C	*	.	H	α-helix	trans	-64.5	-28.5	173.9	-69.6	86.2	0	0	0	113.3	K144 D145 Y146 G150	K144-H148 PolarHBondContact O-N 2.87Å; K144-H148 PolarHBondContact O-ND1 2.58Å; D145-H148 PolarHBondContact O-N 2.78Å; Y146-H148 VanDerWaalsContact C-N 3.34Å; Y146-H148 PolarHBondContact O-N 3.1Å; H148-G150 PolarHBondContact O-N 2.91Å
149	A	94.9	Very high	95.9	Very high	17 Å²	17	36 Å²	36	14%	0.14	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.1	174.8	0	0	0	0	0	113.4	P107 A111 L114 D145 Y146 H147	P107-A149 HydrophobicContact CB-CB 4.45Å; A111-A149 HydrophobicContact CB-CB 3.94Å; L114-A149 WeakPolarHBondContact CD1-O 3.5Å; D145-A149 WeakPolarHBondContact O-CB 3.47Å; D145-A149 PolarHBondContact O-N 3.27Å; Y146-A149 WeakPolarHBondContact O-CA 3.47Å; Y146-A149 WeakPolarHBondContact O-CB 3.49Å; Y146-A149 PolarHBondContact O-N 3.3Å; Y146-A149 VanDerWaalsContact O-N 3.09Å; H147-A149 VanDerWaalsContact C-N 3.25Å; H147-A149 PolarHBondContact O-N 2.8Å
150	G	93.3	Very high	96.2	Very high	35 Å²	35	36 Å²	36	36%	0.361	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.3	5.4	178.5	0	0	0	0	0	114.8	V129 Y146 H147 H148 N152	V129-G150 WeakPolarHBondContact CB-O 3.42Å; Y146-G150 PolarHBondContact O-N 2.68Å; H147-G150 PolarHBondContact O-N 2.73Å; H148-G150 PolarHBondContact O-N 2.91Å; G150-N152 PolarHBondContact O-N 3.45Å
151	V	95.7	Very high	96.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	19%	0.187	C	C	.	.			trans	-72.8	124.1	172.7	178.7	0	0	0	0	109.5	I110 V129 L131 Y146 H147 R153 F154	I110-V151 HydrophobicContact CG2-CG2 4.03Å; V129-V151 HydrophobicContact CG1-CB 4.49Å; V129-V151 HydrophobicContact CG1-CG2 4.16Å; V129-V151 WeakPolarHBondContact O-CG1 3.44Å; L131-V151 HydrophobicContact CB-CG1 3.74Å; L131-V151 HydrophobicContact CB-CG2 4.12Å; Y146-V151 VanDerWaalsContact O-CB 3.29Å; Y146-V151 WeakPolarHBondContact O-CB 3.25Å; Y146-V151 WeakPolarHBondContact O-CG2 3.38Å; Y146-V151 PolarHBondContact O-N 3.03Å; H147-V151 WeakPolarHBondContact CA-O 3.45Å; H147-V151 PolarHBondContact CD2-O 3.06Å; V151-R153 VanDerWaalsContact CG1-O 3.24Å; V151-R153 WeakPolarHBondContact CG1-O 3.46Å; V151-F154 HydrophobicContact CB-CE1 4.3Å; V151-F154 HydrophobicContact CB-CZ 4.42Å; V151-F154 HydrophobicContact CG1-CD1 3.91Å; V151-F154 HydrophobicContact CG1-CE1 3.51Å; V151-F154 HydrophobicContact CG1-CZ 3.89Å
152	N	95.2	Very high	96.3	Very high	71 Å²	71	33.3 Å²	33.3	38%	0.38	17%	0.173	S	C	.	.			trans	-120.7	2.4	179.4	62.6	15.1	0	0	0	113.2	V127 V129 G150 C189	V127-N152 PolarHBondContact O-ND2 3Å; V129-N152 PolarHBondContact N-OD1 2.97Å; V129-N152 PolarHBondContact O-N 3.02Å; V129-N152 VanDerWaalsContact O-N 3.08Å; V129-N152 PolarHBondContact O-OD1 3.38Å; G150-N152 PolarHBondContact O-N 3.45Å; N152-C189 WeakPolarHBondContact O-CB 3.29Å
153	R	96.1	Very high	96.2	Very high	14 Å²	14	34.6 Å²	34.6	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.7	172.7	-174.2	169.1	-178.1	-88.4	-0.8	111	E128 V129 T130 L131 V151 G192 H223	E128-R153 HydrophobicContact CG-CB 4.29Å; V129-R153 PolarHBondContact O-N 3Å; T130-R153 CarbonylContact C-O 3.55Å; T130-R153 VanDerWaalsContact CA-O 3.25Å; T130-R153 WeakPolarHBondContact CA-O 3.03Å; T130-R153 HydrophobicContact CG2-CB 4.28Å; T130-R153 HydrophobicContact CG2-CG 4.01Å; T130-R153 WeakPolarHBondContact OG1-CB 3.44Å; T130-R153 VanDerWaalsContact OG1-CD 3.31Å; T130-R153 WeakPolarHBondContact OG1-CD 3.36Å; T130-R153 WeakPolarHBondContact OG1-CG 3.31Å; T130-R153 PolarHBondContact OG1-NH1 3.05Å; L131-R153 PolarHBondContact N-O 2.91Å; V151-R153 VanDerWaalsContact CG1-O 3.24Å; V151-R153 WeakPolarHBondContact CG1-O 3.46Å; R153-G192 CarbonylContact C-O 3.55Å; R153-G192 WeakPolarHBondContact CA-O 3.49Å; R153-G192 VanDerWaalsContact CG-O 3.32Å; R153-G192 WeakPolarHBondContact CG-O 3.32Å; R153-H223 PolarHBondContact NH2-CD2 3.26Å; R153-H223 PolarHBondContact NH2-ND1 3.46Å; R153-H223 PolarHBondContact NH2-NE2 2.99Å
154	F	96.6	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.5	176.3	-67.7	-66.4	0	0	0	110.6	L131 V133 L143 V151 I156 A185 L188 C189 G192 V193 S194	L131-F154 HydrophobicContact CB-CD1 4.21Å; L131-F154 HydrophobicContact CB-CE1 4.38Å; L131-F154 HydrophobicContact CD2-CE1 4.21Å; L131-F154 WeakPolarHBondContact O-CA 3.35Å; V133-F154 HydrophobicContact CG2-CD1 3.75Å; V133-F154 HydrophobicContact CG2-CE1 4.42Å; L143-F154 HydrophobicContact CB-CZ 4.44Å; L143-F154 HydrophobicContact CD2-CD1 3.86Å; L143-F154 HydrophobicContact CD2-CD2 4.46Å; L143-F154 HydrophobicContact CD2-CE1 3.68Å; L143-F154 HydrophobicContact CD2-CE2 4.3Å; L143-F154 HydrophobicContact CD2-CG 4.26Å; L143-F154 HydrophobicContact CD2-CZ 3.92Å; V151-F154 HydrophobicContact CB-CE1 4.3Å; V151-F154 HydrophobicContact CB-CZ 4.42Å; V151-F154 HydrophobicContact CG1-CD1 3.91Å; V151-F154 HydrophobicContact CG1-CE1 3.51Å; V151-F154 HydrophobicContact CG1-CZ 3.89Å; F154-I156 HydrophobicContact CB-CG1 4.38Å; F154-A185 HydrophobicContact CB-CB 4.28Å; F154-A185 HydrophobicContact CD2-CB 3.89Å; F154-A185 HydrophobicContact CG-CB 4.34Å; F154-L188 HydrophobicContact CE2-CB 4.35Å; F154-L188 HydrophobicContact CE2-CD1 4.45Å; F154-C189 HydrophobicContact CD2-CB 4.32Å; F154-C189 WeakPolarHBondContact CE2-SG 3.41Å; F154-G192 PolarHBondContact N-O 2.82Å; F154-V193 WeakPolarHBondContact O-CA 3.18Å; F154-S194 PolarHBondContact O-N 3.5Å
155	S	95.6	Very high	95.9	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.7	168	-154.1	0	0	0	0	109.5	L131 E132 V133 S194 D196	L131-S155 PolarHBondContact O-N 3.4Å; E132-S155 CarbonylContact C-O 3.34Å; E132-S155 WeakPolarHBondContact CA-O 3.43Å; V133-S155 PolarHBondContact N-O 2.65Å; S155-S194 PolarHBondContact OG-OG 3.1Å; S155-D196 PolarHBondContact OG-OD1 2.85Å; S155-D196 PolarHBondContact OG-OD2 3.37Å
156	I	96.7	Very high	95.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.8	-171.1	-60.6	176	0	0	0	109.8	V133 P135 F154 V158 T181 L182 A185 V193 S194 D196	V133-I156 HydrophobicContact CB-CG1 4.29Å; P135-I156 HydrophobicContact CB-CG2 3.88Å; P135-I156 HydrophobicContact CG-CG2 4.08Å; F154-I156 HydrophobicContact CB-CG1 4.38Å; I156-V158 VanDerWaalsContact C-N 3.27Å; I156-V158 HydrophobicContact CB-CG2 4.49Å; I156-V158 HydrophobicContact CG2-CG2 3.8Å; I156-V158 PolarHBondContact O-N 3.19Å; I156-T181 HydrophobicContact CD1-CG2 3.91Å; I156-T181 HydrophobicContact CG1-CG2 4.47Å; I156-T181 HydrophobicContact CG2-CG2 4.27Å; I156-L182 HydrophobicContact CB-CD2 4.03Å; I156-L182 HydrophobicContact CD1-CD2 3.75Å; I156-L182 HydrophobicContact CD1-CG 4.35Å; I156-L182 HydrophobicContact CG1-CD2 4.4Å; I156-L182 HydrophobicContact CG2-CD2 4.25Å; I156-A185 HydrophobicContact CD1-CB 3.49Å; I156-A185 VanDerWaalsContact CD1-CB 3.49Å; I156-V193 HydrophobicContact CD1-CG1 3.96Å; I156-V193 HydrophobicContact CG1-CG1 4.49Å; I156-S194 PolarHBondContact N-O 2.63Å; I156-D196 PolarHBondContact O-N 2.96Å
157	G	95.4	Very high	95.7	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	65.7	-178.7	0	0	0	0	0	113.9	V133 Q159 R171	V133-G157 PolarHBondContact O-N 3.46Å; G157-Q159 VanDerWaalsContact CA-NE2 3.25Å; G157-R171 PolarHBondContact O-NH2 2.87Å
158	V	96.8	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-45.3	-176.3	-178.1	0	0	0	0	111.7	I156 S160 L161 L166 H173 A178 L182 V195 D196 M216	I156-V158 VanDerWaalsContact C-N 3.27Å; I156-V158 HydrophobicContact CB-CG2 4.49Å; I156-V158 HydrophobicContact CG2-CG2 3.8Å; I156-V158 PolarHBondContact O-N 3.19Å; V158-S160 PolarHBondContact O-N 2.91Å; V158-L161 HydrophobicContact CG1-CD2 4.02Å; V158-L166 WeakPolarHBondContact O-CD2 3.33Å; V158-H173 PolarHBondContact O-CE1 3.1Å; V158-H173 PolarHBondContact O-NE2 3.29Å; V158-H173 VanDerWaalsContact O-NE2 3.13Å; V158-A178 HydrophobicContact CB-CB 4.49Å; V158-A178 HydrophobicContact CG1-CB 3.8Å; V158-A178 HydrophobicContact CG2-CB 4.17Å; V158-L182 HydrophobicContact CG2-CD1 4.03Å; V158-L182 HydrophobicContact CG2-CD2 4.37Å; V158-L182 HydrophobicContact CG2-CG 4.27Å; V158-V195 HydrophobicContact CB-CG1 4.17Å; V158-V195 HydrophobicContact CG2-CG1 3.77Å; V158-D196 PolarHBondContact N-O 3.43Å; V158-M216 HydrophobicContact CB-CE 4.06Å; V158-M216 HydrophobicContact CG1-CE 3.38Å; V158-M216 HydrophobicContact CG1-SD 4.18Å
159	Q	95.8	Very high	95.3	Very high	16 Å²	16	32 Å²	32	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65	-49.4	-178.2	-39.8	-51.4	-28.5	0	0	114.7	G157 L169 D196 M198 R201	G157-Q159 VanDerWaalsContact CA-NE2 3.25Å; Q159-L169 HydrophobicContact CB-CD1 4.09Å; Q159-D196 PolarHBondContact N-O 3Å; Q159-M198 HydrophobicContact CB-CB 4.37Å; Q159-M198 PolarHBondContact O-N 3.34Å; Q159-R201 PolarHBondContact O-NH1 2.98Å; Q159-R201 VanDerWaalsContact O-NH1 3.17Å
160	S	96.3	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.			trans	-157.1	151.7	-179	-179.5	0	0	0	0	111.4	V158 Q162 L166 R201 E212	V158-S160 PolarHBondContact O-N 2.91Å; S160-Q162 PolarHBondContact OG-N 2.93Å; S160-L166 WeakPolarHBondContact O-CD2 3.28Å; S160-R201 VanDerWaalsContact CB-NH1 3.31Å; S160-R201 PolarHBondContact OG-NH1 3.08Å; S160-R201 PolarHBondContact OG-NH2 3.33Å; S160-E212 VanDerWaalsContact CA-OE1 3.31Å; S160-E212 WeakPolarHBondContact CA-OE1 3.49Å; S160-E212 WeakPolarHBondContact CB-OE1 3.31Å; S160-E212 PolarHBondContact OG-OE1 3.19Å
161	L	96	Very high	95.3	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.11	17%	0.17	C	C	.	.	S	Bend	trans	-93.5	-3.5	167.3	-61.1	178.4	0	0	0	112.5	V158 S175 L179 E212 E215 M216	V158-L161 HydrophobicContact CG1-CD2 4.02Å; L161-S175 VanDerWaalsContact O-CB 3.26Å; L161-S175 WeakPolarHBondContact O-CB 3.21Å; L161-L179 HydrophobicContact CD2-CD2 4.1Å; L161-L179 HydrophobicContact CD2-CG 4.39Å; L161-E212 HydrophobicContact CB-CG 4.34Å; L161-E212 PolarHBondContact N-OE1 2.94Å; L161-E215 HydrophobicContact CD1-CB 4.05Å; L161-M216 HydrophobicContact CD1-CB 4.43Å; L161-M216 HydrophobicContact CD1-CE 3.98Å; L161-M216 HydrophobicContact CD1-SD 4.17Å; L161-M216 HydrophobicContact CD2-CE 3.65Å; L161-M216 HydrophobicContact CD2-SD 4.06Å; L161-M216 HydrophobicContact CG-CE 3.47Å; L161-M216 VanDerWaalsContact CG-CE 3.47Å; L161-M216 HydrophobicContact CG-SD 4.18Å
162	Q	95.4	Very high	95.1	Very high	58 Å²	58	33.6 Å²	33.6	27%	0.271	18%	0.178	S	C	.	.			trans	-95.1	120.7	-177	-58.5	-58.6	-40.7	0	0	111.1	S160 K164 D165 L166 E212	S160-Q162 PolarHBondContact OG-N 2.93Å; Q162-K164 VanDerWaalsContact C-N 3.26Å; Q162-K164 HydrophobicContact CB-CG 4.31Å; Q162-K164 PolarHBondContact O-N 3.49Å; Q162-D165 HydrophobicContact CB-CB 4.19Å; Q162-D165 WeakPolarHBondContact CB-OD2 3.48Å; Q162-D165 PolarHBondContact O-N 3.24Å; Q162-L166 PolarHBondContact O-N 3.03Å; Q162-E212 PolarHBondContact N-OE1 3.46Å
163	A	94.7	Very high	95	Very high	69 Å²	69	30.7 Å²	30.7	57%	0.57	16%	0.163	S	C	*	.	H	α-helix	trans	-57.8	-36.9	-177.4	0	0	0	0	0	113.3	D165 K167	A163-D165 VanDerWaalsContact C-N 3.31Å; A163-D165 PolarHBondContact O-N 2.89Å; A163-K167 WeakPolarHBondContact O-CB 3.33Å; A163-K167 PolarHBondContact O-N 3.49Å
164	K	94.6	Very high	95.1	Very high	122 Å²	122	33.4 Å²	33.4	53%	0.53	18%	0.178	S	C	.	.	H	α-helix	trans	-62.3	-38.2	176.6	58.7	166.6	-166.6	174.1	0	112.4	Q162 S168	Q162-K164 VanDerWaalsContact C-N 3.26Å; Q162-K164 HydrophobicContact CB-CG 4.31Å; Q162-K164 PolarHBondContact O-N 3.49Å; K164-S168 PolarHBondContact O-N 2.89Å
165	D	95.1	Very high	95	Very high	14 Å²	14	35.3 Å²	35.3	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-78.9	-43.5	-175.1	-62.8	-17.7	0	0	0	109.4	Q162 A163 K167 S168 L169 R201	Q162-D165 HydrophobicContact CB-CB 4.19Å; Q162-D165 WeakPolarHBondContact CB-OD2 3.48Å; Q162-D165 PolarHBondContact O-N 3.24Å; A163-D165 VanDerWaalsContact C-N 3.31Å; A163-D165 PolarHBondContact O-N 2.89Å; D165-K167 VanDerWaalsContact C-N 3.28Å; D165-K167 PolarHBondContact O-N 2.98Å; D165-S168 WeakPolarHBondContact O-CB 3.41Å; D165-S168 PolarHBondContact O-N 3.36Å; D165-S168 VanDerWaalsContact O-N 3.11Å; D165-L169 WeakPolarHBondContact O-CB 3.38Å; D165-L169 VanDerWaalsContact O-CG 3.27Å; D165-L169 WeakPolarHBondContact O-CG 3.45Å; D165-L169 PolarHBondContact O-N 3.26Å; D165-R201 IonicContact OD2-CZ 3.54Å; D165-R201 IonicContact OD2-NE 2.79Å; D165-R201 PolarHBondContact OD2-NE 3.48Å; D165-R201 IonicContact OD2-NH2 3.92Å; D165-R201 PolarHBondContact OD2-NH2 2.98Å
166	L	95.8	Very high	95.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-42.8	171.8	-68.3	177.4	0	0	0	112.1	V158 S160 Q162 L169 G170 R171	V158-L166 WeakPolarHBondContact O-CD2 3.33Å; S160-L166 WeakPolarHBondContact O-CD2 3.28Å; Q162-L166 PolarHBondContact O-N 3.03Å; L166-L169 PolarHBondContact O-N 3.45Å; L166-G170 PolarHBondContact O-N 3.03Å; L166-G170 VanDerWaalsContact O-N 3.16Å; L166-R171 HydrophobicContact CB-CB 4.22Å; L166-R171 HydrophobicContact CD2-CB 4.05Å; L166-R171 HydrophobicContact CD2-CG 3.88Å; L166-R171 WeakPolarHBondContact O-CB 3.31Å; L166-R171 PolarHBondContact O-N 3.07Å
167	K	94.3	Very high	95.1	Very high	177 Å²	177	40.8 Å²	40.8	77%	0.77	22%	0.22	S	C	*	.	H	α-helix	trans	-63.9	-44.9	175.2	-174.7	178.8	179.4	-179	0	111.9	A163 D165 L169 G170	A163-K167 WeakPolarHBondContact O-CB 3.33Å; A163-K167 PolarHBondContact O-N 3.49Å; D165-K167 VanDerWaalsContact C-N 3.28Å; D165-K167 PolarHBondContact O-N 2.98Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.14Å; K167-G170 PolarHBondContact O-N 3.44Å; K167-G170 VanDerWaalsContact O-N 3.09Å
168	S	93.6	Very high	95.2	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-38.4	177.2	179.7	0	0	0	0	112.3	T54 K164 D165 G170	T54-S168 WeakPolarHBondContact CG2-O 3.47Å; T54-S168 PolarHBondContact OG1-O 2.63Å; K164-S168 PolarHBondContact O-N 2.89Å; D165-S168 WeakPolarHBondContact O-CB 3.41Å; D165-S168 PolarHBondContact O-N 3.36Å; D165-S168 VanDerWaalsContact O-N 3.11Å; S168-G170 PolarHBondContact O-N 3.28Å
169	L	94.3	Very high	95.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.6	176.1	-68.1	176.8	0	0	0	113.4	C53 T54 Y55 Q159 D165 L166 K167 R171 M198 L229	C53-L169 WeakPolarHBondContact CA-O 3.5Å; C53-L169 WeakPolarHBondContact CB-O 3.03Å; T54-L169 PolarHBondContact N-O 3.36Å; T54-L169 VanDerWaalsContact OG1-C 3.31Å; T54-L169 WeakPolarHBondContact OG1-CA 3.45Å; T54-L169 PolarHBondContact OG1-O 3.2Å; Y55-L169 HydrophobicContact CD1-CB 4.06Å; Y55-L169 HydrophobicContact CD1-CD2 3.5Å; Y55-L169 HydrophobicContact CD1-CG 4.33Å; Y55-L169 HydrophobicContact CE1-CB 3.86Å; Y55-L169 HydrophobicContact CE1-CD2 3.82Å; Y55-L169 HydrophobicContact CE1-CG 4.27Å; Y55-L169 HydrophobicContact CG-CD2 4.21Å; Q159-L169 HydrophobicContact CB-CD1 4.09Å; D165-L169 WeakPolarHBondContact O-CB 3.38Å; D165-L169 VanDerWaalsContact O-CG 3.27Å; D165-L169 WeakPolarHBondContact O-CG 3.45Å; D165-L169 PolarHBondContact O-N 3.26Å; L166-L169 PolarHBondContact O-N 3.45Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.14Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 HydrophobicContact CB-CG 3.81Å; L169-M198 HydrophobicContact CD1-SD 4.48Å; L169-M198 HydrophobicContact CD2-SD 4.24Å; L169-L229 HydrophobicContact CD2-CD1 4.48Å; L169-L229 HydrophobicContact CD2-CD2 3.95Å
170	G	93.8	Very high	95.3	Very high	19 Å²	19	47 Å²	47	20%	0.196	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	29.1	-177	0	0	0	0	0	113.4	R51 L166 K167 S168	R51-G170 WeakPolarHBondContact CD-O 3.17Å; L166-G170 PolarHBondContact O-N 3.03Å; L166-G170 VanDerWaalsContact O-N 3.16Å; K167-G170 PolarHBondContact O-N 3.44Å; K167-G170 VanDerWaalsContact O-N 3.09Å; S168-G170 PolarHBondContact O-N 3.28Å
171	R	94.1	Very high	95.4	Very high	32 Å²	32	47 Å²	47	12%	0.121	25%	0.249	C	C	.	.			trans	-74	154.4	176	-55.5	-65.6	-74.3	150.2	4.3	110.3	N134 G157 L166 L169 H173	N134-R171 VanDerWaalsContact OD1-CZ 3.3Å; N134-R171 PolarHBondContact OD1-NH1 3.14Å; N134-R171 PolarHBondContact OD1-NH2 3.24Å; G157-R171 PolarHBondContact O-NH2 2.87Å; L166-R171 HydrophobicContact CB-CB 4.22Å; L166-R171 HydrophobicContact CD2-CB 4.05Å; L166-R171 HydrophobicContact CD2-CG 3.88Å; L166-R171 WeakPolarHBondContact O-CB 3.31Å; L166-R171 PolarHBondContact O-N 3.07Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 HydrophobicContact CB-CG 3.81Å; R171-H173 PolarHBondContact NE-CE1 2.88Å
172	D	90.6	Very high	95.4	Very high	37 Å²	37	46 Å²	46	20%	0.198	24%	0.244	C	C	.	.	S	Bend	trans	-112.7	7.6	-175.8	57.7	-12.1	0	0	0	114.3	R51 N134 T136	R51-D172 HydrophobicContact CG-CB 4.47Å; R51-D172 IonicContact NE-OD2 3.87Å; N134-D172 PolarHBondContact ND2-OD1 3.42Å; T136-D172 HydrophobicContact CG2-CB 4.48Å; T136-D172 WeakPolarHBondContact CG2-OD1 3.38Å
173	H	94.5	Very high	95.5	Very high	11 Å²	11	46.2 Å²	46.2	5%	0.051	26%	0.255	C	S	.	.			trans	-111.6	162	169.7	70.8	-86.7	0	0	0	110.8	P135 T136 V158 R171 D177	P135-H173 HydrophobicContact CG-CB 4.27Å; P135-H173 WeakPolarHBondContact O-CB 3.46Å; T136-H173 HydrophobicContact CG2-CB 4.33Å; V158-H173 PolarHBondContact O-CE1 3.1Å; V158-H173 PolarHBondContact O-NE2 3.29Å; V158-H173 VanDerWaalsContact O-NE2 3.13Å; R171-H173 PolarHBondContact NE-CE1 2.88Å; H173-D177 HydrophobicContact CB-CB 4.21Å
174	N	96.3	Very high	95.7	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.374	24%	0.241	S	C	.	.			trans	-110.1	175	167.4	69.1	62.5	0	0	0	110.8	L176 D177 A178	N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 PolarHBondContact O-N 3.33Å; N174-L176 WeakPolarHBondContact OD1-CA 3.47Å; N174-L176 WeakPolarHBondContact OD1-CB 3.14Å; N174-L176 PolarHBondContact OD1-N 3.22Å; N174-D177 VanDerWaalsContact CG-OD2 3.27Å; N174-D177 PolarHBondContact N-OD2 2.93Å; N174-D177 VanDerWaalsContact ND2-CG 3.26Å; N174-D177 PolarHBondContact ND2-OD1 2.9Å; N174-D177 PolarHBondContact ND2-OD2 3.34Å; N174-D177 PolarHBondContact O-N 3.47Å; N174-D177 PolarHBondContact OD1-N 2.85Å; N174-A178 PolarHBondContact O-N 2.95Å; N174-A178 VanDerWaalsContact O-N 3.11Å
175	S	96	Very high	95.8	Very high	40 Å²	40	39.9 Å²	39.9	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-63.5	-34.1	-178.2	54.2	0	0	0	0	113.7	L161 A178 L179	L161-S175 VanDerWaalsContact O-CB 3.26Å; L161-S175 WeakPolarHBondContact O-CB 3.21Å; S175-A178 PolarHBondContact O-N 3.09Å; S175-L179 WeakPolarHBondContact O-CG 3.22Å; S175-L179 PolarHBondContact O-N 3.3Å
176	L	96.7	Very high	95.9	Very high	99 Å²	99	43.6 Å²	43.6	52%	0.518	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-45.2	175.1	-179.9	64.7	0	0	0	110.9	N174 A178 L179 Q180	N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 PolarHBondContact O-N 3.33Å; N174-L176 WeakPolarHBondContact OD1-CA 3.47Å; N174-L176 WeakPolarHBondContact OD1-CB 3.14Å; N174-L176 PolarHBondContact OD1-N 3.22Å; L176-A178 VanDerWaalsContact C-N 3.29Å; L176-A178 PolarHBondContact O-N 3.48Å; L176-L179 PolarHBondContact O-N 3.47Å; L176-Q180 HydrophobicContact CD1-CG 4.2Å; L176-Q180 HydrophobicContact CG-CG 4.41Å; L176-Q180 WeakPolarHBondContact O-CB 3.37Å; L176-Q180 VanDerWaalsContact O-CG 3.3Å; L176-Q180 WeakPolarHBondContact O-CG 3.33Å; L176-Q180 PolarHBondContact O-N 3.28Å
177	D	97.2	Very high	96	Very high	22 Å²	22	50.8 Å²	50.8	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-41.8	177.3	-50.9	-32.4	0	0	0	110.9	P135 H173 N174 Q180 T181	P135-D177 WeakPolarHBondContact O-CB 3.49Å; H173-D177 HydrophobicContact CB-CB 4.21Å; N174-D177 VanDerWaalsContact CG-OD2 3.27Å; N174-D177 PolarHBondContact N-OD2 2.93Å; N174-D177 VanDerWaalsContact ND2-CG 3.26Å; N174-D177 PolarHBondContact ND2-OD1 2.9Å; N174-D177 PolarHBondContact ND2-OD2 3.34Å; N174-D177 PolarHBondContact O-N 3.47Å; N174-D177 PolarHBondContact OD1-N 2.85Å; D177-Q180 PolarHBondContact O-N 3.22Å; D177-T181 VanDerWaalsContact O-CB 3.32Å; D177-T181 WeakPolarHBondContact O-CB 3.27Å; D177-T181 PolarHBondContact O-N 3.44Å; D177-T181 PolarHBondContact O-OG1 2.86Å
178	A	96.9	Very high	96.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-49.8	175.4	0	0	0	0	0	112.6	P135 V158 N174 S175 L176 Q180 T181 L182	P135-A178 HydrophobicContact CB-CB 4.37Å; P135-A178 HydrophobicContact CG-CB 4.15Å; V158-A178 HydrophobicContact CB-CB 4.49Å; V158-A178 HydrophobicContact CG1-CB 3.8Å; V158-A178 HydrophobicContact CG2-CB 4.17Å; N174-A178 PolarHBondContact O-N 2.95Å; N174-A178 VanDerWaalsContact O-N 3.11Å; S175-A178 PolarHBondContact O-N 3.09Å; L176-A178 VanDerWaalsContact C-N 3.29Å; L176-A178 PolarHBondContact O-N 3.48Å; A178-Q180 PolarHBondContact O-N 2.97Å; A178-T181 PolarHBondContact O-N 3.42Å; A178-L182 WeakPolarHBondContact O-CB 3.5Å; A178-L182 VanDerWaalsContact O-CG 3.31Å; A178-L182 WeakPolarHBondContact O-CG 3.39Å; A178-L182 PolarHBondContact O-N 3Å
179	L	97.1	Very high	96.2	Very high	67 Å²	67	42.4 Å²	42.4	35%	0.351	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-40	-179.9	-67.2	175.7	0	0	0	112.1	L161 S175 L176 A183 V219	L161-L179 HydrophobicContact CD2-CD2 4.1Å; L161-L179 HydrophobicContact CD2-CG 4.39Å; S175-L179 WeakPolarHBondContact O-CG 3.22Å; S175-L179 PolarHBondContact O-N 3.3Å; L176-L179 PolarHBondContact O-N 3.47Å; L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 2.95Å; L179-V219 HydrophobicContact CD2-CB 4.19Å; L179-V219 HydrophobicContact CD2-CG1 3.96Å; L179-V219 HydrophobicContact CD2-CG2 3.74Å
180	Q	97.7	Very high	96.3	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-43.2	175.7	-71.8	176.9	-20.1	0	0	111.8	M140 L176 D177 A178 L182 A183 E184	M140-Q180 HydrophobicContact SD-CB 3.71Å; L176-Q180 HydrophobicContact CD1-CG 4.2Å; L176-Q180 HydrophobicContact CG-CG 4.41Å; L176-Q180 WeakPolarHBondContact O-CB 3.37Å; L176-Q180 VanDerWaalsContact O-CG 3.3Å; L176-Q180 WeakPolarHBondContact O-CG 3.33Å; L176-Q180 PolarHBondContact O-N 3.28Å; D177-Q180 PolarHBondContact O-N 3.22Å; A178-Q180 PolarHBondContact O-N 2.97Å; Q180-L182 PolarHBondContact O-N 3.29Å; Q180-A183 PolarHBondContact O-N 2.9Å; Q180-E184 PolarHBondContact O-N 2.85Å
181	T	97.9	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-43.9	177	-55.7	0	0	0	0	111	V133 P135 M140 L143 I156 D177 A178 E184 A185	V133-T181 HydrophobicContact CG1-CG2 4.09Å; P135-T181 HydrophobicContact CB-CG2 3.85Å; P135-T181 WeakPolarHBondContact CB-OG1 3.44Å; M140-T181 HydrophobicContact CB-CG2 4.47Å; L143-T181 HydrophobicContact CD1-CG2 3.94Å; I156-T181 HydrophobicContact CD1-CG2 3.91Å; I156-T181 HydrophobicContact CG1-CG2 4.47Å; I156-T181 HydrophobicContact CG2-CG2 4.27Å; D177-T181 VanDerWaalsContact O-CB 3.32Å; D177-T181 WeakPolarHBondContact O-CB 3.27Å; D177-T181 PolarHBondContact O-N 3.44Å; D177-T181 PolarHBondContact O-OG1 2.86Å; A178-T181 PolarHBondContact O-N 3.42Å; T181-E184 PolarHBondContact O-N 3.27Å; T181-A185 VanDerWaalsContact O-CB 3.28Å; T181-A185 WeakPolarHBondContact O-CB 3.49Å; T181-A185 PolarHBondContact O-N 3.31Å
182	L	97.7	Very high	96.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-46.3	175	-74.6	171.5	0	0	0	111.7	I156 V158 A178 Q180 E184 A185 R186 V193 V195 V219	I156-L182 HydrophobicContact CB-CD2 4.03Å; I156-L182 HydrophobicContact CD1-CD2 3.75Å; I156-L182 HydrophobicContact CD1-CG 4.35Å; I156-L182 HydrophobicContact CG1-CD2 4.4Å; I156-L182 HydrophobicContact CG2-CD2 4.25Å; V158-L182 HydrophobicContact CG2-CD1 4.03Å; V158-L182 HydrophobicContact CG2-CD2 4.37Å; V158-L182 HydrophobicContact CG2-CG 4.27Å; A178-L182 WeakPolarHBondContact O-CB 3.5Å; A178-L182 VanDerWaalsContact O-CG 3.31Å; A178-L182 WeakPolarHBondContact O-CG 3.39Å; A178-L182 PolarHBondContact O-N 3Å; Q180-L182 PolarHBondContact O-N 3.29Å; L182-E184 PolarHBondContact O-N 3.21Å; L182-A185 PolarHBondContact O-N 3Å; L182-R186 WeakPolarHBondContact O-CB 3.33Å; L182-R186 VanDerWaalsContact O-CG 3.24Å; L182-R186 WeakPolarHBondContact O-CG 3.47Å; L182-R186 PolarHBondContact O-N 2.76Å; L182-V193 HydrophobicContact CD2-CG1 4.09Å; L182-V195 HydrophobicContact CD2-CB 4.46Å; L182-V195 HydrophobicContact CD2-CG1 4.34Å; L182-V195 HydrophobicContact CD2-CG2 3.51Å; L182-V219 HydrophobicContact CD1-CG2 3.93Å
183	A	97.3	Very high	96.5	Very high	61 Å²	61	44.7 Å²	44.7	50%	0.504	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-44.3	-179.9	0	0	0	0	0	112.1	L179 Q180 K187	L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 2.95Å; Q180-A183 PolarHBondContact O-N 2.9Å; A183-K187 PolarHBondContact O-N 2.95Å; A183-K187 VanDerWaalsContact O-N 3.16Å
184	E	97.9	Very high	96.6	Very high	59 Å²	59	44.2 Å²	44.2	28%	0.276	24%	0.242	S	C	.	.	H	α-helix	trans	-68.9	-42.2	178	-174	61.9	-166.1	0	0	111.7	L143 Q180 T181 L182 R186 K187 L188	L143-E184 HydrophobicContact CD1-CB 4.1Å; L143-E184 HydrophobicContact CD1-CG 4.12Å; Q180-E184 PolarHBondContact O-N 2.85Å; T181-E184 PolarHBondContact O-N 3.27Å; L182-E184 PolarHBondContact O-N 3.21Å; E184-R186 VanDerWaalsContact C-N 3.32Å; E184-R186 PolarHBondContact O-N 3.1Å; E184-K187 WeakPolarHBondContact O-CB 3.1Å; E184-K187 PolarHBondContact O-N 2.94Å; E184-L188 HydrophobicContact CG-CD1 4.15Å; E184-L188 WeakPolarHBondContact O-CG 3.2Å; E184-L188 PolarHBondContact O-N 3.48Å; E184-L188 VanDerWaalsContact O-N 3.07Å
