A0A087XI35_POEFO Loading...

4a-hydroxytetrahydrobiopterin dehydratase

AlphaFold DB , UniProt , Accession A0A087XI35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 aa.

						>A0A087XI35_POEFO|A0A087XI35
MFALTFILRTSSFRSCSRLNCLRKPPLHRNYSKMSSDSHWLSPADRDQLVMELRATGWMEVEDRDAIFKELHFKTFNQAFGFMSRVALQAEKMNHHPEWFNVYNKVQITLTTHDCGGISKRDVKMAKFIDKIALSM
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	41	Very low	233 Å²	233	153.5 Å²	153.5	100%	1.148	80%	0.798	S	S	*	*				0	106.1	0	-159.6	165	165	0	0	107.1
2	F	36.9	Very low	41.1	Very low	205 Å²	205	149.3 Å²	149.3	90%	0.899	79%	0.791	S	S	*	*			trans	46.8	122.7	164.9	-66.8	-82.6	0	0	0	123.1
3	A	42.6	Very low	41.5	Very low	80 Å²	80	154 Å²	154	66%	0.661	80%	0.801	S	S	*	*			trans	-59.6	164.9	167	0	0	0	0	0	114
4	L	43.5	Very low	41.7	Very low	151 Å²	151	159.6 Å²	159.6	79%	0.791	81%	0.807	S	S	*	*				-163.2	120.4	119.2	-125.7	86.3	0	0	0	112.6	F6	L4-F6 HydrophobicContact CD2-CD2 4.03Å; L4-F6 HydrophobicContact CD2-CE2 3.76Å
5	T	43.2	Very low	41.8	Very low	117 Å²	117	157.1 Å²	157.1	72%	0.718	81%	0.81	S	S	*	*			trans	-66.3	148.4	158.8	1.8	0	0	0	0	110.5
6	F	39.3	Very low	41.4	Very low	172 Å²	172	155.1 Å²	155.1	75%	0.754	81%	0.812	S	S	*	*			trans	-138.3	107.8	154.8	-111.5	-88.4	0	0	0	110.6	L4 L8	L4-F6 HydrophobicContact CD2-CD2 4.03Å; L4-F6 HydrophobicContact CD2-CE2 3.76Å; F6-L8 HydrophobicContact CE1-CD1 4.41Å
7	I	46.7	Very low	41.6	Very low	145 Å²	145	151.9 Å²	151.9	74%	0.744	81%	0.805	S	S	*	*			trans	-113.9	127.3	160.7	-67.8	171.9	0	0	0	105.3
8	L	40.6	Very low	42	Very low	144 Å²	144	156.9 Å²	156.9	75%	0.754	81%	0.812	S	S	*	*			trans	-159.8	100.9	155.2	-90.2	170.9	0	0	0	107.1	F6	F6-L8 HydrophobicContact CE1-CD1 4.41Å
9	R	40.1	Very low	42.1	Very low	212 Å²	212	157.6 Å²	157.6	80%	0.8	82%	0.816	S	S	*	*				74.1	117.2	90	-101.5	-164.5	174.7	-153.1	-0.3	116.2
10	T	40	Very low	42.1	Very low	118 Å²	118	158.1 Å²	158.1	72%	0.724	82%	0.819	S	S	*	*			trans	50.4	138.8	134.5	61.6	0	0	0	0	118.8
11	S	38.6	Very low	42.1	Very low	112 Å²	112	156.1 Å²	156.1	78%	0.783	82%	0.818	S	S	*	*			cis	177.8	149.2	36.2	34.4	0	0	0	0	108
12	S	42.3	Very low	42.4	Very low	103 Å²	103	153 Å²	153	72%	0.72	81%	0.806	S	S	*	*			trans	177.1	108.7	132.7	178.2	0	0	0	0	110.3
13	F	45.6	Very low	42.9	Very low	210 Å²	210	154.8 Å²	154.8	92%	0.921	81%	0.806	S	S	*	*			trans	-64.9	126.6	161.3	-100.9	-104.4	0	0	0	109.5
14	R	44.7	Very low	43.1	Very low	233 Å²	233	160.3 Å²	160.3	88%	0.879	82%	0.815	S	S	*	*			trans	-133.1	116.2	152.9	-77	-168.5	176.9	-131.1	-0.2	109
15	S	43.1	Very low	43.3	Very low	122 Å²	122	158.2 Å²	158.2	85%	0.853	81%	0.811	S	S	*	*			trans	-60	129.9	167.4	-179.9	0	0	0	0	109.4
16	C	35.9	Very low	43.5	Very low	124 Å²	124	158.6 Å²	158.6	84%	0.838	82%	0.815	S	S	*	*			trans	-136.1	130.1	159.9	-154	0	0	0	0	109.3
17	S	43.9	Very low	44	Very low	101 Å²	101	158.3 Å²	158.3	71%	0.706	82%	0.82	S	S	*	*			trans	-63.9	143.5	-165.9	11	0	0	0	0	115.3
18	R	49.8	Very low	43.8	Very low	243 Å²	243	159.4 Å²	159.4	92%	0.917	82%	0.822	S	S	*	*			trans	19.4	104.6	144.8	-86.1	-179.3	-175.1	-153.1	2.2	116.6
19	L	43.7	Very low	43.9	Very low	169 Å²	169	162.2 Å²	162.2	89%	0.885	82%	0.823	S	S	*	*			trans	-134.2	121.2	140.3	-84.4	163.5	0	0	0	108.3	C21	L19-C21 PolarHBondContact O-N 3.11Å
20	N	42.6	Very low	44.2	Very low	167 Å²	167	158.7 Å²	158.7	89%	0.893	82%	0.82	S	S	*	*			trans	-64.7	93.3	171.8	-97.1	-10.9	0	0	0	109	L22	N20-L22 PolarHBondContact O-N 2.98Å
21	C	41.7	Very low	44.2	Very low	117 Å²	117	162.4 Å²	162.4	79%	0.791	82%	0.822	S	S	*	*			trans	-73.7	108.2	156.8	-84.4	0	0	0	0	107.5	L19 R23	L19-C21 PolarHBondContact O-N 3.11Å; C21-R23 PolarHBondContact O-N 3.1Å
22	L	46.1	Very low	44.8	Very low	169 Å²	169	162 Å²	162	89%	0.885	82%	0.819	S	S	*	*			trans	-47	108.2	167.9	-72.9	158.6	0	0	0	108.7	N20 K24	N20-L22 PolarHBondContact O-N 2.98Å; L22-K24 PolarHBondContact O-N 3.04Å
23	R	46.5	Very low	45.1	Very low	242 Å²	242	166.2 Å²	166.2	91%	0.913	82%	0.824	S	S	*	*			trans	-64.2	100.7	171.9	-70.7	-178.2	179.6	-170.5	-0.4	106.9	C21	C21-R23 PolarHBondContact O-N 3.1Å
24	K	47	Very low	45	Very low	195 Å²	195	163.8 Å²	163.8	85%	0.848	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-58.7	131.4	164.7	-67	-176.2	179.8	-179	0	106.7	L22	L22-K24 PolarHBondContact O-N 3.04Å
25	P	47.2	Very low	45.3	Very low	108 Å²	108	156.1 Å²	156.1	70%	0.701	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57.1	148.7	175	24.5	-31.6	0	0	0	108.7	L27	P25-L27 PolarHBondContact O-N 3.34Å
26	P	48.6	Very low	46.1	Very low	124 Å²	124	154.3 Å²	154.3	81%	0.805	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-56	122.3	177	24.7	-30.6	0	0	0	106.9	H28	P26-H28 PolarHBondContact O-N 3.12Å
27	L	49.2	Very low	47.3	Very low	166 Å²	166	150.1 Å²	150.1	87%	0.869	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-52.2	117.7	168.1	-74.7	169.4	0	0	0	105.4	P25 R29	P25-L27 PolarHBondContact O-N 3.34Å; L27-R29 PolarHBondContact O-N 3.42Å
28	H	42.3	Very low	48.3	Very low	168 Å²	168	146.8 Å²	146.8	78%	0.778	73%	0.733	S	S	*	*			trans	-60.9	93.4	173.1	-157.9	-72.6	0	0	0	105.3	P26 N30	P26-H28 PolarHBondContact O-N 3.12Å; H28-N30 VanDerWaalsContact C-N 3.29Å; H28-N30 PolarHBondContact O-N 3.36Å
29	R	43.6	Very low	49.7	Very low	204 Å²	204	140 Å²	140	77%	0.77	71%	0.712	S	S	*	*			trans	-66	102.1	176.1	-168.3	174	-172.7	173	1	103.6	L27 Y31	L27-R29 PolarHBondContact O-N 3.42Å; R29-Y31 PolarHBondContact O-N 2.79Å
30	N	45.3	Very low	51.6	Low	137 Å²	137	139 Å²	139	73%	0.733	70%	0.696	S	S	*	*			trans	-56.6	100	167.7	-77.5	-28.3	0	0	0	105.6	H28 S32	H28-N30 VanDerWaalsContact C-N 3.29Å; H28-N30 PolarHBondContact O-N 3.36Å; N30-S32 PolarHBondContact O-N 2.91Å
31	Y	41	Very low	53.8	Low	197 Å²	197	131.5 Å²	131.5	77%	0.773	66%	0.656	S	S	*	*			trans	-63.4	88.5	160.3	-95.1	-94.9	0	0	0	104.6	R29 K33	R29-Y31 PolarHBondContact O-N 2.79Å; Y31-K33 PolarHBondContact O-N 2.87Å
32	S	50.6	Low	56	Low	104 Å²	104	128.2 Å²	128.2	73%	0.727	64%	0.635	S	S	*	*			trans	-48	110.7	160.9	40.3	0	0	0	0	105.9	N30 M34	N30-S32 PolarHBondContact O-N 2.91Å; S32-M34 PolarHBondContact O-N 3.29Å
33	K	48.3	Very low	58	Low	190 Å²	190	125.1 Å²	125.1	83%	0.826	63%	0.625	S	S	*	*			trans	-26.4	101.7	173.4	-174.9	175.7	-177	179	0	109.5	Y31 S35	Y31-K33 PolarHBondContact O-N 2.87Å; K33-S35 PolarHBondContact O-N 2.85Å; K33-S35 VanDerWaalsContact O-N 3.14Å
34	M	43.4	Very low	59.9	Low	159 Å²	159	117.1 Å²	117.1	78%	0.783	61%	0.61	S	S	*	*			trans	-53.9	123.6	178.7	-155.4	159.4	53.4	0	0	106.4	S32 S36	S32-M34 PolarHBondContact O-N 3.29Å; M34-S36 PolarHBondContact O-N 3.45Å; M34-S36 VanDerWaalsContact O-N 3.09Å
35	S	52.4	Low	62	Low	72 Å²	72	110.4 Å²	110.4	50%	0.503	58%	0.583	S	S	.	*			trans	-51	119.6	-170.1	173.7	0	0	0	0	109.9	K33 D37 S38	K33-S35 PolarHBondContact O-N 2.85Å; K33-S35 VanDerWaalsContact O-N 3.14Å; S35-D37 PolarHBondContact O-N 3.22Å; S35-S38 PolarHBondContact O-N 3.32Å; S35-S38 PolarHBondContact O-OG 3.49Å
36	S	58.9	Low	64.1	Low	84 Å²	84	108.2 Å²	108.2	59%	0.587	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-56.8	-10.3	-179.6	55.4	0	0	0	0	114	M34 S38	M34-S36 PolarHBondContact O-N 3.45Å; M34-S36 VanDerWaalsContact O-N 3.09Å; S36-S38 VanDerWaalsContact C-N 3.33Å
37	D	61.6	Low	66.1	Low	37 Å²	37	108 Å²	108	20%	0.198	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-84.4	-9.3	-178.8	-65.9	-8.5	0	0	0	113.2	S35 S119 K120 R121 K124	S35-D37 PolarHBondContact O-N 3.22Å; D37-S119 PolarHBondContact O-OG 3.41Å; D37-K120 HydrophobicContact CB-CB 4.39Å; D37-R121 HydrophobicContact CB-CG 4.36Å; D37-K124 IonicContact OD2-NZ 3.7Å; D37-K124 PolarHBondContact OD2-NZ 3.4Å
38	S	64.6	Low	68.1	Low	31 Å²	31	105.6 Å²	105.6	22%	0.217	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-89.2	-7.3	178.6	57.8	0	0	0	0	114.4	S35 S36 C115	S35-S38 PolarHBondContact O-N 3.32Å; S35-S38 PolarHBondContact O-OG 3.49Å; S36-S38 VanDerWaalsContact C-N 3.33Å; S38-C115 VanDerWaalsContact O-CB 3.28Å; S38-C115 WeakPolarHBondContact O-CB 3.3Å; S38-C115 PolarHBondContact O-SG 2.8Å
39	H	80.1	Confident	70.6	Confident	99 Å²	99	99 Å²	99	46%	0.458	51%	0.508	S	S	.	.	S	Bend	trans	-84.3	147.5	177.1	-164.4	-59.9	0	0	0	110.3	S119	H39-S119 WeakPolarHBondContact O-CB 3.43Å
40	W	83.1	Confident	72.9	Confident	150 Å²	150	89.5 Å²	89.5	57%	0.568	47%	0.473	S	S	*	.	B	Isolated β-bridge	trans	-56.3	150.1	173.1	65.4	87	0	0	0	111.2	C115 I118	W40-C115 HydrophobicContact CE3-CB 4.29Å; W40-I118 WeakPolarHBondContact CA-O 3.49Å
41	L	87.8	Confident	75.1	Confident	9 Å²	9	89.1 Å²	89.1	5%	0.047	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-61.2	140.3	179.2	-67.7	177.8	0	0	0	111.5	D45 R46 L49 I118 K120 V123	L41-D45 HydrophobicContact CB-CB 4.42Å; L41-D45 HydrophobicContact CD2-CB 4.24Å; L41-R46 HydrophobicContact CB-CB 4.05Å; L41-R46 HydrophobicContact CD1-CB 4.46Å; L41-L49 HydrophobicContact CD1-CD1 4.4Å; L41-L49 HydrophobicContact CD2-CD1 4.03Å; L41-I118 HydrophobicContact CD1-CG2 3.73Å; L41-I118 HydrophobicContact CG-CG2 4.41Å; L41-I118 PolarHBondContact N-O 3.06Å; L41-K120 HydrophobicContact CD2-CG 3.65Å; L41-V123 HydrophobicContact CD1-CG2 4.06Å
