A0A096LUN3_POEFO Loading...

Threonylcarbamoyl-AMP synthase

Cytoplasmic and mitochondrial threonylcarbamoyl-AMP synthase required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in tRNAs that read codons beginning with adenine. Catalyzes the conversion of L-threonine, HCO(3)(-)/CO(2) and ATP to give threonylcarbamoyl-AMP (TC-AMP) as the acyladenylate intermediate, with the release of diphosphate. Participates in t(6)A37 formation in cytoplasmic and mitochondrial tRNAs. May regulate the activity of some transporters.

AlphaFold DB , UniProt , Accession A0A096LUN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	31.2	Very low	242 Å²	242	142.6 Å²	142.6	100%	1.192	83%	0.829	S	S	*	*				0	118.2	0	-87.8	161.6	124.6	0	0	108.3
2	R	34.4	Very low	31.4	Very low	251 Å²	251	144.7 Å²	144.7	95%	0.947	83%	0.831	S	S	*	*			trans	41.5	140.3	146.1	-63.2	-177.5	178	-173.4	-0.5	119.2
3	S	30.9	Very low	31.3	Very low	98 Å²	98	147.2 Å²	147.2	69%	0.685	83%	0.827	S	S	*	*			cis	179.8	143.4	-3	-178.9	0	0	0	0	107.8
4	F	31.4	Very low	31.1	Very low	178 Å²	178	153 Å²	153	78%	0.781	83%	0.832	S	S	*	*			trans	20.1	137.7	143.1	-73.4	-99.8	0	0	0	122.9	F6	F4-F6 HydrophobicContact CD1-CD2 4.02Å; F4-F6 HydrophobicContact CD1-CE2 4.4Å; F4-F6 HydrophobicContact CE1-CD2 4.26Å; F4-F6 HydrophobicContact CE1-CE2 4.17Å
5	G	29	Very low	31.1	Very low	81 Å²	81	158.6 Å²	158.6	84%	0.835	84%	0.836	S	S	*	*			trans	-148.4	99.1	149.9	0	0	0	0	0	111.1
6	F	29.7	Very low	31	Very low	169 Å²	169	153.2 Å²	153.2	74%	0.741	83%	0.83	S	S	*	*			trans	-79.8	145.5	173.6	-118.9	-103.2	0	0	0	110.4	F4	F4-F6 HydrophobicContact CD1-CD2 4.02Å; F4-F6 HydrophobicContact CD1-CE2 4.4Å; F4-F6 HydrophobicContact CE1-CD2 4.26Å; F4-F6 HydrophobicContact CE1-CE2 4.17Å
7	V	33.6	Very low	31	Very low	149 Å²	149	151.6 Å²	151.6	90%	0.903	83%	0.833	S	S	*	*			trans	-140.3	124.2	144.1	-179.7	0	0	0	0	108.9
8	A	30	Very low	31	Very low	72 Å²	72	153.8 Å²	153.8	60%	0.595	84%	0.836	S	S	*	*			trans	-92.9	144.1	177.9	0	0	0	0	0	110.6
9	A	29.1	Very low	30.8	Very low	101 Å²	101	152.5 Å²	152.5	84%	0.835	84%	0.838	S	S	*	*				101.1	124.1	108	0	0	0	0	0	115.3
10	G	27.3	Very low	30.8	Very low	81 Å²	81	150.1 Å²	150.1	84%	0.835	83%	0.833	S	S	*	*			trans	-160.8	84.7	167	0	0	0	0	0	109.5
11	L	29.8	Very low	31	Very low	147 Å²	147	147.8 Å²	147.8	77%	0.77	83%	0.833	S	S	*	*			trans	-75.3	128.6	172.6	-117	92.2	0	0	0	109.6	K13	L11-K13 HydrophobicContact CD2-CG 4.47Å
12	I	33.6	Very low	30.7	Very low	167 Å²	167	142.6 Å²	142.6	86%	0.856	81%	0.814	S	S	*	*			trans	-128.5	115	150.7	-64	-179.6	0	0	0	108.1
13	K	30.5	Very low	30.7	Very low	177 Å²	177	135.2 Å²	135.2	77%	0.77	81%	0.807	S	S	*	*			trans	-74.5	136.2	170	-76.8	173	173.9	173.8	0	109	L11	L11-K13 HydrophobicContact CD2-CG 4.47Å
14	Y	27.8	Very low	30.6	Very low	229 Å²	229	133.5 Å²	133.5	90%	0.898	81%	0.805	S	S	*	*			trans	-132.3	128.7	148.2	-135.8	-95.7	0	0	0	109.9
15	R	31.1	Very low	30.6	Very low	237 Å²	237	136.8 Å²	136.8	89%	0.894	81%	0.812	S	S	*	*			trans	-72.4	148.2	-179	-85.4	174.2	144.2	178.4	-7.1	110.4
16	G	29.4	Very low	30.8	Very low	72 Å²	72	140.9 Å²	140.9	74%	0.742	81%	0.814	S	S	*	*			trans	-78.6	177.8	-177.2	0	0	0	0	0	115.5
17	S	31.2	Very low	30.7	Very low	127 Å²	127	136 Å²	136	89%	0.888	81%	0.812	S	S	*	*			trans	-149.7	127.7	152.5	-78.3	0	0	0	0	108.6
18	H	31.3	Very low	30.8	Very low	191 Å²	191	134.6 Å²	134.6	88%	0.884	80%	0.804	S	S	*	*			trans	-64.5	136.7	168.9	-81.4	-93.8	0	0	0	110.4
19	C	26.3	Very low	31	Very low	129 Å²	129	138.8 Å²	138.8	87%	0.872	82%	0.816	S	S	*	*				-177.2	144.5	122.8	-111.2	0	0	0	0	113.7
20	S	30.7	Very low	31.3	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	81%	0.813	S	S	*	*			trans	77.3	103.1	154.6	-150.9	0	0	0	0	118.8	V22	S20-V22 PolarHBondContact O-N 3.04Å
21	A	36.4	Very low	31.8	Very low	101 Å²	101	143.3 Å²	143.3	84%	0.835	81%	0.812	S	S	*	*			trans	-59.6	120.3	158.5	0	0	0	0	0	110.3
22	V	31.6	Very low	32.4	Very low	133 Å²	133	145.5 Å²	145.5	81%	0.806	82%	0.815	S	S	*	*			trans	-113.4	98	156.9	-178	0	0	0	0	106.2	S20 G24	S20-V22 PolarHBondContact O-N 3.04Å; V22-G24 PolarHBondContact O-N 2.55Å
23	A	33.7	Very low	33.1	Very low	97 Å²	97	145.2 Å²	145.2	80%	0.802	81%	0.81	S	S	*	*			trans	-66.5	87.8	167.3	0	0	0	0	0	108.3	R25	A23-R25 PolarHBondContact O-N 3.11Å
24	G	28.8	Very low	34.3	Very low	62 Å²	62	140.2 Å²	140.2	64%	0.639	80%	0.796	S	S	*	*			trans	-67.4	107.9	164.7	0	0	0	0	0	108.2	V22 L26	V22-G24 PolarHBondContact O-N 2.55Å; G24-L26 PolarHBondContact O-N 2.76Å
25	R	31.6	Very low	36.9	Very low	247 Å²	247	138.7 Å²	138.7	93%	0.932	79%	0.794	S	S	*	*			trans	-55.7	102.3	170.8	-67.7	179.3	-171.6	-167.1	1.3	108	A23 G27	A23-R25 PolarHBondContact O-N 3.11Å; R25-G27 VanDerWaalsContact C-N 3.27Å; R25-G27 PolarHBondContact O-N 3.07Å
26	L	32.5	Very low	39.9	Very low	167 Å²	167	128.9 Å²	128.9	87%	0.874	76%	0.76	S	S	*	*			trans	-62.2	100	156.5	-85.7	152.2	0	0	0	105.4	G24 T28	G24-L26 PolarHBondContact O-N 2.76Å; L26-T28 PolarHBondContact O-N 3.42Å
27	G	29.3	Very low	43.1	Very low	67 Å²	67	131.1 Å²	131.1	69%	0.691	75%	0.749	S	S	*	*			trans	-55.2	108.9	166.9	0	0	0	0	0	107.1	R25 D29	R25-G27 VanDerWaalsContact C-N 3.27Å; R25-G27 PolarHBondContact O-N 3.07Å; G27-D29 PolarHBondContact O-N 2.71Å
28	T	33.9	Very low	46.1	Very low	119 Å²	119	127.6 Å²	127.6	73%	0.73	72%	0.721	S	S	*	*			trans	-60.5	96.9	158.1	46.9	0	0	0	0	105.7	L26 M30	L26-T28 PolarHBondContact O-N 3.42Å; T28-M30 PolarHBondContact O-N 3.14Å
29	D	35.7	Very low	49.2	Very low	160 Å²	160	119.4 Å²	119.4	86%	0.856	68%	0.683	S	S	*	*			trans	-64.1	83.7	154.7	-93	-26.6	0	0	0	105.8	G27 C31	G27-D29 PolarHBondContact O-N 2.71Å; D29-C31 PolarHBondContact O-N 3.07Å
30	M	35	Very low	52.4	Low	157 Å²	157	116 Å²	116	77%	0.773	65%	0.652	S	S	*	*			trans	-60.5	96.8	159.8	-68.7	-179.1	64.5	0	0	104.7	T28 K32	T28-M30 PolarHBondContact O-N 3.14Å; M30-K32 PolarHBondContact O-N 3.38Å
31	C	37	Very low	55.2	Low	119 Å²	119	112.7 Å²	112.7	80%	0.804	63%	0.626	S	S	*	*			trans	-47.9	100.1	158.8	-90.4	0	0	0	0	106	D29 E33	D29-C31 PolarHBondContact O-N 3.07Å; C31-E33 PolarHBondContact O-N 3.11Å
32	K	42.2	Very low	57.3	Low	194 Å²	194	111.6 Å²	111.6	84%	0.843	60%	0.601	S	S	*	*			trans	-60.4	108.6	171.2	-73.1	-178.9	179	177.3	0	104.7	M30	M30-K32 PolarHBondContact O-N 3.38Å
33	E	49.4	Very low	58.5	Low	160 Å²	160	110.1 Å²	110.1	75%	0.748	59%	0.594	S	S	*	*			trans	-50.7	125.6	173	-70.3	-179.9	167.1	0	0	107.3	C31 K35	C31-E33 PolarHBondContact O-N 3.11Å; E33-K35 PolarHBondContact O-N 3.35Å
34	P	55.3	Low	59.4	Low	72 Å²	72	109.7 Å²	109.7	47%	0.468	58%	0.583	S	S	.	*			trans	-61.6	119.1	177.9	23.7	-30	0	0	0	107.4	T36	P34-T36 PolarHBondContact O-N 3.2Å
35	K	83.1	Confident	60.4	Low	197 Å²	197	112.6 Å²	112.6	86%	0.857	59%	0.588	S	S	*	*			trans	-60.4	111.8	169	-173.2	178.5	-178.9	-178.1	0	107	E33 K37	E33-K35 PolarHBondContact O-N 3.35Å; K35-K37 PolarHBondContact O-N 3.33Å
36	T	94.1	Very high	60.9	Low	32 Å²	32	106 Å²	106	20%	0.196	58%	0.58	C	S	.	*	P	Polyproline II helix	trans	-49.8	130.8	179.1	-43.4	0	0	0	0	110.4	P34 W207 L210 V213	P34-T36 PolarHBondContact O-N 3.2Å; T36-W207 HydrophobicContact CG2-CB 4.19Å; T36-W207 VanDerWaalsContact OG1-C 3.24Å; T36-W207 PolarHBondContact OG1-O 3.19Å; T36-L210 HydrophobicContact CG2-CB 4.27Å; T36-L210 WeakPolarHBondContact CG2-O 3.23Å; T36-L210 PolarHBondContact OG1-O 3.26Å; T36-V213 HydrophobicContact CG2-CG2 3.7Å
37	K	95.7	Very high	61.3	Low	118 Å²	118	106 Å²	106	51%	0.513	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	119.3	173.8	-64.8	-176.7	-180	-177	0	109.8	K35 A211 V212 V213	K35-K37 PolarHBondContact O-N 3.33Å; K37-A211 PolarHBondContact N-O 3.16Å; K37-V212 HydrophobicContact CB-CG2 4.48Å; K37-V212 CarbonylContact O-C 3.51Å; K37-V212 VanDerWaalsContact O-CA 3.31Å; K37-V212 WeakPolarHBondContact O-CA 3.18Å; K37-V213 PolarHBondContact O-N 3.5Å
38	L	95.6	Very high	62	Low	54 Å²	54	105.6 Å²	105.6	28%	0.283	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	121.8	167.7	-177.2	65.9	0	0	0	108.7	W207 V213 D215	L38-W207 HydrophobicContact CD1-CH2 3.86Å; L38-W207 HydrophobicContact CD1-CZ2 4.25Å; L38-W207 HydrophobicContact CD1-CZ3 4.46Å; L38-W207 HydrophobicContact CD2-CH2 3.95Å; L38-W207 HydrophobicContact CD2-CZ3 4.31Å; L38-W207 HydrophobicContact CG-CH2 4.41Å; L38-V213 CarbonylContact C-O 3.51Å; L38-V213 WeakPolarHBondContact CA-O 3.1Å; L38-V213 HydrophobicContact CD1-CB 3.93Å; L38-V213 HydrophobicContact CD1-CG1 3.7Å; L38-D215 HydrophobicContact CD1-CB 4.05Å
39	L	95.2	Very high	62.4	Low	18 Å²	18	106.3 Å²	106.3	9%	0.094	58%	0.584	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.2	130.8	-179.7	-56.8	178	0	0	0	109	V62 C65 V212 V213 V214 D215	L39-V62 HydrophobicContact CB-CG1 3.81Å; L39-V62 HydrophobicContact CB-CG2 4.16Å; L39-V62 HydrophobicContact CD1-CG1 4.08Å; L39-C65 HydrophobicContact CD1-CB 3.79Å; L39-V212 HydrophobicContact CD1-CG1 3.6Å; L39-V212 HydrophobicContact CG-CG1 4.06Å; L39-V213 PolarHBondContact N-O 3.28Å; L39-V214 CarbonylContact O-C 3.58Å; L39-V214 WeakPolarHBondContact O-CA 3.25Å; L39-D215 PolarHBondContact O-N 3.03Å
40	R	94.1	Very high	62.9	Low	58 Å²	58	105.1 Å²	105.1	22%	0.219	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	139.6	-177.6	-54.3	-154.6	177.3	93.1	1.5	112.1	E54 D215	R40-E54 IonicContact CZ-OE1 3.08Å; R40-E54 IonicContact CZ-OE2 2.7Å; R40-E54 IonicContact NH1-OE1 3.86Å; R40-E54 IonicContact NH1-OE2 3.93Å; R40-E54 PolarHBondContact NH1-OE2 3.49Å; R40-E54 IonicContact NH2-OE1 3.88Å; R40-E54 PolarHBondContact NH2-OE1 3.19Å; R40-E54 IonicContact NH2-OE2 3.25Å; R40-E54 PolarHBondContact NH2-OE2 3.44Å; R40-D215 WeakPolarHBondContact CA-O 3.4Å; R40-D215 HydrophobicContact CG-CB 4.09Å; R40-D215 IonicContact NE-OD2 2.9Å
41	L	90.2	Very high	63	Low	34 Å²	34	103.1 Å²	103.1	18%	0.178	58%	0.579	C	S	.	*	S	Bend	trans	-88.4	-2.6	173.4	-61.4	179.4	0	0	0	113.4	V62 P79 F172 V214 D215	L41-V62 HydrophobicContact CD2-CB 4.1Å; L41-V62 HydrophobicContact CD2-CG1 3.72Å; L41-V62 HydrophobicContact CD2-CG2 4.4Å; L41-P79 HydrophobicContact CD1-CG 3.9Å; L41-F172 HydrophobicContact CD1-CB 3.95Å; L41-F172 HydrophobicContact CD1-CD1 4.41Å; L41-F172 HydrophobicContact CD1-CD2 4.12Å; L41-F172 HydrophobicContact CD1-CG 3.91Å; L41-F172 HydrophobicContact CD2-CD2 3.6Å; L41-F172 HydrophobicContact CD2-CE2 3.89Å; L41-F172 HydrophobicContact CD2-CG 4.26Å; L41-V214 HydrophobicContact CD1-CG1 3.85Å; L41-V214 HydrophobicContact CD2-CG1 3.96Å; L41-V214 HydrophobicContact CG-CG1 3.69Å; L41-D215 PolarHBondContact N-O 3.27Å
42	Y	78.6	Confident	63.2	Low	79 Å²	79	105 Å²	105	31%	0.31	58%	0.575	S	S	.	*	S	Bend	trans	-135.9	150.9	-179.3	61.1	-79	0	0	0	110.3	D215 G217	Y42-D215 PolarHBondContact OH-OD1 2.83Å; Y42-D215 PolarHBondContact OH-OD2 3.18Å; Y42-G217 VanDerWaalsContact CE1-CA 3.46Å
43	P	58.1	Low	63.2	Low	101 Å²	101	105.3 Å²	105.3	66%	0.656	58%	0.58	S	S	*	*			trans	-64.3	142.9	174.3	25.7	-32.3	0	0	0	110.2	T45	P43-T45 PolarHBondContact O-N 3.08Å
44	P	53.1	Low	63.1	Low	89 Å²	89	103.3 Å²	103.3	58%	0.578	57%	0.57	S	S	*	*			trans	-59.9	128.4	179	22.8	-31	0	0	0	110.3	S46	P44-S46 PolarHBondContact O-N 3.2Å
45	T	49.1	Very low	62.7	Low	122 Å²	122	105.8 Å²	105.8	75%	0.748	58%	0.584	S	S	*	*			trans	-65.9	115.5	169.5	50	0	0	0	0	108.1	P43 N47	P43-T45 PolarHBondContact O-N 3.08Å; T45-N47 VanDerWaalsContact C-N 3.31Å; T45-N47 PolarHBondContact O-N 3Å
46	S	42.1	Very low	61	Low	109 Å²	109	105 Å²	105	76%	0.762	58%	0.583	S	S	*	*	S	Bend	trans	-67.8	82.5	-179.6	56.9	0	0	0	0	111	P44	P44-S46 PolarHBondContact O-N 3.2Å
47	N	41.7	Very low	59.4	Low	167 Å²	167	105 Å²	105	89%	0.893	58%	0.584	S	S	*	*			trans	-160.8	78.5	165.2	-87.6	-28	0	0	0	110.1	T45	T45-N47 VanDerWaalsContact C-N 3.31Å; T45-N47 PolarHBondContact O-N 3Å
48	G	42.1	Very low	58.5	Low	59 Å²	59	104.4 Å²	104.4	61%	0.608	59%	0.586	S	S	*	*	S	Bend	trans	179	146	171.3	0	0	0	0	0	111.9	T50	G48-T50 PolarHBondContact O-N 2.98Å
49	P	43.5	Very low	57.8	Low	134 Å²	134	106 Å²	106	87%	0.87	60%	0.595	S	S	*	*			trans	-70.6	123.1	-177	27.8	-29	0	0	0	110.4	V51	P49-V51 PolarHBondContact O-N 3.27Å
50	T	45.7	Very low	57.5	Low	135 Å²	135	108.3 Å²	108.3	83%	0.828	61%	0.613	S	S	*	*			trans	-56.6	118.8	-177.5	-46.3	0	0	0	0	113	G48	G48-T50 PolarHBondContact O-N 2.98Å
51	V	37.9	Very low	57.4	Low	115 Å²	115	111.1 Å²	111.1	70%	0.697	63%	0.628	S	S	*	*			trans	-143.7	124	151.1	-167.3	0	0	0	0	110	P49	P49-V51 PolarHBondContact O-N 3.27Å
52	H	40.2	Very low	57.7	Low	158 Å²	158	109.5 Å²	109.5	73%	0.731	62%	0.62	S	S	*	*	S	Bend	trans	90.4	121.3	178.4	-55.8	-57.8	0	0	0	117	E54	H52-E54 PolarHBondContact O-N 3.43Å; H52-E54 VanDerWaalsContact O-N 3.15Å
53	Q	42.3	Very low	58.5	Low	201 Å²	201	106.6 Å²	106.6	94%	0.939	61%	0.61	S	S	*	*			trans	-56.7	109	-179.1	-72.8	172.1	-43.1	0	0	110.9
54	E	48.3	Very low	60.4	Low	117 Å²	117	104.6 Å²	104.6	55%	0.547	60%	0.598	S	S	.	*			trans	-110.2	116	174.8	-73.2	173	151.1	0	0	109.2	R40 H52 Q56	R40-E54 IonicContact CZ-OE1 3.08Å; R40-E54 IonicContact CZ-OE2 2.7Å; R40-E54 IonicContact NH1-OE1 3.86Å; R40-E54 IonicContact NH1-OE2 3.93Å; R40-E54 PolarHBondContact NH1-OE2 3.49Å; R40-E54 IonicContact NH2-OE1 3.88Å; R40-E54 PolarHBondContact NH2-OE1 3.19Å; R40-E54 IonicContact NH2-OE2 3.25Å; R40-E54 PolarHBondContact NH2-OE2 3.44Å; H52-E54 PolarHBondContact O-N 3.43Å; H52-E54 VanDerWaalsContact O-N 3.15Å; E54-Q56 PolarHBondContact O-N 2.91Å
55	T	45.5	Very low	62.5	Low	124 Å²	124	101.9 Å²	101.9	76%	0.761	58%	0.581	S	S	*	*			trans	-74.6	119.1	-176.6	-26.9	0	0	0	0	108.9	T57	T55-T57 PolarHBondContact O-N 3.4Å; T55-T57 VanDerWaalsContact O-N 3.15Å; T55-T57 PolarHBondContact O-OG1 3.21Å
56	Q	49	Very low	64.8	Low	180 Å²	180	96 Å²	96	84%	0.841	55%	0.545	S	S	*	.			trans	-53.1	117.6	167	-178.2	179.4	2.9	0	0	108.3	E54	E54-Q56 PolarHBondContact O-N 2.91Å
57	T	60	Low	67.5	Low	33 Å²	33	91.4 Å²	91.4	20%	0.202	51%	0.512	C	S	.	.			trans	-113.3	131.9	-174.9	-47.4	0	0	0	0	108.8	T55 E61 V62	T55-T57 PolarHBondContact O-N 3.4Å; T55-T57 VanDerWaalsContact O-N 3.15Å; T55-T57 PolarHBondContact O-OG1 3.21Å; T57-E61 HydrophobicContact CG2-CB 3.68Å; T57-E61 HydrophobicContact CG2-CG 3.64Å; T57-V62 HydrophobicContact CG2-CG2 3.51Å
58	D	75.8	Confident	70.2	Confident	106 Å²	106	89.3 Å²	89.3	57%	0.567	50%	0.495	S	S	*	.			trans	-65.9	140.7	171.4	176.1	6.2	0	0	0	109.5	S60 E61 V62	D58-S60 PolarHBondContact O-N 2.83Å; D58-S60 PolarHBondContact OD1-N 3.49Å; D58-S60 WeakPolarHBondContact OD2-CB 3.24Å; D58-E61 HydrophobicContact CB-CB 4.31Å; D58-E61 WeakPolarHBondContact O-CA 3.35Å; D58-E61 WeakPolarHBondContact O-CB 3.31Å; D58-E61 PolarHBondContact O-N 3.22Å; D58-V62 PolarHBondContact O-N 3.29Å
59	D	82.2	Confident	72.9	Confident	86 Å²	86	86.9 Å²	86.9	46%	0.46	47%	0.469	S	S	.	.	H	α-helix	trans	-49.2	-35.7	174.5	-79.6	-0.4	0	0	0	111.8	V62 L63	D59-V62 PolarHBondContact O-N 3.22Å; D59-L63 WeakPolarHBondContact O-CB 3.47Å; D59-L63 WeakPolarHBondContact O-CG 3.43Å; D59-L63 PolarHBondContact O-N 3.15Å
60	S	88.3	Confident	75.5	Confident	68 Å²	68	80.5 Å²	80.5	48%	0.476	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-39.8	174.9	-173.1	0	0	0	0	112.9	D58 S64	D58-S60 PolarHBondContact O-N 2.83Å; D58-S60 PolarHBondContact OD1-N 3.49Å; D58-S60 WeakPolarHBondContact OD2-CB 3.24Å; S60-S64 VanDerWaalsContact O-CB 3.31Å; S60-S64 WeakPolarHBondContact O-CB 3.4Å; S60-S64 PolarHBondContact O-N 3.1Å; S60-S64 PolarHBondContact O-OG 3.23Å
61	E	92.3	Very high	78	Confident	116 Å²	116	79.5 Å²	79.5	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-73.4	-39.5	177.3	-178	177.2	-166.9	0	0	111	T57 D58 L63 S64 C65	T57-E61 HydrophobicContact CG2-CB 3.68Å; T57-E61 HydrophobicContact CG2-CG 3.64Å; D58-E61 HydrophobicContact CB-CB 4.31Å; D58-E61 WeakPolarHBondContact O-CA 3.35Å; D58-E61 WeakPolarHBondContact O-CB 3.31Å; D58-E61 PolarHBondContact O-N 3.22Å; E61-L63 PolarHBondContact O-N 2.86Å; E61-S64 PolarHBondContact O-N 3.29Å; E61-C65 VanDerWaalsContact O-CB 3.26Å; E61-C65 WeakPolarHBondContact O-CB 3.11Å; E61-C65 PolarHBondContact O-N 2.94Å
62	V	95.8	Very high	80.9	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-58.9	-48.4	172.7	-178.4	0	0	0	0	110.5	L39 L41 T57 D58 D59 T66 F172 V214	L39-V62 HydrophobicContact CB-CG1 3.81Å; L39-V62 HydrophobicContact CB-CG2 4.16Å; L39-V62 HydrophobicContact CD1-CG1 4.08Å; L41-V62 HydrophobicContact CD2-CB 4.1Å; L41-V62 HydrophobicContact CD2-CG1 3.72Å; L41-V62 HydrophobicContact CD2-CG2 4.4Å; T57-V62 HydrophobicContact CG2-CG2 3.51Å; D58-V62 PolarHBondContact O-N 3.29Å; D59-V62 PolarHBondContact O-N 3.22Å; V62-T66 WeakPolarHBondContact O-CB 3.46Å; V62-T66 PolarHBondContact O-N 3.21Å; V62-T66 PolarHBondContact O-OG1 3.42Å; V62-F172 HydrophobicContact CB-CE2 4.47Å; V62-F172 HydrophobicContact CG1-CE2 3.82Å; V62-F172 HydrophobicContact CG1-CZ 4.22Å; V62-V214 HydrophobicContact CG1-CG1 3.93Å; V62-V214 HydrophobicContact CG1-CG2 4.21Å
63	L	96.4	Very high	83.6	Confident	19 Å²	19	71 Å²	71	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-57.8	-52.7	175.2	-85.1	167.7	0	0	0	111.2	D59 E61 C65 T66 V67 F172 R175 L176 M179	D59-L63 WeakPolarHBondContact O-CB 3.47Å; D59-L63 WeakPolarHBondContact O-CG 3.43Å; D59-L63 PolarHBondContact O-N 3.15Å; E61-L63 PolarHBondContact O-N 2.86Å; L63-C65 VanDerWaalsContact C-N 3.35Å; L63-C65 PolarHBondContact O-N 2.7Å; L63-T66 PolarHBondContact O-N 2.91Å; L63-V67 WeakPolarHBondContact O-CB 3.34Å; L63-V67 VanDerWaalsContact O-CG2 3.25Å; L63-V67 WeakPolarHBondContact O-CG2 3.31Å; L63-V67 PolarHBondContact O-N 2.89Å; L63-F172 HydrophobicContact CB-CE2 4.38Å; L63-F172 HydrophobicContact CD2-CD2 3.55Å; L63-F172 HydrophobicContact CD2-CE2 3.45Å; L63-F172 VanDerWaalsContact CD2-CE2 3.45Å; L63-F172 HydrophobicContact CD2-CG 4.29Å; L63-F172 HydrophobicContact CD2-CZ 4.12Å; L63-F172 HydrophobicContact CG-CD2 3.72Å; L63-F172 HydrophobicContact CG-CE2 3.6Å; L63-R175 HydrophobicContact CD1-CB 4.11Å; L63-R175 HydrophobicContact CD2-CB 4.12Å; L63-L176 HydrophobicContact CD2-CB 4.08Å; L63-L176 HydrophobicContact CD2-CD1 4.43Å; L63-M179 HydrophobicContact CB-SD 4.06Å; L63-M179 HydrophobicContact CD1-SD 4.35Å; L63-M179 HydrophobicContact CD2-SD 4.39Å
64	S	97.1	Very high	86.3	Confident	59 Å²	59	64.7 Å²	64.7	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-42.8	-177.2	-63	0	0	0	0	112.5	S60 E61 K68	S60-S64 VanDerWaalsContact O-CB 3.31Å; S60-S64 WeakPolarHBondContact O-CB 3.4Å; S60-S64 PolarHBondContact O-N 3.1Å; S60-S64 PolarHBondContact O-OG 3.23Å; E61-S64 PolarHBondContact O-N 3.29Å; S64-K68 WeakPolarHBondContact O-CB 3.38Å; S64-K68 PolarHBondContact O-N 3.18Å
