A0A087XNK4_POEFO Loading...

3-oxoacyl-[acyl-carrier-protein] synthase

May play a role in the biosynthesis of lipoic acid as well as longer chain fatty acids required for optimal mitochondrial function.

AlphaFold DB , UniProt , Accession A0A087XNK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 465 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	33.7	Very low	237 Å²	237	155 Å²	155	100%	1.167	86%	0.863	S	S	*	*				0	69.5	0	-55.3	-176.9	-135.4	0	0	107
2	S	29.7	Very low	33.8	Very low	119 Å²	119	156.2 Å²	156.2	83%	0.832	87%	0.865	S	S	*	*				45.2	126.6	59.1	72.1	0	0	0	0	112.3
3	A	29	Very low	33.8	Very low	99 Å²	99	158.3 Å²	158.3	82%	0.818	86%	0.864	S	S	*	*			cis	-165.4	166.4	3.9	0	0	0	0	0	108.9
4	L	34.1	Very low	33.7	Very low	175 Å²	175	164.2 Å²	164.2	92%	0.916	87%	0.867	S	S	*	*			trans	-57.3	144.5	163.8	-70	129.5	0	0	0	113.3
5	S	32.4	Very low	33.7	Very low	103 Å²	103	164.8 Å²	164.8	72%	0.72	87%	0.871	S	S	*	*			trans	-170.3	122.8	137.5	66.2	0	0	0	0	110
6	L	32.6	Very low	33.6	Very low	170 Å²	170	164.4 Å²	164.4	89%	0.89	87%	0.869	S	S	*	*				49	87.8	87.1	-93.8	133.2	0	0	0	114.5
7	S	34.2	Very low	33.6	Very low	103 Å²	103	165.5 Å²	165.5	72%	0.72	87%	0.868	S	S	*	*			trans	-164.2	87.6	144.1	56.2	0	0	0	0	112.6
8	C	33.3	Very low	33.5	Very low	126 Å²	126	169.3 Å²	169.3	85%	0.851	87%	0.87	S	S	*	*	S	Bend	trans	-126.6	38.7	157.2	-150.9	0	0	0	0	110.4
9	W	32.9	Very low	33.4	Very low	241 Å²	241	167.5 Å²	167.5	91%	0.913	87%	0.868	S	S	*	*	S	Bend	trans	-130.1	30.4	-179.4	-86	92.9	0	0	0	112.9
10	T	36.1	Very low	33.3	Very low	122 Å²	122	171.3 Å²	171.3	75%	0.748	87%	0.87	S	S	*	*			trans	-141.5	52	175.7	30.7	0	0	0	0	112
11	K	35.3	Very low	33.2	Very low	210 Å²	210	169.9 Å²	169.9	91%	0.913	87%	0.871	S	S	*	*	S	Bend	trans	-136.5	34.1	159.8	-89.1	-170.1	179.7	176.8	0	112.4
12	L	35	Very low	32.7	Very low	169 Å²	169	166.9 Å²	166.9	89%	0.885	86%	0.858	S	S	*	*	S	Bend	trans	-141.3	55.2	177	-121.7	139	0	0	0	110.6
13	Q	34.4	Very low	32.8	Very low	184 Å²	184	169.2 Å²	169.2	86%	0.86	86%	0.861	S	S	*	*			trans	-161.9	80.2	166.6	-109	178.5	8.3	0	0	109.5
14	R	32.7	Very low	33	Very low	241 Å²	241	173.6 Å²	173.6	91%	0.909	86%	0.864	S	S	*	*	S	Bend	trans	-174.4	87.8	156.8	-106.9	170.8	178.7	-164.6	-0.8	108.4
15	N	32.4	Very low	32.8	Very low	173 Å²	173	175.5 Å²	175.5	93%	0.925	87%	0.865	S	S	*	*			trans	169.2	61.3	148.2	-83.9	-16.5	0	0	0	109.1
16	L	33.1	Very low	32.8	Very low	158 Å²	158	175.9 Å²	175.9	83%	0.827	87%	0.874	S	S	*	*			trans	-107	82.4	166.6	-107.9	151.2	0	0	0	106.2
17	H	33.1	Very low	32.7	Very low	184 Å²	184	171.9 Å²	171.9	85%	0.852	87%	0.866	S	S	*	*			trans	-172.2	85.6	162.7	-107.9	54.4	0	0	0	106.9
18	Y	31.8	Very low	32.6	Very low	233 Å²	233	176.3 Å²	176.3	91%	0.914	87%	0.872	S	S	*	*			trans	170.9	75	152.4	-103.8	-77.3	0	0	0	108.1
19	T	32.6	Very low	32.3	Very low	135 Å²	135	177 Å²	177	83%	0.828	88%	0.877	S	S	*	*			trans	-160.7	81.1	166.4	15.1	0	0	0	0	107.8
20	R	30.3	Very low	32.3	Very low	243 Å²	243	169.7 Å²	169.7	92%	0.917	86%	0.862	S	S	*	*			trans	-171	79.6	163.5	-114.5	179.7	-176.5	-166.9	1.4	111.1
21	T	31.6	Very low	32.3	Very low	143 Å²	143	171.1 Å²	171.1	88%	0.877	87%	0.866	S	S	*	*			trans	-176.1	146.6	148.3	17	0	0	0	0	109.6
22	L	30.1	Very low	32.1	Very low	173 Å²	173	170 Å²	170	91%	0.906	86%	0.863	S	S	*	*			trans	94.4	55.3	176	-52.8	167.9	0	0	0	116.6
23	L	32.3	Very low	31.9	Very low	169 Å²	169	167.3 Å²	167.3	89%	0.885	86%	0.856	S	S	*	*			trans	-116.6	89.3	146.6	-90.2	161.2	0	0	0	107.5
24	H	32.3	Very low	32	Very low	191 Å²	191	165.1 Å²	165.1	88%	0.884	86%	0.855	S	S	*	*			trans	-179.2	103.7	154.3	-100.1	-45.2	0	0	0	110.1
25	K	30.1	Very low	32	Very low	215 Å²	215	162.4 Å²	162.4	94%	0.935	85%	0.853	S	S	*	*			trans	157.4	86.9	144.8	-90.3	177.4	179.5	-175.7	0	109
26	A	31.9	Very low	32.2	Very low	110 Å²	110	159.2 Å²	159.2	91%	0.909	84%	0.844	S	S	*	*			trans	-129.1	89.1	157.4	0	0	0	0	0	106.6
27	A	32	Very low	32.4	Very low	87 Å²	87	155.4 Å²	155.4	72%	0.719	83%	0.831	S	S	*	*			trans	-150.5	124	169.6	0	0	0	0	0	107.9
28	F	30.9	Very low	32.6	Very low	195 Å²	195	155.4 Å²	155.4	86%	0.855	83%	0.831	S	S	*	*			trans	64.1	104.8	163.1	-78.6	-94.4	0	0	0	119
29	C	27.6	Very low	33.2	Very low	140 Å²	140	154.1 Å²	154.1	95%	0.946	83%	0.826	S	S	*	*				-142.4	122.6	127.6	-119.2	0	0	0	0	109.8
30	S	33.1	Very low	33.7	Very low	88 Å²	88	150.1 Å²	150.1	62%	0.615	81%	0.811	S	S	*	*			trans	-87.3	154.9	-173.6	39.8	0	0	0	0	112.9
31	N	35	Very low	34.4	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	81%	0.813	S	S	*	*			trans	57.6	90.2	152.6	-65.5	-7.4	0	0	0	118.3
32	H	30.9	Very low	35.5	Very low	185 Å²	185	149.8 Å²	149.8	86%	0.856	81%	0.81	S	S	*	*			trans	-100.8	127.3	143.7	-83.6	-62	0	0	0	108.8	T34	H32-T34 PolarHBondContact O-N 2.81Å
33	P	32.5	Very low	37.5	Very low	113 Å²	113	146.5 Å²	146.5	73%	0.734	80%	0.802	S	S	*	*			trans	-66.3	121.6	170.7	28.1	-30.1	0	0	0	107.5	Q35	P33-Q35 VanDerWaalsContact C-N 3.33Å; P33-Q35 PolarHBondContact O-N 3.38Å
34	T	35.2	Very low	40	Very low	138 Å²	138	144 Å²	144	85%	0.847	79%	0.793	S	S	*	*			trans	-59.6	100.2	165.5	44.1	0	0	0	0	107.2	H32 S36	H32-T34 PolarHBondContact O-N 2.81Å; T34-S36 VanDerWaalsContact C-N 3.28Å; T34-S36 PolarHBondContact O-N 2.78Å
35	Q	33.9	Very low	43	Very low	185 Å²	185	138.1 Å²	138.1	86%	0.864	76%	0.763	S	S	*	*			trans	-59.3	103.1	159.3	-80.9	-177.2	-13.9	0	0	105.8	P33 S37	P33-Q35 VanDerWaalsContact C-N 3.33Å; P33-Q35 PolarHBondContact O-N 3.38Å; Q35-S37 VanDerWaalsContact C-N 3.26Å; Q35-S37 PolarHBondContact O-N 3.42Å
36	S	36.3	Very low	46.2	Very low	105 Å²	105	132.8 Å²	132.8	73%	0.734	74%	0.737	S	S	*	*			trans	-54.9	99.9	161.3	51.1	0	0	0	0	106.3	T34 Q38	T34-S36 VanDerWaalsContact C-N 3.28Å; T34-S36 PolarHBondContact O-N 2.78Å; S36-Q38 PolarHBondContact O-N 3.12Å
37	S	37.8	Very low	49.4	Very low	78 Å²	78	127.8 Å²	127.8	55%	0.545	70%	0.695	S	S	.	*			trans	-55.3	107.6	166.1	175.3	0	0	0	0	106.6	Q35 Y39	Q35-S37 VanDerWaalsContact C-N 3.26Å; Q35-S37 PolarHBondContact O-N 3.42Å; S37-Y39 PolarHBondContact O-N 3.42Å; S37-Y39 WeakPolarHBondContact OG-CD2 3.37Å; S37-Y39 WeakPolarHBondContact OG-CE2 3.33Å
38	Q	36.9	Very low	52.6	Low	184 Å²	184	123.6 Å²	123.6	86%	0.86	66%	0.661	S	S	*	*			trans	-66.8	73.8	159.7	-73.6	-179.3	-11.8	0	0	106.8	S36 G40	S36-Q38 PolarHBondContact O-N 3.12Å; Q38-G40 VanDerWaalsContact C-N 3.25Å; Q38-G40 PolarHBondContact O-N 2.8Å
39	Y	43.2	Very low	55.8	Low	206 Å²	206	114.4 Å²	114.4	81%	0.808	62%	0.621	S	S	*	*			trans	-63.5	102.6	152.3	-82.8	-76.7	0	0	0	104.5	S37 Q41	S37-Y39 PolarHBondContact O-N 3.42Å; S37-Y39 WeakPolarHBondContact OG-CD2 3.37Å; S37-Y39 WeakPolarHBondContact OG-CE2 3.33Å; Y39-Q41 PolarHBondContact O-N 2.77Å
40	G	43.1	Very low	59.2	Low	51 Å²	51	107.8 Å²	107.8	53%	0.526	58%	0.576	S	S	.	*			trans	-46.5	130.6	171.8	0	0	0	0	0	108.1	Q38 H42	Q38-G40 VanDerWaalsContact C-N 3.25Å; Q38-G40 PolarHBondContact O-N 2.8Å; G40-H42 PolarHBondContact O-N 2.87Å
41	Q	45.5	Very low	62.4	Low	201 Å²	201	103.6 Å²	103.6	94%	0.939	55%	0.546	S	S	*	.			trans	-60.3	88.6	169.1	-77.8	-176	-36.4	0	0	107.2	Y39 S43	Y39-Q41 PolarHBondContact O-N 2.77Å; Q41-S43 PolarHBondContact O-N 2.77Å
42	H	55.7	Low	65.4	Low	179 Å²	179	96.3 Å²	96.3	83%	0.829	51%	0.507	S	S	*	.			trans	-63.7	108.3	164.5	-75.6	-73.7	0	0	0	105.3	G40 V44	G40-H42 PolarHBondContact O-N 2.87Å; H42-V44 PolarHBondContact O-N 2.76Å
43	S	71.6	Confident	68.7	Low	104 Å²	104	87.5 Å²	87.5	73%	0.727	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-55.8	126	171.2	61.4	0	0	0	0	107.5	Q41 R45	Q41-S43 PolarHBondContact O-N 2.77Å; S43-R45 PolarHBondContact O-N 2.81Å
44	V	83.4	Confident	71.8	Confident	115 Å²	115	82.1 Å²	82.1	70%	0.697	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-54.4	125.3	176.6	-178.5	0	0	0	0	108.2	H42 R46 A227	H42-V44 PolarHBondContact O-N 2.76Å; V44-R46 PolarHBondContact O-N 3.37Å; V44-A227 HydrophobicContact CG1-CB 3.9Å
45	R	96	Very high	74.8	Confident	69 Å²	69	75.5 Å²	75.5	26%	0.26	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-66.4	133.5	-178.3	-59.1	-167.6	-64.1	174.2	3.9	109.2	S43 I226 G229 A231 E292	S43-R45 PolarHBondContact O-N 2.81Å; R45-I226 PolarHBondContact NE-O 3.24Å; R45-I226 PolarHBondContact NH2-O 3Å; R45-G229 VanDerWaalsContact NH2-N 3.16Å; R45-G229 PolarHBondContact NH2-O 3.38Å; R45-A231 PolarHBondContact NH2-O 2.91Å; R45-E292 HydrophobicContact CB-CG 4Å; R45-E292 HydrophobicContact CG-CG 4.46Å
46	R	98.1	Very high	77.9	Confident	102 Å²	102	66.7 Å²	66.7	39%	0.385	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-78.9	144.1	179.3	-68.8	172.9	66.1	-156.5	-4.5	109.6	V44 E292 L293 E306	V44-R46 PolarHBondContact O-N 3.37Å; R46-E292 WeakPolarHBondContact O-CA 3.39Å; R46-L293 HydrophobicContact CB-CB 3.8Å; R46-L293 HydrophobicContact CB-CD2 3.98Å; R46-L293 PolarHBondContact O-N 3.31Å; R46-E306 IonicContact CZ-OE1 3.88Å; R46-E306 IonicContact CZ-OE2 3.88Å; R46-E306 IonicContact NE-OE1 3.12Å; R46-E306 PolarHBondContact NE-OE1 3.03Å; R46-E306 IonicContact NE-OE2 2.74Å; R46-E306 VanDerWaalsContact NH2-CD 3.26Å; R46-E306 IonicContact NH2-OE1 2.84Å; R46-E306 PolarHBondContact NH2-OE1 3.37Å; R46-E306 IonicContact NH2-OE2 3.97Å; R46-E306 PolarHBondContact NH2-OE2 3.21Å
47	V	98.8	Very high	80.9	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.6	-173	-173.5	0	0	0	0	110.4	A223 I226 A227 L290 E291 E306 V307	V47-A223 HydrophobicContact CB-CB 4.46Å; V47-A223 HydrophobicContact CG1-CB 4.14Å; V47-A223 HydrophobicContact CG2-CB 4.48Å; V47-I226 HydrophobicContact CG1-CB 4.45Å; V47-I226 HydrophobicContact CG1-CD1 4.02Å; V47-I226 HydrophobicContact CG1-CG2 4.49Å; V47-I226 HydrophobicContact CG2-CB 3.93Å; V47-I226 HydrophobicContact CG2-CG2 3.8Å; V47-A227 HydrophobicContact CG2-CB 4.42Å; V47-L290 HydrophobicContact CG1-CB 3.95Å; V47-L290 HydrophobicContact CG1-CD1 4.16Å; V47-L290 HydrophobicContact CG1-CD2 4.38Å; V47-L290 HydrophobicContact CG1-CG 4.4Å; V47-E291 WeakPolarHBondContact CA-O 3.39Å; V47-E306 WeakPolarHBondContact O-CG 3.28Å; V47-V307 PolarHBondContact O-N 3.13Å
48	V	98.9	Very high	83.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.8	-177	-70.5	0	0	0	0	112.2	T50 L290 E291 L293 A296 I303 A305 E306 F464	V48-T50 HydrophobicContact CG2-CG2 3.92Å; V48-L290 CarbonylContact O-C 3.46Å; V48-L290 VanDerWaalsContact O-CA 3.3Å; V48-L290 WeakPolarHBondContact O-CA 3.4Å; V48-E291 HydrophobicContact CG2-CB 4.43Å; V48-E291 WeakPolarHBondContact CG2-O 3.35Å; V48-E291 PolarHBondContact N-O 2.84Å; V48-E291 PolarHBondContact O-N 2.77Å; V48-L293 HydrophobicContact CG1-CB 4.46Å; V48-L293 HydrophobicContact CG1-CD1 3.76Å; V48-L293 HydrophobicContact CG2-CD1 4.36Å; V48-A296 HydrophobicContact CG2-CB 3.67Å; V48-I303 HydrophobicContact CB-CG1 4.35Å; V48-I303 HydrophobicContact CB-CG2 3.83Å; V48-I303 HydrophobicContact CG1-CD1 4.37Å; V48-I303 HydrophobicContact CG1-CG2 3.88Å; V48-I303 HydrophobicContact CG2-CD1 4.36Å; V48-I303 HydrophobicContact CG2-CG1 4.23Å; V48-A305 WeakPolarHBondContact CA-O 3.41Å; V48-E306 HydrophobicContact CG1-CB 4.25Å; V48-E306 HydrophobicContact CG1-CG 4.2Å; V48-F464 HydrophobicContact CG1-CD2 4.29Å; V48-F464 HydrophobicContact CG1-CE2 4.37Å
49	I	98.9	Very high	86.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.2	172.2	-62	166	0	0	0	108.2	I52 V288 L289 L290 Y304 A305 V307 A404 L461	I49-I52 HydrophobicContact CG2-CD1 4.33Å; I49-I52 HydrophobicContact CG2-CG1 3.95Å; I49-V288 HydrophobicContact CG2-CB 4.15Å; I49-V288 HydrophobicContact CG2-CG1 4.38Å; I49-L289 WeakPolarHBondContact CA-O 3.34Å; I49-L290 HydrophobicContact CB-CD2 4.38Å; I49-L290 HydrophobicContact CD1-CD2 4.49Å; I49-L290 HydrophobicContact CG1-CD2 3.44Å; I49-L290 VanDerWaalsContact CG1-CD2 3.44Å; I49-Y304 HydrophobicContact CG2-CD2 4.32Å; I49-Y304 PolarHBondContact O-N 3Å; I49-A305 HydrophobicContact CD1-CB 4.37Å; I49-A305 PolarHBondContact N-O 2.86Å; I49-V307 HydrophobicContact CD1-CG2 4.25Å; I49-V307 HydrophobicContact CG1-CG2 4.13Å; I49-A404 HydrophobicContact CD1-CB 3.75Å; I49-L461 HydrophobicContact CD1-CD1 4.31Å; I49-L461 HydrophobicContact CD1-CD2 4.44Å
50	T	98.9	Very high	89.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-15.7	-176.2	55.8	0	0	0	0	114.3	V48 A136 L289 E291 A296 A301 R302 I303	V48-T50 HydrophobicContact CG2-CG2 3.92Å; T50-A136 WeakPolarHBondContact O-CA 3.44Å; T50-L289 PolarHBondContact N-O 2.86Å; T50-E291 WeakPolarHBondContact CB-OE2 3.4Å; T50-E291 HydrophobicContact CG2-CB 4.33Å; T50-E291 WeakPolarHBondContact CG2-OE2 3.44Å; T50-E291 PolarHBondContact OG1-OE2 3.12Å; T50-A296 HydrophobicContact CG2-CB 3.89Å; T50-A301 HydrophobicContact CG2-CB 3.96Å; T50-R302 VanDerWaalsContact CA-O 3.25Å; T50-R302 WeakPolarHBondContact CA-O 3.44Å; T50-R302 WeakPolarHBondContact CB-O 3.5Å; T50-R302 WeakPolarHBondContact CG2-O 3.22Å; T50-I303 HydrophobicContact CG2-CG1 4.19Å
51	G	98.9	Very high	92	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.8	174.8	0	0	0	0	0	111.7	A132 D135 V288 L289	G51-A132 WeakPolarHBondContact CA-O 3.21Å; G51-D135 WeakPolarHBondContact CA-OD2 3.3Å; G51-V288 CarbonylContact O-C 3.56Å; G51-V288 WeakPolarHBondContact O-CA 3.23Å; G51-L289 PolarHBondContact O-N 3.11Å
52	I	98.9	Very high	94.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.3	176.6	-58.4	176.9	0	0	0	108.6	I49 L54 T62 D135 V288 Y304 A401 A404 L405	I49-I52 HydrophobicContact CG2-CD1 4.33Å; I49-I52 HydrophobicContact CG2-CG1 3.95Å; I52-L54 HydrophobicContact CG2-CD1 4.38Å; I52-L54 HydrophobicContact CG2-CD2 3.83Å; I52-L54 HydrophobicContact CG2-CG 3.93Å; I52-T62 VanDerWaalsContact C-OG1 3.29Å; I52-T62 HydrophobicContact CB-CG2 3.9Å; I52-T62 HydrophobicContact CG2-CG2 3.66Å; I52-T62 PolarHBondContact O-OG1 2.96Å; I52-D135 PolarHBondContact N-OD2 3.27Å; I52-V288 HydrophobicContact CG1-CG1 4.15Å; I52-Y304 HydrophobicContact CD1-CD1 4.17Å; I52-Y304 HydrophobicContact CD1-CD2 3.94Å; I52-Y304 HydrophobicContact CD1-CE1 4.42Å; I52-Y304 HydrophobicContact CD1-CE2 4.17Å; I52-Y304 HydrophobicContact CD1-CG 3.9Å; I52-Y304 HydrophobicContact CG1-CD2 3.99Å; I52-Y304 HydrophobicContact CG1-CE2 4.02Å; I52-Y304 HydrophobicContact CG1-CG 4.46Å; I52-A401 HydrophobicContact CG2-CB 3.77Å; I52-A404 HydrophobicContact CD1-CB 4.25Å; I52-L405 HydrophobicContact CD1-CD2 4.12Å; I52-L405 HydrophobicContact CD1-CG 3.93Å
53	G	98.9	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.1	175.5	0	0	0	0	0	111.5	A128 V287	G53-A128 WeakPolarHBondContact CA-O 3.44Å; G53-V287 PolarHBondContact N-O 3Å; G53-V287 PolarHBondContact O-N 3.43Å
54	L	98.9	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.6	-171.6	-54.9	-176.3	0	0	0	111.8	I52 T60 G61 T62 V65 A286 L398 A401 F402	I52-L54 HydrophobicContact CG2-CD1 4.38Å; I52-L54 HydrophobicContact CG2-CD2 3.83Å; I52-L54 HydrophobicContact CG2-CG 3.93Å; L54-T60 WeakPolarHBondContact O-CA 3.41Å; L54-G61 PolarHBondContact O-N 2.98Å; L54-T62 HydrophobicContact CD1-CG2 4.34Å; L54-V65 HydrophobicContact CB-CG2 4.34Å; L54-V65 HydrophobicContact CD1-CB 4.03Å; L54-V65 HydrophobicContact CD1-CG1 3.7Å; L54-A286 HydrophobicContact CD2-CB 3.79Å; L54-L398 HydrophobicContact CD1-CD1 4.17Å; L54-L398 HydrophobicContact CD2-CD1 3.71Å; L54-L398 HydrophobicContact CG-CD1 4.41Å; L54-A401 HydrophobicContact CD2-CB 3.84Å; L54-F402 HydrophobicContact CD1-CD1 4.46Å; L54-F402 HydrophobicContact CD1-CE1 3.88Å