42	S	87.7	Confident	77.7	Confident	48 Å²	48	83.3 Å²	83.3	34%	0.336	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-63.3	154.4	167.1	72.9	0	0	0	0	109.9	A44 D45 R46	S42-A44 VanDerWaalsContact C-N 3.27Å; S42-A44 PolarHBondContact O-N 2.98Å; S42-D45 PolarHBondContact O-N 2.79Å; S42-D45 VanDerWaalsContact O-N 3.14Å; S42-D45 WeakPolarHBondContact OG-CB 3.4Å; S42-D45 PolarHBondContact OG-N 3.45Å; S42-D45 PolarHBondContact OG-OD2 2.77Å; S42-R46 WeakPolarHBondContact O-CB 3.34Å; S42-R46 PolarHBondContact O-N 3.21Å
43	P	88.3	Confident	79.9	Confident	104 Å²	104	78.5 Å²	78.5	68%	0.675	41%	0.414	S	S	*	.	H	α-helix	trans	-53.6	-43	179.1	-28.5	35.7	0	0	0	113.2	R46 D47	P43-R46 PolarHBondContact O-N 3.31Å; P43-D47 PolarHBondContact O-N 2.99Å
44	A	88.1	Confident	82.1	Confident	73 Å²	73	76 Å²	76	60%	0.603	40%	0.399	S	S	*	.	H	α-helix	trans	-64.8	-44.8	177.4	0	0	0	0	0	112.8	S42 R46 Q48	S42-A44 VanDerWaalsContact C-N 3.27Å; S42-A44 PolarHBondContact O-N 2.98Å; A44-R46 VanDerWaalsContact C-N 3.29Å; A44-R46 PolarHBondContact O-N 3.45Å; A44-Q48 PolarHBondContact O-N 2.91Å
45	D	90.6	Very high	84.6	Confident	55 Å²	55	72.6 Å²	72.6	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-37.5	176	-69.5	-38.4	0	0	0	111.2	L41 S42 L49	L41-D45 HydrophobicContact CB-CB 4.42Å; L41-D45 HydrophobicContact CD2-CB 4.24Å; S42-D45 PolarHBondContact O-N 2.79Å; S42-D45 VanDerWaalsContact O-N 3.14Å; S42-D45 WeakPolarHBondContact OG-CB 3.4Å; S42-D45 PolarHBondContact OG-N 3.45Å; S42-D45 PolarHBondContact OG-OD2 2.77Å; D45-L49 HydrophobicContact CB-CD1 4.27Å; D45-L49 WeakPolarHBondContact O-CB 3.41Å; D45-L49 WeakPolarHBondContact O-CG 3.45Å; D45-L49 PolarHBondContact O-N 3.27Å
46	R	91.3	Very high	86.7	Confident	61 Å²	61	72.4 Å²	72.4	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-52.7	-179.7	-172.7	-175.7	-176.1	103.6	4.4	110.2	L41 S42 P43 A44 Q48 L49 V50 E60 D65	L41-R46 HydrophobicContact CB-CB 4.05Å; L41-R46 HydrophobicContact CD1-CB 4.46Å; S42-R46 WeakPolarHBondContact O-CB 3.34Å; S42-R46 PolarHBondContact O-N 3.21Å; P43-R46 PolarHBondContact O-N 3.31Å; A44-R46 VanDerWaalsContact C-N 3.29Å; A44-R46 PolarHBondContact O-N 3.45Å; R46-Q48 VanDerWaalsContact C-N 3.29Å; R46-Q48 PolarHBondContact O-N 2.9Å; R46-L49 PolarHBondContact O-N 2.84Å; R46-V50 HydrophobicContact CG-CG2 3.82Å; R46-V50 WeakPolarHBondContact O-CB 3.29Å; R46-V50 VanDerWaalsContact O-CG2 3.25Å; R46-V50 WeakPolarHBondContact O-CG2 3.43Å; R46-V50 PolarHBondContact O-N 2.76Å; R46-E60 IonicContact CZ-OE2 3.71Å; R46-E60 IonicContact NE-OE2 3.52Å; R46-E60 IonicContact NH2-OE2 3.22Å; R46-E60 PolarHBondContact NH2-OE2 2.78Å; R46-D65 IonicContact CZ-OD1 2.84Å; R46-D65 IonicContact NH1-OD1 2.67Å; R46-D65 PolarHBondContact NH1-OD1 2.94Å; R46-D65 IonicContact NH1-OD2 3.13Å; R46-D65 PolarHBondContact NH1-OD2 2.67Å; R46-D65 VanDerWaalsContact NH1-OD2 3.09Å; R46-D65 IonicContact NH2-OD1 2.67Å; R46-D65 PolarHBondContact NH2-OD1 2.95Å
47	D	89.5	Confident	88.5	Confident	119 Å²	119	70.4 Å²	70.4	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-56.6	-45.8	-178.8	-71.4	-16.1	0	0	0	111.2	P43 M51	P43-D47 PolarHBondContact O-N 2.99Å; D47-M51 WeakPolarHBondContact O-CB 3.32Å; D47-M51 PolarHBondContact O-N 3.5Å
48	Q	92.8	Very high	90.3	Very high	117 Å²	117	68.8 Å²	68.8	55%	0.547	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-55.7	178.8	-176.4	178.7	-2.4	0	0	112.4	A44 R46 M51 E52	A44-Q48 PolarHBondContact O-N 2.91Å; R46-Q48 VanDerWaalsContact C-N 3.29Å; R46-Q48 PolarHBondContact O-N 2.9Å; Q48-M51 PolarHBondContact O-N 3.03Å; Q48-E52 PolarHBondContact O-N 3.49Å; Q48-E52 VanDerWaalsContact O-N 3.1Å
49	L	93.7	Very high	91.9	Very high	29 Å²	29	72.5 Å²	72.5	15%	0.152	39%	0.392	C	S	.	.	H	α-helix	trans	-72.1	-37.3	-170.4	-64	173.6	0	0	0	112.1	L41 D45 R46 E52 L53 V123	L41-L49 HydrophobicContact CD1-CD1 4.4Å; L41-L49 HydrophobicContact CD2-CD1 4.03Å; D45-L49 HydrophobicContact CB-CD1 4.27Å; D45-L49 WeakPolarHBondContact O-CB 3.41Å; D45-L49 WeakPolarHBondContact O-CG 3.45Å; D45-L49 PolarHBondContact O-N 3.27Å; R46-L49 PolarHBondContact O-N 2.84Å; L49-E52 PolarHBondContact O-N 3.1Å; L49-L53 WeakPolarHBondContact O-CG 3.33Å; L49-L53 PolarHBondContact O-N 2.85Å; L49-L53 VanDerWaalsContact O-N 3.16Å; L49-V123 HydrophobicContact CB-CG1 4.24Å; L49-V123 HydrophobicContact CB-CG2 4.1Å; L49-V123 HydrophobicContact CD1-CG1 4.35Å; L49-V123 HydrophobicContact CD1-CG2 4.21Å; L49-V123 HydrophobicContact CD2-CG1 4.25Å
50	V	91.5	Very high	92.6	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.03	39%	0.386	C	S	.	.	H	α-helix	trans	-69.7	-36.5	176.3	177.9	0	0	0	0	110.2	R46 E52 L53 R54 E60	R46-V50 HydrophobicContact CG-CG2 3.82Å; R46-V50 WeakPolarHBondContact O-CB 3.29Å; R46-V50 VanDerWaalsContact O-CG2 3.25Å; R46-V50 WeakPolarHBondContact O-CG2 3.43Å; R46-V50 PolarHBondContact O-N 2.76Å; V50-E52 PolarHBondContact O-N 2.9Å; V50-L53 PolarHBondContact O-N 3.29Å; V50-R54 HydrophobicContact CG1-CG 4.49Å; V50-R54 WeakPolarHBondContact O-CG 3.37Å; V50-R54 PolarHBondContact O-N 2.9Å; V50-E60 HydrophobicContact CG1-CG 4.04Å
51	M	92.5	Very high	93.3	Very high	129 Å²	129	66.5 Å²	66.5	64%	0.635	37%	0.373	S	S	*	.	H	α-helix	trans	-61.7	-41.9	173.9	-171	-179	96.1	0	0	112.1	D47 Q48 L53 R54 A55	D47-M51 WeakPolarHBondContact O-CB 3.32Å; D47-M51 PolarHBondContact O-N 3.5Å; Q48-M51 PolarHBondContact O-N 3.03Å; M51-L53 VanDerWaalsContact C-N 3.33Å; M51-L53 PolarHBondContact O-N 3.23Å; M51-R54 PolarHBondContact O-N 3.37Å; M51-A55 PolarHBondContact O-N 2.85Å; M51-A55 VanDerWaalsContact O-N 3.16Å
52	E	94.5	Very high	93.6	Very high	74 Å²	74	74 Å²	74	35%	0.346	41%	0.408	S	S	.	.	H	α-helix	trans	-59.3	-43.1	174.1	-72.3	174.9	-164.3	0	0	112	Q48 L49 V50 A55 K127	Q48-E52 PolarHBondContact O-N 3.49Å; Q48-E52 VanDerWaalsContact O-N 3.1Å; L49-E52 PolarHBondContact O-N 3.1Å; V50-E52 PolarHBondContact O-N 2.9Å; E52-A55 WeakPolarHBondContact O-CB 3.43Å; E52-A55 PolarHBondContact O-N 3.15Å; E52-K127 IonicContact OE2-NZ 2.69Å; E52-K127 PolarHBondContact OE2-NZ 3.47Å
53	L	96.3	Very high	93.8	Very high	3 Å²	3	79.7 Å²	79.7	2%	0.016	44%	0.435	C	S	.	.	H	α-helix	trans	-69.8	-34.4	179.5	-66.6	177.8	0	0	0	112.3	L49 V50 M51 A55 T56 G57 W58 I67 V123 A126 K127	L49-L53 WeakPolarHBondContact O-CG 3.33Å; L49-L53 PolarHBondContact O-N 2.85Å; L49-L53 VanDerWaalsContact O-N 3.16Å; V50-L53 PolarHBondContact O-N 3.29Å; M51-L53 VanDerWaalsContact C-N 3.33Å; M51-L53 PolarHBondContact O-N 3.23Å; L53-A55 VanDerWaalsContact C-N 3.27Å; L53-A55 PolarHBondContact O-N 2.88Å; L53-T56 CarbonylContact O-C 3.52Å; L53-T56 PolarHBondContact O-N 3.21Å; L53-T56 VanDerWaalsContact O-N 3.09Å; L53-T56 PolarHBondContact O-OG1 2.84Å; L53-T56 VanDerWaalsContact O-OG1 3.08Å; L53-G57 PolarHBondContact O-N 3.42Å; L53-W58 HydrophobicContact CB-CB 3.9Å; L53-W58 HydrophobicContact CB-CG 4.13Å; L53-W58 WeakPolarHBondContact O-CB 3.18Å; L53-W58 PolarHBondContact O-N 3.12Å; L53-I67 HydrophobicContact CD1-CD1 3.63Å; L53-V123 HydrophobicContact CD1-CG1 4.41Å; L53-V123 HydrophobicContact CD1-CG2 4.19Å; L53-A126 HydrophobicContact CD1-CB 4.03Å; L53-A126 HydrophobicContact CD2-CB 3.67Å; L53-K127 HydrophobicContact CD2-CG 4.25Å
54	R	96.1	Very high	94.2	Very high	137 Å²	137	79.4 Å²	79.4	52%	0.517	42%	0.42	S	S	.	.	H	α-helix	trans	-60	-39.4	171.6	-73.4	176.1	-173.1	160.9	-4.2	111.9	V50 M51 T56 G57 W58 E60	V50-R54 HydrophobicContact CG1-CG 4.49Å; V50-R54 WeakPolarHBondContact O-CG 3.37Å; V50-R54 PolarHBondContact O-N 2.9Å; M51-R54 PolarHBondContact O-N 3.37Å; R54-T56 PolarHBondContact O-N 3.32Å; R54-G57 PolarHBondContact O-N 3.14Å; R54-W58 WeakPolarHBondContact CA-O 3.11Å; R54-E60 IonicContact CZ-OE1 2.61Å; R54-E60 IonicContact NE-OE1 2.75Å; R54-E60 IonicContact NH2-OE1 3.73Å; R54-E60 PolarHBondContact NH2-OE1 3.12Å
55	A	95.9	Very high	94.5	Very high	89 Å²	89	78.1 Å²	78.1	74%	0.736	40%	0.403	S	S	*	.	H	α-helix	trans	-62.8	-22.7	177.1	0	0	0	0	0	113	M51 E52 L53	M51-A55 PolarHBondContact O-N 2.85Å; M51-A55 VanDerWaalsContact O-N 3.16Å; E52-A55 WeakPolarHBondContact O-CB 3.43Å; E52-A55 PolarHBondContact O-N 3.15Å; L53-A55 VanDerWaalsContact C-N 3.27Å; L53-A55 PolarHBondContact O-N 2.88Å
56	T	96.3	Very high	94.8	Very high	67 Å²	67	75.6 Å²	75.6	41%	0.411	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.5	174.3	68.6	0	0	0	0	113.3	L53 R54 K69 D130	L53-T56 CarbonylContact O-C 3.52Å; L53-T56 PolarHBondContact O-N 3.21Å; L53-T56 VanDerWaalsContact O-N 3.09Å; L53-T56 PolarHBondContact O-OG1 2.84Å; L53-T56 VanDerWaalsContact O-OG1 3.08Å; R54-T56 PolarHBondContact O-N 3.32Å; T56-K69 VanDerWaalsContact O-CE 3.3Å; T56-K69 WeakPolarHBondContact O-CE 3.47Å; T56-K69 PolarHBondContact O-NZ 3.2Å; T56-D130 WeakPolarHBondContact CB-OD2 3.37Å; T56-D130 PolarHBondContact OG1-OD2 3.42Å
57	G	97.1	Very high	95.1	Very high	42 Å²	42	72.8 Å²	72.8	43%	0.433	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	13.7	173.7	0	0	0	0	0	115.6	L53 R54	L53-G57 PolarHBondContact O-N 3.42Å; R54-G57 PolarHBondContact O-N 3.14Å