65	C	97.3	Very high	88.6	Confident	31 Å²	31	59.4 Å²	59.4	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-64.1	-43.1	176.4	-170.8	0	0	0	0	111.6	L39 E61 L63 K68 A69	L39-C65 HydrophobicContact CD1-CB 3.79Å; E61-C65 VanDerWaalsContact O-CB 3.26Å; E61-C65 WeakPolarHBondContact O-CB 3.11Å; E61-C65 PolarHBondContact O-N 2.94Å; L63-C65 VanDerWaalsContact C-N 3.35Å; L63-C65 PolarHBondContact O-N 2.7Å; C65-K68 PolarHBondContact O-N 2.86Å; C65-A69 PolarHBondContact O-N 3.41Å
66	T	98.2	Very high	91.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-44	179.6	-52	0	0	0	0	111.5	V62 L63 K68 A69 L70 V76 V78 F172 L176 V214	V62-T66 WeakPolarHBondContact O-CB 3.46Å; V62-T66 PolarHBondContact O-N 3.21Å; V62-T66 PolarHBondContact O-OG1 3.42Å; L63-T66 PolarHBondContact O-N 2.91Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 2.81Å; T66-A69 PolarHBondContact O-N 2.88Å; T66-L70 HydrophobicContact CG2-CD1 4.36Å; T66-L70 WeakPolarHBondContact O-CG 3.39Å; T66-L70 PolarHBondContact O-N 3.34Å; T66-V76 HydrophobicContact CG2-CB 4.25Å; T66-V76 HydrophobicContact CG2-CG1 4.19Å; T66-V76 HydrophobicContact CG2-CG2 4Å; T66-V78 HydrophobicContact CG2-CG1 4.44Å; T66-F172 HydrophobicContact CG2-CZ 4.23Å; T66-L176 HydrophobicContact CG2-CD1 3.7Å; T66-L176 HydrophobicContact CG2-CD2 3.96Å; T66-L176 HydrophobicContact CG2-CG 4.5Å; T66-V214 HydrophobicContact CG2-CG2 4.16Å; T66-V214 WeakPolarHBondContact OG1-CG2 3.49Å
67	V	98.6	Very high	93.5	Very high	11 Å²	11	45 Å²	45	7%	0.067	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-44.3	174.4	171.8	0	0	0	0	110.6	L63 L70 K71 L176 M179	L63-V67 WeakPolarHBondContact O-CB 3.34Å; L63-V67 VanDerWaalsContact O-CG2 3.25Å; L63-V67 WeakPolarHBondContact O-CG2 3.31Å; L63-V67 PolarHBondContact O-N 2.89Å; V67-L70 PolarHBondContact O-N 3.26Å; V67-K71 HydrophobicContact CG1-CD 3.98Å; V67-K71 HydrophobicContact CG1-CG 4.4Å; V67-K71 WeakPolarHBondContact O-CB 3.43Å; V67-K71 WeakPolarHBondContact O-CG 3.23Å; V67-K71 PolarHBondContact O-N 3.06Å; V67-L176 HydrophobicContact CG2-CD1 3.66Å; V67-M179 HydrophobicContact CG1-CB 4.47Å; V67-M179 HydrophobicContact CG2-CB 3.58Å; V67-M179 HydrophobicContact CG2-CE 4.24Å; V67-M179 HydrophobicContact CG2-SD 4.29Å
68	K	98.4	Very high	95.3	Very high	124 Å²	124	43.4 Å²	43.4	54%	0.539	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-48.7	177.1	176.2	165.2	174.6	44.5	0	111.5	S64 C65 T66 L70 K71 D72	S64-K68 WeakPolarHBondContact O-CB 3.38Å; S64-K68 PolarHBondContact O-N 3.18Å; C65-K68 PolarHBondContact O-N 2.86Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 2.81Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 2.78Å; K68-K71 PolarHBondContact O-N 2.91Å; K68-D72 WeakPolarHBondContact CE-OD2 3.39Å; K68-D72 WeakPolarHBondContact CG-OD2 3.5Å; K68-D72 IonicContact NZ-OD1 3.49Å; K68-D72 PolarHBondContact NZ-OD1 2.59Å; K68-D72 IonicContact NZ-OD2 3.54Å; K68-D72 PolarHBondContact NZ-OD2 3.47Å; K68-D72 WeakPolarHBondContact O-CB 3.26Å; K68-D72 PolarHBondContact O-N 2.73Å
69	A	98.4	Very high	96.3	Very high	8 Å²	8	38.3 Å²	38.3	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-42.6	179.2	0	0	0	0	0	112.2	C65 T66 D72 G73 H74 V76 A211 V212	C65-A69 PolarHBondContact O-N 3.41Å; T66-A69 PolarHBondContact O-N 2.88Å; A69-D72 PolarHBondContact O-N 3.33Å; A69-G73 PolarHBondContact O-N 2.91Å; A69-H74 VanDerWaalsContact O-CB 3.28Å; A69-H74 WeakPolarHBondContact O-CB 3.46Å; A69-H74 PolarHBondContact O-CD2 3.2Å; A69-H74 PolarHBondContact O-N 3.21Å; A69-V76 HydrophobicContact CB-CG1 3.89Å; A69-A211 HydrophobicContact CB-CB 4.17Å; A69-V212 HydrophobicContact CB-CG2 3.73Å
70	L	98.6	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-49.6	175.3	-74.4	168.4	0	0	0	111.7	T66 V67 K68 D72 G73 V76 L89 L176 L184	T66-L70 HydrophobicContact CG2-CD1 4.36Å; T66-L70 WeakPolarHBondContact O-CG 3.39Å; T66-L70 PolarHBondContact O-N 3.34Å; V67-L70 PolarHBondContact O-N 3.26Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 2.78Å; L70-D72 VanDerWaalsContact C-N 3.27Å; L70-D72 PolarHBondContact O-N 2.71Å; L70-G73 WeakPolarHBondContact O-CA 3.37Å; L70-G73 PolarHBondContact O-N 3.44Å; L70-V76 HydrophobicContact CD1-CG2 4.29Å; L70-V76 HydrophobicContact CD2-CG1 4.35Å; L70-V76 HydrophobicContact CD2-CG2 3.75Å; L70-V76 HydrophobicContact CG-CG1 4.22Å; L70-V76 HydrophobicContact CG-CG2 4.01Å; L70-L89 HydrophobicContact CB-CD2 4.1Å; L70-L89 HydrophobicContact CB-CG 4.19Å; L70-L89 WeakPolarHBondContact O-CD1 3.48Å; L70-L89 WeakPolarHBondContact O-CG 3.18Å; L70-L176 HydrophobicContact CD1-CD1 3.85Å; L70-L176 HydrophobicContact CD1-CD2 4.04Å; L70-L176 HydrophobicContact CD1-CG 4.01Å; L70-L184 HydrophobicContact CD1-CD1 4.15Å; L70-L184 HydrophobicContact CD1-CD2 3.94Å; L70-L184 HydrophobicContact CD2-CD2 4.36Å
71	K	98.2	Very high	97.3	Very high	114 Å²	114	33.1 Å²	33.1	50%	0.496	17%	0.169	S	C	.	.	H	α-helix	trans	-63.2	-30.3	178.8	-73.5	-175.5	179.8	176.3	0	113.5	V67 K68 G73 M179	V67-K71 HydrophobicContact CG1-CD 3.98Å; V67-K71 HydrophobicContact CG1-CG 4.4Å; V67-K71 WeakPolarHBondContact O-CB 3.43Å; V67-K71 WeakPolarHBondContact O-CG 3.23Å; V67-K71 PolarHBondContact O-N 3.06Å; K68-K71 PolarHBondContact O-N 2.91Å; K71-G73 PolarHBondContact O-N 3.39Å; K71-M179 PolarHBondContact NZ-O 2.98Å; K71-M179 VanDerWaalsContact NZ-O 3.13Å
72	D	98	Very high	97.4	Very high	88 Å²	88	27.7 Å²	27.7	47%	0.471	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	2.4	172.9	-65.4	-16.6	0	0	0	112.5	K68 A69 L70	K68-D72 WeakPolarHBondContact CE-OD2 3.39Å; K68-D72 WeakPolarHBondContact CG-OD2 3.5Å; K68-D72 IonicContact NZ-OD1 3.49Å; K68-D72 PolarHBondContact NZ-OD1 2.59Å; K68-D72 IonicContact NZ-OD2 3.54Å; K68-D72 PolarHBondContact NZ-OD2 3.47Å; K68-D72 WeakPolarHBondContact O-CB 3.26Å; K68-D72 PolarHBondContact O-N 2.73Å; A69-D72 PolarHBondContact O-N 3.33Å; L70-D72 VanDerWaalsContact C-N 3.27Å; L70-D72 PolarHBondContact O-N 2.71Å
73	G	97.8	Very high	97.4	Very high	6 Å²	6	28.3 Å²	28.3	6%	0.062	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	21.5	175.1	0	0	0	0	0	114.6	A69 L70 K71 N92	A69-G73 PolarHBondContact O-N 2.91Å; L70-G73 WeakPolarHBondContact O-CA 3.37Å; L70-G73 PolarHBondContact O-N 3.44Å; K71-G73 PolarHBondContact O-N 3.39Å; G73-N92 WeakPolarHBondContact CA-ND2 3.41Å
74	H	97.9	Very high	97.4	Very high	69 Å²	69	27.4 Å²	27.4	32%	0.319	14%	0.143	S	C	.	.			trans	-93.4	164.5	177.5	-56.6	-66.3	0	0	0	113	A69 A211	A69-H74 VanDerWaalsContact O-CB 3.28Å; A69-H74 WeakPolarHBondContact O-CB 3.46Å; A69-H74 PolarHBondContact O-CD2 3.2Å; A69-H74 PolarHBondContact O-N 3.21Å; H74-A211 HydrophobicContact CB-CB 3.48Å; H74-A211 VanDerWaalsContact CB-CB 3.48Å
75	I	98.1	Very high	97.4	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.031	12%	0.124	C	C	.	.			trans	-95.4	139.2	172	-53.4	169.1	0	0	0	108.3	L86 A87 C88 K98 I99 V102 L210 A211	I75-L86 HydrophobicContact CG2-CB 4.11Å; I75-A87 WeakPolarHBondContact CA-O 3.45Å; I75-C88 HydrophobicContact CG1-CB 4.48Å; I75-K98 HydrophobicContact CD1-CB 3.69Å; I75-K98 HydrophobicContact CG1-CB 4.41Å; I75-I99 HydrophobicContact CD1-CB 4.45Å; I75-I99 HydrophobicContact CD1-CG1 3.72Å; I75-I99 HydrophobicContact CG1-CG1 3.82Å; I75-I99 HydrophobicContact CG2-CD1 4.39Å; I75-I99 HydrophobicContact CG2-CG1 4.05Å; I75-V102 HydrophobicContact CD1-CB 4.43Å; I75-V102 HydrophobicContact CD1-CG2 3.66Å; I75-L210 HydrophobicContact CB-CD2 4.01Å; I75-L210 HydrophobicContact CG2-CD2 3.58Å; I75-A211 PolarHBondContact O-N 3.39Å
76	V	98.4	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.5	175	-55.4	0	0	0	0	110.1	T66 A69 L70 V78 L86 A87 V212	T66-V76 HydrophobicContact CG2-CB 4.25Å; T66-V76 HydrophobicContact CG2-CG1 4.19Å; T66-V76 HydrophobicContact CG2-CG2 4Å; A69-V76 HydrophobicContact CB-CG1 3.89Å; L70-V76 HydrophobicContact CD1-CG2 4.29Å; L70-V76 HydrophobicContact CD2-CG1 4.35Å; L70-V76 HydrophobicContact CD2-CG2 3.75Å; L70-V76 HydrophobicContact CG-CG1 4.22Å; L70-V76 HydrophobicContact CG-CG2 4.01Å; V76-V78 HydrophobicContact CG2-CG1 3.9Å; V76-L86 CarbonylContact O-C 3.54Å; V76-L86 WeakPolarHBondContact O-CA 3.36Å; V76-A87 HydrophobicContact CG2-CB 4.02Å; V76-A87 PolarHBondContact N-O 2.69Å; V76-A87 PolarHBondContact O-N 3.2Å; V76-V212 CarbonylContact C-O 3.56Å; V76-V212 VanDerWaalsContact CA-O 3.25Å; V76-V212 WeakPolarHBondContact CA-O 3.39Å; V76-V212 HydrophobicContact CB-CB 4.2Å; V76-V212 HydrophobicContact CG1-CB 3.83Å; V76-V212 HydrophobicContact CG1-CG2 4.33Å
77	A	98.2	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.5	164.4	0	0	0	0	0	110.1	G85 L86 F203 L210 V212 V213 V214	A77-G85 CarbonylContact C-O 3.36Å; A77-G85 VanDerWaalsContact CA-O 3.27Å; A77-G85 WeakPolarHBondContact CA-O 3.45Å; A77-L86 HydrophobicContact CB-CD2 4.02Å; A77-F203 HydrophobicContact CB-CD2 4.49Å; A77-F203 HydrophobicContact CB-CE2 3.54Å; A77-F203 HydrophobicContact CB-CZ 3.92Å; A77-L210 HydrophobicContact CB-CD1 3.74Å; A77-V212 PolarHBondContact N-O 3.47Å; A77-V213 HydrophobicContact CB-CB 4.48Å; A77-V213 HydrophobicContact CB-CG1 4.3Å; A77-V213 HydrophobicContact CB-CG2 4.2Å; A77-V214 PolarHBondContact O-N 3.03Å
78	V	98	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.2	-173.3	-69.6	0	0	0	0	111.6	T66 V76 Y84 G85 A87 F172 M173 L176 L186 V214	T66-V78 HydrophobicContact CG2-CG1 4.44Å; V76-V78 HydrophobicContact CG2-CG1 3.9Å; V78-Y84 WeakPolarHBondContact O-CD1 3.48Å; V78-G85 PolarHBondContact N-O 3.39Å; V78-G85 PolarHBondContact O-N 2.96Å; V78-A87 HydrophobicContact CG2-CB 4.12Å; V78-F172 HydrophobicContact CG1-CE1 4Å; V78-M173 HydrophobicContact CB-SD 3.68Å; V78-M173 HydrophobicContact CG1-SD 4.25Å; V78-M173 HydrophobicContact CG2-CE 4.09Å; V78-M173 HydrophobicContact CG2-SD 3.44Å; V78-M173 WeakPolarHBondContact CG2-SD 3.2Å; V78-L176 HydrophobicContact CG1-CD2 3.98Å; V78-L186 HydrophobicContact CG2-CD1 4.23Å; V78-V214 HydrophobicContact CG1-CB 4.48Å; V78-V214 HydrophobicContact CG1-CG2 4.25Å
79	P	96.8	Very high	97.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.			trans	-72.4	152.7	171.5	31.9	-34.8	0	0	0	110.5	L41 Y84 M173 V214 I219	L41-P79 HydrophobicContact CD1-CG 3.9Å; P79-Y84 HydrophobicContact CB-CD1 4.44Å; P79-Y84 HydrophobicContact CB-CE1 3.83Å; P79-M173 WeakPolarHBondContact O-CG 3.49Å; P79-V214 WeakPolarHBondContact CD-O 3.33Å; P79-V214 HydrophobicContact CG-CG1 4.41Å; P79-I219 HydrophobicContact CB-CD1 4.33Å; P79-I219 HydrophobicContact CB-CG2 4.47Å
80	T	96.3	Very high	97.4	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.025	8%	0.084	C	C	.	.			trans	-133.2	177.6	168.7	77	0	0	0	0	109.7	T82 I83 L186 I219	T80-T82 PolarHBondContact O-N 3.3Å; T80-T82 PolarHBondContact OG1-N 3.13Å; T80-T82 PolarHBondContact OG1-OG1 3.48Å; T80-I83 WeakPolarHBondContact CB-O 3.47Å; T80-I83 WeakPolarHBondContact CG2-O 3.27Å; T80-I83 PolarHBondContact OG1-N 3.36Å; T80-I83 VanDerWaalsContact OG1-N 3.14Å; T80-I83 PolarHBondContact OG1-O 2.52Å; T80-L186 HydrophobicContact CG2-CD2 4.37Å; T80-I219 VanDerWaalsContact O-CD1 3.25Å; T80-I219 WeakPolarHBondContact O-CD1 3.47Å
81	D	94.1	Very high	97.4	Very high	40 Å²	40	19.4 Å²	19.4	21%	0.214	10%	0.096	C	C	.	.	S	Bend	trans	-70.8	3.4	169.1	56.5	-46	0	0	0	113.9	P141 R166 P168 D169	D81-P141 VanDerWaalsContact OD2-N 3.16Å; D81-R166 IonicContact OD1-CZ 2.93Å; D81-R166 IonicContact OD1-NE 2.71Å; D81-R166 IonicContact OD1-NH2 3.67Å; D81-R166 PolarHBondContact OD1-NH2 3.29Å; D81-R166 IonicContact OD2-CZ 3.55Å; D81-R166 IonicContact OD2-NH2 3.57Å; D81-R166 PolarHBondContact OD2-NH2 3.09Å; D81-P168 VanDerWaalsContact OD1-CA 3.22Å; D81-P168 WeakPolarHBondContact OD1-CA 3.44Å; D81-P168 WeakPolarHBondContact OD1-CB 3.18Å; D81-D169 HydrophobicContact CB-CB 4.16Å; D81-D169 PolarHBondContact OD1-N 3.1Å; D81-D169 PolarHBondContact OD2-N 3.32Å
82	T	94.7	Very high	97.4	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.018	8%	0.084	C	C	.	.	S	Bend	trans	-128.9	-69.3	179	44.7	0	0	0	0	112.8	T80 P141 R166 G220	T80-T82 PolarHBondContact O-N 3.3Å; T80-T82 PolarHBondContact OG1-N 3.13Å; T80-T82 PolarHBondContact OG1-OG1 3.48Å; T82-P141 HydrophobicContact CG2-CB 3.58Å; T82-R166 PolarHBondContact OG1-NH1 3.48Å; T82-R166 PolarHBondContact OG1-NH2 3.32Å; T82-G220 VanDerWaalsContact O-CA 3.23Å; T82-G220 WeakPolarHBondContact O-CA 3.32Å
83	I	95.8	Very high	97.4	Very high	13 Å²	13	13.8 Å²	13.8	7%	0.067	8%	0.075	C	C	.	.	S	Bend	trans	-146.2	161.7	-175.5	58.7	174.5	0	0	0	108.2	T80 T197 V198 I219	T80-I83 WeakPolarHBondContact CB-O 3.47Å; T80-I83 WeakPolarHBondContact CG2-O 3.27Å; T80-I83 PolarHBondContact OG1-N 3.36Å; T80-I83 VanDerWaalsContact OG1-N 3.14Å; T80-I83 PolarHBondContact OG1-O 2.52Å; I83-T197 CarbonylContact C-O 3.53Å; I83-T197 WeakPolarHBondContact CA-O 3.33Å; I83-T197 WeakPolarHBondContact CB-O 3.16Å; I83-V198 HydrophobicContact CG2-CG1 4.38Å; I83-I219 VanDerWaalsContact C-CD1 3.41Å
84	Y	97.1	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.			trans	-64.3	146.3	176.2	-87.5	-92.5	0	0	0	110.2	V78 P79 S188 A189 T197 V198 V200 F203 V214 G216 G217 I219	V78-Y84 WeakPolarHBondContact O-CD1 3.48Å; P79-Y84 HydrophobicContact CB-CD1 4.44Å; P79-Y84 HydrophobicContact CB-CE1 3.83Å; Y84-S188 CarbonylContact O-C 3.43Å; Y84-S188 WeakPolarHBondContact O-CA 3.28Å; Y84-A189 PolarHBondContact O-N 2.76Å; Y84-T197 PolarHBondContact N-O 2.96Å; Y84-V198 VanDerWaalsContact CE2-O 3.27Å; Y84-V198 WeakPolarHBondContact CE2-O 3.19Å; Y84-V200 HydrophobicContact CD1-CG1 4.36Å; Y84-V200 HydrophobicContact CE1-CG1 3.6Å; Y84-V200 HydrophobicContact CE2-CG1 4.48Å; Y84-F203 AromaticContact CD1-CE1 3.86Å; Y84-F203 HydrophobicContact CD1-CE1 3.86Å; Y84-F203 AromaticContact CD1-CZ 3.81Å; Y84-F203 HydrophobicContact CD1-CZ 3.81Å; Y84-F203 HydrophobicContact CD2-CE1 4.25Å; Y84-F203 HydrophobicContact CE1-CZ 4.44Å; Y84-F203 AromaticContact CG-CE1 3.66Å; Y84-F203 HydrophobicContact CG-CE1 3.66Å; Y84-F203 HydrophobicContact CG-CZ 4.1Å; Y84-V214 WeakPolarHBondContact CE1-O 3.33Å; Y84-G216 PolarHBondContact OH-N 2.88Å; Y84-G217 WeakPolarHBondContact CE2-O 3.48Å; Y84-G217 PolarHBondContact OH-N 2.88Å; Y84-G217 PolarHBondContact OH-O 3.18Å; Y84-I219 HydrophobicContact CD2-CD1 3.5Å; Y84-I219 HydrophobicContact CD2-CG1 3.78Å; Y84-I219 HydrophobicContact CE2-CD1 3.68Å; Y84-I219 HydrophobicContact CE2-CG1 3.69Å; Y84-I219 HydrophobicContact CG-CD1 4.1Å
85	G	96.9	Very high	97.4	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.7	-178.8	0	0	0	0	0	113.3	A77 V78 T187	A77-G85 CarbonylContact C-O 3.36Å; A77-G85 VanDerWaalsContact CA-O 3.27Å; A77-G85 WeakPolarHBondContact CA-O 3.45Å; V78-G85 PolarHBondContact N-O 3.39Å; V78-G85 PolarHBondContact O-N 2.96Å; G85-T187 CarbonylContact C-O 3.59Å; G85-T187 WeakPolarHBondContact CA-O 3.46Å
86	L	97.8	Very high	97.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132	160.6	-55.3	-174	0	0	0	109	I75 V76 A77 V102 K103 T187 A189 L206 L210	I75-L86 HydrophobicContact CG2-CB 4.11Å; V76-L86 CarbonylContact O-C 3.54Å; V76-L86 WeakPolarHBondContact O-CA 3.36Å; A77-L86 HydrophobicContact CB-CD2 4.02Å; L86-V102 HydrophobicContact CD1-CG1 3.86Å; L86-K103 HydrophobicContact CD1-CD 4.24Å; L86-K103 HydrophobicContact CD1-CG 3.93Å; L86-T187 HydrophobicContact CB-CG2 4.29Å; L86-T187 PolarHBondContact N-O 2.87Å; L86-T187 PolarHBondContact O-N 3.49Å; L86-T187 VanDerWaalsContact O-N 3.17Å; L86-A189 HydrophobicContact CD2-CB 3.89Å; L86-A189 HydrophobicContact CG-CB 4.26Å; L86-L206 HydrophobicContact CD1-CD1 4.33Å; L86-L210 HydrophobicContact CD2-CD1 4.01Å; L86-L210 HydrophobicContact CD2-CD2 3.87Å
87	A	98.4	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.2	-179.3	0	0	0	0	0	112.2	I75 V76 V78 L184 A185 L186	I75-A87 WeakPolarHBondContact CA-O 3.45Å; V76-A87 HydrophobicContact CG2-CB 4.02Å; V76-A87 PolarHBondContact N-O 2.69Å; V76-A87 PolarHBondContact O-N 3.2Å; V78-A87 HydrophobicContact CG2-CB 4.12Å; A87-L184 HydrophobicContact CB-CD1 4.49Å; A87-A185 VanDerWaalsContact CA-O 3.26Å; A87-A185 WeakPolarHBondContact CA-O 3.42Å; A87-L186 HydrophobicContact CB-CD1 4.1Å
88	C	98.5	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	169.9	164.8	77.6	0	0	0	0	109.5	I75 A90 A95 I99 L184 A185	I75-C88 HydrophobicContact CG1-CB 4.48Å; C88-A90 PolarHBondContact O-N 3.11Å; C88-A95 HydrophobicContact CB-CB 3.76Å; C88-A95 VanDerWaalsContact SG-C 3.56Å; C88-I99 HydrophobicContact CB-CD1 3.7Å; C88-I99 HydrophobicContact CB-CG1 4.21Å; C88-I99 WeakPolarHBondContact SG-CD1 3.14Å; C88-L184 CarbonylContact O-C 3.5Å; C88-L184 VanDerWaalsContact O-CA 3.26Å; C88-L184 WeakPolarHBondContact O-CA 3.28Å; C88-A185 PolarHBondContact N-O 2.88Å; C88-A185 PolarHBondContact O-N 3.44Å
89	L	98.6	Very high	96.9	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	124.1	170.6	-61.5	176.3	0	0	0	109.9	L70 Q91 N92 C180 E182 L184	L70-L89 HydrophobicContact CB-CD2 4.1Å; L70-L89 HydrophobicContact CB-CG 4.19Å; L70-L89 WeakPolarHBondContact O-CD1 3.48Å; L70-L89 WeakPolarHBondContact O-CG 3.18Å; L89-Q91 PolarHBondContact O-N 3.43Å; L89-N92 HydrophobicContact CB-CB 4.01Å; L89-N92 PolarHBondContact O-N 3.02Å; L89-C180 HydrophobicContact CD2-CB 4.05Å; L89-E182 WeakPolarHBondContact CD1-OE1 3.24Å; L89-E182 HydrophobicContact CD2-CG 3.77Å; L89-E182 WeakPolarHBondContact CD2-OE1 3.4Å; L89-L184 HydrophobicContact CD2-CD2 3.72Å
90	A	98.3	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.1	-179.2	0	0	0	0	0	112.2	C88 N92 I113 N153 L156 P183 A185	C88-A90 PolarHBondContact O-N 3.11Å; A90-N92 VanDerWaalsContact C-N 3.3Å; A90-I113 HydrophobicContact CB-CG2 4.1Å; A90-N153 WeakPolarHBondContact O-CB 3.49Å; A90-N153 PolarHBondContact O-ND2 3.07Å; A90-L156 HydrophobicContact CB-CD2 4.14Å; A90-P183 HydrophobicContact CB-CB 4.3Å; A90-P183 HydrophobicContact CB-CG 4.1Å; A90-P183 WeakPolarHBondContact CB-O 3.46Å; A90-P183 PolarHBondContact N-O 3.29Å; A90-A185 HydrophobicContact CB-CB 4.1Å
91	Q	97.9	Very high	96.5	Very high	57 Å²	57	33 Å²	33	27%	0.266	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-13.8	178.9	-58.8	-67.7	85	0	0	113.1	L89 S93 K151 N153 E182	L89-Q91 PolarHBondContact O-N 3.43Å; Q91-S93 PolarHBondContact O-N 3.01Å; Q91-K151 PolarHBondContact NE2-O 2.84Å; Q91-N153 PolarHBondContact O-ND2 3.15Å; Q91-E182 WeakPolarHBondContact CB-OE2 3.42Å; Q91-E182 HydrophobicContact CG-CB 4.41Å; Q91-E182 VanDerWaalsContact CG-OE2 3.25Å; Q91-E182 WeakPolarHBondContact CG-OE2 3.42Å