185	A	97.7	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-40.2	176.8	0	0	0	0	0	112.1	L143 F154 I156 T181 L182 K187 L188 C189 V193	L143-A185 HydrophobicContact CD1-CB 4.14Å; F154-A185 HydrophobicContact CB-CB 4.28Å; F154-A185 HydrophobicContact CD2-CB 3.89Å; F154-A185 HydrophobicContact CG-CB 4.34Å; I156-A185 HydrophobicContact CD1-CB 3.49Å; I156-A185 VanDerWaalsContact CD1-CB 3.49Å; T181-A185 VanDerWaalsContact O-CB 3.28Å; T181-A185 WeakPolarHBondContact O-CB 3.49Å; T181-A185 PolarHBondContact O-N 3.31Å; L182-A185 PolarHBondContact O-N 3Å; A185-K187 VanDerWaalsContact C-N 3.32Å; A185-K187 PolarHBondContact O-N 3.08Å; A185-L188 PolarHBondContact O-N 3.31Å; A185-C189 PolarHBondContact O-N 2.79Å; A185-V193 VanDerWaalsContact C-CG2 3.5Å; A185-V193 HydrophobicContact CB-CG1 4.33Å; A185-V193 HydrophobicContact CB-CG2 3.8Å
186	R	96.9	Very high	96.6	Very high	92 Å²	92	39.5 Å²	39.5	35%	0.347	21%	0.214	S	C	.	.	H	α-helix	trans	-67	-33.4	177.5	-75.1	176.1	64.5	-159.1	-7.6	112.7	L182 E184 L188 P190 V193 V219 D221	L182-R186 WeakPolarHBondContact O-CB 3.33Å; L182-R186 VanDerWaalsContact O-CG 3.24Å; L182-R186 WeakPolarHBondContact O-CG 3.47Å; L182-R186 PolarHBondContact O-N 2.76Å; E184-R186 VanDerWaalsContact C-N 3.32Å; E184-R186 PolarHBondContact O-N 3.1Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-P190 WeakPolarHBondContact O-CA 3.31Å; R186-P190 WeakPolarHBondContact O-CG 3.33Å; R186-V193 HydrophobicContact CB-CG2 4.46Å; R186-V193 HydrophobicContact CG-CB 4.07Å; R186-V193 HydrophobicContact CG-CG1 4.4Å; R186-V193 HydrophobicContact CG-CG2 3.86Å; R186-V219 WeakPolarHBondContact CD-O 3.49Å; R186-V219 PolarHBondContact NH1-O 2.84Å; R186-V219 VanDerWaalsContact NH1-O 3.1Å; R186-D221 HydrophobicContact CG-CB 3.97Å; R186-D221 IonicContact CZ-OD1 3.37Å; R186-D221 IonicContact NE-OD1 3.13Å; R186-D221 PolarHBondContact NE-OD1 3.41Å; R186-D221 IonicContact NH2-OD1 2.66Å
187	K	97	Very high	96.6	Very high	154 Å²	154	35 Å²	35	67%	0.67	19%	0.19	S	C	*	.	H	α-helix	trans	-66.9	-37.7	173.3	177.3	-174.5	171.7	-167.4	0	111.8	A183 E184 A185	A183-K187 PolarHBondContact O-N 2.95Å; A183-K187 VanDerWaalsContact O-N 3.16Å; E184-K187 WeakPolarHBondContact O-CB 3.1Å; E184-K187 PolarHBondContact O-N 2.94Å; A185-K187 VanDerWaalsContact C-N 3.32Å; A185-K187 PolarHBondContact O-N 3.08Å
188	L	97.7	Very high	96.6	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.157	19%	0.187	C	C	.	.	H	α-helix	trans	-78.4	-43.5	-179.4	-67.8	167.9	0	0	0	112.3	L143 K144 H147 F154 E184 A185 R186	L143-L188 HydrophobicContact CB-CD1 3.61Å; K144-L188 HydrophobicContact CB-CD1 4.45Å; K144-L188 HydrophobicContact CB-CD2 4.42Å; K144-L188 HydrophobicContact CG-CD2 4.4Å; H147-L188 HydrophobicContact CB-CD2 4.44Å; H147-L188 PolarHBondContact NE2-O 3.23Å; F154-L188 HydrophobicContact CE2-CB 4.35Å; F154-L188 HydrophobicContact CE2-CD1 4.45Å; E184-L188 HydrophobicContact CG-CD1 4.15Å; E184-L188 WeakPolarHBondContact O-CG 3.2Å; E184-L188 PolarHBondContact O-N 3.48Å; E184-L188 VanDerWaalsContact O-N 3.07Å; A185-L188 PolarHBondContact O-N 3.31Å; R186-L188 VanDerWaalsContact C-N 3.34Å
189	C	96	Very high	96.6	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.054	19%	0.188	C	C	.	.	S	Bend	trans	-127.9	71.5	-176.7	-56.2	0	0	0	0	111.2	N152 F154 A185 G191 G192	N152-C189 WeakPolarHBondContact O-CB 3.29Å; F154-C189 HydrophobicContact CD2-CB 4.32Å; F154-C189 WeakPolarHBondContact CE2-SG 3.41Å; A185-C189 PolarHBondContact O-N 2.79Å; C189-G191 PolarHBondContact O-N 2.94Å; C189-G192 WeakPolarHBondContact O-CA 3.39Å; C189-G192 PolarHBondContact O-N 3.31Å
190	P	94.9	Very high	96.6	Very high	104 Å²	104	31.6 Å²	31.6	68%	0.675	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	128.4	178.4	-19.9	30.8	0	0	0	111.5	R186 G192	R186-P190 WeakPolarHBondContact O-CA 3.31Å; R186-P190 WeakPolarHBondContact O-CG 3.33Å; P190-G192 PolarHBondContact O-N 2.76Å
191	G	92.8	Very high	96.6	Very high	21 Å²	21	27.7 Å²	27.7	22%	0.216	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-9.7	-173.8	0	0	0	0	0	114.3	C189 D221 S283	C189-G191 PolarHBondContact O-N 2.94Å; G191-D221 WeakPolarHBondContact CA-OD2 3.48Å; G191-D221 PolarHBondContact N-OD2 2.86Å; G191-S283 PolarHBondContact O-OG 3.5Å
192	G	94.1	Very high	96.4	Very high	12 Å²	12	28 Å²	28	12%	0.124	16%	0.156	C	C	.	.			trans	-105.4	24.7	-175.6	0	0	0	0	0	113.7	R153 F154 C189 P190	R153-G192 CarbonylContact C-O 3.55Å; R153-G192 WeakPolarHBondContact CA-O 3.49Å; R153-G192 VanDerWaalsContact CG-O 3.32Å; R153-G192 WeakPolarHBondContact CG-O 3.32Å; F154-G192 PolarHBondContact N-O 2.82Å; C189-G192 WeakPolarHBondContact O-CA 3.39Å; C189-G192 PolarHBondContact O-N 3.31Å; P190-G192 PolarHBondContact O-N 2.76Å
193	V	96.7	Very high	96.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.7	177.5	-177.1	0	0	0	0	111.2	F154 I156 L182 A185 R186 D221	F154-V193 WeakPolarHBondContact O-CA 3.18Å; I156-V193 HydrophobicContact CD1-CG1 3.96Å; I156-V193 HydrophobicContact CG1-CG1 4.49Å; L182-V193 HydrophobicContact CD2-CG1 4.09Å; A185-V193 VanDerWaalsContact C-CG2 3.5Å; A185-V193 HydrophobicContact CB-CG1 4.33Å; A185-V193 HydrophobicContact CB-CG2 3.8Å; R186-V193 HydrophobicContact CB-CG2 4.46Å; R186-V193 HydrophobicContact CG-CB 4.07Å; R186-V193 HydrophobicContact CG-CG1 4.4Å; R186-V193 HydrophobicContact CG-CG2 3.86Å; V193-D221 HydrophobicContact CB-CB 3.97Å
194	S	96.3	Very high	95.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.6	168.4	175.9	0	0	0	0	110.6	F154 S155 I156 D196 H223 S225	F154-S194 PolarHBondContact O-N 3.5Å; S155-S194 PolarHBondContact OG-OG 3.1Å; I156-S194 PolarHBondContact N-O 2.63Å; S194-D196 PolarHBondContact OG-OD1 3.4Å; S194-H223 WeakPolarHBondContact CA-O 3.23Å; S194-H223 VanDerWaalsContact CB-ND1 3.27Å; S194-H223 WeakPolarHBondContact CB-ND1 3.12Å; S194-H223 PolarHBondContact OG-CE1 3.38Å; S194-H223 PolarHBondContact OG-ND1 3.48Å; S194-S225 PolarHBondContact OG-OG 3.31Å
195	V	97.1	Very high	95.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.8	172.8	-170.2	0	0	0	0	109.5	V158 L182 I197 M216 C220 H223 V224 S225	V158-V195 HydrophobicContact CB-CG1 4.17Å; V158-V195 HydrophobicContact CG2-CG1 3.77Å; L182-V195 HydrophobicContact CD2-CB 4.46Å; L182-V195 HydrophobicContact CD2-CG1 4.34Å; L182-V195 HydrophobicContact CD2-CG2 3.51Å; V195-I197 HydrophobicContact CG1-CG2 3.98Å; V195-M216 HydrophobicContact CG1-CG 4.12Å; V195-M216 HydrophobicContact CG1-SD 3.87Å; V195-C220 HydrophobicContact CG2-CB 4.19Å; V195-H223 PolarHBondContact N-O 2.8Å; V195-H223 VanDerWaalsContact N-O 3.1Å; V195-V224 WeakPolarHBondContact O-CA 3.5Å; V195-S225 PolarHBondContact O-N 2.73Å
196	D	96.1	Very high	95.8	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.1	176.6	-49.1	-29.3	0	0	0	109.4	S155 I156 V158 Q159 S194 S225 Y227	S155-D196 PolarHBondContact OG-OD1 2.85Å; S155-D196 PolarHBondContact OG-OD2 3.37Å; I156-D196 PolarHBondContact O-N 2.96Å; V158-D196 PolarHBondContact N-O 3.43Å; Q159-D196 PolarHBondContact N-O 3Å; S194-D196 PolarHBondContact OG-OD1 3.4Å; D196-S225 WeakPolarHBondContact CA-O 3.47Å; D196-S225 WeakPolarHBondContact OD1-CB 3.24Å; D196-S225 PolarHBondContact OD1-OG 3.35Å; D196-Y227 HydrophobicContact CB-CD2 4.41Å; D196-Y227 HydrophobicContact CB-CE2 4.16Å
197	I	96.7	Very high	95.7	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.4	-178.5	59	-179.4	0	0	0	111.1	V195 W209 L213 M216 V224 S225 L226 Y227	V195-I197 HydrophobicContact CG1-CG2 3.98Å; I197-W209 HydrophobicContact CD1-CH2 3.85Å; I197-W209 HydrophobicContact CG1-CH2 4.26Å; I197-L213 HydrophobicContact CD1-CD1 3.56Å; I197-M216 HydrophobicContact CG2-CE 3.75Å; I197-M216 HydrophobicContact CG2-CG 3.88Å; I197-M216 HydrophobicContact CG2-SD 4.41Å; I197-V224 HydrophobicContact CD1-CG1 3.5Å; I197-V224 VanDerWaalsContact CD1-CG1 3.5Å; I197-V224 HydrophobicContact CG1-CG1 3.86Å; I197-S225 WeakPolarHBondContact CG1-O 3.43Å; I197-S225 PolarHBondContact N-O 2.65Å; I197-L226 HydrophobicContact CD1-CD1 3.97Å; I197-L226 HydrophobicContact CG1-CD1 3.86Å; I197-Y227 PolarHBondContact O-N 2.98Å
198	M	96.6	Very high	95.7	Very high	12 Å²	12	29 Å²	29	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.4	-174.6	-168.9	174.5	-77.8	0	0	111.9	Y55 Q159 L169 R201 Y227 L229	Y55-M198 HydrophobicContact CD2-CE 4.08Å; Y55-M198 HydrophobicContact CD2-SD 4.46Å; Y55-M198 HydrophobicContact CE2-CE 3.46Å; Y55-M198 VanDerWaalsContact CE2-CE 3.46Å; Y55-M198 HydrophobicContact CE2-SD 4.22Å; Q159-M198 HydrophobicContact CB-CB 4.37Å; Q159-M198 PolarHBondContact O-N 3.34Å; L169-M198 HydrophobicContact CD1-SD 4.48Å; L169-M198 HydrophobicContact CD2-SD 4.24Å; M198-R201 HydrophobicContact CG-CG 4.37Å; M198-R201 WeakPolarHBondContact O-CD 3.32Å; M198-R201 PolarHBondContact O-NH1 2.99Å; M198-Y227 VanDerWaalsContact CA-O 3.25Å; M198-Y227 WeakPolarHBondContact CA-O 3.27Å; M198-L229 HydrophobicContact CE-CD1 4.5Å; M198-L229 HydrophobicContact CG-CB 3.81Å; M198-L229 HydrophobicContact SD-CB 3.76Å; M198-L229 HydrophobicContact SD-CD1 3.64Å; M198-L229 HydrophobicContact SD-CD2 4.34Å; M198-L229 HydrophobicContact SD-CG 4.09Å
199	F	97.4	Very high	95.6	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	173.9	173.1	76.3	-79.6	0	0	0	111.1	R201 W209 L226 Y227 Q228 L229 T254 M257 Y258	F199-R201 VanDerWaalsContact C-N 3.32Å; F199-W209 HydrophobicContact CB-CD2 3.86Å; F199-W209 HydrophobicContact CB-CE3 3.95Å; F199-W209 HydrophobicContact CB-CH2 3.91Å; F199-W209 HydrophobicContact CB-CZ2 3.86Å; F199-W209 HydrophobicContact CB-CZ3 3.97Å; F199-W209 HydrophobicContact CG-CZ2 4.48Å; F199-L226 HydrophobicContact CD1-CD1 3.64Å; F199-L226 HydrophobicContact CD1-CG 3.98Å; F199-L226 HydrophobicContact CE1-CD1 4.17Å; F199-L226 HydrophobicContact CE1-CD2 4.47Å; F199-L226 HydrophobicContact CE1-CG 3.99Å; F199-Y227 WeakPolarHBondContact CD1-O 3.38Å; F199-Y227 PolarHBondContact N-O 3.37Å; F199-Q228 HydrophobicContact CD1-CB 4.48Å; F199-Q228 VanDerWaalsContact CE1-CA 3.47Å; F199-Q228 HydrophobicContact CE1-CB 3.71Å; F199-Q228 VanDerWaalsContact CE1-N 3.32Å; F199-Q228 HydrophobicContact CE2-CB 4.19Å; F199-Q228 HydrophobicContact CE2-CG 4.15Å; F199-Q228 HydrophobicContact CZ-CB 3.55Å; F199-Q228 HydrophobicContact CZ-CG 3.99Å; F199-L229 WeakPolarHBondContact O-CB 3.49Å; F199-L229 PolarHBondContact O-N 3.09Å; F199-T254 HydrophobicContact CD2-CG2 4.08Å; F199-T254 HydrophobicContact CE2-CG2 3.57Å; F199-T254 WeakPolarHBondContact CE2-O 3.44Å; F199-M257 HydrophobicContact CD2-CB 3.67Å; F199-M257 HydrophobicContact CD2-SD 4.26Å; F199-M257 HydrophobicContact CE2-CB 4.31Å; F199-M257 HydrophobicContact CG-CB 4.49Å; F199-Y258 HydrophobicContact CE1-CD2 4.29Å; F199-Y258 AromaticContact CZ-CD2 3.93Å; F199-Y258 HydrophobicContact CZ-CD2 3.93Å; F199-Y258 HydrophobicContact CZ-CG 4.33Å
200	G	96.9	Very high	95.6	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	71.8	26.8	-173.9	0	0	0	0	0	112.8	M248	G200-M248 WeakPolarHBondContact O-CE 3.28Å
201	R	96.2	Very high	95.7	Very high	4 Å²	4	31 Å²	31	2%	0.015	16%	0.164	C	C	.	.			trans	-75.6	158.8	-177.5	-57.2	-173.1	-52.2	-118.4	1.1	111.8	Q159 S160 D165 M198 F199 N203 Q204 E212 L229 P249	Q159-R201 PolarHBondContact O-NH1 2.98Å; Q159-R201 VanDerWaalsContact O-NH1 3.17Å; S160-R201 VanDerWaalsContact CB-NH1 3.31Å; S160-R201 PolarHBondContact OG-NH1 3.08Å; S160-R201 PolarHBondContact OG-NH2 3.33Å; D165-R201 IonicContact OD2-CZ 3.54Å; D165-R201 IonicContact OD2-NE 2.79Å; D165-R201 PolarHBondContact OD2-NE 3.48Å; D165-R201 IonicContact OD2-NH2 3.92Å; D165-R201 PolarHBondContact OD2-NH2 2.98Å; M198-R201 HydrophobicContact CG-CG 4.37Å; M198-R201 WeakPolarHBondContact O-CD 3.32Å; M198-R201 PolarHBondContact O-NH1 2.99Å; F199-R201 VanDerWaalsContact C-N 3.32Å; R201-N203 PolarHBondContact O-N 2.84Å; R201-Q204 HydrophobicContact CB-CB 4.26Å; R201-Q204 WeakPolarHBondContact O-CB 3.44Å; R201-Q204 PolarHBondContact O-N 2.92Å; R201-E212 IonicContact CZ-OE1 3.21Å; R201-E212 IonicContact CZ-OE2 2.81Å; R201-E212 IonicContact NH1-OE1 2.71Å; R201-E212 IonicContact NH1-OE2 3.24Å; R201-E212 PolarHBondContact NH1-OE2 3.1Å; R201-E212 IonicContact NH2-OE1 2.64Å; R201-E212 PolarHBondContact NH2-OE1 2.88Å; R201-E212 IonicContact NH2-OE2 3.87Å; R201-E212 PolarHBondContact NH2-OE2 3.46Å; R201-L229 HydrophobicContact CB-CD2 4.45Å; R201-L229 HydrophobicContact CG-CD2 4.36Å; R201-P249 VanDerWaalsContact O-CD 3.28Å; R201-P249 WeakPolarHBondContact O-CD 3.09Å; R201-P249 VanDerWaalsContact O-CG 3.3Å; R201-P249 WeakPolarHBondContact O-CG 3.14Å
202	P	95.1	Very high	95.9	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.039	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	131	175.7	-32.7	38.8	0	0	0	113.8	Q204 L237 V246 T247 M248	P202-Q204 PolarHBondContact O-N 3.47Å; P202-Q204 VanDerWaalsContact O-N 3.13Å; P202-L237 HydrophobicContact CG-CD1 3.93Å; P202-V246 HydrophobicContact CB-CG1 3.55Å; P202-V246 HydrophobicContact CG-CG1 3.7Å; P202-T247 WeakPolarHBondContact CA-O 3.22Å; P202-M248 HydrophobicContact CG-SD 3.89Å
203	N	90.1	Very high	96	Very high	111 Å²	111	29.7 Å²	29.7	59%	0.594	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	20.4	-179.8	-44.1	-65.8	0	0	0	115	R201 T247	R201-N203 PolarHBondContact O-N 2.84Å; N203-T247 PolarHBondContact N-O 3.42Å
204	Q	94.3	Very high	96	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	16%	0.162	C	C	.	.			trans	-80.3	139.1	176.2	-160.8	179.7	24.2	0	0	110	R201 P202 W209 P249 M257	R201-Q204 HydrophobicContact CB-CB 4.26Å; R201-Q204 WeakPolarHBondContact O-CB 3.44Å; R201-Q204 PolarHBondContact O-N 2.92Å; P202-Q204 PolarHBondContact O-N 3.47Å; P202-Q204 VanDerWaalsContact O-N 3.13Å; Q204-W209 HydrophobicContact CG-CB 4.31Å; Q204-P249 HydrophobicContact CB-CG 4.38Å; Q204-M257 VanDerWaalsContact C-CE 3.44Å; Q204-M257 HydrophobicContact CB-CE 3.8Å; Q204-M257 HydrophobicContact CG-CE 3.75Å; Q204-M257 HydrophobicContact CG-SD 4.43Å; Q204-M257 VanDerWaalsContact O-CE 3.25Å; Q204-M257 WeakPolarHBondContact O-CE 3.24Å
205	T	95.6	Very high	95.9	Very high	56 Å²	56	34.9 Å²	34.9	34%	0.344	18%	0.178	S	C	.	.			trans	-113.5	162.1	171	77.3	0	0	0	0	110.1	E207 L208 W209 M257	T205-E207 VanDerWaalsContact CB-OE2 3.23Å; T205-E207 WeakPolarHBondContact CB-OE2 3.41Å; T205-E207 PolarHBondContact O-N 3.46Å; T205-E207 PolarHBondContact OG1-OE2 2.8Å; T205-L208 HydrophobicContact CG2-CD1 4.47Å; T205-L208 PolarHBondContact O-N 3.06Å; T205-L208 PolarHBondContact OG1-N 3.19Å; T205-W209 WeakPolarHBondContact O-CB 3.41Å; T205-W209 PolarHBondContact O-N 3.26Å; T205-M257 WeakPolarHBondContact O-CE 3.21Å
206	T	96.7	Very high	95.9	Very high	24 Å²	24	35 Å²	35	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-37.2	179.7	-53.8	0	0	0	0	111.8	W209 S210 E256 C260	T206-W209 PolarHBondContact O-N 3.08Å; T206-S210 WeakPolarHBondContact O-CB 3.44Å; T206-S210 PolarHBondContact O-N 3.15Å; T206-E256 HydrophobicContact CG2-CB 4.25Å; T206-E256 PolarHBondContact OG1-OE2 2.72Å; T206-C260 HydrophobicContact CG2-CB 4.36Å
207	E	96.2	Very high	95.8	Very high	135 Å²	135	35.3 Å²	35.3	63%	0.631	18%	0.18	S	C	*	.	H	α-helix	trans	-69	-44.7	178.9	-54.7	71.3	-153.5	0	0	111.9	T205 W209 S210 R211	T205-E207 VanDerWaalsContact CB-OE2 3.23Å; T205-E207 WeakPolarHBondContact CB-OE2 3.41Å; T205-E207 PolarHBondContact O-N 3.46Å; T205-E207 PolarHBondContact OG1-OE2 2.8Å; E207-W209 VanDerWaalsContact C-N 3.3Å; E207-W209 PolarHBondContact O-N 3.3Å; E207-S210 PolarHBondContact O-N 3.24Å; E207-R211 PolarHBondContact O-N 3.25Å; E207-R211 VanDerWaalsContact O-N 3.09Å
208	L	95.4	Very high	95.7	Very high	56 Å²	56	44.8 Å²	44.8	29%	0.293	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-41.4	177.2	-70.7	178	0	0	0	111	T205 E212	T205-L208 HydrophobicContact CG2-CD1 4.47Å; T205-L208 PolarHBondContact O-N 3.06Å; T205-L208 PolarHBondContact OG1-N 3.19Å; L208-E212 PolarHBondContact O-N 3.04Å; L208-E212 VanDerWaalsContact O-N 3.15Å
209	W	97.1	Very high	95.5	Very high	3 Å²	3	46 Å²	46	1%	0.011	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-50.8	175.4	167.5	-120.5	0	0	0	112.1	I197 F199 Q204 T205 T206 E207 R211 E212 L213 L226 M257 A261	I197-W209 HydrophobicContact CD1-CH2 3.85Å; I197-W209 HydrophobicContact CG1-CH2 4.26Å; F199-W209 HydrophobicContact CB-CD2 3.86Å; F199-W209 HydrophobicContact CB-CE3 3.95Å; F199-W209 HydrophobicContact CB-CH2 3.91Å; F199-W209 HydrophobicContact CB-CZ2 3.86Å; F199-W209 HydrophobicContact CB-CZ3 3.97Å; F199-W209 HydrophobicContact CG-CZ2 4.48Å; Q204-W209 HydrophobicContact CG-CB 4.31Å; T205-W209 WeakPolarHBondContact O-CB 3.41Å; T205-W209 PolarHBondContact O-N 3.26Å; T206-W209 PolarHBondContact O-N 3.08Å; E207-W209 VanDerWaalsContact C-N 3.3Å; E207-W209 PolarHBondContact O-N 3.3Å; W209-R211 VanDerWaalsContact C-N 3.31Å; W209-R211 PolarHBondContact O-N 3.4Å; W209-E212 PolarHBondContact O-N 3.07Å; W209-L213 HydrophobicContact CH2-CB 4.39Å; W209-L213 HydrophobicContact CH2-CD1 4.22Å; W209-L213 HydrophobicContact CZ2-CB 4.31Å; W209-L213 HydrophobicContact CZ2-CD1 4.29Å; W209-L213 HydrophobicContact CZ2-CD2 4.07Å; W209-L213 HydrophobicContact CZ2-CG 4.47Å; W209-L213 WeakPolarHBondContact O-CB 3.43Å; W209-L213 PolarHBondContact O-N 2.95Å; W209-L226 HydrophobicContact CH2-CD1 3.54Å; W209-L226 HydrophobicContact CZ2-CD1 3.5Å; W209-L226 VanDerWaalsContact CZ2-CD1 3.5Å; W209-M257 HydrophobicContact CB-CE 4.48Å; W209-M257 HydrophobicContact CB-CG 4.07Å; W209-M257 HydrophobicContact CB-SD 4.38Å; W209-M257 HydrophobicContact CG-CB 4.18Å; W209-M257 HydrophobicContact CG-CG 4Å; W209-M257 PolarHBondContact NE1-O 2.98Å; W209-A261 HydrophobicContact CZ2-CB 3.71Å
210	S	96.4	Very high	95.2	Very high	40 Å²	40	46.2 Å²	46.2	28%	0.28	23%	0.226	S	C	.	.	H	α-helix	trans	-57.5	-43.3	-179.3	-178.3	0	0	0	0	112.4	T206 E207 S214	T206-S210 WeakPolarHBondContact O-CB 3.44Å; T206-S210 PolarHBondContact O-N 3.15Å; E207-S210 PolarHBondContact O-N 3.24Å; S210-S214 WeakPolarHBondContact O-CB 3.48Å; S210-S214 PolarHBondContact O-N 2.81Å; S210-S214 VanDerWaalsContact O-N 3.07Å; S210-S214 PolarHBondContact O-OG 3.47Å
211	R	96.3	Very high	95	Very high	139 Å²	139	46.9 Å²	46.9	53%	0.525	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-48.9	177	-177.3	177.7	63.2	-176.8	-0.3	111.8	E207 W209 S214 E215	E207-R211 PolarHBondContact O-N 3.25Å; E207-R211 VanDerWaalsContact O-N 3.09Å; W209-R211 VanDerWaalsContact C-N 3.31Å; W209-R211 PolarHBondContact O-N 3.4Å; R211-S214 WeakPolarHBondContact O-CB 3.22Å; R211-S214 PolarHBondContact O-N 2.89Å; R211-E215 WeakPolarHBondContact O-CG 3.13Å; R211-E215 PolarHBondContact O-N 3.44Å
212	E	96.4	Very high	94.9	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-39.5	-178.8	-172.6	-172	-145.2	0	0	112.1	S160 L161 Q162 R201 L208 W209 S214 E215 M216	S160-E212 VanDerWaalsContact CA-OE1 3.31Å; S160-E212 WeakPolarHBondContact CA-OE1 3.49Å; S160-E212 WeakPolarHBondContact CB-OE1 3.31Å; S160-E212 PolarHBondContact OG-OE1 3.19Å; L161-E212 HydrophobicContact CB-CG 4.34Å; L161-E212 PolarHBondContact N-OE1 2.94Å; Q162-E212 PolarHBondContact N-OE1 3.46Å; R201-E212 IonicContact CZ-OE1 3.21Å; R201-E212 IonicContact CZ-OE2 2.81Å; R201-E212 IonicContact NH1-OE1 2.71Å; R201-E212 IonicContact NH1-OE2 3.24Å; R201-E212 PolarHBondContact NH1-OE2 3.1Å; R201-E212 IonicContact NH2-OE1 2.64Å; R201-E212 PolarHBondContact NH2-OE1 2.88Å; R201-E212 IonicContact NH2-OE2 3.87Å; R201-E212 PolarHBondContact NH2-OE2 3.46Å; L208-E212 PolarHBondContact O-N 3.04Å; L208-E212 VanDerWaalsContact O-N 3.15Å; W209-E212 PolarHBondContact O-N 3.07Å; E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 2.99Å; E212-E215 WeakPolarHBondContact O-CB 3.46Å; E212-E215 PolarHBondContact O-N 3.45Å; E212-M216 PolarHBondContact O-N 3.06Å
213	L	97.3	Very high	95.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-46.6	173.7	177.6	62.4	0	0	0	110.5	I197 W209 E215 M216 L217 A261 T264	I197-L213 HydrophobicContact CD1-CD1 3.56Å; W209-L213 HydrophobicContact CH2-CB 4.39Å; W209-L213 HydrophobicContact CH2-CD1 4.22Å; W209-L213 HydrophobicContact CZ2-CB 4.31Å; W209-L213 HydrophobicContact CZ2-CD1 4.29Å; W209-L213 HydrophobicContact CZ2-CD2 4.07Å; W209-L213 HydrophobicContact CZ2-CG 4.47Å; W209-L213 WeakPolarHBondContact O-CB 3.43Å; W209-L213 PolarHBondContact O-N 2.95Å; L213-E215 VanDerWaalsContact C-N 3.29Å; L213-E215 PolarHBondContact O-N 3.11Å; L213-M216 PolarHBondContact O-N 2.82Å; L213-M216 VanDerWaalsContact O-N 3.14Å; L213-L217 HydrophobicContact CD1-CD1 4.34Å; L213-L217 HydrophobicContact CD1-CD2 4.38Å; L213-L217 HydrophobicContact CD1-CG 4.16Å; L213-L217 HydrophobicContact CG-CD1 4.18Å; L213-L217 HydrophobicContact CG-CG 4.39Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.25Å; L213-L217 PolarHBondContact O-N 2.77Å; L213-A261 HydrophobicContact CD2-CB 3.89Å; L213-T264 HydrophobicContact CD2-CG2 4Å; L213-T264 HydrophobicContact CG-CG2 4.34Å
214	S	95.4	Very high	95.4	Very high	41 Å²	41	42.3 Å²	42.3	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-61.1	-36.5	177.4	-59.1	0	0	0	0	112.8	S210 R211 E212	S210-S214 WeakPolarHBondContact O-CB 3.48Å; S210-S214 PolarHBondContact O-N 2.81Å; S210-S214 VanDerWaalsContact O-N 3.07Å; S210-S214 PolarHBondContact O-OG 3.47Å; R211-S214 WeakPolarHBondContact O-CB 3.22Å; R211-S214 PolarHBondContact O-N 2.89Å; E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 2.99Å
215	E	95.3	Very high	95.5	Very high	69 Å²	69	42 Å²	42	32%	0.322	20%	0.203	S	C	.	.	H	α-helix	trans	-66.5	-44.3	173.2	-71.5	170	-173.4	0	0	111.4	L161 R211 E212 L213 L217 R218	L161-E215 HydrophobicContact CD1-CB 4.05Å; R211-E215 WeakPolarHBondContact O-CG 3.13Å; R211-E215 PolarHBondContact O-N 3.44Å; E212-E215 WeakPolarHBondContact O-CB 3.46Å; E212-E215 PolarHBondContact O-N 3.45Å; L213-E215 VanDerWaalsContact C-N 3.29Å; L213-E215 PolarHBondContact O-N 3.11Å; E215-L217 PolarHBondContact O-N 3.28Å; E215-R218 WeakPolarHBondContact O-CB 3.49Å; E215-R218 PolarHBondContact O-N 3.07Å
216	M	95.6	Very high	95.6	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-41.9	179.4	-167.8	69	76.3	0	0	112.2	V158 L161 V195 I197 E212 L213 R218 V219 C220	V158-M216 HydrophobicContact CB-CE 4.06Å; V158-M216 HydrophobicContact CG1-CE 3.38Å; V158-M216 HydrophobicContact CG1-SD 4.18Å; L161-M216 HydrophobicContact CD1-CB 4.43Å; L161-M216 HydrophobicContact CD1-CE 3.98Å; L161-M216 HydrophobicContact CD1-SD 4.17Å; L161-M216 HydrophobicContact CD2-CE 3.65Å; L161-M216 HydrophobicContact CD2-SD 4.06Å; L161-M216 HydrophobicContact CG-CE 3.47Å; L161-M216 VanDerWaalsContact CG-CE 3.47Å; L161-M216 HydrophobicContact CG-SD 4.18Å; V195-M216 HydrophobicContact CG1-CG 4.12Å; V195-M216 HydrophobicContact CG1-SD 3.87Å; I197-M216 HydrophobicContact CG2-CE 3.75Å; I197-M216 HydrophobicContact CG2-CG 3.88Å; I197-M216 HydrophobicContact CG2-SD 4.41Å; E212-M216 PolarHBondContact O-N 3.06Å; L213-M216 PolarHBondContact O-N 2.82Å; L213-M216 VanDerWaalsContact O-N 3.14Å; M216-R218 PolarHBondContact O-N 3.21Å; M216-R218 VanDerWaalsContact O-N 3.08Å; M216-V219 WeakPolarHBondContact O-CG2 3.47Å; M216-V219 PolarHBondContact O-N 3.4Å; M216-V219 HydrophobicContact SD-CG2 4.02Å; M216-C220 PolarHBondContact O-N 2.93Å; M216-C220 PolarHBondContact O-SG 2.91Å
217	L	95.2	Very high	95.5	Very high	17 Å²	17	42 Å²	42	9%	0.089	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-18.8	-178.4	-67.6	177.9	0	0	0	113.7	L213 E215 V219 V224 T264 L265 H268 F270	L213-L217 HydrophobicContact CD1-CD1 4.34Å; L213-L217 HydrophobicContact CD1-CD2 4.38Å; L213-L217 HydrophobicContact CD1-CG 4.16Å; L213-L217 HydrophobicContact CG-CD1 4.18Å; L213-L217 HydrophobicContact CG-CG 4.39Å; L213-L217 VanDerWaalsContact O-CG 3.3Å; L213-L217 WeakPolarHBondContact O-CG 3.25Å; L213-L217 PolarHBondContact O-N 2.77Å; E215-L217 PolarHBondContact O-N 3.28Å; L217-V219 PolarHBondContact O-N 2.92Å; L217-V224 HydrophobicContact CD2-CG2 4.22Å; L217-T264 HydrophobicContact CD1-CG2 3.85Å; L217-L265 HydrophobicContact CD1-CD2 4.41Å; L217-L265 HydrophobicContact CD2-CD2 3.58Å; L217-H268 HydrophobicContact CD1-CB 4.2Å; L217-F270 HydrophobicContact CD2-CD2 4.42Å; L217-F270 HydrophobicContact CD2-CE2 3.92Å; L217-F270 HydrophobicContact CD2-CZ 4.43Å
218	R	93.8	Very high	95.5	Very high	203 Å²	203	40.7 Å²	40.7	77%	0.766	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-22	172.9	-63.1	174.4	-179.5	-177.3	-0.9	113.1	E215 M216	E215-R218 WeakPolarHBondContact O-CB 3.49Å; E215-R218 PolarHBondContact O-N 3.07Å; M216-R218 PolarHBondContact O-N 3.21Å; M216-R218 VanDerWaalsContact O-N 3.08Å
219	V	92.2	Very high	95.5	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.236	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-15.4	-175.1	-59.9	0	0	0	0	113.1	L179 L182 R186 M216 L217	L179-V219 HydrophobicContact CD2-CB 4.19Å; L179-V219 HydrophobicContact CD2-CG1 3.96Å; L179-V219 HydrophobicContact CD2-CG2 3.74Å; L182-V219 HydrophobicContact CD1-CG2 3.93Å; R186-V219 WeakPolarHBondContact CD-O 3.49Å; R186-V219 PolarHBondContact NH1-O 2.84Å; R186-V219 VanDerWaalsContact NH1-O 3.1Å; M216-V219 WeakPolarHBondContact O-CG2 3.47Å; M216-V219 PolarHBondContact O-N 3.4Å; M216-V219 HydrophobicContact SD-CG2 4.02Å; L217-V219 PolarHBondContact O-N 2.92Å