58	W	98.3	Very high	95.6	Very high	4 Å²	4	69.4 Å²	69.4	2%	0.015	36%	0.359	C	S	.	.			trans	-77.9	145.6	165.5	-67.3	83.1	0	0	0	110.7	L53 R54 I67 F68 K69 I108 L110 A126 I129 D130	L53-W58 HydrophobicContact CB-CB 3.9Å; L53-W58 HydrophobicContact CB-CG 4.13Å; L53-W58 WeakPolarHBondContact O-CB 3.18Å; L53-W58 PolarHBondContact O-N 3.12Å; R54-W58 WeakPolarHBondContact CA-O 3.11Å; W58-I67 HydrophobicContact CD2-CD1 4.28Å; W58-I67 HydrophobicContact CE3-CB 4Å; W58-I67 HydrophobicContact CE3-CD1 3.85Å; W58-I67 HydrophobicContact CE3-CG1 3.82Å; W58-I67 HydrophobicContact CZ3-CD1 4.24Å; W58-I67 HydrophobicContact CZ3-CG1 4.11Å; W58-F68 CarbonylContact C-O 3.51Å; W58-F68 WeakPolarHBondContact CA-O 3.43Å; W58-K69 HydrophobicContact CD2-CB 3.64Å; W58-K69 HydrophobicContact CD2-CD 3.92Å; W58-K69 HydrophobicContact CD2-CG 4.43Å; W58-K69 HydrophobicContact CE3-CB 3.59Å; W58-K69 HydrophobicContact CG-CB 4.19Å; W58-K69 HydrophobicContact CG-CD 3.98Å; W58-K69 HydrophobicContact CH2-CB 4.14Å; W58-K69 HydrophobicContact CZ2-CB 4.18Å; W58-K69 HydrophobicContact CZ2-CD 4.16Å; W58-K69 HydrophobicContact CZ3-CB 3.85Å; W58-I108 HydrophobicContact CH2-CB 4.38Å; W58-I108 HydrophobicContact CH2-CG2 4.1Å; W58-I108 HydrophobicContact CZ3-CG2 4.47Å; W58-L110 HydrophobicContact CH2-CD1 3.48Å; W58-L110 VanDerWaalsContact CH2-CD1 3.48Å; W58-L110 HydrophobicContact CH2-CG 4.01Å; W58-L110 HydrophobicContact CZ2-CD1 4.26Å; W58-L110 HydrophobicContact CZ3-CD1 3.72Å; W58-L110 HydrophobicContact CZ3-CG 3.96Å; W58-A126 HydrophobicContact CD2-CB 4.19Å; W58-A126 HydrophobicContact CH2-CB 4.19Å; W58-A126 HydrophobicContact CZ2-CB 3.67Å; W58-I129 HydrophobicContact CH2-CD1 3.98Å; W58-I129 HydrophobicContact CH2-CG2 4.42Å; W58-I129 HydrophobicContact CZ2-CB 4.17Å; W58-I129 HydrophobicContact CZ2-CD1 4.22Å; W58-I129 HydrophobicContact CZ2-CG2 3.84Å; W58-D130 PolarHBondContact NE1-OD1 2.88Å; W58-D130 VanDerWaalsContact NE1-OD1 3.1Å; W58-D130 PolarHBondContact NE1-OD2 3.35Å
59	M	97.8	Very high	95.8	Very high	109 Å²	109	65 Å²	65	54%	0.537	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.7	178.6	-59.6	-177.7	-64.6	0	0	109.4	I67 F68	M59-I67 CarbonylContact O-C 3.56Å; M59-I67 VanDerWaalsContact O-CA 3.25Å; M59-I67 WeakPolarHBondContact O-CA 3.38Å; M59-F68 HydrophobicContact CE-CD1 3.76Å; M59-F68 HydrophobicContact CE-CE1 4.03Å; M59-F68 PolarHBondContact N-O 3.06Å; M59-F68 PolarHBondContact O-N 3.13Å
60	E	96.1	Very high	96.1	Very high	73 Å²	73	67 Å²	67	34%	0.341	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	145.1	167.6	-76.6	172.6	-80.2	0	0	109.9	R46 V50 R54 A66 I67	R46-E60 IonicContact CZ-OE2 3.71Å; R46-E60 IonicContact NE-OE2 3.52Å; R46-E60 IonicContact NH2-OE2 3.22Å; R46-E60 PolarHBondContact NH2-OE2 2.78Å; V50-E60 HydrophobicContact CG1-CG 4.04Å; R54-E60 IonicContact CZ-OE1 2.61Å; R54-E60 IonicContact NE-OE1 2.75Å; R54-E60 IonicContact NH2-OE1 3.73Å; R54-E60 PolarHBondContact NH2-OE1 3.12Å; E60-A66 WeakPolarHBondContact CA-O 3.47Å; E60-I67 HydrophobicContact CG-CG2 4.41Å
61	V	96.9	Very high	96.4	Very high	49 Å²	49	67.7 Å²	67.7	30%	0.297	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-81.4	134.8	175.7	-177.3	0	0	0	0	109.1	R64 A66 F68 T109	V61-R64 HydrophobicContact CB-CB 4.34Å; V61-R64 HydrophobicContact CG1-CB 4.04Å; V61-A66 HydrophobicContact CB-CB 4.21Å; V61-A66 HydrophobicContact CG2-CB 3.93Å; V61-A66 PolarHBondContact N-O 3.22Å; V61-F68 HydrophobicContact CG2-CB 3.71Å; V61-T109 HydrophobicContact CG2-CG2 4.24Å
62	E	93.8	Very high	96.7	Very high	168 Å²	168	66.8 Å²	66.8	79%	0.785	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	140.1	173.8	-165.8	170.2	-163.5	0	0	110.3	R64	E62-R64 PolarHBondContact O-N 3.33Å
63	D	92.8	Very high	96.9	Very high	167 Å²	167	64.2 Å²	64.2	89%	0.893	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	11.3	179.6	-58.1	-39.9	0	0	0	116.7
64	R	95.3	Very high	97	Very high	97 Å²	97	72 Å²	72	37%	0.366	37%	0.365	S	S	.	.	S	Bend	trans	-144.8	133.7	178.2	-172.5	-178.7	-179.3	-169	1.4	111.3	V61 E62 A66 E98	V61-R64 HydrophobicContact CB-CB 4.34Å; V61-R64 HydrophobicContact CG1-CB 4.04Å; E62-R64 PolarHBondContact O-N 3.33Å; R64-A66 HydrophobicContact CG-CB 4.05Å; R64-A66 PolarHBondContact O-N 3.18Å; R64-E98 IonicContact CZ-OE1 2.75Å; R64-E98 IonicContact CZ-OE2 3.88Å; R64-E98 IonicContact NH1-OE1 3.95Å; R64-E98 IonicContact NH1-OE2 3.94Å; R64-E98 PolarHBondContact NH1-OE2 2.82Å; R64-E98 VanDerWaalsContact NH2-CD 3.31Å; R64-E98 IonicContact NH2-OE1 3.46Å; R64-E98 PolarHBondContact NH2-OE1 2.71Å; R64-E98 IonicContact NH2-OE2 3.58Å; R64-E98 PolarHBondContact NH2-OE2 3.31Å
65	D	95.4	Very high	97.1	Very high	47 Å²	47	68 Å²	68	25%	0.251	36%	0.357	S	S	.	.	S	Bend	trans	-74.5	79.2	174.2	-170.4	21.2	0	0	0	111.6	R46 T111 G117 I118	R46-D65 IonicContact CZ-OD1 2.84Å; R46-D65 IonicContact NH1-OD1 2.67Å; R46-D65 PolarHBondContact NH1-OD1 2.94Å; R46-D65 IonicContact NH1-OD2 3.13Å; R46-D65 PolarHBondContact NH1-OD2 2.67Å; R46-D65 VanDerWaalsContact NH1-OD2 3.09Å; R46-D65 IonicContact NH2-OD1 2.67Å; R46-D65 PolarHBondContact NH2-OD1 2.95Å; D65-T111 WeakPolarHBondContact O-CB 3.29Å; D65-T111 PolarHBondContact O-OG1 3.22Å; D65-G117 WeakPolarHBondContact O-CA 3.39Å; D65-G117 WeakPolarHBondContact OD2-CA 3.43Å; D65-I118 VanDerWaalsContact OD1-CD1 3.24Å; D65-I118 WeakPolarHBondContact OD1-CD1 3.31Å; D65-I118 VanDerWaalsContact OD1-CG1 3.3Å; D65-I118 WeakPolarHBondContact OD1-CG1 3.42Å; D65-I118 PolarHBondContact OD2-N 3.44Å
66	A	97.3	Very high	97.2	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.008	34%	0.341	C	S	.	.			trans	-151.6	159.4	-176.2	0	0	0	0	0	110.6	E60 V61 R64 T109 L110 T111	E60-A66 WeakPolarHBondContact CA-O 3.47Å; V61-A66 HydrophobicContact CB-CB 4.21Å; V61-A66 HydrophobicContact CG2-CB 3.93Å; V61-A66 PolarHBondContact N-O 3.22Å; R64-A66 HydrophobicContact CG-CB 4.05Å; R64-A66 PolarHBondContact O-N 3.18Å; A66-T109 HydrophobicContact CB-CG2 3.84Å; A66-L110 WeakPolarHBondContact CA-O 3.47Å; A66-L110 WeakPolarHBondContact CB-O 3.3Å; A66-T111 HydrophobicContact CB-CG2 4.45Å
67	I	97.9	Very high	97.3	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	146.9	170.4	56.7	177.5	0	0	0	110.7	L53 W58 M59 E60 T109 L110 I118 A126	L53-I67 HydrophobicContact CD1-CD1 3.63Å; W58-I67 HydrophobicContact CD2-CD1 4.28Å; W58-I67 HydrophobicContact CE3-CB 4Å; W58-I67 HydrophobicContact CE3-CD1 3.85Å; W58-I67 HydrophobicContact CE3-CG1 3.82Å; W58-I67 HydrophobicContact CZ3-CD1 4.24Å; W58-I67 HydrophobicContact CZ3-CG1 4.11Å; M59-I67 CarbonylContact O-C 3.56Å; M59-I67 VanDerWaalsContact O-CA 3.25Å; M59-I67 WeakPolarHBondContact O-CA 3.38Å; E60-I67 HydrophobicContact CG-CG2 4.41Å; I67-T109 CarbonylContact O-C 3.45Å; I67-T109 VanDerWaalsContact O-CA 3.28Å; I67-T109 WeakPolarHBondContact O-CA 3.29Å; I67-L110 HydrophobicContact CD1-CB 4.24Å; I67-L110 HydrophobicContact CD1-CD1 4.13Å; I67-L110 HydrophobicContact CG1-CB 3.79Å; I67-L110 HydrophobicContact CG1-CD1 4.43Å; I67-L110 PolarHBondContact N-O 2.69Å; I67-L110 PolarHBondContact O-N 2.86Å; I67-I118 HydrophobicContact CG2-CD1 3.65Å; I67-I118 HydrophobicContact CG2-CG1 4.4Å; I67-A126 HydrophobicContact CD1-CB 3.93Å
68	F	98.6	Very high	97.4	Very high	48 Å²	48	71.7 Å²	71.7	21%	0.211	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.9	-176.1	172	-93.7	0	0	0	111.5	W58 M59 V61 E70 Q107 I108	W58-F68 CarbonylContact C-O 3.51Å; W58-F68 WeakPolarHBondContact CA-O 3.43Å; M59-F68 HydrophobicContact CE-CD1 3.76Å; M59-F68 HydrophobicContact CE-CE1 4.03Å; M59-F68 PolarHBondContact N-O 3.06Å; M59-F68 PolarHBondContact O-N 3.13Å; V61-F68 HydrophobicContact CG2-CB 3.71Å; F68-E70 HydrophobicContact CE1-CB 4.27Å; F68-E70 HydrophobicContact CZ-CB 4.22Å; F68-Q107 HydrophobicContact CE2-CB 3.87Å; F68-Q107 HydrophobicContact CE2-CG 4.26Å; F68-Q107 HydrophobicContact CZ-CB 4.15Å; F68-Q107 HydrophobicContact CZ-CG 4.04Å; F68-I108 CarbonylContact C-O 3.56Å; F68-I108 VanDerWaalsContact CA-O 3.24Å; F68-I108 WeakPolarHBondContact CA-O 3.28Å; F68-I108 WeakPolarHBondContact CD2-O 3.38Å
69	K	98.6	Very high	97.4	Very high	25 Å²	25	71.5 Å²	71.5	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	140.4	169	-173.7	167.7	-179.9	179.9	0	111.3	T56 W58 L71 I108 D130	T56-K69 VanDerWaalsContact O-CE 3.3Å; T56-K69 WeakPolarHBondContact O-CE 3.47Å; T56-K69 PolarHBondContact O-NZ 3.2Å; W58-K69 HydrophobicContact CD2-CB 3.64Å; W58-K69 HydrophobicContact CD2-CD 3.92Å; W58-K69 HydrophobicContact CD2-CG 4.43Å; W58-K69 HydrophobicContact CE3-CB 3.59Å; W58-K69 HydrophobicContact CG-CB 4.19Å; W58-K69 HydrophobicContact CG-CD 3.98Å; W58-K69 HydrophobicContact CH2-CB 4.14Å; W58-K69 HydrophobicContact CZ2-CB 4.18Å; W58-K69 HydrophobicContact CZ2-CD 4.16Å; W58-K69 HydrophobicContact CZ3-CB 3.85Å; K69-L71 HydrophobicContact CD-CD2 4.21Å; K69-L71 HydrophobicContact CG-CD2 4.27Å; K69-I108 PolarHBondContact N-O 3.3Å; K69-I108 PolarHBondContact O-N 3.45Å; K69-D130 IonicContact NZ-OD1 3.39Å; K69-D130 PolarHBondContact NZ-OD1 3.22Å; K69-D130 IonicContact NZ-OD2 3.65Å
70	E	98.7	Very high	97.4	Very high	72 Å²	72	71.4 Å²	71.4	34%	0.336	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.2	169.9	-176.7	171.7	93.4	0	0	110	F68 H72 Q107	F68-E70 HydrophobicContact CE1-CB 4.27Å; F68-E70 HydrophobicContact CZ-CB 4.22Å; E70-H72 IonicContact OE1-CE1 2.67Å; E70-H72 PolarHBondContact OE1-CE1 2.81Å; E70-H72 IonicContact OE1-NE2 3.61Å; E70-H72 PolarHBondContact OE1-NE2 2.79Å; E70-H72 VanDerWaalsContact OE1-NE2 3.13Å; E70-Q107 HydrophobicContact CB-CG 4.29Å; E70-Q107 HydrophobicContact CG-CG 3.97Å; E70-Q107 WeakPolarHBondContact OE2-CG 3.41Å; E70-Q107 PolarHBondContact OE2-NE2 3.1Å