92	N	98.4	Very high	96.2	Very high	44 Å²	44	31.6 Å²	31.6	24%	0.235	15%	0.151	C	C	.	.			trans	-91	101.8	177.6	-174.9	-31.7	0	0	0	110.5	G73 L89 A90 E94 A95 V96	G73-N92 WeakPolarHBondContact CA-ND2 3.41Å; L89-N92 HydrophobicContact CB-CB 4.01Å; L89-N92 PolarHBondContact O-N 3.02Å; A90-N92 VanDerWaalsContact C-N 3.3Å; N92-E94 VanDerWaalsContact C-N 3.3Å; N92-E94 PolarHBondContact O-N 3.46Å; N92-E94 PolarHBondContact OD1-N 2.9Å; N92-E94 VanDerWaalsContact OD1-N 3.1Å; N92-A95 HydrophobicContact CB-CB 3.91Å; N92-A95 PolarHBondContact O-N 2.99Å; N92-A95 PolarHBondContact OD1-N 3.47Å; N92-V96 WeakPolarHBondContact O-CG2 3.32Å; N92-V96 PolarHBondContact O-N 3.32Å
93	S	97.8	Very high	95.7	Very high	40 Å²	40	31.6 Å²	31.6	28%	0.28	15%	0.151	S	C	.	.	H	α-helix	trans	-61.9	-33.6	-177.4	-49.8	0	0	0	0	113.7	Q91 K97 N153 N155	Q91-S93 PolarHBondContact O-N 3.01Å; S93-K97 WeakPolarHBondContact O-CB 3.25Å; S93-K97 PolarHBondContact O-N 3.32Å; S93-N153 PolarHBondContact N-ND2 2.81Å; S93-N153 PolarHBondContact OG-ND2 3.28Å; S93-N153 VanDerWaalsContact OG-ND2 3.12Å; S93-N153 PolarHBondContact OG-OD1 2.68Å; S93-N155 WeakPolarHBondContact CB-ND2 3.2Å; S93-N155 PolarHBondContact OG-ND2 3.06Å
94	E	97.8	Very high	95.2	Very high	138 Å²	138	37.9 Å²	37.9	65%	0.645	18%	0.18	S	C	*	.	H	α-helix	trans	-68.8	-42.7	177	-63.8	-170.5	156.4	0	0	111.3	N92 K97 K98	N92-E94 VanDerWaalsContact C-N 3.3Å; N92-E94 PolarHBondContact O-N 3.46Å; N92-E94 PolarHBondContact OD1-N 2.9Å; N92-E94 VanDerWaalsContact OD1-N 3.1Å; E94-K97 WeakPolarHBondContact O-CB 3.45Å; E94-K97 PolarHBondContact O-N 3.48Å; E94-K98 WeakPolarHBondContact O-CG 3.43Å; E94-K98 PolarHBondContact O-N 2.76Å
95	A	97.5	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.6	-40.7	177.6	0	0	0	0	0	111.7	C88 N92 K97 K98 I99	C88-A95 HydrophobicContact CB-CB 3.76Å; C88-A95 VanDerWaalsContact SG-C 3.56Å; N92-A95 HydrophobicContact CB-CB 3.91Å; N92-A95 PolarHBondContact O-N 2.99Å; N92-A95 PolarHBondContact OD1-N 3.47Å; A95-K97 VanDerWaalsContact C-N 3.35Å; A95-K97 PolarHBondContact O-N 3.09Å; A95-K98 PolarHBondContact O-N 3.02Å; A95-I99 PolarHBondContact O-N 3.45Å
96	V	97.1	Very high	93.9	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-46	173.1	169.6	0	0	0	0	110.8	N92 K98 I99 Y100 L111 L156 A185	N92-V96 WeakPolarHBondContact O-CG2 3.32Å; N92-V96 PolarHBondContact O-N 3.32Å; V96-K98 PolarHBondContact O-N 2.87Å; V96-I99 PolarHBondContact O-N 3.19Å; V96-Y100 HydrophobicContact CG1-CD2 4.19Å; V96-Y100 HydrophobicContact CG1-CE2 3.95Å; V96-Y100 WeakPolarHBondContact O-CD2 3.37Å; V96-Y100 PolarHBondContact O-N 3.48Å; V96-L111 HydrophobicContact CG1-CD1 4.25Å; V96-L156 HydrophobicContact CG1-CD1 4.07Å; V96-L156 HydrophobicContact CG2-CD1 3.91Å; V96-A185 HydrophobicContact CG2-CB 4.42Å
97	K	95.6	Very high	93.1	Very high	130 Å²	130	45.9 Å²	45.9	57%	0.565	23%	0.226	S	C	*	.	H	α-helix	trans	-58.6	-46.7	176.2	-173.1	-170.8	178.5	-157.3	0	111.3	S93 E94 A95 I99 Y100 E101	S93-K97 WeakPolarHBondContact O-CB 3.25Å; S93-K97 PolarHBondContact O-N 3.32Å; E94-K97 WeakPolarHBondContact O-CB 3.45Å; E94-K97 PolarHBondContact O-N 3.48Å; A95-K97 VanDerWaalsContact C-N 3.35Å; A95-K97 PolarHBondContact O-N 3.09Å; K97-I99 VanDerWaalsContact C-N 3.3Å; K97-I99 PolarHBondContact O-N 2.75Å; K97-Y100 WeakPolarHBondContact O-CB 3.5Å; K97-Y100 PolarHBondContact O-N 2.93Å; K97-Y100 VanDerWaalsContact O-N 3.11Å; K97-E101 WeakPolarHBondContact CE-OE1 3.43Å; K97-E101 IonicContact NZ-OE1 3.44Å; K97-E101 PolarHBondContact O-N 2.78Å; K97-E101 VanDerWaalsContact O-N 3.11Å
98	K	95.3	Very high	92.4	Very high	84 Å²	84	52.4 Å²	52.4	37%	0.365	26%	0.257	S	S	.	.	H	α-helix	trans	-58.2	-39.5	176.4	-68.9	170.7	-171.7	170.3	0	111.7	I75 E94 A95 V96 Y100 E101 V102	I75-K98 HydrophobicContact CD1-CB 3.69Å; I75-K98 HydrophobicContact CG1-CB 4.41Å; E94-K98 WeakPolarHBondContact O-CG 3.43Å; E94-K98 PolarHBondContact O-N 2.76Å; A95-K98 PolarHBondContact O-N 3.02Å; V96-K98 PolarHBondContact O-N 2.87Å; K98-Y100 VanDerWaalsContact C-N 3.32Å; K98-Y100 PolarHBondContact O-N 2.83Å; K98-E101 WeakPolarHBondContact O-CB 3.5Å; K98-E101 PolarHBondContact O-N 3.47Å; K98-V102 VanDerWaalsContact O-CG2 3.3Å; K98-V102 WeakPolarHBondContact O-CG2 3.26Å; K98-V102 PolarHBondContact O-N 3.38Å
99	I	93.9	Very high	92	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-43.4	176	-78	-168.8	0	0	0	111.7	I75 C88 A95 V96 K97 E101 V102 K103 L111 T187	I75-I99 HydrophobicContact CD1-CB 4.45Å; I75-I99 HydrophobicContact CD1-CG1 3.72Å; I75-I99 HydrophobicContact CG1-CG1 3.82Å; I75-I99 HydrophobicContact CG2-CD1 4.39Å; I75-I99 HydrophobicContact CG2-CG1 4.05Å; C88-I99 HydrophobicContact CB-CD1 3.7Å; C88-I99 HydrophobicContact CB-CG1 4.21Å; C88-I99 WeakPolarHBondContact SG-CD1 3.14Å; A95-I99 PolarHBondContact O-N 3.45Å; V96-I99 PolarHBondContact O-N 3.19Å; K97-I99 VanDerWaalsContact C-N 3.3Å; K97-I99 PolarHBondContact O-N 2.75Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.25Å; I99-V102 PolarHBondContact O-N 3.11Å; I99-K103 HydrophobicContact CG2-CD 4.38Å; I99-K103 PolarHBondContact O-N 2.98Å; I99-K103 VanDerWaalsContact O-N 3.16Å; I99-L111 HydrophobicContact CG2-CD1 3.9Å; I99-L111 HydrophobicContact CG2-CD2 4.06Å; I99-T187 HydrophobicContact CG2-CG2 3.93Å
100	Y	92.8	Very high	91.7	Very high	27 Å²	27	59.6 Å²	59.6	11%	0.106	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-41	177.1	-80.4	-79.9	0	0	0	111.9	V96 K97 K98 E104 R105 K109 L111 N157	V96-Y100 HydrophobicContact CG1-CD2 4.19Å; V96-Y100 HydrophobicContact CG1-CE2 3.95Å; V96-Y100 WeakPolarHBondContact O-CD2 3.37Å; V96-Y100 PolarHBondContact O-N 3.48Å; K97-Y100 WeakPolarHBondContact O-CB 3.5Å; K97-Y100 PolarHBondContact O-N 2.93Å; K97-Y100 VanDerWaalsContact O-N 3.11Å; K98-Y100 VanDerWaalsContact C-N 3.32Å; K98-Y100 PolarHBondContact O-N 2.83Å; Y100-E104 PolarHBondContact O-N 3.48Å; Y100-E104 VanDerWaalsContact O-N 3.14Å; Y100-R105 HydrophobicContact CD1-CB 3.81Å; Y100-R105 HydrophobicContact CD1-CG 3.79Å; Y100-R105 HydrophobicContact CE1-CB 4.43Å; Y100-R105 HydrophobicContact CE1-CG 3.89Å; Y100-R105 PolarHBondContact O-N 2.7Å; Y100-K109 WeakPolarHBondContact CE1-O 3.3Å; Y100-K109 PolarHBondContact OH-O 2.86Å; Y100-L111 HydrophobicContact CD2-CD1 4.31Å; Y100-L111 HydrophobicContact CE2-CD1 3.72Å; Y100-L111 HydrophobicContact CE2-CG 4.02Å; Y100-N157 PolarHBondContact OH-OD1 3.43Å
101	E	91.9	Very high	91.6	Very high	106 Å²	106	59.8 Å²	59.8	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-64.7	-47.3	176.4	-66.9	168.7	-179.4	0	0	111.8	K97 K98 I99 K103 E104	K97-E101 WeakPolarHBondContact CE-OE1 3.43Å; K97-E101 IonicContact NZ-OE1 3.44Å; K97-E101 PolarHBondContact O-N 2.78Å; K97-E101 VanDerWaalsContact O-N 3.11Å; K98-E101 WeakPolarHBondContact O-CB 3.5Å; K98-E101 PolarHBondContact O-N 3.47Å; I99-E101 VanDerWaalsContact C-N 3.33Å; I99-E101 PolarHBondContact O-N 3.25Å; E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 2.96Å; E101-E104 PolarHBondContact O-N 2.9Å
102	V	88.8	Confident	91.6	Very high	11 Å²	11	58.2 Å²	58.2	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-39.9	179.2	170.3	0	0	0	0	111.7	I75 L86 K98 I99 L206 K209	I75-V102 HydrophobicContact CD1-CB 4.43Å; I75-V102 HydrophobicContact CD1-CG2 3.66Å; L86-V102 HydrophobicContact CD1-CG1 3.86Å; K98-V102 VanDerWaalsContact O-CG2 3.3Å; K98-V102 WeakPolarHBondContact O-CG2 3.26Å; K98-V102 PolarHBondContact O-N 3.38Å; I99-V102 PolarHBondContact O-N 3.11Å; V102-L206 HydrophobicContact CG1-CD2 4.19Å; V102-K209 HydrophobicContact CB-CD 4.28Å; V102-K209 HydrophobicContact CG1-CB 4.24Å; V102-K209 HydrophobicContact CG1-CD 4Å; V102-K209 HydrophobicContact CG2-CB 3.77Å; V102-K209 HydrophobicContact CG2-CD 3.95Å; V102-K209 HydrophobicContact CG2-CG 4.43Å
103	K	83.8	Confident	91.6	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-4.7	-176.7	-73.3	-176.3	66.2	76	0	114.9	L86 I99 E101 R105 T187 S188 N190 S192	L86-K103 HydrophobicContact CD1-CD 4.24Å; L86-K103 HydrophobicContact CD1-CG 3.93Å; I99-K103 HydrophobicContact CG2-CD 4.38Å; I99-K103 PolarHBondContact O-N 2.98Å; I99-K103 VanDerWaalsContact O-N 3.16Å; E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 2.96Å; K103-R105 HydrophobicContact CB-CB 3.9Å; K103-R105 PolarHBondContact O-N 3.24Å; K103-R105 VanDerWaalsContact O-N 3.16Å; K103-T187 HydrophobicContact CD-CG2 3.29Å; K103-T187 VanDerWaalsContact CE-OG1 3.31Å; K103-T187 WeakPolarHBondContact CE-OG1 3.4Å; K103-S188 PolarHBondContact NZ-O 2.83Å; K103-S188 PolarHBondContact NZ-OG 3.17Å; K103-N190 PolarHBondContact NZ-O 2.77Å; K103-S192 WeakPolarHBondContact O-CB 3.26Å; K103-S192 PolarHBondContact O-N 2.81Å; K103-S192 VanDerWaalsContact O-N 3.08Å
104	E	85.8	Confident	91.6	Very high	145 Å²	145	54.2 Å²	54.2	68%	0.678	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	38.9	-168.6	-60.7	177	-166.9	0	0	111.1	Y100 E101	Y100-E104 PolarHBondContact O-N 3.48Å; Y100-E104 VanDerWaalsContact O-N 3.14Å; E101-E104 PolarHBondContact O-N 2.9Å
105	R	82.4	Confident	91.6	Very high	52 Å²	52	47.8 Å²	47.8	20%	0.196	24%	0.237	C	C	.	.			trans	-86.3	134	-171.5	-179.3	-179.8	-176.4	84.6	-11.9	109.4	Y100 K103 G107 K109 P110	Y100-R105 HydrophobicContact CD1-CB 3.81Å; Y100-R105 HydrophobicContact CD1-CG 3.79Å; Y100-R105 HydrophobicContact CE1-CB 4.43Å; Y100-R105 HydrophobicContact CE1-CG 3.89Å; Y100-R105 PolarHBondContact O-N 2.7Å; K103-R105 HydrophobicContact CB-CB 3.9Å; K103-R105 PolarHBondContact O-N 3.24Å; K103-R105 VanDerWaalsContact O-N 3.16Å; R105-G107 PolarHBondContact O-N 2.9Å; R105-K109 HydrophobicContact CG-CB 4.29Å; R105-K109 VanDerWaalsContact CZ-CB 3.42Å; R105-K109 PolarHBondContact NE-O 3.18Å; R105-K109 PolarHBondContact NH2-O 3.3Å; R105-P110 PolarHBondContact NH2-O 3.01Å
106	N	83.7	Confident	91.6	Very high	88 Å²	88	47.8 Å²	47.8	47%	0.471	24%	0.237	S	C	.	.			trans	-56.6	122.2	167.7	-178.8	-24.3	0	0	0	109.9	Q108 K109	N106-Q108 PolarHBondContact O-N 2.92Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.29Å; N106-Q108 WeakPolarHBondContact OD1-CG 3.38Å; N106-Q108 PolarHBondContact OD1-N 3.11Å; N106-K109 HydrophobicContact CB-CG 4.36Å; N106-K109 WeakPolarHBondContact O-CB 3.36Å; N106-K109 PolarHBondContact O-N 2.78Å
107	G	80.9	Confident	91.6	Very high	31 Å²	31	51.9 Å²	51.9	32%	0.32	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.3	-179.5	0	0	0	0	0	114.9	R105	R105-G107 PolarHBondContact O-N 2.9Å
108	Q	84.5	Confident	91.7	Very high	137 Å²	137	47.3 Å²	47.3	64%	0.64	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.6	173.8	-61.3	-176	11.7	0	0	113.3	N106 P110 F159	N106-Q108 PolarHBondContact O-N 2.92Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.29Å; N106-Q108 WeakPolarHBondContact OD1-CG 3.38Å; N106-Q108 PolarHBondContact OD1-N 3.11Å; Q108-P110 VanDerWaalsContact O-CD 3.26Å; Q108-P110 WeakPolarHBondContact O-CD 3.36Å; Q108-F159 HydrophobicContact CG-CD2 4.11Å; Q108-F159 HydrophobicContact CG-CE2 4.38Å
109	K	88.4	Confident	91.8	Very high	93 Å²	93	48.4 Å²	48.4	40%	0.404	24%	0.244	S	C	.	.	S	Bend	trans	-79.5	112	177.8	-67.1	-172.5	177.6	-178.2	0	109	Y100 R105 N106	Y100-K109 WeakPolarHBondContact CE1-O 3.3Å; Y100-K109 PolarHBondContact OH-O 2.86Å; R105-K109 HydrophobicContact CG-CB 4.29Å; R105-K109 VanDerWaalsContact CZ-CB 3.42Å; R105-K109 PolarHBondContact NE-O 3.18Å; R105-K109 PolarHBondContact NH2-O 3.3Å; N106-K109 HydrophobicContact CB-CG 4.36Å; N106-K109 WeakPolarHBondContact O-CB 3.36Å; N106-K109 PolarHBondContact O-N 2.78Å
110	P	93.1	Very high	92	Very high	64 Å²	64	49.9 Å²	49.9	42%	0.416	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-67.2	150.2	-173.2	27.2	-34.4	0	0	0	112.1	R105 Q108 N157 T160	R105-P110 PolarHBondContact NH2-O 3.01Å; Q108-P110 VanDerWaalsContact O-CD 3.26Å; Q108-P110 WeakPolarHBondContact O-CD 3.36Å; P110-N157 WeakPolarHBondContact CA-OD1 3.49Å; P110-N157 HydrophobicContact CB-CB 4.11Å; P110-T160 HydrophobicContact CB-CG2 4.22Å
111	L	95.8	Very high	92.2	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-86.8	145.9	165	-59.6	174.9	0	0	0	109.4	V96 I99 Y100 L156 N157 A185 T187	V96-L111 HydrophobicContact CG1-CD1 4.25Å; I99-L111 HydrophobicContact CG2-CD1 3.9Å; I99-L111 HydrophobicContact CG2-CD2 4.06Å; Y100-L111 HydrophobicContact CD2-CD1 4.31Å; Y100-L111 HydrophobicContact CE2-CD1 3.72Å; Y100-L111 HydrophobicContact CE2-CG 4.02Å; L111-L156 HydrophobicContact CB-CD1 4.33Å; L111-L156 HydrophobicContact CD1-CD1 4.31Å; L111-N157 PolarHBondContact N-OD1 3.28Å; L111-N157 PolarHBondContact O-ND2 2.79Å; L111-A185 HydrophobicContact CD1-CB 4.17Å; L111-T187 HydrophobicContact CD2-CG2 3.9Å
112	A	97.5	Very high	92.5	Very high	24 Å²	24	47.8 Å²	47.8	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	159.8	166.6	0	0	0	0	0	109.5	T143 G164 A185 L186	A112-T143 HydrophobicContact CB-CG2 4.02Å; A112-G164 CarbonylContact C-O 3.47Å; A112-G164 VanDerWaalsContact CA-O 3.29Å; A112-G164 WeakPolarHBondContact CA-O 3.45Å; A112-A185 WeakPolarHBondContact O-CA 3.26Å; A112-L186 PolarHBondContact N-O 3.2Å; A112-L186 PolarHBondContact O-N 2.86Å
113	I	98.6	Very high	92.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	152.5	166.5	64.4	171.8	0	0	0	110.8	A90 Y124 L152 L156 V163 G164 V165 R166 P183 L184	A90-I113 HydrophobicContact CB-CG2 4.1Å; I113-Y124 HydrophobicContact CD1-CG 4.33Å; I113-L152 HydrophobicContact CD1-CD1 4.33Å; I113-L152 HydrophobicContact CG2-CD1 4.34Å; I113-L156 HydrophobicContact CG2-CD2 3.59Å; I113-V163 HydrophobicContact CD1-CG2 4.28Å; I113-V163 HydrophobicContact CG1-CG2 4.05Å; I113-V163 HydrophobicContact CG2-CG2 4.1Å; I113-G164 WeakPolarHBondContact CG1-O 3.41Å; I113-G164 PolarHBondContact N-O 3.29Å; I113-V165 HydrophobicContact CD1-CB 4.35Å; I113-V165 HydrophobicContact CD1-CG2 4.25Å; I113-V165 HydrophobicContact CG1-CB 3.91Å; I113-V165 HydrophobicContact CG1-CG2 3.98Å; I113-V165 CarbonylContact O-C 3.56Å; I113-V165 WeakPolarHBondContact O-CA 3.23Å; I113-R166 PolarHBondContact O-N 2.68Å; I113-P183 HydrophobicContact CB-CB 4.15Å; I113-P183 HydrophobicContact CD1-CB 4.19Å; I113-L184 CarbonylContact C-O 3.55Å; I113-L184 WeakPolarHBondContact CA-O 3.39Å
114	C	97.8	Very high	93.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.4	175.1	-178.2	0	0	0	0	109	R166 P168 M173 C177 P183 L184 L186	C114-R166 VanDerWaalsContact CA-O 3.3Å; C114-R166 WeakPolarHBondContact CA-O 3.48Å; C114-P168 WeakPolarHBondContact SG-CD 3.49Å; C114-P168 VanDerWaalsContact SG-CG 3.51Å; C114-M173 HydrophobicContact CB-CE 4.5Å; C114-C177 PolarHBondContact SG-SG 3.47Å; C114-P183 WeakPolarHBondContact O-CA 3.42Å; C114-L184 HydrophobicContact CB-CB 4.34Å; C114-L184 PolarHBondContact N-O 2.93Å; C114-L184 PolarHBondContact O-N 2.7Å; C114-L186 HydrophobicContact CB-CB 4.18Å; C114-L186 HydrophobicContact CB-CD2 4.06Å
115	V	98.6	Very high	94.2	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.224	C	C	.	.			trans	-128.1	166.8	175.6	-61.9	0	0	0	0	110.8	D120 I121 Y124 V165 R166 I167 P183	V115-D120 HydrophobicContact CB-CB 3.68Å; V115-D120 HydrophobicContact CG1-CB 4Å; V115-D120 HydrophobicContact CG2-CB 3.99Å; V115-I121 HydrophobicContact CG2-CG1 3.7Å; V115-Y124 HydrophobicContact CG1-CD2 4.28Å; V115-V165 HydrophobicContact CG2-CG2 3.99Å; V115-R166 PolarHBondContact N-O 3.39Å; V115-R166 VanDerWaalsContact N-O 3.09Å; V115-I167 HydrophobicContact CG2-CD1 4.24Å; V115-I167 HydrophobicContact CG2-CG1 3.75Å; V115-P183 HydrophobicContact CG1-CB 3.92Å
116	G	97.1	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-86.2	-30.6	-173.3	0	0	0	0	0	114.3	R174	G116-R174 PolarHBondContact O-NE 3.37Å
117	E	97.3	Very high	95.6	Very high	89 Å²	89	44.2 Å²	44.2	42%	0.416	22%	0.222	S	C	.	.	S	Bend	trans	-149.5	163.7	-176.5	61.8	-171.4	173.2	0	0	112.9	Q119 D120	E117-Q119 VanDerWaalsContact C-N 3.25Å; E117-Q119 PolarHBondContact O-N 3.45Å; E117-D120 WeakPolarHBondContact O-CB 3.18Å; E117-D120 PolarHBondContact O-N 3.46Å
118	I	98	Very high	96.3	Very high	35 Å²	35	46.9 Å²	46.9	18%	0.179	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-36.8	-174.4	-71	172	0	0	0	111.6	D120 I121 Y122 L134 I167	I118-D120 PolarHBondContact O-N 3.23Å; I118-I121 VanDerWaalsContact O-CB 3.24Å; I118-I121 WeakPolarHBondContact O-CB 3.18Å; I118-I121 WeakPolarHBondContact O-CG1 3.22Å; I118-I121 PolarHBondContact O-N 3.15Å; I118-Y122 HydrophobicContact CG2-CE2 4.06Å; I118-L134 HydrophobicContact CD1-CB 4.29Å; I118-L134 HydrophobicContact CG1-CB 4.48Å; I118-L134 HydrophobicContact CG2-CB 4.06Å; I118-L134 HydrophobicContact CG2-CD1 3.82Å; I118-I167 HydrophobicContact CB-CD1 4.49Å; I118-I167 HydrophobicContact CG1-CD1 3.84Å
119	Q	97.2	Very high	96.9	Very high	106 Å²	106	41.6 Å²	41.6	50%	0.495	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-31	-178.3	-60.4	-55.5	-22.6	0	0	112.5	E117 I121 Y122 E131	E117-Q119 VanDerWaalsContact C-N 3.25Å; E117-Q119 PolarHBondContact O-N 3.45Å; Q119-I121 PolarHBondContact O-N 3.44Å; Q119-Y122 PolarHBondContact O-N 3.15Å; Q119-E131 PolarHBondContact NE2-OE1 3.29Å
120	D	97.3	Very high	97.3	Very high	32 Å²	32	44.3 Å²	44.3	17%	0.171	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-27.8	175.6	-68.4	-33.8	0	0	0	112.9	V115 E117 I118 Y122 Q123 Y124	V115-D120 HydrophobicContact CB-CB 3.68Å; V115-D120 HydrophobicContact CG1-CB 4Å; V115-D120 HydrophobicContact CG2-CB 3.99Å; E117-D120 WeakPolarHBondContact O-CB 3.18Å; E117-D120 PolarHBondContact O-N 3.46Å; I118-D120 PolarHBondContact O-N 3.23Å; D120-Y122 VanDerWaalsContact C-N 3.28Å; D120-Y122 PolarHBondContact O-N 3.25Å; D120-Q123 WeakPolarHBondContact O-CB 3.4Å; D120-Q123 PolarHBondContact O-N 3.02Å; D120-Q123 VanDerWaalsContact O-N 3.11Å; D120-Q123 PolarHBondContact OD1-NE2 3.22Å; D120-Y124 VanDerWaalsContact O-CD2 3.26Å; D120-Y124 WeakPolarHBondContact O-CD2 3.39Å
121	I	98.3	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-43.3	179.9	-59.2	178.8	0	0	0	110.2	V115 I118 Q119 Q123 Y124 C125 V127 L138 V165 I167	V115-I121 HydrophobicContact CG2-CG1 3.7Å; I118-I121 VanDerWaalsContact O-CB 3.24Å; I118-I121 WeakPolarHBondContact O-CB 3.18Å; I118-I121 WeakPolarHBondContact O-CG1 3.22Å; I118-I121 PolarHBondContact O-N 3.15Å; Q119-I121 PolarHBondContact O-N 3.44Å; I121-Q123 PolarHBondContact O-N 3.38Å; I121-Q123 VanDerWaalsContact O-N 3.14Å; I121-Y124 PolarHBondContact O-N 3.2Å; I121-C125 HydrophobicContact CG2-CB 3.9Å; I121-C125 WeakPolarHBondContact O-CB 3.33Å; I121-C125 PolarHBondContact O-N 2.99Å; I121-V127 HydrophobicContact CG2-CG2 3.72Å; I121-L138 HydrophobicContact CD1-CD1 3.51Å; I121-V165 HydrophobicContact CD1-CG2 4.33Å; I121-V165 HydrophobicContact CG1-CG2 3.85Å; I121-V165 HydrophobicContact CG2-CG1 3.87Å; I121-V165 HydrophobicContact CG2-CG2 4.3Å; I121-I167 HydrophobicContact CD1-CD1 3.98Å; I121-I167 HydrophobicContact CD1-CG1 4.45Å; I121-I167 HydrophobicContact CG1-CD1 4.45Å