220	C	91.2	Very high	95.3	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.054	20%	0.198	C	C	.	.			trans	-58.5	149.9	169.5	-70.1	0	0	0	0	112	V195 M216 V224 F270	V195-C220 HydrophobicContact CG2-CB 4.19Å; M216-C220 PolarHBondContact O-N 2.93Å; M216-C220 PolarHBondContact O-SG 2.91Å; C220-V224 HydrophobicContact CB-CG2 4.24Å; C220-F270 HydrophobicContact CB-CZ 4.33Å
221	D	92.7	Very high	95.2	Very high	16 Å²	16	42.9 Å²	42.9	9%	0.086	20%	0.2	C	C	.	.			trans	-92.9	-118.7	172.2	-149	31.9	0	0	0	109.1	R186 G191 V193 F270 K280	R186-D221 HydrophobicContact CG-CB 3.97Å; R186-D221 IonicContact CZ-OD1 3.37Å; R186-D221 IonicContact NE-OD1 3.13Å; R186-D221 PolarHBondContact NE-OD1 3.41Å; R186-D221 IonicContact NH2-OD1 2.66Å; G191-D221 WeakPolarHBondContact CA-OD2 3.48Å; G191-D221 PolarHBondContact N-OD2 2.86Å; V193-D221 HydrophobicContact CB-CB 3.97Å; D221-F270 WeakPolarHBondContact O-CZ 3.32Å; D221-K280 VanDerWaalsContact O-CE 3.25Å; D221-K280 WeakPolarHBondContact O-CE 3.44Å; D221-K280 PolarHBondContact O-NZ 2.9Å; D221-K280 VanDerWaalsContact O-NZ 3.08Å
222	D	95.8	Very high	95.1	Very high	22 Å²	22	39.7 Å²	39.7	12%	0.118	19%	0.191	C	C	.	.	S	Bend	trans	-108.2	1.4	-173.3	-68.1	0.7	0	0	0	114.2	A279 K280 N281 S283	D222-A279 CarbonylContact O-C 3.59Å; D222-A279 VanDerWaalsContact O-CA 3.28Å; D222-A279 WeakPolarHBondContact O-CA 3.25Å; D222-K280 HydrophobicContact CB-CG 3.86Å; D222-K280 PolarHBondContact O-N 3.32Å; D222-K280 WeakPolarHBondContact OD1-CE 3.43Å; D222-K280 IonicContact OD1-NZ 3.56Å; D222-N281 WeakPolarHBondContact OD2-CB 3.21Å; D222-N281 PolarHBondContact OD2-ND2 2.82Å; D222-S283 VanDerWaalsContact CB-OG 3.27Å; D222-S283 WeakPolarHBondContact CB-OG 3.26Å
223	H	97.5	Very high	95	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.4	178.4	-171.9	-81.2	0	0	0	113.5	R153 S194 V195 Y273 N277 F278 S283	R153-H223 PolarHBondContact NH2-CD2 3.26Å; R153-H223 PolarHBondContact NH2-ND1 3.46Å; R153-H223 PolarHBondContact NH2-NE2 2.99Å; S194-H223 WeakPolarHBondContact CA-O 3.23Å; S194-H223 VanDerWaalsContact CB-ND1 3.27Å; S194-H223 WeakPolarHBondContact CB-ND1 3.12Å; S194-H223 PolarHBondContact OG-CE1 3.38Å; S194-H223 PolarHBondContact OG-ND1 3.48Å; V195-H223 PolarHBondContact N-O 2.8Å; V195-H223 VanDerWaalsContact N-O 3.1Å; H223-Y273 AromaticContact CD2-CE1 3.94Å; H223-Y273 AromaticContact NE2-CE1 3.5Å; H223-Y273 AromaticContact NE2-CZ 3.67Å; H223-Y273 PolarHBondContact NE2-OH 2.75Å; H223-N277 PolarHBondContact CE1-OD1 3.44Å; H223-F278 WeakPolarHBondContact CA-O 3.43Å; H223-S283 PolarHBondContact CD2-O 3.47Å
224	V	97.9	Very high	94.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125	175.7	177	0	0	0	0	109.8	V195 I197 L217 C220 L265 F270 N277 F278	V195-V224 WeakPolarHBondContact O-CA 3.5Å; I197-V224 HydrophobicContact CD1-CG1 3.5Å; I197-V224 VanDerWaalsContact CD1-CG1 3.5Å; I197-V224 HydrophobicContact CG1-CG1 3.86Å; L217-V224 HydrophobicContact CD2-CG2 4.22Å; C220-V224 HydrophobicContact CB-CG2 4.24Å; V224-L265 HydrophobicContact CB-CD2 4.22Å; V224-L265 HydrophobicContact CG1-CD2 4.29Å; V224-L265 HydrophobicContact CG2-CD2 4.13Å; V224-F270 HydrophobicContact CG2-CD1 4.33Å; V224-F270 HydrophobicContact CG2-CE1 3.86Å; V224-F270 HydrophobicContact CG2-CZ 4.1Å; V224-N277 WeakPolarHBondContact O-CA 3.32Å; V224-F278 PolarHBondContact N-O 2.93Å; V224-F278 PolarHBondContact O-N 2.8Å
225	S	96.7	Very high	94.7	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.1	168.3	-35.9	0	0	0	0	109.1	S194 V195 D196 I197 Y227 N277	S194-S225 PolarHBondContact OG-OG 3.31Å; V195-S225 PolarHBondContact O-N 2.73Å; D196-S225 WeakPolarHBondContact CA-O 3.47Å; D196-S225 WeakPolarHBondContact OD1-CB 3.24Å; D196-S225 PolarHBondContact OD1-OG 3.35Å; I197-S225 WeakPolarHBondContact CG1-O 3.43Å; I197-S225 PolarHBondContact N-O 2.65Å; S225-Y227 VanDerWaalsContact CB-CE2 3.46Å; S225-N277 VanDerWaalsContact CA-OD1 3.22Å; S225-N277 WeakPolarHBondContact CA-OD1 3.49Å; S225-N277 WeakPolarHBondContact CB-OD1 3.45Å; S225-N277 PolarHBondContact OG-OD1 2.74Å; S225-N277 VanDerWaalsContact OG-OD1 3.09Å
226	L	96.8	Very high	94.8	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	107.1	-178	179	66.3	0	0	0	110.4	I197 F199 W209 Y258 A261 L265 S276 F278	I197-L226 HydrophobicContact CD1-CD1 3.97Å; I197-L226 HydrophobicContact CG1-CD1 3.86Å; F199-L226 HydrophobicContact CD1-CD1 3.64Å; F199-L226 HydrophobicContact CD1-CG 3.98Å; F199-L226 HydrophobicContact CE1-CD1 4.17Å; F199-L226 HydrophobicContact CE1-CD2 4.47Å; F199-L226 HydrophobicContact CE1-CG 3.99Å; W209-L226 HydrophobicContact CH2-CD1 3.54Å; W209-L226 HydrophobicContact CZ2-CD1 3.5Å; W209-L226 VanDerWaalsContact CZ2-CD1 3.5Å; L226-Y258 HydrophobicContact CD2-CD2 4.07Å; L226-Y258 HydrophobicContact CD2-CE2 4.21Å; L226-A261 HydrophobicContact CD1-CB 4.37Å; L226-A261 HydrophobicContact CD2-CB 3.54Å; L226-L265 HydrophobicContact CD2-CD1 4.32Å; L226-S276 WeakPolarHBondContact CA-O 3.38Å; L226-S276 WeakPolarHBondContact CB-O 3.39Å; L226-S276 PolarHBondContact N-O 3.28Å; L226-F278 HydrophobicContact CB-CD2 4.31Å; L226-F278 HydrophobicContact CB-CE2 4.02Å; L226-F278 HydrophobicContact CD2-CE2 3.88Å; L226-F278 HydrophobicContact CD2-CZ 4.33Å
227	Y	95.5	Very high	94.8	Very high	78 Å²	78	52.2 Å²	52.2	31%	0.306	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.7	-179.6	-64.8	-70.3	0	0	0	112.3	D196 I197 M198 F199 S225	D196-Y227 HydrophobicContact CB-CD2 4.41Å; D196-Y227 HydrophobicContact CB-CE2 4.16Å; I197-Y227 PolarHBondContact O-N 2.98Å; M198-Y227 VanDerWaalsContact CA-O 3.25Å; M198-Y227 WeakPolarHBondContact CA-O 3.27Å; F199-Y227 WeakPolarHBondContact CD1-O 3.38Å; F199-Y227 PolarHBondContact N-O 3.37Å; S225-Y227 VanDerWaalsContact CB-CE2 3.46Å
228	Q	95.6	Very high	94.8	Very high	107 Å²	107	53.2 Å²	53.2	50%	0.5	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.9	163	-175.7	178.2	-27	0	0	109.1	F199 T230 T254	F199-Q228 HydrophobicContact CD1-CB 4.48Å; F199-Q228 VanDerWaalsContact CE1-CA 3.47Å; F199-Q228 HydrophobicContact CE1-CB 3.71Å; F199-Q228 VanDerWaalsContact CE1-N 3.32Å; F199-Q228 HydrophobicContact CE2-CB 4.19Å; F199-Q228 HydrophobicContact CE2-CG 4.15Å; F199-Q228 HydrophobicContact CZ-CB 3.55Å; F199-Q228 HydrophobicContact CZ-CG 3.99Å; Q228-T230 PolarHBondContact O-N 3.02Å; Q228-T230 VanDerWaalsContact O-N 3.13Å; Q228-T254 HydrophobicContact CG-CG2 3.89Å
229	L	95.9	Very high	94.9	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	25%	0.249	C	C	.	.			trans	-72.1	103.8	169.9	178.3	55.8	0	0	0	110.5	Y55 L169 M198 F199 R201 L237 M248	Y55-L229 VanDerWaalsContact CB-CD1 3.5Å; Y55-L229 HydrophobicContact CD2-CD1 3.83Å; Y55-L229 HydrophobicContact CG-CD1 3.73Å; L169-L229 HydrophobicContact CD2-CD1 4.48Å; L169-L229 HydrophobicContact CD2-CD2 3.95Å; M198-L229 HydrophobicContact CE-CD1 4.5Å; M198-L229 HydrophobicContact CG-CB 3.81Å; M198-L229 HydrophobicContact SD-CB 3.76Å; M198-L229 HydrophobicContact SD-CD1 3.64Å; M198-L229 HydrophobicContact SD-CD2 4.34Å; M198-L229 HydrophobicContact SD-CG 4.09Å; F199-L229 WeakPolarHBondContact O-CB 3.49Å; F199-L229 PolarHBondContact O-N 3.09Å; R201-L229 HydrophobicContact CB-CD2 4.45Å; R201-L229 HydrophobicContact CG-CD2 4.36Å; L229-L237 HydrophobicContact CD1-CD2 4.12Å; L229-L237 HydrophobicContact CD2-CD2 3.76Å; L229-L237 HydrophobicContact CG-CD2 4.19Å; L229-M248 HydrophobicContact CD2-CE 4.03Å; L229-M248 HydrophobicContact CG-CE 4.18Å
230	T	92.8	Very high	95.1	Very high	76 Å²	76	49.8 Å²	49.8	47%	0.466	25%	0.246	S	C	.	.			trans	-87.8	138.9	175.2	-54.4	0	0	0	0	111.6	Q228 E232	Q228-T230 PolarHBondContact O-N 3.02Å; Q228-T230 VanDerWaalsContact O-N 3.13Å; T230-E232 PolarHBondContact O-N 2.73Å
231	L	93.7	Very high	95.3	Very high	61 Å²	61	51.1 Å²	51.1	32%	0.319	25%	0.254	S	S	.	.			trans	-81.5	96	174.6	-72.6	-175.7	0	0	0	111.8	L237 F238 V241 M248	L231-L237 HydrophobicContact CD2-CD2 3.86Å; L231-L237 HydrophobicContact CD2-CG 3.79Å; L231-F238 HydrophobicContact CB-CD2 4.28Å; L231-V241 HydrophobicContact CD1-CB 4.22Å; L231-V241 HydrophobicContact CD1-CG1 3.9Å; L231-V241 HydrophobicContact CD1-CG2 4.22Å; L231-V241 HydrophobicContact CD2-CG2 4Å; L231-M248 HydrophobicContact CD1-CG 3.84Å; L231-M248 HydrophobicContact CD2-CE 4.17Å; L231-M248 HydrophobicContact CD2-CG 4.12Å; L231-M248 HydrophobicContact CD2-SD 4.06Å; L231-M248 HydrophobicContact CG-CE 4.36Å; L231-M248 HydrophobicContact CG-CG 4.19Å
232	E	94.5	Very high	95.5	Very high	71 Å²	71	57.5 Å²	57.5	33%	0.332	28%	0.283	S	S	.	.			trans	-84.5	127	-179.7	-68.3	-64.3	150.1	0	0	112.5	N57 T230 G234 T235 F238	N57-E232 HydrophobicContact CB-CB 3.65Å; N57-E232 HydrophobicContact CB-CG 3.67Å; N57-E232 PolarHBondContact ND2-OE2 3.32Å; T230-E232 PolarHBondContact O-N 2.73Å; E232-G234 PolarHBondContact O-N 2.92Å; E232-T235 HydrophobicContact CB-CG2 3.64Å; E232-T235 WeakPolarHBondContact O-CB 3.47Å; E232-T235 WeakPolarHBondContact O-CG2 3.12Å; E232-T235 PolarHBondContact O-N 3.15Å; E232-T235 PolarHBondContact O-OG1 3Å; E232-F238 WeakPolarHBondContact O-CB 3.46Å
233	R	94.1	Very high	95.5	Very high	198 Å²	198	59.8 Å²	59.8	75%	0.747	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	138.5	176.6	-70	-177.6	-176.1	-100.6	0.7	110.5	T235 F238	R233-T235 VanDerWaalsContact C-N 3.32Å; R233-F238 HydrophobicContact CG-CD2 4.27Å; R233-F238 HydrophobicContact CG-CE1 4.45Å; R233-F238 HydrophobicContact CG-CE2 3.74Å; R233-F238 HydrophobicContact CG-CZ 3.85Å
234	G	91.8	Very high	95.4	Very high	64 Å²	64	62.6 Å²	62.6	66%	0.66	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	-9.8	179.9	0	0	0	0	0	114.8	E232	E232-G234 PolarHBondContact O-N 2.92Å
235	T	94.9	Very high	95.2	Very high	11 Å²	11	69.4 Å²	69.4	7%	0.067	36%	0.363	C	S	.	.	S	Bend	trans	-79.1	163	175.3	68	0	0	0	0	112.5	T54 N57 E232 R233 F238 K239	T54-T235 WeakPolarHBondContact O-CB 3.34Å; N57-T235 HydrophobicContact CB-CG2 4.3Å; E232-T235 HydrophobicContact CB-CG2 3.64Å; E232-T235 WeakPolarHBondContact O-CB 3.47Å; E232-T235 WeakPolarHBondContact O-CG2 3.12Å; E232-T235 PolarHBondContact O-N 3.15Å; E232-T235 PolarHBondContact O-OG1 3Å; R233-T235 VanDerWaalsContact C-N 3.32Å; T235-F238 WeakPolarHBondContact OG1-CB 3.42Å; T235-F238 PolarHBondContact OG1-N 3.46Å; T235-K239 WeakPolarHBondContact O-CG 3.2Å; T235-K239 PolarHBondContact O-N 2.92Å
236	Q	95.8	Very high	95.1	Very high	108 Å²	108	70.4 Å²	70.4	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-67.1	-42.4	177.6	179.8	176	1.8	0	0	111	T54 F238 K239 Q240	T54-Q236 HydrophobicContact CG2-CB 4.5Å; T54-Q236 HydrophobicContact CG2-CG 4.49Å; T54-Q236 PolarHBondContact O-N 3.31Å; T54-Q236 VanDerWaalsContact O-N 3.07Å; Q236-F238 VanDerWaalsContact C-N 3.33Å; Q236-F238 PolarHBondContact O-N 3.28Å; Q236-K239 PolarHBondContact O-N 3.49Å; Q236-Q240 HydrophobicContact CG-CG 4.47Å; Q236-Q240 WeakPolarHBondContact O-CG 3.32Å; Q236-Q240 PolarHBondContact O-N 3.49Å
237	L	95.7	Very high	94.9	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-60.5	-44	178.7	-179.4	62.4	0	0	0	111	T54 P202 L229 L231 K239 Q240 V241 V246	T54-L237 WeakPolarHBondContact O-CB 3.4Å; T54-L237 PolarHBondContact O-N 3.02Å; P202-L237 HydrophobicContact CG-CD1 3.93Å; L229-L237 HydrophobicContact CD1-CD2 4.12Å; L229-L237 HydrophobicContact CD2-CD2 3.76Å; L229-L237 HydrophobicContact CG-CD2 4.19Å; L231-L237 HydrophobicContact CD2-CD2 3.86Å; L231-L237 HydrophobicContact CD2-CG 3.79Å; L237-K239 VanDerWaalsContact C-N 3.3Å; L237-K239 PolarHBondContact O-N 2.92Å; L237-Q240 WeakPolarHBondContact O-CB 3.5Å; L237-Q240 PolarHBondContact O-N 3.01Å; L237-Q240 VanDerWaalsContact O-N 3.12Å; L237-V241 HydrophobicContact CD1-CG2 4.27Å; L237-V241 HydrophobicContact CG-CG2 4.48Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.34Å; L237-V246 HydrophobicContact CD1-CG1 4.06Å
238	F	96.6	Very high	94.9	Very high	39 Å²	39	72.7 Å²	72.7	17%	0.171	39%	0.389	C	S	.	.	H	α-helix	trans	-55.7	-44.6	175.1	-179.2	-84.5	0	0	0	112.2	L231 E232 R233 T235 Q236 Q240 V241 Q242	L231-F238 HydrophobicContact CB-CD2 4.28Å; E232-F238 WeakPolarHBondContact O-CB 3.46Å; R233-F238 HydrophobicContact CG-CD2 4.27Å; R233-F238 HydrophobicContact CG-CE1 4.45Å; R233-F238 HydrophobicContact CG-CE2 3.74Å; R233-F238 HydrophobicContact CG-CZ 3.85Å; T235-F238 WeakPolarHBondContact OG1-CB 3.42Å; T235-F238 PolarHBondContact OG1-N 3.46Å; Q236-F238 VanDerWaalsContact C-N 3.33Å; Q236-F238 PolarHBondContact O-N 3.28Å; F238-Q240 PolarHBondContact O-N 2.89Å; F238-V241 PolarHBondContact O-N 2.63Å; F238-Q242 VanDerWaalsContact O-CB 3.29Å; F238-Q242 WeakPolarHBondContact O-CB 3.3Å; F238-Q242 PolarHBondContact O-N 3.24Å
239	K	96.4	Very high	94.9	Very high	130 Å²	130	68.6 Å²	68.6	57%	0.565	37%	0.372	S	S	*	.	H	α-helix	trans	-65	-38.3	177.4	-67	176.7	-176.5	-179.1	0	112.6	T235 Q236 L237 S243	T235-K239 WeakPolarHBondContact O-CG 3.2Å; T235-K239 PolarHBondContact O-N 2.92Å; Q236-K239 PolarHBondContact O-N 3.49Å; L237-K239 VanDerWaalsContact C-N 3.3Å; L237-K239 PolarHBondContact O-N 2.92Å; K239-S243 WeakPolarHBondContact O-CB 3.24Å; K239-S243 PolarHBondContact O-N 2.9Å; K239-S243 PolarHBondContact O-OG 2.85Å
240	Q	95.5	Very high	94.9	Very high	39 Å²	39	71.6 Å²	71.6	18%	0.182	39%	0.391	C	S	.	.	H	α-helix	trans	-66.6	-41.9	178	-71.6	172.6	-32.2	0	0	111.6	Q236 L237 F238 S243 G244 Q245 V246	Q236-Q240 HydrophobicContact CG-CG 4.47Å; Q236-Q240 WeakPolarHBondContact O-CG 3.32Å; Q236-Q240 PolarHBondContact O-N 3.49Å; L237-Q240 WeakPolarHBondContact O-CB 3.5Å; L237-Q240 PolarHBondContact O-N 3.01Å; L237-Q240 VanDerWaalsContact O-N 3.12Å; F238-Q240 PolarHBondContact O-N 2.89Å; Q240-S243 PolarHBondContact O-N 2.85Å; Q240-S243 PolarHBondContact O-OG 3.38Å; Q240-S243 VanDerWaalsContact O-OG 3.11Å; Q240-G244 PolarHBondContact O-N 3.31Å; Q240-Q245 HydrophobicContact CB-CB 4.35Å; Q240-Q245 WeakPolarHBondContact O-CB 3.43Å; Q240-Q245 PolarHBondContact O-N 3.39Å; Q240-V246 HydrophobicContact CB-CB 4.14Å; Q240-V246 HydrophobicContact CB-CG2 3.79Å; Q240-V246 PolarHBondContact O-N 3.41Å
241	V	95.2	Very high	94.9	Very high	37 Å²	37	76 Å²	76	22%	0.224	41%	0.406	C	S	.	.	H	α-helix	trans	-67.2	-46	175.5	177	0	0	0	0	111.1	L231 L237 F238 S243 G244 V246 M248	L231-V241 HydrophobicContact CD1-CB 4.22Å; L231-V241 HydrophobicContact CD1-CG1 3.9Å; L231-V241 HydrophobicContact CD1-CG2 4.22Å; L231-V241 HydrophobicContact CD2-CG2 4Å; L237-V241 HydrophobicContact CD1-CG2 4.27Å; L237-V241 HydrophobicContact CG-CG2 4.48Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.34Å; F238-V241 PolarHBondContact O-N 2.63Å; V241-S243 PolarHBondContact O-N 2.98Å; V241-G244 PolarHBondContact O-N 2.82Å; V241-V246 WeakPolarHBondContact CA-O 3.34Å; V241-V246 HydrophobicContact CG2-CB 4.13Å; V241-V246 HydrophobicContact CG2-CG1 4.12Å; V241-M248 HydrophobicContact CG1-CG 4.23Å; V241-M248 HydrophobicContact CG2-CG 3.73Å; V241-M248 HydrophobicContact CG2-SD 4.13Å
242	Q	96.3	Very high	95	Very high	149 Å²	149	79 Å²	79	70%	0.696	42%	0.418	S	S	*	.	H	α-helix	trans	-60	-32.2	178.5	-171.7	-178.8	30.4	0	0	112.8	F238 G244	F238-Q242 VanDerWaalsContact O-CB 3.29Å; F238-Q242 WeakPolarHBondContact O-CB 3.3Å; F238-Q242 PolarHBondContact O-N 3.24Å; Q242-G244 VanDerWaalsContact C-N 3.34Å
243	S	96.4	Very high	95.1	Very high	71 Å²	71	78.3 Å²	78.3	50%	0.497	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.6	177	56.2	0	0	0	0	114.2	K239 Q240 V241 Q245	K239-S243 WeakPolarHBondContact O-CB 3.24Å; K239-S243 PolarHBondContact O-N 2.9Å; K239-S243 PolarHBondContact O-OG 2.85Å; Q240-S243 PolarHBondContact O-N 2.85Å; Q240-S243 PolarHBondContact O-OG 3.38Å; Q240-S243 VanDerWaalsContact O-OG 3.11Å; V241-S243 PolarHBondContact O-N 2.98Å; S243-Q245 PolarHBondContact O-N 3.39Å; S243-Q245 WeakPolarHBondContact OG-CG 3.22Å
244	G	94.8	Very high	95.2	Very high	61 Å²	61	69.5 Å²	69.5	63%	0.629	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	10	-179.3	0	0	0	0	0	114.9	Q240 V241 Q242 V246	Q240-G244 PolarHBondContact O-N 3.31Å; V241-G244 PolarHBondContact O-N 2.82Å; Q242-G244 VanDerWaalsContact C-N 3.34Å; G244-V246 VanDerWaalsContact C-N 3.33Å
245	Q	94.3	Very high	95.3	Very high	142 Å²	142	69 Å²	69	66%	0.664	37%	0.374	S	S	*	.	S	Bend	trans	-73.9	-26.8	177.8	-65.1	178	3.5	0	0	112.6	Q240 S243	Q240-Q245 HydrophobicContact CB-CB 4.35Å; Q240-Q245 WeakPolarHBondContact O-CB 3.43Å; Q240-Q245 PolarHBondContact O-N 3.39Å; S243-Q245 PolarHBondContact O-N 3.39Å; S243-Q245 WeakPolarHBondContact OG-CG 3.22Å
246	V	93.9	Very high	95.4	Very high	24 Å²	24	73.7 Å²	73.7	15%	0.145	40%	0.395	C	S	.	.	S	Bend	trans	-134.2	134.3	-176.8	174.9	0	0	0	0	109.1	P202 L237 Q240 V241 G244	P202-V246 HydrophobicContact CB-CG1 3.55Å; P202-V246 HydrophobicContact CG-CG1 3.7Å; L237-V246 HydrophobicContact CD1-CG1 4.06Å; Q240-V246 HydrophobicContact CB-CB 4.14Å; Q240-V246 HydrophobicContact CB-CG2 3.79Å; Q240-V246 PolarHBondContact O-N 3.41Å; V241-V246 WeakPolarHBondContact CA-O 3.34Å; V241-V246 HydrophobicContact CG2-CB 4.13Å; V241-V246 HydrophobicContact CG2-CG1 4.12Å; G244-V246 VanDerWaalsContact C-N 3.33Å
247	T	93.6	Very high	95.5	Very high	94 Å²	94	68.6 Å²	68.6	58%	0.577	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-103.9	130.5	175.9	-55.2	0	0	0	0	110.1	P202 N203	P202-T247 WeakPolarHBondContact CA-O 3.22Å; N203-T247 PolarHBondContact N-O 3.42Å
248	M	95.3	Very high	95.5	Very high	36 Å²	36	70.1 Å²	70.1	18%	0.177	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-90.5	152	171.1	-64.5	-58.8	-70.3	0	0	110.4	G200 P202 L229 L231 V241	G200-M248 WeakPolarHBondContact O-CE 3.28Å; P202-M248 HydrophobicContact CG-SD 3.89Å; L229-M248 HydrophobicContact CD2-CE 4.03Å; L229-M248 HydrophobicContact CG-CE 4.18Å; L231-M248 HydrophobicContact CD1-CG 3.84Å; L231-M248 HydrophobicContact CD2-CE 4.17Å; L231-M248 HydrophobicContact CD2-CG 4.12Å; L231-M248 HydrophobicContact CD2-SD 4.06Å; L231-M248 HydrophobicContact CG-CE 4.36Å; L231-M248 HydrophobicContact CG-CG 4.19Å; V241-M248 HydrophobicContact CG1-CG 4.23Å; V241-M248 HydrophobicContact CG2-CG 3.73Å; V241-M248 HydrophobicContact CG2-SD 4.13Å
249	P	95.7	Very high	95.5	Very high	21 Å²	21	71.9 Å²	71.9	14%	0.136	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-56.2	151.4	165.9	-20.7	33.6	0	0	0	110.9	R201 Q204 I253 M257	R201-P249 VanDerWaalsContact O-CD 3.28Å; R201-P249 WeakPolarHBondContact O-CD 3.09Å; R201-P249 VanDerWaalsContact O-CG 3.3Å; R201-P249 WeakPolarHBondContact O-CG 3.14Å; Q204-P249 HydrophobicContact CB-CG 4.38Å; P249-I253 HydrophobicContact CB-CB 4.17Å; P249-I253 HydrophobicContact CB-CG2 3.9Å; P249-M257 HydrophobicContact CG-CE 4.35Å
250	T	95.4	Very high	95.5	Very high	71 Å²	71	67 Å²	67	44%	0.436	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-70.7	168.3	173.7	74.1	0	0	0	0	110.7	E252 I253 T254	T250-E252 VanDerWaalsContact C-N 3.25Å; T250-E252 WeakPolarHBondContact CB-OE2 3.05Å; T250-E252 PolarHBondContact O-N 3.15Å; T250-E252 PolarHBondContact OG1-OE2 2.97Å; T250-I253 PolarHBondContact O-N 3.39Å; T250-I253 PolarHBondContact OG1-N 3.25Å; T250-T254 WeakPolarHBondContact O-CB 3.41Å; T250-T254 PolarHBondContact O-N 2.74Å; T250-T254 PolarHBondContact O-OG1 3.47Å
251	E	93.6	Very high	95.5	Very high	168 Å²	168	65.1 Å²	65.1	79%	0.785	36%	0.359	S	S	*	.	H	α-helix	trans	-62	-36.8	176.7	-67.2	-178.2	-177	0	0	111.2	T254 A255	E251-T254 PolarHBondContact O-N 2.73Å; E251-A255 WeakPolarHBondContact O-CB 3.2Å; E251-A255 PolarHBondContact O-N 2.97Å
252	E	95.4	Very high	95.6	Very high	125 Å²	125	63.4 Å²	63.4	58%	0.584	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-49.6	177	-58.2	76.2	-166.3	0	0	111.4	T250 T254 A255 E256	T250-E252 VanDerWaalsContact C-N 3.25Å; T250-E252 WeakPolarHBondContact CB-OE2 3.05Å; T250-E252 PolarHBondContact O-N 3.15Å; T250-E252 PolarHBondContact OG1-OE2 2.97Å; E252-T254 VanDerWaalsContact C-N 3.28Å; E252-T254 PolarHBondContact O-N 3.33Å; E252-A255 PolarHBondContact O-N 3.17Å; E252-E256 WeakPolarHBondContact O-CG 3.47Å; E252-E256 PolarHBondContact O-N 3.42Å
253	I	96.3	Very high	95.6	Very high	56 Å²	56	59.1 Å²	59.1	29%	0.287	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-39.7	177.5	-65.6	173.5	0	0	0	110.4	P249 T250 E256 M257	P249-I253 HydrophobicContact CB-CB 4.17Å; P249-I253 HydrophobicContact CB-CG2 3.9Å; T250-I253 PolarHBondContact O-N 3.39Å; T250-I253 PolarHBondContact OG1-N 3.25Å; I253-E256 PolarHBondContact O-N 3.09Å; I253-M257 HydrophobicContact CG2-CE 3.6Å; I253-M257 HydrophobicContact CG2-SD 4.49Å; I253-M257 WeakPolarHBondContact O-CG 3.39Å; I253-M257 PolarHBondContact O-N 3.02Å
254	T	96	Very high	95.6	Very high	13 Å²	13	56.4 Å²	56.4	8%	0.08	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-38.5	179.2	-55.3	0	0	0	0	111.5	F199 Q228 T250 E251 E252 M257 Y258	F199-T254 HydrophobicContact CD2-CG2 4.08Å; F199-T254 HydrophobicContact CE2-CG2 3.57Å; F199-T254 WeakPolarHBondContact CE2-O 3.44Å; Q228-T254 HydrophobicContact CG-CG2 3.89Å; T250-T254 WeakPolarHBondContact O-CB 3.41Å; T250-T254 PolarHBondContact O-N 2.74Å; T250-T254 PolarHBondContact O-OG1 3.47Å; E251-T254 PolarHBondContact O-N 2.73Å; E252-T254 VanDerWaalsContact C-N 3.28Å; E252-T254 PolarHBondContact O-N 3.33Å; T254-M257 WeakPolarHBondContact O-CB 2.97Å; T254-M257 PolarHBondContact O-N 3.28Å; T254-Y258 PolarHBondContact O-N 3.33Å
255	A	94.9	Very high	95.7	Very high	54 Å²	54	53.5 Å²	53.5	45%	0.446	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-42.4	173.7	0	0	0	0	0	111.7	E251 E252 M257 Y258 Q259	E251-A255 WeakPolarHBondContact O-CB 3.2Å; E251-A255 PolarHBondContact O-N 2.97Å; E252-A255 PolarHBondContact O-N 3.17Å; A255-M257 PolarHBondContact O-N 3.13Å; A255-Y258 PolarHBondContact O-N 2.87Å; A255-Q259 WeakPolarHBondContact O-CG 3.45Å; A255-Q259 PolarHBondContact O-N 2.8Å
256	E	96.7	Very high	95.8	Very high	109 Å²	109	51.2 Å²	51.2	51%	0.509	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-43.1	173.1	-72.7	177.2	-174.9	0	0	112	T206 E252 I253 Y258 Q259 C260	T206-E256 HydrophobicContact CG2-CB 4.25Å; T206-E256 PolarHBondContact OG1-OE2 2.72Å; E252-E256 WeakPolarHBondContact O-CG 3.47Å; E252-E256 PolarHBondContact O-N 3.42Å; I253-E256 PolarHBondContact O-N 3.09Å; E256-Y258 VanDerWaalsContact C-N 3.33Å; E256-Y258 PolarHBondContact O-N 3.36Å; E256-Q259 PolarHBondContact O-N 3.29Å; E256-C260 VanDerWaalsContact O-CB 3.25Å; E256-C260 WeakPolarHBondContact O-CB 3.26Å; E256-C260 PolarHBondContact O-N 3.28Å
257	M	97.6	Very high	95.9	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-43.6	175.2	-73.5	175.4	-175.4	0	0	111.9	F199 Q204 T205 W209 P249 I253 T254 A255 C260 A261	F199-M257 HydrophobicContact CD2-CB 3.67Å; F199-M257 HydrophobicContact CD2-SD 4.26Å; F199-M257 HydrophobicContact CE2-CB 4.31Å; F199-M257 HydrophobicContact CG-CB 4.49Å; Q204-M257 VanDerWaalsContact C-CE 3.44Å; Q204-M257 HydrophobicContact CB-CE 3.8Å; Q204-M257 HydrophobicContact CG-CE 3.75Å; Q204-M257 HydrophobicContact CG-SD 4.43Å; Q204-M257 VanDerWaalsContact O-CE 3.25Å; Q204-M257 WeakPolarHBondContact O-CE 3.24Å; T205-M257 WeakPolarHBondContact O-CE 3.21Å; W209-M257 HydrophobicContact CB-CE 4.48Å; W209-M257 HydrophobicContact CB-CG 4.07Å; W209-M257 HydrophobicContact CB-SD 4.38Å; W209-M257 HydrophobicContact CG-CB 4.18Å; W209-M257 HydrophobicContact CG-CG 4Å; W209-M257 PolarHBondContact NE1-O 2.98Å; P249-M257 HydrophobicContact CG-CE 4.35Å; I253-M257 HydrophobicContact CG2-CE 3.6Å; I253-M257 HydrophobicContact CG2-SD 4.49Å; I253-M257 WeakPolarHBondContact O-CG 3.39Å; I253-M257 PolarHBondContact O-N 3.02Å; T254-M257 WeakPolarHBondContact O-CB 2.97Å; T254-M257 PolarHBondContact O-N 3.28Å; A255-M257 PolarHBondContact O-N 3.13Å; M257-C260 PolarHBondContact O-N 2.85Å; M257-A261 WeakPolarHBondContact O-CB 3.48Å; M257-A261 PolarHBondContact O-N 3.25Å
258	Y	96	Very high	96	Very high	34 Å²	34	57 Å²	57	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-44.3	178.2	-177.9	-116.5	0	0	0	112	F199 L226 T254 A255 E256 A261 R262 Q272 V275 A415	F199-Y258 HydrophobicContact CE1-CD2 4.29Å; F199-Y258 AromaticContact CZ-CD2 3.93Å; F199-Y258 HydrophobicContact CZ-CD2 3.93Å; F199-Y258 HydrophobicContact CZ-CG 4.33Å; L226-Y258 HydrophobicContact CD2-CD2 4.07Å; L226-Y258 HydrophobicContact CD2-CE2 4.21Å; T254-Y258 PolarHBondContact O-N 3.33Å; A255-Y258 PolarHBondContact O-N 2.87Å; E256-Y258 VanDerWaalsContact C-N 3.33Å; E256-Y258 PolarHBondContact O-N 3.36Å; Y258-A261 WeakPolarHBondContact O-CB 3.49Å; Y258-A261 PolarHBondContact O-N 2.85Å; Y258-R262 HydrophobicContact CE1-CG 4.4Å; Y258-R262 HydrophobicContact CE2-CG 4.32Å; Y258-R262 WeakPolarHBondContact O-CB 3.29Å; Y258-R262 PolarHBondContact O-N 3.24Å; Y258-Q272 PolarHBondContact OH-NE2 3.49Å; Y258-V275 PolarHBondContact OH-O 3.28Å; Y258-A415 HydrophobicContact CE1-CB 4.2Å