71	L	98.5	Very high	97.5	Very high	18 Å²	18	69.3 Å²	69.3	9%	0.094	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	177.1	-63.7	176.2	0	0	0	110.5	K69 F73 F82 K105 V106 I108 I129 A133	K69-L71 HydrophobicContact CD-CD2 4.21Å; K69-L71 HydrophobicContact CG-CD2 4.27Å; L71-F73 HydrophobicContact CB-CE2 3.77Å; L71-F73 HydrophobicContact CB-CZ 4.08Å; L71-F73 HydrophobicContact CD1-CZ 4.18Å; L71-F82 HydrophobicContact CD1-CE1 3.94Å; L71-F82 HydrophobicContact CD1-CE2 3.88Å; L71-F82 HydrophobicContact CD1-CZ 3.43Å; L71-F82 VanDerWaalsContact CD1-CZ 3.43Å; L71-K105 WeakPolarHBondContact O-CA 3.37Å; L71-V106 PolarHBondContact N-O 2.92Å; L71-V106 PolarHBondContact O-N 3.36Å; L71-I108 HydrophobicContact CD1-CD1 3.97Å; L71-I129 HydrophobicContact CD1-CG2 4.05Å; L71-A133 HydrophobicContact CD1-CB 4.1Å; L71-A133 HydrophobicContact CD2-CB 4.37Å
72	H	98.3	Very high	97.6	Very high	111 Å²	111	67 Å²	67	51%	0.514	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122	178.5	-69.8	136.4	0	0	0	110.8	E70 K105	E70-H72 IonicContact OE1-CE1 2.67Å; E70-H72 PolarHBondContact OE1-CE1 2.81Å; E70-H72 IonicContact OE1-NE2 3.61Å; E70-H72 PolarHBondContact OE1-NE2 2.79Å; E70-H72 VanDerWaalsContact OE1-NE2 3.13Å; H72-K105 WeakPolarHBondContact NE2-CD 3.41Å; H72-K105 VanDerWaalsContact NE2-CE 3.33Å; H72-K105 WeakPolarHBondContact NE2-CE 3.36Å; H72-K105 PolarHBondContact NE2-NZ 2.73Å
73	F	98.4	Very high	97.9	Very high	19 Å²	19	59.7 Å²	59.7	8%	0.083	29%	0.291	C	S	.	.			trans	-106.5	173.5	177.6	-60.8	-84.3	0	0	0	111.1	L71 Q78 A79 F82 N104 V106 M136	L71-F73 HydrophobicContact CB-CE2 3.77Å; L71-F73 HydrophobicContact CB-CZ 4.08Å; L71-F73 HydrophobicContact CD1-CZ 4.18Å; F73-Q78 HydrophobicContact CB-CB 4.04Å; F73-Q78 HydrophobicContact CD1-CB 4.44Å; F73-A79 HydrophobicContact CB-CB 4.16Å; F73-A79 HydrophobicContact CD2-CB 3.62Å; F73-A79 HydrophobicContact CE2-CB 4.34Å; F73-A79 HydrophobicContact CG-CB 4.06Å; F73-F82 HydrophobicContact CE1-CB 3.77Å; F73-F82 HydrophobicContact CE1-CD1 4.46Å; F73-F82 HydrophobicContact CE1-CD2 4.1Å; F73-F82 AromaticContact CE1-CG 3.86Å; F73-F82 HydrophobicContact CE1-CG 3.86Å; F73-F82 HydrophobicContact CE2-CB 4.37Å; F73-F82 AromaticContact CE2-CD1 3.84Å; F73-F82 HydrophobicContact CE2-CD1 3.84Å; F73-F82 HydrophobicContact CE2-CE1 4.38Å; F73-F82 HydrophobicContact CE2-CG 4.07Å; F73-F82 HydrophobicContact CZ-CB 3.65Å; F73-F82 AromaticContact CZ-CD1 3.5Å; F73-F82 HydrophobicContact CZ-CD1 3.5Å; F73-F82 AromaticContact CZ-CD2 3.66Å; F73-F82 HydrophobicContact CZ-CD2 3.66Å; F73-F82 HydrophobicContact CZ-CE1 4.09Å; F73-F82 HydrophobicContact CZ-CE2 4.23Å; F73-F82 AromaticContact CZ-CG 3.29Å; F73-F82 HydrophobicContact CZ-CG 3.29Å; F73-F82 HydrophobicContact CZ-CZ 4.43Å; F73-N104 PolarHBondContact N-O 3.23Å; F73-N104 VanDerWaalsContact O-CB 3.29Å; F73-N104 WeakPolarHBondContact O-CB 3.44Å; F73-N104 PolarHBondContact O-ND2 3.39Å; F73-V106 HydrophobicContact CD2-CG2 4.14Å; F73-V106 HydrophobicContact CE2-CB 4.27Å; F73-V106 HydrophobicContact CE2-CG2 3.8Å; F73-M136 HydrophobicContact CD1-CB 4.38Å; F73-M136 HydrophobicContact CE1-CB 4.17Å
74	K	98.1	Very high	98.1	Very high	167 Å²	167	54.2 Å²	54.2	73%	0.726	27%	0.266	S	S	*	.	S	Bend	trans	-76.3	-35	177.4	-61.1	-179.6	178	174.2	0	112.6	Q78	K74-Q78 VanDerWaalsContact CB-OE1 3.27Å
75	T	98.3	Very high	98.3	Very high	54 Å²	54	55.2 Å²	55.2	33%	0.331	27%	0.27	S	S	.	.	S	Bend	trans	-144	164.4	-175.5	68.7	0	0	0	0	111.1	N77 Q78 A79	T75-N77 VanDerWaalsContact C-N 3.28Å; T75-N77 PolarHBondContact O-N 2.87Å; T75-N77 PolarHBondContact OG1-N 3.33Å; T75-Q78 PolarHBondContact O-N 2.83Å; T75-Q78 PolarHBondContact OG1-N 3.25Å; T75-A79 PolarHBondContact O-N 2.75Å; T75-A79 VanDerWaalsContact O-N 3.12Å
76	F	98.7	Very high	98.5	Very high	91 Å²	91	53 Å²	53	40%	0.399	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-38.5	171.4	174.8	-103.5	0	0	0	112.6	Q78 A79 F80 N101 Y103	F76-Q78 VanDerWaalsContact C-N 3.33Å; F76-Q78 PolarHBondContact O-N 3.19Å; F76-A79 PolarHBondContact O-N 2.86Å; F76-F80 HydrophobicContact CE1-CB 4.35Å; F76-F80 HydrophobicContact CE2-CB 4.5Å; F76-F80 HydrophobicContact CE2-CD2 4.47Å; F76-F80 HydrophobicContact CZ-CB 4.2Å; F76-F80 HydrophobicContact CZ-CD2 4.08Å; F76-F80 HydrophobicContact CZ-CG 4.26Å; F76-F80 WeakPolarHBondContact O-CB 3.35Å; F76-F80 PolarHBondContact O-N 3.45Å; F76-N101 WeakPolarHBondContact CE2-OD1 3.41Å; F76-Y103 HydrophobicContact CB-CD2 3.69Å; F76-Y103 HydrophobicContact CB-CE2 3.86Å; F76-Y103 HydrophobicContact CB-CG 4.5Å; F76-Y103 WeakPolarHBondContact CD2-O 3.15Å
77	N	98.5	Very high	98.5	Very high	131 Å²	131	55 Å²	55	70%	0.701	27%	0.274	S	S	*	.	H	α-helix	trans	-61.7	-41.6	179.6	-174.1	-79.5	0	0	0	111.7	T75 G81	T75-N77 VanDerWaalsContact C-N 3.28Å; T75-N77 PolarHBondContact O-N 2.87Å; T75-N77 PolarHBondContact OG1-N 3.33Å; N77-G81 PolarHBondContact O-N 2.91Å
78	Q	98.6	Very high	98.6	Very high	52 Å²	52	61.2 Å²	61.2	24%	0.243	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-46.6	173.8	-72.1	-172.5	-11.9	0	0	112	F73 K74 T75 F76 F80 G81 F82	F73-Q78 HydrophobicContact CB-CB 4.04Å; F73-Q78 HydrophobicContact CD1-CB 4.44Å; K74-Q78 VanDerWaalsContact CB-OE1 3.27Å; T75-Q78 PolarHBondContact O-N 2.83Å; T75-Q78 PolarHBondContact OG1-N 3.25Å; F76-Q78 VanDerWaalsContact C-N 3.33Å; F76-Q78 PolarHBondContact O-N 3.19Å; Q78-F80 PolarHBondContact O-N 3.28Å; Q78-G81 PolarHBondContact O-N 3.25Å; Q78-F82 PolarHBondContact O-N 3.36Å
79	A	98.6	Very high	98.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-47.5	178.2	0	0	0	0	0	111.6	F73 T75 F76 F82 M83 V106	F73-A79 HydrophobicContact CB-CB 4.16Å; F73-A79 HydrophobicContact CD2-CB 3.62Å; F73-A79 HydrophobicContact CE2-CB 4.34Å; F73-A79 HydrophobicContact CG-CB 4.06Å; T75-A79 PolarHBondContact O-N 2.75Å; T75-A79 VanDerWaalsContact O-N 3.12Å; F76-A79 PolarHBondContact O-N 2.86Å; A79-F82 WeakPolarHBondContact O-CB 3.45Å; A79-F82 PolarHBondContact O-N 3.15Å; A79-M83 VanDerWaalsContact O-CG 3.29Å; A79-M83 WeakPolarHBondContact O-CG 3.5Å; A79-M83 PolarHBondContact O-N 2.71Å; A79-V106 HydrophobicContact CB-CG2 3.95Å
80	F	98.7	Very high	98.5	Very high	107 Å²	107	59.9 Å²	59.9	47%	0.469	30%	0.302	S	S	.	.	H	α-helix	trans	-71.1	-32.6	-179.6	-160	-100.8	0	0	0	112.7	F76 Q78 M83 S84	F76-F80 HydrophobicContact CE1-CB 4.35Å; F76-F80 HydrophobicContact CE2-CB 4.5Å; F76-F80 HydrophobicContact CE2-CD2 4.47Å; F76-F80 HydrophobicContact CZ-CB 4.2Å; F76-F80 HydrophobicContact CZ-CD2 4.08Å; F76-F80 HydrophobicContact CZ-CG 4.26Å; F76-F80 WeakPolarHBondContact O-CB 3.35Å; F76-F80 PolarHBondContact O-N 3.45Å; Q78-F80 PolarHBondContact O-N 3.28Å; F80-M83 HydrophobicContact CD2-SD 4.33Å; F80-M83 PolarHBondContact O-N 3.38Å; F80-S84 WeakPolarHBondContact O-CB 3.47Å; F80-S84 PolarHBondContact O-N 3.16Å; F80-S84 PolarHBondContact O-OG 3.22Å
81	G	98.5	Very high	98.5	Very high	29 Å²	29	62.6 Å²	62.6	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-41.5	170.9	0	0	0	0	0	112.5	N77 Q78 R85	N77-G81 PolarHBondContact O-N 2.91Å; Q78-G81 PolarHBondContact O-N 3.25Å; G81-R85 PolarHBondContact O-N 3.45Å
82	F	98.8	Very high	98.5	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-51.6	169.8	159.3	-90.5	0	0	0	111	L71 F73 Q78 A79 S84 R85 V86 V106 I108 I129 I132 A133 M136	L71-F82 HydrophobicContact CD1-CE1 3.94Å; L71-F82 HydrophobicContact CD1-CE2 3.88Å; L71-F82 HydrophobicContact CD1-CZ 3.43Å; L71-F82 VanDerWaalsContact CD1-CZ 3.43Å; F73-F82 HydrophobicContact CE1-CB 3.77Å; F73-F82 HydrophobicContact CE1-CD1 4.46Å; F73-F82 HydrophobicContact CE1-CD2 4.1Å; F73-F82 AromaticContact CE1-CG 3.86Å; F73-F82 HydrophobicContact CE1-CG 3.86Å; F73-F82 HydrophobicContact CE2-CB 4.37Å; F73-F82 AromaticContact CE2-CD1 3.84Å; F73-F82 HydrophobicContact CE2-CD1 3.84Å; F73-F82 HydrophobicContact CE2-CE1 4.38Å; F73-F82 HydrophobicContact CE2-CG 4.07Å; F73-F82 HydrophobicContact CZ-CB 3.65Å; F73-F82 AromaticContact CZ-CD1 3.5Å; F73-F82 HydrophobicContact CZ-CD1 3.5Å; F73-F82 AromaticContact CZ-CD2 3.66Å; F73-F82 HydrophobicContact CZ-CD2 3.66Å; F73-F82 HydrophobicContact CZ-CE1 4.09Å; F73-F82 HydrophobicContact CZ-CE2 4.23Å; F73-F82 AromaticContact CZ-CG 3.29Å; F73-F82 HydrophobicContact CZ-CG 3.29Å; F73-F82 HydrophobicContact CZ-CZ 4.43Å; Q78-F82 PolarHBondContact O-N 3.36Å; A79-F82 WeakPolarHBondContact O-CB 3.45Å; A79-F82 PolarHBondContact O-N 3.15Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 3.37Å; F82-R85 PolarHBondContact O-N 3Å; F82-R85 VanDerWaalsContact O-N 3.12Å; F82-V86 HydrophobicContact CD2-CG2 4.39Å; F82-V86 HydrophobicContact CE1-CG2 4.07Å; F82-V86 HydrophobicContact CE2-CG2 3.86Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 PolarHBondContact O-N 3Å; F82-V86 VanDerWaalsContact O-N 3.12Å; F82-V106 HydrophobicContact CE1-CG1 4.3Å; F82-I108 HydrophobicContact CE1-CD1 3.94Å; F82-I108 HydrophobicContact CZ-CD1 3.88Å; F82-I129 HydrophobicContact CE2-CG2 4.17Å; F82-I129 HydrophobicContact CZ-CG2 3.82Å; F82-I132 HydrophobicContact CD2-CB 4.17Å; F82-I132 HydrophobicContact CD2-CG2 3.69Å; F82-I132 HydrophobicContact CE2-CB 4.24Å; F82-I132 HydrophobicContact CE2-CG2 4.24Å; F82-A133 HydrophobicContact CD2-CB 4.43Å; F82-A133 HydrophobicContact CE2-CB 4.05Å; F82-M136 HydrophobicContact CB-CG 4.48Å