55	V	98.9	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	102.1	166.5	178.8	0	0	0	0	106.4	T60 V95 F104 M124 A128 L131 G284 A285	V55-T60 HydrophobicContact CG2-CG2 4.07Å; V55-V95 HydrophobicContact CG1-CG1 3.79Å; V55-V95 HydrophobicContact CG1-CG2 4.16Å; V55-F104 HydrophobicContact CB-CD2 4.4Å; V55-F104 HydrophobicContact CG1-CB 4.21Å; V55-F104 HydrophobicContact CG1-CD1 4.39Å; V55-F104 HydrophobicContact CG1-CD2 3.58Å; V55-F104 HydrophobicContact CG1-CE2 4.02Å; V55-F104 HydrophobicContact CG1-CG 3.8Å; V55-F104 HydrophobicContact CG2-CD2 3.84Å; V55-F104 HydrophobicContact CG2-CE2 3.86Å; V55-M124 HydrophobicContact CG1-CB 4.21Å; V55-M124 HydrophobicContact CG1-CG 4.02Å; V55-M124 HydrophobicContact CG1-SD 4.44Å; V55-A128 HydrophobicContact CG2-CB 4.13Å; V55-L131 HydrophobicContact CG2-CD1 4.41Å; V55-G284 CarbonylContact O-C 3.45Å; V55-G284 WeakPolarHBondContact O-CA 3.42Å; V55-A285 PolarHBondContact N-O 2.82Å; V55-A285 PolarHBondContact O-N 3.47Å; V55-A285 VanDerWaalsContact O-O 3.06Å
56	C	98.8	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	179.3	-173.2	74.2	0	0	0	0	111.5	L58 G59 V65 L391 L398	C56-L58 PolarHBondContact O-N 3.48Å; C56-G59 PolarHBondContact N-O 3.07Å; C56-G59 CarbonylContact O-C 3.53Å; C56-G59 WeakPolarHBondContact O-CA 3.44Å; C56-G59 PolarHBondContact O-N 2.92Å; C56-G59 VanDerWaalsContact O-O 3.06Å; C56-V65 VanDerWaalsContact SG-CG1 3.54Å; C56-L391 HydrophobicContact CB-CD2 4.25Å; C56-L398 HydrophobicContact CB-CD1 4.36Å; C56-L398 HydrophobicContact CB-CD2 3.98Å
57	P	98.8	Very high	98.8	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.026	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.9	-178.1	-29.1	42.5	0	0	0	114.5	G59 A93 V94 E283 T388 L391	P57-G59 PolarHBondContact O-N 2.97Å; P57-A93 HydrophobicContact CB-CB 3.74Å; P57-A93 VanDerWaalsContact CG-C 3.5Å; P57-A93 HydrophobicContact CG-CB 3.6Å; P57-A93 VanDerWaalsContact CG-O 3.26Å; P57-A93 WeakPolarHBondContact CG-O 3.49Å; P57-V94 WeakPolarHBondContact CA-O 3.36Å; P57-E283 VanDerWaalsContact CD-O 3.31Å; P57-E283 WeakPolarHBondContact CD-O 3.32Å; P57-E283 WeakPolarHBondContact CG-O 3.27Å; P57-T388 WeakPolarHBondContact CG-O 3.43Å; P57-L391 HydrophobicContact CG-CD1 4.4Å
58	L	98.8	Very high	98.8	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.026	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.5	170.4	-63.5	177.6	0	0	0	113	C56 V65 R68 L69 Q73 A387 T388	C56-L58 PolarHBondContact O-N 3.48Å; L58-V65 HydrophobicContact CB-CG1 4.15Å; L58-V65 HydrophobicContact CB-CG2 4.43Å; L58-V65 HydrophobicContact CD1-CG1 4.33Å; L58-R68 HydrophobicContact CB-CB 4.33Å; L58-R68 HydrophobicContact CD2-CB 4.44Å; L58-R68 WeakPolarHBondContact O-CD 3.41Å; L58-R68 PolarHBondContact O-NH1 2.72Å; L58-L69 HydrophobicContact CD1-CB 3.86Å; L58-L69 HydrophobicContact CD1-CD1 4.24Å; L58-Q73 HydrophobicContact CD2-CB 4.28Å; L58-Q73 WeakPolarHBondContact CD2-O 3.49Å; L58-A387 HydrophobicContact CD1-CB 4.14Å; L58-A387 HydrophobicContact CD2-CB 4.39Å; L58-T388 HydrophobicContact CD1-CG2 3.81Å; L58-T388 HydrophobicContact CG-CG2 4Å
59	G	98.6	Very high	98.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.1	-170.2	178	0	0	0	0	0	114.1	C56 P57 V65 G102	C56-G59 PolarHBondContact N-O 3.07Å; C56-G59 CarbonylContact O-C 3.53Å; C56-G59 WeakPolarHBondContact O-CA 3.44Å; C56-G59 PolarHBondContact O-N 2.92Å; C56-G59 VanDerWaalsContact O-O 3.06Å; P57-G59 PolarHBondContact O-N 2.97Å; G59-V65 VanDerWaalsContact O-CG2 3.3Å; G59-V65 WeakPolarHBondContact O-CG2 3.38Å; G59-G102 CarbonylContact C-O 3.38Å; G59-G102 WeakPolarHBondContact CA-O 3.24Å
60	T	98.8	Very high	98.8	Very high	19 Å²	19	20.7 Å²	20.7	12%	0.117	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.9	178.9	-59.8	0	0	0	0	111	L54 V55 G102 F104 F109 L131	L54-T60 WeakPolarHBondContact O-CA 3.41Å; V55-T60 HydrophobicContact CG2-CG2 4.07Å; T60-G102 PolarHBondContact N-O 3.48Å; T60-F104 HydrophobicContact CG2-CD2 4.27Å; T60-F104 WeakPolarHBondContact OG1-CA 3.43Å; T60-F104 WeakPolarHBondContact OG1-CB 3.26Å; T60-F104 PolarHBondContact OG1-N 3.48Å; T60-F109 HydrophobicContact CG2-CZ 4.46Å; T60-L131 HydrophobicContact CG2-CD1 3.7Å
61	G	98.5	Very high	98.8	Very high	17 Å²	17	24.2 Å²	24.2	18%	0.175	14%	0.14	C	C	.	.	S	Bend	trans	104.6	132.2	-179.6	0	0	0	0	0	113.4	L54 A63 L64 V65	L54-G61 PolarHBondContact O-N 2.98Å; G61-A63 PolarHBondContact O-N 3.15Å; G61-L64 PolarHBondContact O-N 2.88Å; G61-V65 WeakPolarHBondContact O-CB 3.33Å; G61-V65 VanDerWaalsContact O-CG2 3.28Å; G61-V65 WeakPolarHBondContact O-CG2 3.41Å; G61-V65 PolarHBondContact O-N 3.04Å; G61-V65 VanDerWaalsContact O-N 3.07Å
62	T	98.6	Very high	98.8	Very high	16 Å²	16	25.5 Å²	25.5	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-51	-167.6	-56.6	0	0	0	0	114	I52 L54 L64 V65 W66 L405	I52-T62 VanDerWaalsContact C-OG1 3.29Å; I52-T62 HydrophobicContact CB-CG2 3.9Å; I52-T62 HydrophobicContact CG2-CG2 3.66Å; I52-T62 PolarHBondContact O-OG1 2.96Å; L54-T62 HydrophobicContact CD1-CG2 4.34Å; T62-L64 PolarHBondContact O-N 2.95Å; T62-V65 PolarHBondContact O-N 3.29Å; T62-W66 WeakPolarHBondContact O-CB 3.29Å; T62-W66 PolarHBondContact O-N 3.45Å; T62-L405 HydrophobicContact CG2-CD1 3.97Å; T62-L405 HydrophobicContact CG2-CD2 4.19Å
63	A	98.6	Very high	98.7	Very high	81 Å²	81	29.7 Å²	29.7	67%	0.669	17%	0.173	S	C	*	.	H	α-helix	trans	-62.1	-44.1	-177.3	0	0	0	0	0	112.6	G61 W66 E67	G61-A63 PolarHBondContact O-N 3.15Å; A63-W66 PolarHBondContact O-N 3.36Å; A63-E67 WeakPolarHBondContact O-CB 3.18Å; A63-E67 PolarHBondContact O-N 3.28Å
64	L	98.7	Very high	98.7	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.157	19%	0.186	C	C	.	.	H	α-helix	trans	-64.8	-45.7	178.7	177.7	68.5	0	0	0	111.3	G61 T62 W66 E67 R68	G61-L64 PolarHBondContact O-N 2.88Å; T62-L64 PolarHBondContact O-N 2.95Å; L64-W66 VanDerWaalsContact C-N 3.32Å; L64-W66 PolarHBondContact O-N 3.33Å; L64-E67 PolarHBondContact O-N 3.41Å; L64-R68 HydrophobicContact CD1-CG 4.44Å; L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 VanDerWaalsContact O-CG 3.32Å; L64-R68 WeakPolarHBondContact O-CG 3.4Å; L64-R68 PolarHBondContact O-N 2.92Å
65	V	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-43.4	179.1	168.1	0	0	0	0	110.5	L54 C56 L58 G59 G61 T62 R68 L69 F402	L54-V65 HydrophobicContact CB-CG2 4.34Å; L54-V65 HydrophobicContact CD1-CB 4.03Å; L54-V65 HydrophobicContact CD1-CG1 3.7Å; C56-V65 VanDerWaalsContact SG-CG1 3.54Å; L58-V65 HydrophobicContact CB-CG1 4.15Å; L58-V65 HydrophobicContact CB-CG2 4.43Å; L58-V65 HydrophobicContact CD1-CG1 4.33Å; G59-V65 VanDerWaalsContact O-CG2 3.3Å; G59-V65 WeakPolarHBondContact O-CG2 3.38Å; G61-V65 WeakPolarHBondContact O-CB 3.33Å; G61-V65 VanDerWaalsContact O-CG2 3.28Å; G61-V65 WeakPolarHBondContact O-CG2 3.41Å; G61-V65 PolarHBondContact O-N 3.04Å; G61-V65 VanDerWaalsContact O-N 3.07Å; T62-V65 PolarHBondContact O-N 3.29Å; V65-R68 PolarHBondContact O-N 3.32Å; V65-L69 WeakPolarHBondContact O-CB 3.41Å; V65-L69 PolarHBondContact O-N 3.19Å; V65-F402 HydrophobicContact CG1-CE1 3.7Å; V65-F402 HydrophobicContact CG1-CZ 3.94Å
66	W	98.9	Very high	98.7	Very high	25 Å²	25	32.2 Å²	32.2	10%	0.095	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-46.6	176.6	-179.3	-112.1	0	0	0	112.4	T62 A63 L64 R68 L69 I70 F402 L405 A406 H409 V411	T62-W66 WeakPolarHBondContact O-CB 3.29Å; T62-W66 PolarHBondContact O-N 3.45Å; A63-W66 PolarHBondContact O-N 3.36Å; L64-W66 VanDerWaalsContact C-N 3.32Å; L64-W66 PolarHBondContact O-N 3.33Å; W66-R68 VanDerWaalsContact C-N 3.32Å; W66-R68 PolarHBondContact O-N 2.88Å; W66-L69 HydrophobicContact CE3-CD2 4.04Å; W66-L69 HydrophobicContact CZ3-CD2 4.02Å; W66-L69 PolarHBondContact O-N 3.47Å; W66-I70 HydrophobicContact CD2-CD1 4.5Å; W66-I70 HydrophobicContact CD2-CG1 3.94Å; W66-I70 HydrophobicContact CE3-CG1 4.36Å; W66-I70 HydrophobicContact CG-CG1 4.49Å; W66-I70 HydrophobicContact CH2-CD1 3.71Å; W66-I70 HydrophobicContact CH2-CG1 4.16Å; W66-I70 HydrophobicContact CZ2-CD1 3.68Å; W66-I70 HydrophobicContact CZ2-CG1 3.72Å; W66-I70 HydrophobicContact CZ3-CD1 4.14Å; W66-I70 HydrophobicContact CZ3-CG1 4.46Å; W66-I70 WeakPolarHBondContact O-CG1 3.32Å; W66-I70 PolarHBondContact O-N 2.77Å; W66-F402 HydrophobicContact CE3-CD1 4.48Å; W66-L405 HydrophobicContact CB-CD1 4.16Å; W66-L405 HydrophobicContact CD2-CB 3.88Å; W66-L405 HydrophobicContact CD2-CD1 4.1Å; W66-L405 HydrophobicContact CD2-CG 4.49Å; W66-L405 HydrophobicContact CE3-CB 3.56Å; W66-L405 HydrophobicContact CE3-CD1 3.74Å; W66-L405 HydrophobicContact CE3-CG 4.28Å; W66-L405 HydrophobicContact CG-CD1 4.3Å; W66-L405 HydrophobicContact CH2-CB 3.95Å; W66-L405 HydrophobicContact CZ2-CB 4.24Å; W66-L405 HydrophobicContact CZ3-CB 3.6Å; W66-L405 HydrophobicContact CZ3-CD1 4.48Å; W66-A406 HydrophobicContact CH2-CB 4.07Å; W66-H409 AromaticContact CD1-CD2 3.78Å; W66-H409 AromaticContact CD1-NE2 3.87Å; W66-H409 AromaticContact CE2-CD2 3.59Å; W66-H409 HydrophobicContact CZ2-CB 4.1Å; W66-H409 AromaticContact CZ2-CD2 3.99Å; W66-H409 AromaticContact NE1-CD2 3.2Å; W66-H409 PolarHBondContact NE1-CD2 2.83Å; W66-H409 AromaticContact NE1-CG 3.71Å; W66-H409 AromaticContact NE1-NE2 3.75Å; W66-V411 HydrophobicContact CZ2-CB 4.36Å
67	E	98.8	Very high	98.7	Very high	128 Å²	128	35.3 Å²	35.3	60%	0.598	21%	0.211	S	C	*	.	H	α-helix	trans	-56.8	-45.7	175.7	-178.3	-172.1	173.7	0	0	111.7	A63 L64 I70 S71	A63-E67 WeakPolarHBondContact O-CB 3.18Å; A63-E67 PolarHBondContact O-N 3.28Å; L64-E67 PolarHBondContact O-N 3.41Å; E67-I70 PolarHBondContact O-N 2.96Å; E67-S71 WeakPolarHBondContact O-CB 3.47Å; E67-S71 PolarHBondContact O-N 3.49Å; E67-S71 PolarHBondContact O-OG 2.94Å
68	R	98.8	Very high	98.6	Very high	65 Å²	65	38.2 Å²	38.2	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-39.7	178.3	-71.7	-178.8	165.6	169.7	-0.7	112.4	L58 L64 V65 W66 S71 G72 Q73	L58-R68 HydrophobicContact CB-CB 4.33Å; L58-R68 HydrophobicContact CD2-CB 4.44Å; L58-R68 WeakPolarHBondContact O-CD 3.41Å; L58-R68 PolarHBondContact O-NH1 2.72Å; L64-R68 HydrophobicContact CD1-CG 4.44Å; L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 VanDerWaalsContact O-CG 3.32Å; L64-R68 WeakPolarHBondContact O-CG 3.4Å; L64-R68 PolarHBondContact O-N 2.92Å; V65-R68 PolarHBondContact O-N 3.32Å; W66-R68 VanDerWaalsContact C-N 3.32Å; W66-R68 PolarHBondContact O-N 2.88Å; R68-S71 WeakPolarHBondContact CA-OG 3.11Å; R68-S71 PolarHBondContact O-OG 3.35Å; R68-S71 VanDerWaalsContact O-OG 3.11Å; R68-G72 PolarHBondContact O-N 3Å; R68-Q73 HydrophobicContact CB-CB 4.23Å; R68-Q73 HydrophobicContact CB-CG 4.45Å; R68-Q73 WeakPolarHBondContact O-CB 3.35Å; R68-Q73 PolarHBondContact O-N 3.38Å
69	L	98.9	Very high	98.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-49.8	176.2	178.2	65	0	0	0	111.4	L58 V65 W66 S71 G72 T384 A387 F402 P413	L58-L69 HydrophobicContact CD1-CB 3.86Å; L58-L69 HydrophobicContact CD1-CD1 4.24Å; V65-L69 WeakPolarHBondContact O-CB 3.41Å; V65-L69 PolarHBondContact O-N 3.19Å; W66-L69 HydrophobicContact CE3-CD2 4.04Å; W66-L69 HydrophobicContact CZ3-CD2 4.02Å; W66-L69 PolarHBondContact O-N 3.47Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 3.11Å; L69-G72 PolarHBondContact O-N 3.4Å; L69-T384 HydrophobicContact CD1-CG2 4Å; L69-T384 HydrophobicContact CD2-CG2 4.14Å; L69-A387 HydrophobicContact CD1-CB 3.69Å; L69-F402 HydrophobicContact CD1-CE2 4.48Å; L69-F402 HydrophobicContact CD2-CB 4.22Å; L69-F402 HydrophobicContact CD2-CD1 3.72Å; L69-F402 HydrophobicContact CD2-CD2 3.68Å; L69-F402 HydrophobicContact CD2-CE1 3.89Å; L69-F402 HydrophobicContact CD2-CE2 3.83Å; L69-F402 HydrophobicContact CD2-CG 3.61Å; L69-F402 HydrophobicContact CD2-CZ 3.94Å; L69-P413 HydrophobicContact CD1-CB 4.25Å; L69-P413 HydrophobicContact CD2-CB 3.73Å; L69-P413 HydrophobicContact CD2-CG 4.42Å; L69-P413 HydrophobicContact CG-CB 3.83Å
70	I	98.8	Very high	98.4	Very high	43 Å²	43	43.1 Å²	43.1	22%	0.221	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-31.7	-178.2	-65.5	-51.3	0	0	0	112	W66 E67 G72 V411 P413 A434	W66-I70 HydrophobicContact CD2-CD1 4.5Å; W66-I70 HydrophobicContact CD2-CG1 3.94Å; W66-I70 HydrophobicContact CE3-CG1 4.36Å; W66-I70 HydrophobicContact CG-CG1 4.49Å; W66-I70 HydrophobicContact CH2-CD1 3.71Å; W66-I70 HydrophobicContact CH2-CG1 4.16Å; W66-I70 HydrophobicContact CZ2-CD1 3.68Å; W66-I70 HydrophobicContact CZ2-CG1 3.72Å; W66-I70 HydrophobicContact CZ3-CD1 4.14Å; W66-I70 HydrophobicContact CZ3-CG1 4.46Å; W66-I70 WeakPolarHBondContact O-CG1 3.32Å; W66-I70 PolarHBondContact O-N 2.77Å; E67-I70 PolarHBondContact O-N 2.96Å; I70-G72 PolarHBondContact O-N 3Å; I70-V411 HydrophobicContact CD1-CG1 3.87Å; I70-V411 HydrophobicContact CG1-CG1 4.44Å; I70-V411 HydrophobicContact CG2-CG1 4.18Å; I70-P413 HydrophobicContact CD1-CB 4.06Å; I70-A434 HydrophobicContact CD1-CB 4.21Å; I70-A434 HydrophobicContact CG2-CB 3.78Å
71	S	98.6	Very high	98.1	Very high	74 Å²	74	46.7 Å²	46.7	52%	0.517	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	1.5	172.1	57.8	0	0	0	0	114.1	E67 R68 L69 Q73	E67-S71 WeakPolarHBondContact O-CB 3.47Å; E67-S71 PolarHBondContact O-N 3.49Å; E67-S71 PolarHBondContact O-OG 2.94Å; R68-S71 WeakPolarHBondContact CA-OG 3.11Å; R68-S71 PolarHBondContact O-OG 3.35Å; R68-S71 VanDerWaalsContact O-OG 3.11Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 3.11Å; S71-Q73 PolarHBondContact OG-NE2 3.2Å
72	G	98.3	Very high	97.9	Very high	27 Å²	27	52.6 Å²	52.6	28%	0.278	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	27.7	174	0	0	0	0	0	114.8	R68 L69 I70	R68-G72 PolarHBondContact O-N 3Å; L69-G72 PolarHBondContact O-N 3.4Å; I70-G72 PolarHBondContact O-N 3Å
73	Q	98.6	Very high	97.7	Very high	88 Å²	88	57.2 Å²	57.2	41%	0.411	33%	0.328	S	S	.	.			trans	-74.6	153.4	174.8	-61.7	-178.5	33.3	0	0	111.2	L58 R68 S71 A387	L58-Q73 HydrophobicContact CD2-CB 4.28Å; L58-Q73 WeakPolarHBondContact CD2-O 3.49Å; R68-Q73 HydrophobicContact CB-CB 4.23Å; R68-Q73 HydrophobicContact CB-CG 4.45Å; R68-Q73 WeakPolarHBondContact O-CB 3.35Å; R68-Q73 PolarHBondContact O-N 3.38Å; S71-Q73 PolarHBondContact OG-NE2 3.2Å; Q73-A387 VanDerWaalsContact O-CB 3.27Å; Q73-A387 WeakPolarHBondContact O-CB 3.37Å
74	S	98.6	Very high	97.6	Very high	39 Å²	39	53.9 Å²	53.9	27%	0.273	30%	0.298	S	S	.	.			trans	-122.9	136.4	174.2	-174.5	0	0	0	0	110.9	I76 G386 A387	S74-I76 VanDerWaalsContact C-N 3.34Å; S74-I76 PolarHBondContact OG-N 3.24Å; S74-G386 PolarHBondContact OG-O 3.44Å; S74-A387 WeakPolarHBondContact CA-O 3.25Å
75	G	98.4	Very high	97.4	Very high	9 Å²	9	60.6 Å²	60.6	9%	0.093	32%	0.322	C	S	.	.			trans	-92.3	10.6	173.3	0	0	0	0	0	113.6	A93 A387	G75-A93 WeakPolarHBondContact O-CA 3.42Å; G75-A387 PolarHBondContact N-O 2.98Å
76	I	98.8	Very high	97.2	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.026	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.8	178.3	-59.5	167.8	0	0	0	109.9	S74 V91 A92 A93 P265 S269 V280 G386	S74-I76 VanDerWaalsContact C-N 3.34Å; S74-I76 PolarHBondContact OG-N 3.24Å; I76-V91 HydrophobicContact CG2-CB 4.25Å; I76-A92 WeakPolarHBondContact CA-O 3.27Å; I76-A93 HydrophobicContact CG1-CB 4Å; I76-P265 HydrophobicContact CG2-CB 3.97Å; I76-P265 WeakPolarHBondContact CG2-O 3.39Å; I76-S269 VanDerWaalsContact CD1-CB 3.46Å; I76-V280 HydrophobicContact CD1-CB 4.19Å; I76-V280 HydrophobicContact CD1-CG1 4.21Å; I76-V280 HydrophobicContact CD1-CG2 4.2Å; I76-V280 HydrophobicContact CG1-CG1 4.04Å; I76-V280 HydrophobicContact CG2-CG1 3.77Å; I76-G386 WeakPolarHBondContact CD1-O 3.43Å