122	Y	98.1	Very high	97.6	Very high	89 Å²	89	48 Å²	48	35%	0.349	24%	0.235	S	C	.	.	H	α-helix	trans	-63.5	-20.1	-178.8	-66.8	-85.1	0	0	0	113.3	I118 Q119 D120 V127 L134	I118-Y122 HydrophobicContact CG2-CE2 4.06Å; Q119-Y122 PolarHBondContact O-N 3.15Å; D120-Y122 VanDerWaalsContact C-N 3.28Å; D120-Y122 PolarHBondContact O-N 3.25Å; Y122-V127 HydrophobicContact CD1-CB 3.9Å; Y122-V127 HydrophobicContact CD1-CG2 3.88Å; Y122-V127 HydrophobicContact CE1-CB 3.61Å; Y122-V127 HydrophobicContact CE1-CG1 3.83Å; Y122-V127 HydrophobicContact CE1-CG2 3.91Å; Y122-V127 HydrophobicContact CG-CG2 4.41Å; Y122-L134 HydrophobicContact CE2-CD1 3.99Å
123	Q	97.6	Very high	97.7	Very high	72 Å²	72	47 Å²	47	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-74	-32.2	175.6	-54.9	-174.1	45	0	0	112.2	D120 I121 S149 K151	D120-Q123 WeakPolarHBondContact O-CB 3.4Å; D120-Q123 PolarHBondContact O-N 3.02Å; D120-Q123 VanDerWaalsContact O-N 3.11Å; D120-Q123 PolarHBondContact OD1-NE2 3.22Å; I121-Q123 PolarHBondContact O-N 3.38Å; I121-Q123 VanDerWaalsContact O-N 3.14Å; Q123-S149 PolarHBondContact O-OG 2.94Å; Q123-K151 HydrophobicContact CB-CD 4.29Å
124	Y	98.2	Very high	97.7	Very high	11 Å²	11	47 Å²	47	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-113	-14.4	-170.8	-57.3	-68.3	0	0	0	114	I113 V115 D120 I121 R148 S149 K151 L152 P183	I113-Y124 HydrophobicContact CD1-CG 4.33Å; V115-Y124 HydrophobicContact CG1-CD2 4.28Å; D120-Y124 VanDerWaalsContact O-CD2 3.26Å; D120-Y124 WeakPolarHBondContact O-CD2 3.39Å; I121-Y124 PolarHBondContact O-N 3.2Å; Y124-R148 CarbonylContact O-C 3.52Å; Y124-R148 WeakPolarHBondContact O-CA 3.33Å; Y124-S149 WeakPolarHBondContact CA-OG 3.31Å; Y124-S149 PolarHBondContact O-N 2.84Å; Y124-K151 HydrophobicContact CD1-CB 4.47Å; Y124-K151 HydrophobicContact CD1-CD 4.46Å; Y124-K151 HydrophobicContact CD1-CG 4.4Å; Y124-K151 HydrophobicContact CE1-CD 3.89Å; Y124-K151 HydrophobicContact CE1-CG 3.98Å; Y124-L152 HydrophobicContact CD1-CB 4.29Å; Y124-L152 HydrophobicContact CD1-CD1 3.78Å; Y124-L152 HydrophobicContact CG-CD1 4.25Å; Y124-P183 HydrophobicContact CD1-CG 3.94Å; Y124-P183 HydrophobicContact CD2-CB 4.31Å; Y124-P183 HydrophobicContact CD2-CG 3.93Å; Y124-P183 HydrophobicContact CE1-CG 3.72Å; Y124-P183 HydrophobicContact CE2-CB 4.28Å; Y124-P183 HydrophobicContact CE2-CG 3.73Å; Y124-P183 HydrophobicContact CG-CG 4.06Å; Y124-P183 WeakPolarHBondContact OH-CD 3.48Å
125	C	98.3	Very high	97.7	Very high	4 Å²	4	49 Å²	49	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.5	-176.1	-61.8	0	0	0	0	110.9	I121 V127 F146 E147	I121-C125 HydrophobicContact CG2-CB 3.9Å; I121-C125 WeakPolarHBondContact O-CB 3.33Å; I121-C125 PolarHBondContact O-N 2.99Å; C125-V127 HydrophobicContact CB-CG2 4.2Å; C125-V127 PolarHBondContact O-N 2.89Å; C125-F146 HydrophobicContact CB-CB 3.96Å; C125-F146 HydrophobicContact CB-CD2 4.09Å; C125-F146 HydrophobicContact CB-CG 4.32Å; C125-E147 CarbonylContact C-O 3.53Å; C125-E147 WeakPolarHBondContact CA-O 3.28Å
126	K	98.1	Very high	97.7	Very high	108 Å²	108	52 Å²	52	47%	0.47	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	84.5	166.6	-56.3	-175.6	-160	161.9	0	108.9	K128 E147 R148	K126-K128 PolarHBondContact O-N 3.33Å; K126-E147 HydrophobicContact CB-CB 4.13Å; K126-E147 HydrophobicContact CD-CB 4.15Å; K126-E147 WeakPolarHBondContact CD-OE2 3.48Å; K126-E147 HydrophobicContact CG-CB 4.37Å; K126-E147 PolarHBondContact N-O 3.06Å; K126-E147 IonicContact NZ-OE2 2.89Å; K126-E147 PolarHBondContact NZ-OE2 3.27Å; K126-R148 WeakPolarHBondContact CE-O 3.44Å
127	V	97.9	Very high	97.7	Very high	27 Å²	27	52.5 Å²	52.5	16%	0.164	27%	0.266	C	S	.	.			trans	-69.7	127.1	-179.9	-179.6	0	0	0	0	110	I121 Y122 C125 V129 L134 F146	I121-V127 HydrophobicContact CG2-CG2 3.72Å; Y122-V127 HydrophobicContact CD1-CB 3.9Å; Y122-V127 HydrophobicContact CD1-CG2 3.88Å; Y122-V127 HydrophobicContact CE1-CB 3.61Å; Y122-V127 HydrophobicContact CE1-CG1 3.83Å; Y122-V127 HydrophobicContact CE1-CG2 3.91Å; Y122-V127 HydrophobicContact CG-CG2 4.41Å; C125-V127 HydrophobicContact CB-CG2 4.2Å; C125-V127 PolarHBondContact O-N 2.89Å; V127-V129 HydrophobicContact CG1-CG2 3.71Å; V127-L134 HydrophobicContact CG1-CD1 4.01Å; V127-L134 HydrophobicContact CG1-CD2 4.5Å; V127-F146 HydrophobicContact CG1-CE1 4.48Å
128	K	94.7	Very high	97.8	Very high	88 Å²	88	48.4 Å²	48.4	38%	0.383	25%	0.247	S	C	.	.			trans	-118.9	12.8	178.6	-57.1	-177.9	-166.6	162	0	113.4	K126 E147 S233 P235	K126-K128 PolarHBondContact O-N 3.33Å; K128-E147 IonicContact NZ-OE1 3.55Å; K128-E147 PolarHBondContact NZ-OE1 3.49Å; K128-S233 PolarHBondContact NZ-O 2.96Å; K128-P235 HydrophobicContact CB-CG 4.21Å; K128-P235 HydrophobicContact CD-CG 3.69Å
129	V	97.5	Very high	97.8	Very high	25 Å²	25	49 Å²	49	15%	0.152	25%	0.253	C	S	.	.	S	Bend	trans	-109.7	164.1	178.9	-65.4	0	0	0	0	110.6	V127 L133 L134 F146 L232	V127-V129 HydrophobicContact CG1-CG2 3.71Å; V129-L133 HydrophobicContact CB-CD1 4.26Å; V129-L133 HydrophobicContact CB-CD2 4.42Å; V129-L133 HydrophobicContact CG1-CD1 4.39Å; V129-L133 HydrophobicContact CG2-CD2 4.15Å; V129-L134 HydrophobicContact CG2-CD2 3.79Å; V129-L134 HydrophobicContact CG2-CG 4.31Å; V129-F146 HydrophobicContact CG1-CE1 4.42Å; V129-F146 HydrophobicContact CG2-CE1 3.91Å; V129-F146 HydrophobicContact CG2-CZ 3.96Å; V129-L232 HydrophobicContact CG1-CB 4.2Å; V129-L232 HydrophobicContact CG1-CD1 4.29Å
130	K	96.8	Very high	97.8	Very high	151 Å²	151	44.2 Å²	44.2	66%	0.657	23%	0.232	S	C	*	.			trans	-64.6	141.8	175.7	-63.4	179.6	-177.6	173.3	0	110	G132 L133 Y258	K130-G132 PolarHBondContact O-N 2.67Å; K130-L133 VanDerWaalsContact O-CB 3.31Å; K130-L133 WeakPolarHBondContact O-CB 3.46Å; K130-L133 PolarHBondContact O-N 2.95Å; K130-Y258 HydrophobicContact CB-CE1 4.3Å; K130-Y258 HydrophobicContact CD-CD1 4.2Å; K130-Y258 HydrophobicContact CD-CE1 4.22Å
131	E	96.8	Very high	97.8	Very high	106 Å²	106	44.6 Å²	44.6	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-56.6	-38.6	177.5	-176.1	175.3	-166.5	0	0	112.2	Q119 L133 L134 G135	Q119-E131 PolarHBondContact NE2-OE1 3.29Å; E131-L133 PolarHBondContact O-N 3.05Å; E131-L134 WeakPolarHBondContact O-CB 3.38Å; E131-L134 PolarHBondContact O-N 3.32Å; E131-G135 PolarHBondContact O-N 2.87Å; E131-G135 VanDerWaalsContact O-N 3.08Å
132	G	98.2	Very high	97.8	Very high	38 Å²	38	44.9 Å²	44.9	39%	0.392	24%	0.238	S	C	.	.	H	α-helix	trans	-56.1	-33.8	174.9	0	0	0	0	0	113.6	K130 L134 G135 D136 Y258	K130-G132 PolarHBondContact O-N 2.67Å; G132-L134 VanDerWaalsContact C-N 3.33Å; G132-L134 PolarHBondContact O-N 3.38Å; G132-G135 PolarHBondContact O-N 2.92Å; G132-D136 VanDerWaalsContact O-CG 3.28Å; G132-D136 PolarHBondContact O-N 3.42Å; G132-Y258 PolarHBondContact O-OH 3.47Å; G132-Y258 VanDerWaalsContact O-OH 3.07Å
133	L	98.6	Very high	97.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-39.7	177.3	-176.6	158.1	0	0	0	110.6	V129 K130 E131 G135 D136 L137 L232 L254 Y258 L260	V129-L133 HydrophobicContact CB-CD1 4.26Å; V129-L133 HydrophobicContact CB-CD2 4.42Å; V129-L133 HydrophobicContact CG1-CD1 4.39Å; V129-L133 HydrophobicContact CG2-CD2 4.15Å; K130-L133 VanDerWaalsContact O-CB 3.31Å; K130-L133 WeakPolarHBondContact O-CB 3.46Å; K130-L133 PolarHBondContact O-N 2.95Å; E131-L133 PolarHBondContact O-N 3.05Å; L133-G135 VanDerWaalsContact C-N 3.32Å; L133-D136 PolarHBondContact O-N 3.38Å; L133-L137 HydrophobicContact CD2-CD1 3.68Å; L133-L137 HydrophobicContact CD2-CG 4.45Å; L133-L137 HydrophobicContact CG-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 2.79Å; L133-L232 HydrophobicContact CD2-CD1 3.88Å; L133-L254 HydrophobicContact CD1-CD2 3.98Å; L133-L254 HydrophobicContact CD2-CD2 4.42Å; L133-L254 HydrophobicContact CG-CD2 4.46Å; L133-Y258 VanDerWaalsContact CA-CZ 3.45Å; L133-Y258 HydrophobicContact CB-CD1 4.1Å; L133-Y258 HydrophobicContact CB-CD2 4.03Å; L133-Y258 HydrophobicContact CB-CE1 3.88Å; L133-Y258 HydrophobicContact CB-CE2 3.81Å; L133-Y258 HydrophobicContact CB-CG 4.2Å; L133-Y258 HydrophobicContact CD1-CD1 4.28Å; L133-Y258 HydrophobicContact CD1-CD2 3.96Å; L133-Y258 HydrophobicContact CD1-CG 3.83Å; L133-Y258 HydrophobicContact CG-CD2 3.96Å; L133-Y258 HydrophobicContact CG-CE2 4.11Å; L133-Y258 HydrophobicContact CG-CG 4.26Å; L133-Y258 PolarHBondContact N-OH 3.38Å; L133-Y258 VanDerWaalsContact N-OH 3.11Å; L133-L260 HydrophobicContact CD1-CD1 3.54Å
134	L	98.5	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-44.2	173.9	-55.3	-176.5	0	0	0	110.4	I118 Y122 V127 V129 E131 G132 D136 L137 L138 L144 F146	I118-L134 HydrophobicContact CD1-CB 4.29Å; I118-L134 HydrophobicContact CG1-CB 4.48Å; I118-L134 HydrophobicContact CG2-CB 4.06Å; I118-L134 HydrophobicContact CG2-CD1 3.82Å; Y122-L134 HydrophobicContact CE2-CD1 3.99Å; V127-L134 HydrophobicContact CG1-CD1 4.01Å; V127-L134 HydrophobicContact CG1-CD2 4.5Å; V129-L134 HydrophobicContact CG2-CD2 3.79Å; V129-L134 HydrophobicContact CG2-CG 4.31Å; E131-L134 WeakPolarHBondContact O-CB 3.38Å; E131-L134 PolarHBondContact O-N 3.32Å; G132-L134 VanDerWaalsContact C-N 3.33Å; G132-L134 PolarHBondContact O-N 3.38Å; L134-D136 VanDerWaalsContact C-N 3.32Å; L134-D136 PolarHBondContact O-N 2.84Å; L134-L137 PolarHBondContact O-N 3.01Å; L134-L138 WeakPolarHBondContact O-CA 3.47Å; L134-L138 VanDerWaalsContact O-CB 3.28Å; L134-L138 WeakPolarHBondContact O-CB 3.41Å; L134-L138 PolarHBondContact O-N 3.32Å; L134-L144 HydrophobicContact CD2-CD1 3.54Å; L134-F146 HydrophobicContact CD2-CE2 4.32Å; L134-F146 HydrophobicContact CD2-CZ 3.91Å
135	G	98.2	Very high	97.9	Very high	42 Å²	42	37.6 Å²	37.6	43%	0.433	21%	0.208	S	C	.	.	H	α-helix	trans	-66.4	-28.4	179.1	0	0	0	0	0	114.9	E131 G132 L133	E131-G135 PolarHBondContact O-N 2.87Å; E131-G135 VanDerWaalsContact O-N 3.08Å; G132-G135 PolarHBondContact O-N 2.92Å; L133-G135 VanDerWaalsContact C-N 3.32Å
136	D	98.4	Very high	97.9	Very high	66 Å²	66	37.4 Å²	37.4	35%	0.353	21%	0.207	S	C	.	.	H	α-helix	trans	-79.6	-24.2	176	-70.5	-41.6	0	0	0	113.1	G132 L133 L134 V253 K257 Y258	G132-D136 VanDerWaalsContact O-CG 3.28Å; G132-D136 PolarHBondContact O-N 3.42Å; L133-D136 PolarHBondContact O-N 3.38Å; L134-D136 VanDerWaalsContact C-N 3.32Å; L134-D136 PolarHBondContact O-N 2.84Å; D136-V253 HydrophobicContact CB-CG1 4.01Å; D136-K257 IonicContact OD1-NZ 2.76Å; D136-K257 PolarHBondContact OD1-NZ 2.93Å; D136-K257 WeakPolarHBondContact OD2-CD 3.29Å; D136-K257 WeakPolarHBondContact OD2-CE 3.24Å; D136-K257 IonicContact OD2-NZ 2.71Å; D136-K257 PolarHBondContact OD2-NZ 3.04Å; D136-Y258 HydrophobicContact CB-CE2 4.41Å; D136-Y258 WeakPolarHBondContact OD2-CE2 3.38Å; D136-Y258 VanDerWaalsContact OD2-CZ 3.23Å; D136-Y258 PolarHBondContact OD2-OH 3.33Å
137	L	98.4	Very high	97.9	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-104.7	-17.1	-178.1	-63	-177.3	0	0	0	113.7	L133 L134 L144 T250 V253 L254	L133-L137 HydrophobicContact CD2-CD1 3.68Å; L133-L137 HydrophobicContact CD2-CG 4.45Å; L133-L137 HydrophobicContact CG-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 2.79Å; L134-L137 PolarHBondContact O-N 3.01Å; L137-L144 HydrophobicContact CB-CD2 4.5Å; L137-L144 HydrophobicContact CD1-CD2 3.75Å; L137-T250 HydrophobicContact CD1-CG2 4.42Å; L137-T250 HydrophobicContact CD2-CG2 4.16Å; L137-V253 HydrophobicContact CD2-CB 4.01Å; L137-V253 HydrophobicContact CD2-CG1 3.89Å; L137-V253 HydrophobicContact CD2-CG2 4.28Å; L137-V253 HydrophobicContact CG-CG1 4.26Å; L137-L254 HydrophobicContact CD1-CD2 4.11Å
138	L	98.4	Very high	97.9	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	20%	0.195	C	C	.	.			trans	-136.1	140.9	-175.3	-60.4	175.7	0	0	0	111.4	I121 L134 L144 I167	I121-L138 HydrophobicContact CD1-CD1 3.51Å; L134-L138 WeakPolarHBondContact O-CA 3.47Å; L134-L138 VanDerWaalsContact O-CB 3.28Å; L134-L138 WeakPolarHBondContact O-CB 3.41Å; L134-L138 PolarHBondContact O-N 3.32Å; L138-L144 HydrophobicContact CD1-CD1 3.73Å; L138-L144 HydrophobicContact CD1-CG 4.33Å; L138-L144 HydrophobicContact CG-CD1 4.15Å; L138-I167 HydrophobicContact CB-CB 4.28Å; L138-I167 HydrophobicContact CB-CD1 4.16Å; L138-I167 HydrophobicContact CB-CG1 4.49Å; L138-I167 HydrophobicContact CD1-CD1 4.21Å; L138-I167 HydrophobicContact CD1-CG1 4.28Å; L138-I167 HydrophobicContact CD2-CB 4.38Å
139	P	98.4	Very high	98	Very high	48 Å²	48	32 Å²	32	31%	0.312	18%	0.184	S	C	.	.	S	Bend	cis	-62	146.6	-5.6	-20.4	32.7	0	0	0	113.4	I167 D169	P139-I167 CarbonylContact C-O 3.53Å; P139-I167 WeakPolarHBondContact CA-O 3.45Å; P139-I167 HydrophobicContact CB-CB 4.41Å; P139-I167 HydrophobicContact CB-CG2 3.89Å; P139-I167 HydrophobicContact CG-CG2 3.88Å; P139-D169 HydrophobicContact CB-CB 4.01Å
140	G	97	Very high	98	Very high	4 Å²	4	34.9 Å²	34.9	4%	0.041	22%	0.219	C	C	.	.	S	Bend	trans	165.9	-177.6	178.1	0	0	0	0	0	116.9	V142 R166 I167	G140-V142 PolarHBondContact O-N 2.82Å; G140-R166 PolarHBondContact O-NE 3.17Å; G140-R166 VanDerWaalsContact O-NE 3.11Å; G140-I167 PolarHBondContact N-O 2.7Å
141	P	96.9	Very high	98	Very high	41 Å²	41	32.9 Å²	32.9	27%	0.266	21%	0.21	S	C	.	.	S	Bend	trans	-76.6	35.9	-177.8	32	-38.9	0	0	0	114.3	D81 T82 S227 T228 A246	D81-P141 VanDerWaalsContact OD2-N 3.16Å; T82-P141 HydrophobicContact CG2-CB 3.58Å; P141-S227 CarbonylContact O-C 3.51Å; P141-S227 WeakPolarHBondContact O-CA 3.27Å; P141-S227 WeakPolarHBondContact O-CB 3.45Å; P141-T228 PolarHBondContact O-N 2.97Å; P141-A246 HydrophobicContact CB-CB 4.07Å; P141-A246 HydrophobicContact CG-CB 3.57Å
142	V	98.2	Very high	98	Very high	5 Å²	5	28 Å²	28	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139	-179.7	-168.5	0	0	0	0	110.3	G140 L144 R166 T228 I230 A246 T250	G140-V142 PolarHBondContact O-N 2.82Å; V142-L144 HydrophobicContact CG1-CD2 3.6Å; V142-R166 WeakPolarHBondContact O-CG 3.22Å; V142-T228 CarbonylContact C-O 3.59Å; V142-T228 WeakPolarHBondContact CA-O 3.37Å; V142-I230 HydrophobicContact CG1-CG1 4.45Å; V142-A246 HydrophobicContact CG2-CB 4.23Å; V142-T250 HydrophobicContact CG1-CG2 4.12Å; V142-T250 HydrophobicContact CG2-CG2 4.47Å; V142-T250 WeakPolarHBondContact CG2-OG1 3.17Å
143	T	98.7	Very high	97.9	Very high	8 Å²	8	27.1 Å²	27.1	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.3	170.6	-57.7	0	0	0	0	108.5	A112 S227 T228 V229 I230	A112-T143 HydrophobicContact CB-CG2 4.02Å; T143-S227 PolarHBondContact OG1-OG 2.92Å; T143-T228 PolarHBondContact N-O 2.82Å; T143-V229 HydrophobicContact CG2-CG1 4.36Å; T143-V229 WeakPolarHBondContact O-CA 3.07Å; T143-I230 PolarHBondContact O-N 2.82Å
144	L	98.8	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.8	-178.8	-52.7	-177.8	0	0	0	109.2	L134 L137 L138 V142 F146 G164 V165 L232	L134-L144 HydrophobicContact CD2-CD1 3.54Å; L137-L144 HydrophobicContact CB-CD2 4.5Å; L137-L144 HydrophobicContact CD1-CD2 3.75Å; L138-L144 HydrophobicContact CD1-CD1 3.73Å; L138-L144 HydrophobicContact CD1-CG 4.33Å; L138-L144 HydrophobicContact CG-CD1 4.15Å; V142-L144 HydrophobicContact CG1-CD2 3.6Å; L144-F146 HydrophobicContact CB-CD2 4.31Å; L144-F146 HydrophobicContact CB-CE2 3.49Å; L144-F146 VanDerWaalsContact CB-CE2 3.49Å; L144-F146 HydrophobicContact CB-CZ 3.91Å; L144-F146 HydrophobicContact CD1-CE2 4.24Å; L144-F146 HydrophobicContact CD1-CZ 4.24Å; L144-G164 CarbonylContact O-C 3.54Å; L144-G164 WeakPolarHBondContact O-CA 3.38Å; L144-V165 HydrophobicContact CB-CG1 4.37Å; L144-V165 PolarHBondContact N-O 3.29Å; L144-V165 WeakPolarHBondContact O-CG1 3.27Å; L144-V165 PolarHBondContact O-N 3.21Å; L144-L232 HydrophobicContact CB-CD1 4.39Å; L144-L232 HydrophobicContact CD1-CD1 4.44Å; L144-L232 HydrophobicContact CD2-CD1 3.91Å; L144-L232 HydrophobicContact CG-CD1 4.48Å
145	V	98.7	Very high	97.6	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.2	-179	175.9	0	0	0	0	110	L162 V163 V229 I230 L232 S233 I241	V145-L162 HydrophobicContact CG1-CB 3.81Å; V145-L162 HydrophobicContact CG1-CD1 4.18Å; V145-L162 HydrophobicContact CG1-CG 4.47Å; V145-V163 WeakPolarHBondContact CA-O 3.4Å; V145-V229 HydrophobicContact CG2-CG1 3.75Å; V145-I230 PolarHBondContact N-O 2.75Å; V145-L232 CarbonylContact O-C 3.49Å; V145-L232 PolarHBondContact O-N 3.19Å; V145-S233 PolarHBondContact O-N 3.04Å; V145-I241 HydrophobicContact CB-CD1 4.13Å; V145-I241 HydrophobicContact CG1-CD1 4.26Å; V145-I241 HydrophobicContact CG2-CD1 3.83Å
146	F	98.6	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	168.6	179.1	-61.2	-72.9	0	0	0	110.6	C125 V127 V129 L134 L144 R148 L162 V163 V165 L232	C125-F146 HydrophobicContact CB-CB 3.96Å; C125-F146 HydrophobicContact CB-CD2 4.09Å; C125-F146 HydrophobicContact CB-CG 4.32Å; V127-F146 HydrophobicContact CG1-CE1 4.48Å; V129-F146 HydrophobicContact CG1-CE1 4.42Å; V129-F146 HydrophobicContact CG2-CE1 3.91Å; V129-F146 HydrophobicContact CG2-CZ 3.96Å; L134-F146 HydrophobicContact CD2-CE2 4.32Å; L134-F146 HydrophobicContact CD2-CZ 3.91Å; L144-F146 HydrophobicContact CB-CD2 4.31Å; L144-F146 HydrophobicContact CB-CE2 3.49Å; L144-F146 VanDerWaalsContact CB-CE2 3.49Å; L144-F146 HydrophobicContact CB-CZ 3.91Å; L144-F146 HydrophobicContact CD1-CE2 4.24Å; L144-F146 HydrophobicContact CD1-CZ 4.24Å; F146-R148 PolarHBondContact O-N 2.94Å; F146-L162 CarbonylContact O-C 3.46Å; F146-L162 VanDerWaalsContact O-CA 3.26Å; F146-L162 WeakPolarHBondContact O-CA 3.38Å; F146-V163 PolarHBondContact N-O 3Å; F146-V163 PolarHBondContact O-N 2.98Å; F146-V165 HydrophobicContact CD2-CG1 3.85Å; F146-V165 HydrophobicContact CE2-CG1 3.97Å; F146-L232 HydrophobicContact CD1-CB 4.07Å; F146-L232 HydrophobicContact CE1-CB 3.52Å; F146-L232 HydrophobicContact CE1-CD1 4.17Å; F146-L232 HydrophobicContact CE1-CG 4.49Å; F146-L232 HydrophobicContact CZ-CB 4.15Å; F146-L232 HydrophobicContact CZ-CD1 4.01Å
147	E	98.3	Very high	97.3	Very high	54 Å²	54	31.5 Å²	31.5	25%	0.252	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.8	159.2	-78.5	-179.5	-135	0	0	109.8	C125 K126 K128 S161 L162	C125-E147 CarbonylContact C-O 3.53Å; C125-E147 WeakPolarHBondContact CA-O 3.28Å; K126-E147 HydrophobicContact CB-CB 4.13Å; K126-E147 HydrophobicContact CD-CB 4.15Å; K126-E147 WeakPolarHBondContact CD-OE2 3.48Å; K126-E147 HydrophobicContact CG-CB 4.37Å; K126-E147 PolarHBondContact N-O 3.06Å; K126-E147 IonicContact NZ-OE2 2.89Å; K126-E147 PolarHBondContact NZ-OE2 3.27Å; K128-E147 IonicContact NZ-OE1 3.55Å; K128-E147 PolarHBondContact NZ-OE1 3.49Å; E147-S161 WeakPolarHBondContact CA-O 3.43Å; E147-L162 HydrophobicContact CG-CD2 4.17Å