83	M	98.8	Very high	98.3	Very high	15 Å²	15	66.8 Å²	66.8	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-42.5	-179.9	-71.9	173.2	76.4	0	0	111.6	A79 F80 R85 V86 A87 W99 N101 V106	A79-M83 VanDerWaalsContact O-CG 3.29Å; A79-M83 WeakPolarHBondContact O-CG 3.5Å; A79-M83 PolarHBondContact O-N 2.71Å; F80-M83 HydrophobicContact CD2-SD 4.33Å; F80-M83 PolarHBondContact O-N 3.38Å; M83-R85 VanDerWaalsContact C-N 3.31Å; M83-R85 PolarHBondContact O-N 3.02Å; M83-V86 PolarHBondContact O-N 2.76Å; M83-V86 VanDerWaalsContact O-N 3.14Å; M83-A87 PolarHBondContact O-N 2.97Å; M83-W99 HydrophobicContact CB-CH2 3.48Å; M83-W99 VanDerWaalsContact CB-CH2 3.48Å; M83-W99 HydrophobicContact CB-CZ2 4.21Å; M83-W99 HydrophobicContact CB-CZ3 3.68Å; M83-W99 HydrophobicContact CE-CD2 3.67Å; M83-W99 VanDerWaalsContact CE-CE2 3.4Å; M83-W99 HydrophobicContact CE-CE3 3.97Å; M83-W99 HydrophobicContact CE-CG 4.31Å; M83-W99 HydrophobicContact CE-CH2 3.88Å; M83-W99 HydrophobicContact CE-CZ2 3.52Å; M83-W99 HydrophobicContact CE-CZ3 4.08Å; M83-W99 HydrophobicContact CG-CE3 4.07Å; M83-W99 HydrophobicContact CG-CH2 3.86Å; M83-W99 HydrophobicContact CG-CZ2 4.48Å; M83-W99 HydrophobicContact CG-CZ3 3.62Å; M83-W99 WeakPolarHBondContact O-CH2 3.26Å; M83-N101 HydrophobicContact CE-CB 3.87Å; M83-N101 HydrophobicContact SD-CB 3.77Å; M83-V106 HydrophobicContact CG-CG1 4.15Å; M83-V106 HydrophobicContact CG-CG2 4.12Å; M83-V106 HydrophobicContact SD-CG1 4.31Å; M83-V106 HydrophobicContact SD-CG2 3.97Å
84	S	98.7	Very high	98.3	Very high	52 Å²	52	71.5 Å²	71.5	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-40.2	178.6	-60.4	0	0	0	0	112.4	F80 F82 A87 L88	F80-S84 WeakPolarHBondContact O-CB 3.47Å; F80-S84 PolarHBondContact O-N 3.16Å; F80-S84 PolarHBondContact O-OG 3.22Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 3.37Å; S84-A87 PolarHBondContact O-N 3.4Å; S84-L88 WeakPolarHBondContact O-CG 3.46Å; S84-L88 PolarHBondContact O-N 3.02Å
85	R	98.6	Very high	98.2	Very high	119 Å²	119	64.1 Å²	64.1	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-67.9	-38.9	175.9	-68.8	178.7	177.6	-167.3	2.3	112.1	G81 F82 M83 Q89 I132	G81-R85 PolarHBondContact O-N 3.45Å; F82-R85 PolarHBondContact O-N 3Å; F82-R85 VanDerWaalsContact O-N 3.12Å; M83-R85 VanDerWaalsContact C-N 3.31Å; M83-R85 PolarHBondContact O-N 3.02Å; R85-Q89 PolarHBondContact O-N 2.72Å; R85-I132 HydrophobicContact CB-CG2 4.01Å
86	V	98.7	Very high	98.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-42	175.2	177	0	0	0	0	111	F82 M83 L88 Q89 A90 P97 W99 M125 F128 I129	F82-V86 HydrophobicContact CD2-CG2 4.39Å; F82-V86 HydrophobicContact CE1-CG2 4.07Å; F82-V86 HydrophobicContact CE2-CG2 3.86Å; F82-V86 HydrophobicContact CZ-CG2 3.66Å; F82-V86 PolarHBondContact O-N 3Å; F82-V86 VanDerWaalsContact O-N 3.12Å; M83-V86 PolarHBondContact O-N 2.76Å; M83-V86 VanDerWaalsContact O-N 3.14Å; V86-L88 PolarHBondContact O-N 2.73Å; V86-Q89 PolarHBondContact O-N 2.97Å; V86-Q89 VanDerWaalsContact O-N 3.15Å; V86-A90 WeakPolarHBondContact O-CB 3.24Å; V86-A90 PolarHBondContact O-N 3.01Å; V86-P97 HydrophobicContact CG1-CG 4.31Å; V86-W99 HydrophobicContact CB-CZ3 4.12Å; V86-W99 HydrophobicContact CG1-CZ3 4.08Å; V86-M125 HydrophobicContact CG1-SD 4.23Å; V86-F128 HydrophobicContact CG2-CE1 4.45Å; V86-I129 HydrophobicContact CG1-CD1 4.28Å; V86-I129 HydrophobicContact CG1-CG1 3.97Å; V86-I129 HydrophobicContact CG2-CG1 3.9Å
87	A	98.8	Very high	98.2	Very high	42 Å²	42	62.6 Å²	62.6	35%	0.347	32%	0.318	S	S	.	.	H	α-helix	trans	-60	-42.9	177.5	0	0	0	0	0	112.5	M83 S84 Q89 A90 E91	M83-A87 PolarHBondContact O-N 2.97Å; S84-A87 PolarHBondContact O-N 3.4Å; A87-Q89 VanDerWaalsContact C-N 3.29Å; A87-Q89 PolarHBondContact O-N 2.81Å; A87-A90 WeakPolarHBondContact O-CB 3.39Å; A87-A90 PolarHBondContact O-N 3.46Å; A87-E91 PolarHBondContact O-N 3.48Å
88	L	98.6	Very high	98.2	Very high	133 Å²	133	59.5 Å²	59.5	70%	0.696	30%	0.299	S	S	*	.	H	α-helix	trans	-61.2	-38.6	175.9	-68.2	173.9	0	0	0	112.5	S84 V86 K92	S84-L88 WeakPolarHBondContact O-CG 3.46Å; S84-L88 PolarHBondContact O-N 3.02Å; V86-L88 PolarHBondContact O-N 2.73Å; L88-K92 PolarHBondContact O-N 2.67Å
89	Q	98.4	Very high	98.2	Very high	44 Å²	44	61.5 Å²	61.5	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-72.8	-36.7	176.6	-176.4	63.9	23.8	0	0	112	R85 V86 A87 E91 K92 M93 F128	R85-Q89 PolarHBondContact O-N 2.72Å; V86-Q89 PolarHBondContact O-N 2.97Å; V86-Q89 VanDerWaalsContact O-N 3.15Å; A87-Q89 VanDerWaalsContact C-N 3.29Å; A87-Q89 PolarHBondContact O-N 2.81Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; Q89-E91 PolarHBondContact O-N 3.33Å; Q89-K92 PolarHBondContact O-N 2.89Å; Q89-M93 HydrophobicContact CG-CG 4.32Å; Q89-M93 HydrophobicContact CG-SD 3.74Å; Q89-M93 VanDerWaalsContact NE2-CG 3.34Å; Q89-M93 PolarHBondContact NE2-SD 2.69Å; Q89-M93 WeakPolarHBondContact O-CB 3.29Å; Q89-M93 WeakPolarHBondContact O-CG 3.46Å; Q89-M93 PolarHBondContact O-N 2.82Å; Q89-F128 HydrophobicContact CB-CD1 3.78Å; Q89-F128 HydrophobicContact CB-CD2 4.44Å; Q89-F128 HydrophobicContact CB-CE1 3.33Å; Q89-F128 HydrophobicContact CB-CE2 4.05Å; Q89-F128 HydrophobicContact CB-CG 4.32Å; Q89-F128 HydrophobicContact CB-CZ 3.48Å; Q89-F128 VanDerWaalsContact CB-CZ 3.48Å; Q89-F128 HydrophobicContact CG-CB 4.49Å; Q89-F128 HydrophobicContact CG-CD1 3.64Å; Q89-F128 HydrophobicContact CG-CD2 3.83Å; Q89-F128 HydrophobicContact CG-CE1 3.69Å; Q89-F128 HydrophobicContact CG-CE2 3.86Å; Q89-F128 HydrophobicContact CG-CG 3.71Å; Q89-F128 HydrophobicContact CG-CZ 3.8Å
90	A	98.3	Very high	98.2	Very high	2 Å²	2	67.3 Å²	67.3	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-57.9	-46.5	174.8	0	0	0	0	0	111.6	V86 A87 K92 M93 N94 H95 M125	V86-A90 WeakPolarHBondContact O-CB 3.24Å; V86-A90 PolarHBondContact O-N 3.01Å; A87-A90 WeakPolarHBondContact O-CB 3.39Å; A87-A90 PolarHBondContact O-N 3.46Å; A90-K92 PolarHBondContact O-N 3.28Å; A90-M93 CarbonylContact O-C 3.58Å; A90-M93 PolarHBondContact O-N 3.23Å; A90-N94 WeakPolarHBondContact O-CA 3.49Å; A90-N94 PolarHBondContact O-N 2.92Å; A90-H95 VanDerWaalsContact CA-O 3.3Å; A90-H95 WeakPolarHBondContact CA-O 3.33Å; A90-H95 VanDerWaalsContact CB-O 3.31Å; A90-H95 WeakPolarHBondContact CB-O 3.28Å; A90-H95 PolarHBondContact O-N 3.44Å; A90-H95 VanDerWaalsContact O-N 3.1Å; A90-M125 HydrophobicContact CB-CE 3.86Å
91	E	98.3	Very high	98.2	Very high	128 Å²	128	64.1 Å²	64.1	60%	0.598	32%	0.318	S	S	*	.	H	α-helix	trans	-60.1	-46.1	174.3	-71.9	-56.5	127.4	0	0	112.1	A87 Q89 M93 N94 H96	A87-E91 PolarHBondContact O-N 3.48Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; Q89-E91 PolarHBondContact O-N 3.33Å; E91-M93 VanDerWaalsContact C-N 3.26Å; E91-M93 PolarHBondContact O-N 3.18Å; E91-N94 PolarHBondContact O-N 2.63Å; E91-N94 VanDerWaalsContact O-N 3.16Å; E91-H96 IonicContact OE1-CD2 2.79Å; E91-H96 IonicContact OE1-CE1 3.06Å; E91-H96 IonicContact OE1-NE2 3.13Å; E91-H96 PolarHBondContact OE1-NE2 3.12Å
92	K	97.5	Very high	98.2	Very high	172 Å²	172	66.5 Å²	66.5	75%	0.748	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-35	177.9	-176.3	176.9	178.8	179.1	0	112.8	L88 Q89 A90	L88-K92 PolarHBondContact O-N 2.67Å; Q89-K92 PolarHBondContact O-N 2.89Å; A90-K92 PolarHBondContact O-N 3.28Å
93	M	95.7	Very high	98.2	Very high	46 Å²	46	73.1 Å²	73.1	23%	0.227	35%	0.353	C	S	.	.	H	α-helix	trans	-85.9	-13.1	179.7	-71.1	177.1	56.1	0	0	113.2	Q89 A90 E91 H95 K124 M125	Q89-M93 HydrophobicContact CG-CG 4.32Å; Q89-M93 HydrophobicContact CG-SD 3.74Å; Q89-M93 VanDerWaalsContact NE2-CG 3.34Å; Q89-M93 PolarHBondContact NE2-SD 2.69Å; Q89-M93 WeakPolarHBondContact O-CB 3.29Å; Q89-M93 WeakPolarHBondContact O-CG 3.46Å; Q89-M93 PolarHBondContact O-N 2.82Å; A90-M93 CarbonylContact O-C 3.58Å; A90-M93 PolarHBondContact O-N 3.23Å; E91-M93 VanDerWaalsContact C-N 3.26Å; E91-M93 PolarHBondContact O-N 3.18Å; M93-H95 HydrophobicContact CB-CB 4.09Å; M93-H95 PolarHBondContact O-N 2.83Å; M93-K124 HydrophobicContact CE-CB 3.82Å; M93-M125 HydrophobicContact CE-CB 4.11Å; M93-M125 HydrophobicContact CE-CE 4.26Å; M93-M125 HydrophobicContact SD-CE 3.88Å
94	N	96.4	Very high	98.2	Very high	117 Å²	117	74.4 Å²	74.4	63%	0.626	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	48.9	-163.8	-168.9	44	0	0	0	111.4	A90 E91	A90-N94 WeakPolarHBondContact O-CA 3.49Å; A90-N94 PolarHBondContact O-N 2.92Å; E91-N94 PolarHBondContact O-N 2.63Å; E91-N94 VanDerWaalsContact O-N 3.16Å
95	H	97.3	Very high	98.2	Very high	13 Å²	13	76.3 Å²	76.3	6%	0.06	36%	0.362	C	S	.	.			trans	-148.3	113	-178.8	-169.4	66	0	0	0	109.2	A90 M93 T112 R121 D122 M125	A90-H95 VanDerWaalsContact CA-O 3.3Å; A90-H95 WeakPolarHBondContact CA-O 3.33Å; A90-H95 VanDerWaalsContact CB-O 3.31Å; A90-H95 WeakPolarHBondContact CB-O 3.28Å; A90-H95 PolarHBondContact O-N 3.44Å; A90-H95 VanDerWaalsContact O-N 3.1Å; M93-H95 HydrophobicContact CB-CB 4.09Å; M93-H95 PolarHBondContact O-N 2.83Å; H95-T112 PolarHBondContact CE1-OG1 2.65Å; H95-R121 HydrophobicContact CB-CB 4.39Å; H95-D122 IonicContact CD2-OD1 3.18Å; H95-D122 IonicContact CE1-OD1 3.44Å; H95-D122 PolarHBondContact CE1-OD1 3.29Å; H95-D122 VanDerWaalsContact CE1-OD1 3.25Å; H95-D122 IonicContact NE2-OD1 2.73Å; H95-D122 PolarHBondContact NE2-OD1 3.07Å; H95-M125 WeakPolarHBondContact O-CE 3.4Å
96	H	98.3	Very high	98.2	Very high	91 Å²	91	70.6 Å²	70.6	42%	0.421	34%	0.34	S	S	.	.			trans	-107.6	138.1	-168	-57.5	81.9	0	0	0	111.4	E91	E91-H96 IonicContact OE1-CD2 2.79Å; E91-H96 IonicContact OE1-CE1 3.06Å; E91-H96 IonicContact OE1-NE2 3.13Å; E91-H96 PolarHBondContact OE1-NE2 3.12Å