77	V	98.5	Very high	97.1	Very high	66 Å²	66	65.6 Å²	65.6	40%	0.4	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162.5	-176.5	-61.6	0	0	0	0	111.1	V91 A92 V94	V77-V91 VanDerWaalsContact O-CA 3.32Å; V77-V91 WeakPolarHBondContact O-CA 3.11Å; V77-A92 PolarHBondContact N-O 3.33Å; V77-A92 PolarHBondContact O-N 3.23Å; V77-V94 HydrophobicContact CG2-CB 4.29Å; V77-V94 HydrophobicContact CG2-CG2 3.96Å
78	A	98.2	Very high	97.1	Very high	65 Å²	65	63 Å²	63	54%	0.537	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.4	168.4	0	0	0	0	0	110.6	P265	A78-P265 HydrophobicContact CB-CG 3.89Å
79	L	97.4	Very high	97	Very high	24 Å²	24	59.9 Å²	59.9	13%	0.126	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-84.3	165.8	171.2	-68.6	173.1	0	0	0	111.1	Y84 K90 A92 I243 M248	L79-Y84 HydrophobicContact CB-CD2 3.68Å; L79-Y84 HydrophobicContact CB-CE2 4.05Å; L79-Y84 HydrophobicContact CB-CG 4.02Å; L79-Y84 HydrophobicContact CD1-CD1 3.84Å; L79-Y84 HydrophobicContact CD1-CD2 4.25Å; L79-Y84 HydrophobicContact CD1-CE1 3.89Å; L79-Y84 HydrophobicContact CD1-CE2 4.3Å; L79-Y84 HydrophobicContact CD1-CG 4.02Å; L79-Y84 HydrophobicContact CD2-CE2 4.19Å; L79-Y84 HydrophobicContact CG-CD2 4.42Å; L79-Y84 HydrophobicContact CG-CE2 4.43Å; L79-K90 WeakPolarHBondContact CB-O 3.2Å; L79-K90 PolarHBondContact N-O 2.84Å; L79-A92 HydrophobicContact CD1-CB 4.14Å; L79-A92 HydrophobicContact CD2-CB 3.69Å; L79-A92 HydrophobicContact CG-CB 4.02Å; L79-I243 HydrophobicContact CD2-CG2 4Å; L79-M248 HydrophobicContact CD1-CE 3.69Å
80	D	95.8	Very high	97	Very high	84 Å²	84	62.3 Å²	62.3	45%	0.449	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-57.9	121.7	175.4	-176.6	-60	0	0	0	110.7	E82 E83 Y84	D80-E82 VanDerWaalsContact C-N 3.3Å; D80-E82 PolarHBondContact O-N 3.48Å; D80-E82 WeakPolarHBondContact OD1-CA 3.48Å; D80-E82 WeakPolarHBondContact OD1-CB 3.41Å; D80-E82 PolarHBondContact OD1-N 3.44Å; D80-E83 HydrophobicContact CB-CB 4.02Å; D80-E83 PolarHBondContact OD1-N 3.47Å; D80-Y84 HydrophobicContact CB-CD2 4.37Å; D80-Y84 WeakPolarHBondContact O-CB 3.47Å; D80-Y84 WeakPolarHBondContact O-CD2 3.48Å; D80-Y84 PolarHBondContact O-N 3.44Å; D80-Y84 VanDerWaalsContact O-N 3.11Å
81	P	91.8	Very high	97	Very high	93 Å²	93	60.3 Å²	60.3	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.9	-173.8	26.4	-34.3	0	0	0	113.5	R85	P81-R85 VanDerWaalsContact O-CA 3.26Å; P81-R85 WeakPolarHBondContact O-CA 3.33Å; P81-R85 WeakPolarHBondContact O-CB 3.37Å; P81-R85 PolarHBondContact O-N 2.87Å
82	E	94.4	Very high	97	Very high	142 Å²	142	56.8 Å²	56.8	66%	0.664	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-47.4	-179.5	-69.2	-57.6	132.3	0	0	111.2	D80 Y84 R85	D80-E82 VanDerWaalsContact C-N 3.3Å; D80-E82 PolarHBondContact O-N 3.48Å; D80-E82 WeakPolarHBondContact OD1-CA 3.48Å; D80-E82 WeakPolarHBondContact OD1-CB 3.41Å; D80-E82 PolarHBondContact OD1-N 3.44Å; E82-Y84 VanDerWaalsContact C-N 3.31Å; E82-Y84 PolarHBondContact O-N 3.5Å; E82-R85 WeakPolarHBondContact O-CB 3.43Å; E82-R85 PolarHBondContact O-N 3.24Å
83	E	94.3	Very high	97	Very high	113 Å²	113	55.5 Å²	55.5	53%	0.528	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-40.9	179.2	-173.1	178.8	-158.5	0	0	111.1	D80 P245	D80-E83 HydrophobicContact CB-CB 4.02Å; D80-E83 PolarHBondContact OD1-N 3.47Å; E83-P245 HydrophobicContact CG-CG 3.64Å; E83-P245 VanDerWaalsContact OE1-CG 3.25Å; E83-P245 WeakPolarHBondContact OE1-CG 3.37Å
84	Y	95.8	Very high	97	Very high	10 Å²	10	53.5 Å²	53.5	4%	0.039	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8.6	-176.2	-66.1	-91.1	0	0	0	113.5	L79 D80 E82 T86 V87 K90 G244 P245 M248	L79-Y84 HydrophobicContact CB-CD2 3.68Å; L79-Y84 HydrophobicContact CB-CE2 4.05Å; L79-Y84 HydrophobicContact CB-CG 4.02Å; L79-Y84 HydrophobicContact CD1-CD1 3.84Å; L79-Y84 HydrophobicContact CD1-CD2 4.25Å; L79-Y84 HydrophobicContact CD1-CE1 3.89Å; L79-Y84 HydrophobicContact CD1-CE2 4.3Å; L79-Y84 HydrophobicContact CD1-CG 4.02Å; L79-Y84 HydrophobicContact CD2-CE2 4.19Å; L79-Y84 HydrophobicContact CG-CD2 4.42Å; L79-Y84 HydrophobicContact CG-CE2 4.43Å; D80-Y84 HydrophobicContact CB-CD2 4.37Å; D80-Y84 WeakPolarHBondContact O-CB 3.47Å; D80-Y84 WeakPolarHBondContact O-CD2 3.48Å; D80-Y84 PolarHBondContact O-N 3.44Å; D80-Y84 VanDerWaalsContact O-N 3.11Å; E82-Y84 VanDerWaalsContact C-N 3.31Å; E82-Y84 PolarHBondContact O-N 3.5Å; Y84-T86 PolarHBondContact O-N 2.68Å; Y84-V87 HydrophobicContact CD1-CG2 4.39Å; Y84-V87 PolarHBondContact O-N 3.02Å; Y84-K90 PolarHBondContact O-NZ 2.81Å; Y84-G244 WeakPolarHBondContact OH-CA 3.32Å; Y84-P245 HydrophobicContact CE1-CB 4.41Å; Y84-P245 HydrophobicContact CE1-CG 4.19Å; Y84-M248 HydrophobicContact CD1-CB 4.28Å; Y84-M248 HydrophobicContact CD1-CG 4.39Å; Y84-M248 HydrophobicContact CE1-CB 3.99Å; Y84-M248 HydrophobicContact CE1-CG 3.76Å
85	R	94.9	Very high	97	Very high	172 Å²	172	51.7 Å²	51.7	65%	0.649	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	-40.2	-170.9	-171.9	174.6	60.8	99.5	1.7	115.1	P81 E82 K90	P81-R85 VanDerWaalsContact O-CA 3.26Å; P81-R85 WeakPolarHBondContact O-CA 3.33Å; P81-R85 WeakPolarHBondContact O-CB 3.37Å; P81-R85 PolarHBondContact O-N 2.87Å; E82-R85 WeakPolarHBondContact O-CB 3.43Å; E82-R85 PolarHBondContact O-N 3.24Å; R85-K90 PolarHBondContact O-NZ 2.77Å
86	T	94.7	Very high	97	Very high	120 Å²	120	53.3 Å²	53.3	74%	0.736	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.5	-177.3	58.2	0	0	0	0	114.7	Y84	Y84-T86 PolarHBondContact O-N 2.68Å
87	V	97	Very high	96.9	Very high	9 Å²	9	58.2 Å²	58.2	6%	0.055	31%	0.308	C	S	.	.	S	Bend	trans	-86.5	130.8	178.7	-176.3	0	0	0	0	109.6	Y84 C89 K90 M248 A249 A252	Y84-V87 HydrophobicContact CD1-CG2 4.39Å; Y84-V87 PolarHBondContact O-N 3.02Å; V87-C89 PolarHBondContact O-N 3.11Å; V87-K90 WeakPolarHBondContact O-CE 3.08Å; V87-K90 PolarHBondContact O-NZ 3.12Å; V87-M248 HydrophobicContact CG1-CB 4.13Å; V87-A249 HydrophobicContact CG2-CB 4.26Å; V87-A252 HydrophobicContact CG1-CB 4.22Å
88	P	97.6	Very high	96.8	Very high	74 Å²	74	56.5 Å²	56.5	48%	0.481	30%	0.304	S	S	.	.	S	Bend	trans	-61.2	-38.3	-179.1	-27.8	35.3	0	0	0	115.2	A252 T259 N262	P88-A252 HydrophobicContact CG-CB 4.29Å; P88-T259 HydrophobicContact CB-CG2 3.83Å; P88-N262 PolarHBondContact O-ND2 2.84Å
89	C	98	Very high	96.6	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.			trans	-84.5	132.3	175.7	176.4	0	0	0	0	110.1	V87 V91 M248 L257 A258 T259	V87-C89 PolarHBondContact O-N 3.11Å; C89-V91 PolarHBondContact SG-O 2.87Å; C89-M248 HydrophobicContact CB-CE 4.05Å; C89-M248 VanDerWaalsContact SG-CE 3.51Å; C89-L257 HydrophobicContact CB-CB 3.77Å; C89-L257 HydrophobicContact CB-CD1 3.74Å; C89-L257 HydrophobicContact CB-CG 4.41Å; C89-A258 VanDerWaalsContact CB-O 3.32Å; C89-A258 WeakPolarHBondContact CB-O 3.09Å; C89-A258 PolarHBondContact SG-O 2.93Å; C89-T259 HydrophobicContact CB-CG2 4.5Å
90	K	98.1	Very high	96.6	Very high	52 Å²	52	61.8 Å²	61.8	23%	0.226	33%	0.331	C	S	.	.			trans	-120.6	12.4	-176.9	-51.7	-62.6	-172.7	-175.8	0	113.2	L79 Y84 R85 V87 N262	L79-K90 WeakPolarHBondContact CB-O 3.2Å; L79-K90 PolarHBondContact N-O 2.84Å; Y84-K90 PolarHBondContact O-NZ 2.81Å; R85-K90 PolarHBondContact O-NZ 2.77Å; V87-K90 WeakPolarHBondContact O-CE 3.08Å; V87-K90 PolarHBondContact O-NZ 3.12Å; K90-N262 HydrophobicContact CB-CB 3.85Å; K90-N262 WeakPolarHBondContact CB-OD1 3.12Å; K90-N262 HydrophobicContact CG-CB 3.92Å; K90-N262 VanDerWaalsContact CG-CG 3.45Å; K90-N262 WeakPolarHBondContact CG-ND2 3.48Å; K90-N262 PolarHBondContact N-OD1 2.74Å
91	V	98.6	Very high	96.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.5	-173.7	-60.8	0	0	0	0	110.5	I76 V77 C89 P265 A268 V280	I76-V91 HydrophobicContact CG2-CB 4.25Å; V77-V91 VanDerWaalsContact O-CA 3.32Å; V77-V91 WeakPolarHBondContact O-CA 3.11Å; C89-V91 PolarHBondContact SG-O 2.87Å; V91-P265 HydrophobicContact CB-CB 4.23Å; V91-P265 HydrophobicContact CG1-CB 3.64Å; V91-P265 HydrophobicContact CG1-CG 3.8Å; V91-A268 HydrophobicContact CG2-CB 3.83Å; V91-V280 HydrophobicContact CG2-CG1 4.27Å; V91-V280 HydrophobicContact CG2-CG2 4.06Å
92	A	98.7	Very high	96.6	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	164.8	175	0	0	0	0	0	110.3	I76 V77 L79 V94 I243 M281	I76-A92 WeakPolarHBondContact CA-O 3.27Å; V77-A92 PolarHBondContact N-O 3.33Å; V77-A92 PolarHBondContact O-N 3.23Å; L79-A92 HydrophobicContact CD1-CB 4.14Å; L79-A92 HydrophobicContact CD2-CB 3.69Å; L79-A92 HydrophobicContact CG-CB 4.02Å; A92-V94 HydrophobicContact CB-CG2 4.31Å; A92-I243 HydrophobicContact CB-CD1 3.93Å; A92-I243 HydrophobicContact CB-CG1 4.4Å; A92-I243 HydrophobicContact CB-CG2 3.95Å; A92-M281 CarbonylContact C-O 3.59Å; A92-M281 VanDerWaalsContact CA-O 3.31Å; A92-M281 WeakPolarHBondContact CA-O 3.33Å; A92-M281 WeakPolarHBondContact CB-O 3.31Å
93	A	98.7	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	104.5	173.1	0	0	0	0	0	109.8	P57 G75 I76 I243 M281 G282 E283 T388	P57-A93 HydrophobicContact CB-CB 3.74Å; P57-A93 VanDerWaalsContact CG-C 3.5Å; P57-A93 HydrophobicContact CG-CB 3.6Å; P57-A93 VanDerWaalsContact CG-O 3.26Å; P57-A93 WeakPolarHBondContact CG-O 3.49Å; G75-A93 WeakPolarHBondContact O-CA 3.42Å; I76-A93 HydrophobicContact CG1-CB 4Å; A93-I243 WeakPolarHBondContact O-CD1 3.46Å; A93-M281 PolarHBondContact N-O 3.2Å; A93-G282 VanDerWaalsContact O-CA 3.23Å; A93-G282 WeakPolarHBondContact O-CA 3.24Å; A93-E283 PolarHBondContact O-N 2.99Å; A93-E283 VanDerWaalsContact O-N 3.08Å; A93-T388 WeakPolarHBondContact CB-O 3.24Å
94	V	98.3	Very high	97	Very high	47 Å²	47	53.9 Å²	53.9	29%	0.285	28%	0.283	S	S	.	.			trans	-104.5	137.6	-169.5	-176.7	0	0	0	0	109.8	P57 V77 A92 P96 I243	P57-V94 WeakPolarHBondContact CA-O 3.36Å; V77-V94 HydrophobicContact CG2-CB 4.29Å; V77-V94 HydrophobicContact CG2-CG2 3.96Å; A92-V94 HydrophobicContact CB-CG2 4.31Å; V94-P96 WeakPolarHBondContact O-CD 3.24Å; V94-I243 HydrophobicContact CG2-CD1 3.96Å
95	V	98.7	Very high	97.1	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.302	C	S	.	.			trans	-63	124.9	172.6	170.5	0	0	0	0	108.8	V55 R97 F104 M124 E283	V55-V95 HydrophobicContact CG1-CG1 3.79Å; V55-V95 HydrophobicContact CG1-CG2 4.16Å; V95-R97 WeakPolarHBondContact O-CG 3.34Å; V95-R97 PolarHBondContact O-N 3.28Å; V95-F104 HydrophobicContact CG1-CB 3.57Å; V95-F104 HydrophobicContact CG1-CG 4.28Å; V95-M124 HydrophobicContact CB-CE 4.17Å; V95-M124 HydrophobicContact CG2-CE 4.05Å; V95-M124 HydrophobicContact CG2-SD 4.15Å; V95-E283 HydrophobicContact CB-CG 4.42Å; V95-E283 HydrophobicContact CG2-CG 4.01Å; V95-E283 WeakPolarHBondContact CG2-O 3.31Å
96	P	98.3	Very high	97.2	Very high	43 Å²	43	53.5 Å²	53.5	28%	0.279	28%	0.284	S	S	.	.			trans	-62.1	126	174.2	-22.1	33.3	0	0	0	110.4	V94 Q103 F104	V94-P96 WeakPolarHBondContact O-CD 3.24Å; P96-Q103 HydrophobicContact CB-CG 4.1Å; P96-Q103 CarbonylContact O-C 3.55Å; P96-Q103 WeakPolarHBondContact O-CA 3.25Å; P96-F104 PolarHBondContact O-N 3.5Å
97	R	97.7	Very high	97.3	Very high	108 Å²	108	52.8 Å²	52.8	41%	0.408	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-113.1	143.7	-177.7	-61.9	175.2	-169.1	-103	4.1	111.1	V95 F104 E106 E283	V95-R97 WeakPolarHBondContact O-CG 3.34Å; V95-R97 PolarHBondContact O-N 3.28Å; R97-F104 WeakPolarHBondContact CA-O 2.96Å; R97-E106 IonicContact NH1-OE1 3.35Å; R97-E283 IonicContact CZ-OE1 2.83Å; R97-E283 IonicContact NE-OE1 2.97Å; R97-E283 IonicContact NH2-OE1 3.22Å; R97-E283 PolarHBondContact NH2-OE1 2.81Å; R97-E283 IonicContact NH2-OE2 2.85Å; R97-E283 PolarHBondContact NH2-OE2 3.27Å
98	G	96.6	Very high	97.2	Very high	30 Å²	30	56.6 Å²	56.6	31%	0.309	30%	0.295	S	S	.	.	S	Bend	trans	142.7	-168.4	179.5	0	0	0	0	0	112.3	F104 R105	G98-F104 PolarHBondContact N-O 3.1Å; G98-F104 VanDerWaalsContact N-O 3.11Å; G98-R105 WeakPolarHBondContact O-CB 3.49Å
99	S	94.3	Very high	97.2	Very high	97 Å²	97	54 Å²	54	68%	0.678	28%	0.276	S	S	*	.	S	Bend	trans	-99.8	-4.2	-175.3	52.2	0	0	0	0	114.4
100	D	96.3	Very high	97.1	Very high	103 Å²	103	54.2 Å²	54.2	55%	0.551	28%	0.279	S	S	*	.	S	Bend	trans	-76.4	162.2	-178	-55.8	-37.6	0	0	0	111.3	G102 Q103	D100-G102 PolarHBondContact O-N 2.86Å; D100-G102 VanDerWaalsContact O-N 3.15Å; D100-Q103 HydrophobicContact CB-CG 4.28Å; D100-Q103 WeakPolarHBondContact O-CB 3.28Å; D100-Q103 PolarHBondContact O-N 3.03Å; D100-Q103 PolarHBondContact OD2-NE2 3.33Å; D100-Q103 PolarHBondContact OD2-OE1 3.25Å
101	K	93.4	Very high	97.1	Very high	190 Å²	190	55.5 Å²	55.5	83%	0.826	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	123.5	178.6	-174.2	-175.9	178.1	-173.7	0	110.5	Q103	K101-Q103 VanDerWaalsContact C-N 3.33Å
102	G	94.9	Very high	96.9	Very high	11 Å²	11	65.1 Å²	65.1	11%	0.113	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	2.5	178.2	0	0	0	0	0	115.2	G59 T60 D100	G59-G102 CarbonylContact C-O 3.38Å; G59-G102 WeakPolarHBondContact CA-O 3.24Å; T60-G102 PolarHBondContact N-O 3.48Å; D100-G102 PolarHBondContact O-N 2.86Å; D100-G102 VanDerWaalsContact O-N 3.15Å
103	Q	98.3	Very high	96.6	Very high	61 Å²	61	68.6 Å²	68.6	29%	0.285	36%	0.356	S	S	.	.			trans	-91	149.6	168.1	-67.6	171.1	-7.8	0	0	110.5	P96 D100 K101	P96-Q103 HydrophobicContact CB-CG 4.1Å; P96-Q103 CarbonylContact O-C 3.55Å; P96-Q103 WeakPolarHBondContact O-CA 3.25Å; D100-Q103 HydrophobicContact CB-CG 4.28Å; D100-Q103 WeakPolarHBondContact O-CB 3.28Å; D100-Q103 PolarHBondContact O-N 3.03Å; D100-Q103 PolarHBondContact OD2-NE2 3.33Å; D100-Q103 PolarHBondContact OD2-OE1 3.25Å; K101-Q103 VanDerWaalsContact C-N 3.33Å
104	F	98.5	Very high	96.4	Very high	4 Å²	4	71.3 Å²	71.3	2%	0.018	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-84.1	128.2	177.3	-172.6	-114.8	0	0	0	110.8	V55 T60 V95 P96 R97 G98 E106 F109 M124	V55-F104 HydrophobicContact CB-CD2 4.4Å; V55-F104 HydrophobicContact CG1-CB 4.21Å; V55-F104 HydrophobicContact CG1-CD1 4.39Å; V55-F104 HydrophobicContact CG1-CD2 3.58Å; V55-F104 HydrophobicContact CG1-CE2 4.02Å; V55-F104 HydrophobicContact CG1-CG 3.8Å; V55-F104 HydrophobicContact CG2-CD2 3.84Å; V55-F104 HydrophobicContact CG2-CE2 3.86Å; T60-F104 HydrophobicContact CG2-CD2 4.27Å; T60-F104 WeakPolarHBondContact OG1-CA 3.43Å; T60-F104 WeakPolarHBondContact OG1-CB 3.26Å; T60-F104 PolarHBondContact OG1-N 3.48Å; V95-F104 HydrophobicContact CG1-CB 3.57Å; V95-F104 HydrophobicContact CG1-CG 4.28Å; P96-F104 PolarHBondContact O-N 3.5Å; R97-F104 WeakPolarHBondContact CA-O 2.96Å; G98-F104 PolarHBondContact N-O 3.1Å; G98-F104 VanDerWaalsContact N-O 3.11Å; F104-E106 HydrophobicContact CD1-CG 4.25Å; F104-E106 HydrophobicContact CE1-CG 3.53Å; F104-E106 HydrophobicContact CZ-CG 4.2Å; F104-F109 HydrophobicContact CD2-CD2 4.38Å; F104-F109 AromaticContact CD2-CE2 3.76Å; F104-F109 HydrophobicContact CD2-CE2 3.76Å; F104-F109 AromaticContact CE2-CD2 3.61Å; F104-F109 HydrophobicContact CE2-CD2 3.61Å; F104-F109 AromaticContact CE2-CE2 3.38Å; F104-F109 HydrophobicContact CE2-CE2 3.38Å; F104-F109 HydrophobicContact CE2-CZ 4.35Å; F104-F109 HydrophobicContact CZ-CD2 4.12Å; F104-F109 HydrophobicContact CZ-CE2 4.31Å; F104-M124 HydrophobicContact CD1-CG 4.38Å; F104-M124 HydrophobicContact CE1-CG 3.89Å; F104-M124 HydrophobicContact CZ-CG 4.19Å
105	R	97.4	Very high	96.3	Very high	118 Å²	118	70.1 Å²	70.1	45%	0.445	36%	0.361	S	S	.	.			trans	-129.2	114.7	172.3	-173.4	176.5	178.3	-166.6	0.6	110.1	G98 E107 T108 F109	G98-R105 WeakPolarHBondContact O-CB 3.49Å; R105-E107 VanDerWaalsContact C-N 3.3Å; R105-E107 WeakPolarHBondContact CG-OE2 3.4Å; R105-E107 IonicContact NE-OE2 3.3Å; R105-E107 PolarHBondContact NE-OE2 3.29Å; R105-E107 PolarHBondContact O-N 2.74Å; R105-T108 WeakPolarHBondContact O-CB 3.3Å; R105-T108 PolarHBondContact O-N 3.39Å; R105-T108 VanDerWaalsContact O-N 3.16Å; R105-F109 VanDerWaalsContact O-CD2 3.27Å; R105-F109 WeakPolarHBondContact O-CD2 3.35Å; R105-F109 WeakPolarHBondContact O-CE2 3.47Å