259	Q	95.4	Very high	96.1	Very high	75 Å²	75	57.1 Å²	57.1	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-42.4	176.4	-70.3	-64.6	-10.6	0	0	112.3	A255 E256 A261 R262 T263	A255-Q259 WeakPolarHBondContact O-CG 3.45Å; A255-Q259 PolarHBondContact O-N 2.8Å; E256-Q259 PolarHBondContact O-N 3.29Å; Q259-A261 VanDerWaalsContact C-N 3.31Å; Q259-A261 PolarHBondContact O-N 3.4Å; Q259-R262 PolarHBondContact O-N 3.06Å; Q259-T263 WeakPolarHBondContact O-CB 3.34Å; Q259-T263 PolarHBondContact O-N 3.33Å; Q259-T263 PolarHBondContact O-OG1 2.91Å
260	C	96.6	Very high	96.1	Very high	28 Å²	28	56.4 Å²	56.4	19%	0.189	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-45.7	172.8	177	0	0	0	0	110.9	T206 E256 M257 T263 T264	T206-C260 HydrophobicContact CG2-CB 4.36Å; E256-C260 VanDerWaalsContact O-CB 3.25Å; E256-C260 WeakPolarHBondContact O-CB 3.26Å; E256-C260 PolarHBondContact O-N 3.28Å; M257-C260 PolarHBondContact O-N 2.85Å; C260-T263 PolarHBondContact O-N 3.12Å; C260-T264 VanDerWaalsContact O-CB 3.3Å; C260-T264 WeakPolarHBondContact O-CB 3.37Å; C260-T264 PolarHBondContact O-N 3.15Å; C260-T264 PolarHBondContact O-OG1 2.97Å
261	A	96.9	Very high	96.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.6	-49.4	-179.7	0	0	0	0	0	112.2	W209 L213 L226 M257 Y258 Q259 T263 T264 L265	W209-A261 HydrophobicContact CZ2-CB 3.71Å; L213-A261 HydrophobicContact CD2-CB 3.89Å; L226-A261 HydrophobicContact CD1-CB 4.37Å; L226-A261 HydrophobicContact CD2-CB 3.54Å; M257-A261 WeakPolarHBondContact O-CB 3.48Å; M257-A261 PolarHBondContact O-N 3.25Å; Y258-A261 WeakPolarHBondContact O-CB 3.49Å; Y258-A261 PolarHBondContact O-N 2.85Å; Q259-A261 VanDerWaalsContact C-N 3.31Å; Q259-A261 PolarHBondContact O-N 3.4Å; A261-T263 PolarHBondContact O-N 2.83Å; A261-T264 PolarHBondContact O-N 3.31Å; A261-L265 VanDerWaalsContact O-CB 3.29Å; A261-L265 WeakPolarHBondContact O-CB 3.25Å; A261-L265 WeakPolarHBondContact O-CD1 2.96Å; A261-L265 VanDerWaalsContact O-CG 3.3Å; A261-L265 WeakPolarHBondContact O-CG 3.42Å; A261-L265 PolarHBondContact O-N 2.98Å
262	R	95.9	Very high	96.3	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-55.6	-49.4	177.5	-87.8	170.7	46.9	161.7	-13.8	112.7	Y258 Q259 Q266 F278 W411	Y258-R262 HydrophobicContact CE1-CG 4.4Å; Y258-R262 HydrophobicContact CE2-CG 4.32Å; Y258-R262 WeakPolarHBondContact O-CB 3.29Å; Y258-R262 PolarHBondContact O-N 3.24Å; Q259-R262 PolarHBondContact O-N 3.06Å; R262-Q266 WeakPolarHBondContact O-CB 3.43Å; R262-Q266 PolarHBondContact O-N 3.33Å; R262-F278 HydrophobicContact CG-CE1 3.96Å; R262-F278 HydrophobicContact CG-CZ 3.66Å; R262-W411 HydrophobicContact CB-CH2 4.15Å; R262-W411 HydrophobicContact CB-CZ2 3.6Å; R262-W411 HydrophobicContact CG-CZ2 4Å; R262-W411 VanDerWaalsContact NH1-CD1 3.31Å; R262-W411 PolarHBondContact NH1-O 3.38Å; R262-W411 VanDerWaalsContact NH2-CE2 3.29Å; R262-W411 PolarHBondContact NH2-O 2.71Å; R262-W411 VanDerWaalsContact NH2-O 3.13Å
263	T	95.9	Very high	96.4	Very high	58 Å²	58	45.7 Å²	45.7	36%	0.356	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-46.2	178.5	-56.5	0	0	0	0	111	Q259 C260 A261 Q266 Q267	Q259-T263 WeakPolarHBondContact O-CB 3.34Å; Q259-T263 PolarHBondContact O-N 3.33Å; Q259-T263 PolarHBondContact O-OG1 2.91Å; C260-T263 PolarHBondContact O-N 3.12Å; A261-T263 PolarHBondContact O-N 2.83Å; T263-Q266 PolarHBondContact O-N 2.9Å; T263-Q267 VanDerWaalsContact O-CG 3.26Å; T263-Q267 WeakPolarHBondContact O-CG 3.18Å; T263-Q267 PolarHBondContact O-N 3.34Å
264	T	97	Very high	96.3	Very high	14 Å²	14	43.2 Å²	43.2	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-45	-179	-54.9	0	0	0	0	111.4	L213 L217 C260 A261 Q267 H268	L213-T264 HydrophobicContact CD2-CG2 4Å; L213-T264 HydrophobicContact CG-CG2 4.34Å; L217-T264 HydrophobicContact CD1-CG2 3.85Å; C260-T264 VanDerWaalsContact O-CB 3.3Å; C260-T264 WeakPolarHBondContact O-CB 3.37Å; C260-T264 PolarHBondContact O-N 3.15Å; C260-T264 PolarHBondContact O-OG1 2.97Å; A261-T264 PolarHBondContact O-N 3.31Å; T264-Q267 PolarHBondContact O-N 3.02Å; T264-H268 PolarHBondContact O-N 3.48Å; T264-H268 VanDerWaalsContact O-N 3.14Å; T264-H268 PolarHBondContact O-ND1 3.06Å
265	L	97.2	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-45.5	177.9	-78.7	162.3	0	0	0	111.4	L217 V224 L226 A261 Q267 H268 G269 F270 F278	L217-L265 HydrophobicContact CD1-CD2 4.41Å; L217-L265 HydrophobicContact CD2-CD2 3.58Å; V224-L265 HydrophobicContact CB-CD2 4.22Å; V224-L265 HydrophobicContact CG1-CD2 4.29Å; V224-L265 HydrophobicContact CG2-CD2 4.13Å; L226-L265 HydrophobicContact CD2-CD1 4.32Å; A261-L265 VanDerWaalsContact O-CB 3.29Å; A261-L265 WeakPolarHBondContact O-CB 3.25Å; A261-L265 WeakPolarHBondContact O-CD1 2.96Å; A261-L265 VanDerWaalsContact O-CG 3.3Å; A261-L265 WeakPolarHBondContact O-CG 3.42Å; A261-L265 PolarHBondContact O-N 2.98Å; L265-Q267 VanDerWaalsContact C-N 3.35Å; L265-Q267 PolarHBondContact O-N 2.99Å; L265-H268 CarbonylContact O-C 3.52Å; L265-H268 PolarHBondContact O-N 2.71Å; L265-H268 VanDerWaalsContact O-N 3.08Å; L265-G269 PolarHBondContact O-N 3.04Å; L265-F270 HydrophobicContact CB-CB 4.14Å; L265-F270 HydrophobicContact CD2-CB 4.17Å; L265-F270 HydrophobicContact CD2-CD2 4Å; L265-F270 HydrophobicContact CD2-CG 4.04Å; L265-F270 WeakPolarHBondContact O-CB 3.22Å; L265-F270 PolarHBondContact O-N 2.93Å; L265-F278 HydrophobicContact CB-CD1 3.97Å; L265-F278 HydrophobicContact CB-CE1 4.29Å; L265-F278 HydrophobicContact CB-CG 4.49Å; L265-F278 HydrophobicContact CD1-CB 4.4Å; L265-F278 HydrophobicContact CD1-CD1 3.82Å; L265-F278 HydrophobicContact CD1-CD2 3.73Å; L265-F278 HydrophobicContact CD1-CE1 3.92Å; L265-F278 HydrophobicContact CD1-CE2 3.89Å; L265-F278 HydrophobicContact CD1-CG 3.73Å; L265-F278 HydrophobicContact CD1-CZ 3.98Å; L265-F278 HydrophobicContact CG-CD1 4.44Å
266	Q	96	Very high	96.1	Very high	95 Å²	95	42.7 Å²	42.7	44%	0.444	22%	0.221	S	C	.	.	H	α-helix	trans	-60.5	-43.2	176.4	-171.2	-178.2	35	0	0	112.1	R262 T263 H268 G269 F270 W411	R262-Q266 WeakPolarHBondContact O-CB 3.43Å; R262-Q266 PolarHBondContact O-N 3.33Å; T263-Q266 PolarHBondContact O-N 2.9Å; Q266-H268 PolarHBondContact O-N 3.09Å; Q266-G269 PolarHBondContact O-N 3.3Å; Q266-F270 WeakPolarHBondContact CA-O 2.95Å; Q266-W411 HydrophobicContact CB-CH2 4.5Å
267	Q	96.2	Very high	96.1	Very high	145 Å²	145	37.6 Å²	37.6	68%	0.678	20%	0.197	S	C	*	.	H	α-helix	trans	-62	-27.1	175.7	-73.2	171.2	-5.5	0	0	113	T263 T264 L265 G269	T263-Q267 VanDerWaalsContact O-CG 3.26Å; T263-Q267 WeakPolarHBondContact O-CG 3.18Å; T263-Q267 PolarHBondContact O-N 3.34Å; T264-Q267 PolarHBondContact O-N 3.02Å; L265-Q267 VanDerWaalsContact C-N 3.35Å; L265-Q267 PolarHBondContact O-N 2.99Å; Q267-G269 VanDerWaalsContact C-N 3.3Å
268	H	96.3	Very high	96.1	Very high	94 Å²	94	37.7 Å²	37.7	44%	0.435	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11.1	174.6	-69	75.9	0	0	0	113.1	L217 T264 L265 Q266 F270	L217-H268 HydrophobicContact CD1-CB 4.2Å; T264-H268 PolarHBondContact O-N 3.48Å; T264-H268 VanDerWaalsContact O-N 3.14Å; T264-H268 PolarHBondContact O-ND1 3.06Å; L265-H268 CarbonylContact O-C 3.52Å; L265-H268 PolarHBondContact O-N 2.71Å; L265-H268 VanDerWaalsContact O-N 3.08Å; Q266-H268 PolarHBondContact O-N 3.09Å; H268-F270 HydrophobicContact CB-CD2 4.07Å; H268-F270 HydrophobicContact CB-CE2 4.31Å
269	G	96.1	Very high	96.2	Very high	39 Å²	39	36.1 Å²	36.1	40%	0.402	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	2.7	174.1	0	0	0	0	0	115.2	L265 Q266 Q267	L265-G269 PolarHBondContact O-N 3.04Å; Q266-G269 PolarHBondContact O-N 3.3Å; Q267-G269 VanDerWaalsContact C-N 3.3Å
270	F	97.6	Very high	96.2	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.022	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-79	131.5	175	-67.7	-94.5	0	0	0	110.8	L217 C220 D221 V224 L265 Q266 H268 F278 K280	L217-F270 HydrophobicContact CD2-CD2 4.42Å; L217-F270 HydrophobicContact CD2-CE2 3.92Å; L217-F270 HydrophobicContact CD2-CZ 4.43Å; C220-F270 HydrophobicContact CB-CZ 4.33Å; D221-F270 WeakPolarHBondContact O-CZ 3.32Å; V224-F270 HydrophobicContact CG2-CD1 4.33Å; V224-F270 HydrophobicContact CG2-CE1 3.86Å; V224-F270 HydrophobicContact CG2-CZ 4.1Å; L265-F270 HydrophobicContact CB-CB 4.14Å; L265-F270 HydrophobicContact CD2-CB 4.17Å; L265-F270 HydrophobicContact CD2-CD2 4Å; L265-F270 HydrophobicContact CD2-CG 4.04Å; L265-F270 WeakPolarHBondContact O-CB 3.22Å; L265-F270 PolarHBondContact O-N 2.93Å; Q266-F270 WeakPolarHBondContact CA-O 2.95Å; H268-F270 HydrophobicContact CB-CD2 4.07Å; H268-F270 HydrophobicContact CB-CE2 4.31Å; F270-F278 HydrophobicContact CB-CB 4.01Å; F270-K280 HydrophobicContact CD1-CG 4.43Å; F270-K280 HydrophobicContact CE1-CD 4.25Å; F270-K280 HydrophobicContact CE1-CG 4.3Å; F270-K280 HydrophobicContact CE2-CD 4.39Å; F270-K280 HydrophobicContact CZ-CD 4.17Å
271	Q	96.5	Very high	96	Very high	108 Å²	108	39.6 Å²	39.6	51%	0.505	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.4	173.6	-58.9	-55.7	-46.3	0	0	109.7	Y273 F278 A279	Q271-Y273 PolarHBondContact O-N 2.97Å; Q271-F278 CarbonylContact O-C 3.46Å; Q271-F278 VanDerWaalsContact O-CA 3.24Å; Q271-F278 WeakPolarHBondContact O-CA 3.1Å; Q271-A279 PolarHBondContact N-O 2.7Å; Q271-A279 PolarHBondContact O-N 3.22Å
272	Q	96.8	Very high	95.7	Very high	16 Å²	16	46.4 Å²	46.4	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121.1	168.1	-166.7	173.5	5.4	0	0	108.6	Y258 E274 V275 F278 T364	Y258-Q272 PolarHBondContact OH-NE2 3.49Å; Q272-E274 WeakPolarHBondContact CG-O 3.41Å; Q272-E274 PolarHBondContact NE2-O 3.27Å; Q272-V275 PolarHBondContact NE2-O 3.29Å; Q272-F278 HydrophobicContact CB-CD1 3.66Å; Q272-F278 HydrophobicContact CB-CE1 3.46Å; Q272-F278 VanDerWaalsContact CB-CE1 3.46Å; Q272-F278 HydrophobicContact CB-CG 4.43Å; Q272-F278 HydrophobicContact CB-CZ 4.06Å; Q272-F278 HydrophobicContact CG-CD1 4.14Å; Q272-F278 HydrophobicContact CG-CE1 3.75Å; Q272-F278 HydrophobicContact CG-CE2 4.28Å; Q272-F278 HydrophobicContact CG-CZ 3.8Å; Q272-T364 HydrophobicContact CB-CG2 4.09Å; Q272-T364 HydrophobicContact CG-CG2 3.99Å; Q272-T364 WeakPolarHBondContact O-CG2 2.95Å; Q272-T364 PolarHBondContact O-OG1 3.1Å
273	Y	96.1	Very high	95.6	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.063	25%	0.251	C	S	.	.			trans	-106.3	-22.9	177.4	71.6	-91.2	0	0	0	112.1	H223 Q271 N277 A279 E284 S285 L289 M363 T364	H223-Y273 AromaticContact CD2-CE1 3.94Å; H223-Y273 AromaticContact NE2-CE1 3.5Å; H223-Y273 AromaticContact NE2-CZ 3.67Å; H223-Y273 PolarHBondContact NE2-OH 2.75Å; Q271-Y273 PolarHBondContact O-N 2.97Å; Y273-N277 HydrophobicContact CD1-CB 4.26Å; Y273-N277 WeakPolarHBondContact CD1-O 3.25Å; Y273-N277 HydrophobicContact CE1-CB 3.36Å; Y273-N277 HydrophobicContact CE2-CB 4.37Å; Y273-N277 VanDerWaalsContact CZ-CB 3.43Å; Y273-N277 PolarHBondContact N-O 3.04Å; Y273-N277 VanDerWaalsContact OH-CB 3.29Å; Y273-N277 WeakPolarHBondContact OH-CB 3.45Å; Y273-A279 HydrophobicContact CD1-CB 3.95Å; Y273-A279 HydrophobicContact CE1-CB 4.05Å; Y273-E284 HydrophobicContact CD1-CB 4.18Å; Y273-E284 HydrophobicContact CD1-CG 3.65Å; Y273-E284 HydrophobicContact CD2-CB 4.1Å; Y273-E284 HydrophobicContact CD2-CG 3.93Å; Y273-E284 HydrophobicContact CE1-CB 4.13Å; Y273-E284 HydrophobicContact CE1-CG 4.1Å; Y273-E284 HydrophobicContact CE2-CB 4.04Å; Y273-E284 HydrophobicContact CE2-CG 4.34Å; Y273-E284 HydrophobicContact CG-CB 4.16Å; Y273-E284 HydrophobicContact CG-CG 3.55Å; Y273-S285 VanDerWaalsContact OH-CB 3.31Å; Y273-S285 WeakPolarHBondContact OH-CB 3.36Å; Y273-S285 PolarHBondContact OH-N 3.27Å; Y273-L289 HydrophobicContact CD2-CD2 3.79Å; Y273-L289 HydrophobicContact CD2-CG 4.43Å; Y273-L289 HydrophobicContact CE2-CD2 4.02Å; Y273-L289 HydrophobicContact CE2-CG 4.26Å; Y273-M363 WeakPolarHBondContact O-CA 3.35Å; Y273-T364 WeakPolarHBondContact CA-OG1 3.35Å; Y273-T364 PolarHBondContact O-N 2.8Å; Y273-T364 PolarHBondContact O-OG1 2.87Å
274	E	94.9	Very high	95.6	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.014	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-152.3	-179.1	173	61.7	81.5	-113.3	0	0	111.8	Q272 S276 N277 W292 R362 M363	Q272-E274 WeakPolarHBondContact CG-O 3.41Å; Q272-E274 PolarHBondContact NE2-O 3.27Å; E274-S276 PolarHBondContact O-N 2.94Å; E274-S276 VanDerWaalsContact OE1-C 3.29Å; E274-S276 WeakPolarHBondContact OE1-CA 3.44Å; E274-S276 PolarHBondContact OE1-N 3.41Å; E274-N277 VanDerWaalsContact CD-ND2 3.26Å; E274-N277 HydrophobicContact CG-CB 4.2Å; E274-N277 VanDerWaalsContact OE1-CA 3.31Å; E274-N277 WeakPolarHBondContact OE1-CA 3.3Å; E274-N277 WeakPolarHBondContact OE1-CB 3.44Å; E274-N277 PolarHBondContact OE1-N 2.94Å; E274-N277 PolarHBondContact OE1-ND2 3.04Å; E274-W292 VanDerWaalsContact OE2-CE2 3.26Å; E274-W292 VanDerWaalsContact OE2-CZ2 3.27Å; E274-W292 WeakPolarHBondContact OE2-CZ2 3.25Å; E274-W292 PolarHBondContact OE2-NE1 3.41Å; E274-R362 CarbonylContact C-O 3.58Å; E274-R362 WeakPolarHBondContact CA-O 3.38Å; E274-R362 WeakPolarHBondContact CB-O 3.07Å; E274-M363 HydrophobicContact CB-CG 4.41Å
275	V	93.2	Very high	95.4	Very high	24 Å²	24	46.6 Å²	46.6	15%	0.145	24%	0.243	C	C	.	.	S	Bend	trans	-50.3	-35	-168	-75.5	0	0	0	0	115.7	Y258 Q272 W292 R362 L414 L417	Y258-V275 PolarHBondContact OH-O 3.28Å; Q272-V275 PolarHBondContact NE2-O 3.29Å; V275-W292 HydrophobicContact CG2-CZ2 4.35Å; V275-R362 HydrophobicContact CG1-CB 3.78Å; V275-R362 HydrophobicContact CG1-CG 3.94Å; V275-R362 WeakPolarHBondContact CG1-O 3.48Å; V275-R362 HydrophobicContact CG2-CB 4.25Å; V275-R362 PolarHBondContact N-O 2.73Å; V275-L414 HydrophobicContact CG1-CD1 3.75Å; V275-L414 HydrophobicContact CG1-CG 4.26Å; V275-L417 HydrophobicContact CG1-CD2 4.28Å
276	S	93.5	Very high	95.1	Very high	32 Å²	32	51.6 Å²	51.6	22%	0.224	26%	0.261	C	S	.	.	S	Bend	trans	-119.8	-14.3	-171.4	-61	0	0	0	0	114.3	L226 E274	L226-S276 WeakPolarHBondContact CA-O 3.38Å; L226-S276 WeakPolarHBondContact CB-O 3.39Å; L226-S276 PolarHBondContact N-O 3.28Å; E274-S276 PolarHBondContact O-N 2.94Å; E274-S276 VanDerWaalsContact OE1-C 3.29Å; E274-S276 WeakPolarHBondContact OE1-CA 3.44Å; E274-S276 PolarHBondContact OE1-N 3.41Å
277	N	96.6	Very high	94.7	Very high	3 Å²	3	47 Å²	47	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.8	-163.2	-63.5	-71.3	0	0	0	111.4	H223 V224 S225 Y273 E274 N288	H223-N277 PolarHBondContact CE1-OD1 3.44Å; V224-N277 WeakPolarHBondContact O-CA 3.32Å; S225-N277 VanDerWaalsContact CA-OD1 3.22Å; S225-N277 WeakPolarHBondContact CA-OD1 3.49Å; S225-N277 WeakPolarHBondContact CB-OD1 3.45Å; S225-N277 PolarHBondContact OG-OD1 2.74Å; S225-N277 VanDerWaalsContact OG-OD1 3.09Å; Y273-N277 HydrophobicContact CD1-CB 4.26Å; Y273-N277 WeakPolarHBondContact CD1-O 3.25Å; Y273-N277 HydrophobicContact CE1-CB 3.36Å; Y273-N277 HydrophobicContact CE2-CB 4.37Å; Y273-N277 VanDerWaalsContact CZ-CB 3.43Å; Y273-N277 PolarHBondContact N-O 3.04Å; Y273-N277 VanDerWaalsContact OH-CB 3.29Å; Y273-N277 WeakPolarHBondContact OH-CB 3.45Å; E274-N277 VanDerWaalsContact CD-ND2 3.26Å; E274-N277 HydrophobicContact CG-CB 4.2Å; E274-N277 VanDerWaalsContact OE1-CA 3.31Å; E274-N277 WeakPolarHBondContact OE1-CA 3.3Å; E274-N277 WeakPolarHBondContact OE1-CB 3.44Å; E274-N277 PolarHBondContact OE1-N 2.94Å; E274-N277 PolarHBondContact OE1-ND2 3.04Å; N277-N288 PolarHBondContact ND2-ND2 3.13Å
278	F	97.9	Very high	94.4	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.5	-176.4	-60.9	-108.7	0	0	0	108.7	H223 V224 L226 R262 L265 F270 Q271 Q272	H223-F278 WeakPolarHBondContact CA-O 3.43Å; V224-F278 PolarHBondContact N-O 2.93Å; V224-F278 PolarHBondContact O-N 2.8Å; L226-F278 HydrophobicContact CB-CD2 4.31Å; L226-F278 HydrophobicContact CB-CE2 4.02Å; L226-F278 HydrophobicContact CD2-CE2 3.88Å; L226-F278 HydrophobicContact CD2-CZ 4.33Å; R262-F278 HydrophobicContact CG-CE1 3.96Å; R262-F278 HydrophobicContact CG-CZ 3.66Å; L265-F278 HydrophobicContact CB-CD1 3.97Å; L265-F278 HydrophobicContact CB-CE1 4.29Å; L265-F278 HydrophobicContact CB-CG 4.49Å; L265-F278 HydrophobicContact CD1-CB 4.4Å; L265-F278 HydrophobicContact CD1-CD1 3.82Å; L265-F278 HydrophobicContact CD1-CD2 3.73Å; L265-F278 HydrophobicContact CD1-CE1 3.92Å; L265-F278 HydrophobicContact CD1-CE2 3.89Å; L265-F278 HydrophobicContact CD1-CG 3.73Å; L265-F278 HydrophobicContact CD1-CZ 3.98Å; L265-F278 HydrophobicContact CG-CD1 4.44Å; F270-F278 HydrophobicContact CB-CB 4.01Å; Q271-F278 CarbonylContact O-C 3.46Å; Q271-F278 VanDerWaalsContact O-CA 3.24Å; Q271-F278 WeakPolarHBondContact O-CA 3.1Å; Q272-F278 HydrophobicContact CB-CD1 3.66Å; Q272-F278 HydrophobicContact CB-CE1 3.46Å; Q272-F278 VanDerWaalsContact CB-CE1 3.46Å; Q272-F278 HydrophobicContact CB-CG 4.43Å; Q272-F278 HydrophobicContact CB-CZ 4.06Å; Q272-F278 HydrophobicContact CG-CD1 4.14Å; Q272-F278 HydrophobicContact CG-CE1 3.75Å; Q272-F278 HydrophobicContact CG-CE2 4.28Å; Q272-F278 HydrophobicContact CG-CZ 3.8Å
279	A	97.4	Very high	94.2	Very high	2 Å²	2	39 Å²	39	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.4	-178.7	0	0	0	0	0	111.2	D222 Q271 Y273 E284	D222-A279 CarbonylContact O-C 3.59Å; D222-A279 VanDerWaalsContact O-CA 3.28Å; D222-A279 WeakPolarHBondContact O-CA 3.25Å; Q271-A279 PolarHBondContact N-O 2.7Å; Q271-A279 PolarHBondContact O-N 3.22Å; Y273-A279 HydrophobicContact CD1-CB 3.95Å; Y273-A279 HydrophobicContact CE1-CB 4.05Å; A279-E284 HydrophobicContact CB-CG 3.97Å
280	K	95.3	Very high	93.9	Very high	60 Å²	60	37.3 Å²	37.3	26%	0.261	19%	0.187	S	C	.	.	S	Bend	trans	-126.4	169.2	162.9	66	-173	-171.6	-159.2	0	108.6	D221 D222 F270 N282 S283	D221-K280 VanDerWaalsContact O-CE 3.25Å; D221-K280 WeakPolarHBondContact O-CE 3.44Å; D221-K280 PolarHBondContact O-NZ 2.9Å; D221-K280 VanDerWaalsContact O-NZ 3.08Å; D222-K280 HydrophobicContact CB-CG 3.86Å; D222-K280 PolarHBondContact O-N 3.32Å; D222-K280 WeakPolarHBondContact OD1-CE 3.43Å; D222-K280 IonicContact OD1-NZ 3.56Å; F270-K280 HydrophobicContact CD1-CG 4.43Å; F270-K280 HydrophobicContact CE1-CD 4.25Å; F270-K280 HydrophobicContact CE1-CG 4.3Å; F270-K280 HydrophobicContact CE2-CD 4.39Å; F270-K280 HydrophobicContact CZ-CD 4.17Å; K280-N282 PolarHBondContact O-N 2.87Å; K280-S283 WeakPolarHBondContact O-CB 3.35Å; K280-S283 PolarHBondContact O-N 3.13Å
281	N	93.3	Very high	93.5	Very high	116 Å²	116	39.2 Å²	39.2	62%	0.62	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.8	175.4	-55.7	-29.6	0	0	0	115.1	D222 S283	D222-N281 WeakPolarHBondContact OD2-CB 3.21Å; D222-N281 PolarHBondContact OD2-ND2 2.82Å; N281-S283 VanDerWaalsContact C-N 3.29Å; N281-S283 PolarHBondContact O-N 3.23Å
282	N	90.1	Very high	93.3	Very high	142 Å²	142	36.1 Å²	36.1	76%	0.759	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	32.1	-176	-45.4	-60.8	0	0	0	114.4	K280 E284	K280-N282 PolarHBondContact O-N 2.87Å; N282-E284 WeakPolarHBondContact CA-OE2 3.43Å; N282-E284 PolarHBondContact O-N 2.91Å
283	S	94.6	Very high	93.1	Very high	21 Å²	21	36.5 Å²	36.5	15%	0.147	18%	0.181	C	C	.	.			trans	-86.9	24.7	176.1	-66.5	0	0	0	0	113.6	G191 D222 H223 K280 N281	G191-S283 PolarHBondContact O-OG 3.5Å; D222-S283 VanDerWaalsContact CB-OG 3.27Å; D222-S283 WeakPolarHBondContact CB-OG 3.26Å; H223-S283 PolarHBondContact CD2-O 3.47Å; K280-S283 WeakPolarHBondContact O-CB 3.35Å; K280-S283 PolarHBondContact O-N 3.13Å; N281-S283 VanDerWaalsContact C-N 3.29Å; N281-S283 PolarHBondContact O-N 3.23Å
284	E	94.9	Very high	92.9	Very high	57 Å²	57	35.8 Å²	35.8	27%	0.266	18%	0.179	S	C	.	.			trans	-57.9	139.8	174.4	-60.1	86.8	171.8	0	0	111	Y273 A279 N282 R286 L289	Y273-E284 HydrophobicContact CD1-CB 4.18Å; Y273-E284 HydrophobicContact CD1-CG 3.65Å; Y273-E284 HydrophobicContact CD2-CB 4.1Å; Y273-E284 HydrophobicContact CD2-CG 3.93Å; Y273-E284 HydrophobicContact CE1-CB 4.13Å; Y273-E284 HydrophobicContact CE1-CG 4.1Å; Y273-E284 HydrophobicContact CE2-CB 4.04Å; Y273-E284 HydrophobicContact CE2-CG 4.34Å; Y273-E284 HydrophobicContact CG-CB 4.16Å; Y273-E284 HydrophobicContact CG-CG 3.55Å; A279-E284 HydrophobicContact CB-CG 3.97Å; N282-E284 WeakPolarHBondContact CA-OE2 3.43Å; N282-E284 PolarHBondContact O-N 2.91Å; E284-R286 PolarHBondContact O-N 3.05Å; E284-L289 HydrophobicContact CB-CD1 3.82Å; E284-L289 HydrophobicContact CB-CG 4.46Å
285	S	92.9	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.			trans	-62.4	107.4	174.3	177.8	0	0	0	0	110.4	Y273 H287 N288 L289	Y273-S285 VanDerWaalsContact OH-CB 3.31Å; Y273-S285 WeakPolarHBondContact OH-CB 3.36Å; Y273-S285 PolarHBondContact OH-N 3.27Å; S285-H287 PolarHBondContact O-N 2.95Å; S285-N288 PolarHBondContact O-N 3.39Å; S285-N288 VanDerWaalsContact O-N 3.11Å; S285-N288 VanDerWaalsContact OG-CG 3.26Å; S285-N288 PolarHBondContact OG-N 2.81Å; S285-N288 PolarHBondContact OG-OD1 3.49Å; S285-N288 VanDerWaalsContact OG-OD1 3.11Å; S285-L289 WeakPolarHBondContact O-CG 3.3Å; S285-L289 PolarHBondContact O-N 2.9Å
286	R	91	Very high	92.6	Very high	104 Å²	104	39 Å²	39	39%	0.392	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-28.7	176.8	-65.9	-173.1	175.9	123.7	-16	111.3	N93 E126 E128 E284 S290	N93-R286 HydrophobicContact CB-CB 4.29Å; N93-R286 PolarHBondContact ND2-O 3.22Å; N93-R286 VanDerWaalsContact ND2-O 3.1Å; E126-R286 PolarHBondContact O-NH1 3.27Å; E126-R286 IonicContact OE2-NH2 3.91Å; E126-R286 PolarHBondContact OE2-NH2 3.25Å; E128-R286 HydrophobicContact CB-CB 4.23Å; E128-R286 HydrophobicContact CB-CG 4.46Å; E128-R286 PolarHBondContact OE1-N 3.35Å; E128-R286 WeakPolarHBondContact OE2-CB 3.31Å; E128-R286 WeakPolarHBondContact OE2-CG 3.13Å; E128-R286 PolarHBondContact OE2-N 3.11Å; E284-R286 PolarHBondContact O-N 3.05Å; R286-S290 PolarHBondContact O-N 2.88Å; R286-S290 VanDerWaalsContact O-N 3.15Å
287	H	87.3	Confident	92.6	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-54.2	171	-175.9	67.9	0	0	0	113	F95 E128 S285 L289 S290 Y291	F95-H287 HydrophobicContact CB-CB 3.86Å; F95-H287 WeakPolarHBondContact CB-CE1 3.46Å; F95-H287 WeakPolarHBondContact CB-ND1 3.48Å; F95-H287 HydrophobicContact CD1-CB 4.32Å; F95-H287 AromaticContact CD1-CD2 2.95Å; F95-H287 WeakPolarHBondContact CD1-CD2 3.4Å; F95-H287 AromaticContact CD1-CE1 3.62Å; F95-H287 AromaticContact CD1-CG 3.55Å; F95-H287 AromaticContact CD1-ND1 3.98Å; F95-H287 AromaticContact CD1-NE2 2.96Å; F95-H287 WeakPolarHBondContact CD1-NE2 3.38Å; F95-H287 HydrophobicContact CD2-CB 3.4Å; F95-H287 AromaticContact CD2-CD2 3.67Å; F95-H287 AromaticContact CD2-CG 3.52Å; F95-H287 AromaticContact CE1-CD2 3.25Å; F95-H287 WeakPolarHBondContact CE1-CD2 3.28Å; F95-H287 AromaticContact CE1-NE2 3.6Å; F95-H287 HydrophobicContact CE2-CB 3.99Å; F95-H287 HydrophobicContact CG-CB 3.67Å; F95-H287 AromaticContact CG-CD2 3.18Å; F95-H287 WeakPolarHBondContact CG-CD2 3.41Å; F95-H287 AromaticContact CG-CE1 3.65Å; F95-H287 AromaticContact CG-CG 3.22Å; F95-H287 AromaticContact CG-ND1 3.59Å; F95-H287 AromaticContact CG-NE2 3.43Å; F95-H287 WeakPolarHBondContact CG-NE2 3.48Å; F95-H287 AromaticContact CZ-CD2 3.89Å; E128-H287 PolarHBondContact OE1-N 3.26Å; S285-H287 PolarHBondContact O-N 2.95Å; H287-L289 VanDerWaalsContact C-N 3.31Å; H287-L289 PolarHBondContact O-N 3.06Å; H287-S290 WeakPolarHBondContact O-CB 3.46Å; H287-S290 PolarHBondContact O-N 2.99Å; H287-S290 VanDerWaalsContact O-N 3.07Å; H287-Y291 AromaticContact CD2-CE2 3.35Å; H287-Y291 WeakPolarHBondContact CD2-CE2 3.48Å; H287-Y291 AromaticContact CD2-CZ 3.97Å; H287-Y291 AromaticContact CE1-CE2 3.41Å; H287-Y291 VanDerWaalsContact CE1-CE2 3.41Å; H287-Y291 WeakPolarHBondContact CE1-CE2 3.41Å; H287-Y291 AromaticContact CE1-CZ 3.16Å; H287-Y291 PolarHBondContact CE1-OH 3.35Å; H287-Y291 AromaticContact ND1-CZ 3.96Å; H287-Y291 AromaticContact NE2-CE2 2.95Å; H287-Y291 WeakPolarHBondContact NE2-CE2 3.39Å; H287-Y291 AromaticContact NE2-CZ 3.15Å; H287-Y291 PolarHBondContact NE2-OH 2.97Å
288	N	90.4	Very high	92.5	Very high	18 Å²	18	38.9 Å²	38.9	10%	0.096	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-43.8	-177.6	-62.1	4.2	0	0	0	110.1	N277 S285 S290 Y291 W292	N277-N288 PolarHBondContact ND2-ND2 3.13Å; S285-N288 PolarHBondContact O-N 3.39Å; S285-N288 VanDerWaalsContact O-N 3.11Å; S285-N288 VanDerWaalsContact OG-CG 3.26Å; S285-N288 PolarHBondContact OG-N 2.81Å; S285-N288 PolarHBondContact OG-OD1 3.49Å; S285-N288 VanDerWaalsContact OG-OD1 3.11Å; N288-S290 PolarHBondContact O-N 2.83Å; N288-Y291 PolarHBondContact O-N 2.61Å; N288-W292 VanDerWaalsContact O-CG 3.26Å; N288-W292 PolarHBondContact O-N 3.29Å
289	L	92	Very high	92.4	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.272	18%	0.183	S	C	.	.	H	α-helix	trans	-58.7	-32.4	176.5	-69.2	178.3	0	0	0	112.9	Y273 E284 S285 H287 W292 T293 M363	Y273-L289 HydrophobicContact CD2-CD2 3.79Å; Y273-L289 HydrophobicContact CD2-CG 4.43Å; Y273-L289 HydrophobicContact CE2-CD2 4.02Å; Y273-L289 HydrophobicContact CE2-CG 4.26Å; E284-L289 HydrophobicContact CB-CD1 3.82Å; E284-L289 HydrophobicContact CB-CG 4.46Å; S285-L289 WeakPolarHBondContact O-CG 3.3Å; S285-L289 PolarHBondContact O-N 2.9Å; H287-L289 VanDerWaalsContact C-N 3.31Å; H287-L289 PolarHBondContact O-N 3.06Å; L289-W292 PolarHBondContact O-N 3.17Å; L289-T293 WeakPolarHBondContact O-CB 3.29Å; L289-T293 WeakPolarHBondContact O-CG2 3.36Å; L289-T293 PolarHBondContact O-N 2.69Å; L289-T293 PolarHBondContact O-OG1 3.04Å; L289-M363 HydrophobicContact CD2-SD 4.19Å