97	P	98.3	Very high	98.2	Very high	21 Å²	21	73.8 Å²	73.8	14%	0.136	36%	0.355	C	S	.	.			trans	-74.1	152.4	172.2	31.6	-34.3	0	0	0	111.4	V86 W99 I108 L110	V86-P97 HydrophobicContact CG1-CG 4.31Å; P97-W99 HydrophobicContact CG-CD2 4.34Å; P97-W99 HydrophobicContact CG-CE3 4.16Å; P97-W99 HydrophobicContact CG-CZ3 4.41Å; P97-I108 HydrophobicContact CB-CG2 3.96Å; P97-L110 HydrophobicContact CB-CD2 3.67Å
98	E	98.4	Very high	98.2	Very high	66 Å²	66	71.8 Å²	71.8	31%	0.308	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.8	156.1	-65.2	175.5	-174.6	0	0	107.5	R64 T109 H113	R64-E98 IonicContact CZ-OE1 2.75Å; R64-E98 IonicContact CZ-OE2 3.88Å; R64-E98 IonicContact NH1-OE1 3.95Å; R64-E98 IonicContact NH1-OE2 3.94Å; R64-E98 PolarHBondContact NH1-OE2 2.82Å; R64-E98 VanDerWaalsContact NH2-CD 3.31Å; R64-E98 IonicContact NH2-OE1 3.46Å; R64-E98 PolarHBondContact NH2-OE1 2.71Å; R64-E98 IonicContact NH2-OE2 3.58Å; R64-E98 PolarHBondContact NH2-OE2 3.31Å; E98-T109 PolarHBondContact N-O 3.07Å; E98-T109 PolarHBondContact O-N 3.04Å; E98-T109 VanDerWaalsContact O-O 3.13Å; E98-H113 IonicContact OE1-CE1 3.25Å; E98-H113 PolarHBondContact OE1-CE1 3.43Å; E98-H113 IonicContact OE1-NE2 3.19Å; E98-H113 PolarHBondContact OE1-NE2 3.22Å
99	W	98.5	Very high	98.2	Very high	95 Å²	95	66.6 Å²	66.6	36%	0.36	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.9	179.6	62.4	8	0	0	0	114	M83 V86 P97 V106 Q107 I108	M83-W99 HydrophobicContact CB-CH2 3.48Å; M83-W99 VanDerWaalsContact CB-CH2 3.48Å; M83-W99 HydrophobicContact CB-CZ2 4.21Å; M83-W99 HydrophobicContact CB-CZ3 3.68Å; M83-W99 HydrophobicContact CE-CD2 3.67Å; M83-W99 VanDerWaalsContact CE-CE2 3.4Å; M83-W99 HydrophobicContact CE-CE3 3.97Å; M83-W99 HydrophobicContact CE-CG 4.31Å; M83-W99 HydrophobicContact CE-CH2 3.88Å; M83-W99 HydrophobicContact CE-CZ2 3.52Å; M83-W99 HydrophobicContact CE-CZ3 4.08Å; M83-W99 HydrophobicContact CG-CE3 4.07Å; M83-W99 HydrophobicContact CG-CH2 3.86Å; M83-W99 HydrophobicContact CG-CZ2 4.48Å; M83-W99 HydrophobicContact CG-CZ3 3.62Å; M83-W99 WeakPolarHBondContact O-CH2 3.26Å; V86-W99 HydrophobicContact CB-CZ3 4.12Å; V86-W99 HydrophobicContact CG1-CZ3 4.08Å; P97-W99 HydrophobicContact CG-CD2 4.34Å; P97-W99 HydrophobicContact CG-CE3 4.16Å; P97-W99 HydrophobicContact CG-CZ3 4.41Å; W99-V106 HydrophobicContact CE3-CG1 4.3Å; W99-Q107 CarbonylContact C-O 3.51Å; W99-Q107 WeakPolarHBondContact CA-O 3.43Å; W99-Q107 WeakPolarHBondContact CB-O 3.47Å; W99-I108 HydrophobicContact CB-CG1 4.42Å
100	F	98.8	Very high	98.2	Very high	121 Å²	121	64.5 Å²	64.5	53%	0.531	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.2	173.4	177.7	-107.7	0	0	0	108.8	V102 Q107	F100-V102 HydrophobicContact CD1-CG2 4.26Å; F100-V102 HydrophobicContact CE1-CB 4.45Å; F100-V102 HydrophobicContact CE1-CG2 3.33Å; F100-V102 HydrophobicContact CE2-CG2 4.19Å; F100-V102 HydrophobicContact CZ-CG2 3.28Å; F100-Q107 HydrophobicContact CB-CB 4.32Å; F100-Q107 PolarHBondContact N-O 3.22Å; F100-Q107 PolarHBondContact O-N 3.16Å
101	N	98.8	Very high	98.2	Very high	40 Å²	40	64.9 Å²	64.9	21%	0.214	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.9	-180	168.9	-121.3	0	0	0	110.8	F76 M83 Y103 K105	F76-N101 WeakPolarHBondContact CE2-OD1 3.41Å; M83-N101 HydrophobicContact CE-CB 3.87Å; M83-N101 HydrophobicContact SD-CB 3.77Å; N101-Y103 PolarHBondContact ND2-O 3.45Å; N101-K105 WeakPolarHBondContact CA-O 3.3Å; N101-K105 PolarHBondContact ND2-O 3.28Å
102	V	98.7	Very high	98.1	Very high	80 Å²	80	58.9 Å²	58.9	49%	0.485	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	111.6	169.3	175.9	0	0	0	0	107.9	F100 N104 K105	F100-V102 HydrophobicContact CD1-CG2 4.26Å; F100-V102 HydrophobicContact CE1-CB 4.45Å; F100-V102 HydrophobicContact CE1-CG2 3.33Å; F100-V102 HydrophobicContact CE2-CG2 4.19Å; F100-V102 HydrophobicContact CZ-CG2 3.28Å; V102-N104 PolarHBondContact O-N 2.95Å; V102-N104 VanDerWaalsContact O-N 3.1Å; V102-K105 PolarHBondContact N-O 3.1Å; V102-K105 VanDerWaalsContact N-O 3.11Å; V102-K105 PolarHBondContact O-N 3.42Å
103	Y	98.5	Very high	97.8	Very high	139 Å²	139	56.9 Å²	56.9	55%	0.545	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-114.9	-178.2	-170.6	-117.1	0	0	0	111.6	F76 N101 K105	F76-Y103 HydrophobicContact CB-CD2 3.69Å; F76-Y103 HydrophobicContact CB-CE2 3.86Å; F76-Y103 HydrophobicContact CB-CG 4.5Å; F76-Y103 WeakPolarHBondContact CD2-O 3.15Å; N101-Y103 PolarHBondContact ND2-O 3.45Å; Y103-K105 VanDerWaalsContact C-N 3.34Å
104	N	98.4	Very high	97.4	Very high	41 Å²	41	60.8 Å²	60.8	22%	0.219	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.4	-177	72.1	-38.2	0	0	0	114	F73 V102	F73-N104 PolarHBondContact N-O 3.23Å; F73-N104 VanDerWaalsContact O-CB 3.29Å; F73-N104 WeakPolarHBondContact O-CB 3.44Å; F73-N104 PolarHBondContact O-ND2 3.39Å; V102-N104 PolarHBondContact O-N 2.95Å; V102-N104 VanDerWaalsContact O-N 3.1Å
105	K	98.8	Very high	97	Very high	92 Å²	92	56.6 Å²	56.6	40%	0.4	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132	-179.7	-47.8	-158.5	165.4	-164.4	0	111.2	L71 H72 N101 V102 Y103	L71-K105 WeakPolarHBondContact O-CA 3.37Å; H72-K105 WeakPolarHBondContact NE2-CD 3.41Å; H72-K105 VanDerWaalsContact NE2-CE 3.33Å; H72-K105 WeakPolarHBondContact NE2-CE 3.36Å; H72-K105 PolarHBondContact NE2-NZ 2.73Å; N101-K105 WeakPolarHBondContact CA-O 3.3Å; N101-K105 PolarHBondContact ND2-O 3.28Å; V102-K105 PolarHBondContact N-O 3.1Å; V102-K105 VanDerWaalsContact N-O 3.11Å; V102-K105 PolarHBondContact O-N 3.42Å; Y103-K105 VanDerWaalsContact C-N 3.34Å
106	V	98.8	Very high	96.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.1	174.5	-171.6	0	0	0	0	108.9	L71 F73 A79 F82 M83 W99 I108	L71-V106 PolarHBondContact N-O 2.92Å; L71-V106 PolarHBondContact O-N 3.36Å; F73-V106 HydrophobicContact CD2-CG2 4.14Å; F73-V106 HydrophobicContact CE2-CB 4.27Å; F73-V106 HydrophobicContact CE2-CG2 3.8Å; A79-V106 HydrophobicContact CB-CG2 3.95Å; F82-V106 HydrophobicContact CE1-CG1 4.3Å; M83-V106 HydrophobicContact CG-CG1 4.15Å; M83-V106 HydrophobicContact CG-CG2 4.12Å; M83-V106 HydrophobicContact SD-CG1 4.31Å; M83-V106 HydrophobicContact SD-CG2 3.97Å; W99-V106 HydrophobicContact CE3-CG1 4.3Å; V106-I108 HydrophobicContact CG1-CD1 4.15Å; V106-I108 HydrophobicContact CG1-CG1 3.81Å
107	Q	98.8	Very high	96.5	Very high	66 Å²	66	54.6 Å²	54.6	31%	0.308	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.4	174.7	-71.1	177.7	5.7	0	0	108.6	F68 E70 W99 F100	F68-Q107 HydrophobicContact CE2-CB 3.87Å; F68-Q107 HydrophobicContact CE2-CG 4.26Å; F68-Q107 HydrophobicContact CZ-CB 4.15Å; F68-Q107 HydrophobicContact CZ-CG 4.04Å; E70-Q107 HydrophobicContact CB-CG 4.29Å; E70-Q107 HydrophobicContact CG-CG 3.97Å; E70-Q107 WeakPolarHBondContact OE2-CG 3.41Å; E70-Q107 PolarHBondContact OE2-NE2 3.1Å; W99-Q107 CarbonylContact C-O 3.51Å; W99-Q107 WeakPolarHBondContact CA-O 3.43Å; W99-Q107 WeakPolarHBondContact CB-O 3.47Å; F100-Q107 HydrophobicContact CB-CB 4.32Å; F100-Q107 PolarHBondContact N-O 3.22Å; F100-Q107 PolarHBondContact O-N 3.16Å
108	I	98.8	Very high	96.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.1	-172.2	-52.2	170.4	0	0	0	109	W58 F68 K69 L71 F82 P97 W99 V106 L110 I129	W58-I108 HydrophobicContact CH2-CB 4.38Å; W58-I108 HydrophobicContact CH2-CG2 4.1Å; W58-I108 HydrophobicContact CZ3-CG2 4.47Å; F68-I108 CarbonylContact C-O 3.56Å; F68-I108 VanDerWaalsContact CA-O 3.24Å; F68-I108 WeakPolarHBondContact CA-O 3.28Å; F68-I108 WeakPolarHBondContact CD2-O 3.38Å; K69-I108 PolarHBondContact N-O 3.3Å; K69-I108 PolarHBondContact O-N 3.45Å; L71-I108 HydrophobicContact CD1-CD1 3.97Å; F82-I108 HydrophobicContact CE1-CD1 3.94Å; F82-I108 HydrophobicContact CZ-CD1 3.88Å; P97-I108 HydrophobicContact CB-CG2 3.96Å; W99-I108 HydrophobicContact CB-CG1 4.42Å; V106-I108 HydrophobicContact CG1-CD1 4.15Å; V106-I108 HydrophobicContact CG1-CG1 3.81Å; I108-L110 HydrophobicContact CG2-CD2 4.18Å; I108-L110 HydrophobicContact CG2-CG 4.28Å; I108-I129 HydrophobicContact CD1-CD1 4.23Å; I108-I129 HydrophobicContact CD1-CG2 4.02Å; I108-I129 HydrophobicContact CG2-CD1 4.06Å
109	T	98.7	Very high	96.3	Very high	24 Å²	24	50.5 Å²	50.5	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.5	170.4	-57.5	0	0	0	0	109.2	V61 A66 I67 E98	V61-T109 HydrophobicContact CG2-CG2 4.24Å; A66-T109 HydrophobicContact CB-CG2 3.84Å; I67-T109 CarbonylContact O-C 3.45Å; I67-T109 VanDerWaalsContact O-CA 3.28Å; I67-T109 WeakPolarHBondContact O-CA 3.29Å; E98-T109 PolarHBondContact N-O 3.07Å; E98-T109 PolarHBondContact O-N 3.04Å; E98-T109 VanDerWaalsContact O-O 3.13Å
110	L	98.5	Very high	96.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.5	176.2	-58	174.1	0	0	0	110.2	W58 A66 I67 P97 I108 D122 M125 A126 I129	W58-L110 HydrophobicContact CH2-CD1 3.48Å; W58-L110 VanDerWaalsContact CH2-CD1 3.48Å; W58-L110 HydrophobicContact CH2-CG 4.01Å; W58-L110 HydrophobicContact CZ2-CD1 4.26Å; W58-L110 HydrophobicContact CZ3-CD1 3.72Å; W58-L110 HydrophobicContact CZ3-CG 3.96Å; A66-L110 WeakPolarHBondContact CA-O 3.47Å; A66-L110 WeakPolarHBondContact CB-O 3.3Å; I67-L110 HydrophobicContact CD1-CB 4.24Å; I67-L110 HydrophobicContact CD1-CD1 4.13Å; I67-L110 HydrophobicContact CG1-CB 3.79Å; I67-L110 HydrophobicContact CG1-CD1 4.43Å; I67-L110 PolarHBondContact N-O 2.69Å; I67-L110 PolarHBondContact O-N 2.86Å; P97-L110 HydrophobicContact CB-CD2 3.67Å; I108-L110 HydrophobicContact CG2-CD2 4.18Å; I108-L110 HydrophobicContact CG2-CG 4.28Å; L110-D122 HydrophobicContact CB-CB 4.14Å; L110-M125 HydrophobicContact CD1-CB 4.08Å; L110-M125 HydrophobicContact CD1-CG 4Å; L110-M125 HydrophobicContact CD2-CB 4.42Å; L110-M125 HydrophobicContact CD2-CG 3.76Å; L110-A126 HydrophobicContact CD1-CB 3.82Å; L110-I129 HydrophobicContact CD1-CD1 4.19Å; L110-I129 HydrophobicContact CD2-CD1 4.47Å