148	R	97.9	Very high	97.1	Very high	35 Å²	35	34.5 Å²	34.5	13%	0.132	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	153	175.1	71.6	-171.9	-65.5	170.2	2.7	112.2	Y124 K126 F146 L152 N153 L156 S161 V163	Y124-R148 CarbonylContact O-C 3.52Å; Y124-R148 WeakPolarHBondContact O-CA 3.33Å; K126-R148 WeakPolarHBondContact CE-O 3.44Å; F146-R148 PolarHBondContact O-N 2.94Å; R148-L152 HydrophobicContact CB-CD2 4.33Å; R148-L152 VanDerWaalsContact NH2-C 3.33Å; R148-L152 PolarHBondContact NH2-O 3.23Å; R148-N153 PolarHBondContact NH2-O 3.48Å; R148-L156 PolarHBondContact NH1-O 3Å; R148-L156 PolarHBondContact NH2-O 3.17Å; R148-S161 WeakPolarHBondContact CG-O 3.29Å; R148-S161 PolarHBondContact N-O 2.87Å; R148-V163 HydrophobicContact CB-CB 4.2Å; R148-V163 HydrophobicContact CB-CG1 3.71Å
149	S	97.3	Very high	96.9	Very high	21 Å²	21	41.2 Å²	41.2	15%	0.147	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-82.8	166.4	166.9	87.3	0	0	0	0	111.2	Q123 Y124 K151	Q123-S149 PolarHBondContact O-OG 2.94Å; Y124-S149 WeakPolarHBondContact CA-OG 3.31Å; Y124-S149 PolarHBondContact O-N 2.84Å; S149-K151 PolarHBondContact O-N 3.46Å; S149-K151 WeakPolarHBondContact OG-CB 3.25Å; S149-K151 PolarHBondContact OG-N 2.74Å
150	G	96.9	Very high	96.7	Very high	86 Å²	86	41.2 Å²	41.2	89%	0.887	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.2	174.7	0	0	0	0	0	114.7	L152	G150-L152 VanDerWaalsContact C-N 3.34Å
151	K	97	Very high	96.7	Very high	109 Å²	109	44.8 Å²	44.8	47%	0.474	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-26.3	179.5	-171.8	176.8	177.4	175.3	0	112.4	Q91 Q123 Y124 S149	Q91-K151 PolarHBondContact NE2-O 2.84Å; Q123-K151 HydrophobicContact CB-CD 4.29Å; Y124-K151 HydrophobicContact CD1-CB 4.47Å; Y124-K151 HydrophobicContact CD1-CD 4.46Å; Y124-K151 HydrophobicContact CD1-CG 4.4Å; Y124-K151 HydrophobicContact CE1-CD 3.89Å; Y124-K151 HydrophobicContact CE1-CG 3.98Å; S149-K151 PolarHBondContact O-N 3.46Å; S149-K151 WeakPolarHBondContact OG-CB 3.25Å; S149-K151 PolarHBondContact OG-N 2.74Å
152	L	96.9	Very high	96.7	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	26%	0.262	C	S	.	.	S	Bend	trans	-78.2	129.2	-175.9	-165.9	68.3	0	0	0	110.4	I113 Y124 R148 G150 T154 L156 V163 P183	I113-L152 HydrophobicContact CD1-CD1 4.33Å; I113-L152 HydrophobicContact CG2-CD1 4.34Å; Y124-L152 HydrophobicContact CD1-CB 4.29Å; Y124-L152 HydrophobicContact CD1-CD1 3.78Å; Y124-L152 HydrophobicContact CG-CD1 4.25Å; R148-L152 HydrophobicContact CB-CD2 4.33Å; R148-L152 VanDerWaalsContact NH2-C 3.33Å; R148-L152 PolarHBondContact NH2-O 3.23Å; G150-L152 VanDerWaalsContact C-N 3.34Å; L152-T154 PolarHBondContact O-N 2.59Å; L152-L156 HydrophobicContact CD1-CD2 3.91Å; L152-L156 HydrophobicContact CD2-CD2 3.64Å; L152-L156 HydrophobicContact CG-CD2 3.76Å; L152-V163 HydrophobicContact CD2-CB 4.18Å; L152-V163 HydrophobicContact CD2-CG1 4.23Å; L152-V163 HydrophobicContact CD2-CG2 3.84Å; L152-P183 HydrophobicContact CD1-CG 4.01Å
153	N	96	Very high	96.7	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	26%	0.261	C	S	.	.			trans	-41.3	120.1	178.7	172.5	10.3	0	0	0	113.3	A90 Q91 S93 R148 N155 L156	A90-N153 WeakPolarHBondContact O-CB 3.49Å; A90-N153 PolarHBondContact O-ND2 3.07Å; Q91-N153 PolarHBondContact O-ND2 3.15Å; S93-N153 PolarHBondContact N-ND2 2.81Å; S93-N153 PolarHBondContact OG-ND2 3.28Å; S93-N153 VanDerWaalsContact OG-ND2 3.12Å; S93-N153 PolarHBondContact OG-OD1 2.68Å; R148-N153 PolarHBondContact NH2-O 3.48Å; N153-N155 PolarHBondContact O-N 3.14Å; N153-N155 VanDerWaalsContact O-N 3.15Å; N153-N155 WeakPolarHBondContact OD1-CB 3.26Å; N153-N155 PolarHBondContact OD1-N 2.97Å; N153-L156 HydrophobicContact CB-CB 4.46Å; N153-L156 VanDerWaalsContact O-CB 3.29Å; N153-L156 WeakPolarHBondContact O-CB 3.15Å; N153-L156 PolarHBondContact O-N 3.42Å
154	T	95.3	Very high	96.7	Very high	107 Å²	107	44.7 Å²	44.7	66%	0.656	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.3	-176	51.2	0	0	0	0	113.4	L152 L156	L152-T154 PolarHBondContact O-N 2.59Å; T154-L156 VanDerWaalsContact C-N 3.32Å
155	N	95.4	Very high	96.7	Very high	91 Å²	91	44.7 Å²	44.7	49%	0.487	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.5	175.5	-64.6	-38.7	0	0	0	113.2	S93 N153 N157	S93-N155 WeakPolarHBondContact CB-ND2 3.2Å; S93-N155 PolarHBondContact OG-ND2 3.06Å; N153-N155 PolarHBondContact O-N 3.14Å; N153-N155 VanDerWaalsContact O-N 3.15Å; N153-N155 WeakPolarHBondContact OD1-CB 3.26Å; N153-N155 PolarHBondContact OD1-N 2.97Å; N155-N157 PolarHBondContact O-N 2.86Å
156	L	95.6	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-76.8	118	167.7	-178	80.1	0	0	0	108.2	A90 V96 L111 I113 R148 L152 N153 T154 A185	A90-L156 HydrophobicContact CB-CD2 4.14Å; V96-L156 HydrophobicContact CG1-CD1 4.07Å; V96-L156 HydrophobicContact CG2-CD1 3.91Å; L111-L156 HydrophobicContact CB-CD1 4.33Å; L111-L156 HydrophobicContact CD1-CD1 4.31Å; I113-L156 HydrophobicContact CG2-CD2 3.59Å; R148-L156 PolarHBondContact NH1-O 3Å; R148-L156 PolarHBondContact NH2-O 3.17Å; L152-L156 HydrophobicContact CD1-CD2 3.91Å; L152-L156 HydrophobicContact CD2-CD2 3.64Å; L152-L156 HydrophobicContact CG-CD2 3.76Å; N153-L156 HydrophobicContact CB-CB 4.46Å; N153-L156 VanDerWaalsContact O-CB 3.29Å; N153-L156 WeakPolarHBondContact O-CB 3.15Å; N153-L156 PolarHBondContact O-N 3.42Å; T154-L156 VanDerWaalsContact C-N 3.32Å; L156-A185 HydrophobicContact CD1-CB 3.91Å
157	N	95.4	Very high	96.7	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	26%	0.263	C	S	.	.	S	Bend	trans	54	58.1	178.9	-52.6	-25.1	0	0	0	113.8	Y100 P110 L111 N155 F159 T160	Y100-N157 PolarHBondContact OH-OD1 3.43Å; P110-N157 WeakPolarHBondContact CA-OD1 3.49Å; P110-N157 HydrophobicContact CB-CB 4.11Å; L111-N157 PolarHBondContact N-OD1 3.28Å; L111-N157 PolarHBondContact O-ND2 2.79Å; N155-N157 PolarHBondContact O-N 2.86Å; N157-F159 PolarHBondContact O-N 2.99Å; N157-T160 HydrophobicContact CB-CG2 3.81Å; N157-T160 PolarHBondContact O-N 2.9Å
158	P	93.8	Very high	96.6	Very high	74 Å²	74	42.2 Å²	42.2	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-13.6	-170.3	28	-35.3	0	0	0	114.2
159	F	93.7	Very high	96.6	Very high	145 Å²	145	45.5 Å²	45.5	64%	0.636	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	8.3	-176.1	-52.6	-67.7	0	0	0	114.1	Q108 N157	Q108-F159 HydrophobicContact CG-CD2 4.11Å; Q108-F159 HydrophobicContact CG-CE2 4.38Å; N157-F159 PolarHBondContact O-N 2.99Å
160	T	94.9	Very high	96.5	Very high	49 Å²	49	46.3 Å²	46.3	30%	0.301	27%	0.272	S	S	.	.			trans	-146.6	144.8	179.7	179.8	0	0	0	0	112.1	P110 N157 L162	P110-T160 HydrophobicContact CB-CG2 4.22Å; N157-T160 HydrophobicContact CB-CG2 3.81Å; N157-T160 PolarHBondContact O-N 2.9Å; T160-L162 VanDerWaalsContact C-N 3.26Å; T160-L162 WeakPolarHBondContact CG2-O 3.42Å; T160-L162 PolarHBondContact OG1-N 3.12Å
161	S	96.3	Very high	96.4	Very high	79 Å²	79	44.5 Å²	44.5	55%	0.552	25%	0.249	S	C	*	.	S	Bend	trans	-83.1	-4.4	169.9	57.8	0	0	0	0	112.8	E147 R148	E147-S161 WeakPolarHBondContact CA-O 3.43Å; R148-S161 WeakPolarHBondContact CG-O 3.29Å; R148-S161 PolarHBondContact N-O 2.87Å
162	L	97.6	Very high	96.3	Very high	39 Å²	39	39.9 Å²	39.9	20%	0.204	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148	-179.9	-57.1	-177.6	0	0	0	111.7	V145 F146 E147 T160	V145-L162 HydrophobicContact CG1-CB 3.81Å; V145-L162 HydrophobicContact CG1-CD1 4.18Å; V145-L162 HydrophobicContact CG1-CG 4.47Å; F146-L162 CarbonylContact O-C 3.46Å; F146-L162 VanDerWaalsContact O-CA 3.26Å; F146-L162 WeakPolarHBondContact O-CA 3.38Å; E147-L162 HydrophobicContact CG-CD2 4.17Å; T160-L162 VanDerWaalsContact C-N 3.26Å; T160-L162 WeakPolarHBondContact CG2-O 3.42Å; T160-L162 PolarHBondContact OG1-N 3.12Å
163	V	98.3	Very high	96.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134	172.7	64.9	0	0	0	0	109.9	I113 V145 F146 R148 L152	I113-V163 HydrophobicContact CD1-CG2 4.28Å; I113-V163 HydrophobicContact CG1-CG2 4.05Å; I113-V163 HydrophobicContact CG2-CG2 4.1Å; V145-V163 WeakPolarHBondContact CA-O 3.4Å; F146-V163 PolarHBondContact N-O 3Å; F146-V163 PolarHBondContact O-N 2.98Å; R148-V163 HydrophobicContact CB-CB 4.2Å; R148-V163 HydrophobicContact CB-CG1 3.71Å; L152-V163 HydrophobicContact CD2-CB 4.18Å; L152-V163 HydrophobicContact CD2-CG1 4.23Å; L152-V163 HydrophobicContact CD2-CG2 3.84Å
164	G	98.5	Very high	96.4	Very high	10 Å²	10	43.1 Å²	43.1	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.6	167.8	0	0	0	0	0	110.4	A112 I113 L144	A112-G164 CarbonylContact C-O 3.47Å; A112-G164 VanDerWaalsContact CA-O 3.29Å; A112-G164 WeakPolarHBondContact CA-O 3.45Å; I113-G164 WeakPolarHBondContact CG1-O 3.41Å; I113-G164 PolarHBondContact N-O 3.29Å; L144-G164 CarbonylContact O-C 3.54Å; L144-G164 WeakPolarHBondContact O-CA 3.38Å
165	V	98.6	Very high	96.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.9	175.4	59.8	0	0	0	0	109.8	I113 V115 I121 L144 F146	I113-V165 HydrophobicContact CD1-CB 4.35Å; I113-V165 HydrophobicContact CD1-CG2 4.25Å; I113-V165 HydrophobicContact CG1-CB 3.91Å; I113-V165 HydrophobicContact CG1-CG2 3.98Å; I113-V165 CarbonylContact O-C 3.56Å; I113-V165 WeakPolarHBondContact O-CA 3.23Å; V115-V165 HydrophobicContact CG2-CG2 3.99Å; I121-V165 HydrophobicContact CD1-CG2 4.33Å; I121-V165 HydrophobicContact CG1-CG2 3.85Å; I121-V165 HydrophobicContact CG2-CG1 3.87Å; I121-V165 HydrophobicContact CG2-CG2 4.3Å; L144-V165 HydrophobicContact CB-CG1 4.37Å; L144-V165 PolarHBondContact N-O 3.29Å; L144-V165 WeakPolarHBondContact O-CG1 3.27Å; L144-V165 PolarHBondContact O-N 3.21Å; F146-V165 HydrophobicContact CD2-CG1 3.85Å; F146-V165 HydrophobicContact CE2-CG1 3.97Å
166	R	98.1	Very high	96.6	Very high	13 Å²	13	40.1 Å²	40.1	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.8	177.8	179.8	171.9	-179.9	-165.6	3.2	110.6	D81 T82 I113 C114 V115 G140 V142 P168	D81-R166 IonicContact OD1-CZ 2.93Å; D81-R166 IonicContact OD1-NE 2.71Å; D81-R166 IonicContact OD1-NH2 3.67Å; D81-R166 PolarHBondContact OD1-NH2 3.29Å; D81-R166 IonicContact OD2-CZ 3.55Å; D81-R166 IonicContact OD2-NH2 3.57Å; D81-R166 PolarHBondContact OD2-NH2 3.09Å; T82-R166 PolarHBondContact OG1-NH1 3.48Å; T82-R166 PolarHBondContact OG1-NH2 3.32Å; I113-R166 PolarHBondContact O-N 2.68Å; C114-R166 VanDerWaalsContact CA-O 3.3Å; C114-R166 WeakPolarHBondContact CA-O 3.48Å; V115-R166 PolarHBondContact N-O 3.39Å; V115-R166 VanDerWaalsContact N-O 3.09Å; G140-R166 PolarHBondContact O-NE 3.17Å; G140-R166 VanDerWaalsContact O-NE 3.11Å; V142-R166 WeakPolarHBondContact O-CG 3.22Å; R166-P168 HydrophobicContact CG-CG 4.24Å
167	I	98.5	Very high	96.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.21	C	C	.	.			trans	-119.9	98.5	162.5	-55.4	171.1	0	0	0	105.2	V115 I118 I121 L138 P139 G140 D169 R174	V115-I167 HydrophobicContact CG2-CD1 4.24Å; V115-I167 HydrophobicContact CG2-CG1 3.75Å; I118-I167 HydrophobicContact CB-CD1 4.49Å; I118-I167 HydrophobicContact CG1-CD1 3.84Å; I121-I167 HydrophobicContact CD1-CD1 3.98Å; I121-I167 HydrophobicContact CD1-CG1 4.45Å; I121-I167 HydrophobicContact CG1-CD1 4.45Å; L138-I167 HydrophobicContact CB-CB 4.28Å; L138-I167 HydrophobicContact CB-CD1 4.16Å; L138-I167 HydrophobicContact CB-CG1 4.49Å; L138-I167 HydrophobicContact CD1-CD1 4.21Å; L138-I167 HydrophobicContact CD1-CG1 4.28Å; L138-I167 HydrophobicContact CD2-CB 4.38Å; P139-I167 CarbonylContact C-O 3.53Å; P139-I167 WeakPolarHBondContact CA-O 3.45Å; P139-I167 HydrophobicContact CB-CB 4.41Å; P139-I167 HydrophobicContact CB-CG2 3.89Å; P139-I167 HydrophobicContact CG-CG2 3.88Å; G140-I167 PolarHBondContact N-O 2.7Å; I167-D169 PolarHBondContact O-N 3.3Å; I167-R174 HydrophobicContact CG2-CG 3.97Å
168	P	97.4	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.			trans	-55.6	136.6	176.5	-27.6	37.5	0	0	0	110.2	D81 C114 R166 H170 M173 R174 L186	D81-P168 VanDerWaalsContact OD1-CA 3.22Å; D81-P168 WeakPolarHBondContact OD1-CA 3.44Å; D81-P168 WeakPolarHBondContact OD1-CB 3.18Å; C114-P168 WeakPolarHBondContact SG-CD 3.49Å; C114-P168 VanDerWaalsContact SG-CG 3.51Å; R166-P168 HydrophobicContact CG-CG 4.24Å; P168-H170 HydrophobicContact CB-CB 4.37Å; P168-H170 PolarHBondContact O-N 3.02Å; P168-M173 HydrophobicContact CB-CB 4.07Å; P168-M173 HydrophobicContact CB-CG 4.38Å; P168-M173 HydrophobicContact CG-CB 4.23Å; P168-M173 HydrophobicContact CG-CE 4.45Å; P168-M173 HydrophobicContact CG-CG 4.48Å; P168-R174 WeakPolarHBondContact O-CG 3.13Å; P168-L186 HydrophobicContact CG-CD2 4.46Å
169	D	96.6	Very high	97	Very high	103 Å²	103	44.8 Å²	44.8	55%	0.551	23%	0.225	S	C	*	.	S	Bend	trans	-76.6	56.5	169.4	-167.3	24.5	0	0	0	111.3	D81 P139 I167	D81-D169 HydrophobicContact CB-CB 4.16Å; D81-D169 PolarHBondContact OD1-N 3.1Å; D81-D169 PolarHBondContact OD2-N 3.32Å; P139-D169 HydrophobicContact CB-CB 4.01Å; I167-D169 PolarHBondContact O-N 3.3Å
170	H	95.4	Very high	97.2	Very high	39 Å²	39	38.3 Å²	38.3	18%	0.181	20%	0.198	C	C	.	.			trans	-134.7	117	179.5	-168.9	-65.2	0	0	0	108.7	P168 F172 M173 R174	P168-H170 HydrophobicContact CB-CB 4.37Å; P168-H170 PolarHBondContact O-N 3.02Å; H170-F172 VanDerWaalsContact C-N 3.32Å; H170-F172 WeakPolarHBondContact ND1-CB 3.25Å; H170-F172 PolarHBondContact ND1-N 3Å; H170-F172 PolarHBondContact O-N 2.92Å; H170-M173 HydrophobicContact CB-CB 4.2Å; H170-M173 HydrophobicContact CB-CG 4.26Å; H170-M173 WeakPolarHBondContact O-CB 3.5Å; H170-M173 PolarHBondContact O-N 3.12Å; H170-R174 PolarHBondContact O-N 3.02Å; H170-R174 VanDerWaalsContact O-N 3.11Å
171	A	94.8	Very high	97.3	Very high	47 Å²	47	39 Å²	39	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-39.3	-167.6	0	0	0	0	0	112.6	R175	A171-R175 VanDerWaalsContact O-CD 3.23Å; A171-R175 WeakPolarHBondContact O-CD 3.44Å; A171-R175 WeakPolarHBondContact O-CG 3.5Å; A171-R175 PolarHBondContact O-N 2.89Å
172	F	96.3	Very high	97.3	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-57.8	-46.7	171.4	176.7	-95	0	0	0	112.6	L41 V62 L63 T66 V78 H170 R174 R175 L176 V214	L41-F172 HydrophobicContact CD1-CB 3.95Å; L41-F172 HydrophobicContact CD1-CD1 4.41Å; L41-F172 HydrophobicContact CD1-CD2 4.12Å; L41-F172 HydrophobicContact CD1-CG 3.91Å; L41-F172 HydrophobicContact CD2-CD2 3.6Å; L41-F172 HydrophobicContact CD2-CE2 3.89Å; L41-F172 HydrophobicContact CD2-CG 4.26Å; V62-F172 HydrophobicContact CB-CE2 4.47Å; V62-F172 HydrophobicContact CG1-CE2 3.82Å; V62-F172 HydrophobicContact CG1-CZ 4.22Å; L63-F172 HydrophobicContact CB-CE2 4.38Å; L63-F172 HydrophobicContact CD2-CD2 3.55Å; L63-F172 HydrophobicContact CD2-CE2 3.45Å; L63-F172 VanDerWaalsContact CD2-CE2 3.45Å; L63-F172 HydrophobicContact CD2-CG 4.29Å; L63-F172 HydrophobicContact CD2-CZ 4.12Å; L63-F172 HydrophobicContact CG-CD2 3.72Å; L63-F172 HydrophobicContact CG-CE2 3.6Å; T66-F172 HydrophobicContact CG2-CZ 4.23Å; V78-F172 HydrophobicContact CG1-CE1 4Å; H170-F172 VanDerWaalsContact C-N 3.32Å; H170-F172 WeakPolarHBondContact ND1-CB 3.25Å; H170-F172 PolarHBondContact ND1-N 3Å; H170-F172 PolarHBondContact O-N 2.92Å; F172-R174 PolarHBondContact O-N 3.41Å; F172-R175 PolarHBondContact O-N 3.01Å; F172-L176 HydrophobicContact CE1-CB 4.47Å; F172-L176 HydrophobicContact CE1-CD2 3.88Å; F172-L176 HydrophobicContact CZ-CD2 4.39Å; F172-L176 VanDerWaalsContact O-CB 3.27Å; F172-L176 WeakPolarHBondContact O-CB 3.23Å; F172-L176 PolarHBondContact O-N 3.35Å; F172-V214 HydrophobicContact CE1-CB 4.36Å; F172-V214 HydrophobicContact CE1-CG1 3.98Å; F172-V214 HydrophobicContact CE1-CG2 4.12Å; F172-V214 HydrophobicContact CE2-CG1 4.33Å; F172-V214 HydrophobicContact CZ-CB 4.37Å; F172-V214 HydrophobicContact CZ-CG1 3.9Å; F172-V214 HydrophobicContact CZ-CG2 3.82Å
173	M	96.9	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-42.9	-178.2	-79.9	-59.8	-62.1	0	0	112.2	V78 P79 C114 P168 H170 R175 L176 C177 L184 L186	V78-M173 HydrophobicContact CB-SD 3.68Å; V78-M173 HydrophobicContact CG1-SD 4.25Å; V78-M173 HydrophobicContact CG2-CE 4.09Å; V78-M173 HydrophobicContact CG2-SD 3.44Å; V78-M173 WeakPolarHBondContact CG2-SD 3.2Å; P79-M173 WeakPolarHBondContact O-CG 3.49Å; C114-M173 HydrophobicContact CB-CE 4.5Å; P168-M173 HydrophobicContact CB-CB 4.07Å; P168-M173 HydrophobicContact CB-CG 4.38Å; P168-M173 HydrophobicContact CG-CB 4.23Å; P168-M173 HydrophobicContact CG-CE 4.45Å; P168-M173 HydrophobicContact CG-CG 4.48Å; H170-M173 HydrophobicContact CB-CB 4.2Å; H170-M173 HydrophobicContact CB-CG 4.26Å; H170-M173 WeakPolarHBondContact O-CB 3.5Å; H170-M173 PolarHBondContact O-N 3.12Å; M173-R175 VanDerWaalsContact C-N 3.34Å; M173-R175 PolarHBondContact O-N 2.92Å; M173-L176 PolarHBondContact O-N 3.43Å; M173-L176 HydrophobicContact SD-CD2 4.16Å; M173-C177 PolarHBondContact O-N 3.23Å; M173-C177 PolarHBondContact O-SG 3.26Å; M173-L184 HydrophobicContact CE-CD1 4.37Å; M173-L186 HydrophobicContact CE-CD1 4.45Å; M173-L186 HydrophobicContact CE-CD2 4.43Å
174	R	97.2	Very high	97.3	Very high	90 Å²	90	36 Å²	36	34%	0.34	19%	0.191	S	C	.	.	H	α-helix	trans	-60.1	-45.6	177.6	-68.1	178.5	59.3	-167.8	-3.9	111.3	G116 I167 P168 H170 F172 C177 Q178	G116-R174 PolarHBondContact O-NE 3.37Å; I167-R174 HydrophobicContact CG2-CG 3.97Å; P168-R174 WeakPolarHBondContact O-CG 3.13Å; H170-R174 PolarHBondContact O-N 3.02Å; H170-R174 VanDerWaalsContact O-N 3.11Å; F172-R174 PolarHBondContact O-N 3.41Å; R174-C177 PolarHBondContact O-N 2.99Å; R174-Q178 VanDerWaalsContact O-CG 3.27Å; R174-Q178 WeakPolarHBondContact O-CG 3.46Å; R174-Q178 PolarHBondContact O-N 3.01Å
175	R	97.4	Very high	97.3	Very high	135 Å²	135	35.5 Å²	35.5	51%	0.509	19%	0.186	S	C	.	.	H	α-helix	trans	-68.2	-38.9	178.1	-71	154.3	-168.1	154.7	1.5	112.1	L63 A171 F172 M173 Q178 M179	L63-R175 HydrophobicContact CD1-CB 4.11Å; L63-R175 HydrophobicContact CD2-CB 4.12Å; A171-R175 VanDerWaalsContact O-CD 3.23Å; A171-R175 WeakPolarHBondContact O-CD 3.44Å; A171-R175 WeakPolarHBondContact O-CG 3.5Å; A171-R175 PolarHBondContact O-N 2.89Å; F172-R175 PolarHBondContact O-N 3.01Å; M173-R175 VanDerWaalsContact C-N 3.34Å; M173-R175 PolarHBondContact O-N 2.92Å; R175-Q178 PolarHBondContact O-N 3.46Å; R175-M179 WeakPolarHBondContact O-CB 3.44Å; R175-M179 WeakPolarHBondContact O-CG 3.37Å; R175-M179 PolarHBondContact O-N 3.21Å
176	L	98	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-48.3	175.3	-176.3	64.5	0	0	0	111.2	L63 T66 V67 L70 V78 F172 M173 M179 C180 L184	L63-L176 HydrophobicContact CD2-CB 4.08Å; L63-L176 HydrophobicContact CD2-CD1 4.43Å; T66-L176 HydrophobicContact CG2-CD1 3.7Å; T66-L176 HydrophobicContact CG2-CD2 3.96Å; T66-L176 HydrophobicContact CG2-CG 4.5Å; V67-L176 HydrophobicContact CG2-CD1 3.66Å; L70-L176 HydrophobicContact CD1-CD1 3.85Å; L70-L176 HydrophobicContact CD1-CD2 4.04Å; L70-L176 HydrophobicContact CD1-CG 4.01Å; V78-L176 HydrophobicContact CG1-CD2 3.98Å; F172-L176 HydrophobicContact CE1-CB 4.47Å; F172-L176 HydrophobicContact CE1-CD2 3.88Å; F172-L176 HydrophobicContact CZ-CD2 4.39Å; F172-L176 VanDerWaalsContact O-CB 3.27Å; F172-L176 WeakPolarHBondContact O-CB 3.23Å; F172-L176 PolarHBondContact O-N 3.35Å; M173-L176 PolarHBondContact O-N 3.43Å; M173-L176 HydrophobicContact SD-CD2 4.16Å; L176-M179 PolarHBondContact O-N 2.96Å; L176-C180 WeakPolarHBondContact O-CB 3.48Å; L176-C180 PolarHBondContact O-N 2.77Å; L176-C180 PolarHBondContact O-SG 3.43Å; L176-L184 HydrophobicContact CD2-CD1 3.88Å; L176-L184 HydrophobicContact CG-CD1 4.01Å