106	E	96.6	Very high	96	Very high	55 Å²	55	74.4 Å²	74.4	26%	0.257	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-59.4	-39.6	-177.1	-69.5	176.9	170	0	0	112.5	R97 F104 T108 F109 A110 L115 A123	R97-E106 IonicContact NH1-OE1 3.35Å; F104-E106 HydrophobicContact CD1-CG 4.25Å; F104-E106 HydrophobicContact CE1-CG 3.53Å; F104-E106 HydrophobicContact CZ-CG 4.2Å; E106-T108 PolarHBondContact O-N 2.94Å; E106-T108 VanDerWaalsContact O-N 3.13Å; E106-F109 PolarHBondContact O-N 3.36Å; E106-A110 PolarHBondContact O-N 2.85Å; E106-L115 HydrophobicContact CB-CD1 3.72Å; E106-L115 HydrophobicContact CB-CD2 3.82Å; E106-L115 HydrophobicContact CB-CG 4.44Å; E106-L115 HydrophobicContact CG-CD2 4.39Å; E106-A123 HydrophobicContact CG-CB 4.14Å
107	E	96.4	Very high	95.8	Very high	106 Å²	106	73.2 Å²	73.2	50%	0.495	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-69.2	-10.7	-177.8	-55.3	88.9	170	0	0	114.1	R105 F109 A110 L115	R105-E107 VanDerWaalsContact C-N 3.3Å; R105-E107 WeakPolarHBondContact CG-OE2 3.4Å; R105-E107 IonicContact NE-OE2 3.3Å; R105-E107 PolarHBondContact NE-OE2 3.29Å; R105-E107 PolarHBondContact O-N 2.74Å; E107-F109 VanDerWaalsContact C-N 3.28Å; E107-A110 WeakPolarHBondContact CA-O 3.47Å; E107-L115 HydrophobicContact CG-CD1 4.27Å
108	T	96.3	Very high	95.8	Very high	88 Å²	88	68.4 Å²	68.4	54%	0.54	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-72.1	-26	170.5	-59.2	0	0	0	0	111.6	R105 E106	R105-T108 WeakPolarHBondContact O-CB 3.3Å; R105-T108 PolarHBondContact O-N 3.39Å; R105-T108 VanDerWaalsContact O-N 3.16Å; E106-T108 PolarHBondContact O-N 2.94Å; E106-T108 VanDerWaalsContact O-N 3.13Å
109	F	96.9	Very high	95.8	Very high	19 Å²	19	67.3 Å²	67.3	8%	0.083	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-26.8	-171.9	-54.7	-73.5	0	0	0	113.3	T60 F104 R105 E106 E107 Q130 L131 K198	T60-F109 HydrophobicContact CG2-CZ 4.46Å; F104-F109 HydrophobicContact CD2-CD2 4.38Å; F104-F109 AromaticContact CD2-CE2 3.76Å; F104-F109 HydrophobicContact CD2-CE2 3.76Å; F104-F109 AromaticContact CE2-CD2 3.61Å; F104-F109 HydrophobicContact CE2-CD2 3.61Å; F104-F109 AromaticContact CE2-CE2 3.38Å; F104-F109 HydrophobicContact CE2-CE2 3.38Å; F104-F109 HydrophobicContact CE2-CZ 4.35Å; F104-F109 HydrophobicContact CZ-CD2 4.12Å; F104-F109 HydrophobicContact CZ-CE2 4.31Å; R105-F109 VanDerWaalsContact O-CD2 3.27Å; R105-F109 WeakPolarHBondContact O-CD2 3.35Å; R105-F109 WeakPolarHBondContact O-CE2 3.47Å; E106-F109 PolarHBondContact O-N 3.36Å; E107-F109 VanDerWaalsContact C-N 3.28Å; F109-Q130 HydrophobicContact CD1-CB 4.18Å; F109-Q130 HydrophobicContact CD1-CG 4.35Å; F109-L131 HydrophobicContact CE1-CD2 4.44Å; F109-L131 HydrophobicContact CE1-CG 4.21Å; F109-L131 HydrophobicContact CZ-CD1 4.46Å; F109-K198 WeakPolarHBondContact O-CE 3.44Å
110	A	96.8	Very high	95.9	Very high	6 Å²	6	64.7 Å²	64.7	5%	0.05	33%	0.327	C	S	.	.	S	Bend	trans	-143.2	149.2	-179	0	0	0	0	0	112.4	E106 E107 E114 L115 M118 L126	E106-A110 PolarHBondContact O-N 2.85Å; E107-A110 WeakPolarHBondContact CA-O 3.47Å; A110-E114 HydrophobicContact CB-CB 4.06Å; A110-L115 HydrophobicContact CB-CD2 3.78Å; A110-L115 HydrophobicContact CB-CG 3.85Å; A110-M118 HydrophobicContact CB-CE 4.47Å; A110-L126 HydrophobicContact CB-CD2 3.93Å
111	T	97.1	Very high	96	Very high	78 Å²	78	59.9 Å²	59.9	48%	0.479	30%	0.301	S	S	.	.			trans	-67.4	156.3	170.6	64.9	0	0	0	0	110.4	A113 E114 L115	T111-A113 PolarHBondContact O-N 2.97Å; T111-A113 VanDerWaalsContact O-N 3.14Å; T111-E114 WeakPolarHBondContact CB-OE2 3.15Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.45Å; T111-E114 PolarHBondContact N-OE2 2.92Å; T111-E114 WeakPolarHBondContact O-CB 3.43Å; T111-E114 PolarHBondContact O-N 3.02Å; T111-E114 WeakPolarHBondContact OG1-CG 3.27Å; T111-E114 PolarHBondContact OG1-N 2.92Å; T111-E114 PolarHBondContact OG1-OE2 3.27Å; T111-L115 WeakPolarHBondContact O-CG 3.39Å; T111-L115 PolarHBondContact O-N 3.41Å
112	R	94.8	Very high	96.3	Very high	202 Å²	202	50.9 Å²	50.9	76%	0.762	26%	0.262	S	S	*	.	H	α-helix	trans	-57.6	-31.5	176.5	-159.7	171.1	-172.5	168.6	3.3	113.2	N116	R112-N116 PolarHBondContact O-N 3.08Å; R112-N116 PolarHBondContact O-ND2 3.44Å; R112-N116 PolarHBondContact O-OD1 3.36Å
113	A	92.4	Very high	96.4	Very high	74 Å²	74	50.6 Å²	50.6	61%	0.612	26%	0.259	S	S	*	.	H	α-helix	trans	-68.1	-43.2	176.2	0	0	0	0	0	111.9	T111	T111-A113 PolarHBondContact O-N 2.97Å; T111-A113 VanDerWaalsContact O-N 3.14Å
114	E	95	Very high	96.5	Very high	56 Å²	56	47.7 Å²	47.7	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-47.3	174.5	-72.2	164.8	127.1	0	0	110.8	A110 T111 N116 S117 M118 K198	A110-E114 HydrophobicContact CB-CB 4.06Å; T111-E114 WeakPolarHBondContact CB-OE2 3.15Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.45Å; T111-E114 PolarHBondContact N-OE2 2.92Å; T111-E114 WeakPolarHBondContact O-CB 3.43Å; T111-E114 PolarHBondContact O-N 3.02Å; T111-E114 WeakPolarHBondContact OG1-CG 3.27Å; T111-E114 PolarHBondContact OG1-N 2.92Å; T111-E114 PolarHBondContact OG1-OE2 3.27Å; E114-N116 VanDerWaalsContact C-N 3.26Å; E114-N116 PolarHBondContact O-N 3.37Å; E114-S117 PolarHBondContact O-N 3.24Å; E114-S117 PolarHBondContact O-OG 3.11Å; E114-M118 HydrophobicContact CB-CE 3.86Å; E114-K198 IonicContact OE1-NZ 2.77Å; E114-K198 PolarHBondContact OE1-NZ 2.97Å; E114-K198 IonicContact OE2-NZ 3Å; E114-K198 PolarHBondContact OE2-NZ 2.92Å; E114-K198 VanDerWaalsContact OE2-NZ 3.12Å
115	L	95.4	Very high	96.5	Very high	22 Å²	22	47.5 Å²	47.5	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-34.6	-178.6	-69.9	172.2	0	0	0	113.3	E106 E107 A110 T111 S117 M118 A123	E106-L115 HydrophobicContact CB-CD1 3.72Å; E106-L115 HydrophobicContact CB-CD2 3.82Å; E106-L115 HydrophobicContact CB-CG 4.44Å; E106-L115 HydrophobicContact CG-CD2 4.39Å; E107-L115 HydrophobicContact CG-CD1 4.27Å; A110-L115 HydrophobicContact CB-CD2 3.78Å; A110-L115 HydrophobicContact CB-CG 3.85Å; T111-L115 WeakPolarHBondContact O-CG 3.39Å; T111-L115 PolarHBondContact O-N 3.41Å; L115-S117 PolarHBondContact O-N 3.07Å; L115-M118 HydrophobicContact CD2-SD 4.21Å; L115-M118 PolarHBondContact O-N 2.69Å; L115-A123 HydrophobicContact CD2-CB 3.96Å
116	N	92.9	Very high	96.5	Very high	92 Å²	92	42 Å²	42	49%	0.492	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19	176.6	-72.7	-24.8	0	0	0	113.8	R112 E114 R185	R112-N116 PolarHBondContact O-N 3.08Å; R112-N116 PolarHBondContact O-ND2 3.44Å; R112-N116 PolarHBondContact O-OD1 3.36Å; E114-N116 VanDerWaalsContact C-N 3.26Å; E114-N116 PolarHBondContact O-N 3.37Å; N116-R185 VanDerWaalsContact O-CD 3.28Å; N116-R185 WeakPolarHBondContact O-CD 3.44Å; N116-R185 PolarHBondContact O-NE 2.94Å; N116-R185 PolarHBondContact O-NH1 3.41Å
117	S	93.8	Very high	96.6	Very high	17 Å²	17	39.3 Å²	39.3	12%	0.119	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.4	178.4	70.9	0	0	0	0	114	E114 L115 R185 H194	E114-S117 PolarHBondContact O-N 3.24Å; E114-S117 PolarHBondContact O-OG 3.11Å; L115-S117 PolarHBondContact O-N 3.07Å; S117-R185 WeakPolarHBondContact O-CG 3.3Å; S117-H194 PolarHBondContact OG-CE1 3.19Å
118	M	97.1	Very high	96.8	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.039	19%	0.188	C	C	.	.	S	Bend	trans	-111.5	154.1	-176.2	-64.2	174	-175.2	0	0	111.9	A110 E114 L115 T122 L126 R185 H194	A110-M118 HydrophobicContact CB-CE 4.47Å; E114-M118 HydrophobicContact CB-CE 3.86Å; L115-M118 HydrophobicContact CD2-SD 4.21Å; L115-M118 PolarHBondContact O-N 2.69Å; M118-T122 HydrophobicContact CB-CG2 3.86Å; M118-T122 HydrophobicContact CG-CG2 3.72Å; M118-T122 HydrophobicContact SD-CG2 4.31Å; M118-L126 HydrophobicContact CE-CD2 3.8Å; M118-L126 HydrophobicContact SD-CD2 4.23Å; M118-R185 PolarHBondContact O-NE 2.93Å; M118-H194 HydrophobicContact CE-CB 4.15Å; M118-H194 VanDerWaalsContact CE-ND1 3.29Å; M118-H194 WeakPolarHBondContact CE-ND1 3.44Å
119	S	97.1	Very high	96.9	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.042	16%	0.162	C	C	.	.			trans	-81	162.2	158.5	71.6	0	0	0	0	110.2	A121 T122 A123 R185	S119-A121 PolarHBondContact O-N 2.99Å; S119-T122 WeakPolarHBondContact O-CB 3.41Å; S119-T122 PolarHBondContact O-N 3.37Å; S119-T122 VanDerWaalsContact O-N 3.09Å; S119-T122 WeakPolarHBondContact OG-CB 3.49Å; S119-T122 PolarHBondContact OG-N 3.45Å; S119-T122 PolarHBondContact OG-OG1 2.77Å; S119-A123 PolarHBondContact O-N 2.86Å; S119-R185 WeakPolarHBondContact CB-O 3.33Å
120	P	97	Very high	97	Very high	43 Å²	43	31.1 Å²	31.1	28%	0.279	17%	0.167	S	C	.	.	H	α-helix	trans	-55	-39.9	172	-27.5	36.5	0	0	0	113	T122 A123 M124	P120-T122 PolarHBondContact O-N 2.87Å; P120-A123 PolarHBondContact O-N 3.41Å; P120-M124 WeakPolarHBondContact O-CG 3.33Å; P120-M124 PolarHBondContact O-N 2.89Å
121	A	98.3	Very high	97.1	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-42	176	0	0	0	0	0	111.7	S119 A123 M124 A125 M155 T239	S119-A121 PolarHBondContact O-N 2.99Å; A121-A123 VanDerWaalsContact C-N 3.35Å; A121-A123 PolarHBondContact O-N 3.05Å; A121-M124 PolarHBondContact O-N 2.93Å; A121-A125 WeakPolarHBondContact O-CB 3.34Å; A121-A125 PolarHBondContact O-N 2.86Å; A121-M155 HydrophobicContact CB-SD 3.54Å; A121-M155 VanDerWaalsContact CB-SD 3.54Å; A121-T239 HydrophobicContact CB-CG2 4.15Å; A121-T239 PolarHBondContact O-OG1 2.7Å
122	T	98.6	Very high	97.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-61.7	-41.8	174.4	-57.9	0	0	0	0	111.7	M118 S119 P120 A125 L126 H194	M118-T122 HydrophobicContact CB-CG2 3.86Å; M118-T122 HydrophobicContact CG-CG2 3.72Å; M118-T122 HydrophobicContact SD-CG2 4.31Å; S119-T122 WeakPolarHBondContact O-CB 3.41Å; S119-T122 PolarHBondContact O-N 3.37Å; S119-T122 VanDerWaalsContact O-N 3.09Å; S119-T122 WeakPolarHBondContact OG-CB 3.49Å; S119-T122 PolarHBondContact OG-N 3.45Å; S119-T122 PolarHBondContact OG-OG1 2.77Å; P120-T122 PolarHBondContact O-N 2.87Å; T122-A125 PolarHBondContact O-N 3.44Å; T122-L126 PolarHBondContact O-N 3.26Å; T122-H194 HydrophobicContact CG2-CB 3.96Å; T122-H194 WeakPolarHBondContact CG2-CD2 3.23Å
123	A	98.4	Very high	97.4	Very high	5 Å²	5	19.6 Å²	19.6	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-42.6	177.3	0	0	0	0	0	111.9	E106 L115 S119 P120 A121 L126 G127	E106-A123 HydrophobicContact CG-CB 4.14Å; L115-A123 HydrophobicContact CD2-CB 3.96Å; S119-A123 PolarHBondContact O-N 2.86Å; P120-A123 PolarHBondContact O-N 3.41Å; A121-A123 VanDerWaalsContact C-N 3.35Å; A121-A123 PolarHBondContact O-N 3.05Å; A123-L126 PolarHBondContact O-N 3.39Å; A123-G127 PolarHBondContact O-N 2.86Å
124	M	98.8	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-42.3	173.5	-67.5	-179.7	-172.6	0	0	112.1	V55 V95 F104 P120 A121 L126 G127 A128 E283 A285	V55-M124 HydrophobicContact CG1-CB 4.21Å; V55-M124 HydrophobicContact CG1-CG 4.02Å; V55-M124 HydrophobicContact CG1-SD 4.44Å; V95-M124 HydrophobicContact CB-CE 4.17Å; V95-M124 HydrophobicContact CG2-CE 4.05Å; V95-M124 HydrophobicContact CG2-SD 4.15Å; F104-M124 HydrophobicContact CD1-CG 4.38Å; F104-M124 HydrophobicContact CE1-CG 3.89Å; F104-M124 HydrophobicContact CZ-CG 4.19Å; P120-M124 WeakPolarHBondContact O-CG 3.33Å; P120-M124 PolarHBondContact O-N 2.89Å; A121-M124 PolarHBondContact O-N 2.93Å; M124-L126 VanDerWaalsContact C-N 3.33Å; M124-L126 PolarHBondContact O-N 2.96Å; M124-G127 PolarHBondContact O-N 2.69Å; M124-A128 WeakPolarHBondContact O-CB 3.33Å; M124-A128 PolarHBondContact O-N 3.41Å; M124-E283 HydrophobicContact CE-CG 4.25Å; M124-A285 HydrophobicContact CB-CB 3.84Å; M124-A285 WeakPolarHBondContact O-CB 3.39Å
125	A	98.9	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-43.2	177.5	0	0	0	0	0	111.7	A121 T122 A128 A129 V153 A191 I195 T239 A285	A121-A125 WeakPolarHBondContact O-CB 3.34Å; A121-A125 PolarHBondContact O-N 2.86Å; T122-A125 PolarHBondContact O-N 3.44Å; A125-A128 PolarHBondContact O-N 3.33Å; A125-A129 VanDerWaalsContact O-CB 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.47Å; A125-A129 PolarHBondContact O-N 3.48Å; A125-V153 HydrophobicContact CB-CG1 4.39Å; A125-A191 HydrophobicContact CB-CB 3.93Å; A125-I195 HydrophobicContact CB-CD1 4.2Å; A125-T239 HydrophobicContact CB-CG2 3.85Å; A125-A285 HydrophobicContact CB-CB 4.49Å
126	L	98.8	Very high	98	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-44.5	176.8	-169.9	69.3	0	0	0	111.5	A110 M118 T122 A123 M124 A129 Q130 I195 K198	A110-L126 HydrophobicContact CB-CD2 3.93Å; M118-L126 HydrophobicContact CE-CD2 3.8Å; M118-L126 HydrophobicContact SD-CD2 4.23Å; T122-L126 PolarHBondContact O-N 3.26Å; A123-L126 PolarHBondContact O-N 3.39Å; M124-L126 VanDerWaalsContact C-N 3.33Å; M124-L126 PolarHBondContact O-N 2.96Å; L126-A129 PolarHBondContact O-N 2.72Å; L126-Q130 WeakPolarHBondContact O-CB 2.97Å; L126-Q130 PolarHBondContact O-N 2.94Å; L126-I195 HydrophobicContact CD1-CG1 4.04Å; L126-K198 HydrophobicContact CD1-CB 3.72Å; L126-K198 HydrophobicContact CD1-CG 3.95Å
127	G	98.8	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-45.4	176.2	0	0	0	0	0	112.9	A123 M124 A129 Q130 L131	A123-G127 PolarHBondContact O-N 2.86Å; M124-G127 PolarHBondContact O-N 2.69Å; G127-A129 VanDerWaalsContact C-N 3.35Å; G127-A129 PolarHBondContact O-N 3.17Å; G127-Q130 PolarHBondContact O-N 2.92Å; G127-L131 VanDerWaalsContact O-CG 3.28Å; G127-L131 WeakPolarHBondContact O-CG 3.47Å; G127-L131 PolarHBondContact O-N 2.82Å
128	A	98.9	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.2	-40.4	175.2	0	0	0	0	0	112.1	G53 V55 M124 A125 L131 A132 A285 V287	G53-A128 WeakPolarHBondContact CA-O 3.44Å; V55-A128 HydrophobicContact CG2-CB 4.13Å; M124-A128 WeakPolarHBondContact O-CB 3.33Å; M124-A128 PolarHBondContact O-N 3.41Å; A125-A128 PolarHBondContact O-N 3.33Å; A128-L131 PolarHBondContact O-N 2.95Å; A128-A132 WeakPolarHBondContact O-CB 3.36Å; A128-A132 PolarHBondContact O-N 2.89Å; A128-A285 HydrophobicContact CB-CB 3.82Å; A128-V287 HydrophobicContact CB-CB 4.08Å; A128-V287 HydrophobicContact CB-CG2 3.75Å
129	A	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-43.6	176.7	0	0	0	0	0	112.5	A125 L126 G127 L131 A132 L133 I195 V235 V287	A125-A129 VanDerWaalsContact O-CB 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.47Å; A125-A129 PolarHBondContact O-N 3.48Å; L126-A129 PolarHBondContact O-N 2.72Å; G127-A129 VanDerWaalsContact C-N 3.35Å; G127-A129 PolarHBondContact O-N 3.17Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 2.9Å; A129-A132 PolarHBondContact O-N 2.9Å; A129-L133 WeakPolarHBondContact O-CG 3.49Å; A129-L133 PolarHBondContact O-N 3.07Å; A129-I195 HydrophobicContact CB-CB 4.47Å; A129-I195 HydrophobicContact CB-CD1 3.71Å; A129-I195 HydrophobicContact CB-CG1 3.75Å; A129-I195 HydrophobicContact CB-CG2 3.87Å; A129-V235 HydrophobicContact CB-CG1 3.93Å; A129-V287 HydrophobicContact CB-CG1 4.08Å; A129-V287 HydrophobicContact CB-CG2 4.35Å
130	Q	98.8	Very high	98.4	Very high	40 Å²	40	23 Å²	23	19%	0.187	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-46.5	174.8	179.6	172.4	-22.5	0	0	110.9	F109 L126 G127 A132 L133 E134	F109-Q130 HydrophobicContact CD1-CB 4.18Å; F109-Q130 HydrophobicContact CD1-CG 4.35Å; L126-Q130 WeakPolarHBondContact O-CB 2.97Å; L126-Q130 PolarHBondContact O-N 2.94Å; G127-Q130 PolarHBondContact O-N 2.92Å; Q130-A132 VanDerWaalsContact C-N 3.32Å; Q130-A132 PolarHBondContact O-N 2.73Å; Q130-L133 PolarHBondContact O-N 2.94Å; Q130-E134 HydrophobicContact CG-CG 4.4Å; Q130-E134 VanDerWaalsContact CG-OE1 3.25Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.3Å; Q130-E134 PolarHBondContact NE2-OE1 2.87Å; Q130-E134 WeakPolarHBondContact O-CB 3.18Å; Q130-E134 VanDerWaalsContact O-CG 3.29Å; Q130-E134 WeakPolarHBondContact O-CG 3.48Å; Q130-E134 PolarHBondContact O-N 2.99Å