111	T	97.3	Very high	96	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	24%	0.239	C	C	.	.			trans	-155.4	158.2	168.4	-172.6	0	0	0	0	108.6	D65 A66 G117 D122	D65-T111 WeakPolarHBondContact O-CB 3.29Å; D65-T111 PolarHBondContact O-OG1 3.22Å; A66-T111 HydrophobicContact CB-CG2 4.45Å; T111-G117 PolarHBondContact OG1-O 2.73Å; T111-D122 VanDerWaalsContact CA-OD1 3.26Å; T111-D122 WeakPolarHBondContact CA-OD1 3.07Å; T111-D122 PolarHBondContact N-OD1 3.16Å; T111-D122 VanDerWaalsContact N-OD1 3.12Å
112	T	96.7	Very high	95.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-101.1	106.6	175.8	-62.9	0	0	0	0	109.9	H95 D114 C115 G116 G117 S119 D122	H95-T112 PolarHBondContact CE1-OG1 2.65Å; T112-D114 VanDerWaalsContact C-N 3.29Å; T112-D114 HydrophobicContact CG2-CB 4.24Å; T112-D114 PolarHBondContact O-N 3.14Å; T112-C115 VanDerWaalsContact CB-SG 3.58Å; T112-C115 VanDerWaalsContact CG2-SG 3.57Å; T112-C115 PolarHBondContact O-N 2.87Å; T112-G116 PolarHBondContact O-N 3.09Å; T112-G117 WeakPolarHBondContact CA-O 3.25Å; T112-G117 VanDerWaalsContact CB-O 3.29Å; T112-G117 WeakPolarHBondContact CB-O 3.32Å; T112-G117 PolarHBondContact N-O 2.67Å; T112-G117 PolarHBondContact O-N 3Å; T112-S119 WeakPolarHBondContact OG1-CB 3.24Å; T112-S119 PolarHBondContact OG1-OG 3.08Å; T112-D122 PolarHBondContact N-OD2 3.16Å; T112-D122 PolarHBondContact OG1-OD2 2.88Å
113	H	91.4	Very high	95.8	Very high	130 Å²	130	40.4 Å²	40.4	60%	0.602	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-58.6	-37.4	-179.4	-64.7	-74	0	0	0	113.3	E98 C115 G116	E98-H113 IonicContact OE1-CE1 3.25Å; E98-H113 PolarHBondContact OE1-CE1 3.43Å; E98-H113 IonicContact OE1-NE2 3.19Å; E98-H113 PolarHBondContact OE1-NE2 3.22Å; H113-C115 PolarHBondContact O-N 2.94Å; H113-G116 PolarHBondContact O-N 2.79Å
114	D	87.9	Confident	95.8	Very high	128 Å²	128	38.8 Å²	38.8	68%	0.684	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-58.5	-34	-178.1	-58.8	-25.8	0	0	0	113.1	T112 R121	T112-D114 VanDerWaalsContact C-N 3.29Å; T112-D114 HydrophobicContact CG2-CB 4.24Å; T112-D114 PolarHBondContact O-N 3.14Å; D114-R121 IonicContact OD2-CZ 2.71Å; D114-R121 IonicContact OD2-NH1 3.09Å; D114-R121 PolarHBondContact OD2-NH1 2.88Å; D114-R121 IonicContact OD2-NH2 2.69Å; D114-R121 PolarHBondContact OD2-NH2 2.96Å
115	C	88.4	Confident	95.8	Very high	28 Å²	28	36.8 Å²	36.8	19%	0.189	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-111	4.5	179.5	66.2	0	0	0	0	113.8	S38 W40 T112 H113 G117	S38-C115 VanDerWaalsContact O-CB 3.28Å; S38-C115 WeakPolarHBondContact O-CB 3.3Å; S38-C115 PolarHBondContact O-SG 2.8Å; W40-C115 HydrophobicContact CE3-CB 4.29Å; T112-C115 VanDerWaalsContact CB-SG 3.58Å; T112-C115 VanDerWaalsContact CG2-SG 3.57Å; T112-C115 PolarHBondContact O-N 2.87Å; H113-C115 PolarHBondContact O-N 2.94Å; C115-G117 VanDerWaalsContact C-N 3.26Å; C115-G117 PolarHBondContact O-N 2.97Å
116	G	90.4	Very high	95.8	Very high	62 Å²	62	32.4 Å²	32.4	64%	0.639	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	27.1	178.9	0	0	0	0	0	114.6	T112 H113	T112-G116 PolarHBondContact O-N 3.09Å; H113-G116 PolarHBondContact O-N 2.79Å
117	G	94.3	Very high	95.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-175.7	-173.5	-172.7	0	0	0	0	0	115.2	D65 T111 T112 C115 S119	D65-G117 WeakPolarHBondContact O-CA 3.39Å; D65-G117 WeakPolarHBondContact OD2-CA 3.43Å; T111-G117 PolarHBondContact OG1-O 2.73Å; T112-G117 WeakPolarHBondContact CA-O 3.25Å; T112-G117 VanDerWaalsContact CB-O 3.29Å; T112-G117 WeakPolarHBondContact CB-O 3.32Å; T112-G117 PolarHBondContact N-O 2.67Å; T112-G117 PolarHBondContact O-N 3Å; C115-G117 VanDerWaalsContact C-N 3.26Å; C115-G117 PolarHBondContact O-N 2.97Å; G117-S119 PolarHBondContact O-N 2.84Å
118	I	95.6	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.			trans	-72.8	128.1	-179.5	-60	163.9	0	0	0	109.7	W40 L41 D65 I67 D122	W40-I118 WeakPolarHBondContact CA-O 3.49Å; L41-I118 HydrophobicContact CD1-CG2 3.73Å; L41-I118 HydrophobicContact CG-CG2 4.41Å; L41-I118 PolarHBondContact N-O 3.06Å; D65-I118 VanDerWaalsContact OD1-CD1 3.24Å; D65-I118 WeakPolarHBondContact OD1-CD1 3.31Å; D65-I118 VanDerWaalsContact OD1-CG1 3.3Å; D65-I118 WeakPolarHBondContact OD1-CG1 3.42Å; D65-I118 PolarHBondContact OD2-N 3.44Å; I67-I118 HydrophobicContact CG2-CD1 3.65Å; I67-I118 HydrophobicContact CG2-CG1 4.4Å; I118-D122 WeakPolarHBondContact CA-OD2 3.5Å; I118-D122 HydrophobicContact CG2-CB 4.12Å
119	S	95.7	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-121.1	179.3	174.5	84.2	0	0	0	0	112.5	D37 H39 T112 G117 R121 D122 V123	D37-S119 PolarHBondContact O-OG 3.41Å; H39-S119 WeakPolarHBondContact O-CB 3.43Å; T112-S119 WeakPolarHBondContact OG1-CB 3.24Å; T112-S119 PolarHBondContact OG1-OG 3.08Å; G117-S119 PolarHBondContact O-N 2.84Å; S119-R121 PolarHBondContact O-N 2.99Å; S119-R121 WeakPolarHBondContact OG-CB 3.4Å; S119-R121 PolarHBondContact OG-N 3.26Å; S119-D122 PolarHBondContact N-OD2 3.02Å; S119-D122 PolarHBondContact O-N 3.19Å; S119-V123 PolarHBondContact O-N 3.09Å
120	K	95.1	Very high	95.7	Very high	78 Å²	78	35.6 Å²	35.6	34%	0.339	19%	0.185	S	C	.	.	H	α-helix	trans	-61.4	-25.2	172.4	-66	-177.6	179.7	178	0	112.5	D37 L41 K124	D37-K120 HydrophobicContact CB-CB 4.39Å; L41-K120 HydrophobicContact CD2-CG 3.65Å; K120-K124 WeakPolarHBondContact O-CB 3.35Å; K120-K124 VanDerWaalsContact O-CG 3.23Å; K120-K124 WeakPolarHBondContact O-CG 3.33Å; K120-K124 PolarHBondContact O-N 2.67Å
121	R	96.1	Very high	95.7	Very high	39 Å²	39	42.8 Å²	42.8	15%	0.147	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-42.5	176.2	-68.7	-175.4	-83.6	-178.1	-5	111.5	D37 H95 D114 S119 K124 M125	D37-R121 HydrophobicContact CB-CG 4.36Å; H95-R121 HydrophobicContact CB-CB 4.39Å; D114-R121 IonicContact OD2-CZ 2.71Å; D114-R121 IonicContact OD2-NH1 3.09Å; D114-R121 PolarHBondContact OD2-NH1 2.88Å; D114-R121 IonicContact OD2-NH2 2.69Å; D114-R121 PolarHBondContact OD2-NH2 2.96Å; S119-R121 PolarHBondContact O-N 2.99Å; S119-R121 WeakPolarHBondContact OG-CB 3.4Å; S119-R121 PolarHBondContact OG-N 3.26Å; R121-K124 PolarHBondContact O-N 3.09Å; R121-M125 WeakPolarHBondContact O-CB 3.23Å; R121-M125 PolarHBondContact O-N 2.97Å
122	D	97.7	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-46.4	177	-59.3	-57.1	0	0	0	111.1	H95 L110 T111 T112 I118 S119 K124 M125 A126	H95-D122 IonicContact CD2-OD1 3.18Å; H95-D122 IonicContact CE1-OD1 3.44Å; H95-D122 PolarHBondContact CE1-OD1 3.29Å; H95-D122 VanDerWaalsContact CE1-OD1 3.25Å; H95-D122 IonicContact NE2-OD1 2.73Å; H95-D122 PolarHBondContact NE2-OD1 3.07Å; L110-D122 HydrophobicContact CB-CB 4.14Å; T111-D122 VanDerWaalsContact CA-OD1 3.26Å; T111-D122 WeakPolarHBondContact CA-OD1 3.07Å; T111-D122 PolarHBondContact N-OD1 3.16Å; T111-D122 VanDerWaalsContact N-OD1 3.12Å; T112-D122 PolarHBondContact N-OD2 3.16Å; T112-D122 PolarHBondContact OG1-OD2 2.88Å; I118-D122 WeakPolarHBondContact CA-OD2 3.5Å; I118-D122 HydrophobicContact CG2-CB 4.12Å; S119-D122 PolarHBondContact N-OD2 3.02Å; S119-D122 PolarHBondContact O-N 3.19Å; D122-K124 PolarHBondContact O-N 3.35Å; D122-M125 PolarHBondContact O-N 3.24Å; D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 2.69Å
123	V	97.2	Very high	95.7	Very high	8 Å²	8	44 Å²	44	5%	0.048	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-43.5	177.4	178.9	0	0	0	0	111.6	L41 L49 L53 S119 M125 A126 K127	L41-V123 HydrophobicContact CD1-CG2 4.06Å; L49-V123 HydrophobicContact CB-CG1 4.24Å; L49-V123 HydrophobicContact CB-CG2 4.1Å; L49-V123 HydrophobicContact CD1-CG1 4.35Å; L49-V123 HydrophobicContact CD1-CG2 4.21Å; L49-V123 HydrophobicContact CD2-CG1 4.25Å; L53-V123 HydrophobicContact CD1-CG1 4.41Å; L53-V123 HydrophobicContact CD1-CG2 4.19Å; S119-V123 PolarHBondContact O-N 3.09Å; V123-M125 VanDerWaalsContact C-N 3.35Å; V123-A126 PolarHBondContact O-N 3.32Å; V123-K127 HydrophobicContact CG1-CD 4.31Å; V123-K127 WeakPolarHBondContact O-CG 3.38Å; V123-K127 PolarHBondContact O-N 3.23Å
124	K	97.3	Very high	95.9	Very high	104 Å²	104	45.2 Å²	45.2	45%	0.452	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-42.5	176.5	-74.8	171.9	-175.4	-178.7	0	111.4	D37 M93 K120 R121 D122 F128	D37-K124 IonicContact OD2-NZ 3.7Å; D37-K124 PolarHBondContact OD2-NZ 3.4Å; M93-K124 HydrophobicContact CE-CB 3.82Å; K120-K124 WeakPolarHBondContact O-CB 3.35Å; K120-K124 VanDerWaalsContact O-CG 3.23Å; K120-K124 WeakPolarHBondContact O-CG 3.33Å; K120-K124 PolarHBondContact O-N 2.67Å; R121-K124 PolarHBondContact O-N 3.09Å; D122-K124 PolarHBondContact O-N 3.35Å; K124-F128 PolarHBondContact O-N 3.23Å; K124-F128 VanDerWaalsContact O-N 3.1Å