290	S	89.9	Confident	92.3	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-46.6	177.5	-161.7	0	0	0	0	111.7	S41 R286 H287 N288 T293 G294 R295	S41-S290 WeakPolarHBondContact OG-CB 3.03Å; S41-S290 PolarHBondContact OG-OG 2.75Å; R286-S290 PolarHBondContact O-N 2.88Å; R286-S290 VanDerWaalsContact O-N 3.15Å; H287-S290 WeakPolarHBondContact O-CB 3.46Å; H287-S290 PolarHBondContact O-N 2.99Å; H287-S290 VanDerWaalsContact O-N 3.07Å; N288-S290 PolarHBondContact O-N 2.83Å; S290-T293 PolarHBondContact O-OG1 2.83Å; S290-G294 PolarHBondContact O-N 3.46Å; S290-R295 WeakPolarHBondContact O-CB 3.23Å; S290-R295 PolarHBondContact O-N 2.95Å; S290-R295 WeakPolarHBondContact OG-CB 3.31Å
291	Y	88.1	Confident	92.4	Very high	44 Å²	44	35.9 Å²	35.9	17%	0.173	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-45.4	176.4	-54.3	-51.5	0	0	0	112.4	H287 N288 T293 G294 Y297	H287-Y291 AromaticContact CD2-CE2 3.35Å; H287-Y291 WeakPolarHBondContact CD2-CE2 3.48Å; H287-Y291 AromaticContact CD2-CZ 3.97Å; H287-Y291 AromaticContact CE1-CE2 3.41Å; H287-Y291 VanDerWaalsContact CE1-CE2 3.41Å; H287-Y291 WeakPolarHBondContact CE1-CE2 3.41Å; H287-Y291 AromaticContact CE1-CZ 3.16Å; H287-Y291 PolarHBondContact CE1-OH 3.35Å; H287-Y291 AromaticContact ND1-CZ 3.96Å; H287-Y291 AromaticContact NE2-CE2 2.95Å; H287-Y291 WeakPolarHBondContact NE2-CE2 3.39Å; H287-Y291 AromaticContact NE2-CZ 3.15Å; H287-Y291 PolarHBondContact NE2-OH 2.97Å; N288-Y291 PolarHBondContact O-N 2.61Å; Y291-T293 PolarHBondContact O-N 3.37Å; Y291-G294 PolarHBondContact O-N 3.13Å; Y291-Y297 AromaticContact CD1-CD1 3.43Å; Y291-Y297 HydrophobicContact CD1-CD1 3.43Å; Y291-Y297 VanDerWaalsContact CD1-CD1 3.43Å; Y291-Y297 HydrophobicContact CD1-CD2 4.22Å; Y291-Y297 AromaticContact CD1-CE1 3.6Å; Y291-Y297 HydrophobicContact CD1-CE1 3.6Å; Y291-Y297 HydrophobicContact CD1-CE2 4.36Å; Y291-Y297 AromaticContact CD1-CG 3.75Å; Y291-Y297 HydrophobicContact CD1-CG 3.75Å; Y291-Y297 AromaticContact CE1-CD1 3.56Å; Y291-Y297 HydrophobicContact CE1-CD1 3.56Å; Y291-Y297 AromaticContact CE1-CD2 3.51Å; Y291-Y297 HydrophobicContact CE1-CD2 3.51Å; Y291-Y297 AromaticContact CE1-CE1 3.89Å; Y291-Y297 HydrophobicContact CE1-CE1 3.89Å; Y291-Y297 AromaticContact CE1-CE2 3.83Å; Y291-Y297 HydrophobicContact CE1-CE2 3.83Å; Y291-Y297 AromaticContact CE1-CG 3.33Å; Y291-Y297 HydrophobicContact CE1-CG 3.33Å
292	W	93.2	Very high	92.5	Very high	43 Å²	43	30.3 Å²	30.3	16%	0.163	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-27.4	-178	-59.7	143.5	0	0	0	113	E274 V275 N288 L289 G294 M359 G360 R362 M363	E274-W292 VanDerWaalsContact OE2-CE2 3.26Å; E274-W292 VanDerWaalsContact OE2-CZ2 3.27Å; E274-W292 WeakPolarHBondContact OE2-CZ2 3.25Å; E274-W292 PolarHBondContact OE2-NE1 3.41Å; V275-W292 HydrophobicContact CG2-CZ2 4.35Å; N288-W292 VanDerWaalsContact O-CG 3.26Å; N288-W292 PolarHBondContact O-N 3.29Å; L289-W292 PolarHBondContact O-N 3.17Å; W292-G294 VanDerWaalsContact C-N 3.34Å; W292-M359 HydrophobicContact CE3-CB 4.1Å; W292-M359 HydrophobicContact CE3-SD 3.78Å; W292-M359 HydrophobicContact CZ3-SD 3.52Å; W292-M359 VanDerWaalsContact CZ3-SD 3.52Å; W292-M359 CarbonylContact O-C 3.59Å; W292-G360 VanDerWaalsContact O-CA 3.25Å; W292-G360 WeakPolarHBondContact O-CA 3.37Å; W292-G360 PolarHBondContact O-N 2.98Å; W292-R362 HydrophobicContact CD2-CB 4.34Å; W292-R362 HydrophobicContact CE3-CB 4.06Å; W292-R362 HydrophobicContact CH2-CB 4.45Å; W292-R362 VanDerWaalsContact CH2-CD 3.46Å; W292-R362 HydrophobicContact CZ3-CB 4.15Å; W292-R362 HydrophobicContact CZ3-CG 4.24Å; W292-M363 HydrophobicContact CB-CE 4.27Å; W292-M363 HydrophobicContact CB-CG 3.6Å; W292-M363 HydrophobicContact CB-SD 3.6Å; W292-M363 HydrophobicContact CG-CG 4.14Å
293	T	92.2	Very high	92.7	Very high	24 Å²	24	24 Å²	24	15%	0.147	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	15.5	175.3	59	0	0	0	0	113.3	L289 S290 Y291 R295 M363 H371	L289-T293 WeakPolarHBondContact O-CB 3.29Å; L289-T293 WeakPolarHBondContact O-CG2 3.36Å; L289-T293 PolarHBondContact O-N 2.69Å; L289-T293 PolarHBondContact O-OG1 3.04Å; S290-T293 PolarHBondContact O-OG1 2.83Å; Y291-T293 PolarHBondContact O-N 3.37Å; T293-R295 PolarHBondContact O-N 3.31Å; T293-R295 VanDerWaalsContact O-N 3.09Å; T293-R295 WeakPolarHBondContact OG1-CG 3.37Å; T293-R295 PolarHBondContact OG1-NE 2.98Å; T293-M363 HydrophobicContact CG2-CE 3.74Å; T293-M363 HydrophobicContact CG2-SD 3.94Å; T293-H371 PolarHBondContact O-CE1 3.04Å; T293-H371 PolarHBondContact O-NE2 3.37Å; T293-H371 VanDerWaalsContact O-NE2 3.1Å
294	G	91.5	Very high	92.8	Very high	1 Å²	1	23 Å²	23	1%	0.01	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	25.8	175.9	0	0	0	0	0	114	S290 Y291 W292 R318	S290-G294 PolarHBondContact O-N 3.46Å; Y291-G294 PolarHBondContact O-N 3.13Å; W292-G294 VanDerWaalsContact C-N 3.34Å; G294-R318 VanDerWaalsContact O-CZ 3.25Å; G294-R318 PolarHBondContact O-NH1 3.42Å; G294-R318 PolarHBondContact O-NH2 3.38Å
295	R	90.8	Very high	92.8	Very high	93 Å²	93	24.4 Å²	24.4	35%	0.351	11%	0.107	S	C	.	.			trans	-73	163.6	175.8	-65.3	-176.6	-174.6	-153	0.2	110.8	L36 S290 T293	L36-R295 HydrophobicContact CD2-CG 4.48Å; S290-R295 WeakPolarHBondContact O-CB 3.23Å; S290-R295 PolarHBondContact O-N 2.95Å; S290-R295 WeakPolarHBondContact OG-CB 3.31Å; T293-R295 PolarHBondContact O-N 3.31Å; T293-R295 VanDerWaalsContact O-N 3.09Å; T293-R295 WeakPolarHBondContact OG1-CG 3.37Å; T293-R295 PolarHBondContact OG1-NE 2.98Å
296	Q	91.8	Very high	92.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	11%	0.107	C	C	.	.			trans	-69.1	144.9	175.7	-58.3	-170.4	116.8	0	0	111.5	L36 T37 Q39 A40 S41 R307 F308	L36-Q296 WeakPolarHBondContact O-CG 3.25Å; L36-Q296 PolarHBondContact O-NE2 3.37Å; T37-Q296 VanDerWaalsContact C-NE2 3.27Å; T37-Q296 VanDerWaalsContact CA-NE2 3.3Å; T37-Q296 PolarHBondContact O-NE2 3.38Å; Q39-Q296 PolarHBondContact O-NE2 3.18Å; A40-Q296 VanDerWaalsContact CA-O 3.28Å; A40-Q296 WeakPolarHBondContact CA-O 3.35Å; A40-Q296 HydrophobicContact CB-CB 3.98Å; S41-Q296 PolarHBondContact N-O 3.02Å; Q296-R307 CarbonylContact C-O 3.37Å; Q296-R307 WeakPolarHBondContact CA-O 3.29Å; Q296-F308 HydrophobicContact CB-CB 4.19Å; Q296-F308 HydrophobicContact CG-CB 4.46Å
297	Y	92.9	Very high	93	Very high	31 Å²	31	21.8 Å²	21.8	12%	0.122	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.6	170.9	64.4	-90.8	0	0	0	111.9	S41 Y291 H305 G306 R307	S41-Y297 CarbonylContact O-C 3.16Å; S41-Y297 VanDerWaalsContact O-CA 3.24Å; S41-Y297 WeakPolarHBondContact O-CA 3.26Å; Y291-Y297 AromaticContact CD1-CD1 3.43Å; Y291-Y297 HydrophobicContact CD1-CD1 3.43Å; Y291-Y297 VanDerWaalsContact CD1-CD1 3.43Å; Y291-Y297 HydrophobicContact CD1-CD2 4.22Å; Y291-Y297 AromaticContact CD1-CE1 3.6Å; Y291-Y297 HydrophobicContact CD1-CE1 3.6Å; Y291-Y297 HydrophobicContact CD1-CE2 4.36Å; Y291-Y297 AromaticContact CD1-CG 3.75Å; Y291-Y297 HydrophobicContact CD1-CG 3.75Å; Y291-Y297 AromaticContact CE1-CD1 3.56Å; Y291-Y297 HydrophobicContact CE1-CD1 3.56Å; Y291-Y297 AromaticContact CE1-CD2 3.51Å; Y291-Y297 HydrophobicContact CE1-CD2 3.51Å; Y291-Y297 AromaticContact CE1-CE1 3.89Å; Y291-Y297 HydrophobicContact CE1-CE1 3.89Å; Y291-Y297 AromaticContact CE1-CE2 3.83Å; Y291-Y297 HydrophobicContact CE1-CE2 3.83Å; Y291-Y297 AromaticContact CE1-CG 3.33Å; Y291-Y297 HydrophobicContact CE1-CG 3.33Å; Y297-H305 WeakPolarHBondContact CD2-O 3.44Å; Y297-H305 WeakPolarHBondContact CE2-O 3.31Å; Y297-G306 CarbonylContact O-C 3.46Å; Y297-G306 WeakPolarHBondContact O-CA 3.36Å; Y297-R307 HydrophobicContact CD1-CB 3.7Å; Y297-R307 HydrophobicContact CD1-CG 4.12Å; Y297-R307 HydrophobicContact CE1-CB 3.34Å; Y297-R307 HydrophobicContact CE1-CG 3.23Å; Y297-R307 HydrophobicContact CE2-CB 4.48Å; Y297-R307 HydrophobicContact CE2-CG 4.23Å; Y297-R307 HydrophobicContact CG-CB 4.42Å; Y297-R307 PolarHBondContact N-O 2.87Å; Y297-R307 CarbonylContact O-C 3.52Å; Y297-R307 PolarHBondContact O-N 3.16Å; Y297-R307 VanDerWaalsContact OH-CG 3.24Å; Y297-R307 WeakPolarHBondContact OH-CG 3.44Å
298	I	95.3	Very high	93.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.5	179.9	-60.7	170.7	0	0	0	107.9	A40 S41 L42 Y43 L82 L83 S86 V88 V300 F308	A40-I298 HydrophobicContact CB-CD1 4.29Å; A40-I298 HydrophobicContact CB-CG1 4.3Å; S41-I298 PolarHBondContact O-N 3.14Å; L42-I298 WeakPolarHBondContact CA-O 3.33Å; L42-I298 HydrophobicContact CB-CB 4.39Å; L42-I298 HydrophobicContact CD1-CB 4.43Å; L42-I298 HydrophobicContact CD1-CG2 4.2Å; Y43-I298 PolarHBondContact N-O 2.8Å; L82-I298 HydrophobicContact CB-CG2 3.59Å; L82-I298 HydrophobicContact CD1-CG2 3.81Å; L82-I298 HydrophobicContact CG-CG2 4.36Å; L83-I298 HydrophobicContact CD2-CD1 3.83Å; S86-I298 WeakPolarHBondContact OG-CD1 3.3Å; V88-I298 HydrophobicContact CG2-CD1 4.16Å; I298-V300 HydrophobicContact CG2-CG2 4.27Å; I298-F308 HydrophobicContact CG1-CD1 4.15Å; I298-F308 HydrophobicContact CG1-CG 4.33Å
299	G	95.4	Very high	93.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118.4	175.7	0	0	0	0	0	112.1	L82 H305 Q323	L82-G299 VanDerWaalsContact CD1-O 3.26Å; L82-G299 WeakPolarHBondContact CD1-O 3.45Å; G299-H305 WeakPolarHBondContact CA-O 3.38Å; G299-H305 PolarHBondContact N-O 3.2Å; G299-Q323 PolarHBondContact O-NE2 2.94Å
300	V	96.3	Very high	93.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.5	177.1	171.9	0	0	0	0	109.8	L42 Y43 V44 H45 L75 E78 L82 I298 A304	L42-V300 HydrophobicContact CD1-CB 3.85Å; L42-V300 HydrophobicContact CD1-CG2 3.3Å; Y43-V300 PolarHBondContact O-N 2.95Å; V44-V300 WeakPolarHBondContact CA-O 3.47Å; H45-V300 PolarHBondContact N-O 3.09Å; L75-V300 HydrophobicContact CD2-CG1 3.87Å; E78-V300 HydrophobicContact CB-CG1 4.15Å; E78-V300 HydrophobicContact CG-CG1 4.26Å; E78-V300 HydrophobicContact CG-CG2 4.4Å; E78-V300 WeakPolarHBondContact OE2-CA 3.33Å; L82-V300 HydrophobicContact CD1-CG2 3.84Å; I298-V300 HydrophobicContact CG2-CG2 4.27Å; V300-A304 VanDerWaalsContact C-CB 3.49Å; V300-A304 VanDerWaalsContact O-CB 3.3Å; V300-A304 WeakPolarHBondContact O-CB 3.29Å
301	G	96	Very high	93.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	103.6	168.3	176.5	0	0	0	0	0	113.6	E78 G303 A304 Q323	E78-G301 PolarHBondContact OE2-N 2.66Å; G301-G303 PolarHBondContact O-N 3.35Å; G301-A304 WeakPolarHBondContact O-CB 3.37Å; G301-A304 PolarHBondContact O-N 3.09Å; G301-Q323 VanDerWaalsContact O-CB 3.23Å; G301-Q323 WeakPolarHBondContact O-CB 3.46Å; G301-Q323 WeakPolarHBondContact O-CG 3.4Å
302	P	95.9	Very high	93.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	123.5	-174.4	-24.4	34.7	0	0	0	112.7	H45 P47 N59 M71 A304 T324 L325 P327 W330	H45-P302 PolarHBondContact CD2-O 2.96Å; H45-P302 PolarHBondContact NE2-O 3.48Å; P47-P302 HydrophobicContact CB-CB 4.37Å; P47-P302 HydrophobicContact CB-CG 4.35Å; P47-P302 HydrophobicContact CG-CG 4.03Å; N59-P302 PolarHBondContact ND2-O 3.42Å; M71-P302 HydrophobicContact CE-CG 4.15Å; M71-P302 HydrophobicContact SD-CG 4.47Å; P302-A304 PolarHBondContact O-N 3.44Å; P302-T324 CarbonylContact C-O 3.57Å; P302-T324 WeakPolarHBondContact CA-O 3.48Å; P302-L325 VanDerWaalsContact CB-O 3.29Å; P302-L325 WeakPolarHBondContact CB-O 3.42Å; P302-P327 HydrophobicContact CB-CG 4.25Å; P302-P327 HydrophobicContact CG-CB 4.19Å; P302-P327 HydrophobicContact CG-CG 4.25Å; P302-W330 HydrophobicContact CB-CB 4.21Å; P302-W330 HydrophobicContact CB-CD2 4.5Å; P302-W330 HydrophobicContact CB-CG 4.19Å; P302-W330 HydrophobicContact CG-CB 4.08Å; P302-W330 HydrophobicContact CG-CD2 3.68Å; P302-W330 HydrophobicContact CG-CE3 3.67Å; P302-W330 HydrophobicContact CG-CG 3.86Å; P302-W330 HydrophobicContact CG-CZ3 4.35Å
303	G	95.1	Very high	93.7	Very high	8 Å²	8	24 Å²	24	8%	0.082	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	5.1	-179.3	0	0	0	0	0	115.2	G301 H305 Q323 T324	G301-G303 PolarHBondContact O-N 3.35Å; G303-H305 PolarHBondContact O-CE1 2.91Å; G303-H305 PolarHBondContact O-ND1 3.15Å; G303-H305 VanDerWaalsContact O-ND1 3.1Å; G303-Q323 WeakPolarHBondContact CA-O 3.27Å; G303-T324 PolarHBondContact N-O 3.48Å
304	A	95.7	Very high	93.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.			trans	-63.6	151.1	175.5	0	0	0	0	0	111.8	Y43 H45 V300 G301 P302 Q323	Y43-A304 HydrophobicContact CD1-CB 3.94Å; Y43-A304 HydrophobicContact CE1-CB 3.88Å; H45-A304 HydrophobicContact CB-CB 3.98Å; V300-A304 VanDerWaalsContact C-CB 3.49Å; V300-A304 VanDerWaalsContact O-CB 3.3Å; V300-A304 WeakPolarHBondContact O-CB 3.29Å; G301-A304 WeakPolarHBondContact O-CB 3.37Å; G301-A304 PolarHBondContact O-N 3.09Å; P302-A304 PolarHBondContact O-N 3.44Å; A304-Q323 HydrophobicContact CB-CG 3.95Å; A304-Q323 WeakPolarHBondContact O-CG 3.48Å; A304-Q323 PolarHBondContact O-N 2.81Å
305	H	95.1	Very high	93.2	Very high	87 Å²	87	26.7 Å²	26.7	40%	0.403	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.7	177.3	-70.1	74.9	0	0	0	110.2	Y297 G299 G303 R321 T322	Y297-H305 WeakPolarHBondContact CD2-O 3.44Å; Y297-H305 WeakPolarHBondContact CE2-O 3.31Å; G299-H305 WeakPolarHBondContact CA-O 3.38Å; G299-H305 PolarHBondContact N-O 3.2Å; G303-H305 PolarHBondContact O-CE1 2.91Å; G303-H305 PolarHBondContact O-ND1 3.15Å; G303-H305 VanDerWaalsContact O-ND1 3.1Å; H305-R321 CarbonylContact C-O 3.54Å; H305-R321 VanDerWaalsContact CA-O 3.29Å; H305-R321 WeakPolarHBondContact CA-O 3.15Å; H305-T322 PolarHBondContact CD2-OG1 3.16Å; H305-T322 WeakPolarHBondContact NE2-CG2 3.48Å; H305-T322 PolarHBondContact NE2-OG1 3.26Å
306	G	94.9	Very high	93	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.8	173.9	0	0	0	0	0	112.2	Y297 A320 R321	Y297-G306 CarbonylContact O-C 3.46Å; Y297-G306 WeakPolarHBondContact O-CA 3.36Å; G306-A320 WeakPolarHBondContact O-CA 3.12Å; G306-R321 PolarHBondContact N-O 2.86Å; G306-R321 PolarHBondContact O-N 2.84Å
307	R	94.2	Very high	93	Very high	49 Å²	49	29.7 Å²	29.7	19%	0.185	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	100	168.4	-65.9	-71.2	-177.8	-76.3	-1.2	108.5	Q296 Y297 E319 E355	Q296-R307 CarbonylContact C-O 3.37Å; Q296-R307 WeakPolarHBondContact CA-O 3.29Å; Y297-R307 HydrophobicContact CD1-CB 3.7Å; Y297-R307 HydrophobicContact CD1-CG 4.12Å; Y297-R307 HydrophobicContact CE1-CB 3.34Å; Y297-R307 HydrophobicContact CE1-CG 3.23Å; Y297-R307 HydrophobicContact CE2-CB 4.48Å; Y297-R307 HydrophobicContact CE2-CG 4.23Å; Y297-R307 HydrophobicContact CG-CB 4.42Å; Y297-R307 PolarHBondContact N-O 2.87Å; Y297-R307 CarbonylContact O-C 3.52Å; Y297-R307 PolarHBondContact O-N 3.16Å; Y297-R307 VanDerWaalsContact OH-CG 3.24Å; Y297-R307 WeakPolarHBondContact OH-CG 3.44Å; R307-E319 WeakPolarHBondContact CA-O 3.36Å; R307-E355 VanDerWaalsContact CD-OE2 3.26Å; R307-E355 WeakPolarHBondContact CD-OE2 3.29Å; R307-E355 IonicContact NE-OE2 3.84Å; R307-E355 PolarHBondContact NE-OE2 3Å
308	F	94.5	Very high	93	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.4	178.6	68.3	-85.6	0	0	0	111	L82 S86 Q296 I298 P310 E319 R321	L82-F308 HydrophobicContact CD2-CZ 4.48Å; S86-F308 VanDerWaalsContact CB-CD2 3.5Å; Q296-F308 HydrophobicContact CB-CB 4.19Å; Q296-F308 HydrophobicContact CG-CB 4.46Å; I298-F308 HydrophobicContact CG1-CD1 4.15Å; I298-F308 HydrophobicContact CG1-CG 4.33Å; F308-P310 HydrophobicContact CE2-CB 3.99Å; F308-E319 PolarHBondContact N-O 3.01Å; F308-E319 PolarHBondContact O-N 3.02Å; F308-R321 HydrophobicContact CE1-CG 4.49Å
309	V	93.9	Very high	92.9	Very high	14 Å²	14	30.5 Å²	30.5	9%	0.085	19%	0.189	C	C	.	.			trans	-85.5	120	172.7	-176.7	0	0	0	0	108.3	T37 L311 G315 R318	T37-V309 HydrophobicContact CG2-CG2 4.32Å; V309-L311 HydrophobicContact CG1-CD2 3.89Å; V309-L311 HydrophobicContact CG1-CG 4.04Å; V309-L311 PolarHBondContact O-N 2.68Å; V309-G315 WeakPolarHBondContact CG1-O 3.47Å; V309-R318 HydrophobicContact CG2-CB 4.33Å
310	P	93.6	Very high	93	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.191	C	C	.	.			trans	-84.3	69.1	-177.4	36.8	-37.1	0	0	0	111	L85 F308 G312 E313 G315 A317 E319 R321	L85-P310 CarbonylContact O-C 3.58Å; L85-P310 VanDerWaalsContact O-CA 3.25Å; L85-P310 WeakPolarHBondContact O-CA 3.24Å; F308-P310 HydrophobicContact CE2-CB 3.99Å; P310-G312 PolarHBondContact O-N 2.95Å; P310-G312 VanDerWaalsContact O-N 3.14Å; P310-E313 HydrophobicContact CB-CG 3.95Å; P310-E313 WeakPolarHBondContact CB-OE1 3.43Å; P310-E313 HydrophobicContact CG-CG 4.22Å; P310-E313 WeakPolarHBondContact CG-OE1 2.91Å; P310-E313 WeakPolarHBondContact O-CG 3.41Å; P310-E313 PolarHBondContact O-N 2.78Å; P310-E313 VanDerWaalsContact O-N 3.16Å; P310-G315 PolarHBondContact O-N 2.84Å; P310-G315 VanDerWaalsContact O-N 3.09Å; P310-A317 WeakPolarHBondContact CD-O 3.45Å; P310-E319 HydrophobicContact CG-CG 4.05Å; P310-R321 VanDerWaalsContact CB-NH2 3.35Å
311	L	92.9	Very high	93	Very high	66 Å²	66	30.7 Å²	30.7	35%	0.346	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-56.4	-30.8	-178.7	-67.7	171.5	0	0	0	112.5	L85 Q87 V309 E313 G314 G315	L85-L311 PolarHBondContact O-N 3.39Å; Q87-L311 HydrophobicContact CB-CB 3.96Å; Q87-L311 HydrophobicContact CB-CD1 4.37Å; Q87-L311 HydrophobicContact CG-CB 4.04Å; Q87-L311 PolarHBondContact NE2-O 2.78Å; V309-L311 HydrophobicContact CG1-CD2 3.89Å; V309-L311 HydrophobicContact CG1-CG 4.04Å; V309-L311 PolarHBondContact O-N 2.68Å; L311-E313 PolarHBondContact O-N 3.47Å; L311-G314 PolarHBondContact O-N 3.13Å; L311-G315 WeakPolarHBondContact CD2-O 3.13Å
312	G	89.8	Confident	93.1	Very high	39 Å²	39	31.9 Å²	31.9	40%	0.402	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-60.6	-21.4	179.8	0	0	0	0	0	114.8	L85 Q87 P310	L85-G312 WeakPolarHBondContact O-CA 3.3Å; L85-G312 PolarHBondContact O-N 2.93Å; Q87-G312 VanDerWaalsContact NE2-CA 3.28Å; P310-G312 PolarHBondContact O-N 2.95Å; P310-G312 VanDerWaalsContact O-N 3.14Å
313	E	91	Very high	93.2	Very high	89 Å²	89	32 Å²	32	42%	0.416	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-111.9	15.4	174	63.5	-170.1	176.7	0	0	112.7	P310 L311 R321 R344	P310-E313 HydrophobicContact CB-CG 3.95Å; P310-E313 WeakPolarHBondContact CB-OE1 3.43Å; P310-E313 HydrophobicContact CG-CG 4.22Å; P310-E313 WeakPolarHBondContact CG-OE1 2.91Å; P310-E313 WeakPolarHBondContact O-CG 3.41Å; P310-E313 PolarHBondContact O-N 2.78Å; P310-E313 VanDerWaalsContact O-N 3.16Å; L311-E313 PolarHBondContact O-N 3.47Å; E313-R321 IonicContact OE1-CZ 3.95Å; E313-R321 IonicContact OE1-NH2 3.23Å; E313-R321 PolarHBondContact OE1-NH2 2.85Å; E313-R344 IonicContact OE1-NH1 3.97Å; E313-R344 PolarHBondContact OE1-NH1 3.5Å; E313-R344 IonicContact OE2-NH1 2.8Å; E313-R344 PolarHBondContact OE2-NH1 3.15Å; E313-R344 VanDerWaalsContact OE2-NH1 3.13Å
314	G	87.4	Confident	93.4	Very high	61 Å²	61	31.6 Å²	31.6	63%	0.629	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	16.6	-178.7	0	0	0	0	0	114.2	L311	L311-G314 PolarHBondContact O-N 3.13Å
315	G	85.9	Confident	93.4	Very high	19 Å²	19	35.2 Å²	35.2	20%	0.196	21%	0.213	C	C	.	.			trans	-66.4	139.5	176.5	0	0	0	0	0	112	V309 P310 L311	V309-G315 WeakPolarHBondContact CG1-O 3.47Å; P310-G315 PolarHBondContact O-N 2.84Å; P310-G315 VanDerWaalsContact O-N 3.09Å; L311-G315 WeakPolarHBondContact CD2-O 3.13Å
316	V	86.7	Confident	93.4	Very high	137 Å²	137	34.6 Å²	34.6	83%	0.83	21%	0.211	S	C	*	.			trans	-115.9	-7.5	179.3	-63	0	0	0	0	113.2
317	A	90.1	Very high	93.4	Very high	22 Å²	22	34.9 Å²	34.9	18%	0.182	21%	0.212	C	C	.	.	S	Bend	trans	-122.2	154.5	-178.7	0	0	0	0	0	110.8	P310 Q346	P310-A317 WeakPolarHBondContact CD-O 3.45Å; A317-Q346 HydrophobicContact CB-CG 3.8Å
318	R	92.8	Very high	93.5	Very high	21 Å²	21	37 Å²	37	8%	0.079	23%	0.228	C	C	.	.			trans	-67	137.3	176.8	-179.3	177	-72.7	-168.4	0.6	109.8	G294 V309 L347 E355	G294-R318 VanDerWaalsContact O-CZ 3.25Å; G294-R318 PolarHBondContact O-NH1 3.42Å; G294-R318 PolarHBondContact O-NH2 3.38Å; V309-R318 HydrophobicContact CG2-CB 4.33Å; R318-L347 HydrophobicContact CG-CD1 4.09Å; R318-L347 PolarHBondContact O-N 3.33Å; R318-E355 IonicContact NH1-OE1 3.25Å; R318-E355 PolarHBondContact NH1-OE1 3Å
319	E	95	Very high	93.6	Very high	27 Å²	27	39 Å²	39	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.7	171.7	-68.5	-171.1	175.3	0	0	112.1	R307 F308 P310 R321 I345	R307-E319 WeakPolarHBondContact CA-O 3.36Å; F308-E319 PolarHBondContact N-O 3.01Å; F308-E319 PolarHBondContact O-N 3.02Å; P310-E319 HydrophobicContact CG-CG 4.05Å; E319-R321 HydrophobicContact CB-CG 4.36Å; E319-R321 IonicContact OE1-NH2 3.57Å; E319-R321 IonicContact OE2-CZ 3.92Å; E319-R321 IonicContact OE2-NE 2.77Å; E319-R321 PolarHBondContact OE2-NE 3.43Å; E319-R321 IonicContact OE2-NH2 2.95Å; E319-R321 PolarHBondContact OE2-NH2 2.88Å; E319-I345 CarbonylContact C-O 3.51Å; E319-I345 VanDerWaalsContact CA-O 3.29Å; E319-I345 WeakPolarHBondContact CA-O 3.17Å
320	A	96.4	Very high	93.8	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117	159	0	0	0	0	0	110	G306 R344 I345 L347	G306-A320 WeakPolarHBondContact O-CA 3.12Å; A320-R344 CarbonylContact O-C 3.49Å; A320-R344 WeakPolarHBondContact O-CA 3.2Å; A320-I345 HydrophobicContact CB-CB 4.22Å; A320-I345 PolarHBondContact N-O 3.08Å; A320-I345 PolarHBondContact O-N 2.96Å; A320-L347 HydrophobicContact CB-CD2 4.5Å
321	R	96.9	Very high	94	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.2	175.4	-65.5	-169.1	175.4	-171.4	0.5	111	H305 G306 F308 P310 E313 E319 T341 R343 R344	H305-R321 CarbonylContact C-O 3.54Å; H305-R321 VanDerWaalsContact CA-O 3.29Å; H305-R321 WeakPolarHBondContact CA-O 3.15Å; G306-R321 PolarHBondContact N-O 2.86Å; G306-R321 PolarHBondContact O-N 2.84Å; F308-R321 HydrophobicContact CE1-CG 4.49Å; P310-R321 VanDerWaalsContact CB-NH2 3.35Å; E313-R321 IonicContact OE1-CZ 3.95Å; E313-R321 IonicContact OE1-NH2 3.23Å; E313-R321 PolarHBondContact OE1-NH2 2.85Å; E319-R321 HydrophobicContact CB-CG 4.36Å; E319-R321 IonicContact OE1-NH2 3.57Å; E319-R321 IonicContact OE2-CZ 3.92Å; E319-R321 IonicContact OE2-NE 2.77Å; E319-R321 PolarHBondContact OE2-NE 3.43Å; E319-R321 IonicContact OE2-NH2 2.95Å; E319-R321 PolarHBondContact OE2-NH2 2.88Å; R321-T341 HydrophobicContact CB-CG2 4.12Å; R321-T341 HydrophobicContact CG-CG2 4.17Å; R321-R343 WeakPolarHBondContact CA-O 3.44Å; R321-R344 HydrophobicContact CG-CG 4.33Å
322	T	97.9	Very high	94.2	Very high	25 Å²	25	42.6 Å²	42.6	15%	0.153	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.5	170.6	-56.9	0	0	0	0	108.9	H305 R342 R343	H305-T322 PolarHBondContact CD2-OG1 3.16Å; H305-T322 WeakPolarHBondContact NE2-CG2 3.48Å; H305-T322 PolarHBondContact NE2-OG1 3.26Å; T322-R342 PolarHBondContact O-N 2.81Å; T322-R343 PolarHBondContact N-O 3.22Å; T322-R343 PolarHBondContact O-N 2.99Å
323	Q	97.9	Very high	94.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	154.4	173.7	-49.1	-49.9	-14.6	0	0	110.7	E78 G299 G301 G303 A304 L325 G340 T341	E78-Q323 PolarHBondContact OE1-OE1 2.69Å; G299-Q323 PolarHBondContact O-NE2 2.94Å; G301-Q323 VanDerWaalsContact O-CB 3.23Å; G301-Q323 WeakPolarHBondContact O-CB 3.46Å; G301-Q323 WeakPolarHBondContact O-CG 3.4Å; G303-Q323 WeakPolarHBondContact CA-O 3.27Å; A304-Q323 HydrophobicContact CB-CG 3.95Å; A304-Q323 WeakPolarHBondContact O-CG 3.48Å; A304-Q323 PolarHBondContact O-N 2.81Å; Q323-L325 PolarHBondContact O-N 2.63Å; Q323-G340 CarbonylContact C-O 3.54Å; Q323-G340 WeakPolarHBondContact CA-O 3.34Å; Q323-G340 PolarHBondContact OE1-O 2.77Å; Q323-T341 PolarHBondContact OE1-OG1 3.2Å
324	T	98.1	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.			trans	-54.2	130.1	173.6	-72.4	0	0	0	0	111.1	P302 G303 V329 W330 E333 G340 R342	P302-T324 CarbonylContact C-O 3.57Å; P302-T324 WeakPolarHBondContact CA-O 3.48Å; G303-T324 PolarHBondContact N-O 3.48Å; T324-V329 HydrophobicContact CG2-CB 3.7Å; T324-V329 HydrophobicContact CG2-CG1 3.74Å; T324-W330 HydrophobicContact CG2-CB 4.13Å; T324-E333 WeakPolarHBondContact CB-OE2 3.26Å; T324-E333 PolarHBondContact OG1-OE2 2.68Å; T324-G340 PolarHBondContact N-O 3.11Å; T324-G340 PolarHBondContact OG1-O 3.32Å; T324-R342 WeakPolarHBondContact OG1-CB 3.45Å
325	L	95.9	Very high	95.5	Very high	76 Å²	76	42.6 Å²	42.6	40%	0.398	21%	0.214	S	C	.	.	S	Bend	trans	-69.4	-43.5	-173	-76.8	71.4	0	0	0	112	N59 Y61 P302 Q323 P327	N59-L325 PolarHBondContact ND2-O 3.29Å; N59-L325 VanDerWaalsContact ND2-O 3.16Å; Y61-L325 WeakPolarHBondContact CE2-O 3.43Å; Y61-L325 PolarHBondContact OH-O 3.16Å; P302-L325 VanDerWaalsContact CB-O 3.29Å; P302-L325 WeakPolarHBondContact CB-O 3.42Å; Q323-L325 PolarHBondContact O-N 2.63Å; L325-P327 WeakPolarHBondContact O-CD 3.46Å