131	L	98.9	Very high	98.4	Very high	33 Å²	33	27.8 Å²	27.8	17%	0.173	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-39.4	176.3	-68.9	169.6	0	0	0	112.5	V55 T60 F109 G127 A128 A129 D135	V55-L131 HydrophobicContact CG2-CD1 4.41Å; T60-L131 HydrophobicContact CG2-CD1 3.7Å; F109-L131 HydrophobicContact CE1-CD2 4.44Å; F109-L131 HydrophobicContact CE1-CG 4.21Å; F109-L131 HydrophobicContact CZ-CD1 4.46Å; G127-L131 VanDerWaalsContact O-CG 3.28Å; G127-L131 WeakPolarHBondContact O-CG 3.47Å; G127-L131 PolarHBondContact O-N 2.82Å; A128-L131 PolarHBondContact O-N 2.95Å; A129-L131 VanDerWaalsContact C-N 3.34Å; A129-L131 PolarHBondContact O-N 2.9Å; L131-D135 WeakPolarHBondContact O-CB 3.28Å; L131-D135 PolarHBondContact O-N 2.91Å
132	A	98.9	Very high	98.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-40.9	178.5	0	0	0	0	0	112.4	G51 A128 A129 Q130 D135 A136 V287	G51-A132 WeakPolarHBondContact CA-O 3.21Å; A128-A132 WeakPolarHBondContact O-CB 3.36Å; A128-A132 PolarHBondContact O-N 2.89Å; A129-A132 PolarHBondContact O-N 2.9Å; Q130-A132 VanDerWaalsContact C-N 3.32Å; Q130-A132 PolarHBondContact O-N 2.73Å; A132-D135 PolarHBondContact O-N 3.37Å; A132-A136 WeakPolarHBondContact O-CB 3.19Å; A132-A136 PolarHBondContact O-N 2.88Å; A132-V287 HydrophobicContact CB-CB 4.35Å; A132-V287 HydrophobicContact CB-CG1 4.07Å; A132-V287 WeakPolarHBondContact CB-O 3.31Å
133	L	98.9	Very high	98.3	Very high	11 Å²	11	34.4 Å²	34.4	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-42.7	176.4	-72.4	168.8	0	0	0	111.6	A129 Q130 A136 G137 W138 H199 V235 L289	A129-L133 WeakPolarHBondContact O-CG 3.49Å; A129-L133 PolarHBondContact O-N 3.07Å; Q130-L133 PolarHBondContact O-N 2.94Å; L133-A136 PolarHBondContact O-N 3.1Å; L133-G137 PolarHBondContact O-N 3.45Å; L133-W138 HydrophobicContact CD2-CB 4.33Å; L133-W138 HydrophobicContact CD2-CG 4.47Å; L133-W138 PolarHBondContact O-N 2.66Å; L133-H199 HydrophobicContact CD1-CB 4.22Å; L133-V235 HydrophobicContact CD1-CG2 4.47Å; L133-V235 HydrophobicContact CD2-CG2 3.78Å; L133-V235 HydrophobicContact CG-CG2 4.25Å; L133-L289 HydrophobicContact CD2-CD1 4.17Å
134	E	98.8	Very high	98.3	Very high	114 Å²	114	40.6 Å²	40.6	53%	0.533	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-45.8	173.8	-74.1	171.1	-174.8	0	0	111.2	Q130 A136 G137	Q130-E134 HydrophobicContact CG-CG 4.4Å; Q130-E134 VanDerWaalsContact CG-OE1 3.25Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.3Å; Q130-E134 PolarHBondContact NE2-OE1 2.87Å; Q130-E134 WeakPolarHBondContact O-CB 3.18Å; Q130-E134 VanDerWaalsContact O-CG 3.29Å; Q130-E134 WeakPolarHBondContact O-CG 3.48Å; Q130-E134 PolarHBondContact O-N 2.99Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 2.89Å; E134-G137 PolarHBondContact O-N 3.35Å; E134-G137 VanDerWaalsContact O-N 3.1Å
135	D	98.9	Very high	98.3	Very high	45 Å²	45	43.6 Å²	43.6	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-39.1	178.3	-172.2	56.9	0	0	0	112.2	G51 I52 L131 A132 G137 R302 Y304	G51-D135 WeakPolarHBondContact CA-OD2 3.3Å; I52-D135 PolarHBondContact N-OD2 3.27Å; L131-D135 WeakPolarHBondContact O-CB 3.28Å; L131-D135 PolarHBondContact O-N 2.91Å; A132-D135 PolarHBondContact O-N 3.37Å; D135-G137 VanDerWaalsContact C-N 3.33Å; D135-R302 PolarHBondContact O-NH2 2.9Å; D135-R302 IonicContact OD1-CZ 3.58Å; D135-R302 IonicContact OD1-NH2 2.74Å; D135-R302 PolarHBondContact OD1-NH2 2.99Å; D135-R302 IonicContact OD2-NH2 3.81Å; D135-R302 PolarHBondContact OD2-NH2 3.34Å; D135-R302 VanDerWaalsContact OD2-NH2 3.12Å; D135-Y304 VanDerWaalsContact CG-OH 3.29Å; D135-Y304 PolarHBondContact OD1-OH 3.39Å; D135-Y304 VanDerWaalsContact OD1-OH 3.11Å; D135-Y304 WeakPolarHBondContact OD2-CE2 3.32Å; D135-Y304 VanDerWaalsContact OD2-CZ 3.28Å; D135-Y304 PolarHBondContact OD2-OH 2.79Å
136	A	98.8	Very high	98.2	Very high	10 Å²	10	45.5 Å²	45.5	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-75.8	-17.2	176.1	0	0	0	0	0	114.4	T50 A132 L133 E134 W138 L289 R299	T50-A136 WeakPolarHBondContact O-CA 3.44Å; A132-A136 WeakPolarHBondContact O-CB 3.19Å; A132-A136 PolarHBondContact O-N 2.88Å; L133-A136 PolarHBondContact O-N 3.1Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 2.89Å; A136-W138 HydrophobicContact CB-CB 4.09Å; A136-W138 PolarHBondContact O-N 2.85Å; A136-L289 HydrophobicContact CB-CB 4.23Å; A136-L289 HydrophobicContact CB-CD2 3.32Å; A136-L289 HydrophobicContact CB-CG 4.4Å; A136-R299 PolarHBondContact O-NH1 2.84Å; A136-R299 PolarHBondContact O-NH2 3.16Å
137	G	98.5	Very high	98.2	Very high	58 Å²	58	50.3 Å²	50.3	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	34.2	-166	0	0	0	0	0	112.8	L133 E134 D135	L133-G137 PolarHBondContact O-N 3.45Å; E134-G137 PolarHBondContact O-N 3.35Å; E134-G137 VanDerWaalsContact O-N 3.1Å; D135-G137 VanDerWaalsContact C-N 3.33Å
138	W	98.4	Very high	98.2	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.068	29%	0.293	C	S	.	.			trans	-104.6	113.8	-179.5	-175	-114.7	0	0	0	110.9	L133 A136 P140 E145 T149 A233 L289 H295	L133-W138 HydrophobicContact CD2-CB 4.33Å; L133-W138 HydrophobicContact CD2-CG 4.47Å; L133-W138 PolarHBondContact O-N 2.66Å; A136-W138 HydrophobicContact CB-CB 4.09Å; A136-W138 PolarHBondContact O-N 2.85Å; W138-P140 HydrophobicContact CZ2-CG 4.24Å; W138-E145 HydrophobicContact CH2-CB 4.38Å; W138-E145 HydrophobicContact CH2-CG 3.95Å; W138-E145 HydrophobicContact CZ2-CB 4.26Å; W138-E145 HydrophobicContact CZ2-CG 4.32Å; W138-T149 PolarHBondContact NE1-OG1 3.16Å; W138-A233 HydrophobicContact CZ2-CB 4.43Å; W138-L289 HydrophobicContact CB-CD2 3.46Å; W138-L289 VanDerWaalsContact CB-CD2 3.46Å; W138-L289 HydrophobicContact CG-CD2 3.78Å; W138-H295 AromaticContact CE3-CE1 3.93Å; W138-H295 AromaticContact CH2-CE1 3.21Å; W138-H295 WeakPolarHBondContact CH2-CE1 3.49Å; W138-H295 AromaticContact CH2-NE2 3.19Å; W138-H295 WeakPolarHBondContact CH2-NE2 3.27Å; W138-H295 AromaticContact CZ2-CE1 3.92Å; W138-H295 AromaticContact CZ3-CE1 3.22Å; W138-H295 WeakPolarHBondContact CZ3-CE1 3.41Å; W138-H295 AromaticContact CZ3-NE2 3.46Å; W138-H295 WeakPolarHBondContact CZ3-NE2 3.36Å
139	C	97.1	Very high	98.2	Very high	90 Å²	90	52.8 Å²	52.8	61%	0.608	29%	0.293	S	S	*	.			trans	-139.2	91.1	177.4	-170	0	0	0	0	108.9	Q141	C139-Q141 WeakPolarHBondContact O-CG 3.42Å; C139-Q141 PolarHBondContact O-N 2.78Å; C139-Q141 PolarHBondContact O-NE2 3.15Å; C139-Q141 PolarHBondContact SG-NE2 2.89Å
140	P	95.9	Very high	98.2	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.065	29%	0.293	C	S	.	.			trans	-48.9	126.1	179.5	-31.3	38	0	0	0	112.1	W138 E145 H146 T149 L201	W138-P140 HydrophobicContact CZ2-CG 4.24Å; P140-E145 HydrophobicContact CB-CB 3.79Å; P140-H146 PolarHBondContact O-CE1 3.27Å; P140-H146 PolarHBondContact O-NE2 2.93Å; P140-T149 HydrophobicContact CG-CG2 4.47Å; P140-L201 HydrophobicContact CG-CD2 3.91Å
141	Q	95.3	Very high	98.2	Very high	144 Å²	144	50.9 Å²	50.9	67%	0.673	29%	0.285	S	S	*	.			trans	-113.9	-35.9	179.4	-61.5	-56	-63.8	0	0	111.8	C139 E145	C139-Q141 WeakPolarHBondContact O-CG 3.42Å; C139-Q141 PolarHBondContact O-N 2.78Å; C139-Q141 PolarHBondContact O-NE2 3.15Å; C139-Q141 PolarHBondContact SG-NE2 2.89Å; Q141-E145 PolarHBondContact N-OE2 2.93Å
142	S	97.8	Very high	98.2	Very high	42 Å²	42	49.4 Å²	49.4	29%	0.294	28%	0.277	S	S	.	.	S	Bend	trans	-90.9	152.8	-177.7	70.5	0	0	0	0	111.8	E144 E145 H146	S142-E144 PolarHBondContact O-N 2.89Å; S142-E144 VanDerWaalsContact O-N 3.16Å; S142-E145 PolarHBondContact N-OE2 2.67Å; S142-E145 PolarHBondContact O-N 3.02Å; S142-E145 WeakPolarHBondContact OG-CB 3.48Å; S142-E145 WeakPolarHBondContact OG-CG 3.47Å; S142-E145 PolarHBondContact OG-N 3.39Å; S142-E145 VanDerWaalsContact OG-N 3.12Å; S142-E145 PolarHBondContact OG-OE2 2.57Å; S142-E145 VanDerWaalsContact OG-OE2 3.08Å; S142-H146 PolarHBondContact O-CD2 2.85Å; S142-H146 PolarHBondContact O-N 3.3Å
143	P	98.1	Very high	98.2	Very high	101 Å²	101	49.3 Å²	49.3	66%	0.656	28%	0.277	S	S	*	.	H	α-helix	trans	-53.5	-34.7	173	-27.2	35.5	0	0	0	113.3	L147	P143-L147 WeakPolarHBondContact O-CB 3.22Å; P143-L147 VanDerWaalsContact O-CG 3.22Å; P143-L147 WeakPolarHBondContact O-CG 3.21Å; P143-L147 PolarHBondContact O-N 3.1Å
144	E	97.9	Very high	98.2	Very high	135 Å²	135	48.8 Å²	48.8	63%	0.631	27%	0.274	S	S	*	.	H	α-helix	trans	-67.7	-47.3	178	-177.1	172.8	-173.4	0	0	112	S142 H146 L147 N148	S142-E144 PolarHBondContact O-N 2.89Å; S142-E144 VanDerWaalsContact O-N 3.16Å; E144-H146 VanDerWaalsContact C-N 3.28Å; E144-H146 PolarHBondContact O-N 3.41Å; E144-L147 PolarHBondContact O-N 3.05Å; E144-N148 VanDerWaalsContact CG-ND2 3.27Å; E144-N148 WeakPolarHBondContact CG-ND2 3.29Å; E144-N148 WeakPolarHBondContact O-CB 3.37Å; E144-N148 PolarHBondContact O-N 2.92Å; E144-N148 PolarHBondContact O-ND2 2.87Å
145	E	98.1	Very high	98.2	Very high	63 Å²	63	43.5 Å²	43.5	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-39.2	176.1	-70.4	164.9	149.5	0	0	111.5	W138 P140 Q141 S142 N148 T149	W138-E145 HydrophobicContact CH2-CB 4.38Å; W138-E145 HydrophobicContact CH2-CG 3.95Å; W138-E145 HydrophobicContact CZ2-CB 4.26Å; W138-E145 HydrophobicContact CZ2-CG 4.32Å; P140-E145 HydrophobicContact CB-CB 3.79Å; Q141-E145 PolarHBondContact N-OE2 2.93Å; S142-E145 PolarHBondContact N-OE2 2.67Å; S142-E145 PolarHBondContact O-N 3.02Å; S142-E145 WeakPolarHBondContact OG-CB 3.48Å; S142-E145 WeakPolarHBondContact OG-CG 3.47Å; S142-E145 PolarHBondContact OG-N 3.39Å; S142-E145 VanDerWaalsContact OG-N 3.12Å; S142-E145 PolarHBondContact OG-OE2 2.57Å; S142-E145 VanDerWaalsContact OG-OE2 3.08Å; E145-N148 PolarHBondContact O-N 3.46Å; E145-T149 WeakPolarHBondContact O-CB 3.41Å; E145-T149 PolarHBondContact O-N 3.44Å; E145-T149 PolarHBondContact O-OG1 2.96Å
146	H	98.5	Very high	98.1	Very high	39 Å²	39	41.9 Å²	41.9	18%	0.181	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-44.4	174.7	-75.2	-69.1	0	0	0	111.9	P140 S142 E144 N148 G200 K202 G203	P140-H146 PolarHBondContact O-CE1 3.27Å; P140-H146 PolarHBondContact O-NE2 2.93Å; S142-H146 PolarHBondContact O-CD2 2.85Å; S142-H146 PolarHBondContact O-N 3.3Å; E144-H146 VanDerWaalsContact C-N 3.28Å; E144-H146 PolarHBondContact O-N 3.41Å; H146-N148 VanDerWaalsContact C-N 3.33Å; H146-G200 WeakPolarHBondContact CB-O 3.48Å; H146-G200 PolarHBondContact ND1-O 3.46Å; H146-K202 HydrophobicContact CB-CD 4.38Å; H146-K202 WeakPolarHBondContact O-CA 3.41Å; H146-K202 WeakPolarHBondContact O-CB 3.21Å; H146-K202 PolarHBondContact O-N 2.77Å; H146-G203 PolarHBondContact O-N 3Å
147	L	98.6	Very high	98.1	Very high	102 Å²	102	43.6 Å²	43.6	53%	0.534	25%	0.25	S	C	.	.	H	α-helix	trans	-69.6	-30.8	179.1	-72.3	168.7	0	0	0	112.7	P143 E144 K202 G203	P143-L147 WeakPolarHBondContact O-CB 3.22Å; P143-L147 VanDerWaalsContact O-CG 3.22Å; P143-L147 WeakPolarHBondContact O-CG 3.21Å; P143-L147 PolarHBondContact O-N 3.1Å; E144-L147 PolarHBondContact O-N 3.05Å; L147-K202 HydrophobicContact CD2-CB 4.05Å; L147-G203 WeakPolarHBondContact O-CA 3.4Å; L147-G203 PolarHBondContact O-N 3Å
148	N	98.2	Very high	98	Very high	52 Å²	52	43.1 Å²	43.1	28%	0.278	24%	0.235	S	C	.	.	H	α-helix	trans	-93.5	0.7	-179	-71.4	-42	0	0	0	113.8	E144 E145 H146 V232 A233	E144-N148 VanDerWaalsContact CG-ND2 3.27Å; E144-N148 WeakPolarHBondContact CG-ND2 3.29Å; E144-N148 WeakPolarHBondContact O-CB 3.37Å; E144-N148 PolarHBondContact O-N 2.92Å; E144-N148 PolarHBondContact O-ND2 2.87Å; E145-N148 PolarHBondContact O-N 3.46Å; H146-N148 VanDerWaalsContact C-N 3.33Å; N148-V232 HydrophobicContact CB-CB 4.11Å; N148-V232 HydrophobicContact CB-CG2 3.98Å; N148-V232 PolarHBondContact O-N 3.02Å; N148-A233 PolarHBondContact O-N 2.92Å; N148-A233 VanDerWaalsContact O-N 3.17Å
149	T	98.9	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.5	172.3	-51.9	0	0	0	0	110.1	W138 P140 E145 L201 K202 G203 A233	W138-T149 PolarHBondContact NE1-OG1 3.16Å; P140-T149 HydrophobicContact CG-CG2 4.47Å; E145-T149 WeakPolarHBondContact O-CB 3.41Å; E145-T149 PolarHBondContact O-N 3.44Å; E145-T149 PolarHBondContact O-OG1 2.96Å; T149-L201 HydrophobicContact CG2-CB 4.5Å; T149-L201 HydrophobicContact CG2-CD1 4.2Å; T149-L201 HydrophobicContact CG2-CD2 3.7Å; T149-L201 HydrophobicContact CG2-CG 4.33Å; T149-L201 WeakPolarHBondContact O-CB 3.46Å; T149-K202 PolarHBondContact O-N 3.01Å; T149-G203 WeakPolarHBondContact O-CA 3.46Å; T149-G203 PolarHBondContact O-N 2.91Å; T149-A233 CarbonylContact C-O 3.53Å; T149-A233 VanDerWaalsContact CA-O 3.31Å; T149-A233 WeakPolarHBondContact CA-O 3.37Å; T149-A233 HydrophobicContact CG2-CB 4.07Å
150	G	98.9	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-179.7	176.6	0	0	0	0	0	113.8	P204 A233 M234 V235	G150-P204 CarbonylContact C-O 3.47Å; G150-P204 WeakPolarHBondContact CA-O 3.33Å; G150-A233 PolarHBondContact N-O 2.94Å; G150-M234 WeakPolarHBondContact CA-SD 3.48Å; G150-V235 PolarHBondContact O-N 3.31Å
151	V	98.9	Very high	97.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.8	178.6	-170.5	0	0	0	0	109.7	V153 A192 I195 L201 P204 N205 H206 V235	V151-V153 HydrophobicContact CG1-CG2 3.98Å; V151-A192 HydrophobicContact CB-CB 4.47Å; V151-A192 HydrophobicContact CG1-CB 3.79Å; V151-I195 HydrophobicContact CG1-CB 4.1Å; V151-I195 HydrophobicContact CG1-CD1 4.48Å; V151-I195 HydrophobicContact CG1-CG2 3.91Å; V151-I195 HydrophobicContact CG2-CG2 3.99Å; V151-L201 HydrophobicContact CG2-CB 3.86Å; V151-L201 HydrophobicContact CG2-CD1 3.53Å; V151-L201 HydrophobicContact CG2-CG 4.28Å; V151-P204 PolarHBondContact N-O 3.05Å; V151-P204 VanDerWaalsContact O-O 3.11Å; V151-N205 WeakPolarHBondContact O-CA 3.19Å; V151-H206 PolarHBondContact O-N 3.01Å; V151-V235 CarbonylContact C-O 3.49Å; V151-V235 VanDerWaalsContact CA-O 3.27Å; V151-V235 WeakPolarHBondContact CA-O 3.36Å; V151-V235 HydrophobicContact CG2-CB 4.46Å
152	A	98.9	Very high	97.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	83.3	173.6	0	0	0	0	0	109.7	H206 A222 M234 V235 T236 G237	A152-H206 WeakPolarHBondContact CA-O 3.17Å; A152-H206 HydrophobicContact CB-CB 4.24Å; A152-A222 HydrophobicContact CB-CB 4.02Å; A152-M234 HydrophobicContact CB-CE 3.71Å; A152-V235 PolarHBondContact N-O 3.11Å; A152-T236 WeakPolarHBondContact O-CA 3.39Å; A152-T236 VanDerWaalsContact O-CB 3.31Å; A152-T236 WeakPolarHBondContact O-CB 3.34Å; A152-T236 PolarHBondContact O-OG1 3.11Å; A152-G237 PolarHBondContact O-N 3.05Å; A152-G237 VanDerWaalsContact O-N 3.16Å
153	V	98.9	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.1	-178.3	175.6	0	0	0	0	109.3	A125 V151 A191 A192 I195 H206 S207 G237 V287	A125-V153 HydrophobicContact CB-CG1 4.39Å; V151-V153 HydrophobicContact CG1-CG2 3.98Å; V153-A191 HydrophobicContact CG1-CB 4.06Å; V153-A192 HydrophobicContact CB-CB 4.28Å; V153-I195 HydrophobicContact CB-CD1 4.3Å; V153-I195 HydrophobicContact CG1-CD1 4.43Å; V153-I195 HydrophobicContact CG2-CD1 3.8Å; V153-H206 PolarHBondContact N-O 3.33Å; V153-S207 PolarHBondContact O-OG 3.4Å; V153-G237 WeakPolarHBondContact CA-O 3.43Å; V153-V287 HydrophobicContact CG2-CG2 4.47Å