177	C	97.8	Very high	97	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.02	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-47.2	174.9	-73.1	0	0	0	0	112	C114 M173 R174 M179 C180 G181	C114-C177 PolarHBondContact SG-SG 3.47Å; M173-C177 PolarHBondContact O-N 3.23Å; M173-C177 PolarHBondContact O-SG 3.26Å; R174-C177 PolarHBondContact O-N 2.99Å; C177-M179 PolarHBondContact O-N 3.31Å; C177-C180 PolarHBondContact O-N 3.04Å; C177-G181 PolarHBondContact O-N 2.98Å; C177-G181 VanDerWaalsContact O-N 3.11Å
178	Q	97.2	Very high	96.6	Very high	88 Å²	88	38 Å²	38	41%	0.411	20%	0.204	S	C	.	.	H	α-helix	trans	-59	-44.7	178.4	-72.7	168.5	-22.4	0	0	112.2	R174 R175 G181	R174-Q178 VanDerWaalsContact O-CG 3.27Å; R174-Q178 WeakPolarHBondContact O-CG 3.46Å; R174-Q178 PolarHBondContact O-N 3.01Å; R175-Q178 PolarHBondContact O-N 3.46Å; Q178-G181 PolarHBondContact O-N 2.99Å
179	M	97.9	Very high	95.9	Very high	84 Å²	84	38 Å²	38	41%	0.414	20%	0.204	S	C	.	.	H	α-helix	trans	-72.7	-27.6	-179.9	-69.9	-179.5	72.3	0	0	113.7	L63 V67 K71 R175 L176 C177 G181	L63-M179 HydrophobicContact CB-SD 4.06Å; L63-M179 HydrophobicContact CD1-SD 4.35Å; L63-M179 HydrophobicContact CD2-SD 4.39Å; V67-M179 HydrophobicContact CG1-CB 4.47Å; V67-M179 HydrophobicContact CG2-CB 3.58Å; V67-M179 HydrophobicContact CG2-CE 4.24Å; V67-M179 HydrophobicContact CG2-SD 4.29Å; K71-M179 PolarHBondContact NZ-O 2.98Å; K71-M179 VanDerWaalsContact NZ-O 3.13Å; R175-M179 WeakPolarHBondContact O-CB 3.44Å; R175-M179 WeakPolarHBondContact O-CG 3.37Å; R175-M179 PolarHBondContact O-N 3.21Å; L176-M179 PolarHBondContact O-N 2.96Å; C177-M179 PolarHBondContact O-N 3.31Å; M179-G181 VanDerWaalsContact C-N 3.33Å
180	C	97.9	Very high	95.1	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-68.3	-36.4	171.2	-68.8	0	0	0	0	111.1	L89 L176 C177 E182 L184	L89-C180 HydrophobicContact CD2-CB 4.05Å; L176-C180 WeakPolarHBondContact O-CB 3.48Å; L176-C180 PolarHBondContact O-N 2.77Å; L176-C180 PolarHBondContact O-SG 3.43Å; C177-C180 PolarHBondContact O-N 3.04Å; C180-E182 VanDerWaalsContact C-N 3.26Å; C180-L184 HydrophobicContact CB-CD2 4.26Å
181	G	96.3	Very high	94.1	Very high	64 Å²	64	34 Å²	34	66%	0.66	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	9.5	-179.3	0	0	0	0	0	113.8	C177 Q178 M179	C177-G181 PolarHBondContact O-N 2.98Å; C177-G181 VanDerWaalsContact O-N 3.11Å; Q178-G181 PolarHBondContact O-N 2.99Å; M179-G181 VanDerWaalsContact C-N 3.33Å
182	E	96.1	Very high	93	Very high	56 Å²	56	33 Å²	33	26%	0.262	17%	0.173	S	C	.	.	S	Bend	trans	-155.2	161.6	-178.4	71.3	-174.9	151.9	0	0	110.4	L89 Q91 C180	L89-E182 WeakPolarHBondContact CD1-OE1 3.24Å; L89-E182 HydrophobicContact CD2-CG 3.77Å; L89-E182 WeakPolarHBondContact CD2-OE1 3.4Å; Q91-E182 WeakPolarHBondContact CB-OE2 3.42Å; Q91-E182 HydrophobicContact CG-CB 4.41Å; Q91-E182 VanDerWaalsContact CG-OE2 3.25Å; Q91-E182 WeakPolarHBondContact CG-OE2 3.42Å; C180-E182 VanDerWaalsContact C-N 3.26Å
183	P	98.1	Very high	91.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.5	144.2	-172.3	24	-26	0	0	0	110.4	A90 I113 C114 V115 Y124 L152	A90-P183 HydrophobicContact CB-CB 4.3Å; A90-P183 HydrophobicContact CB-CG 4.1Å; A90-P183 WeakPolarHBondContact CB-O 3.46Å; A90-P183 PolarHBondContact N-O 3.29Å; I113-P183 HydrophobicContact CB-CB 4.15Å; I113-P183 HydrophobicContact CD1-CB 4.19Å; C114-P183 WeakPolarHBondContact O-CA 3.42Å; V115-P183 HydrophobicContact CG1-CB 3.92Å; Y124-P183 HydrophobicContact CD1-CG 3.94Å; Y124-P183 HydrophobicContact CD2-CB 4.31Å; Y124-P183 HydrophobicContact CD2-CG 3.93Å; Y124-P183 HydrophobicContact CE1-CG 3.72Å; Y124-P183 HydrophobicContact CE2-CB 4.28Å; Y124-P183 HydrophobicContact CE2-CG 3.73Å; Y124-P183 HydrophobicContact CG-CG 4.06Å; Y124-P183 WeakPolarHBondContact OH-CD 3.48Å; L152-P183 HydrophobicContact CD1-CG 4.01Å
184	L	98.8	Very high	90.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131	171.6	-54.8	-177	0	0	0	109.1	L70 A87 C88 L89 I113 C114 M173 L176 C180	L70-L184 HydrophobicContact CD1-CD1 4.15Å; L70-L184 HydrophobicContact CD1-CD2 3.94Å; L70-L184 HydrophobicContact CD2-CD2 4.36Å; A87-L184 HydrophobicContact CB-CD1 4.49Å; C88-L184 CarbonylContact O-C 3.5Å; C88-L184 VanDerWaalsContact O-CA 3.26Å; C88-L184 WeakPolarHBondContact O-CA 3.28Å; L89-L184 HydrophobicContact CD2-CD2 3.72Å; I113-L184 CarbonylContact C-O 3.55Å; I113-L184 WeakPolarHBondContact CA-O 3.39Å; C114-L184 HydrophobicContact CB-CB 4.34Å; C114-L184 PolarHBondContact N-O 2.93Å; C114-L184 PolarHBondContact O-N 2.7Å; M173-L184 HydrophobicContact CE-CD1 4.37Å; L176-L184 HydrophobicContact CD2-CD1 3.88Å; L176-L184 HydrophobicContact CG-CD1 4.01Å; C180-L184 HydrophobicContact CB-CD2 4.26Å
185	A	98.3	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.4	163.9	0	0	0	0	0	107.5	A87 C88 A90 V96 L111 A112 L156	A87-A185 VanDerWaalsContact CA-O 3.26Å; A87-A185 WeakPolarHBondContact CA-O 3.42Å; C88-A185 PolarHBondContact N-O 2.88Å; C88-A185 PolarHBondContact O-N 3.44Å; A90-A185 HydrophobicContact CB-CB 4.1Å; V96-A185 HydrophobicContact CG2-CB 4.42Å; L111-A185 HydrophobicContact CD1-CB 4.17Å; A112-A185 WeakPolarHBondContact O-CA 3.26Å; L156-A185 HydrophobicContact CD1-CB 3.91Å
186	L	96.5	Very high	89.9	Confident	17 Å²	17	36.7 Å²	36.7	9%	0.089	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.9	-172.6	-174	68.9	0	0	0	110.9	V78 T80 A87 A112 C114 P168 M173	V78-L186 HydrophobicContact CG2-CD1 4.23Å; T80-L186 HydrophobicContact CG2-CD2 4.37Å; A87-L186 HydrophobicContact CB-CD1 4.1Å; A112-L186 PolarHBondContact N-O 3.2Å; A112-L186 PolarHBondContact O-N 2.86Å; C114-L186 HydrophobicContact CB-CB 4.18Å; C114-L186 HydrophobicContact CB-CD2 4.06Å; P168-L186 HydrophobicContact CG-CD2 4.46Å; M173-L186 HydrophobicContact CE-CD1 4.45Å; M173-L186 HydrophobicContact CE-CD2 4.43Å
187	T	93.9	Very high	89.6	Confident	19 Å²	19	36.9 Å²	36.9	12%	0.117	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164	174.3	-173.2	0	0	0	0	109.1	G85 L86 I99 K103 L111	G85-T187 CarbonylContact C-O 3.59Å; G85-T187 WeakPolarHBondContact CA-O 3.46Å; L86-T187 HydrophobicContact CB-CG2 4.29Å; L86-T187 PolarHBondContact N-O 2.87Å; L86-T187 PolarHBondContact O-N 3.49Å; L86-T187 VanDerWaalsContact O-N 3.17Å; I99-T187 HydrophobicContact CG2-CG2 3.93Å; K103-T187 HydrophobicContact CD-CG2 3.29Å; K103-T187 VanDerWaalsContact CE-OG1 3.31Å; K103-T187 WeakPolarHBondContact CE-OG1 3.4Å; L111-T187 HydrophobicContact CD2-CG2 3.9Å
188	S	89.3	Confident	89.4	Confident	31 Å²	31	37.3 Å²	37.3	22%	0.217	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	149.1	-177.9	54.4	0	0	0	0	112.8	Y84 K103 N190	Y84-S188 CarbonylContact O-C 3.43Å; Y84-S188 WeakPolarHBondContact O-CA 3.28Å; K103-S188 PolarHBondContact NZ-O 2.83Å; K103-S188 PolarHBondContact NZ-OG 3.17Å; S188-N190 VanDerWaalsContact C-N 3.28Å; S188-N190 WeakPolarHBondContact CB-OD1 3.19Å; S188-N190 PolarHBondContact O-N 3.44Å; S188-N190 VanDerWaalsContact O-N 3.07Å; S188-N190 PolarHBondContact OG-OD1 3.15Å
189	A	83.3	Confident	89.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-85.7	64.8	179.6	0	0	0	0	0	112.1	Y84 L86 T197 F203	Y84-A189 PolarHBondContact O-N 2.76Å; L86-A189 HydrophobicContact CD2-CB 3.89Å; L86-A189 HydrophobicContact CG-CB 4.26Å; A189-T197 VanDerWaalsContact O-CG2 3.28Å; A189-T197 WeakPolarHBondContact O-CG2 3.42Å; A189-T197 PolarHBondContact O-OG1 2.76Å; A189-F203 HydrophobicContact CB-CD1 4.06Å; A189-F203 HydrophobicContact CB-CD2 4.38Å; A189-F203 HydrophobicContact CB-CE1 4.15Å; A189-F203 HydrophobicContact CB-CG 4.15Å; A189-F203 HydrophobicContact CB-CZ 4.4Å; A189-F203 VanDerWaalsContact O-CB 3.29Å; A189-F203 WeakPolarHBondContact O-CB 3.42Å
190	N	80.7	Confident	89.2	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.027	21%	0.212	C	C	.	.	S	Bend	trans	-153.7	157.3	178.1	71.2	-65.4	0	0	0	110.7	K103 S188 T194 T197	K103-N190 PolarHBondContact NZ-O 2.77Å; S188-N190 VanDerWaalsContact C-N 3.28Å; S188-N190 WeakPolarHBondContact CB-OD1 3.19Å; S188-N190 PolarHBondContact O-N 3.44Å; S188-N190 VanDerWaalsContact O-N 3.07Å; S188-N190 PolarHBondContact OG-OD1 3.15Å; N190-T194 WeakPolarHBondContact CB-OG1 3.35Å; N190-T194 PolarHBondContact ND2-O 2.9Å; N190-T194 PolarHBondContact ND2-OG1 2.96Å; N190-T197 HydrophobicContact CB-CG2 4.21Å
191	I	73.4	Confident	89	Confident	53 Å²	53	37.2 Å²	37.2	27%	0.272	23%	0.23	S	C	.	.	S	Bend	trans	-58.7	141.2	168.1	-62.5	173.9	0	0	0	108.6	S193 T194 E205 L206	I191-S193 PolarHBondContact O-N 2.89Å; I191-T194 HydrophobicContact CB-CG2 3.97Å; I191-T194 HydrophobicContact CG2-CG2 4.37Å; I191-T194 PolarHBondContact O-N 2.91Å; I191-T194 VanDerWaalsContact O-N 3.12Å; I191-T194 PolarHBondContact O-OG1 3.23Å; I191-E205 HydrophobicContact CD1-CG 4.31Å; I191-L206 HydrophobicContact CG1-CD2 3.95Å
192	S	72.1	Confident	88.9	Confident	27 Å²	27	36.5 Å²	36.5	19%	0.189	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.8	-175.7	-176.9	0	0	0	0	111.6	K103 T194	K103-S192 WeakPolarHBondContact O-CB 3.26Å; K103-S192 PolarHBondContact O-N 2.81Å; K103-S192 VanDerWaalsContact O-N 3.08Å; S192-T194 VanDerWaalsContact C-N 3.3Å; S192-T194 PolarHBondContact O-N 2.87Å
193	S	71.4	Confident	88.8	Confident	110 Å²	110	33.9 Å²	33.9	77%	0.769	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	10.5	178	-39.4	0	0	0	0	115.7	I191	I191-S193 PolarHBondContact O-N 2.89Å
194	T	78.3	Confident	88.5	Confident	72 Å²	72	39.1 Å²	39.1	44%	0.442	22%	0.222	S	C	.	.	S	Bend	trans	-91.9	173.5	166.9	68.7	0	0	0	0	111.6	N190 I191 S192	N190-T194 WeakPolarHBondContact CB-OG1 3.35Å; N190-T194 PolarHBondContact ND2-O 2.9Å; N190-T194 PolarHBondContact ND2-OG1 2.96Å; I191-T194 HydrophobicContact CB-CG2 3.97Å; I191-T194 HydrophobicContact CG2-CG2 4.37Å; I191-T194 PolarHBondContact O-N 2.91Å; I191-T194 VanDerWaalsContact O-N 3.12Å; I191-T194 PolarHBondContact O-OG1 3.23Å; S192-T194 VanDerWaalsContact C-N 3.3Å; S192-T194 PolarHBondContact O-N 2.87Å
195	T	85.1	Confident	88.2	Confident	101 Å²	101	43.9 Å²	43.9	62%	0.62	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-55.9	136.6	176.9	-50.3	0	0	0	0	111.2
196	S	88.3	Confident	87.9	Confident	31 Å²	31	44 Å²	44	22%	0.217	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-59.7	146.6	172.5	-53.7	0	0	0	0	110.7	R224	S196-R224 VanDerWaalsContact CB-O 3.23Å; S196-R224 WeakPolarHBondContact CB-O 3.44Å; S196-R224 PolarHBondContact O-NE 2.93Å; S196-R224 VanDerWaalsContact O-NE 3.17Å; S196-R224 PolarHBondContact O-NH2 2.82Å; S196-R224 PolarHBondContact OG-O 3.26Å; S196-R224 VanDerWaalsContact OG-O 3.06Å
197	T	91.6	Very high	87.8	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.031	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-103.1	138.1	-177.7	49.8	0	0	0	0	112.5	I83 Y84 A189 N190 E202 F203	I83-T197 CarbonylContact C-O 3.53Å; I83-T197 WeakPolarHBondContact CA-O 3.33Å; I83-T197 WeakPolarHBondContact CB-O 3.16Å; Y84-T197 PolarHBondContact N-O 2.96Å; A189-T197 VanDerWaalsContact O-CG2 3.28Å; A189-T197 WeakPolarHBondContact O-CG2 3.42Å; A189-T197 PolarHBondContact O-OG1 2.76Å; N190-T197 HydrophobicContact CB-CG2 4.21Å; T197-E202 WeakPolarHBondContact CA-OE2 3.39Å; T197-E202 HydrophobicContact CG2-CB 3.7Å; T197-F203 HydrophobicContact CG2-CB 4.16Å; T197-F203 HydrophobicContact CG2-CD1 4.01Å
198	V	93.8	Very high	87.8	Confident	12 Å²	12	48.1 Å²	48.1	7%	0.073	27%	0.268	C	S	.	.	S	Bend	trans	-124.3	-7.9	-176.9	-66.9	0	0	0	0	112.6	I83 Y84 E202 P218 I219 R224	I83-V198 HydrophobicContact CG2-CG1 4.38Å; Y84-V198 VanDerWaalsContact CE2-O 3.27Å; Y84-V198 WeakPolarHBondContact CE2-O 3.19Å; V198-E202 PolarHBondContact N-OE2 3.04Å; V198-P218 WeakPolarHBondContact O-CA 3.32Å; V198-I219 WeakPolarHBondContact CB-O 3.3Å; V198-I219 WeakPolarHBondContact CG1-O 3.41Å; V198-I219 WeakPolarHBondContact O-CG1 3.46Å; V198-I219 PolarHBondContact O-N 2.82Å; V198-R224 HydrophobicContact CG1-CB 4.35Å; V198-R224 HydrophobicContact CG1-CG 4.05Å; V198-R224 VanDerWaalsContact CG2-NH1 3.27Å
199	E	94.6	Very high	88.1	Confident	69 Å²	69	51.4 Å²	51.4	32%	0.322	28%	0.278	S	S	.	.	S	Bend	trans	-138.1	151.5	173.3	-70.3	-176.1	-121.8	0	0	110.6	H201 E202 F203 P218	E199-H201 VanDerWaalsContact CD-CE1 3.45Å; E199-H201 PolarHBondContact O-N 3.41Å; E199-H201 IonicContact OE1-CE1 3.9Å; E199-H201 IonicContact OE2-CE1 2.68Å; E199-H201 PolarHBondContact OE2-CE1 2.87Å; E199-H201 IonicContact OE2-ND1 2.7Å; E199-H201 PolarHBondContact OE2-ND1 2.56Å; E199-E202 HydrophobicContact CB-CG 4.19Å; E199-E202 PolarHBondContact N-OE2 3.02Å; E199-E202 WeakPolarHBondContact O-CB 3.26Å; E199-E202 PolarHBondContact O-N 3.46Å; E199-F203 WeakPolarHBondContact O-CE1 3.37Å; E199-P218 HydrophobicContact CG-CB 3.92Å; E199-P218 HydrophobicContact CG-CG 4.03Å
200	V	95.1	Very high	88.7	Confident	14 Å²	14	51.4 Å²	51.4	9%	0.085	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-63.7	-27.6	-174.6	-63.4	0	0	0	0	114.3	Y84 E202 F203 W207 V213 D215	Y84-V200 HydrophobicContact CD1-CG1 4.36Å; Y84-V200 HydrophobicContact CE1-CG1 3.6Å; Y84-V200 HydrophobicContact CE2-CG1 4.48Å; V200-E202 PolarHBondContact O-N 3.41Å; V200-F203 VanDerWaalsContact CA-CE1 3.44Å; V200-F203 HydrophobicContact CB-CE1 4.36Å; V200-F203 HydrophobicContact CB-CZ 4.07Å; V200-F203 HydrophobicContact CG1-CE1 4.47Å; V200-F203 HydrophobicContact CG1-CZ 4.04Å; V200-W207 HydrophobicContact CB-CZ2 4.05Å; V200-W207 HydrophobicContact CG2-CZ2 4.26Å; V200-W207 WeakPolarHBondContact O-CZ2 3.05Å; V200-W207 PolarHBondContact O-NE1 3.18Å; V200-V213 HydrophobicContact CB-CG1 4.13Å; V200-V213 HydrophobicContact CG1-CG1 3.91Å; V200-D215 HydrophobicContact CG1-CB 3.77Å; V200-D215 HydrophobicContact CG2-CB 4.29Å
201	H	93.6	Very high	89.5	Confident	95 Å²	95	51.8 Å²	51.8	44%	0.44	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-70.8	-23	-178.4	71.4	-101.7	0	0	0	112.5	E199 F203 Q204	E199-H201 VanDerWaalsContact CD-CE1 3.45Å; E199-H201 PolarHBondContact O-N 3.41Å; E199-H201 IonicContact OE1-CE1 3.9Å; E199-H201 IonicContact OE2-CE1 2.68Å; E199-H201 PolarHBondContact OE2-CE1 2.87Å; E199-H201 IonicContact OE2-ND1 2.7Å; E199-H201 PolarHBondContact OE2-ND1 2.56Å; H201-F203 PolarHBondContact O-N 2.95Å; H201-Q204 WeakPolarHBondContact O-CG 3.49Å; H201-Q204 PolarHBondContact O-N 3.11Å
202	E	94.2	Very high	90.7	Very high	50 Å²	50	49.3 Å²	49.3	23%	0.234	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-76.7	-7.8	-174.8	-57.8	-179.2	141.3	0	0	114	T197 V198 E199 V200 R224	T197-E202 WeakPolarHBondContact CA-OE2 3.39Å; T197-E202 HydrophobicContact CG2-CB 3.7Å; V198-E202 PolarHBondContact N-OE2 3.04Å; E199-E202 HydrophobicContact CB-CG 4.19Å; E199-E202 PolarHBondContact N-OE2 3.02Å; E199-E202 WeakPolarHBondContact O-CB 3.26Å; E199-E202 PolarHBondContact O-N 3.46Å; V200-E202 PolarHBondContact O-N 3.41Å; E202-R224 IonicContact OE1-CZ 3.3Å; E202-R224 VanDerWaalsContact OE1-CZ 3.24Å; E202-R224 IonicContact OE1-NH1 2.64Å; E202-R224 PolarHBondContact OE1-NH1 3.07Å; E202-R224 IonicContact OE1-NH2 3.21Å; E202-R224 PolarHBondContact OE1-NH2 3.43Å; E202-R224 IonicContact OE2-CZ 3.24Å; E202-R224 IonicContact OE2-NH1 2.78Å; E202-R224 IonicContact OE2-NH2 2.79Å; E202-R224 PolarHBondContact OE2-NH2 3.25Å
203	F	93.9	Very high	91.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-129.1	27.1	175.6	57.2	-91.2	0	0	0	112.8	A77 Y84 A189 T197 E199 V200 H201 E205 L206 W207 V213	A77-F203 HydrophobicContact CB-CD2 4.49Å; A77-F203 HydrophobicContact CB-CE2 3.54Å; A77-F203 HydrophobicContact CB-CZ 3.92Å; Y84-F203 AromaticContact CD1-CE1 3.86Å; Y84-F203 HydrophobicContact CD1-CE1 3.86Å; Y84-F203 AromaticContact CD1-CZ 3.81Å; Y84-F203 HydrophobicContact CD1-CZ 3.81Å; Y84-F203 HydrophobicContact CD2-CE1 4.25Å; Y84-F203 HydrophobicContact CE1-CZ 4.44Å; Y84-F203 AromaticContact CG-CE1 3.66Å; Y84-F203 HydrophobicContact CG-CE1 3.66Å; Y84-F203 HydrophobicContact CG-CZ 4.1Å; A189-F203 HydrophobicContact CB-CD1 4.06Å; A189-F203 HydrophobicContact CB-CD2 4.38Å; A189-F203 HydrophobicContact CB-CE1 4.15Å; A189-F203 HydrophobicContact CB-CG 4.15Å; A189-F203 HydrophobicContact CB-CZ 4.4Å; A189-F203 VanDerWaalsContact O-CB 3.29Å; A189-F203 WeakPolarHBondContact O-CB 3.42Å; T197-F203 HydrophobicContact CG2-CB 4.16Å; T197-F203 HydrophobicContact CG2-CD1 4.01Å; E199-F203 WeakPolarHBondContact O-CE1 3.37Å; V200-F203 VanDerWaalsContact CA-CE1 3.44Å; V200-F203 HydrophobicContact CB-CE1 4.36Å; V200-F203 HydrophobicContact CB-CZ 4.07Å; V200-F203 HydrophobicContact CG1-CE1 4.47Å; V200-F203 HydrophobicContact CG1-CZ 4.04Å; H201-F203 PolarHBondContact O-N 2.95Å; F203-E205 VanDerWaalsContact CA-OE2 3.24Å; F203-E205 WeakPolarHBondContact CA-OE2 3.31Å; F203-E205 PolarHBondContact O-N 3.11Å; F203-E205 VanDerWaalsContact O-N 3.15Å; F203-L206 HydrophobicContact CB-CD1 4.24Å; F203-L206 WeakPolarHBondContact O-CB 3.34Å; F203-L206 PolarHBondContact O-N 3.34Å; F203-W207 AromaticContact CD2-CD1 3.72Å; F203-W207 AromaticContact CD2-NE1 3.46Å; F203-W207 AromaticContact CE2-CD1 3.99Å; F203-W207 AromaticContact CE2-NE1 3.48Å; F203-V213 HydrophobicContact CE2-CG1 3.94Å; F203-V213 HydrophobicContact CE2-CG2 4.37Å; F203-V213 HydrophobicContact CZ-CG1 4.11Å
204	Q	93.1	Very high	93.1	Very high	110 Å²	110	42.8 Å²	42.8	51%	0.514	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55.1	-30.4	179	-82.5	176.1	1.1	0	0	113.4	H201 L206 W207	H201-Q204 WeakPolarHBondContact O-CG 3.49Å; H201-Q204 PolarHBondContact O-N 3.11Å; Q204-L206 PolarHBondContact O-N 3.48Å; Q204-W207 VanDerWaalsContact CA-CD1 3.49Å; Q204-W207 HydrophobicContact CG-CD2 4.22Å; Q204-W207 HydrophobicContact CG-CH2 4.32Å; Q204-W207 HydrophobicContact CG-CZ2 3.86Å; Q204-W207 WeakPolarHBondContact O-CB 3.41Å; Q204-W207 PolarHBondContact O-N 3.29Å; Q204-W207 VanDerWaalsContact O-N 3.08Å
205	E	91.7	Very high	94	Very high	101 Å²	101	39.9 Å²	39.9	47%	0.472	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-62.4	-22	175.9	74.1	-77.8	-174.9	0	0	113.5	I191 F203	I191-E205 HydrophobicContact CD1-CG 4.31Å; F203-E205 VanDerWaalsContact CA-OE2 3.24Å; F203-E205 WeakPolarHBondContact CA-OE2 3.31Å; F203-E205 PolarHBondContact O-N 3.11Å; F203-E205 VanDerWaalsContact O-N 3.15Å