326	E	95.9	Very high	96	Very high	74 Å²	74	48.6 Å²	48.6	35%	0.346	24%	0.237	S	C	.	.	S	Bend	trans	-79.4	119.7	-171.4	-57.3	87	166.1	0	0	112	Y61 D328 V329 W330 R342	Y61-E326 WeakPolarHBondContact OH-CA 3.27Å; E326-D328 PolarHBondContact O-N 3.1Å; E326-V329 HydrophobicContact CB-CB 4.18Å; E326-V329 HydrophobicContact CB-CG2 3.83Å; E326-V329 PolarHBondContact O-N 3.12Å; E326-V329 VanDerWaalsContact O-N 3.07Å; E326-W330 WeakPolarHBondContact O-CB 3.44Å; E326-W330 PolarHBondContact O-N 3.48Å; E326-R342 IonicContact OE1-NH1 3.17Å; E326-R342 IonicContact OE2-NH1 3.59Å; E326-R342 PolarHBondContact OE2-NH1 3.07Å
327	P	95	Very high	96.5	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.039	23%	0.225	C	C	.	.	H	α-helix	trans	-54.7	-43.8	-173.6	-31.1	36.3	0	0	0	114.5	P47 Y48 Y61 M71 P302 L325 V329 W330 I331	P47-P327 HydrophobicContact CB-CG 3.77Å; P47-P327 HydrophobicContact CG-CB 4.29Å; P47-P327 HydrophobicContact CG-CG 3.78Å; Y48-P327 HydrophobicContact CE1-CB 4.2Å; Y48-P327 HydrophobicContact CE1-CG 4.16Å; Y48-P327 WeakPolarHBondContact OH-CB 3.16Å; Y61-P327 HydrophobicContact CD1-CG 4.36Å; Y61-P327 VanDerWaalsContact CD2-CD 3.48Å; Y61-P327 HydrophobicContact CD2-CG 3.53Å; Y61-P327 HydrophobicContact CE2-CG 3.89Å; Y61-P327 HydrophobicContact CG-CG 3.8Å; Y61-P327 VanDerWaalsContact CZ-CD 3.48Å; M71-P327 HydrophobicContact CE-CB 3.96Å; P302-P327 HydrophobicContact CB-CG 4.25Å; P302-P327 HydrophobicContact CG-CB 4.19Å; P302-P327 HydrophobicContact CG-CG 4.25Å; L325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-V329 VanDerWaalsContact C-N 3.32Å; P327-V329 PolarHBondContact O-N 2.98Å; P327-W330 PolarHBondContact O-N 3.07Å; P327-I331 WeakPolarHBondContact O-CB 3.35Å; P327-I331 WeakPolarHBondContact O-CG1 3.43Å; P327-I331 PolarHBondContact O-N 2.89Å
328	D	95.2	Very high	96.8	Very high	94 Å²	94	48.4 Å²	48.4	50%	0.503	22%	0.218	S	C	.	.	H	α-helix	trans	-68.5	-33.7	-178	-60.8	-26	0	0	0	112.2	E326 R332	E326-D328 PolarHBondContact O-N 3.1Å; D328-R332 WeakPolarHBondContact O-CG 3.48Å; D328-R332 PolarHBondContact O-N 2.97Å
329	V	96.9	Very high	97.1	Very high	42 Å²	42	48.7 Å²	48.7	26%	0.255	22%	0.22	S	C	.	.	H	α-helix	trans	-72.9	-47.8	176.2	-173.1	0	0	0	0	109.2	T324 E326 P327 I331 R332 E333	T324-V329 HydrophobicContact CG2-CB 3.7Å; T324-V329 HydrophobicContact CG2-CG1 3.74Å; E326-V329 HydrophobicContact CB-CB 4.18Å; E326-V329 HydrophobicContact CB-CG2 3.83Å; E326-V329 PolarHBondContact O-N 3.12Å; E326-V329 VanDerWaalsContact O-N 3.07Å; P327-V329 VanDerWaalsContact C-N 3.32Å; P327-V329 PolarHBondContact O-N 2.98Å; V329-I331 PolarHBondContact O-N 3.17Å; V329-R332 WeakPolarHBondContact O-CB 3.45Å; V329-R332 PolarHBondContact O-N 3.27Å; V329-R332 VanDerWaalsContact O-N 3.1Å; V329-E333 WeakPolarHBondContact O-CG 3.19Å; V329-E333 PolarHBondContact O-N 3.12Å
330	W	97.9	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-44.9	177	176.4	90.9	0	0	0	111.7	M71 C74 L75 E78 P302 T324 E326 P327 R332 E333 V334	M71-W330 HydrophobicContact CE-CZ3 4.33Å; M71-W330 HydrophobicContact SD-CE3 4.21Å; M71-W330 HydrophobicContact SD-CH2 4.17Å; M71-W330 HydrophobicContact SD-CZ3 3.5Å; M71-W330 VanDerWaalsContact SD-CZ3 3.5Å; C74-W330 HydrophobicContact CB-CE3 4.38Å; C74-W330 HydrophobicContact CB-CH2 3.54Å; C74-W330 HydrophobicContact CB-CZ3 3.39Å; L75-W330 HydrophobicContact CD2-CH2 3.7Å; L75-W330 HydrophobicContact CD2-CZ2 4.09Å; L75-W330 HydrophobicContact CG-CH2 3.96Å; E78-W330 HydrophobicContact CB-CZ2 4.11Å; E78-W330 PolarHBondContact OE1-NE1 2.77Å; E78-W330 WeakPolarHBondContact OE2-CZ2 3.27Å; E78-W330 PolarHBondContact OE2-NE1 3.34Å; E78-W330 VanDerWaalsContact OE2-NE1 3.1Å; P302-W330 HydrophobicContact CB-CB 4.21Å; P302-W330 HydrophobicContact CB-CD2 4.5Å; P302-W330 HydrophobicContact CB-CG 4.19Å; P302-W330 HydrophobicContact CG-CB 4.08Å; P302-W330 HydrophobicContact CG-CD2 3.68Å; P302-W330 HydrophobicContact CG-CE3 3.67Å; P302-W330 HydrophobicContact CG-CG 3.86Å; P302-W330 HydrophobicContact CG-CZ3 4.35Å; T324-W330 HydrophobicContact CG2-CB 4.13Å; E326-W330 WeakPolarHBondContact O-CB 3.44Å; E326-W330 PolarHBondContact O-N 3.48Å; P327-W330 PolarHBondContact O-N 3.07Å; W330-R332 VanDerWaalsContact C-N 3.3Å; W330-R332 PolarHBondContact O-N 2.98Å; W330-E333 PolarHBondContact O-N 2.79Å; W330-E333 VanDerWaalsContact O-N 3.16Å; W330-V334 HydrophobicContact CD2-CG2 3.83Å; W330-V334 VanDerWaalsContact CE2-CG2 3.45Å; W330-V334 HydrophobicContact CE3-CG2 4.3Å; W330-V334 HydrophobicContact CG-CG2 4.34Å; W330-V334 HydrophobicContact CH2-CG2 4.13Å; W330-V334 HydrophobicContact CZ2-CG2 3.62Å; W330-V334 HydrophobicContact CZ3-CG2 4.44Å; W330-V334 WeakPolarHBondContact O-CG2 3.41Å; W330-V334 PolarHBondContact O-N 3.49Å
331	I	97.5	Very high	97.3	Very high	10 Å²	10	48 Å²	48	5%	0.051	22%	0.217	C	C	.	.	H	α-helix	trans	-55.8	-44.6	175.2	-76.6	164.8	0	0	0	111.1	I70 M71 P327 V329 R335	I70-I331 HydrophobicContact CG2-CD1 4.02Å; I70-I331 HydrophobicContact CG2-CG1 4.29Å; I70-I331 HydrophobicContact CG2-CG2 3.65Å; M71-I331 HydrophobicContact CE-CD1 4.04Å; M71-I331 HydrophobicContact CE-CG1 4.36Å; P327-I331 WeakPolarHBondContact O-CB 3.35Å; P327-I331 WeakPolarHBondContact O-CG1 3.43Å; P327-I331 PolarHBondContact O-N 2.89Å; V329-I331 PolarHBondContact O-N 3.17Å; I331-R335 WeakPolarHBondContact O-CB 3.35Å; I331-R335 VanDerWaalsContact O-CG 3.26Å; I331-R335 WeakPolarHBondContact O-CG 3.45Å; I331-R335 PolarHBondContact O-N 2.74Å; I331-R335 VanDerWaalsContact O-N 3.09Å
332	R	97.7	Very high	97.3	Very high	146 Å²	146	55.2 Å²	55.2	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-65.4	-41.9	179.3	-72.6	-174.7	-60	-146.3	3.2	111.7	D328 V329 W330 R335 Q336	D328-R332 WeakPolarHBondContact O-CG 3.48Å; D328-R332 PolarHBondContact O-N 2.97Å; V329-R332 WeakPolarHBondContact O-CB 3.45Å; V329-R332 PolarHBondContact O-N 3.27Å; V329-R332 VanDerWaalsContact O-N 3.1Å; W330-R332 VanDerWaalsContact C-N 3.3Å; W330-R332 PolarHBondContact O-N 2.98Å; R332-R335 PolarHBondContact O-N 2.89Å; R332-Q336 VanDerWaalsContact O-CG 3.3Å; R332-Q336 WeakPolarHBondContact O-CG 3.19Å; R332-Q336 PolarHBondContact O-N 3.22Å; R332-Q336 VanDerWaalsContact O-N 3.16Å
333	E	98.3	Very high	97.3	Very high	30 Å²	30	61.5 Å²	61.5	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-45.6	-179.9	-69.5	175.7	150.8	0	0	111.8	T324 V329 W330 R335 Q336 R337	T324-E333 WeakPolarHBondContact CB-OE2 3.26Å; T324-E333 PolarHBondContact OG1-OE2 2.68Å; V329-E333 WeakPolarHBondContact O-CG 3.19Å; V329-E333 PolarHBondContact O-N 3.12Å; W330-E333 PolarHBondContact O-N 2.79Å; W330-E333 VanDerWaalsContact O-N 3.16Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 2.95Å; E333-Q336 PolarHBondContact O-N 3.38Å; E333-Q336 VanDerWaalsContact O-N 3.07Å; E333-R337 PolarHBondContact O-N 3.04Å
334	V	98.5	Very high	97.2	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-42.8	176	172.4	0	0	0	0	111.3	C74 R77 E78 W330 Q336 G338	C74-V334 HydrophobicContact CB-CB 4.24Å; C74-V334 HydrophobicContact CB-CG1 3.81Å; C74-V334 WeakPolarHBondContact O-CG1 3.41Å; R77-V334 HydrophobicContact CB-CG1 4.02Å; R77-V334 HydrophobicContact CG-CG1 4.05Å; E78-V334 HydrophobicContact CB-CG1 4.31Å; E78-V334 HydrophobicContact CB-CG2 4.22Å; W330-V334 HydrophobicContact CD2-CG2 3.83Å; W330-V334 VanDerWaalsContact CE2-CG2 3.45Å; W330-V334 HydrophobicContact CE3-CG2 4.3Å; W330-V334 HydrophobicContact CG-CG2 4.34Å; W330-V334 HydrophobicContact CH2-CG2 4.13Å; W330-V334 HydrophobicContact CZ2-CG2 3.62Å; W330-V334 HydrophobicContact CZ3-CG2 4.44Å; W330-V334 WeakPolarHBondContact O-CG2 3.41Å; W330-V334 PolarHBondContact O-N 3.49Å; V334-Q336 VanDerWaalsContact C-N 3.26Å; V334-Q336 PolarHBondContact O-N 3.41Å; V334-G338 WeakPolarHBondContact O-CA 3.38Å; V334-G338 PolarHBondContact O-N 3.21Å
335	R	98	Very high	97.1	Very high	158 Å²	158	69.2 Å²	69.2	60%	0.596	30%	0.298	S	S	*	.	H	α-helix	trans	-62.6	-32.6	176.2	-76.3	173.8	171.6	-170.9	-4.4	113.2	I331 R332 E333	I331-R335 WeakPolarHBondContact O-CB 3.35Å; I331-R335 VanDerWaalsContact O-CG 3.26Å; I331-R335 WeakPolarHBondContact O-CG 3.45Å; I331-R335 PolarHBondContact O-N 2.74Å; I331-R335 VanDerWaalsContact O-N 3.09Å; R332-R335 PolarHBondContact O-N 2.89Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 2.95Å
336	Q	97.6	Very high	97.1	Very high	145 Å²	145	71.7 Å²	71.7	68%	0.678	31%	0.308	S	S	*	.	H	α-helix	trans	-85.9	-37.7	-178.1	-72.8	176.2	3.6	0	0	113.2	R332 E333 V334	R332-Q336 VanDerWaalsContact O-CG 3.3Å; R332-Q336 WeakPolarHBondContact O-CG 3.19Å; R332-Q336 PolarHBondContact O-N 3.22Å; R332-Q336 VanDerWaalsContact O-N 3.16Å; E333-Q336 PolarHBondContact O-N 3.38Å; E333-Q336 VanDerWaalsContact O-N 3.07Å; V334-Q336 VanDerWaalsContact C-N 3.26Å; V334-Q336 PolarHBondContact O-N 3.41Å
337	R	96.5	Very high	96.9	Very high	153 Å²	153	69.3 Å²	69.3	58%	0.577	30%	0.297	S	S	*	.	H	α-helix	trans	-125.3	-6.4	-165.8	-54.5	179.9	-166	155.8	5.6	113.9	E333 H339	E333-R337 PolarHBondContact O-N 3.04Å; R337-H339 VanDerWaalsContact C-N 3.27Å; R337-H339 PolarHBondContact O-N 3.01Å
338	G	97.6	Very high	96.8	Very high	3 Å²	3	70.8 Å²	70.8	3%	0.031	31%	0.314	C	S	.	.	S	Bend	trans	87.3	-21.2	-175	0	0	0	0	0	114.4	E78 T81 V334	E78-G338 WeakPolarHBondContact CA-O 3.38Å; E78-G338 PolarHBondContact N-O 3.08Å; T81-G338 WeakPolarHBondContact CB-O 3.45Å; T81-G338 WeakPolarHBondContact OG1-CA 3.42Å; T81-G338 PolarHBondContact OG1-O 3.04Å; T81-G338 VanDerWaalsContact OG1-O 3.07Å; V334-G338 WeakPolarHBondContact O-CA 3.38Å; V334-G338 PolarHBondContact O-N 3.21Å
339	H	97.8	Very high	96.8	Very high	26 Å²	26	70.8 Å²	70.8	12%	0.12	31%	0.311	C	S	.	.	S	Bend	trans	-146.2	160	178.8	68.5	88.9	0	0	0	111.2	E78 T81 L82 R337 T341 R344	E78-H339 HydrophobicContact CG-CB 3.94Å; T81-H339 HydrophobicContact CG2-CB 4.13Å; L82-H339 HydrophobicContact CD2-CB 4.1Å; R337-H339 VanDerWaalsContact C-N 3.27Å; R337-H339 PolarHBondContact O-N 3.01Å; H339-T341 WeakPolarHBondContact ND1-CB 3.35Å; H339-T341 PolarHBondContact ND1-N 3.45Å; H339-T341 PolarHBondContact ND1-OG1 3.13Å; H339-R344 PolarHBondContact CE1-NH2 3.44Å; H339-R344 VanDerWaalsContact CE1-NH2 3.28Å
340	G	97.8	Very high	96.7	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.01	31%	0.307	C	S	.	.			trans	-104.3	29.6	-179.5	0	0	0	0	0	114	E78 Q323 T324 R342	E78-G340 PolarHBondContact OE1-N 2.87Å; Q323-G340 CarbonylContact C-O 3.54Å; Q323-G340 WeakPolarHBondContact CA-O 3.34Å; Q323-G340 PolarHBondContact OE1-O 2.77Å; T324-G340 PolarHBondContact N-O 3.11Å; T324-G340 PolarHBondContact OG1-O 3.32Å; G340-R342 PolarHBondContact O-N 2.78Å; G340-R342 VanDerWaalsContact O-N 3.16Å
341	T	97.8	Very high	96.6	Very high	16 Å²	16	74.7 Å²	74.7	10%	0.098	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	114.4	-175.8	-54.5	0	0	0	0	110.9	R321 Q323 H339 R344	R321-T341 HydrophobicContact CB-CG2 4.12Å; R321-T341 HydrophobicContact CG-CG2 4.17Å; Q323-T341 PolarHBondContact OE1-OG1 3.2Å; H339-T341 WeakPolarHBondContact ND1-CB 3.35Å; H339-T341 PolarHBondContact ND1-N 3.45Å; H339-T341 PolarHBondContact ND1-OG1 3.13Å; T341-R344 HydrophobicContact CG2-CG 3.56Å
342	R	96.9	Very high	96.5	Very high	152 Å²	152	75.6 Å²	75.6	57%	0.574	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	-36.7	-177.5	-163.6	170.8	-172.3	174.3	1.2	112.8	T322 T324 E326 G340	T322-R342 PolarHBondContact O-N 2.81Å; T324-R342 WeakPolarHBondContact OG1-CB 3.45Å; E326-R342 IonicContact OE1-NH1 3.17Å; E326-R342 IonicContact OE2-NH1 3.59Å; E326-R342 PolarHBondContact OE2-NH1 3.07Å; G340-R342 PolarHBondContact O-N 2.78Å; G340-R342 VanDerWaalsContact O-N 3.16Å
343	R	97.6	Very high	96.4	Very high	157 Å²	157	68.7 Å²	68.7	59%	0.592	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.7	178.7	-169	179.6	-178.4	-166.5	-2.4	109.9	R321 T322 I345	R321-R343 WeakPolarHBondContact CA-O 3.44Å; T322-R343 PolarHBondContact N-O 3.22Å; T322-R343 PolarHBondContact O-N 2.99Å; R343-I345 HydrophobicContact CG-CG1 4.2Å; R343-I345 VanDerWaalsContact NH2-CD1 3.31Å
344	R	96	Very high	96.3	Very high	103 Å²	103	70 Å²	70	39%	0.389	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.5	171	-57.4	-173.8	-174.6	-166	1.5	107.8	E313 A320 R321 H339 T341	E313-R344 IonicContact OE1-NH1 3.97Å; E313-R344 PolarHBondContact OE1-NH1 3.5Å; E313-R344 IonicContact OE2-NH1 2.8Å; E313-R344 PolarHBondContact OE2-NH1 3.15Å; E313-R344 VanDerWaalsContact OE2-NH1 3.13Å; A320-R344 CarbonylContact O-C 3.49Å; A320-R344 WeakPolarHBondContact O-CA 3.2Å; R321-R344 HydrophobicContact CG-CG 4.33Å; H339-R344 PolarHBondContact CE1-NH2 3.44Å; H339-R344 VanDerWaalsContact CE1-NH2 3.28Å; T341-R344 HydrophobicContact CG2-CG 3.56Å
345	I	96.5	Very high	96.2	Very high	61 Å²	61	71.1 Å²	71.1	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.5	174.1	-46.5	171	0	0	0	106.4	E319 A320 R343	E319-I345 CarbonylContact C-O 3.51Å; E319-I345 VanDerWaalsContact CA-O 3.29Å; E319-I345 WeakPolarHBondContact CA-O 3.17Å; A320-I345 HydrophobicContact CB-CB 4.22Å; A320-I345 PolarHBondContact N-O 3.08Å; A320-I345 PolarHBondContact O-N 2.96Å; R343-I345 HydrophobicContact CG-CG1 4.2Å; R343-I345 VanDerWaalsContact NH2-CD1 3.31Å
346	Q	95.1	Very high	96.1	Very high	128 Å²	128	63.7 Å²	63.7	60%	0.598	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.1	171	-176.4	177	-18.3	0	0	108.6	A317	A317-Q346 HydrophobicContact CB-CG 3.8Å
347	L	93.5	Very high	96.1	Very high	24 Å²	24	56.8 Å²	56.8	13%	0.126	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-91.2	124.6	177.1	-58.6	-179.9	0	0	0	109.8	R318 A320 E351	R318-L347 HydrophobicContact CG-CD1 4.09Å; R318-L347 PolarHBondContact O-N 3.33Å; A320-L347 HydrophobicContact CB-CD2 4.5Å; L347-E351 WeakPolarHBondContact CA-OE2 3.3Å; L347-E351 HydrophobicContact CB-CB 4.35Å; L347-E351 HydrophobicContact CD2-CB 4.18Å
348	G	93.2	Very high	96.1	Very high	37 Å²	37	51 Å²	51	38%	0.381	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-68.3	171.3	163.6	0	0	0	0	0	111.6	L350 E351 L352	G348-L350 PolarHBondContact O-N 3.24Å; G348-E351 PolarHBondContact N-OE2 2.98Å; G348-E351 PolarHBondContact O-N 2.64Å; G348-L352 PolarHBondContact O-N 2.71Å
349	H	93.7	Very high	96	Very high	94 Å²	94	53.6 Å²	53.6	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-42.2	-176.1	-169.4	56.9	0	0	0	112.3	L352 L353 F375 F432	H349-L352 WeakPolarHBondContact O-CB 3.47Å; H349-L352 PolarHBondContact O-N 2.84Å; H349-L353 WeakPolarHBondContact O-CG 3.43Å; H349-L353 PolarHBondContact O-N 2.9Å; H349-L353 VanDerWaalsContact O-N 3.08Å; H349-F375 PolarHBondContact CE1-O 3.45Å; H349-F432 HydrophobicContact CB-CZ 4.09Å; H349-F432 AromaticContact CD2-CE2 3.41Å; H349-F432 VanDerWaalsContact CD2-CE2 3.41Å; H349-F432 WeakPolarHBondContact CD2-CE2 3.23Å; H349-F432 AromaticContact CD2-CZ 3.7Å
350	L	95.4	Very high	96	Very high	34 Å²	34	52.4 Å²	52.4	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-50	175	177.6	59	0	0	0	111.7	G348 L352 L353 E354 L428 E429 F432	G348-L350 PolarHBondContact O-N 3.24Å; L350-L352 PolarHBondContact O-N 2.8Å; L350-L353 CarbonylContact O-C 3.55Å; L350-L353 WeakPolarHBondContact O-CA 3.13Å; L350-L353 WeakPolarHBondContact O-CB 3.44Å; L350-L353 PolarHBondContact O-N 3.01Å; L350-E354 HydrophobicContact CD1-CG 4.25Å; L350-E354 HydrophobicContact CG-CG 4.34Å; L350-E354 WeakPolarHBondContact O-CG 3.29Å; L350-E354 PolarHBondContact O-N 3.23Å; L350-L428 HydrophobicContact CD1-CD2 4.37Å; L350-L428 HydrophobicContact CD1-CG 4.08Å; L350-E429 HydrophobicContact CD2-CB 4.42Å; L350-E429 HydrophobicContact CD2-CG 4.03Å; L350-F432 HydrophobicContact CB-CD1 3.93Å; L350-F432 HydrophobicContact CB-CE1 3.79Å; L350-F432 HydrophobicContact CB-CG 4.41Å; L350-F432 HydrophobicContact CB-CZ 4.19Å; L350-F432 HydrophobicContact CD1-CB 4.01Å; L350-F432 HydrophobicContact CD1-CD1 4.12Å; L350-F432 HydrophobicContact CD1-CD2 4.43Å; L350-F432 HydrophobicContact CD1-CG 3.93Å; L350-F432 HydrophobicContact CD2-CD1 4.27Å; L350-F432 HydrophobicContact CG-CD1 4.33Å
351	E	95.6	Very high	96	Very high	89 Å²	89	52.3 Å²	52.3	42%	0.416	24%	0.244	S	C	.	.	H	α-helix	trans	-60.7	-33.6	-179.3	-63.2	164.8	146.7	0	0	111.9	L347 G348 E355	L347-E351 WeakPolarHBondContact CA-OE2 3.3Å; L347-E351 HydrophobicContact CB-CB 4.35Å; L347-E351 HydrophobicContact CD2-CB 4.18Å; G348-E351 PolarHBondContact N-OE2 2.98Å; G348-E351 PolarHBondContact O-N 2.64Å; E351-E355 WeakPolarHBondContact O-CB 3.47Å; E351-E355 PolarHBondContact O-N 3.43Å
352	L	94.5	Very high	95.9	Very high	30 Å²	30	54.1 Å²	54.1	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-42.7	171.4	176.5	65.1	0	0	0	111.9	G348 H349 L350 E355 V356 F375	G348-L352 PolarHBondContact O-N 2.71Å; H349-L352 WeakPolarHBondContact O-CB 3.47Å; H349-L352 PolarHBondContact O-N 2.84Å; L350-L352 PolarHBondContact O-N 2.8Å; L352-E355 WeakPolarHBondContact O-CB 3.38Å; L352-E355 PolarHBondContact O-N 3.38Å; L352-V356 WeakPolarHBondContact O-CG2 3.18Å; L352-V356 PolarHBondContact O-N 3.44Å; L352-F375 HydrophobicContact CD1-CD1 4.24Å; L352-F375 HydrophobicContact CD1-CE1 4.4Å; L352-F375 HydrophobicContact CD2-CD1 4.12Å; L352-F375 HydrophobicContact CG-CD1 4.18Å
353	L	96.6	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.3	-36.9	177.2	-63.3	-179.2	0	0	0	112.1	H349 L350 E355 V356 L357 W372 F375 L428 F432	H349-L353 WeakPolarHBondContact O-CG 3.43Å; H349-L353 PolarHBondContact O-N 2.9Å; H349-L353 VanDerWaalsContact O-N 3.08Å; L350-L353 CarbonylContact O-C 3.55Å; L350-L353 WeakPolarHBondContact O-CA 3.13Å; L350-L353 WeakPolarHBondContact O-CB 3.44Å; L350-L353 PolarHBondContact O-N 3.01Å; L353-E355 VanDerWaalsContact C-N 3.35Å; L353-V356 PolarHBondContact O-N 2.98Å; L353-L357 VanDerWaalsContact O-CB 3.27Å; L353-L357 WeakPolarHBondContact O-CB 3.21Å; L353-L357 PolarHBondContact O-N 2.86Å; L353-W372 HydrophobicContact CB-CH2 3.99Å; L353-W372 HydrophobicContact CD1-CZ2 4.41Å; L353-W372 HydrophobicContact CD2-CH2 4.19Å; L353-W372 HydrophobicContact CD2-CZ2 4.25Å; L353-W372 HydrophobicContact CG-CH2 4.49Å; L353-F375 HydrophobicContact CD2-CB 3.71Å; L353-L428 HydrophobicContact CB-CD1 4.31Å; L353-L428 HydrophobicContact CB-CD2 3.93Å; L353-L428 HydrophobicContact CD1-CD1 4.43Å; L353-F432 HydrophobicContact CD1-CD2 4.02Å; L353-F432 HydrophobicContact CD1-CE2 4.02Å
354	E	97	Very high	95.8	Very high	57 Å²	57	42.2 Å²	42.2	27%	0.266	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-43.7	171.5	-67.1	177.7	152.4	0	0	111.1	L350 L357 V358 L425 L428	L350-E354 HydrophobicContact CD1-CG 4.25Å; L350-E354 HydrophobicContact CG-CG 4.34Å; L350-E354 WeakPolarHBondContact O-CG 3.29Å; L350-E354 PolarHBondContact O-N 3.23Å; E354-L357 PolarHBondContact O-N 3.35Å; E354-V358 WeakPolarHBondContact O-CB 3.14Å; E354-V358 VanDerWaalsContact O-CG2 3.29Å; E354-V358 WeakPolarHBondContact O-CG2 2.97Å; E354-V358 PolarHBondContact O-N 2.87Å; E354-L425 HydrophobicContact CB-CD2 3.72Å; E354-L425 HydrophobicContact CG-CD2 3.68Å; E354-L428 HydrophobicContact CG-CD2 4.01Å
355	E	94.9	Very high	95.8	Very high	26 Å²	26	43.7 Å²	43.7	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-49.6	174.6	-175.8	175.4	113.2	0	0	110.9	R307 R318 E351 L352 L353 L357 V358 M359	R307-E355 VanDerWaalsContact CD-OE2 3.26Å; R307-E355 WeakPolarHBondContact CD-OE2 3.29Å; R307-E355 IonicContact NE-OE2 3.84Å; R307-E355 PolarHBondContact NE-OE2 3Å; R318-E355 IonicContact NH1-OE1 3.25Å; R318-E355 PolarHBondContact NH1-OE1 3Å; E351-E355 WeakPolarHBondContact O-CB 3.47Å; E351-E355 PolarHBondContact O-N 3.43Å; L352-E355 WeakPolarHBondContact O-CB 3.38Å; L352-E355 PolarHBondContact O-N 3.38Å; L353-E355 VanDerWaalsContact C-N 3.35Å; E355-L357 VanDerWaalsContact C-N 3.32Å; E355-L357 PolarHBondContact O-N 3.5Å; E355-V358 PolarHBondContact O-N 2.8Å; E355-M359 HydrophobicContact CG-CG 4.21Å; E355-M359 WeakPolarHBondContact O-CB 3.36Å; E355-M359 WeakPolarHBondContact O-CG 3.28Å; E355-M359 PolarHBondContact O-N 2.91Å
356	V	96.1	Very high	95.8	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-40.8	178.3	172.8	0	0	0	0	111.5	L352 L353 G360 I367 W372 F375	L352-V356 WeakPolarHBondContact O-CG2 3.18Å; L352-V356 PolarHBondContact O-N 3.44Å; L353-V356 PolarHBondContact O-N 2.98Å; V356-G360 WeakPolarHBondContact O-CA 3.41Å; V356-G360 PolarHBondContact O-N 2.91Å; V356-I367 WeakPolarHBondContact O-CD1 3.4Å; V356-W372 HydrophobicContact CG1-CE3 4.07Å; V356-W372 HydrophobicContact CG1-CZ3 4.21Å; V356-F375 HydrophobicContact CB-CD2 4.45Å; V356-F375 HydrophobicContact CG1-CD2 3.93Å; V356-F375 HydrophobicContact CG1-CE2 4.17Å; V356-F375 HydrophobicContact CG2-CB 4.32Å; V356-F375 HydrophobicContact CG2-CD1 3.73Å; V356-F375 HydrophobicContact CG2-CD2 3.7Å; V356-F375 HydrophobicContact CG2-CE1 3.82Å; V356-F375 HydrophobicContact CG2-CE2 3.79Å; V356-F375 HydrophobicContact CG2-CG 3.66Å; V356-F375 HydrophobicContact CG2-CZ 3.85Å
357	L	97.9	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-54.7	178.2	-176.8	64	0	0	0	111.4	L353 E354 E355 M359 M361 I367 W372 F385 L407 L424 L425 L428	L353-L357 VanDerWaalsContact O-CB 3.27Å; L353-L357 WeakPolarHBondContact O-CB 3.21Å; L353-L357 PolarHBondContact O-N 2.86Å; E354-L357 PolarHBondContact O-N 3.35Å; E355-L357 VanDerWaalsContact C-N 3.32Å; E355-L357 PolarHBondContact O-N 3.5Å; L357-M359 VanDerWaalsContact C-N 3.34Å; L357-M359 PolarHBondContact O-N 2.87Å; L357-M361 HydrophobicContact CD1-CG 4.02Å; L357-M361 WeakPolarHBondContact O-CB 3.4Å; L357-M361 WeakPolarHBondContact O-CG 3.41Å; L357-M361 PolarHBondContact O-N 3.06Å; L357-M361 VanDerWaalsContact O-N 3.09Å; L357-I367 HydrophobicContact CD1-CD1 3.91Å; L357-W372 HydrophobicContact CB-CZ3 4.33Å; L357-F385 HydrophobicContact CD1-CE2 4.17Å; L357-F385 HydrophobicContact CD1-CZ 3.9Å; L357-F385 HydrophobicContact CD2-CZ 3.98Å; L357-L407 HydrophobicContact CD1-CD2 4.02Å; L357-L424 HydrophobicContact CD2-CB 3.98Å; L357-L425 HydrophobicContact CD2-CD2 4.2Å; L357-L428 HydrophobicContact CB-CD2 4.44Å; L357-L428 HydrophobicContact CD2-CB 4.24Å; L357-L428 HydrophobicContact CD2-CD2 3.93Å
358	V	97	Very high	96.2	Very high	32 Å²	32	36.2 Å²	36.2	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-41.2	-176.7	170.1	0	0	0	0	111.6	E354 E355 L421 L425	E354-V358 WeakPolarHBondContact O-CB 3.14Å; E354-V358 VanDerWaalsContact O-CG2 3.29Å; E354-V358 WeakPolarHBondContact O-CG2 2.97Å; E354-V358 PolarHBondContact O-N 2.87Å; E355-V358 PolarHBondContact O-N 2.8Å; V358-L421 HydrophobicContact CG1-CD1 4.22Å; V358-L421 HydrophobicContact CG2-CD2 4.3Å; V358-L425 HydrophobicContact CG2-CD1 3.99Å; V358-L425 HydrophobicContact CG2-CD2 3.94Å; V358-L425 HydrophobicContact CG2-CG 4.27Å
359	M	95.8	Very high	96.4	Very high	58 Å²	58	36.6 Å²	36.6	29%	0.286	19%	0.185	S	C	.	.	H	α-helix	trans	-75.4	-44.4	-178.5	-63.7	-60.6	168.9	0	0	111.4	W292 E355 L357 M361 R362	W292-M359 HydrophobicContact CE3-CB 4.1Å; W292-M359 HydrophobicContact CE3-SD 3.78Å; W292-M359 HydrophobicContact CZ3-SD 3.52Å; W292-M359 VanDerWaalsContact CZ3-SD 3.52Å; W292-M359 CarbonylContact O-C 3.59Å; E355-M359 HydrophobicContact CG-CG 4.21Å; E355-M359 WeakPolarHBondContact O-CB 3.36Å; E355-M359 WeakPolarHBondContact O-CG 3.28Å; E355-M359 PolarHBondContact O-N 2.91Å; L357-M359 VanDerWaalsContact C-N 3.34Å; L357-M359 PolarHBondContact O-N 2.87Å; M359-M361 PolarHBondContact O-N 3.4Å; M359-R362 WeakPolarHBondContact O-CB 3.43Å; M359-R362 PolarHBondContact O-N 3.44Å
360	G	97.1	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-34.6	-176.2	0	0	0	0	0	113.6	W292 V356 R362 M363 G366	W292-G360 VanDerWaalsContact O-CA 3.25Å; W292-G360 WeakPolarHBondContact O-CA 3.37Å; W292-G360 PolarHBondContact O-N 2.98Å; V356-G360 WeakPolarHBondContact O-CA 3.41Å; V356-G360 PolarHBondContact O-N 2.91Å; G360-R362 PolarHBondContact O-N 2.78Å; G360-R362 VanDerWaalsContact O-N 3.14Å; G360-M363 PolarHBondContact O-N 3.25Å; G360-M363 VanDerWaalsContact O-N 3.09Å; G360-G366 CarbonylContact O-C 3.48Å; G360-G366 WeakPolarHBondContact O-CA 3.4Å
361	M	97.8	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13	177	-70.4	-59.2	-64.7	0	0	113.9	L357 M359 M363 I367 L400 L407 C409 L417 L421 L424	L357-M361 HydrophobicContact CD1-CG 4.02Å; L357-M361 WeakPolarHBondContact O-CB 3.4Å; L357-M361 WeakPolarHBondContact O-CG 3.41Å; L357-M361 PolarHBondContact O-N 3.06Å; L357-M361 VanDerWaalsContact O-N 3.09Å; M359-M361 PolarHBondContact O-N 3.4Å; M361-M363 VanDerWaalsContact C-N 3.27Å; M361-I367 HydrophobicContact CG-CD1 4.12Å; M361-I367 HydrophobicContact SD-CD1 4.32Å; M361-L400 HydrophobicContact CE-CD1 3.42Å; M361-L400 VanDerWaalsContact CE-CD1 3.42Å; M361-L407 HydrophobicContact CE-CD2 4.32Å; M361-L407 HydrophobicContact CE-CG 4.14Å; M361-L407 HydrophobicContact SD-CB 4.39Å; M361-L407 HydrophobicContact SD-CD2 3.65Å; M361-L407 HydrophobicContact SD-CG 3.69Å; M361-C409 VanDerWaalsContact CE-SG 3.58Å; M361-L417 HydrophobicContact CB-CD1 3.77Å; M361-L417 HydrophobicContact CB-CD2 4.42Å; M361-L417 WeakPolarHBondContact O-CD2 3.48Å; M361-L421 HydrophobicContact CB-CD2 4.14Å; M361-L421 HydrophobicContact CG-CD2 4.44Å; M361-L424 HydrophobicContact CE-CD1 4.08Å; M361-L424 HydrophobicContact CG-CD1 4.46Å