154	G	98.8	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	162	-179.9	0	0	0	0	0	113.8	V208 T214 G237 G238 T239	G154-V208 WeakPolarHBondContact CA-O 3.41Å; G154-T214 VanDerWaalsContact CA-CG2 3.46Å; G154-G237 PolarHBondContact N-O 3.18Å; G154-G237 VanDerWaalsContact N-O 3.08Å; G154-G238 WeakPolarHBondContact O-CA 3.1Å; G154-T239 PolarHBondContact O-N 3.48Å
155	M	98.8	Very high	97.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.3	170.3	177.7	168.7	66	0	0	109.7	A121 M157 V188 V208 S209 T239	A121-M155 HydrophobicContact CB-SD 3.54Å; A121-M155 VanDerWaalsContact CB-SD 3.54Å; M155-M157 VanDerWaalsContact CG-O 3.23Å; M155-M157 WeakPolarHBondContact CG-O 3.18Å; M155-V188 HydrophobicContact CB-CG1 3.83Å; M155-V188 HydrophobicContact CE-CB 4.38Å; M155-V188 HydrophobicContact CE-CG2 4.38Å; M155-V188 VanDerWaalsContact O-CG1 3.26Å; M155-V188 WeakPolarHBondContact O-CG1 3.35Å; M155-V208 PolarHBondContact N-O 3.46Å; M155-S209 WeakPolarHBondContact O-CB 3.5Å; M155-S209 PolarHBondContact O-OG 3.24Å; M155-T239 WeakPolarHBondContact CA-O 3.17Å; M155-T239 HydrophobicContact CB-CG2 3.99Å; M155-T239 HydrophobicContact CG-CG2 4.25Å; M155-T239 HydrophobicContact SD-CG2 4.23Å
156	G	97.8	Very high	97	Very high	11 Å²	11	34.2 Å²	34.2	11%	0.113	18%	0.18	C	C	.	.	S	Bend	trans	-76.3	-39.8	-171.1	0	0	0	0	0	112.4	S209 E240	G156-S209 PolarHBondContact O-OG 2.94Å; G156-E240 VanDerWaalsContact CA-OE2 3.26Å; G156-E240 WeakPolarHBondContact CA-OE2 2.94Å; G156-E240 PolarHBondContact N-OE2 2.87Å
157	M	97	Very high	97	Very high	45 Å²	45	35.2 Å²	35.2	22%	0.222	19%	0.191	C	C	.	.	S	Bend	trans	-137	157	178.9	-67	-175.2	-54.5	0	0	112.4	M155 E240 C242 F251 L392	M155-M157 VanDerWaalsContact CG-O 3.23Å; M155-M157 WeakPolarHBondContact CG-O 3.18Å; M157-E240 PolarHBondContact N-OE1 3.03Å; M157-E240 PolarHBondContact N-OE2 3.04Å; M157-C242 HydrophobicContact CE-CB 3.99Å; M157-C242 WeakPolarHBondContact CE-SG 3.27Å; M157-F251 HydrophobicContact CE-CE2 3.67Å; M157-F251 HydrophobicContact CE-CZ 4.04Å; M157-F251 HydrophobicContact SD-CE2 3.7Å; M157-F251 HydrophobicContact SD-CZ 3.81Å; M157-L392 HydrophobicContact CE-CD1 3.56Å
158	V	96.6	Very high	96.9	Very high	48 Å²	48	32.3 Å²	32.3	29%	0.291	18%	0.182	S	C	.	.			trans	-75.1	157.1	168.7	-62.3	0	0	0	0	110.5	L160 I163 I186 V188	V158-L160 HydrophobicContact CG2-CD2 4.13Å; V158-L160 PolarHBondContact O-N 3.44Å; V158-I163 HydrophobicContact CB-CD1 3.96Å; V158-I163 HydrophobicContact CG2-CD1 3.43Å; V158-I163 VanDerWaalsContact CG2-CD1 3.43Å; V158-I186 VanDerWaalsContact CG1-O 3.3Å; V158-I186 WeakPolarHBondContact CG1-O 3.24Å; V158-V188 HydrophobicContact CG1-CG2 3.81Å
159	S	93.1	Very high	96.9	Very high	17 Å²	17	31.1 Å²	31.1	12%	0.119	18%	0.179	C	C	.	.			trans	-68.5	96.8	174.3	-175.7	0	0	0	0	111.1	D161 E162 I163	S159-D161 VanDerWaalsContact C-N 3.29Å; S159-D161 PolarHBondContact O-N 3.43Å; S159-E162 PolarHBondContact O-N 2.67Å; S159-E162 WeakPolarHBondContact OG-CB 3.33Å; S159-I163 WeakPolarHBondContact O-CG1 3.32Å; S159-I163 PolarHBondContact O-N 3.46Å
160	L	95.8	Very high	96.8	Very high	57 Å²	57	36.2 Å²	36.2	30%	0.298	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-36.5	-177.8	-65.7	-178.3	0	0	0	112.4	V158 I163 A164 L246	V158-L160 HydrophobicContact CG2-CD2 4.13Å; V158-L160 PolarHBondContact O-N 3.44Å; L160-I163 PolarHBondContact O-N 3.35Å; L160-A164 VanDerWaalsContact O-CB 3.3Å; L160-A164 WeakPolarHBondContact O-CB 3.42Å; L160-A164 PolarHBondContact O-N 3.16Å; L160-L246 HydrophobicContact CB-CD2 4.23Å
161	D	91.9	Very high	96.8	Very high	50 Å²	50	46.2 Å²	46.2	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-70.9	-34.9	179.8	-64.7	-23.2	0	0	0	112.3	S159 R165 G244	S159-D161 VanDerWaalsContact C-N 3.29Å; S159-D161 PolarHBondContact O-N 3.43Å; D161-R165 VanDerWaalsContact O-CB 3.24Å; D161-R165 WeakPolarHBondContact O-CB 3.19Å; D161-R165 WeakPolarHBondContact O-CG 3.28Å; D161-R165 PolarHBondContact O-N 2.63Å; D161-R165 PolarHBondContact O-NE 2.98Å; D161-R165 VanDerWaalsContact O-NE 3.16Å; D161-G244 WeakPolarHBondContact OD2-CA 3.45Å
162	E	93.1	Very high	96.8	Very high	16 Å²	16	53 Å²	53	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-44.6	172.4	-166	78.7	-172.1	0	0	110.6	S159 R165 T166 R185 I186	S159-E162 PolarHBondContact O-N 2.67Å; S159-E162 WeakPolarHBondContact OG-CB 3.33Å; E162-R165 IonicContact OE2-CZ 2.86Å; E162-R165 IonicContact OE2-NH2 3.87Å; E162-R165 PolarHBondContact OE2-NH2 3.41Å; E162-T166 VanDerWaalsContact O-CB 3.28Å; E162-T166 WeakPolarHBondContact O-CB 3.42Å; E162-T166 PolarHBondContact O-N 2.89Å; E162-T166 PolarHBondContact O-OG1 3.43Å; E162-R185 VanDerWaalsContact CD-NH2 3.3Å; E162-R185 IonicContact OE1-CZ 2.69Å; E162-R185 IonicContact OE1-NE 3.57Å; E162-R185 IonicContact OE1-NH1 3.59Å; E162-R185 PolarHBondContact OE1-NH1 3.34Å; E162-R185 IonicContact OE1-NH2 2.85Å; E162-R185 PolarHBondContact OE1-NH2 2.92Å; E162-R185 IonicContact OE2-NH2 3.23Å; E162-R185 PolarHBondContact OE2-NH2 2.94Å; E162-I186 HydrophobicContact CB-CG2 4.25Å; E162-I186 HydrophobicContact CG-CG2 3.96Å
163	I	96.8	Very high	96.7	Very high	56 Å²	56	59.4 Å²	59.4	29%	0.287	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-48.6	178.3	-67.1	169.5	0	0	0	110.7	V158 S159 L160 T166 S167 F182 I186	V158-I163 HydrophobicContact CB-CD1 3.96Å; V158-I163 HydrophobicContact CG2-CD1 3.43Å; V158-I163 VanDerWaalsContact CG2-CD1 3.43Å; S159-I163 WeakPolarHBondContact O-CG1 3.32Å; S159-I163 PolarHBondContact O-N 3.46Å; L160-I163 PolarHBondContact O-N 3.35Å; I163-T166 PolarHBondContact O-N 2.95Å; I163-S167 VanDerWaalsContact O-CB 3.26Å; I163-S167 WeakPolarHBondContact O-CB 3.45Å; I163-S167 PolarHBondContact O-N 3.24Å; I163-F182 HydrophobicContact CG1-CE2 4.43Å; I163-F182 HydrophobicContact CG1-CZ 4.42Å; I163-I186 HydrophobicContact CD1-CD1 4.45Å; I163-I186 HydrophobicContact CG1-CB 4.39Å; I163-I186 HydrophobicContact CG1-CD1 4.2Å; I163-I186 HydrophobicContact CG1-CG2 3.98Å
164	A	96.1	Very high	96.6	Very high	43 Å²	43	60.8 Å²	60.8	36%	0.355	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-47.9	-178.5	0	0	0	0	0	111.6	L160 T166 S167 A168 L246	L160-A164 VanDerWaalsContact O-CB 3.3Å; L160-A164 WeakPolarHBondContact O-CB 3.42Å; L160-A164 PolarHBondContact O-N 3.16Å; A164-T166 PolarHBondContact O-N 2.82Å; A164-S167 PolarHBondContact O-N 3.04Å; A164-A168 PolarHBondContact O-N 3.31Å; A164-L246 HydrophobicContact CB-CD2 4.29Å
165	R	95	Very high	96.5	Very high	155 Å²	155	69.7 Å²	69.7	59%	0.585	35%	0.348	S	S	*	.	H	α-helix	trans	-61.9	-44.2	177.6	-72	-178.8	-59.7	168.8	3.6	111.9	D161 E162 A168 A169	D161-R165 VanDerWaalsContact O-CB 3.24Å; D161-R165 WeakPolarHBondContact O-CB 3.19Å; D161-R165 WeakPolarHBondContact O-CG 3.28Å; D161-R165 PolarHBondContact O-N 2.63Å; D161-R165 PolarHBondContact O-NE 2.98Å; D161-R165 VanDerWaalsContact O-NE 3.16Å; E162-R165 IonicContact OE2-CZ 2.86Å; E162-R165 IonicContact OE2-NH2 3.87Å; E162-R165 PolarHBondContact OE2-NH2 3.41Å; R165-A168 PolarHBondContact O-N 3.3Å; R165-A169 WeakPolarHBondContact O-CB 3.44Å; R165-A169 PolarHBondContact O-N 2.99Å
166	T	96.8	Very high	96.5	Very high	22 Å²	22	76.5 Å²	76.5	14%	0.135	39%	0.385	C	S	.	.	H	α-helix	trans	-67.4	-39.4	179.3	-55.4	0	0	0	0	111.5	E162 I163 A164 A169 F170 V178 F182	E162-T166 VanDerWaalsContact O-CB 3.28Å; E162-T166 WeakPolarHBondContact O-CB 3.42Å; E162-T166 PolarHBondContact O-N 2.89Å; E162-T166 PolarHBondContact O-OG1 3.43Å; I163-T166 PolarHBondContact O-N 2.95Å; A164-T166 PolarHBondContact O-N 2.82Å; T166-A169 PolarHBondContact O-N 3.16Å; T166-F170 WeakPolarHBondContact O-CB 3.41Å; T166-F170 PolarHBondContact O-N 2.83Å; T166-V178 HydrophobicContact CG2-CG1 4.14Å; T166-V178 HydrophobicContact CG2-CG2 4.36Å; T166-F182 HydrophobicContact CG2-CD1 4.31Å; T166-F182 HydrophobicContact CG2-CD2 3.65Å; T166-F182 HydrophobicContact CG2-CE1 4.43Å; T166-F182 HydrophobicContact CG2-CE2 3.78Å; T166-F182 HydrophobicContact CG2-CG 3.92Å; T166-F182 HydrophobicContact CG2-CZ 4.16Å; T166-F182 WeakPolarHBondContact OG1-CD2 3.34Å
167	S	97.9	Very high	96.3	Very high	61 Å²	61	83.9 Å²	83.9	43%	0.427	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-46.1	175.1	-174.5	0	0	0	0	111.9	I163 A164 F170 R171	I163-S167 VanDerWaalsContact O-CB 3.26Å; I163-S167 WeakPolarHBondContact O-CB 3.45Å; I163-S167 PolarHBondContact O-N 3.24Å; A164-S167 PolarHBondContact O-N 3.04Å; S167-F170 PolarHBondContact O-N 3.45Å; S167-R171 WeakPolarHBondContact O-CG 3.44Å; S167-R171 PolarHBondContact O-N 2.8Å
168	A	97.5	Very high	96.3	Very high	41 Å²	41	84 Å²	84	34%	0.339	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-48.3	175.4	0	0	0	0	0	111.5	A164 R165 F170 R171 E172	A164-A168 PolarHBondContact O-N 3.31Å; R165-A168 PolarHBondContact O-N 3.3Å; A168-F170 VanDerWaalsContact C-N 3.32Å; A168-F170 PolarHBondContact O-N 3.06Å; A168-R171 PolarHBondContact O-N 3.36Å; A168-R171 VanDerWaalsContact O-N 3.17Å; A168-E172 WeakPolarHBondContact O-CG 3.46Å; A168-E172 PolarHBondContact O-N 3.02Å
169	A	97.2	Very high	96.3	Very high	27 Å²	27	84 Å²	84	22%	0.223	41%	0.414	C	S	.	.	H	α-helix	trans	-59.9	-39.9	178.1	0	0	0	0	0	112.8	R165 T166 K173 R177	R165-A169 WeakPolarHBondContact O-CB 3.44Å; R165-A169 PolarHBondContact O-N 2.99Å; T166-A169 PolarHBondContact O-N 3.16Å; A169-K173 WeakPolarHBondContact O-CB 3.37Å; A169-K173 PolarHBondContact O-N 2.93Å; A169-R177 HydrophobicContact CB-CB 4.37Å
170	F	98.1	Very high	96.4	Very high	107 Å²	107	88.9 Å²	88.9	47%	0.469	45%	0.445	S	S	.	.	H	α-helix	trans	-63.6	-44.2	175.5	173.4	-112.8	0	0	0	112	T166 S167 A168 G174 V178	T166-F170 WeakPolarHBondContact O-CB 3.41Å; T166-F170 PolarHBondContact O-N 2.83Å; S167-F170 PolarHBondContact O-N 3.45Å; A168-F170 VanDerWaalsContact C-N 3.32Å; A168-F170 PolarHBondContact O-N 3.06Å; F170-G174 WeakPolarHBondContact O-CA 3.23Å; F170-G174 PolarHBondContact O-N 3.05Å; F170-V178 HydrophobicContact CB-CG2 3.99Å; F170-V178 HydrophobicContact CD2-CG2 3.86Å; F170-V178 HydrophobicContact CG-CG2 4.26Å
171	R	98.2	Very high	96.4	Very high	209 Å²	209	90.9 Å²	90.9	79%	0.789	45%	0.452	S	S	*	.	H	α-helix	trans	-65.7	-40.6	179	-72.2	175.7	64.1	172.1	-0.2	112.7	S167 A168	S167-R171 WeakPolarHBondContact O-CG 3.44Å; S167-R171 PolarHBondContact O-N 2.8Å; A168-R171 PolarHBondContact O-N 3.36Å; A168-R171 VanDerWaalsContact O-N 3.17Å
172	E	97.9	Very high	96.6	Very high	145 Å²	145	90.3 Å²	90.3	68%	0.678	45%	0.447	S	S	*	.	H	α-helix	trans	-80.5	-37	-176.1	-70.3	174.2	-172.4	0	0	113.2	A168	A168-E172 WeakPolarHBondContact O-CG 3.46Å; A168-E172 PolarHBondContact O-N 3.02Å
173	K	97.5	Very high	96.8	Very high	134 Å²	134	93.5 Å²	93.5	58%	0.583	47%	0.468	S	S	*	.	H	α-helix	trans	-127.6	0.4	-165.2	-60.4	174.3	-172.8	171.6	0	113.6	A169 R177	A169-K173 WeakPolarHBondContact O-CB 3.37Å; A169-K173 PolarHBondContact O-N 2.93Å; K173-R177 HydrophobicContact CB-CB 4.24Å; K173-R177 HydrophobicContact CB-CG 3.39Å; K173-R177 HydrophobicContact CD-CG 4.03Å; K173-R177 HydrophobicContact CG-CG 4.33Å
174	G	97.4	Very high	96.7	Very high	30 Å²	30	93 Å²	93	31%	0.309	47%	0.468	S	S	.	.			trans	78.6	-173.6	173.7	0	0	0	0	0	115.3	F170 N176 R177	F170-G174 WeakPolarHBondContact O-CA 3.23Å; F170-G174 PolarHBondContact O-N 3.05Å; G174-N176 VanDerWaalsContact C-N 3.34Å; G174-N176 PolarHBondContact O-N 2.77Å; G174-R177 PolarHBondContact O-N 2.82Å
175	Y	97.3	Very high	96.7	Very high	187 Å²	187	93.4 Å²	93.4	73%	0.733	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-50.6	-43.9	-172.1	174	-104.5	0	0	0	114.6	R177 V178	Y175-R177 PolarHBondContact O-N 3.21Å; Y175-V178 PolarHBondContact O-N 3.5Å
176	N	96.9	Very high	96.8	Very high	146 Å²	146	87.3 Å²	87.3	78%	0.781	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-66.8	-7.5	-174.2	-65.7	-24.3	0	0	0	114.6	G174	G174-N176 VanDerWaalsContact C-N 3.34Å; G174-N176 PolarHBondContact O-N 2.77Å
177	R	95.3	Very high	96.8	Very high	165 Å²	165	90 Å²	90	62%	0.623	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-92.2	-7.9	173.5	-68.9	-51.8	-171.4	161.2	-2.6	114.2	A169 K173 G174 Y175 S179	A169-R177 HydrophobicContact CB-CB 4.37Å; K173-R177 HydrophobicContact CB-CB 4.24Å; K173-R177 HydrophobicContact CB-CG 3.39Å; K173-R177 HydrophobicContact CD-CG 4.03Å; K173-R177 HydrophobicContact CG-CG 4.33Å; G174-R177 PolarHBondContact O-N 2.82Å; Y175-R177 PolarHBondContact O-N 3.21Å; R177-S179 PolarHBondContact O-N 3.33Å
178	V	97.1	Very high	96.8	Very high	48 Å²	48	88.5 Å²	88.5	29%	0.291	44%	0.44	S	S	.	.	S	Bend	trans	-78.2	120.2	173.3	-176	0	0	0	0	108.4	T166 F170 Y175 F182	T166-V178 HydrophobicContact CG2-CG1 4.14Å; T166-V178 HydrophobicContact CG2-CG2 4.36Å; F170-V178 HydrophobicContact CB-CG2 3.99Å; F170-V178 HydrophobicContact CD2-CG2 3.86Å; F170-V178 HydrophobicContact CG-CG2 4.26Å; Y175-V178 PolarHBondContact O-N 3.5Å; V178-F182 HydrophobicContact CG1-CB 4.02Å; V178-F182 HydrophobicContact CG1-CD1 4.15Å; V178-F182 HydrophobicContact CG1-CG 4.28Å
179	S	95.6	Very high	96.9	Very high	48 Å²	48	89.9 Å²	89.9	34%	0.336	44%	0.442	S	S	.	.			trans	-62.8	138.9	176.1	177.2	0	0	0	0	110.5	R177 F181 F182	R177-S179 PolarHBondContact O-N 3.33Å; S179-F181 PolarHBondContact O-N 2.7Å; S179-F181 VanDerWaalsContact O-N 3.12Å; S179-F181 PolarHBondContact OG-N 3.41Å; S179-F181 VanDerWaalsContact OG-N 3.14Å; S179-F182 WeakPolarHBondContact O-CB 3.47Å; S179-F182 PolarHBondContact O-N 2.79Å
180	P	95.4	Very high	96.9	Very high	119 Å²	119	90.1 Å²	90.1	77%	0.773	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.6	169.1	-24.2	34.3	0	0	0	113.1	F182	P180-F182 VanDerWaalsContact C-N 3.34Å
181	F	95.7	Very high	96.9	Very high	99 Å²	99	85 Å²	85	43%	0.434	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.7	176.6	-60.2	-64.9	0	0	0	113.7	S179 V183 P184 R185	S179-F181 PolarHBondContact O-N 2.7Å; S179-F181 VanDerWaalsContact O-N 3.12Å; S179-F181 PolarHBondContact OG-N 3.41Å; S179-F181 VanDerWaalsContact OG-N 3.14Å; F181-V183 PolarHBondContact O-N 3.26Å; F181-P184 WeakPolarHBondContact O-CD 3.33Å; F181-R185 HydrophobicContact CB-CG 4.19Å; F181-R185 VanDerWaalsContact O-CB 3.24Å; F181-R185 WeakPolarHBondContact O-CB 3.32Å; F181-R185 WeakPolarHBondContact O-CG 3.41Å; F181-R185 PolarHBondContact O-N 2.97Å
182	F	96.8	Very high	97	Very high	39 Å²	39	75.1 Å²	75.1	17%	0.171	38%	0.379	C	S	.	.	H	α-helix	trans	-55	-52	-175.7	171.4	-116.1	0	0	0	112.4	I163 T166 V178 S179 P180 R185 I186	I163-F182 HydrophobicContact CG1-CE2 4.43Å; I163-F182 HydrophobicContact CG1-CZ 4.42Å; T166-F182 HydrophobicContact CG2-CD1 4.31Å; T166-F182 HydrophobicContact CG2-CD2 3.65Å; T166-F182 HydrophobicContact CG2-CE1 4.43Å; T166-F182 HydrophobicContact CG2-CE2 3.78Å; T166-F182 HydrophobicContact CG2-CG 3.92Å; T166-F182 HydrophobicContact CG2-CZ 4.16Å; T166-F182 WeakPolarHBondContact OG1-CD2 3.34Å; V178-F182 HydrophobicContact CG1-CB 4.02Å; V178-F182 HydrophobicContact CG1-CD1 4.15Å; V178-F182 HydrophobicContact CG1-CG 4.28Å; S179-F182 WeakPolarHBondContact O-CB 3.47Å; S179-F182 PolarHBondContact O-N 2.79Å; P180-F182 VanDerWaalsContact C-N 3.34Å; F182-R185 PolarHBondContact O-N 2.83Å; F182-I186 HydrophobicContact CD1-CD1 4.49Å; F182-I186 HydrophobicContact CD2-CG2 4.06Å; F182-I186 HydrophobicContact CE1-CD1 3.85Å; F182-I186 HydrophobicContact CE2-CD1 4.01Å; F182-I186 HydrophobicContact CE2-CG2 3.76Å; F182-I186 HydrophobicContact CZ-CD1 3.6Å; F182-I186 HydrophobicContact CZ-CG2 4.43Å; F182-I186 WeakPolarHBondContact O-CG1 3.16Å; F182-I186 PolarHBondContact O-N 3.34Å