206	L	92.7	Very high	94.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-87.8	-16.6	176.8	-60.1	-177.3	0	0	0	112.7	L86 V102 I191 F203 Q204 S208 K209 L210	L86-L206 HydrophobicContact CD1-CD1 4.33Å; V102-L206 HydrophobicContact CG1-CD2 4.19Å; I191-L206 HydrophobicContact CG1-CD2 3.95Å; F203-L206 HydrophobicContact CB-CD1 4.24Å; F203-L206 WeakPolarHBondContact O-CB 3.34Å; F203-L206 PolarHBondContact O-N 3.34Å; Q204-L206 PolarHBondContact O-N 3.48Å; L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 PolarHBondContact O-N 3.29Å; L206-K209 WeakPolarHBondContact O-CB 3.49Å; L206-K209 PolarHBondContact O-N 2.99Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å
207	W	94.2	Very high	94.7	Very high	50 Å²	50	35 Å²	35	19%	0.189	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.2	-41.9	-166.3	-75.9	21.2	0	0	0	113.1	T36 L38 V200 F203 Q204 K209 L210 V213	T36-W207 HydrophobicContact CG2-CB 4.19Å; T36-W207 VanDerWaalsContact OG1-C 3.24Å; T36-W207 PolarHBondContact OG1-O 3.19Å; L38-W207 HydrophobicContact CD1-CH2 3.86Å; L38-W207 HydrophobicContact CD1-CZ2 4.25Å; L38-W207 HydrophobicContact CD1-CZ3 4.46Å; L38-W207 HydrophobicContact CD2-CH2 3.95Å; L38-W207 HydrophobicContact CD2-CZ3 4.31Å; L38-W207 HydrophobicContact CG-CH2 4.41Å; V200-W207 HydrophobicContact CB-CZ2 4.05Å; V200-W207 HydrophobicContact CG2-CZ2 4.26Å; V200-W207 WeakPolarHBondContact O-CZ2 3.05Å; V200-W207 PolarHBondContact O-NE1 3.18Å; F203-W207 AromaticContact CD2-CD1 3.72Å; F203-W207 AromaticContact CD2-NE1 3.46Å; F203-W207 AromaticContact CE2-CD1 3.99Å; F203-W207 AromaticContact CE2-NE1 3.48Å; Q204-W207 VanDerWaalsContact CA-CD1 3.49Å; Q204-W207 HydrophobicContact CG-CD2 4.22Å; Q204-W207 HydrophobicContact CG-CH2 4.32Å; Q204-W207 HydrophobicContact CG-CZ2 3.86Å; Q204-W207 WeakPolarHBondContact O-CB 3.41Å; Q204-W207 PolarHBondContact O-N 3.29Å; Q204-W207 VanDerWaalsContact O-N 3.08Å; W207-K209 PolarHBondContact O-N 2.96Å; W207-L210 WeakPolarHBondContact O-CA 3.38Å; W207-L210 WeakPolarHBondContact O-CB 3.45Å; W207-L210 PolarHBondContact O-N 2.94Å; W207-V213 HydrophobicContact CD2-CG2 4.04Å; W207-V213 HydrophobicContact CG-CG2 3.97Å; W207-V213 HydrophobicContact CZ2-CG1 4.16Å
208	S	94	Very high	94.8	Very high	73 Å²	73	39.3 Å²	39.3	51%	0.51	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-58.3	-18.3	179	58.7	0	0	0	0	114.1	L206	L206-S208 VanDerWaalsContact C-N 3.33Å; L206-S208 PolarHBondContact O-N 3.29Å
209	K	94.8	Very high	94.7	Very high	99 Å²	99	40 Å²	40	43%	0.43	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-95.6	-0.4	177.3	-54.2	178	-177	177.9	0	113.1	V102 L206 W207	V102-K209 HydrophobicContact CB-CD 4.28Å; V102-K209 HydrophobicContact CG1-CB 4.24Å; V102-K209 HydrophobicContact CG1-CD 4Å; V102-K209 HydrophobicContact CG2-CB 3.77Å; V102-K209 HydrophobicContact CG2-CD 3.95Å; V102-K209 HydrophobicContact CG2-CG 4.43Å; L206-K209 WeakPolarHBondContact O-CB 3.49Å; L206-K209 PolarHBondContact O-N 2.99Å; W207-K209 PolarHBondContact O-N 2.96Å
210	L	96.1	Very high	94	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.22	C	C	.	.			trans	-114.6	142.8	-175.4	-51.1	178.4	0	0	0	110.5	T36 I75 A77 L86 L206 W207 V213	T36-L210 HydrophobicContact CG2-CB 4.27Å; T36-L210 WeakPolarHBondContact CG2-O 3.23Å; T36-L210 PolarHBondContact OG1-O 3.26Å; I75-L210 HydrophobicContact CB-CD2 4.01Å; I75-L210 HydrophobicContact CG2-CD2 3.58Å; A77-L210 HydrophobicContact CB-CD1 3.74Å; L86-L210 HydrophobicContact CD2-CD1 4.01Å; L86-L210 HydrophobicContact CD2-CD2 3.87Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; W207-L210 WeakPolarHBondContact O-CA 3.38Å; W207-L210 WeakPolarHBondContact O-CB 3.45Å; W207-L210 PolarHBondContact O-N 2.94Å; L210-V213 HydrophobicContact CD1-CG2 3.9Å
211	A	97.4	Very high	93.2	Very high	12 Å²	12	42.2 Å²	42.2	10%	0.099	24%	0.237	C	C	.	.	S	Bend	trans	-80.2	-37.5	173.3	0	0	0	0	0	112	K37 A69 H74 I75	K37-A211 PolarHBondContact N-O 3.16Å; A69-A211 HydrophobicContact CB-CB 4.17Å; H74-A211 HydrophobicContact CB-CB 3.48Å; H74-A211 VanDerWaalsContact CB-CB 3.48Å; I75-A211 PolarHBondContact O-N 3.39Å
212	V	97.8	Very high	92.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.1	-177.4	179.5	0	0	0	0	109.7	K37 L39 A69 V76 A77 V214	K37-V212 HydrophobicContact CB-CG2 4.48Å; K37-V212 CarbonylContact O-C 3.51Å; K37-V212 VanDerWaalsContact O-CA 3.31Å; K37-V212 WeakPolarHBondContact O-CA 3.18Å; L39-V212 HydrophobicContact CD1-CG1 3.6Å; L39-V212 HydrophobicContact CG-CG1 4.06Å; A69-V212 HydrophobicContact CB-CG2 3.73Å; V76-V212 CarbonylContact C-O 3.56Å; V76-V212 VanDerWaalsContact CA-O 3.25Å; V76-V212 WeakPolarHBondContact CA-O 3.39Å; V76-V212 HydrophobicContact CB-CB 4.2Å; V76-V212 HydrophobicContact CG1-CB 3.83Å; V76-V212 HydrophobicContact CG1-CG2 4.33Å; A77-V212 PolarHBondContact N-O 3.47Å; V212-V214 HydrophobicContact CG1-CG2 3.84Å
213	V	97.9	Very high	92	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.2	163.6	176.9	0	0	0	0	106.6	T36 K37 L38 L39 A77 V200 F203 W207 L210	T36-V213 HydrophobicContact CG2-CG2 3.7Å; K37-V213 PolarHBondContact O-N 3.5Å; L38-V213 CarbonylContact C-O 3.51Å; L38-V213 WeakPolarHBondContact CA-O 3.1Å; L38-V213 HydrophobicContact CD1-CB 3.93Å; L38-V213 HydrophobicContact CD1-CG1 3.7Å; L39-V213 PolarHBondContact N-O 3.28Å; A77-V213 HydrophobicContact CB-CB 4.48Å; A77-V213 HydrophobicContact CB-CG1 4.3Å; A77-V213 HydrophobicContact CB-CG2 4.2Å; V200-V213 HydrophobicContact CB-CG1 4.13Å; V200-V213 HydrophobicContact CG1-CG1 3.91Å; F203-V213 HydrophobicContact CE2-CG1 3.94Å; F203-V213 HydrophobicContact CE2-CG2 4.37Å; F203-V213 HydrophobicContact CZ-CG1 4.11Å; W207-V213 HydrophobicContact CD2-CG2 4.04Å; W207-V213 HydrophobicContact CG-CG2 3.97Å; W207-V213 HydrophobicContact CZ2-CG1 4.16Å; L210-V213 HydrophobicContact CD1-CG2 3.9Å
214	V	97.6	Very high	91.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.3	173.2	-177.7	0	0	0	0	107.8	L39 L41 V62 T66 A77 V78 P79 Y84 F172 V212	L39-V214 CarbonylContact O-C 3.58Å; L39-V214 WeakPolarHBondContact O-CA 3.25Å; L41-V214 HydrophobicContact CD1-CG1 3.85Å; L41-V214 HydrophobicContact CD2-CG1 3.96Å; L41-V214 HydrophobicContact CG-CG1 3.69Å; V62-V214 HydrophobicContact CG1-CG1 3.93Å; V62-V214 HydrophobicContact CG1-CG2 4.21Å; T66-V214 HydrophobicContact CG2-CG2 4.16Å; T66-V214 WeakPolarHBondContact OG1-CG2 3.49Å; A77-V214 PolarHBondContact O-N 3.03Å; V78-V214 HydrophobicContact CG1-CB 4.48Å; V78-V214 HydrophobicContact CG1-CG2 4.25Å; P79-V214 WeakPolarHBondContact CD-O 3.33Å; P79-V214 HydrophobicContact CG-CG1 4.41Å; Y84-V214 WeakPolarHBondContact CE1-O 3.33Å; F172-V214 HydrophobicContact CE1-CB 4.36Å; F172-V214 HydrophobicContact CE1-CG1 3.98Å; F172-V214 HydrophobicContact CE1-CG2 4.12Å; F172-V214 HydrophobicContact CE2-CG1 4.33Å; F172-V214 HydrophobicContact CZ-CB 4.37Å; F172-V214 HydrophobicContact CZ-CG1 3.9Å; F172-V214 HydrophobicContact CZ-CG2 3.82Å; V212-V214 HydrophobicContact CG1-CG2 3.84Å
215	D	96.8	Very high	91.8	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.2	177	-172.8	0.3	0	0	0	109.8	L38 L39 R40 L41 Y42 V200 G217	L38-D215 HydrophobicContact CD1-CB 4.05Å; L39-D215 PolarHBondContact O-N 3.03Å; R40-D215 WeakPolarHBondContact CA-O 3.4Å; R40-D215 HydrophobicContact CG-CB 4.09Å; R40-D215 IonicContact NE-OD2 2.9Å; L41-D215 PolarHBondContact N-O 3.27Å; Y42-D215 PolarHBondContact OH-OD1 2.83Å; Y42-D215 PolarHBondContact OH-OD2 3.18Å; V200-D215 HydrophobicContact CG1-CB 3.77Å; V200-D215 HydrophobicContact CG2-CB 4.29Å; D215-G217 PolarHBondContact OD1-N 3.02Å
216	G	94.4	Very high	91.9	Very high	23 Å²	23	46.4 Å²	46.4	24%	0.237	26%	0.261	C	S	.	.			trans	-94.2	4.7	173.6	0	0	0	0	0	113.5	Y84	Y84-G216 PolarHBondContact OH-N 2.88Å
217	G	93.9	Very high	92.1	Very high	6 Å²	6	46.6 Å²	46.6	6%	0.062	26%	0.263	C	S	.	.			trans	85	-172.7	-173.8	0	0	0	0	0	112	Y42 Y84 D215	Y42-G217 VanDerWaalsContact CE1-CA 3.46Å; Y84-G217 WeakPolarHBondContact CE2-O 3.48Å; Y84-G217 PolarHBondContact OH-N 2.88Å; Y84-G217 PolarHBondContact OH-O 3.18Å; D215-G217 PolarHBondContact OD1-N 3.02Å
218	P	92.6	Very high	92.2	Very high	95 Å²	95	44.2 Å²	44.2	62%	0.617	25%	0.254	S	S	*	.	S	Bend	trans	-62.3	132.3	173.4	-20.4	32.8	0	0	0	111.3	V198 E199	V198-P218 WeakPolarHBondContact O-CA 3.32Å; E199-P218 HydrophobicContact CG-CB 3.92Å; E199-P218 HydrophobicContact CG-CG 4.03Å
219	I	91.8	Very high	92.4	Very high	27 Å²	27	41.6 Å²	41.6	14%	0.138	24%	0.235	C	C	.	.			trans	-129.6	169	179.4	60.1	173.2	0	0	0	111.8	P79 T80 I83 Y84 V198	P79-I219 HydrophobicContact CB-CD1 4.33Å; P79-I219 HydrophobicContact CB-CG2 4.47Å; T80-I219 VanDerWaalsContact O-CD1 3.25Å; T80-I219 WeakPolarHBondContact O-CD1 3.47Å; I83-I219 VanDerWaalsContact C-CD1 3.41Å; Y84-I219 HydrophobicContact CD2-CD1 3.5Å; Y84-I219 HydrophobicContact CD2-CG1 3.78Å; Y84-I219 HydrophobicContact CE2-CD1 3.68Å; Y84-I219 HydrophobicContact CE2-CG1 3.69Å; Y84-I219 HydrophobicContact CG-CD1 4.1Å; V198-I219 WeakPolarHBondContact CB-O 3.3Å; V198-I219 WeakPolarHBondContact CG1-O 3.41Å; V198-I219 WeakPolarHBondContact O-CG1 3.46Å; V198-I219 PolarHBondContact O-N 2.82Å
220	G	81.5	Confident	92.6	Very high	50 Å²	50	36.9 Å²	36.9	52%	0.515	22%	0.215	S	C	.	.	S	Bend	trans	74	-171	177.6	0	0	0	0	0	113.7	T82	T82-G220 VanDerWaalsContact O-CA 3.23Å; T82-G220 WeakPolarHBondContact O-CA 3.32Å
221	D	78.3	Confident	92.7	Very high	79 Å²	79	37.4 Å²	37.4	42%	0.422	22%	0.217	S	C	.	.			trans	-116.3	179.1	-179.6	64.4	22.9	0	0	0	111.6	T223 R224	D221-T223 PolarHBondContact O-N 2.85Å; D221-T223 VanDerWaalsContact O-N 3.12Å; D221-T223 WeakPolarHBondContact OD1-CA 3.48Å; D221-T223 VanDerWaalsContact OD1-CB 3.25Å; D221-T223 WeakPolarHBondContact OD1-CB 3.4Å; D221-T223 PolarHBondContact OD1-N 3.44Å; D221-T223 PolarHBondContact OD1-OG1 2.74Å; D221-T223 PolarHBondContact OD2-OG1 2.87Å; D221-R224 WeakPolarHBondContact O-CG 3.31Å; D221-R224 PolarHBondContact O-N 2.79Å; D221-R224 PolarHBondContact OD1-N 2.55Å; D221-R224 VanDerWaalsContact OD1-N 3.11Å
222	E	77.9	Confident	92.7	Very high	198 Å²	198	37 Å²	37	93%	0.925	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.4	177.5	-62.1	-174.6	174.2	0	0	113.3	R224	E222-R224 VanDerWaalsContact C-N 3.31Å
223	T	83.3	Confident	92.7	Very high	79 Å²	79	37.7 Å²	37.7	49%	0.485	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.8	179.3	82.7	0	0	0	0	112.2	D221 Q225	D221-T223 PolarHBondContact O-N 2.85Å; D221-T223 VanDerWaalsContact O-N 3.12Å; D221-T223 WeakPolarHBondContact OD1-CA 3.48Å; D221-T223 VanDerWaalsContact OD1-CB 3.25Å; D221-T223 WeakPolarHBondContact OD1-CB 3.4Å; D221-T223 PolarHBondContact OD1-N 3.44Å; D221-T223 PolarHBondContact OD1-OG1 2.74Å; D221-T223 PolarHBondContact OD2-OG1 2.87Å; T223-Q225 PolarHBondContact O-N 2.67Å; T223-Q225 WeakPolarHBondContact OG1-CG 3.25Å; T223-Q225 PolarHBondContact OG1-N 2.7Å
224	R	90.6	Very high	92.6	Very high	67 Å²	67	40.7 Å²	40.7	25%	0.253	24%	0.236	S	C	.	.			trans	53.2	26.8	179.6	-54.1	171.4	67.3	116.5	-4	112.3	S196 V198 E202 D221 E222	S196-R224 VanDerWaalsContact CB-O 3.23Å; S196-R224 WeakPolarHBondContact CB-O 3.44Å; S196-R224 PolarHBondContact O-NE 2.93Å; S196-R224 VanDerWaalsContact O-NE 3.17Å; S196-R224 PolarHBondContact O-NH2 2.82Å; S196-R224 PolarHBondContact OG-O 3.26Å; S196-R224 VanDerWaalsContact OG-O 3.06Å; V198-R224 HydrophobicContact CG1-CB 4.35Å; V198-R224 HydrophobicContact CG1-CG 4.05Å; V198-R224 VanDerWaalsContact CG2-NH1 3.27Å; E202-R224 IonicContact OE1-CZ 3.3Å; E202-R224 VanDerWaalsContact OE1-CZ 3.24Å; E202-R224 IonicContact OE1-NH1 2.64Å; E202-R224 PolarHBondContact OE1-NH1 3.07Å; E202-R224 IonicContact OE1-NH2 3.21Å; E202-R224 PolarHBondContact OE1-NH2 3.43Å; E202-R224 IonicContact OE2-CZ 3.24Å; E202-R224 IonicContact OE2-NH1 2.78Å; E202-R224 IonicContact OE2-NH2 2.79Å; E202-R224 PolarHBondContact OE2-NH2 3.25Å; D221-R224 WeakPolarHBondContact O-CG 3.31Å; D221-R224 PolarHBondContact O-N 2.79Å; D221-R224 PolarHBondContact OD1-N 2.55Å; D221-R224 VanDerWaalsContact OD1-N 3.11Å; E222-R224 VanDerWaalsContact C-N 3.31Å
225	Q	91.8	Very high	92.5	Very high	91 Å²	91	44.4 Å²	44.4	43%	0.425	26%	0.261	S	S	.	.			trans	-75.5	138.1	-180	-72.7	-176.3	-13.2	0	0	110.1	T223 G244 C245	T223-Q225 PolarHBondContact O-N 2.67Å; T223-Q225 WeakPolarHBondContact OG1-CG 3.25Å; T223-Q225 PolarHBondContact OG1-N 2.7Å; Q225-G244 VanDerWaalsContact OE1-C 3.3Å; Q225-G244 PolarHBondContact OE1-O 3.16Å; Q225-C245 HydrophobicContact CB-CB 4.1Å
226	G	94.4	Very high	92.5	Very high	9 Å²	9	46.2 Å²	46.2	9%	0.093	28%	0.282	C	S	.	.			trans	-72	-177.4	168.9	0	0	0	0	0	111.7	G244 C245	G226-G244 VanDerWaalsContact O-CA 3.23Å; G226-G244 WeakPolarHBondContact O-CA 3.45Å; G226-C245 PolarHBondContact O-N 3.08Å
227	S	96.2	Very high	92.6	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	29%	0.288	C	S	.	.			trans	-55.4	146.3	174.4	53.7	0	0	0	0	113.1	P141 T143 R242	P141-S227 CarbonylContact O-C 3.51Å; P141-S227 WeakPolarHBondContact O-CA 3.27Å; P141-S227 WeakPolarHBondContact O-CB 3.45Å; T143-S227 PolarHBondContact OG1-OG 2.92Å; S227-R242 PolarHBondContact O-NE 2.64Å; S227-R242 PolarHBondContact O-NH2 3.36Å; S227-R242 PolarHBondContact OG-NH2 3.36Å
228	T	97.8	Very high	92.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.4	166	-60.4	0	0	0	0	108.9	P141 V142 T143 I230 G244 A246 L247	P141-T228 PolarHBondContact O-N 2.97Å; V142-T228 CarbonylContact C-O 3.59Å; V142-T228 WeakPolarHBondContact CA-O 3.37Å; T143-T228 PolarHBondContact N-O 2.82Å; T228-I230 HydrophobicContact CG2-CD1 3.76Å; T228-I230 HydrophobicContact CG2-CG1 4.05Å; T228-G244 WeakPolarHBondContact OG1-CA 3.5Å; T228-G244 PolarHBondContact OG1-N 3Å; T228-G244 PolarHBondContact OG1-O 3.14Å; T228-A246 VanDerWaalsContact OG1-C 3.25Å; T228-A246 PolarHBondContact OG1-N 3.23Å; T228-L247 HydrophobicContact CG2-CB 4.41Å; T228-L247 HydrophobicContact CG2-CD1 3.92Å; T228-L247 WeakPolarHBondContact OG1-CA 3.49Å; T228-L247 PolarHBondContact OG1-N 2.76Å
229	V	98.3	Very high	93.1	Very high	18 Å²	18	47.7 Å²	47.7	11%	0.109	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.8	-179	-171	0	0	0	0	109.4	T143 V145 I241 R242	T143-V229 HydrophobicContact CG2-CG1 4.36Å; T143-V229 WeakPolarHBondContact O-CA 3.07Å; V145-V229 HydrophobicContact CG2-CG1 3.75Å; V229-I241 HydrophobicContact CB-CB 4.18Å; V229-I241 HydrophobicContact CG1-CB 3.94Å; V229-I241 HydrophobicContact CG1-CD1 4.22Å; V229-I241 HydrophobicContact CG1-CG2 4.25Å; V229-I241 PolarHBondContact O-N 3.33Å; V229-R242 HydrophobicContact CB-CB 3.98Å; V229-R242 HydrophobicContact CG2-CB 3.92Å; V229-R242 PolarHBondContact N-O 2.76Å; V229-R242 PolarHBondContact O-N 3.24Å
230	I	98.3	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.6	-178.4	-56.7	-59.6	0	0	0	110.1	V142 T143 V145 T228 L232 Y238 R239 V240 T250 L254	V142-I230 HydrophobicContact CG1-CG1 4.45Å; T143-I230 PolarHBondContact O-N 2.82Å; V145-I230 PolarHBondContact N-O 2.75Å; T228-I230 HydrophobicContact CG2-CD1 3.76Å; T228-I230 HydrophobicContact CG2-CG1 4.05Å; I230-L232 HydrophobicContact CG2-CD2 3.85Å; I230-L232 HydrophobicContact CG2-CG 3.96Å; I230-Y238 HydrophobicContact CG2-CD2 4.25Å; I230-R239 WeakPolarHBondContact CA-O 3.4Å; I230-V240 HydrophobicContact CD1-CB 4.34Å; I230-V240 HydrophobicContact CD1-CG1 4.44Å; I230-V240 HydrophobicContact CD1-CG2 3.87Å; I230-T250 HydrophobicContact CD1-CG2 4.25Å; I230-T250 HydrophobicContact CG1-CG2 3.69Å; I230-L254 HydrophobicContact CD1-CD1 4.45Å; I230-L254 HydrophobicContact CG1-CD1 4.22Å; I230-L254 HydrophobicContact CG2-CD1 3.86Å
231	D	98.4	Very high	94.1	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.064	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.1	166.4	-160.6	-23	0	0	0	111	S233 Y238 R239 I241	D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.12Å; D231-S233 PolarHBondContact OD1-OG 2.61Å; D231-Y238 CarbonylContact O-C 3.58Å; D231-Y238 WeakPolarHBondContact O-CA 3.06Å; D231-R239 HydrophobicContact CB-CB 4Å; D231-R239 PolarHBondContact N-O 3.06Å; D231-R239 PolarHBondContact O-N 3.17Å; D231-R239 IonicContact OD2-CZ 3.6Å; D231-R239 IonicContact OD2-NE 2.73Å; D231-R239 IonicContact OD2-NH2 2.76Å; D231-R239 PolarHBondContact OD2-NH2 2.71Å; D231-I241 HydrophobicContact CB-CD1 3.87Å; D231-I241 HydrophobicContact CB-CG1 4.01Å
232	L	98.1	Very high	94.9	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.269	C	S	.	.			trans	-125	21.9	175	-63.2	175.5	0	0	0	110.9	V129 L133 L144 V145 F146 I230 V234 L254 L260	V129-L232 HydrophobicContact CG1-CB 4.2Å; V129-L232 HydrophobicContact CG1-CD1 4.29Å; L133-L232 HydrophobicContact CD2-CD1 3.88Å; L144-L232 HydrophobicContact CB-CD1 4.39Å; L144-L232 HydrophobicContact CD1-CD1 4.44Å; L144-L232 HydrophobicContact CD2-CD1 3.91Å; L144-L232 HydrophobicContact CG-CD1 4.48Å; V145-L232 CarbonylContact O-C 3.49Å; V145-L232 PolarHBondContact O-N 3.19Å; F146-L232 HydrophobicContact CD1-CB 4.07Å; F146-L232 HydrophobicContact CE1-CB 3.52Å; F146-L232 HydrophobicContact CE1-CD1 4.17Å; F146-L232 HydrophobicContact CE1-CG 4.49Å; F146-L232 HydrophobicContact CZ-CB 4.15Å; F146-L232 HydrophobicContact CZ-CD1 4.01Å; I230-L232 HydrophobicContact CG2-CD2 3.85Å; I230-L232 HydrophobicContact CG2-CG 3.96Å; L232-V234 VanDerWaalsContact C-N 3.27Å; L232-V234 PolarHBondContact O-N 3.11Å; L232-L254 HydrophobicContact CD2-CD2 4.06Å; L232-L260 HydrophobicContact CD2-CD2 4.12Å
233	S	96.4	Very high	95.7	Very high	17 Å²	17	45.8 Å²	45.8	12%	0.119	25%	0.249	C	C	.	.			trans	-69.5	-24	-178.1	61.6	0	0	0	0	113.8	K128 V145 D231	K128-S233 PolarHBondContact NZ-O 2.96Å; V145-S233 PolarHBondContact O-N 3.04Å; D231-S233 WeakPolarHBondContact OD1-CB 3.46Å; D231-S233 PolarHBondContact OD1-N 3.12Å; D231-S233 PolarHBondContact OD1-OG 2.61Å
234	V	96.1	Very high	96.3	Very high	63 Å²	63	42.2 Å²	42.2	38%	0.382	23%	0.229	S	C	.	.	S	Bend	trans	-99.2	119.6	178.1	-177.6	0	0	0	0	109.6	L232 G236 K237	L232-V234 VanDerWaalsContact C-N 3.27Å; L232-V234 PolarHBondContact O-N 3.11Å; V234-G236 PolarHBondContact O-N 3.38Å; V234-K237 HydrophobicContact CB-CB 4.29Å; V234-K237 HydrophobicContact CG1-CB 4.18Å; V234-K237 HydrophobicContact CG1-CD 4Å; V234-K237 HydrophobicContact CG1-CG 4.19Å; V234-K237 PolarHBondContact O-N 3.18Å; V234-K237 VanDerWaalsContact O-O 3.1Å
235	P	95.8	Very high	96.5	Very high	79 Å²	79	41.3 Å²	41.3	51%	0.513	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	135.5	178.7	-27.6	35.7	0	0	0	113.2	K128 K237	K128-P235 HydrophobicContact CB-CG 4.21Å; K128-P235 HydrophobicContact CD-CG 3.69Å; P235-K237 PolarHBondContact O-N 3.01Å
236	G	96.8	Very high	96.7	Very high	48 Å²	48	37.7 Å²	37.7	50%	0.495	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	1.5	177.5	0	0	0	0	0	115.2	V234 S261	V234-G236 PolarHBondContact O-N 3.38Å; G236-S261 PolarHBondContact O-N 2.98Å; G236-S261 PolarHBondContact O-OG 2.84Å