362	R	96.5	Very high	96.5	Very high	54 Å²	54	35.6 Å²	35.6	20%	0.204	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.2	174	-68.8	176.9	177.1	-69	-9.6	113.5	E274 V275 W292 M359 G360 L417 D418	E274-R362 CarbonylContact C-O 3.58Å; E274-R362 WeakPolarHBondContact CA-O 3.38Å; E274-R362 WeakPolarHBondContact CB-O 3.07Å; V275-R362 HydrophobicContact CG1-CB 3.78Å; V275-R362 HydrophobicContact CG1-CG 3.94Å; V275-R362 WeakPolarHBondContact CG1-O 3.48Å; V275-R362 HydrophobicContact CG2-CB 4.25Å; V275-R362 PolarHBondContact N-O 2.73Å; W292-R362 HydrophobicContact CD2-CB 4.34Å; W292-R362 HydrophobicContact CE3-CB 4.06Å; W292-R362 HydrophobicContact CH2-CB 4.45Å; W292-R362 VanDerWaalsContact CH2-CD 3.46Å; W292-R362 HydrophobicContact CZ3-CB 4.15Å; W292-R362 HydrophobicContact CZ3-CG 4.24Å; M359-R362 WeakPolarHBondContact O-CB 3.43Å; M359-R362 PolarHBondContact O-N 3.44Å; G360-R362 PolarHBondContact O-N 2.78Å; G360-R362 VanDerWaalsContact O-N 3.14Å; R362-L417 HydrophobicContact CB-CD2 4.28Å; R362-L417 HydrophobicContact CG-CD2 3.55Å; R362-D418 IonicContact CZ-OD1 2.69Å; R362-D418 IonicContact NH1-OD1 3.39Å; R362-D418 IonicContact NH2-OD1 2.9Å; R362-D418 PolarHBondContact NH2-OD1 2.79Å
363	M	96.6	Very high	96.6	Very high	15 Å²	15	39.7 Å²	39.7	7%	0.074	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-91.2	147.6	174.1	-59.4	-173.5	-72.7	0	0	111	Y273 E274 L289 W292 T293 G360 M361 M365 G366	Y273-M363 WeakPolarHBondContact O-CA 3.35Å; E274-M363 HydrophobicContact CB-CG 4.41Å; L289-M363 HydrophobicContact CD2-SD 4.19Å; W292-M363 HydrophobicContact CB-CE 4.27Å; W292-M363 HydrophobicContact CB-CG 3.6Å; W292-M363 HydrophobicContact CB-SD 3.6Å; W292-M363 HydrophobicContact CG-CG 4.14Å; T293-M363 HydrophobicContact CG2-CE 3.74Å; T293-M363 HydrophobicContact CG2-SD 3.94Å; G360-M363 PolarHBondContact O-N 3.25Å; G360-M363 VanDerWaalsContact O-N 3.09Å; M361-M363 VanDerWaalsContact C-N 3.27Å; M363-M365 PolarHBondContact O-N 3.17Å; M363-G366 WeakPolarHBondContact CE-O 3.18Å; M363-G366 PolarHBondContact O-N 3.19Å
364	T	95.6	Very high	96.4	Very high	43 Å²	43	43.1 Å²	43.1	26%	0.264	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.5	173.2	51.8	0	0	0	0	112.3	Q272 Y273 G366 L414	Q272-T364 HydrophobicContact CB-CG2 4.09Å; Q272-T364 HydrophobicContact CG-CG2 3.99Å; Q272-T364 WeakPolarHBondContact O-CG2 2.95Å; Q272-T364 PolarHBondContact O-OG1 3.1Å; Y273-T364 WeakPolarHBondContact CA-OG1 3.35Å; Y273-T364 PolarHBondContact O-N 2.8Å; Y273-T364 PolarHBondContact O-OG1 2.87Å; T364-G366 VanDerWaalsContact C-N 3.25Å; T364-G366 PolarHBondContact O-N 3.18Å; T364-L414 HydrophobicContact CG2-CD2 3.82Å
365	M	95.2	Very high	96.3	Very high	135 Å²	135	41 Å²	41	67%	0.665	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.3	171.3	-71.1	-66.5	-69.5	0	0	113.3	M363	M363-M365 PolarHBondContact O-N 3.17Å
366	G	97.1	Very high	96.3	Very high	5 Å²	5	40 Å²	40	5%	0.052	20%	0.199	C	C	.	.			trans	56.3	-142.1	-173	0	0	0	0	0	113.2	G360 M363 T364 L407	G360-G366 CarbonylContact O-C 3.48Å; G360-G366 WeakPolarHBondContact O-CA 3.4Å; M363-G366 WeakPolarHBondContact CE-O 3.18Å; M363-G366 PolarHBondContact O-N 3.19Å; T364-G366 VanDerWaalsContact C-N 3.25Å; T364-G366 PolarHBondContact O-N 3.18Å; G366-L407 CarbonylContact C-O 3.55Å; G366-L407 WeakPolarHBondContact CA-O 3.33Å
367	I	98.1	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112	-177.3	-56.3	168	0	0	0	108.4	V356 L357 M361 W372 L381 G406 L407	V356-I367 WeakPolarHBondContact O-CD1 3.4Å; L357-I367 HydrophobicContact CD1-CD1 3.91Å; M361-I367 HydrophobicContact CG-CD1 4.12Å; M361-I367 HydrophobicContact SD-CD1 4.32Å; I367-W372 HydrophobicContact CG2-CB 3.92Å; I367-W372 HydrophobicContact CG2-CE3 4.06Å; I367-L381 HydrophobicContact CG2-CD1 4.19Å; I367-G406 CarbonylContact O-C 3.54Å; I367-G406 WeakPolarHBondContact O-CA 3.27Å; I367-L407 PolarHBondContact N-O 3.48Å; I367-L407 PolarHBondContact O-N 2.82Å
368	S	97.9	Very high	95.8	Very high	51 Å²	51	50.5 Å²	50.5	36%	0.357	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	151.5	172.9	70.5	0	0	0	0	112	K370 H371 W372 R405	S368-K370 VanDerWaalsContact C-N 3.25Å; S368-K370 PolarHBondContact O-N 2.83Å; S368-H371 PolarHBondContact O-N 2.6Å; S368-H371 VanDerWaalsContact OG-CB 3.26Å; S368-H371 WeakPolarHBondContact OG-CB 3.34Å; S368-H371 PolarHBondContact OG-N 3.3Å; S368-H371 VanDerWaalsContact OG-N 3.1Å; S368-W372 PolarHBondContact O-N 3.1Å; S368-R405 CarbonylContact C-O 3.6Å; S368-R405 WeakPolarHBondContact CA-O 3.47Å; S368-R405 WeakPolarHBondContact CB-O 3.46Å
369	H	97.4	Very high	95.6	Very high	45 Å²	45	49.6 Å²	49.6	21%	0.208	25%	0.25	C	C	.	.	H	α-helix	trans	-54.3	-44.4	174.5	-69.9	-60.6	0	0	0	111.8	H371 W372 E373 D403 D404 R405	H369-H371 VanDerWaalsContact C-N 3.3Å; H369-H371 PolarHBondContact O-N 2.79Å; H369-W372 PolarHBondContact O-N 3.06Å; H369-E373 WeakPolarHBondContact O-CB 3.39Å; H369-E373 PolarHBondContact O-N 2.98Å; H369-D403 PolarHBondContact NE2-O 3.38Å; H369-D404 PolarHBondContact CD2-O 2.93Å; H369-R405 PolarHBondContact N-O 3.14Å; H369-R405 VanDerWaalsContact N-O 3.13Å
370	K	95.8	Very high	95.7	Very high	163 Å²	163	48.8 Å²	48.8	71%	0.709	25%	0.25	S	C	*	.	H	α-helix	trans	-60.5	-37.5	177	-177	178.3	179.5	179.4	0	112.7	S368	S368-K370 VanDerWaalsContact C-N 3.25Å; S368-K370 PolarHBondContact O-N 2.83Å
371	H	95.4	Very high	95.7	Very high	29 Å²	29	48.8 Å²	48.8	13%	0.134	25%	0.25	C	C	.	.	H	α-helix	trans	-73.1	-41.8	178.2	-175.2	60.3	0	0	0	111.4	T293 S368 H369 E373 L374 F375	T293-H371 PolarHBondContact O-CE1 3.04Å; T293-H371 PolarHBondContact O-NE2 3.37Å; T293-H371 VanDerWaalsContact O-NE2 3.1Å; S368-H371 PolarHBondContact O-N 2.6Å; S368-H371 VanDerWaalsContact OG-CB 3.26Å; S368-H371 WeakPolarHBondContact OG-CB 3.34Å; S368-H371 PolarHBondContact OG-N 3.3Å; S368-H371 VanDerWaalsContact OG-N 3.1Å; H369-H371 VanDerWaalsContact C-N 3.3Å; H369-H371 PolarHBondContact O-N 2.79Å; H371-E373 VanDerWaalsContact C-N 3.33Å; H371-E373 PolarHBondContact O-N 3.03Å; H371-L374 WeakPolarHBondContact O-CB 3.45Å; H371-L374 PolarHBondContact O-N 3.18Å; H371-F375 AromaticContact CE1-CE2 3.61Å; H371-F375 AromaticContact NE2-CE2 3.74Å; H371-F375 WeakPolarHBondContact O-CD2 3.34Å
372	W	96.9	Very high	95.7	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-43	175.8	-178.3	-98.6	0	0	0	112.2	L353 V356 L357 I367 S368 H369 L374 F375 S376 L379 L381 I384 L428	L353-W372 HydrophobicContact CB-CH2 3.99Å; L353-W372 HydrophobicContact CD1-CZ2 4.41Å; L353-W372 HydrophobicContact CD2-CH2 4.19Å; L353-W372 HydrophobicContact CD2-CZ2 4.25Å; L353-W372 HydrophobicContact CG-CH2 4.49Å; V356-W372 HydrophobicContact CG1-CE3 4.07Å; V356-W372 HydrophobicContact CG1-CZ3 4.21Å; L357-W372 HydrophobicContact CB-CZ3 4.33Å; I367-W372 HydrophobicContact CG2-CB 3.92Å; I367-W372 HydrophobicContact CG2-CE3 4.06Å; S368-W372 PolarHBondContact O-N 3.1Å; H369-W372 PolarHBondContact O-N 3.06Å; W372-L374 PolarHBondContact O-N 2.92Å; W372-L374 VanDerWaalsContact O-N 3.15Å; W372-F375 CarbonylContact O-C 3.56Å; W372-F375 PolarHBondContact O-N 2.92Å; W372-S376 PolarHBondContact O-N 2.91Å; W372-L379 PolarHBondContact NE1-O 3.36Å; W372-L381 HydrophobicContact CB-CD1 4.01Å; W372-L381 HydrophobicContact CB-CD2 4.4Å; W372-L381 HydrophobicContact CB-CG 3.98Å; W372-L381 HydrophobicContact CD2-CD2 3.53Å; W372-L381 HydrophobicContact CD2-CG 3.95Å; W372-L381 HydrophobicContact CE3-CD2 3.77Å; W372-L381 HydrophobicContact CG-CD1 4.24Å; W372-L381 HydrophobicContact CG-CD2 3.83Å; W372-L381 HydrophobicContact CG-CG 3.66Å; W372-L381 HydrophobicContact CZ2-CD2 4.41Å; W372-L381 HydrophobicContact CZ3-CD2 4.28Å; W372-I384 HydrophobicContact CH2-CD1 4.31Å; W372-I384 HydrophobicContact CZ2-CD1 3.37Å; W372-L428 HydrophobicContact CH2-CD1 3.81Å; W372-L428 HydrophobicContact CH2-CD2 4.31Å; W372-L428 HydrophobicContact CZ2-CD1 3.93Å
373	E	95.8	Very high	95.6	Very high	116 Å²	116	56.7 Å²	56.7	54%	0.542	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-27.2	179	-169.4	179.8	-167.2	0	0	113.2	H369 H371 F375	H369-E373 WeakPolarHBondContact O-CB 3.39Å; H369-E373 PolarHBondContact O-N 2.98Å; H371-E373 VanDerWaalsContact C-N 3.33Å; H371-E373 PolarHBondContact O-N 3.03Å; E373-F375 PolarHBondContact O-N 3.03Å
374	L	93.2	Very high	95.7	Very high	72 Å²	72	56.1 Å²	56.1	38%	0.377	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.4	173.9	-58	174.8	0	0	0	112.8	P34 L36 H371 W372	P34-L374 HydrophobicContact CB-CD2 4.04Å; P34-L374 HydrophobicContact CG-CB 4.36Å; P34-L374 HydrophobicContact CG-CD2 4.49Å; L36-L374 HydrophobicContact CD1-CB 3.94Å; L36-L374 HydrophobicContact CD1-CD1 4.11Å; H371-L374 WeakPolarHBondContact O-CB 3.45Å; H371-L374 PolarHBondContact O-N 3.18Å; W372-L374 PolarHBondContact O-N 2.92Å; W372-L374 VanDerWaalsContact O-N 3.15Å
375	F	93.3	Very high	95.7	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.057	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-30.2	-178.7	-58.4	-84.6	0	0	0	112.6	L36 H349 L352 L353 V356 H371 W372 E373	L36-F375 HydrophobicContact CD1-CE1 4.08Å; L36-F375 HydrophobicContact CD1-CE2 4.36Å; L36-F375 HydrophobicContact CD1-CZ 3.86Å; H349-F375 PolarHBondContact CE1-O 3.45Å; L352-F375 HydrophobicContact CD1-CD1 4.24Å; L352-F375 HydrophobicContact CD1-CE1 4.4Å; L352-F375 HydrophobicContact CD2-CD1 4.12Å; L352-F375 HydrophobicContact CG-CD1 4.18Å; L353-F375 HydrophobicContact CD2-CB 3.71Å; V356-F375 HydrophobicContact CB-CD2 4.45Å; V356-F375 HydrophobicContact CG1-CD2 3.93Å; V356-F375 HydrophobicContact CG1-CE2 4.17Å; V356-F375 HydrophobicContact CG2-CB 4.32Å; V356-F375 HydrophobicContact CG2-CD1 3.73Å; V356-F375 HydrophobicContact CG2-CD2 3.7Å; V356-F375 HydrophobicContact CG2-CE1 3.82Å; V356-F375 HydrophobicContact CG2-CE2 3.79Å; V356-F375 HydrophobicContact CG2-CG 3.66Å; V356-F375 HydrophobicContact CG2-CZ 3.85Å; H371-F375 AromaticContact CE1-CE2 3.61Å; H371-F375 AromaticContact NE2-CE2 3.74Å; H371-F375 WeakPolarHBondContact O-CD2 3.34Å; W372-F375 CarbonylContact O-C 3.56Å; W372-F375 PolarHBondContact O-N 2.92Å; E373-F375 PolarHBondContact O-N 3.03Å
376	S	95.1	Very high	95.6	Very high	5 Å²	5	49 Å²	49	4%	0.035	26%	0.258	C	S	.	.			trans	-135.4	76.3	-179.6	-178.8	0	0	0	0	110.4	W372 E378 L379	W372-S376 PolarHBondContact O-N 2.91Å; S376-E378 PolarHBondContact O-N 3.44Å; S376-L379 WeakPolarHBondContact OG-CB 3.41Å; S376-L379 PolarHBondContact OG-O 3.4Å
377	P	92.4	Very high	95.3	Very high	90 Å²	90	52.1 Å²	52.1	58%	0.584	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.6	-176.3	25.4	-33.5	0	0	0	113.3
378	E	90.9	Very high	95.2	Very high	132 Å²	132	52.5 Å²	52.5	62%	0.617	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	0.1	-171.7	-60.2	174.4	-174.6	0	0	113.3	S376 K435	S376-E378 PolarHBondContact O-N 3.44Å; E378-K435 WeakPolarHBondContact O-CE 3.41Å; E378-K435 PolarHBondContact O-NZ 2.83Å; E378-K435 IonicContact OE2-NZ 2.85Å; E378-K435 PolarHBondContact OE2-NZ 3.26Å
379	L	94.7	Very high	95	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.068	31%	0.312	C	S	.	.	S	Bend	trans	-142.3	106.6	178	-179.4	70	0	0	0	108.3	W372 S376 E383 I384 K435	W372-L379 PolarHBondContact NE1-O 3.36Å; S376-L379 WeakPolarHBondContact OG-CB 3.41Å; S376-L379 PolarHBondContact OG-O 3.4Å; L379-E383 HydrophobicContact CD1-CB 4.08Å; L379-I384 HydrophobicContact CD1-CG1 4.07Å; L379-I384 HydrophobicContact CD2-CD1 3.88Å; L379-I384 HydrophobicContact CD2-CG1 3.69Å; L379-I384 HydrophobicContact CG-CD1 3.84Å; L379-I384 HydrophobicContact CG-CG1 3.6Å; L379-K435 HydrophobicContact CB-CD 3.98Å; L379-K435 HydrophobicContact CD1-CD 4.07Å; L379-K435 HydrophobicContact CG-CD 4.42Å
380	S	96.9	Very high	94.8	Very high	41 Å²	41	57.7 Å²	57.7	29%	0.287	32%	0.32	S	S	.	.			trans	-81.7	158.8	-173.8	68.7	0	0	0	0	112.9	L382 E383 I384	S380-L382 PolarHBondContact O-N 2.78Å; S380-E383 VanDerWaalsContact CB-OE2 3.32Å; S380-E383 WeakPolarHBondContact CB-OE2 3.5Å; S380-E383 PolarHBondContact N-OE2 3.23Å; S380-E383 PolarHBondContact O-N 2.71Å; S380-E383 VanDerWaalsContact OG-CD 3.28Å; S380-E383 VanDerWaalsContact OG-CG 3.25Å; S380-E383 WeakPolarHBondContact OG-CG 3.39Å; S380-E383 PolarHBondContact OG-N 3.14Å; S380-E383 PolarHBondContact OG-OE2 3.12Å; S380-I384 WeakPolarHBondContact O-CD1 3.29Å; S380-I384 VanDerWaalsContact O-CG1 3.3Å; S380-I384 WeakPolarHBondContact O-CG1 3.18Å; S380-I384 PolarHBondContact O-N 3.14Å; S380-I384 VanDerWaalsContact O-N 3.08Å
381	L	97.8	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-34.7	173.9	-68.4	171.2	0	0	0	112.2	I367 W372 I384 F385 L402 L407	I367-L381 HydrophobicContact CG2-CD1 4.19Å; W372-L381 HydrophobicContact CB-CD1 4.01Å; W372-L381 HydrophobicContact CB-CD2 4.4Å; W372-L381 HydrophobicContact CB-CG 3.98Å; W372-L381 HydrophobicContact CD2-CD2 3.53Å; W372-L381 HydrophobicContact CD2-CG 3.95Å; W372-L381 HydrophobicContact CE3-CD2 3.77Å; W372-L381 HydrophobicContact CG-CD1 4.24Å; W372-L381 HydrophobicContact CG-CD2 3.83Å; W372-L381 HydrophobicContact CG-CG 3.66Å; W372-L381 HydrophobicContact CZ2-CD2 4.41Å; W372-L381 HydrophobicContact CZ3-CD2 4.28Å; L381-I384 PolarHBondContact O-N 3.44Å; L381-F385 HydrophobicContact CB-CD2 4.38Å; L381-F385 HydrophobicContact CD2-CD2 4.01Å; L381-F385 HydrophobicContact CD2-CE2 3.69Å; L381-F385 WeakPolarHBondContact O-CB 3.33Å; L381-F385 WeakPolarHBondContact O-CD2 3.4Å; L381-F385 PolarHBondContact O-N 3.38Å; L381-L402 HydrophobicContact CB-CD1 4.3Å; L381-L407 HydrophobicContact CD1-CB 4.02Å; L381-L407 HydrophobicContact CD2-CB 4.39Å
382	L	96.8	Very high	94.9	Very high	95 Å²	95	51.7 Å²	51.7	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-69.1	-40.4	178.3	-74.8	169.6	0	0	0	112.1	S380 I384 G386 L402	S380-L382 PolarHBondContact O-N 2.78Å; L382-I384 VanDerWaalsContact C-N 3.33Å; L382-G386 VanDerWaalsContact O-CA 3.22Å; L382-G386 WeakPolarHBondContact O-CA 3.24Å; L382-G386 PolarHBondContact O-N 3.09Å; L382-L402 HydrophobicContact CD2-CD1 4.25Å; L382-L402 HydrophobicContact CD2-CD2 4Å; L382-L402 HydrophobicContact CD2-CG 3.93Å
383	E	95.8	Very high	94.8	Very high	125 Å²	125	56.1 Å²	56.1	58%	0.584	32%	0.315	S	S	*	.	H	α-helix	trans	-66	-38.3	175.9	-72.2	162.7	134.9	0	0	111.6	L379 S380	L379-E383 HydrophobicContact CD1-CB 4.08Å; S380-E383 VanDerWaalsContact CB-OE2 3.32Å; S380-E383 WeakPolarHBondContact CB-OE2 3.5Å; S380-E383 PolarHBondContact N-OE2 3.23Å; S380-E383 PolarHBondContact O-N 2.71Å; S380-E383 VanDerWaalsContact OG-CD 3.28Å; S380-E383 VanDerWaalsContact OG-CG 3.25Å; S380-E383 WeakPolarHBondContact OG-CG 3.39Å; S380-E383 PolarHBondContact OG-N 3.14Å; S380-E383 PolarHBondContact OG-OE2 3.12Å
384	I	96.7	Very high	94.9	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-50.7	179.6	-61.3	160	0	0	0	110.9	W372 L379 S380 L381 L382 L428	W372-I384 HydrophobicContact CH2-CD1 4.31Å; W372-I384 HydrophobicContact CZ2-CD1 3.37Å; L379-I384 HydrophobicContact CD1-CG1 4.07Å; L379-I384 HydrophobicContact CD2-CD1 3.88Å; L379-I384 HydrophobicContact CD2-CG1 3.69Å; L379-I384 HydrophobicContact CG-CD1 3.84Å; L379-I384 HydrophobicContact CG-CG1 3.6Å; S380-I384 WeakPolarHBondContact O-CD1 3.29Å; S380-I384 VanDerWaalsContact O-CG1 3.3Å; S380-I384 WeakPolarHBondContact O-CG1 3.18Å; S380-I384 PolarHBondContact O-N 3.14Å; S380-I384 VanDerWaalsContact O-N 3.08Å; L381-I384 PolarHBondContact O-N 3.44Å; L382-I384 VanDerWaalsContact C-N 3.33Å; I384-L428 HydrophobicContact CD1-CD1 3.84Å; I384-L428 HydrophobicContact CG2-CB 4.4Å; I384-L428 HydrophobicContact CG2-CD1 4.48Å
385	F	97.4	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-107.6	-24.5	-163.8	-62.2	-58.3	0	0	0	113.9	L357 L381 G387 S388 V391 L402 L407 L424 E427	L357-F385 HydrophobicContact CD1-CE2 4.17Å; L357-F385 HydrophobicContact CD1-CZ 3.9Å; L357-F385 HydrophobicContact CD2-CZ 3.98Å; L381-F385 HydrophobicContact CB-CD2 4.38Å; L381-F385 HydrophobicContact CD2-CD2 4.01Å; L381-F385 HydrophobicContact CD2-CE2 3.69Å; L381-F385 WeakPolarHBondContact O-CB 3.33Å; L381-F385 WeakPolarHBondContact O-CD2 3.4Å; L381-F385 PolarHBondContact O-N 3.38Å; F385-G387 VanDerWaalsContact C-N 3.31Å; F385-G387 PolarHBondContact O-N 2.98Å; F385-S388 PolarHBondContact O-N 2.82Å; F385-V391 HydrophobicContact CB-CG1 4.1Å; F385-V391 HydrophobicContact CB-CG2 4.46Å; F385-V391 HydrophobicContact CD1-CG2 4.05Å; F385-V391 WeakPolarHBondContact O-CG1 3.45Å; F385-L402 HydrophobicContact CB-CD2 3.93Å; F385-L407 HydrophobicContact CD2-CD2 3.82Å; F385-L407 HydrophobicContact CE2-CD2 3.67Å; F385-L407 HydrophobicContact CZ-CD2 4.27Å; F385-L424 HydrophobicContact CD1-CD2 4.13Å; F385-L424 HydrophobicContact CE1-CB 4.06Å; F385-L424 HydrophobicContact CE1-CD2 4.01Å; F385-L424 WeakPolarHBondContact CE1-O 3.47Å; F385-L424 HydrophobicContact CZ-CB 4.44Å; F385-E427 HydrophobicContact CD1-CB 4.25Å; F385-E427 HydrophobicContact CE1-CB 4.2Å
386	G	92.8	Very high	95.2	Very high	27 Å²	27	56.9 Å²	56.9	28%	0.278	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.8	-173.8	0	0	0	0	0	113.8	L382 Q392	L382-G386 VanDerWaalsContact O-CA 3.22Å; L382-G386 WeakPolarHBondContact O-CA 3.24Å; L382-G386 PolarHBondContact O-N 3.09Å; G386-Q392 PolarHBondContact O-NE2 2.8Å
387	G	90.4	Very high	95.3	Very high	71 Å²	71	64.7 Å²	64.7	73%	0.732	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-8.8	179.6	0	0	0	0	0	115.7	F385 L389	F385-G387 VanDerWaalsContact C-N 3.31Å; F385-G387 PolarHBondContact O-N 2.98Å; G387-L389 PolarHBondContact O-N 2.72Å
388	S	94.9	Very high	95.5	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.063	34%	0.337	C	S	.	.			trans	-77.2	122.5	-175.9	168.1	0	0	0	0	111.3	F385 V390 V391 Q392 E427	F385-S388 PolarHBondContact O-N 2.82Å; S388-V390 VanDerWaalsContact C-N 3.28Å; S388-V390 PolarHBondContact O-N 3.46Å; S388-V390 PolarHBondContact OG-N 3.2Å; S388-V391 PolarHBondContact O-N 2.93Å; S388-V391 PolarHBondContact OG-N 3.5Å; S388-Q392 VanDerWaalsContact O-CG 3.3Å; S388-Q392 WeakPolarHBondContact O-CG 3.45Å; S388-Q392 PolarHBondContact O-N 3.34Å; S388-E427 WeakPolarHBondContact CB-OE1 3.43Å; S388-E427 PolarHBondContact OG-OE1 3.45Å
389	L	94.6	Very high	95.8	Very high	143 Å²	143	57.7 Å²	57.7	75%	0.749	32%	0.316	S	S	*	.	H	α-helix	trans	-57.4	-40.9	176.3	-69.3	173.6	0	0	0	112	G387 Q392 E393	G387-L389 PolarHBondContact O-N 2.72Å; L389-Q392 WeakPolarHBondContact O-CB 3.43Å; L389-Q392 PolarHBondContact O-N 2.99Å; L389-E393 PolarHBondContact O-N 3.24Å; L389-E393 VanDerWaalsContact O-N 3.09Å
390	V	93.9	Very high	95.9	Very high	62 Å²	62	57.2 Å²	57.2	38%	0.376	31%	0.314	S	S	.	.	H	α-helix	trans	-68.3	-39.1	-178.8	-168.3	0	0	0	0	110.6	S388 E393 L394 V423	S388-V390 VanDerWaalsContact C-N 3.28Å; S388-V390 PolarHBondContact O-N 3.46Å; S388-V390 PolarHBondContact OG-N 3.2Å; V390-E393 WeakPolarHBondContact O-CB 3.5Å; V390-E393 PolarHBondContact O-N 2.7Å; V390-L394 PolarHBondContact O-N 3.22Å; V390-V423 HydrophobicContact CB-CG1 3.95Å; V390-V423 HydrophobicContact CG1-CG1 3.44Å; V390-V423 VanDerWaalsContact CG1-CG1 3.44Å; V390-V423 HydrophobicContact CG1-CG2 4.3Å
391	V	95.7	Very high	96	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-41.9	173.7	176.3	0	0	0	0	110.9	F385 S388 E393 L394 L395 L400 L424 E427	F385-V391 HydrophobicContact CB-CG1 4.1Å; F385-V391 HydrophobicContact CB-CG2 4.46Å; F385-V391 HydrophobicContact CD1-CG2 4.05Å; F385-V391 WeakPolarHBondContact O-CG1 3.45Å; S388-V391 PolarHBondContact O-N 2.93Å; S388-V391 PolarHBondContact OG-N 3.5Å; V391-E393 PolarHBondContact O-N 3.09Å; V391-L394 WeakPolarHBondContact O-CB 3.33Å; V391-L394 PolarHBondContact O-N 3.16Å; V391-L395 HydrophobicContact CG1-CD1 4.15Å; V391-L395 HydrophobicContact CG1-CG 4.23Å; V391-L395 WeakPolarHBondContact O-CG 3.29Å; V391-L395 PolarHBondContact O-N 3.34Å; V391-L400 HydrophobicContact CG1-CD2 3.8Å; V391-L424 HydrophobicContact CG2-CD2 4.07Å; V391-E427 HydrophobicContact CG2-CG 4.35Å
392	Q	96.3	Very high	96	Very high	66 Å²	66	59.2 Å²	59.2	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-35.3	177.2	-70.6	-60.9	-31.5	0	0	112.1	G386 S388 L389 L395 Q396	G386-Q392 PolarHBondContact O-NE2 2.8Å; S388-Q392 VanDerWaalsContact O-CG 3.3Å; S388-Q392 WeakPolarHBondContact O-CG 3.45Å; S388-Q392 PolarHBondContact O-N 3.34Å; L389-Q392 WeakPolarHBondContact O-CB 3.43Å; L389-Q392 PolarHBondContact O-N 2.99Å; Q392-L395 PolarHBondContact O-N 3.26Å; Q392-Q396 WeakPolarHBondContact O-CB 3.43Å; Q392-Q396 VanDerWaalsContact O-CG 3.22Å; Q392-Q396 WeakPolarHBondContact O-CG 3.25Å; Q392-Q396 PolarHBondContact O-N 2.89Å
393	E	96.3	Very high	96	Very high	96 Å²	96	56.8 Å²	56.8	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-42.2	172.2	-68.6	-179.4	-167.3	0	0	112.5	L389 V390 V391 L395 Q396 R397	L389-E393 PolarHBondContact O-N 3.24Å; L389-E393 VanDerWaalsContact O-N 3.09Å; V390-E393 WeakPolarHBondContact O-CB 3.5Å; V390-E393 PolarHBondContact O-N 2.7Å; V391-E393 PolarHBondContact O-N 3.09Å; E393-L395 VanDerWaalsContact C-N 3.34Å; E393-Q396 PolarHBondContact O-N 3.07Å; E393-R397 WeakPolarHBondContact O-CB 3.24Å; E393-R397 VanDerWaalsContact O-CG 3.27Å; E393-R397 WeakPolarHBondContact O-CG 3.36Å; E393-R397 PolarHBondContact O-N 3.45Å; E393-R397 IonicContact OE2-NH2 3.38Å
394	L	96.9	Very high	96	Very high	19 Å²	19	57.5 Å²	57.5	10%	0.099	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-37	177	-61.9	176.8	0	0	0	112.1	V390 V391 G398 Q399 L400 M420	V390-L394 PolarHBondContact O-N 3.22Å; V391-L394 WeakPolarHBondContact O-CB 3.33Å; V391-L394 PolarHBondContact O-N 3.16Å; L394-G398 PolarHBondContact O-N 3.06Å; L394-Q399 PolarHBondContact O-N 3.42Å; L394-L400 HydrophobicContact CB-CB 3.88Å; L394-L400 HydrophobicContact CB-CD2 4.25Å; L394-L400 HydrophobicContact CD1-CD2 4.38Å; L394-L400 PolarHBondContact O-N 3.37Å; L394-M420 HydrophobicContact CD1-CB 4.27Å; L394-M420 HydrophobicContact CD1-CG 4.18Å; L394-M420 HydrophobicContact CD1-SD 4.2Å; L394-M420 HydrophobicContact CD2-CG 4.08Å; L394-M420 HydrophobicContact CD2-SD 3.98Å
395	L	96.7	Very high	96	Very high	39 Å²	39	63.8 Å²	63.8	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-46.2	173.9	-64.8	175.1	0	0	0	111.1	V391 Q392 E393 R397 G398 L400 L402	V391-L395 HydrophobicContact CG1-CD1 4.15Å; V391-L395 HydrophobicContact CG1-CG 4.23Å; V391-L395 WeakPolarHBondContact O-CG 3.29Å; V391-L395 PolarHBondContact O-N 3.34Å; Q392-L395 PolarHBondContact O-N 3.26Å; E393-L395 VanDerWaalsContact C-N 3.34Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 3.45Å; L395-G398 WeakPolarHBondContact O-CA 3.16Å; L395-G398 PolarHBondContact O-N 3.41Å; L395-L400 HydrophobicContact CD2-CB 3.99Å; L395-L400 HydrophobicContact CD2-CD2 4.27Å; L395-L400 HydrophobicContact CD2-CG 4.1Å; L395-L400 WeakPolarHBondContact CD2-O 3.44Å; L395-L402 HydrophobicContact CD1-CB 4.31Å; L395-L402 HydrophobicContact CD2-CB 3.84Å
396	Q	96.6	Very high	96	Very high	159 Å²	159	63.9 Å²	63.9	74%	0.743	34%	0.341	S	S	*	.	H	α-helix	trans	-64.6	-35.3	178.8	-74.6	172.9	14.1	0	0	112.8	Q392 E393 G398	Q392-Q396 WeakPolarHBondContact O-CB 3.43Å; Q392-Q396 VanDerWaalsContact O-CG 3.22Å; Q392-Q396 WeakPolarHBondContact O-CG 3.25Å; Q392-Q396 PolarHBondContact O-N 2.89Å; E393-Q396 PolarHBondContact O-N 3.07Å; Q396-G398 PolarHBondContact O-N 3.03Å
397	R	96.4	Very high	96.3	Very high	169 Å²	169	62.6 Å²	62.6	64%	0.638	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-5.4	172.8	-69.2	175.1	-171	-170	7.4	113.1	E393 L395 Q399	E393-R397 WeakPolarHBondContact O-CB 3.24Å; E393-R397 VanDerWaalsContact O-CG 3.27Å; E393-R397 WeakPolarHBondContact O-CG 3.36Å; E393-R397 PolarHBondContact O-N 3.45Å; E393-R397 IonicContact OE2-NH2 3.38Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 3.45Å; R397-Q399 HydrophobicContact CB-CG 4.05Å; R397-Q399 PolarHBondContact O-N 3.12Å
398	G	96.4	Very high	96.6	Very high	36 Å²	36	60.4 Å²	60.4	37%	0.371	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	21	-177.8	0	0	0	0	0	113.5	L394 L395 Q396 S410	L394-G398 PolarHBondContact O-N 3.06Å; L395-G398 WeakPolarHBondContact O-CA 3.16Å; L395-G398 PolarHBondContact O-N 3.41Å; Q396-G398 PolarHBondContact O-N 3.03Å; G398-S410 WeakPolarHBondContact O-CB 3.28Å; G398-S410 PolarHBondContact O-OG 2.93Å
399	Q	97.1	Very high	96.8	Very high	38 Å²	38	60.4 Å²	60.4	18%	0.178	30%	0.297	C	S	.	.	S	Bend	trans	-85.6	-33.1	177.4	-66.4	174.9	-38.8	0	0	111	L394 R397 C409 S410 G413 M420	L394-Q399 PolarHBondContact O-N 3.42Å; R397-Q399 HydrophobicContact CB-CG 4.05Å; R397-Q399 PolarHBondContact O-N 3.12Å; Q399-C409 WeakPolarHBondContact O-CA 3.39Å; Q399-S410 WeakPolarHBondContact CA-OG 3.44Å; Q399-S410 PolarHBondContact O-N 3.11Å; Q399-S410 PolarHBondContact O-OG 3.39Å; Q399-G413 VanDerWaalsContact O-CA 3.3Å; Q399-G413 WeakPolarHBondContact O-CA 3.33Å; Q399-M420 HydrophobicContact CB-SD 3.87Å