183	V	96.9	Very high	97	Very high	83 Å²	83	68.6 Å²	68.6	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-52.4	-178.5	174.1	0	0	0	0	111.4	F181 R185 I186 L187	F181-V183 PolarHBondContact O-N 3.26Å; V183-R185 PolarHBondContact O-N 2.98Å; V183-I186 WeakPolarHBondContact O-CG1 3.3Å; V183-I186 PolarHBondContact O-N 3.28Å; V183-L187 HydrophobicContact CG1-CD1 3.94Å; V183-L187 HydrophobicContact CG1-CG 4.25Å; V183-L187 WeakPolarHBondContact O-CG 3.38Å; V183-L187 PolarHBondContact O-N 3.2Å
184	P	95.4	Very high	97.1	Very high	45 Å²	45	63.1 Å²	63.1	29%	0.292	33%	0.327	S	S	.	.	H	α-helix	trans	-56.1	-30.2	173.5	-26.8	34.3	0	0	0	114.5	F181 M190	F181-P184 WeakPolarHBondContact O-CD 3.33Å; P184-M190 HydrophobicContact CB-CE 4.27Å; P184-M190 WeakPolarHBondContact O-CB 3.39Å; P184-M190 WeakPolarHBondContact O-CG 3.37Å
185	R	95.6	Very high	97.1	Very high	51 Å²	51	61.7 Å²	61.7	19%	0.192	31%	0.313	C	S	.	.	H	α-helix	trans	-73.4	-31.1	-179.8	-78.4	177.4	83.2	-164.3	-25.5	114	N116 S117 M118 S119 E162 F181 F182 V183	N116-R185 VanDerWaalsContact O-CD 3.28Å; N116-R185 WeakPolarHBondContact O-CD 3.44Å; N116-R185 PolarHBondContact O-NE 2.94Å; N116-R185 PolarHBondContact O-NH1 3.41Å; S117-R185 WeakPolarHBondContact O-CG 3.3Å; M118-R185 PolarHBondContact O-NE 2.93Å; S119-R185 WeakPolarHBondContact CB-O 3.33Å; E162-R185 VanDerWaalsContact CD-NH2 3.3Å; E162-R185 IonicContact OE1-CZ 2.69Å; E162-R185 IonicContact OE1-NE 3.57Å; E162-R185 IonicContact OE1-NH1 3.59Å; E162-R185 PolarHBondContact OE1-NH1 3.34Å; E162-R185 IonicContact OE1-NH2 2.85Å; E162-R185 PolarHBondContact OE1-NH2 2.92Å; E162-R185 IonicContact OE2-NH2 3.23Å; E162-R185 PolarHBondContact OE2-NH2 2.94Å; F181-R185 HydrophobicContact CB-CG 4.19Å; F181-R185 VanDerWaalsContact O-CB 3.24Å; F181-R185 WeakPolarHBondContact O-CB 3.32Å; F181-R185 WeakPolarHBondContact O-CG 3.41Å; F181-R185 PolarHBondContact O-N 2.97Å; F182-R185 PolarHBondContact O-N 2.83Å; V183-R185 PolarHBondContact O-N 2.98Å
186	I	95.6	Very high	97.2	Very high	28 Å²	28	53.7 Å²	53.7	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-98.2	-13.3	-173.1	67.3	172.9	0	0	0	113.7	V158 E162 I163 F182 V183	V158-I186 VanDerWaalsContact CG1-O 3.3Å; V158-I186 WeakPolarHBondContact CG1-O 3.24Å; E162-I186 HydrophobicContact CB-CG2 4.25Å; E162-I186 HydrophobicContact CG-CG2 3.96Å; I163-I186 HydrophobicContact CD1-CD1 4.45Å; I163-I186 HydrophobicContact CG1-CB 4.39Å; I163-I186 HydrophobicContact CG1-CD1 4.2Å; I163-I186 HydrophobicContact CG1-CG2 3.98Å; F182-I186 HydrophobicContact CD1-CD1 4.49Å; F182-I186 HydrophobicContact CD2-CG2 4.06Å; F182-I186 HydrophobicContact CE1-CD1 3.85Å; F182-I186 HydrophobicContact CE2-CD1 4.01Å; F182-I186 HydrophobicContact CE2-CG2 3.76Å; F182-I186 HydrophobicContact CZ-CD1 3.6Å; F182-I186 HydrophobicContact CZ-CG2 4.43Å; F182-I186 WeakPolarHBondContact O-CG1 3.16Å; F182-I186 PolarHBondContact O-N 3.34Å; V183-I186 WeakPolarHBondContact O-CG1 3.3Å; V183-I186 PolarHBondContact O-N 3.28Å
187	L	98	Very high	97.3	Very high	77 Å²	77	52.7 Å²	52.7	40%	0.403	28%	0.278	S	S	.	.			trans	-70.3	130.7	-178.1	-77.5	173.7	0	0	0	111.4	V183 N189 M190	V183-L187 HydrophobicContact CG1-CD1 3.94Å; V183-L187 HydrophobicContact CG1-CG 4.25Å; V183-L187 WeakPolarHBondContact O-CG 3.38Å; V183-L187 PolarHBondContact O-N 3.2Å; L187-N189 VanDerWaalsContact C-N 3.3Å; L187-N189 PolarHBondContact O-N 2.95Å; L187-M190 HydrophobicContact CB-CG 3.65Å; L187-M190 WeakPolarHBondContact O-CB 3.49Å; L187-M190 PolarHBondContact O-N 2.93Å; L187-M190 VanDerWaalsContact O-N 3.14Å
188	V	97.9	Very high	97.4	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.182	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-43.6	-177.2	174.4	0	0	0	0	112.6	M155 V158 M190	M155-V188 HydrophobicContact CB-CG1 3.83Å; M155-V188 HydrophobicContact CE-CB 4.38Å; M155-V188 HydrophobicContact CE-CG2 4.38Å; M155-V188 VanDerWaalsContact O-CG1 3.26Å; M155-V188 WeakPolarHBondContact O-CG1 3.35Å; V158-V188 HydrophobicContact CG1-CG2 3.81Å; V188-M190 PolarHBondContact O-N 2.94Å; V188-M190 VanDerWaalsContact O-N 3.16Å
189	N	98.6	Very high	97.5	Very high	71 Å²	71	48.3 Å²	48.3	38%	0.38	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.6	-175.3	74.7	-63.8	0	0	0	114.2	L187 A191 A192 G193 S207	L187-N189 VanDerWaalsContact C-N 3.3Å; L187-N189 PolarHBondContact O-N 2.95Å; N189-A191 VanDerWaalsContact C-N 3.25Å; N189-A191 PolarHBondContact O-N 2.89Å; N189-A192 PolarHBondContact O-N 3.24Å; N189-G193 PolarHBondContact O-N 3Å; N189-S207 WeakPolarHBondContact CA-OG 3.5Å
190	M	98.4	Very high	97.6	Very high	32 Å²	32	47.2 Å²	47.2	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-74	-17.6	-173.4	-70.5	-66.3	-52.6	0	0	112.7	P184 L187 V188 G193 H194	P184-M190 HydrophobicContact CB-CE 4.27Å; P184-M190 WeakPolarHBondContact O-CB 3.39Å; P184-M190 WeakPolarHBondContact O-CG 3.37Å; L187-M190 HydrophobicContact CB-CG 3.65Å; L187-M190 WeakPolarHBondContact O-CB 3.49Å; L187-M190 PolarHBondContact O-N 2.93Å; L187-M190 VanDerWaalsContact O-N 3.14Å; V188-M190 PolarHBondContact O-N 2.94Å; V188-M190 VanDerWaalsContact O-N 3.16Å; M190-G193 PolarHBondContact O-N 3.47Å; M190-H194 WeakPolarHBondContact O-CB 3.42Å; M190-H194 PolarHBondContact O-CD2 3.41Å; M190-H194 PolarHBondContact O-N 3.29Å
191	A	98.6	Very high	97.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.7	-55.4	164.2	0	0	0	0	0	111.4	A125 V153 N189 G193 H194 I195 T239	A125-A191 HydrophobicContact CB-CB 3.93Å; V153-A191 HydrophobicContact CG1-CB 4.06Å; N189-A191 VanDerWaalsContact C-N 3.25Å; N189-A191 PolarHBondContact O-N 2.89Å; A191-G193 VanDerWaalsContact C-N 3.34Å; A191-G193 PolarHBondContact O-N 3.35Å; A191-H194 PolarHBondContact O-N 2.85Å; A191-I195 WeakPolarHBondContact O-CD1 3.47Å; A191-I195 VanDerWaalsContact O-CG1 3.3Å; A191-I195 WeakPolarHBondContact O-CG1 3.38Å; A191-I195 PolarHBondContact O-N 3.22Å; A191-T239 HydrophobicContact CB-CG2 3.8Å
192	A	98.9	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-41	176	0	0	0	0	0	112.1	V151 V153 N189 I195 S196 H206	V151-A192 HydrophobicContact CB-CB 4.47Å; V151-A192 HydrophobicContact CG1-CB 3.79Å; V153-A192 HydrophobicContact CB-CB 4.28Å; N189-A192 PolarHBondContact O-N 3.24Å; A192-I195 PolarHBondContact O-N 2.81Å; A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 3.29Å; A192-H206 WeakPolarHBondContact CB-O 3.25Å
193	G	98.8	Very high	98	Very high	8 Å²	8	42.5 Å²	42.5	8%	0.082	23%	0.228	C	C	.	.	H	α-helix	trans	-57.9	-49.8	176.7	0	0	0	0	0	113.3	N189 M190 A191 I195 S196 I197	N189-G193 PolarHBondContact O-N 3Å; M190-G193 PolarHBondContact O-N 3.47Å; A191-G193 VanDerWaalsContact C-N 3.34Å; A191-G193 PolarHBondContact O-N 3.35Å; G193-I195 PolarHBondContact O-N 3.03Å; G193-S196 PolarHBondContact O-N 2.93Å; G193-I197 WeakPolarHBondContact O-CB 3.18Å; G193-I197 WeakPolarHBondContact O-CD1 3.49Å; G193-I197 VanDerWaalsContact O-CG1 3.24Å; G193-I197 WeakPolarHBondContact O-CG1 3.45Å; G193-I197 PolarHBondContact O-N 3.17Å
194	H	98.8	Very high	98.1	Very high	19 Å²	19	40 Å²	40	9%	0.088	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-37.4	179.7	-83.1	-73.9	0	0	0	112.7	S117 M118 T122 M190 A191 I197 K198	S117-H194 PolarHBondContact OG-CE1 3.19Å; M118-H194 HydrophobicContact CE-CB 4.15Å; M118-H194 VanDerWaalsContact CE-ND1 3.29Å; M118-H194 WeakPolarHBondContact CE-ND1 3.44Å; T122-H194 HydrophobicContact CG2-CB 3.96Å; T122-H194 WeakPolarHBondContact CG2-CD2 3.23Å; M190-H194 WeakPolarHBondContact O-CB 3.42Å; M190-H194 PolarHBondContact O-CD2 3.41Å; M190-H194 PolarHBondContact O-N 3.29Å; A191-H194 PolarHBondContact O-N 2.85Å; H194-I197 PolarHBondContact O-N 2.88Å; H194-K198 VanDerWaalsContact O-CB 3.27Å; H194-K198 WeakPolarHBondContact O-CB 3.41Å; H194-K198 PolarHBondContact O-N 3.47Å
195	I	98.8	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-48.2	173.8	-67.6	163.9	0	0	0	110.3	A125 L126 A129 V151 V153 A191 A192 G193 I197 K198 H199 L201 V235	A125-I195 HydrophobicContact CB-CD1 4.2Å; L126-I195 HydrophobicContact CD1-CG1 4.04Å; A129-I195 HydrophobicContact CB-CB 4.47Å; A129-I195 HydrophobicContact CB-CD1 3.71Å; A129-I195 HydrophobicContact CB-CG1 3.75Å; A129-I195 HydrophobicContact CB-CG2 3.87Å; V151-I195 HydrophobicContact CG1-CB 4.1Å; V151-I195 HydrophobicContact CG1-CD1 4.48Å; V151-I195 HydrophobicContact CG1-CG2 3.91Å; V151-I195 HydrophobicContact CG2-CG2 3.99Å; V153-I195 HydrophobicContact CB-CD1 4.3Å; V153-I195 HydrophobicContact CG1-CD1 4.43Å; V153-I195 HydrophobicContact CG2-CD1 3.8Å; A191-I195 WeakPolarHBondContact O-CD1 3.47Å; A191-I195 VanDerWaalsContact O-CG1 3.3Å; A191-I195 WeakPolarHBondContact O-CG1 3.38Å; A191-I195 PolarHBondContact O-N 3.22Å; A192-I195 PolarHBondContact O-N 2.81Å; G193-I195 PolarHBondContact O-N 3.03Å; I195-I197 PolarHBondContact O-N 2.82Å; I195-K198 PolarHBondContact O-N 2.72Å; I195-H199 PolarHBondContact O-CD2 2.93Å; I195-H199 PolarHBondContact O-N 3.48Å; I195-H199 VanDerWaalsContact O-N 3.09Å; I195-L201 HydrophobicContact CG2-CD1 4.22Å; I195-V235 HydrophobicContact CG2-CB 4.48Å; I195-V235 HydrophobicContact CG2-CG1 3.92Å
196	S	98.9	Very high	98.4	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-46.9	176.7	165.5	0	0	0	0	111.7	A192 G193 G200 L201 N205	A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 3.29Å; G193-S196 PolarHBondContact O-N 2.93Å; S196-G200 CarbonylContact O-C 3.56Å; S196-G200 WeakPolarHBondContact O-CA 3.38Å; S196-G200 PolarHBondContact O-N 2.83Å; S196-L201 PolarHBondContact O-N 2.88Å; S196-L201 PolarHBondContact OG-O 2.8Å; S196-N205 WeakPolarHBondContact CB-ND2 3.47Å
197	I	98.6	Very high	98.6	Very high	125 Å²	125	42.5 Å²	42.5	64%	0.641	23%	0.228	S	C	*	.	H	α-helix	trans	-63.6	-46.9	178.6	-69	163.3	0	0	0	111.4	G193 H194 I195 H199	G193-I197 WeakPolarHBondContact O-CB 3.18Å; G193-I197 WeakPolarHBondContact O-CD1 3.49Å; G193-I197 VanDerWaalsContact O-CG1 3.24Å; G193-I197 WeakPolarHBondContact O-CG1 3.45Å; G193-I197 PolarHBondContact O-N 3.17Å; H194-I197 PolarHBondContact O-N 2.88Å; I195-I197 PolarHBondContact O-N 2.82Å; I197-H199 PolarHBondContact O-N 2.78Å
198	K	98.1	Very high	98.6	Very high	75 Å²	75	39.8 Å²	39.8	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-41.4	-175	-175	66.3	163.1	-172.8	0	112.6	F109 E114 L126 H194 I195	F109-K198 WeakPolarHBondContact O-CE 3.44Å; E114-K198 IonicContact OE1-NZ 2.77Å; E114-K198 PolarHBondContact OE1-NZ 2.97Å; E114-K198 IonicContact OE2-NZ 3Å; E114-K198 PolarHBondContact OE2-NZ 2.92Å; E114-K198 VanDerWaalsContact OE2-NZ 3.12Å; L126-K198 HydrophobicContact CD1-CB 3.72Å; L126-K198 HydrophobicContact CD1-CG 3.95Å; H194-K198 VanDerWaalsContact O-CB 3.27Å; H194-K198 WeakPolarHBondContact O-CB 3.41Å; H194-K198 PolarHBondContact O-N 3.47Å; I195-K198 PolarHBondContact O-N 2.72Å
199	H	98.2	Very high	98.7	Very high	45 Å²	45	41.3 Å²	41.3	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-103.9	3.7	-173.7	-59	-72.9	0	0	0	113.1	L133 I195 I197 L201	L133-H199 HydrophobicContact CD1-CB 4.22Å; I195-H199 PolarHBondContact O-CD2 2.93Å; I195-H199 PolarHBondContact O-N 3.48Å; I195-H199 VanDerWaalsContact O-N 3.09Å; I197-H199 PolarHBondContact O-N 2.78Å; H199-L201 VanDerWaalsContact C-N 3.32Å; H199-L201 HydrophobicContact CB-CD1 4.06Å; H199-L201 HydrophobicContact CB-CD2 3.91Å; H199-L201 HydrophobicContact CB-CG 3.76Å; H199-L201 WeakPolarHBondContact O-CD2 3.28Å; H199-L201 PolarHBondContact O-N 2.84Å
200	G	98.4	Very high	98.7	Very high	25 Å²	25	39.7 Å²	39.7	26%	0.258	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	30	178.8	0	0	0	0	0	113.9	H146 S196 K202	H146-G200 WeakPolarHBondContact CB-O 3.48Å; H146-G200 PolarHBondContact ND1-O 3.46Å; S196-G200 CarbonylContact O-C 3.56Å; S196-G200 WeakPolarHBondContact O-CA 3.38Å; S196-G200 PolarHBondContact O-N 2.83Å; G200-K202 PolarHBondContact O-N 3.18Å
201	L	98.8	Very high	98.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.224	C	C	.	.			trans	-83	116.8	-175.1	-46.4	179.7	0	0	0	109.3	P140 T149 V151 I195 S196 H199 V235	P140-L201 HydrophobicContact CG-CD2 3.91Å; T149-L201 HydrophobicContact CG2-CB 4.5Å; T149-L201 HydrophobicContact CG2-CD1 4.2Å; T149-L201 HydrophobicContact CG2-CD2 3.7Å; T149-L201 HydrophobicContact CG2-CG 4.33Å; T149-L201 WeakPolarHBondContact O-CB 3.46Å; V151-L201 HydrophobicContact CG2-CB 3.86Å; V151-L201 HydrophobicContact CG2-CD1 3.53Å; V151-L201 HydrophobicContact CG2-CG 4.28Å; I195-L201 HydrophobicContact CG2-CD1 4.22Å; S196-L201 PolarHBondContact O-N 2.88Å; S196-L201 PolarHBondContact OG-O 2.8Å; H199-L201 VanDerWaalsContact C-N 3.32Å; H199-L201 HydrophobicContact CB-CD1 4.06Å; H199-L201 HydrophobicContact CB-CD2 3.91Å; H199-L201 HydrophobicContact CB-CG 3.76Å; H199-L201 WeakPolarHBondContact O-CD2 3.28Å; H199-L201 PolarHBondContact O-N 2.84Å; L201-V235 HydrophobicContact CD1-CB 4.28Å; L201-V235 HydrophobicContact CD1-CG2 3.65Å
202	K	98.8	Very high	98.7	Very high	141 Å²	141	40 Å²	40	61%	0.613	23%	0.227	S	C	*	.			trans	-115.8	4.6	-168.4	-63.4	178.4	-174.1	175.8	0	113.8	H146 L147 T149 G200	H146-K202 HydrophobicContact CB-CD 4.38Å; H146-K202 WeakPolarHBondContact O-CA 3.41Å; H146-K202 WeakPolarHBondContact O-CB 3.21Å; H146-K202 PolarHBondContact O-N 2.77Å; L147-K202 HydrophobicContact CD2-CB 4.05Å; T149-K202 PolarHBondContact O-N 3.01Å; G200-K202 PolarHBondContact O-N 3.18Å
203	G	98.8	Very high	98.6	Very high	16 Å²	16	40 Å²	40	17%	0.165	23%	0.227	C	C	.	.	S	Bend	trans	-72.2	-160.2	169.5	0	0	0	0	0	112.6	H146 L147 T149 N205	H146-G203 PolarHBondContact O-N 3Å; L147-G203 WeakPolarHBondContact O-CA 3.4Å; L147-G203 PolarHBondContact O-N 3Å; T149-G203 WeakPolarHBondContact O-CA 3.46Å; T149-G203 PolarHBondContact O-N 2.91Å; G203-N205 PolarHBondContact O-N 2.78Å
204	P	98.8	Very high	98.7	Very high	31 Å²	31	39.7 Å²	39.7	20%	0.201	22%	0.223	C	C	.	.			trans	-51.4	124.3	177	-26.2	34.7	0	0	0	111.5	G150 V151 D230 A231 M234	G150-P204 CarbonylContact C-O 3.47Å; G150-P204 WeakPolarHBondContact CA-O 3.33Å; V151-P204 PolarHBondContact N-O 3.05Å; V151-P204 VanDerWaalsContact O-O 3.11Å; P204-D230 WeakPolarHBondContact CD-O 3.47Å; P204-D230 HydrophobicContact CG-CB 3.92Å; P204-A231 HydrophobicContact CG-CB 4.26Å; P204-M234 HydrophobicContact CB-CE 4.2Å; P204-M234 HydrophobicContact CB-SD 4.38Å; P204-M234 HydrophobicContact CG-SD 4.42Å
205	N	98.9	Very high	98.7	Very high	82 Å²	82	38.8 Å²	38.8	44%	0.439	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.9	175.7	-173	-18.9	0	0	0	108.7	V151 S196 G203	V151-N205 WeakPolarHBondContact O-CA 3.19Å; S196-N205 WeakPolarHBondContact CB-ND2 3.47Å; G203-N205 PolarHBondContact O-N 2.78Å
206	H	98.9	Very high	98.7	Very high	63 Å²	63	38.8 Å²	38.8	29%	0.292	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.5	-168.2	-172.5	-117	0	0	0	111.2	V151 A152 V153 A192 V208 D221 F225	V151-H206 PolarHBondContact O-N 3.01Å; A152-H206 WeakPolarHBondContact CA-O 3.17Å; A152-H206 HydrophobicContact CB-CB 4.24Å; V153-H206 PolarHBondContact N-O 3.33Å; A192-H206 WeakPolarHBondContact CB-O 3.25Å; H206-V208 WeakPolarHBondContact CE1-CG1 3.49Å; H206-D221 IonicContact CE1-OD2 3.96Å; H206-F225 HydrophobicContact CB-CE2 4.08Å; H206-F225 HydrophobicContact CB-CZ 4.49Å
207	S	98.8	Very high	98.7	Very high	30 Å²	30	38.4 Å²	38.4	21%	0.21	22%	0.215	C	C	.	.			trans	-150	126.7	173.8	175.5	0	0	0	0	109.6	V153 N189	V153-S207 PolarHBondContact O-OG 3.4Å; N189-S207 WeakPolarHBondContact CA-OG 3.5Å