237	K	97.4	Very high	96.9	Very high	84 Å²	84	39.7 Å²	39.7	37%	0.365	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.9	177.6	-58.5	-169.4	177.1	-174.2	0	112.1	V234 P235 S261 N263	V234-K237 HydrophobicContact CB-CB 4.29Å; V234-K237 HydrophobicContact CG1-CB 4.18Å; V234-K237 HydrophobicContact CG1-CD 4Å; V234-K237 HydrophobicContact CG1-CG 4.19Å; V234-K237 PolarHBondContact O-N 3.18Å; V234-K237 VanDerWaalsContact O-O 3.1Å; P235-K237 PolarHBondContact O-N 3.01Å; K237-S261 CarbonylContact C-O 3.54Å; K237-S261 WeakPolarHBondContact CA-O 3.27Å; K237-N263 HydrophobicContact CB-CB 4.18Å; K237-N263 HydrophobicContact CD-CB 4.02Å; K237-N263 PolarHBondContact NZ-OD1 2.91Å
238	Y	97.9	Very high	96.9	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	161	168.7	79	-92.1	0	0	0	111.2	I230 D231 V240 L251 L254 E255 L260 S261 E262 N263	I230-Y238 HydrophobicContact CG2-CD2 4.25Å; D231-Y238 CarbonylContact O-C 3.58Å; D231-Y238 WeakPolarHBondContact O-CA 3.06Å; Y238-V240 HydrophobicContact CE2-CG2 4.07Å; Y238-L251 HydrophobicContact CD2-CD2 4.36Å; Y238-L251 HydrophobicContact CE2-CD2 3.49Å; Y238-L251 VanDerWaalsContact CE2-CD2 3.49Å; Y238-L254 HydrophobicContact CD1-CB 4.27Å; Y238-L254 HydrophobicContact CD1-CD1 4.35Å; Y238-L254 HydrophobicContact CD2-CD1 4Å; Y238-L254 HydrophobicContact CG-CD1 3.91Å; Y238-E255 HydrophobicContact CE1-CG 3.83Å; Y238-E255 PolarHBondContact OH-OE1 2.78Å; Y238-L260 HydrophobicContact CD1-CB 3.91Å; Y238-S261 PolarHBondContact N-O 2.98Å; Y238-E262 HydrophobicContact CD2-CG 4.39Å; Y238-E262 HydrophobicContact CE1-CB 3.88Å; Y238-E262 HydrophobicContact CE2-CB 4.02Å; Y238-E262 HydrophobicContact CE2-CG 3.77Å; Y238-E262 CarbonylContact O-C 3.6Å; Y238-E262 WeakPolarHBondContact O-CA 3.19Å; Y238-N263 WeakPolarHBondContact O-CB 3.23Å; Y238-N263 PolarHBondContact O-N 2.97Å
239	R	97.6	Very high	96.9	Very high	69 Å²	69	47.4 Å²	47.4	26%	0.26	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	132.4	167.6	171.5	-177	62.9	164	-1.3	110.4	I230 D231 I241 N263	I230-R239 WeakPolarHBondContact CA-O 3.4Å; D231-R239 HydrophobicContact CB-CB 4Å; D231-R239 PolarHBondContact N-O 3.06Å; D231-R239 PolarHBondContact O-N 3.17Å; D231-R239 IonicContact OD2-CZ 3.6Å; D231-R239 IonicContact OD2-NE 2.73Å; D231-R239 IonicContact OD2-NH2 2.76Å; D231-R239 PolarHBondContact OD2-NH2 2.71Å; R239-I241 PolarHBondContact O-N 3.3Å; R239-N263 HydrophobicContact CB-CB 4.4Å
240	V	97.8	Very high	96.9	Very high	39 Å²	39	46.7 Å²	46.7	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	109.3	172.1	-173.6	0	0	0	0	109.1	I230 Y238 L247 L251	I230-V240 HydrophobicContact CD1-CB 4.34Å; I230-V240 HydrophobicContact CD1-CG1 4.44Å; I230-V240 HydrophobicContact CD1-CG2 3.87Å; Y238-V240 HydrophobicContact CE2-CG2 4.07Å; V240-L247 HydrophobicContact CG1-CD1 3.96Å; V240-L247 HydrophobicContact CG2-CD1 4.07Å; V240-L251 HydrophobicContact CG2-CD2 4.07Å
241	I	96.2	Very high	96.9	Very high	84 Å²	84	48.6 Å²	48.6	43%	0.431	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-39.5	173.3	-63.1	-179.9	0	0	0	109.8	V145 V229 D231 R239	V145-I241 HydrophobicContact CB-CD1 4.13Å; V145-I241 HydrophobicContact CG1-CD1 4.26Å; V145-I241 HydrophobicContact CG2-CD1 3.83Å; V229-I241 HydrophobicContact CB-CB 4.18Å; V229-I241 HydrophobicContact CG1-CB 3.94Å; V229-I241 HydrophobicContact CG1-CD1 4.22Å; V229-I241 HydrophobicContact CG1-CG2 4.25Å; V229-I241 PolarHBondContact O-N 3.33Å; D231-I241 HydrophobicContact CB-CD1 3.87Å; D231-I241 HydrophobicContact CB-CG1 4.01Å; R239-I241 PolarHBondContact O-N 3.3Å
242	R	95.1	Very high	96.9	Very high	112 Å²	112	52.4 Å²	52.4	42%	0.423	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	123.3	178.4	-172	-174.2	67.4	-173.4	-2.9	110.1	S227 V229	S227-R242 PolarHBondContact O-NE 2.64Å; S227-R242 PolarHBondContact O-NH2 3.36Å; S227-R242 PolarHBondContact OG-NH2 3.36Å; V229-R242 HydrophobicContact CB-CB 3.98Å; V229-R242 HydrophobicContact CG2-CB 3.92Å; V229-R242 PolarHBondContact N-O 2.76Å; V229-R242 PolarHBondContact O-N 3.24Å
243	P	95.8	Very high	97	Very high	79 Å²	79	53.5 Å²	53.5	51%	0.513	32%	0.316	S	S	.	.			trans	-65.6	140.6	168.8	30.1	-34.8	0	0	0	110.1	L247	P243-L247 HydrophobicContact CB-CD2 3.79Å
244	G	95.1	Very high	97.1	Very high	5 Å²	5	52.7 Å²	52.7	5%	0.052	31%	0.311	C	S	.	.			trans	-143	-171	177	0	0	0	0	0	111	Q225 G226 T228 A246 L247	Q225-G244 VanDerWaalsContact OE1-C 3.3Å; Q225-G244 PolarHBondContact OE1-O 3.16Å; G226-G244 VanDerWaalsContact O-CA 3.23Å; G226-G244 WeakPolarHBondContact O-CA 3.45Å; T228-G244 WeakPolarHBondContact OG1-CA 3.5Å; T228-G244 PolarHBondContact OG1-N 3Å; T228-G244 PolarHBondContact OG1-O 3.14Å; G244-A246 PolarHBondContact O-N 3.08Å; G244-L247 WeakPolarHBondContact O-CB 3.13Å; G244-L247 PolarHBondContact O-N 3.31Å; G244-L247 VanDerWaalsContact O-N 3.12Å
245	C	95.1	Very high	97.2	Very high	48 Å²	48	53.3 Å²	53.3	32%	0.324	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.8	-172.3	58.8	0	0	0	0	114.2	Q225 G226	Q225-C245 HydrophobicContact CB-CB 4.1Å; G226-C245 PolarHBondContact O-N 3.08Å
246	A	96.5	Very high	97.2	Very high	14 Å²	14	56.3 Å²	56.3	12%	0.116	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	16.8	-177.6	0	0	0	0	0	114	P141 V142 T228 G244 S248 T250	P141-A246 HydrophobicContact CB-CB 4.07Å; P141-A246 HydrophobicContact CG-CB 3.57Å; V142-A246 HydrophobicContact CG2-CB 4.23Å; T228-A246 VanDerWaalsContact OG1-C 3.25Å; T228-A246 PolarHBondContact OG1-N 3.23Å; G244-A246 PolarHBondContact O-N 3.08Å; A246-S248 PolarHBondContact O-N 3.15Å; A246-T250 VanDerWaalsContact O-CB 3.28Å; A246-T250 WeakPolarHBondContact O-CB 3.42Å; A246-T250 PolarHBondContact O-N 3.4Å; A246-T250 PolarHBondContact O-OG1 3.12Å
247	L	97.6	Very high	97.3	Very high	52 Å²	52	60 Å²	60	27%	0.272	32%	0.319	S	S	.	.	H	α-helix	trans	-54.3	-57.2	-172.3	179.3	65.9	0	0	0	112.1	T228 V240 P243 G244 A249 T250 L251	T228-L247 HydrophobicContact CG2-CB 4.41Å; T228-L247 HydrophobicContact CG2-CD1 3.92Å; T228-L247 WeakPolarHBondContact OG1-CA 3.49Å; T228-L247 PolarHBondContact OG1-N 2.76Å; V240-L247 HydrophobicContact CG1-CD1 3.96Å; V240-L247 HydrophobicContact CG2-CD1 4.07Å; P243-L247 HydrophobicContact CB-CD2 3.79Å; G244-L247 WeakPolarHBondContact O-CB 3.13Å; G244-L247 PolarHBondContact O-N 3.31Å; G244-L247 VanDerWaalsContact O-N 3.12Å; L247-A249 PolarHBondContact O-N 3.15Å; L247-T250 WeakPolarHBondContact O-CB 3.49Å; L247-T250 PolarHBondContact O-N 3.31Å; L247-T250 VanDerWaalsContact O-N 3.15Å; L247-L251 HydrophobicContact CD1-CD1 4.13Å; L247-L251 HydrophobicContact CD1-CD2 4.39Å; L247-L251 HydrophobicContact CD1-CG 4.12Å; L247-L251 HydrophobicContact CG-CD1 4.23Å; L247-L251 HydrophobicContact CG-CG 4.46Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.25Å
248	S	97.5	Very high	97.3	Very high	102 Å²	102	58.4 Å²	58.4	71%	0.713	31%	0.311	S	S	*	.	H	α-helix	trans	-59.7	-48.1	-175.1	175.8	0	0	0	0	112.4	A246 T250 L251 D252	A246-S248 PolarHBondContact O-N 3.15Å; S248-T250 VanDerWaalsContact C-N 3.29Å; S248-T250 PolarHBondContact O-N 2.71Å; S248-L251 PolarHBondContact O-N 2.86Å; S248-D252 PolarHBondContact O-N 2.93Å; S248-D252 VanDerWaalsContact O-N 3.09Å
249	A	97.8	Very high	97.3	Very high	67 Å²	67	61.2 Å²	61.2	55%	0.554	34%	0.34	S	S	*	.	H	α-helix	trans	-63.4	-35.4	177.6	0	0	0	0	0	112.5	L247 V253	L247-A249 PolarHBondContact O-N 3.15Å; A249-V253 WeakPolarHBondContact O-CG2 3.36Å; A249-V253 PolarHBondContact O-N 3.19Å
250	T	98.4	Very high	97.3	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-66.7	-45.2	176.9	-56.9	0	0	0	0	111.1	L137 V142 I230 A246 L247 S248 D252 V253 L254	L137-T250 HydrophobicContact CD1-CG2 4.42Å; L137-T250 HydrophobicContact CD2-CG2 4.16Å; V142-T250 HydrophobicContact CG1-CG2 4.12Å; V142-T250 HydrophobicContact CG2-CG2 4.47Å; V142-T250 WeakPolarHBondContact CG2-OG1 3.17Å; I230-T250 HydrophobicContact CD1-CG2 4.25Å; I230-T250 HydrophobicContact CG1-CG2 3.69Å; A246-T250 VanDerWaalsContact O-CB 3.28Å; A246-T250 WeakPolarHBondContact O-CB 3.42Å; A246-T250 PolarHBondContact O-N 3.4Å; A246-T250 PolarHBondContact O-OG1 3.12Å; L247-T250 WeakPolarHBondContact O-CB 3.49Å; L247-T250 PolarHBondContact O-N 3.31Å; L247-T250 VanDerWaalsContact O-N 3.15Å; S248-T250 VanDerWaalsContact C-N 3.29Å; S248-T250 PolarHBondContact O-N 2.71Å; T250-D252 VanDerWaalsContact C-N 3.33Å; T250-D252 PolarHBondContact O-N 2.87Å; T250-V253 PolarHBondContact O-N 2.97Å; T250-L254 HydrophobicContact CG2-CD1 3.81Å; T250-L254 HydrophobicContact CG2-CG 4.3Å; T250-L254 VanDerWaalsContact O-CG 3.24Å; T250-L254 WeakPolarHBondContact O-CG 3.44Å; T250-L254 PolarHBondContact O-N 2.71Å
251	L	98.4	Very high	97.3	Very high	41 Å²	41	60 Å²	60	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-40.6	179	-63.8	-174.8	0	0	0	111.6	Y238 V240 L247 S248 V253 L254 E255	Y238-L251 HydrophobicContact CD2-CD2 4.36Å; Y238-L251 HydrophobicContact CE2-CD2 3.49Å; Y238-L251 VanDerWaalsContact CE2-CD2 3.49Å; V240-L251 HydrophobicContact CG2-CD2 4.07Å; L247-L251 HydrophobicContact CD1-CD1 4.13Å; L247-L251 HydrophobicContact CD1-CD2 4.39Å; L247-L251 HydrophobicContact CD1-CG 4.12Å; L247-L251 HydrophobicContact CG-CD1 4.23Å; L247-L251 HydrophobicContact CG-CG 4.46Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.25Å; S248-L251 PolarHBondContact O-N 2.86Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.45Å; L251-L254 PolarHBondContact O-N 2.84Å; L251-E255 WeakPolarHBondContact O-CB 3.42Å; L251-E255 WeakPolarHBondContact O-CG 3.45Å; L251-E255 PolarHBondContact O-N 2.79Å
252	D	98.3	Very high	97.3	Very high	92 Å²	92	60.8 Å²	60.8	49%	0.492	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-46.8	176.6	-177.4	75.6	0	0	0	112.1	S248 T250 H256	S248-D252 PolarHBondContact O-N 2.93Å; S248-D252 VanDerWaalsContact O-N 3.09Å; T250-D252 VanDerWaalsContact C-N 3.33Å; T250-D252 PolarHBondContact O-N 2.87Å; D252-H256 VanDerWaalsContact O-CB 3.31Å; D252-H256 WeakPolarHBondContact O-CB 3.4Å; D252-H256 PolarHBondContact O-N 2.9Å; D252-H256 IonicContact OD1-CD2 3.23Å; D252-H256 PolarHBondContact OD1-CD2 2.76Å; D252-H256 VanDerWaalsContact OD1-CD2 3.23Å
253	V	98.6	Very high	97	Very high	25 Å²	25	57.3 Å²	57.3	15%	0.152	33%	0.334	C	S	.	.	I	π-helix	trans	-62.6	-48.3	175.6	172.9	0	0	0	0	111.3	D136 L137 A249 T250 L251 K257 Y258	D136-V253 HydrophobicContact CB-CG1 4.01Å; L137-V253 HydrophobicContact CD2-CB 4.01Å; L137-V253 HydrophobicContact CD2-CG1 3.89Å; L137-V253 HydrophobicContact CD2-CG2 4.28Å; L137-V253 HydrophobicContact CG-CG1 4.26Å; A249-V253 WeakPolarHBondContact O-CG2 3.36Å; A249-V253 PolarHBondContact O-N 3.19Å; T250-V253 PolarHBondContact O-N 2.97Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.45Å; V253-K257 WeakPolarHBondContact O-CB 3.41Å; V253-K257 PolarHBondContact O-N 3.22Å; V253-Y258 HydrophobicContact CG1-CD2 3.76Å; V253-Y258 HydrophobicContact CG1-CE2 3.79Å; V253-Y258 WeakPolarHBondContact O-CD2 3.28Å; V253-Y258 PolarHBondContact O-N 3.2Å; V253-Y258 VanDerWaalsContact O-N 3.15Å
254	L	98.4	Very high	95.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.344	C	S	.	.	I	π-helix	trans	-64.1	-46.4	-176.1	-66.5	172	0	0	0	111.9	L133 L137 I230 L232 Y238 T250 L251 Y258 G259 L260	L133-L254 HydrophobicContact CD1-CD2 3.98Å; L133-L254 HydrophobicContact CD2-CD2 4.42Å; L133-L254 HydrophobicContact CG-CD2 4.46Å; L137-L254 HydrophobicContact CD1-CD2 4.11Å; I230-L254 HydrophobicContact CD1-CD1 4.45Å; I230-L254 HydrophobicContact CG1-CD1 4.22Å; I230-L254 HydrophobicContact CG2-CD1 3.86Å; L232-L254 HydrophobicContact CD2-CD2 4.06Å; Y238-L254 HydrophobicContact CD1-CB 4.27Å; Y238-L254 HydrophobicContact CD1-CD1 4.35Å; Y238-L254 HydrophobicContact CD2-CD1 4Å; Y238-L254 HydrophobicContact CG-CD1 3.91Å; T250-L254 HydrophobicContact CG2-CD1 3.81Å; T250-L254 HydrophobicContact CG2-CG 4.3Å; T250-L254 VanDerWaalsContact O-CG 3.24Å; T250-L254 WeakPolarHBondContact O-CG 3.44Å; T250-L254 PolarHBondContact O-N 2.71Å; L251-L254 PolarHBondContact O-N 2.84Å; L254-Y258 CarbonylContact O-C 3.48Å; L254-G259 PolarHBondContact O-N 3.08Å; L254-G259 VanDerWaalsContact O-N 3.1Å; L254-L260 HydrophobicContact CB-CD1 4.31Å; L254-L260 HydrophobicContact CD2-CD1 3.91Å; L254-L260 WeakPolarHBondContact O-CD1 3.37Å; L254-L260 PolarHBondContact O-N 3.25Å
255	E	98	Very high	93.9	Very high	76 Å²	76	64.2 Å²	64.2	36%	0.355	37%	0.368	S	S	.	.	I	π-helix	trans	-84.1	-48.7	-172.6	-63.6	-175.9	164.2	0	0	112.2	Y238 L251 G259	Y238-E255 HydrophobicContact CE1-CG 3.83Å; Y238-E255 PolarHBondContact OH-OE1 2.78Å; L251-E255 WeakPolarHBondContact O-CB 3.42Å; L251-E255 WeakPolarHBondContact O-CG 3.45Å; L251-E255 PolarHBondContact O-N 2.79Å; E255-G259 VanDerWaalsContact O-CA 3.23Å; E255-G259 WeakPolarHBondContact O-CA 3.47Å; E255-G259 PolarHBondContact O-N 2.96Å
256	H	97.5	Very high	91.3	Very high	142 Å²	142	71 Å²	71	66%	0.657	40%	0.395	S	S	*	.	I	π-helix	trans	-89.5	-39.2	-170.3	-60.7	-57.9	0	0	0	113	D252	D252-H256 VanDerWaalsContact O-CB 3.31Å; D252-H256 WeakPolarHBondContact O-CB 3.4Å; D252-H256 PolarHBondContact O-N 2.9Å; D252-H256 IonicContact OD1-CD2 3.23Å; D252-H256 PolarHBondContact OD1-CD2 2.76Å; D252-H256 VanDerWaalsContact OD1-CD2 3.23Å
257	K	98.1	Very high	88.3	Confident	126 Å²	126	81.8 Å²	81.8	55%	0.548	44%	0.443	S	S	.	.	I	π-helix	trans	-83.6	-39	179.7	-171.3	174.9	-176.5	178.5	0	112.5	D136 V253	D136-K257 IonicContact OD1-NZ 2.76Å; D136-K257 PolarHBondContact OD1-NZ 2.93Å; D136-K257 WeakPolarHBondContact OD2-CD 3.29Å; D136-K257 WeakPolarHBondContact OD2-CE 3.24Å; D136-K257 IonicContact OD2-NZ 2.71Å; D136-K257 PolarHBondContact OD2-NZ 3.04Å; V253-K257 WeakPolarHBondContact O-CB 3.41Å; V253-K257 PolarHBondContact O-N 3.22Å
258	Y	98.1	Very high	87.9	Confident	50 Å²	50	83.3 Å²	83.3	20%	0.196	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-10.4	-173.9	-71.8	-76.4	0	0	0	115.2	K130 G132 L133 D136 V253 L254 L260	K130-Y258 HydrophobicContact CB-CE1 4.3Å; K130-Y258 HydrophobicContact CD-CD1 4.2Å; K130-Y258 HydrophobicContact CD-CE1 4.22Å; G132-Y258 PolarHBondContact O-OH 3.47Å; G132-Y258 VanDerWaalsContact O-OH 3.07Å; L133-Y258 VanDerWaalsContact CA-CZ 3.45Å; L133-Y258 HydrophobicContact CB-CD1 4.1Å; L133-Y258 HydrophobicContact CB-CD2 4.03Å; L133-Y258 HydrophobicContact CB-CE1 3.88Å; L133-Y258 HydrophobicContact CB-CE2 3.81Å; L133-Y258 HydrophobicContact CB-CG 4.2Å; L133-Y258 HydrophobicContact CD1-CD1 4.28Å; L133-Y258 HydrophobicContact CD1-CD2 3.96Å; L133-Y258 HydrophobicContact CD1-CG 3.83Å; L133-Y258 HydrophobicContact CG-CD2 3.96Å; L133-Y258 HydrophobicContact CG-CE2 4.11Å; L133-Y258 HydrophobicContact CG-CG 4.26Å; L133-Y258 PolarHBondContact N-OH 3.38Å; L133-Y258 VanDerWaalsContact N-OH 3.11Å; D136-Y258 HydrophobicContact CB-CE2 4.41Å; D136-Y258 WeakPolarHBondContact OD2-CE2 3.38Å; D136-Y258 VanDerWaalsContact OD2-CZ 3.23Å; D136-Y258 PolarHBondContact OD2-OH 3.33Å; V253-Y258 HydrophobicContact CG1-CD2 3.76Å; V253-Y258 HydrophobicContact CG1-CE2 3.79Å; V253-Y258 WeakPolarHBondContact O-CD2 3.28Å; V253-Y258 PolarHBondContact O-N 3.2Å; V253-Y258 VanDerWaalsContact O-N 3.15Å; L254-Y258 CarbonylContact O-C 3.48Å; Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 VanDerWaalsContact CB-CD1 3.49Å; Y258-L260 PolarHBondContact O-N 2.94Å
259	G	97.5	Very high	87.4	Confident	60 Å²	60	82.3 Å²	82.3	62%	0.619	44%	0.437	S	S	*	.			trans	66.9	28	174.8	0	0	0	0	0	114.2	L254 E255	L254-G259 PolarHBondContact O-N 3.08Å; L254-G259 VanDerWaalsContact O-N 3.1Å; E255-G259 VanDerWaalsContact O-CA 3.23Å; E255-G259 WeakPolarHBondContact O-CA 3.47Å; E255-G259 PolarHBondContact O-N 2.96Å
260	L	97.7	Very high	86.8	Confident	18 Å²	18	83.1 Å²	83.1	9%	0.094	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-75.1	146.5	173.2	-67.5	110.2	0	0	0	110.3	L133 L232 Y238 L254 Y258	L133-L260 HydrophobicContact CD1-CD1 3.54Å; L232-L260 HydrophobicContact CD2-CD2 4.12Å; Y238-L260 HydrophobicContact CD1-CB 3.91Å; L254-L260 HydrophobicContact CB-CD1 4.31Å; L254-L260 HydrophobicContact CD2-CD1 3.91Å; L254-L260 WeakPolarHBondContact O-CD1 3.37Å; L254-L260 PolarHBondContact O-N 3.25Å; Y258-L260 VanDerWaalsContact C-N 3.31Å; Y258-L260 VanDerWaalsContact CB-CD1 3.49Å; Y258-L260 PolarHBondContact O-N 2.94Å
261	S	97	Very high	86.1	Confident	65 Å²	65	87.9 Å²	87.9	46%	0.455	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.4	174	48.2	0	0	0	0	111.4	G236 K237 Y238 N263	G236-S261 PolarHBondContact O-N 2.98Å; G236-S261 PolarHBondContact O-OG 2.84Å; K237-S261 CarbonylContact C-O 3.54Å; K237-S261 WeakPolarHBondContact CA-O 3.27Å; Y238-S261 PolarHBondContact N-O 2.98Å; S261-N263 PolarHBondContact O-N 2.78Å
262	E	95.9	Very high	85.3	Confident	100 Å²	100	90.8 Å²	90.8	47%	0.467	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.9	174.1	-165.1	169.7	-156.3	0	0	110.3	Y238 S264	Y238-E262 HydrophobicContact CD2-CG 4.39Å; Y238-E262 HydrophobicContact CE1-CB 3.88Å; Y238-E262 HydrophobicContact CE2-CB 4.02Å; Y238-E262 HydrophobicContact CE2-CG 3.77Å; Y238-E262 CarbonylContact O-C 3.6Å; Y238-E262 WeakPolarHBondContact O-CA 3.19Å; E262-S264 PolarHBondContact O-N 2.94Å
263	N	89.2	Confident	84.5	Confident	40 Å²	40	90.7 Å²	90.7	21%	0.214	47%	0.469	C	S	.	.			trans	-85.9	82.5	170.1	-161.1	37.2	0	0	0	108.1	K237 Y238 R239 S261 K265	K237-N263 HydrophobicContact CB-CB 4.18Å; K237-N263 HydrophobicContact CD-CB 4.02Å; K237-N263 PolarHBondContact NZ-OD1 2.91Å; Y238-N263 WeakPolarHBondContact O-CB 3.23Å; Y238-N263 PolarHBondContact O-N 2.97Å; R239-N263 HydrophobicContact CB-CB 4.4Å; S261-N263 PolarHBondContact O-N 2.78Å; N263-K265 PolarHBondContact O-N 3.19Å
264	S	67.9	Low	83.5	Confident	104 Å²	104	95.4 Å²	95.4	73%	0.727	49%	0.492	S	S	*	.			trans	-60.2	101.7	164.5	27.6	0	0	0	0	108	E262 E266	E262-S264 PolarHBondContact O-N 2.94Å; S264-E266 PolarHBondContact O-N 3.4Å
265	K	57.5	Low	82.3	Confident	125 Å²	125	102.8 Å²	102.8	54%	0.543	53%	0.53	S	S	.	.			trans	-72.2	112.9	178.1	-93.9	-150.6	170.4	-143.5	0	110.7	N263 E267	N263-K265 PolarHBondContact O-N 3.19Å; K265-E267 PolarHBondContact NZ-O 2.91Å
266	E	40.5	Very low	81	Confident	190 Å²	190	105 Å²	105	89%	0.888	54%	0.544	S	S	*	.				-111.2	102.8	127.2	-78.8	-178.4	166.8	0	0	106.3	S264	S264-E266 PolarHBondContact O-N 3.4Å
267	E	35.1	Very low	79.5	Confident	240 Å²	240	101.6 Å²	101.6	100%	1.122	53%	0.534	S	S	*	.			trans	173.4	0	158.1	-97.3	176	-156.1	0	0	110.4	K265	K265-E267 PolarHBondContact NZ-O 2.91Å

Retrieved 267 of 267 residues in 822 ms (Link to these results)

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