400	L	97.8	Very high	96.8	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151	178.3	-165.1	69.5	0	0	0	108.8	M361 V391 L394 L395 L407 L424	M361-L400 HydrophobicContact CE-CD1 3.42Å; M361-L400 VanDerWaalsContact CE-CD1 3.42Å; V391-L400 HydrophobicContact CG1-CD2 3.8Å; L394-L400 HydrophobicContact CB-CB 3.88Å; L394-L400 HydrophobicContact CB-CD2 4.25Å; L394-L400 HydrophobicContact CD1-CD2 4.38Å; L394-L400 PolarHBondContact O-N 3.37Å; L395-L400 HydrophobicContact CD2-CB 3.99Å; L395-L400 HydrophobicContact CD2-CD2 4.27Å; L395-L400 HydrophobicContact CD2-CG 4.1Å; L395-L400 WeakPolarHBondContact CD2-O 3.44Å; L400-L407 HydrophobicContact CD1-CD1 3.9Å; L400-L407 HydrophobicContact CD1-CG 4.34Å; L400-L407 HydrophobicContact CD2-CD1 3.88Å; L400-L407 HydrophobicContact CG-CD1 3.81Å; L400-L424 HydrophobicContact CD1-CD1 4.47Å; L400-L424 HydrophobicContact CD2-CD2 4.02Å
401	I	98.1	Very high	96.7	Very high	54 Å²	54	55.2 Å²	55.2	28%	0.277	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.1	174.6	-50.5	166.8	0	0	0	107.8	D403 L407 R408	I401-D403 HydrophobicContact CG2-CB 4.5Å; I401-L407 WeakPolarHBondContact O-CA 3.19Å; I401-R408 HydrophobicContact CB-CG 4.08Å; I401-R408 HydrophobicContact CD1-CG 4.45Å; I401-R408 PolarHBondContact N-O 2.98Å; I401-R408 PolarHBondContact O-N 2.82Å
402	L	98	Very high	96.6	Very high	29 Å²	29	60.5 Å²	60.5	15%	0.152	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	107.9	172.9	179.2	59	0	0	0	107.6	L381 L382 F385 L395 G406 L407	L381-L402 HydrophobicContact CB-CD1 4.3Å; L382-L402 HydrophobicContact CD2-CD1 4.25Å; L382-L402 HydrophobicContact CD2-CD2 4Å; L382-L402 HydrophobicContact CD2-CG 3.93Å; F385-L402 HydrophobicContact CB-CD2 3.93Å; L395-L402 HydrophobicContact CD1-CB 4.31Å; L395-L402 HydrophobicContact CD2-CB 3.84Å; L402-G406 WeakPolarHBondContact CA-O 3.31Å; L402-L407 HydrophobicContact CB-CD1 4.11Å; L402-L407 HydrophobicContact CD1-CB 4.23Å; L402-L407 HydrophobicContact CD1-CD1 4.18Å
403	D	96.6	Very high	96.5	Very high	44 Å²	44	57.4 Å²	57.4	24%	0.235	27%	0.273	C	S	.	.	S	Bend	trans	-138.1	-164.5	-177.3	62.1	14.6	0	0	0	111.3	H369 I401 R405 G406 R408	H369-D403 PolarHBondContact NE2-O 3.38Å; I401-D403 HydrophobicContact CG2-CB 4.5Å; D403-R405 PolarHBondContact O-N 3.22Å; D403-R405 VanDerWaalsContact OD1-CB 3.32Å; D403-R405 WeakPolarHBondContact OD1-CB 3.31Å; D403-R405 PolarHBondContact OD1-N 3.21Å; D403-R405 IonicContact OD2-NE 3.89Å; D403-G406 PolarHBondContact N-O 3.4Å; D403-G406 VanDerWaalsContact N-O 3.16Å; D403-G406 PolarHBondContact O-N 3.42Å; D403-G406 PolarHBondContact OD1-N 3.28Å; D403-R408 IonicContact OD1-CZ 2.63Å; D403-R408 IonicContact OD1-NH1 2.82Å; D403-R408 PolarHBondContact OD1-NH1 2.73Å; D403-R408 IonicContact OD2-CZ 2.99Å; D403-R408 VanDerWaalsContact OD2-CZ 3.25Å; D403-R408 IonicContact OD2-NH1 3.35Å; D403-R408 PolarHBondContact OD2-NH1 3.05Å; D403-R408 IonicContact OD2-NH2 3.86Å; D403-R408 PolarHBondContact OD2-NH2 3.16Å
404	D	96.1	Very high	96.5	Very high	141 Å²	141	53.3 Å²	53.3	75%	0.754	25%	0.254	S	S	*	.	S	Bend	trans	-62.3	-20.4	177.3	66.5	-42.1	0	0	0	113.7	H369	H369-D404 PolarHBondContact CD2-O 2.93Å
405	R	96.8	Very high	96.2	Very high	135 Å²	135	54.8 Å²	54.8	51%	0.509	27%	0.269	S	S	.	.	S	Bend	trans	-82.6	-39	176.2	-59.2	-170.8	-72.3	173.8	-10	111.5	S368 H369 D403	S368-R405 CarbonylContact C-O 3.6Å; S368-R405 WeakPolarHBondContact CA-O 3.47Å; S368-R405 WeakPolarHBondContact CB-O 3.46Å; H369-R405 PolarHBondContact N-O 3.14Å; H369-R405 VanDerWaalsContact N-O 3.13Å; D403-R405 PolarHBondContact O-N 3.22Å; D403-R405 VanDerWaalsContact OD1-CB 3.32Å; D403-R405 WeakPolarHBondContact OD1-CB 3.31Å; D403-R405 PolarHBondContact OD1-N 3.21Å; D403-R405 IonicContact OD2-NE 3.89Å
406	G	97.8	Very high	96.1	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-154.8	-178.5	0	0	0	0	0	113.1	I367 L402 D403	I367-G406 CarbonylContact O-C 3.54Å; I367-G406 WeakPolarHBondContact O-CA 3.27Å; L402-G406 WeakPolarHBondContact CA-O 3.31Å; D403-G406 PolarHBondContact N-O 3.4Å; D403-G406 VanDerWaalsContact N-O 3.16Å; D403-G406 PolarHBondContact O-N 3.42Å; D403-G406 PolarHBondContact OD1-N 3.28Å
407	L	98.4	Very high	96	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.7	-179.7	-175.4	71.3	0	0	0	110.4	L357 M361 G366 I367 L381 F385 L400 I401 L402	L357-L407 HydrophobicContact CD1-CD2 4.02Å; M361-L407 HydrophobicContact CE-CD2 4.32Å; M361-L407 HydrophobicContact CE-CG 4.14Å; M361-L407 HydrophobicContact SD-CB 4.39Å; M361-L407 HydrophobicContact SD-CD2 3.65Å; M361-L407 HydrophobicContact SD-CG 3.69Å; G366-L407 CarbonylContact C-O 3.55Å; G366-L407 WeakPolarHBondContact CA-O 3.33Å; I367-L407 PolarHBondContact N-O 3.48Å; I367-L407 PolarHBondContact O-N 2.82Å; L381-L407 HydrophobicContact CD1-CB 4.02Å; L381-L407 HydrophobicContact CD2-CB 4.39Å; F385-L407 HydrophobicContact CD2-CD2 3.82Å; F385-L407 HydrophobicContact CE2-CD2 3.67Å; F385-L407 HydrophobicContact CZ-CD2 4.27Å; L400-L407 HydrophobicContact CD1-CD1 3.9Å; L400-L407 HydrophobicContact CD1-CG 4.34Å; L400-L407 HydrophobicContact CD2-CD1 3.88Å; L400-L407 HydrophobicContact CG-CD1 3.81Å; I401-L407 WeakPolarHBondContact O-CA 3.19Å; L402-L407 HydrophobicContact CB-CD1 4.11Å; L402-L407 HydrophobicContact CD1-CB 4.23Å; L402-L407 HydrophobicContact CD1-CD1 4.18Å
408	R	98.1	Very high	95.9	Very high	25 Å²	25	46.4 Å²	46.4	9%	0.094	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	163.5	175.7	67.3	-171.9	178.4	-77	-7.8	111.5	I401 D403	I401-R408 HydrophobicContact CB-CG 4.08Å; I401-R408 HydrophobicContact CD1-CG 4.45Å; I401-R408 PolarHBondContact N-O 2.98Å; I401-R408 PolarHBondContact O-N 2.82Å; D403-R408 IonicContact OD1-CZ 2.63Å; D403-R408 IonicContact OD1-NH1 2.82Å; D403-R408 PolarHBondContact OD1-NH1 2.73Å; D403-R408 IonicContact OD2-CZ 2.99Å; D403-R408 VanDerWaalsContact OD2-CZ 3.25Å; D403-R408 IonicContact OD2-NH1 3.35Å; D403-R408 PolarHBondContact OD2-NH1 3.05Å; D403-R408 IonicContact OD2-NH2 3.86Å; D403-R408 PolarHBondContact OD2-NH2 3.16Å
409	C	97.6	Very high	95.9	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	151	168.7	-69.7	0	0	0	0	111.4	M361 Q399 L414	M361-C409 VanDerWaalsContact CE-SG 3.58Å; Q399-C409 WeakPolarHBondContact O-CA 3.39Å; C409-L414 HydrophobicContact CB-CB 4.04Å
410	S	95.9	Very high	95.8	Very high	16 Å²	16	47.1 Å²	47.1	11%	0.112	25%	0.245	C	C	.	.			trans	-69.4	177.6	155.4	68.1	0	0	0	0	110.2	G398 Q399 E412 G413 L414	G398-S410 WeakPolarHBondContact O-CB 3.28Å; G398-S410 PolarHBondContact O-OG 2.93Å; Q399-S410 WeakPolarHBondContact CA-OG 3.44Å; Q399-S410 PolarHBondContact O-N 3.11Å; Q399-S410 PolarHBondContact O-OG 3.39Å; S410-E412 VanDerWaalsContact C-N 3.29Å; S410-E412 PolarHBondContact O-N 2.99Å; S410-G413 PolarHBondContact O-N 3.37Å; S410-G413 PolarHBondContact OG-N 2.85Å; S410-L414 PolarHBondContact O-N 3.16Å
411	W	91.6	Very high	95.8	Very high	79 Å²	79	47.5 Å²	47.5	30%	0.299	25%	0.247	S	C	.	.	H	α-helix	trans	-68.1	-34.1	-179.3	-146.2	14.1	0	0	0	111.5	R262 Q266	R262-W411 HydrophobicContact CB-CH2 4.15Å; R262-W411 HydrophobicContact CB-CZ2 3.6Å; R262-W411 HydrophobicContact CG-CZ2 4Å; R262-W411 VanDerWaalsContact NH1-CD1 3.31Å; R262-W411 PolarHBondContact NH1-O 3.38Å; R262-W411 VanDerWaalsContact NH2-CE2 3.29Å; R262-W411 PolarHBondContact NH2-O 2.71Å; R262-W411 VanDerWaalsContact NH2-O 3.13Å; Q266-W411 HydrophobicContact CB-CH2 4.5Å
412	E	92.7	Very high	95.7	Very high	112 Å²	112	48.4 Å²	48.4	52%	0.523	26%	0.256	S	S	.	.	H	α-helix	trans	-71	-42.7	172.2	-64.5	68.1	-150.4	0	0	110.9	S410 L414 A415	S410-E412 VanDerWaalsContact C-N 3.29Å; S410-E412 PolarHBondContact O-N 2.99Å; E412-L414 VanDerWaalsContact C-N 3.33Å; E412-L414 PolarHBondContact O-N 3.26Å; E412-A415 WeakPolarHBondContact O-CB 3.34Å; E412-A415 PolarHBondContact O-N 2.78Å
413	G	95.6	Very high	95.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-39.9	176.8	0	0	0	0	0	113.1	Q399 S410 A415 L416 L417 M420	Q399-G413 VanDerWaalsContact O-CA 3.3Å; Q399-G413 WeakPolarHBondContact O-CA 3.33Å; S410-G413 PolarHBondContact O-N 3.37Å; S410-G413 PolarHBondContact OG-N 2.85Å; G413-A415 PolarHBondContact O-N 3.32Å; G413-L416 CarbonylContact O-C 3.54Å; G413-L416 WeakPolarHBondContact O-CA 3.49Å; G413-L416 PolarHBondContact O-N 3.37Å; G413-L417 PolarHBondContact O-N 3.34Å; G413-M420 WeakPolarHBondContact O-CE 3.38Å
414	L	94.7	Very high	95.7	Very high	10 Å²	10	47 Å²	47	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-32.8	-179.2	-171.6	64.6	0	0	0	111.7	V275 T364 C409 S410 E412 L416 L417	V275-L414 HydrophobicContact CG1-CD1 3.75Å; V275-L414 HydrophobicContact CG1-CG 4.26Å; T364-L414 HydrophobicContact CG2-CD2 3.82Å; C409-L414 HydrophobicContact CB-CB 4.04Å; S410-L414 PolarHBondContact O-N 3.16Å; E412-L414 VanDerWaalsContact C-N 3.33Å; E412-L414 PolarHBondContact O-N 3.26Å; L414-L416 PolarHBondContact O-N 2.81Å; L414-L417 HydrophobicContact CD1-CD2 4.17Å; L414-L417 WeakPolarHBondContact O-CB 3.29Å; L414-L417 PolarHBondContact O-N 3.33Å
415	A	91.9	Very high	95.8	Very high	50 Å²	50	42.4 Å²	42.4	41%	0.413	23%	0.226	S	C	.	.	H	α-helix	trans	-70.2	-18.7	174.8	0	0	0	0	0	113.2	Y258 E412 G413	Y258-A415 HydrophobicContact CE1-CB 4.2Å; E412-A415 WeakPolarHBondContact O-CB 3.34Å; E412-A415 PolarHBondContact O-N 2.78Å; G413-A415 PolarHBondContact O-N 3.32Å
416	L	93.7	Very high	95.8	Very high	82 Å²	82	40.2 Å²	40.2	43%	0.429	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	8.9	-179.6	-60.4	176	0	0	0	112.7	G413 L414 D418 S419 M420	G413-L416 CarbonylContact O-C 3.54Å; G413-L416 WeakPolarHBondContact O-CA 3.49Å; G413-L416 PolarHBondContact O-N 3.37Å; L414-L416 PolarHBondContact O-N 2.81Å; L416-D418 VanDerWaalsContact C-N 3.32Å; L416-D418 PolarHBondContact O-N 2.81Å; L416-S419 WeakPolarHBondContact O-CB 3.39Å; L416-S419 PolarHBondContact O-N 2.96Å; L416-S419 PolarHBondContact O-OG 3.28Å; L416-M420 PolarHBondContact O-N 2.95Å
417	L	95.5	Very high	95.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-52.4	-46.3	-168.6	173.4	62.2	0	0	0	113.1	V275 M361 R362 G413 L414 S419 M420 L421	V275-L417 HydrophobicContact CG1-CD2 4.28Å; M361-L417 HydrophobicContact CB-CD1 3.77Å; M361-L417 HydrophobicContact CB-CD2 4.42Å; M361-L417 WeakPolarHBondContact O-CD2 3.48Å; R362-L417 HydrophobicContact CB-CD2 4.28Å; R362-L417 HydrophobicContact CG-CD2 3.55Å; G413-L417 PolarHBondContact O-N 3.34Å; L414-L417 HydrophobicContact CD1-CD2 4.17Å; L414-L417 WeakPolarHBondContact O-CB 3.29Å; L414-L417 PolarHBondContact O-N 3.33Å; L417-S419 PolarHBondContact O-N 3.17Å; L417-S419 VanDerWaalsContact O-N 3.15Å; L417-M420 PolarHBondContact O-N 3.01Å; L417-L421 HydrophobicContact CD1-CD1 4.23Å; L417-L421 HydrophobicContact CD1-CD2 3.93Å; L417-L421 HydrophobicContact CD1-CG 3.72Å; L417-L421 HydrophobicContact CD2-CD1 4.45Å; L417-L421 HydrophobicContact CG-CD1 3.95Å; L417-L421 HydrophobicContact CG-CG 3.95Å; L417-L421 WeakPolarHBondContact O-CG 3.26Å; L417-L421 PolarHBondContact O-N 2.76Å
418	D	94.4	Very high	95.8	Very high	106 Å²	106	41.1 Å²	41.1	57%	0.567	23%	0.231	S	C	*	.	H	α-helix	trans	-62.8	-24.5	-176.4	-70.8	-16.8	0	0	0	112.7	R362 L416 P422	R362-D418 IonicContact CZ-OD1 2.69Å; R362-D418 IonicContact NH1-OD1 3.39Å; R362-D418 IonicContact NH2-OD1 2.9Å; R362-D418 PolarHBondContact NH2-OD1 2.79Å; L416-D418 VanDerWaalsContact C-N 3.32Å; L416-D418 PolarHBondContact O-N 2.81Å; D418-P422 VanDerWaalsContact O-CD 3.32Å; D418-P422 WeakPolarHBondContact O-CD 3.44Å
419	S	94.8	Very high	95.7	Very high	83 Å²	83	44.7 Å²	44.7	58%	0.58	25%	0.249	S	C	*	.	H	α-helix	trans	-79.2	-24.8	173.1	73.3	0	0	0	0	113.7	L416 L417	L416-S419 WeakPolarHBondContact O-CB 3.39Å; L416-S419 PolarHBondContact O-N 2.96Å; L416-S419 PolarHBondContact O-OG 3.28Å; L417-S419 PolarHBondContact O-N 3.17Å; L417-S419 VanDerWaalsContact O-N 3.15Å
420	M	95.9	Very high	95.7	Very high	6 Å²	6	51 Å²	51	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-91.3	-31.4	-179	-63.9	-174.4	-64.2	0	0	112.3	L394 Q399 G413 L416 L417 P422 V423 L424	L394-M420 HydrophobicContact CD1-CB 4.27Å; L394-M420 HydrophobicContact CD1-CG 4.18Å; L394-M420 HydrophobicContact CD1-SD 4.2Å; L394-M420 HydrophobicContact CD2-CG 4.08Å; L394-M420 HydrophobicContact CD2-SD 3.98Å; Q399-M420 HydrophobicContact CB-SD 3.87Å; G413-M420 WeakPolarHBondContact O-CE 3.38Å; L416-M420 PolarHBondContact O-N 2.95Å; L417-M420 PolarHBondContact O-N 3.01Å; M420-P422 VanDerWaalsContact C-CD 3.48Å; M420-V423 WeakPolarHBondContact O-CB 3.49Å; M420-V423 PolarHBondContact O-N 2.9Å; M420-V423 VanDerWaalsContact O-N 3.09Å; M420-L424 PolarHBondContact O-N 3.49Å
421	L	97.1	Very high	95.6	Very high	11 Å²	11	51 Å²	51	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-52.6	-43.8	-177.3	-81.3	174.5	0	0	0	114.4	V358 M361 L417 V423 L424 L425	V358-L421 HydrophobicContact CG1-CD1 4.22Å; V358-L421 HydrophobicContact CG2-CD2 4.3Å; M361-L421 HydrophobicContact CB-CD2 4.14Å; M361-L421 HydrophobicContact CG-CD2 4.44Å; L417-L421 HydrophobicContact CD1-CD1 4.23Å; L417-L421 HydrophobicContact CD1-CD2 3.93Å; L417-L421 HydrophobicContact CD1-CG 3.72Å; L417-L421 HydrophobicContact CD2-CD1 4.45Å; L417-L421 HydrophobicContact CG-CD1 3.95Å; L417-L421 HydrophobicContact CG-CG 3.95Å; L417-L421 WeakPolarHBondContact O-CG 3.26Å; L417-L421 PolarHBondContact O-N 2.76Å; L421-V423 VanDerWaalsContact C-N 3.26Å; L421-V423 PolarHBondContact O-N 3.04Å; L421-L424 PolarHBondContact O-N 3.36Å; L421-L424 VanDerWaalsContact O-N 3.15Å; L421-L425 WeakPolarHBondContact O-CG 3.45Å; L421-L425 PolarHBondContact O-N 2.91Å
422	P	97.4	Very high	95.8	Very high	74 Å²	74	48.6 Å²	48.6	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-38	178.6	-26.5	35.9	0	0	0	113.1	D418 M420 L425 V426	D418-P422 VanDerWaalsContact O-CD 3.32Å; D418-P422 WeakPolarHBondContact O-CD 3.44Å; M420-P422 VanDerWaalsContact C-CD 3.48Å; P422-L425 PolarHBondContact O-N 3.29Å; P422-V426 WeakPolarHBondContact O-CG2 3.22Å; P422-V426 PolarHBondContact O-N 3.11Å; P422-V426 VanDerWaalsContact O-N 3.1Å
423	V	96	Very high	95.8	Very high	44 Å²	44	46.1 Å²	46.1	27%	0.267	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-45.6	177.2	173.6	0	0	0	0	110.5	V390 M420 L421 L425 V426 E427	V390-V423 HydrophobicContact CB-CG1 3.95Å; V390-V423 HydrophobicContact CG1-CG1 3.44Å; V390-V423 VanDerWaalsContact CG1-CG1 3.44Å; V390-V423 HydrophobicContact CG1-CG2 4.3Å; M420-V423 WeakPolarHBondContact O-CB 3.49Å; M420-V423 PolarHBondContact O-N 2.9Å; M420-V423 VanDerWaalsContact O-N 3.09Å; L421-V423 VanDerWaalsContact C-N 3.26Å; L421-V423 PolarHBondContact O-N 3.04Å; V423-L425 VanDerWaalsContact C-N 3.32Å; V423-L425 PolarHBondContact O-N 3.22Å; V423-V426 PolarHBondContact O-N 3.47Å; V423-E427 PolarHBondContact O-N 3.34Å; V423-E427 VanDerWaalsContact O-N 3.15Å
424	L	97.9	Very high	95.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-37.5	179.9	-58.4	179.1	0	0	0	111.9	L357 M361 F385 V391 L400 M420 L421 E427 L428	L357-L424 HydrophobicContact CD2-CB 3.98Å; M361-L424 HydrophobicContact CE-CD1 4.08Å; M361-L424 HydrophobicContact CG-CD1 4.46Å; F385-L424 HydrophobicContact CD1-CD2 4.13Å; F385-L424 HydrophobicContact CE1-CB 4.06Å; F385-L424 HydrophobicContact CE1-CD2 4.01Å; F385-L424 WeakPolarHBondContact CE1-O 3.47Å; F385-L424 HydrophobicContact CZ-CB 4.44Å; V391-L424 HydrophobicContact CG2-CD2 4.07Å; L400-L424 HydrophobicContact CD1-CD1 4.47Å; L400-L424 HydrophobicContact CD2-CD2 4.02Å; M420-L424 PolarHBondContact O-N 3.49Å; L421-L424 PolarHBondContact O-N 3.36Å; L421-L424 VanDerWaalsContact O-N 3.15Å; L424-E427 PolarHBondContact O-N 3.07Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 PolarHBondContact O-N 3.48Å
425	L	98.2	Very high	95.4	Very high	43 Å²	43	53.2 Å²	53.2	23%	0.225	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-43.7	176.2	-74.5	166.7	0	0	0	112.1	E354 L357 V358 L421 P422 V423 E427 L428 E429	E354-L425 HydrophobicContact CB-CD2 3.72Å; E354-L425 HydrophobicContact CG-CD2 3.68Å; L357-L425 HydrophobicContact CD2-CD2 4.2Å; V358-L425 HydrophobicContact CG2-CD1 3.99Å; V358-L425 HydrophobicContact CG2-CD2 3.94Å; V358-L425 HydrophobicContact CG2-CG 4.27Å; L421-L425 WeakPolarHBondContact O-CG 3.45Å; L421-L425 PolarHBondContact O-N 2.91Å; P422-L425 PolarHBondContact O-N 3.29Å; V423-L425 VanDerWaalsContact C-N 3.32Å; V423-L425 PolarHBondContact O-N 3.22Å; L425-E427 VanDerWaalsContact C-N 3.34Å; L425-E427 PolarHBondContact O-N 3.16Å; L425-L428 WeakPolarHBondContact O-CB 3.47Å; L425-L428 PolarHBondContact O-N 2.89Å; L425-E429 PolarHBondContact O-N 3.3Å
426	V	97.6	Very high	95.1	Very high	90 Å²	90	56 Å²	56	55%	0.545	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-41.8	177.5	169.2	0	0	0	0	111.5	P422 V423 E429 R430	P422-V426 WeakPolarHBondContact O-CG2 3.22Å; P422-V426 PolarHBondContact O-N 3.11Å; P422-V426 VanDerWaalsContact O-N 3.1Å; V423-V426 PolarHBondContact O-N 3.47Å; V426-E429 PolarHBondContact O-N 3.14Å; V426-R430 VanDerWaalsContact O-CB 3.32Å; V426-R430 WeakPolarHBondContact O-CB 3.48Å; V426-R430 PolarHBondContact O-N 3.16Å
427	E	97.3	Very high	94.8	Very high	20 Å²	20	56.2 Å²	56.2	9%	0.093	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-36.1	177.5	-64.7	-65	-177.9	0	0	112.4	F385 S388 V391 V423 L424 L425 R430 S431	F385-E427 HydrophobicContact CD1-CB 4.25Å; F385-E427 HydrophobicContact CE1-CB 4.2Å; S388-E427 WeakPolarHBondContact CB-OE1 3.43Å; S388-E427 PolarHBondContact OG-OE1 3.45Å; V391-E427 HydrophobicContact CG2-CG 4.35Å; V423-E427 PolarHBondContact O-N 3.34Å; V423-E427 VanDerWaalsContact O-N 3.15Å; L424-E427 PolarHBondContact O-N 3.07Å; L425-E427 VanDerWaalsContact C-N 3.34Å; L425-E427 PolarHBondContact O-N 3.16Å; E427-R430 PolarHBondContact O-N 2.82Å; E427-R430 IonicContact OE2-NH1 2.69Å; E427-S431 WeakPolarHBondContact O-CB 3.18Å; E427-S431 PolarHBondContact O-N 3.09Å; E427-S431 PolarHBondContact O-OG 3.39Å
428	L	97.8	Very high	94.2	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-52.7	171.7	173.8	63.6	0	0	0	111.1	L350 L353 E354 L357 W372 I384 L424 L425 R430 S431 F432	L350-L428 HydrophobicContact CD1-CD2 4.37Å; L350-L428 HydrophobicContact CD1-CG 4.08Å; L353-L428 HydrophobicContact CB-CD1 4.31Å; L353-L428 HydrophobicContact CB-CD2 3.93Å; L353-L428 HydrophobicContact CD1-CD1 4.43Å; E354-L428 HydrophobicContact CG-CD2 4.01Å; L357-L428 HydrophobicContact CB-CD2 4.44Å; L357-L428 HydrophobicContact CD2-CB 4.24Å; L357-L428 HydrophobicContact CD2-CD2 3.93Å; W372-L428 HydrophobicContact CH2-CD1 3.81Å; W372-L428 HydrophobicContact CH2-CD2 4.31Å; W372-L428 HydrophobicContact CZ2-CD1 3.93Å; I384-L428 HydrophobicContact CD1-CD1 3.84Å; I384-L428 HydrophobicContact CG2-CB 4.4Å; I384-L428 HydrophobicContact CG2-CD1 4.48Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 PolarHBondContact O-N 3.48Å; L425-L428 WeakPolarHBondContact O-CB 3.47Å; L425-L428 PolarHBondContact O-N 2.89Å; L428-R430 VanDerWaalsContact C-N 3.3Å; L428-R430 PolarHBondContact O-N 3.16Å; L428-S431 PolarHBondContact O-N 3.03Å; L428-F432 WeakPolarHBondContact O-CB 3.49Å; L428-F432 PolarHBondContact O-N 2.88Å
429	E	97.2	Very high	93.1	Very high	100 Å²	100	62.8 Å²	62.8	47%	0.467	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-41.5	-179.9	-179.1	177.2	-166.9	0	0	111.8	L350 L425 V426 S433	L350-E429 HydrophobicContact CD2-CB 4.42Å; L350-E429 HydrophobicContact CD2-CG 4.03Å; L425-E429 PolarHBondContact O-N 3.3Å; V426-E429 PolarHBondContact O-N 3.14Å; E429-S433 VanDerWaalsContact O-CB 3.31Å; E429-S433 WeakPolarHBondContact O-CB 3.45Å; E429-S433 PolarHBondContact O-N 3.35Å; E429-S433 PolarHBondContact O-OG 3.1Å
430	R	95.9	Very high	93	Very high	143 Å²	143	61.8 Å²	61.8	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-53.7	177.4	-178	-176.9	-179.9	179.6	2	111.8	V426 E427 L428 F432 S433 Q434	V426-R430 VanDerWaalsContact O-CB 3.32Å; V426-R430 WeakPolarHBondContact O-CB 3.48Å; V426-R430 PolarHBondContact O-N 3.16Å; E427-R430 PolarHBondContact O-N 2.82Å; E427-R430 IonicContact OE2-NH1 2.69Å; L428-R430 VanDerWaalsContact C-N 3.3Å; L428-R430 PolarHBondContact O-N 3.16Å; R430-F432 VanDerWaalsContact C-N 3.31Å; R430-F432 PolarHBondContact O-N 3.18Å; R430-S433 PolarHBondContact O-N 3.31Å; R430-Q434 WeakPolarHBondContact O-CG 3.3Å; R430-Q434 PolarHBondContact O-N 2.83Å
431	S	95.1	Very high	92.9	Very high	15 Å²	15	64.7 Å²	64.7	11%	0.105	36%	0.363	C	S	.	.	H	α-helix	trans	-65.6	-36.8	-178.4	-67.6	0	0	0	0	111.6	E427 L428 K435	E427-S431 WeakPolarHBondContact O-CB 3.18Å; E427-S431 PolarHBondContact O-N 3.09Å; E427-S431 PolarHBondContact O-OG 3.39Å; L428-S431 PolarHBondContact O-N 3.03Å; S431-K435 WeakPolarHBondContact O-CB 3.4Å; S431-K435 PolarHBondContact O-N 2.89Å; S431-K435 VanDerWaalsContact O-N 3.08Å
432	F	94.6	Very high	92.6	Very high	29 Å²	29	67.7 Å²	67.7	13%	0.127	38%	0.38	C	S	.	.	H	α-helix	trans	-61.2	-48	173.8	-169.3	-96.5	0	0	0	112.1	H349 L350 L353 L428 R430 K435 L436	H349-F432 HydrophobicContact CB-CZ 4.09Å; H349-F432 AromaticContact CD2-CE2 3.41Å; H349-F432 VanDerWaalsContact CD2-CE2 3.41Å; H349-F432 WeakPolarHBondContact CD2-CE2 3.23Å; H349-F432 AromaticContact CD2-CZ 3.7Å; L350-F432 HydrophobicContact CB-CD1 3.93Å; L350-F432 HydrophobicContact CB-CE1 3.79Å; L350-F432 HydrophobicContact CB-CG 4.41Å; L350-F432 HydrophobicContact CB-CZ 4.19Å; L350-F432 HydrophobicContact CD1-CB 4.01Å; L350-F432 HydrophobicContact CD1-CD1 4.12Å; L350-F432 HydrophobicContact CD1-CD2 4.43Å; L350-F432 HydrophobicContact CD1-CG 3.93Å; L350-F432 HydrophobicContact CD2-CD1 4.27Å; L350-F432 HydrophobicContact CG-CD1 4.33Å; L353-F432 HydrophobicContact CD1-CD2 4.02Å; L353-F432 HydrophobicContact CD1-CE2 4.02Å; L428-F432 WeakPolarHBondContact O-CB 3.49Å; L428-F432 PolarHBondContact O-N 2.88Å; R430-F432 VanDerWaalsContact C-N 3.31Å; R430-F432 PolarHBondContact O-N 3.18Å; F432-K435 PolarHBondContact O-N 3.4Å; F432-L436 HydrophobicContact CD1-CD1 3.8Å; F432-L436 HydrophobicContact CD1-CG 4.29Å; F432-L436 HydrophobicContact CE1-CD1 3.41Å; F432-L436 VanDerWaalsContact CE1-CD1 3.41Å; F432-L436 HydrophobicContact CE1-CG 4.01Å; F432-L436 HydrophobicContact CZ-CD1 4.24Å; F432-L436 HydrophobicContact CZ-CG 4.49Å; F432-L436 PolarHBondContact O-N 3.08Å
433	S	93.7	Very high	92.4	Very high	60 Å²	60	67.4 Å²	67.4	42%	0.42	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-40.7	179.7	-60.5	0	0	0	0	112.5	E429 R430 K435 L436 A437	E429-S433 VanDerWaalsContact O-CB 3.31Å; E429-S433 WeakPolarHBondContact O-CB 3.45Å; E429-S433 PolarHBondContact O-N 3.35Å; E429-S433 PolarHBondContact O-OG 3.1Å; R430-S433 PolarHBondContact O-N 3.31Å; S433-K435 VanDerWaalsContact C-N 3.3Å; S433-K435 PolarHBondContact O-N 2.54Å; S433-L436 PolarHBondContact O-N 3.44Å; S433-A437 PolarHBondContact O-N 3.07Å; S433-A437 VanDerWaalsContact O-N 3.1Å
434	Q	92.3	Very high	92.1	Very high	109 Å²	109	68.8 Å²	68.8	51%	0.509	38%	0.381	S	S	.	.	H	α-helix	trans	-61.9	-40.5	176.1	-75.4	176.3	-12.5	0	0	111.8	R430 A437 A438	R430-Q434 WeakPolarHBondContact O-CG 3.3Å; R430-Q434 PolarHBondContact O-N 2.83Å; Q434-A437 PolarHBondContact O-N 3.41Å; Q434-A438 PolarHBondContact O-N 3.23Å
435	K	89.1	Confident	91.8	Very high	49 Å²	49	73.4 Å²	73.4	21%	0.213	41%	0.407	C	S	.	.	H	α-helix	trans	-69	-41.7	178.2	-173.4	175.8	168.2	-144.1	0	112.5	E378 L379 S431 F432 S433 A437 A438 N439	E378-K435 WeakPolarHBondContact O-CE 3.41Å; E378-K435 PolarHBondContact O-NZ 2.83Å; E378-K435 IonicContact OE2-NZ 2.85Å; E378-K435 PolarHBondContact OE2-NZ 3.26Å; L379-K435 HydrophobicContact CB-CD 3.98Å; L379-K435 HydrophobicContact CD1-CD 4.07Å; L379-K435 HydrophobicContact CG-CD 4.42Å; S431-K435 WeakPolarHBondContact O-CB 3.4Å; S431-K435 PolarHBondContact O-N 2.89Å; S431-K435 VanDerWaalsContact O-N 3.08Å; F432-K435 PolarHBondContact O-N 3.4Å; S433-K435 VanDerWaalsContact C-N 3.3Å; S433-K435 PolarHBondContact O-N 2.54Å; K435-A437 PolarHBondContact O-N 3.42Å; K435-A438 PolarHBondContact O-N 3.19Å; K435-N439 PolarHBondContact O-N 3.42Å
436	L	86.1	Confident	91.3	Very high	109 Å²	109	75.6 Å²	75.6	57%	0.571	42%	0.419	S	S	*	.	H	α-helix	trans	-60	-29.3	172.7	-76.7	179.9	0	0	0	113	F432 S433	F432-L436 HydrophobicContact CD1-CD1 3.8Å; F432-L436 HydrophobicContact CD1-CG 4.29Å; F432-L436 HydrophobicContact CE1-CD1 3.41Å; F432-L436 VanDerWaalsContact CE1-CD1 3.41Å; F432-L436 HydrophobicContact CE1-CG 4.01Å; F432-L436 HydrophobicContact CZ-CD1 4.24Å; F432-L436 HydrophobicContact CZ-CG 4.49Å; F432-L436 PolarHBondContact O-N 3.08Å; S433-L436 PolarHBondContact O-N 3.44Å
437	A	87.4	Confident	90.8	Very high	87 Å²	87	74.5 Å²	74.5	72%	0.719	41%	0.41	S	S	*	.	H	α-helix	trans	-80.7	-17.3	176	0	0	0	0	0	113.8	S433 Q434 K435	S433-A437 PolarHBondContact O-N 3.07Å; S433-A437 VanDerWaalsContact O-N 3.1Å; Q434-A437 PolarHBondContact O-N 3.41Å; K435-A437 PolarHBondContact O-N 3.42Å
438	A	83.1	Confident	90.3	Very high	83 Å²	83	79 Å²	79	69%	0.686	44%	0.436	S	S	*	.	H	α-helix	trans	-91.2	-22.3	-179.9	0	0	0	0	0	113.3	Q434 K435	Q434-A438 PolarHBondContact O-N 3.23Å; K435-A438 PolarHBondContact O-N 3.19Å
439	N	71.1	Confident	89.6	Confident	164 Å²	164	86.2 Å²	86.2	88%	0.877	48%	0.476	S	S	*	.			trans	-90.7	0	171.6	-70.5	-14.5	0	0	0	110.7	K435	K435-N439 PolarHBondContact O-N 3.42Å

Retrieved 439 of 439 residues in 149.7 ms (Link to these results)

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