125	M	98.5	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-44.8	178.1	-177.8	58	79.1	0	0	111.4	V86 A90 M93 H95 L110 R121 D122 V123 K127 F128 I129	V86-M125 HydrophobicContact CG1-SD 4.23Å; A90-M125 HydrophobicContact CB-CE 3.86Å; M93-M125 HydrophobicContact CE-CB 4.11Å; M93-M125 HydrophobicContact CE-CE 4.26Å; M93-M125 HydrophobicContact SD-CE 3.88Å; H95-M125 WeakPolarHBondContact O-CE 3.4Å; L110-M125 HydrophobicContact CD1-CB 4.08Å; L110-M125 HydrophobicContact CD1-CG 4Å; L110-M125 HydrophobicContact CD2-CB 4.42Å; L110-M125 HydrophobicContact CD2-CG 3.76Å; R121-M125 WeakPolarHBondContact O-CB 3.23Å; R121-M125 PolarHBondContact O-N 2.97Å; D122-M125 PolarHBondContact O-N 3.24Å; V123-M125 VanDerWaalsContact C-N 3.35Å; M125-K127 PolarHBondContact O-N 3.37Å; M125-F128 WeakPolarHBondContact O-CB 3.25Å; M125-F128 PolarHBondContact O-N 2.9Å; M125-F128 VanDerWaalsContact O-N 3.16Å; M125-I129 HydrophobicContact CG-CD1 3.85Å; M125-I129 WeakPolarHBondContact O-CG1 3.42Å; M125-I129 PolarHBondContact O-N 2.61Å; M125-I129 HydrophobicContact SD-CD1 4.25Å; M125-I129 HydrophobicContact SD-CG1 4.39Å
126	A	98.4	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-47.6	177	0	0	0	0	0	112.1	L53 W58 I67 L110 D122 V123 F128 I129 D130	L53-A126 HydrophobicContact CD1-CB 4.03Å; L53-A126 HydrophobicContact CD2-CB 3.67Å; W58-A126 HydrophobicContact CD2-CB 4.19Å; W58-A126 HydrophobicContact CH2-CB 4.19Å; W58-A126 HydrophobicContact CZ2-CB 3.67Å; I67-A126 HydrophobicContact CD1-CB 3.93Å; L110-A126 HydrophobicContact CD1-CB 3.82Å; D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 2.69Å; V123-A126 PolarHBondContact O-N 3.32Å; A126-F128 VanDerWaalsContact C-N 3.31Å; A126-F128 PolarHBondContact O-N 3.41Å; A126-I129 WeakPolarHBondContact O-CB 3.16Å; A126-I129 PolarHBondContact O-N 2.87Å; A126-D130 PolarHBondContact O-N 3.46Å
127	K	98.1	Very high	96.2	Very high	93 Å²	93	44.6 Å²	44.6	40%	0.404	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-36.9	176.3	-71.5	-177.2	176.7	-171.9	0	112.3	E52 L53 V123 M125 K131	E52-K127 IonicContact OE2-NZ 2.69Å; E52-K127 PolarHBondContact OE2-NZ 3.47Å; L53-K127 HydrophobicContact CD2-CG 4.25Å; V123-K127 HydrophobicContact CG1-CD 4.31Å; V123-K127 WeakPolarHBondContact O-CG 3.38Å; V123-K127 PolarHBondContact O-N 3.23Å; M125-K127 PolarHBondContact O-N 3.37Å; K127-K131 PolarHBondContact O-N 3.1Å; K127-K131 VanDerWaalsContact O-N 3.16Å
128	F	98.4	Very high	96.3	Very high	46 Å²	46	46.9 Å²	46.9	20%	0.202	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-46.3	174.4	177.5	-92.4	0	0	0	111.8	V86 Q89 K124 M125 A126 D130 K131 I132	V86-F128 HydrophobicContact CG2-CE1 4.45Å; Q89-F128 HydrophobicContact CB-CD1 3.78Å; Q89-F128 HydrophobicContact CB-CD2 4.44Å; Q89-F128 HydrophobicContact CB-CE1 3.33Å; Q89-F128 HydrophobicContact CB-CE2 4.05Å; Q89-F128 HydrophobicContact CB-CG 4.32Å; Q89-F128 HydrophobicContact CB-CZ 3.48Å; Q89-F128 VanDerWaalsContact CB-CZ 3.48Å; Q89-F128 HydrophobicContact CG-CB 4.49Å; Q89-F128 HydrophobicContact CG-CD1 3.64Å; Q89-F128 HydrophobicContact CG-CD2 3.83Å; Q89-F128 HydrophobicContact CG-CE1 3.69Å; Q89-F128 HydrophobicContact CG-CE2 3.86Å; Q89-F128 HydrophobicContact CG-CG 3.71Å; Q89-F128 HydrophobicContact CG-CZ 3.8Å; K124-F128 PolarHBondContact O-N 3.23Å; K124-F128 VanDerWaalsContact O-N 3.1Å; M125-F128 WeakPolarHBondContact O-CB 3.25Å; M125-F128 PolarHBondContact O-N 2.9Å; M125-F128 VanDerWaalsContact O-N 3.16Å; A126-F128 VanDerWaalsContact C-N 3.31Å; A126-F128 PolarHBondContact O-N 3.41Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 3.46Å; F128-K131 WeakPolarHBondContact O-CB 3.18Å; F128-K131 PolarHBondContact O-N 3.16Å; F128-K131 VanDerWaalsContact O-N 3.16Å; F128-I132 HydrophobicContact CD1-CG1 4.02Å; F128-I132 HydrophobicContact CE1-CD1 4.17Å; F128-I132 HydrophobicContact CE1-CG1 3.48Å; F128-I132 VanDerWaalsContact CE1-CG1 3.48Å; F128-I132 HydrophobicContact CE2-CD1 4.03Å; F128-I132 HydrophobicContact CE2-CG1 4.14Å; F128-I132 HydrophobicContact CZ-CD1 3.69Å; F128-I132 HydrophobicContact CZ-CG1 3.55Å; F128-I132 WeakPolarHBondContact O-CG1 3.21Å; F128-I132 PolarHBondContact O-N 2.75Å
129	I	98.6	Very high	96.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-54.7	-49	175.9	-78.3	162	0	0	0	110.6	W58 L71 F82 V86 I108 L110 M125 A126 K131 I132 A133	W58-I129 HydrophobicContact CH2-CD1 3.98Å; W58-I129 HydrophobicContact CH2-CG2 4.42Å; W58-I129 HydrophobicContact CZ2-CB 4.17Å; W58-I129 HydrophobicContact CZ2-CD1 4.22Å; W58-I129 HydrophobicContact CZ2-CG2 3.84Å; L71-I129 HydrophobicContact CD1-CG2 4.05Å; F82-I129 HydrophobicContact CE2-CG2 4.17Å; F82-I129 HydrophobicContact CZ-CG2 3.82Å; V86-I129 HydrophobicContact CG1-CD1 4.28Å; V86-I129 HydrophobicContact CG1-CG1 3.97Å; V86-I129 HydrophobicContact CG2-CG1 3.9Å; I108-I129 HydrophobicContact CD1-CD1 4.23Å; I108-I129 HydrophobicContact CD1-CG2 4.02Å; I108-I129 HydrophobicContact CG2-CD1 4.06Å; L110-I129 HydrophobicContact CD1-CD1 4.19Å; L110-I129 HydrophobicContact CD2-CD1 4.47Å; M125-I129 HydrophobicContact CG-CD1 3.85Å; M125-I129 WeakPolarHBondContact O-CG1 3.42Å; M125-I129 PolarHBondContact O-N 2.61Å; M125-I129 HydrophobicContact SD-CD1 4.25Å; M125-I129 HydrophobicContact SD-CG1 4.39Å; A126-I129 WeakPolarHBondContact O-CB 3.16Å; A126-I129 PolarHBondContact O-N 2.87Å; I129-K131 VanDerWaalsContact C-N 3.3Å; I129-K131 PolarHBondContact O-N 3.16Å; I129-I132 PolarHBondContact O-N 3.28Å; I129-I132 VanDerWaalsContact O-N 3.15Å; I129-A133 WeakPolarHBondContact O-CB 3.34Å; I129-A133 PolarHBondContact O-N 3.33Å
130	D	98.3	Very high	96.4	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-42.9	178.5	-74.3	-12.4	0	0	0	111.5	T56 W58 K69 A126 F128 I132 A133 L134	T56-D130 WeakPolarHBondContact CB-OD2 3.37Å; T56-D130 PolarHBondContact OG1-OD2 3.42Å; W58-D130 PolarHBondContact NE1-OD1 2.88Å; W58-D130 VanDerWaalsContact NE1-OD1 3.1Å; W58-D130 PolarHBondContact NE1-OD2 3.35Å; K69-D130 IonicContact NZ-OD1 3.39Å; K69-D130 PolarHBondContact NZ-OD1 3.22Å; K69-D130 IonicContact NZ-OD2 3.65Å; A126-D130 PolarHBondContact O-N 3.46Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 3.46Å; D130-I132 PolarHBondContact O-N 3.25Å; D130-A133 PolarHBondContact O-N 3.28Å; D130-L134 VanDerWaalsContact O-CG 3.29Å; D130-L134 WeakPolarHBondContact O-CG 3.1Å; D130-L134 PolarHBondContact O-N 2.82Å
131	K	98.1	Very high	96.5	Very high	152 Å²	152	50.8 Å²	50.8	66%	0.661	25%	0.251	S	S	*	.	H	α-helix	trans	-60.6	-43.7	176	-178.7	-178.9	177.8	179.9	0	112.5	K127 F128 I129	K127-K131 PolarHBondContact O-N 3.1Å; K127-K131 VanDerWaalsContact O-N 3.16Å; F128-K131 WeakPolarHBondContact O-CB 3.18Å; F128-K131 PolarHBondContact O-N 3.16Å; F128-K131 VanDerWaalsContact O-N 3.16Å; I129-K131 VanDerWaalsContact C-N 3.3Å; I129-K131 PolarHBondContact O-N 3.16Å
132	I	97.9	Very high	96.5	Very high	18 Å²	18	51.6 Å²	51.6	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-70.1	-41.2	179.5	-59	-53.9	0	0	0	110.6	F82 R85 F128 I129 D130 L134 S135	F82-I132 HydrophobicContact CD2-CB 4.17Å; F82-I132 HydrophobicContact CD2-CG2 3.69Å; F82-I132 HydrophobicContact CE2-CB 4.24Å; F82-I132 HydrophobicContact CE2-CG2 4.24Å; R85-I132 HydrophobicContact CB-CG2 4.01Å; F128-I132 HydrophobicContact CD1-CG1 4.02Å; F128-I132 HydrophobicContact CE1-CD1 4.17Å; F128-I132 HydrophobicContact CE1-CG1 3.48Å; F128-I132 VanDerWaalsContact CE1-CG1 3.48Å; F128-I132 HydrophobicContact CE2-CD1 4.03Å; F128-I132 HydrophobicContact CE2-CG1 4.14Å; F128-I132 HydrophobicContact CZ-CD1 3.69Å; F128-I132 HydrophobicContact CZ-CG1 3.55Å; F128-I132 WeakPolarHBondContact O-CG1 3.21Å; F128-I132 PolarHBondContact O-N 2.75Å; I129-I132 PolarHBondContact O-N 3.28Å; I129-I132 VanDerWaalsContact O-N 3.15Å; D130-I132 PolarHBondContact O-N 3.25Å; I132-L134 VanDerWaalsContact C-N 3.3Å; I132-L134 PolarHBondContact O-N 3.14Å; I132-S135 PolarHBondContact O-N 2.81Å; I132-S135 PolarHBondContact O-OG 3.2Å
133	A	96.9	Very high	96.4	Very high	21 Å²	21	55.3 Å²	55.3	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-38.3	178.2	0	0	0	0	0	112.2	L71 F82 I129 D130 S135 M136	L71-A133 HydrophobicContact CD1-CB 4.1Å; L71-A133 HydrophobicContact CD2-CB 4.37Å; F82-A133 HydrophobicContact CD2-CB 4.43Å; F82-A133 HydrophobicContact CE2-CB 4.05Å; I129-A133 WeakPolarHBondContact O-CB 3.34Å; I129-A133 PolarHBondContact O-N 3.33Å; D130-A133 PolarHBondContact O-N 3.28Å; A133-S135 PolarHBondContact O-N 3Å; A133-M136 PolarHBondContact O-N 3.3Å
134	L	95.4	Very high	96.4	Very high	155 Å²	155	58.9 Å²	58.9	81%	0.812	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.9	174.9	-71.5	171.2	0	0	0	114.1	D130 I132	D130-L134 VanDerWaalsContact O-CG 3.29Å; D130-L134 WeakPolarHBondContact O-CG 3.1Å; D130-L134 PolarHBondContact O-N 2.82Å; I132-L134 VanDerWaalsContact C-N 3.3Å; I132-L134 PolarHBondContact O-N 3.14Å
135	S	92.6	Very high	96.3	Very high	69 Å²	69	55.2 Å²	55.2	48%	0.483	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	7.2	-178.1	73.4	0	0	0	0	114.4	I132 A133	I132-S135 PolarHBondContact O-N 2.81Å; I132-S135 PolarHBondContact O-OG 3.2Å; A133-S135 PolarHBondContact O-N 3Å
136	M	84.1	Confident	96.1	Very high	91 Å²	91	60.2 Å²	60.2	45%	0.448	31%	0.306	S	S	.	.			trans	-121	0	-175	-70.7	-74.2	151.6	0	0	111.1	F73 F82 A133	F73-M136 HydrophobicContact CD1-CB 4.38Å; F73-M136 HydrophobicContact CE1-CB 4.17Å; F82-M136 HydrophobicContact CB-CG 4.48Å; A133-M136 PolarHBondContact O-N 3.3Å

Retrieved 136 of 136 residues in 265.7 ms (Link to these results)

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