208	V	98.8	Very high	98.7	Very high	20 Å²	20	32.4 Å²	32.4	12%	0.121	18%	0.184	C	C	.	.			trans	-101.5	157.8	172.5	-64.3	0	0	0	0	110.9	G154 M155 H206 T214 H217 A218 D221	G154-V208 WeakPolarHBondContact CA-O 3.41Å; M155-V208 PolarHBondContact N-O 3.46Å; H206-V208 WeakPolarHBondContact CE1-CG1 3.49Å; V208-T214 HydrophobicContact CG2-CG2 4.15Å; V208-T214 WeakPolarHBondContact CG2-O 3.3Å; V208-T214 WeakPolarHBondContact O-CG2 3.33Å; V208-H217 HydrophobicContact CG2-CB 4.07Å; V208-A218 HydrophobicContact CG2-CB 3.88Å; V208-D221 WeakPolarHBondContact CG1-OD2 3.48Å
209	S	98.7	Very high	98.7	Very high	63 Å²	63	28.9 Å²	28.9	44%	0.441	17%	0.169	S	C	.	.			trans	-144.5	97.4	172	-162	0	0	0	0	108.5	M155 G156	M155-S209 WeakPolarHBondContact O-CB 3.5Å; M155-S209 PolarHBondContact O-OG 3.24Å; G156-S209 PolarHBondContact O-OG 2.94Å
210	T	98.7	Very high	98.8	Very high	37 Å²	37	26.8 Å²	26.8	23%	0.227	16%	0.159	C	C	.	.			trans	-134.4	45.1	-172.8	46.5	0	0	0	0	110	C212 T213 T214 H217 T455	T210-C212 PolarHBondContact O-N 3.24Å; T210-T213 WeakPolarHBondContact O-CB 3.43Å; T210-T213 PolarHBondContact O-N 3.38Å; T210-T213 VanDerWaalsContact O-N 3.08Å; T210-T214 PolarHBondContact N-OG1 2.86Å; T210-T214 VanDerWaalsContact OG1-CA 3.29Å; T210-T214 WeakPolarHBondContact OG1-CA 3.21Å; T210-T214 PolarHBondContact OG1-N 3.11Å; T210-H217 WeakPolarHBondContact CB-ND1 3.45Å; T210-H217 PolarHBondContact OG1-ND1 3.25Å; T210-T455 WeakPolarHBondContact O-CG2 3.26Å
211	A	98.4	Very high	98.8	Very high	29 Å²	29	27.4 Å²	27.4	24%	0.24	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	50.8	-129	-176.6	0	0	0	0	0	111.4	T213 T214 F452	A211-T213 PolarHBondContact O-N 2.96Å; A211-T214 PolarHBondContact N-OG1 2.93Å; A211-T214 VanDerWaalsContact O-CB 3.29Å; A211-T214 WeakPolarHBondContact O-CB 3.27Å; A211-T214 PolarHBondContact O-N 3.01Å; A211-T214 PolarHBondContact O-OG1 3.39Å; A211-F452 HydrophobicContact CB-CB 4.19Å
212	C	98.3	Very high	98.8	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.068	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-66.5	-15.1	-177.1	-47.2	0	0	0	0	114.2	T210 H390 L392 F450	T210-C212 PolarHBondContact O-N 3.24Å; C212-H390 PolarHBondContact SG-NE2 2.82Å; C212-L392 WeakPolarHBondContact CA-O 3.29Å; C212-F450 WeakPolarHBondContact CB-O 3.17Å
213	T	98.7	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-89.5	-9.5	-177.9	-46.3	0	0	0	0	112.6	T210 A211 G215 S216 H217 S449 G451 T455 A457	T210-T213 WeakPolarHBondContact O-CB 3.43Å; T210-T213 PolarHBondContact O-N 3.38Å; T210-T213 VanDerWaalsContact O-N 3.08Å; A211-T213 PolarHBondContact O-N 2.96Å; T213-G215 PolarHBondContact O-N 3.31Å; T213-S216 PolarHBondContact O-N 3.18Å; T213-S216 VanDerWaalsContact O-N 3.1Å; T213-H217 VanDerWaalsContact CG2-CE1 3.41Å; T213-H217 WeakPolarHBondContact CG2-CE1 3.15Å; T213-H217 PolarHBondContact O-N 3.33Å; T213-S449 WeakPolarHBondContact CG2-O 3.42Å; T213-S449 PolarHBondContact OG1-O 3.49Å; T213-G451 WeakPolarHBondContact OG1-CA 3.29Å; T213-G451 PolarHBondContact OG1-N 3.12Å; T213-T455 PolarHBondContact OG1-O 3.17Å; T213-A457 HydrophobicContact CG2-CB 3.29Å
214	T	98.9	Very high	98.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-48	-53.6	-173.8	-62.3	0	0	0	0	114	G154 V208 T210 A211 S216 H217 A218 G393	G154-T214 VanDerWaalsContact CA-CG2 3.46Å; V208-T214 HydrophobicContact CG2-CG2 4.15Å; V208-T214 WeakPolarHBondContact CG2-O 3.3Å; V208-T214 WeakPolarHBondContact O-CG2 3.33Å; T210-T214 PolarHBondContact N-OG1 2.86Å; T210-T214 VanDerWaalsContact OG1-CA 3.29Å; T210-T214 WeakPolarHBondContact OG1-CA 3.21Å; T210-T214 PolarHBondContact OG1-N 3.11Å; A211-T214 PolarHBondContact N-OG1 2.93Å; A211-T214 VanDerWaalsContact O-CB 3.29Å; A211-T214 WeakPolarHBondContact O-CB 3.27Å; A211-T214 PolarHBondContact O-N 3.01Å; A211-T214 PolarHBondContact O-OG1 3.39Å; T214-S216 PolarHBondContact O-N 2.84Å; T214-H217 PolarHBondContact O-N 3.34Å; T214-A218 WeakPolarHBondContact O-CB 3.38Å; T214-A218 PolarHBondContact O-N 2.83Å; T214-G393 WeakPolarHBondContact CB-O 3.36Å
215	G	98.9	Very high	98.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-37.8	-178.5	0	0	0	0	0	113.7	T213 A218 I219 G393	T213-G215 PolarHBondContact O-N 3.31Å; G215-A218 PolarHBondContact O-N 3.38Å; G215-I219 WeakPolarHBondContact O-CG1 3.44Å; G215-I219 PolarHBondContact O-N 2.95Å; G215-I219 VanDerWaalsContact O-N 3.15Å; G215-G393 PolarHBondContact N-O 3.42Å
216	S	98.9	Very high	98.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.2	-41.7	177.7	-69.3	0	0	0	0	111.9	T213 T214 I219 G220 G396 S449	T213-S216 PolarHBondContact O-N 3.18Å; T213-S216 VanDerWaalsContact O-N 3.1Å; T214-S216 PolarHBondContact O-N 2.84Å; S216-I219 PolarHBondContact O-N 3.26Å; S216-G220 PolarHBondContact O-N 2.91Å; S216-G396 WeakPolarHBondContact OG-CA 3.23Å; S216-S449 PolarHBondContact OG-OG 2.93Å
217	H	98.9	Very high	98.8	Very high	12 Å²	12	21 Å²	21	6%	0.056	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-43.2	173	-76.5	154.1	0	0	0	111.8	V208 T210 T213 T214 I219 G220 D221 Y310 T455	V208-H217 HydrophobicContact CG2-CB 4.07Å; T210-H217 WeakPolarHBondContact CB-ND1 3.45Å; T210-H217 PolarHBondContact OG1-ND1 3.25Å; T213-H217 VanDerWaalsContact CG2-CE1 3.41Å; T213-H217 WeakPolarHBondContact CG2-CE1 3.15Å; T213-H217 PolarHBondContact O-N 3.33Å; T214-H217 PolarHBondContact O-N 3.34Å; H217-I219 VanDerWaalsContact C-N 3.33Å; H217-I219 PolarHBondContact O-N 3.08Å; H217-G220 PolarHBondContact O-N 3.45Å; H217-D221 VanDerWaalsContact O-CB 3.28Å; H217-D221 WeakPolarHBondContact O-CB 3.34Å; H217-D221 PolarHBondContact O-N 3.4Å; H217-Y310 VanDerWaalsContact CA-OH 3.32Å; H217-Y310 WeakPolarHBondContact CA-OH 3.43Å; H217-Y310 AromaticContact CD2-CE2 3.94Å; H217-Y310 AromaticContact CD2-CZ 3.91Å; H217-Y310 PolarHBondContact CD2-OH 2.97Å; H217-Y310 PolarHBondContact O-OH 3.07Å; H217-T455 PolarHBondContact CE1-OG1 2.96Å
218	A	98.9	Very high	98.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-47	178.9	0	0	0	0	0	111.9	V208 T214 G215 A222 T236 G237	V208-A218 HydrophobicContact CG2-CB 3.88Å; T214-A218 WeakPolarHBondContact O-CB 3.38Å; T214-A218 PolarHBondContact O-N 2.83Å; G215-A218 PolarHBondContact O-N 3.38Å; A218-A222 VanDerWaalsContact O-CB 3.24Å; A218-A222 WeakPolarHBondContact O-CB 3.25Å; A218-A222 PolarHBondContact O-N 3.13Å; A218-T236 PolarHBondContact O-OG1 2.81Å; A218-G237 WeakPolarHBondContact CB-O 3.48Å
219	I	98.9	Very high	98.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-45.6	177.6	-68.1	171.6	0	0	0	111.3	G215 S216 H217 A222 A223 T236 V288 L290 A397 A400 L459	G215-I219 WeakPolarHBondContact O-CG1 3.44Å; G215-I219 PolarHBondContact O-N 2.95Å; G215-I219 VanDerWaalsContact O-N 3.15Å; S216-I219 PolarHBondContact O-N 3.26Å; H217-I219 VanDerWaalsContact C-N 3.33Å; H217-I219 PolarHBondContact O-N 3.08Å; I219-A222 PolarHBondContact O-N 3.48Å; I219-A223 WeakPolarHBondContact O-CB 3.45Å; I219-A223 PolarHBondContact O-N 2.86Å; I219-T236 WeakPolarHBondContact CA-OG1 3.47Å; I219-T236 HydrophobicContact CG1-CG2 4.05Å; I219-T236 PolarHBondContact N-OG1 3.12Å; I219-V288 HydrophobicContact CD1-CG2 4.17Å; I219-V288 HydrophobicContact CG1-CG2 4.17Å; I219-L290 HydrophobicContact CG2-CD1 4.32Å; I219-A397 HydrophobicContact CD1-CB 4.05Å; I219-A400 HydrophobicContact CD1-CB 3.6Å; I219-L459 HydrophobicContact CB-CD1 3.98Å; I219-L459 HydrophobicContact CG2-CD1 3.72Å
220	G	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-46.8	178.2	0	0	0	0	0	112.3	S216 H217 A223 R224 Y310	S216-G220 PolarHBondContact O-N 2.91Å; H217-G220 PolarHBondContact O-N 3.45Å; G220-A223 WeakPolarHBondContact O-CB 3.43Å; G220-A223 PolarHBondContact O-N 2.84Å; G220-R224 WeakPolarHBondContact O-CG 3.32Å; G220-R224 PolarHBondContact O-N 2.99Å; G220-Y310 VanDerWaalsContact C-CD1 3.47Å; G220-Y310 VanDerWaalsContact CA-CD1 3.49Å
221	D	98.9	Very high	98.6	Very high	39 Å²	39	27.1 Å²	27.1	21%	0.209	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-41.3	177.7	-63.4	-9	0	0	0	111.1	H206 V208 H217 A223 R224 F225 Y310	H206-D221 IonicContact CE1-OD2 3.96Å; V208-D221 WeakPolarHBondContact CG1-OD2 3.48Å; H217-D221 VanDerWaalsContact O-CB 3.28Å; H217-D221 WeakPolarHBondContact O-CB 3.34Å; H217-D221 PolarHBondContact O-N 3.4Å; D221-A223 PolarHBondContact O-N 3.21Å; D221-R224 WeakPolarHBondContact O-CA 3.34Å; D221-R224 WeakPolarHBondContact O-CB 3.44Å; D221-R224 PolarHBondContact O-N 2.94Å; D221-R224 VanDerWaalsContact O-N 3.1Å; D221-F225 HydrophobicContact CB-CE2 4.35Å; D221-F225 WeakPolarHBondContact O-CD2 3.34Å; D221-F225 WeakPolarHBondContact O-CG 3.49Å; D221-F225 PolarHBondContact O-N 3.02Å; D221-Y310 VanDerWaalsContact OD1-CE1 3.27Å; D221-Y310 WeakPolarHBondContact OD1-CE1 3.32Å; D221-Y310 PolarHBondContact OD1-OH 2.84Å
222	A	98.9	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-43	173.5	0	0	0	0	0	112.7	A152 A218 I219 R224 F225 I226 M234 T236 L290	A152-A222 HydrophobicContact CB-CB 4.02Å; A218-A222 VanDerWaalsContact O-CB 3.24Å; A218-A222 WeakPolarHBondContact O-CB 3.25Å; A218-A222 PolarHBondContact O-N 3.13Å; I219-A222 PolarHBondContact O-N 3.48Å; A222-R224 VanDerWaalsContact C-N 3.28Å; A222-R224 PolarHBondContact O-N 3.39Å; A222-F225 PolarHBondContact O-N 2.96Å; A222-I226 PolarHBondContact O-N 3.23Å; A222-I226 VanDerWaalsContact O-N 3.11Å; A222-M234 HydrophobicContact CB-CB 3.88Å; A222-M234 HydrophobicContact CB-CE 4.36Å; A222-M234 HydrophobicContact CB-CG 4.22Å; A222-T236 HydrophobicContact CB-CG2 3.69Å; A222-T236 WeakPolarHBondContact CB-OG1 3.3Å; A222-L290 HydrophobicContact CB-CD1 3.82Å
223	A	98.9	Very high	98.7	Very high	8 Å²	8	26.6 Å²	26.6	7%	0.066	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-36.7	173.7	0	0	0	0	0	111.3	V47 I219 G220 D221 I226 A227 L290 V307	V47-A223 HydrophobicContact CB-CB 4.46Å; V47-A223 HydrophobicContact CG1-CB 4.14Å; V47-A223 HydrophobicContact CG2-CB 4.48Å; I219-A223 WeakPolarHBondContact O-CB 3.45Å; I219-A223 PolarHBondContact O-N 2.86Å; G220-A223 WeakPolarHBondContact O-CB 3.43Å; G220-A223 PolarHBondContact O-N 2.84Å; D221-A223 PolarHBondContact O-N 3.21Å; A223-I226 PolarHBondContact O-N 3.25Å; A223-A227 VanDerWaalsContact O-CB 3.25Å; A223-A227 WeakPolarHBondContact O-CB 3.48Å; A223-A227 PolarHBondContact O-N 3.29Å; A223-L290 HydrophobicContact CB-CD1 4.03Å; A223-V307 HydrophobicContact CB-CB 4.43Å; A223-V307 HydrophobicContact CB-CG1 3.97Å
224	R	98.7	Very high	98.7	Very high	115 Å²	115	26.6 Å²	26.6	43%	0.434	14%	0.141	S	C	.	.	H	α-helix	trans	-66.5	-42.3	174.3	-65.8	-59.3	-175.5	128.7	-5.7	112.9	G220 D221 A222 I226 A227 H228 Y310 D339	G220-R224 WeakPolarHBondContact O-CG 3.32Å; G220-R224 PolarHBondContact O-N 2.99Å; D221-R224 WeakPolarHBondContact O-CA 3.34Å; D221-R224 WeakPolarHBondContact O-CB 3.44Å; D221-R224 PolarHBondContact O-N 2.94Å; D221-R224 VanDerWaalsContact O-N 3.1Å; A222-R224 VanDerWaalsContact C-N 3.28Å; A222-R224 PolarHBondContact O-N 3.39Å; R224-I226 VanDerWaalsContact C-N 3.31Å; R224-I226 PolarHBondContact O-N 3.38Å; R224-A227 PolarHBondContact O-N 3.4Å; R224-H228 VanDerWaalsContact O-CB 3.22Å; R224-H228 WeakPolarHBondContact O-CB 3.4Å; R224-H228 PolarHBondContact O-N 3.44Å; R224-Y310 HydrophobicContact CG-CD1 4.11Å; R224-D339 IonicContact CZ-OD1 3.18Å; R224-D339 IonicContact CZ-OD2 3.83Å; R224-D339 IonicContact NE-OD2 3.73Å; R224-D339 IonicContact NH1-OD1 3.39Å; R224-D339 IonicContact NH2-OD1 2.72Å; R224-D339 PolarHBondContact NH2-OD1 3.27Å; R224-D339 IonicContact NH2-OD2 3.47Å; R224-D339 PolarHBondContact NH2-OD2 3.27Å
225	F	98.8	Very high	98.7	Very high	54 Å²	54	26.6 Å²	26.6	24%	0.237	14%	0.141	C	C	.	.	H	α-helix	trans	-58.3	-43.7	174.9	-68.5	-50.4	0	0	0	111.5	H206 D221 A222 H228 G229 D230 M234	H206-F225 HydrophobicContact CB-CE2 4.08Å; H206-F225 HydrophobicContact CB-CZ 4.49Å; D221-F225 HydrophobicContact CB-CE2 4.35Å; D221-F225 WeakPolarHBondContact O-CD2 3.34Å; D221-F225 WeakPolarHBondContact O-CG 3.49Å; D221-F225 PolarHBondContact O-N 3.02Å; A222-F225 PolarHBondContact O-N 2.96Å; F225-H228 PolarHBondContact O-N 3.29Å; F225-G229 PolarHBondContact O-N 3.5Å; F225-D230 HydrophobicContact CB-CB 4.14Å; F225-D230 HydrophobicContact CD1-CB 4.24Å; F225-D230 PolarHBondContact O-N 3.19Å; F225-M234 HydrophobicContact CD2-CE 3.93Å
226	I	98.8	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.1	-46	174.7	-61.8	170.8	0	0	0	110.7	R45 V47 A222 A223 R224 H228 A231 M234 L290 E292	R45-I226 PolarHBondContact NE-O 3.24Å; R45-I226 PolarHBondContact NH2-O 3Å; V47-I226 HydrophobicContact CG1-CB 4.45Å; V47-I226 HydrophobicContact CG1-CD1 4.02Å; V47-I226 HydrophobicContact CG1-CG2 4.49Å; V47-I226 HydrophobicContact CG2-CB 3.93Å; V47-I226 HydrophobicContact CG2-CG2 3.8Å; A222-I226 PolarHBondContact O-N 3.23Å; A222-I226 VanDerWaalsContact O-N 3.11Å; A223-I226 PolarHBondContact O-N 3.25Å; R224-I226 VanDerWaalsContact C-N 3.31Å; R224-I226 PolarHBondContact O-N 3.38Å; I226-H228 PolarHBondContact O-N 2.98Å; I226-H228 VanDerWaalsContact O-N 3.15Å; I226-A231 HydrophobicContact CG1-CB 4.43Å; I226-M234 HydrophobicContact CD1-CB 3.96Å; I226-M234 HydrophobicContact CD1-CG 3.81Å; I226-M234 HydrophobicContact CG1-CB 4.39Å; I226-M234 HydrophobicContact CG1-CG 3.67Å; I226-L290 HydrophobicContact CD1-CB 3.55Å; I226-E292 HydrophobicContact CG2-CB 3.78Å; I226-E292 HydrophobicContact CG2-CG 4.38Å
227	A	98.1	Very high	98.7	Very high	23 Å²	23	26.6 Å²	26.6	19%	0.19	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-31.7	179.3	0	0	0	0	0	112.7	V44 V47 A223 R224	V44-A227 HydrophobicContact CG1-CB 3.9Å; V47-A227 HydrophobicContact CG2-CB 4.42Å; A223-A227 VanDerWaalsContact O-CB 3.25Å; A223-A227 WeakPolarHBondContact O-CB 3.48Å; A223-A227 PolarHBondContact O-N 3.29Å; R224-A227 PolarHBondContact O-N 3.4Å
228	H	97.9	Very high	98.7	Very high	155 Å²	155	26 Å²	26	72%	0.718	14%	0.138	S	C	*	.	H	α-helix	trans	-88.5	-24.8	-173.3	-163	69.2	0	0	0	115.4	R224 F225 I226 D230	R224-H228 VanDerWaalsContact O-CB 3.22Å; R224-H228 WeakPolarHBondContact O-CB 3.4Å; R224-H228 PolarHBondContact O-N 3.44Å; F225-H228 PolarHBondContact O-N 3.29Å; I226-H228 PolarHBondContact O-N 2.98Å; I226-H228 VanDerWaalsContact O-N 3.15Å; H228-D230 IonicContact CD2-OD2 2.67Å; H228-D230 IonicContact CG-OD2 3.44Å
229	G	97.3	Very high	98.7	Very high	43 Å²	43	26 Å²	26	44%	0.443	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	129.5	-18.2	-177.6	0	0	0	0	0	114.6	R45 F225 A231	R45-G229 VanDerWaalsContact NH2-N 3.16Å; R45-G229 PolarHBondContact NH2-O 3.38Å; F225-G229 PolarHBondContact O-N 3.5Å; G229-A231 VanDerWaalsContact C-N 3.34Å; G229-A231 PolarHBondContact O-N 2.71Å
230	D	98.4	Very high	98.6	Very high	80 Å²	80	26.1 Å²	26.1	43%	0.428	14%	0.139	S	C	.	.	S	Bend	trans	-74.3	-23.5	-163	-54.4	-69.4	0	0	0	114.1	P204 F225 H228	P204-D230 WeakPolarHBondContact CD-O 3.47Å; P204-D230 HydrophobicContact CG-CB 3.92Å; F225-D230 HydrophobicContact CB-CB 4.14Å; F225-D230 HydrophobicContact CD1-CB 4.24Å; F225-D230 PolarHBondContact O-N 3.19Å; H228-D230 IonicContact CD2-OD2 2.67Å; H228-D230 IonicContact CG-OD2 3.44Å
231	A	98.5	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.			trans	-149	160	176.3	0	0	0	0	0	111.1	R45 P204 I226 G229 M234	R45-A231 PolarHBondContact NH2-O 2.91Å; P204-A231 HydrophobicContact CG-CB 4.26Å; I226-A231 HydrophobicContact CG1-CB 4.43Å; G229-A231 VanDerWaalsContact C-N 3.34Å; G229-A231 PolarHBondContact O-N 2.71Å; A231-M234 HydrophobicContact CB-CG 3.94Å; A231-M234 HydrophobicContact CB-SD 3.55Å; A231-M234 VanDerWaalsContact CB-SD 3.55Å
232	V	98.4	Very high	98.2	Very high	29 Å²	29	25.3 Å²	25.3	18%	0.176	14%	0.136	C	C	.	.	S	Bend	trans	-98.3	-31.8	169.4	175.5	0	0	0	0	110.6	N148 E291 E292 H295	N148-V232 HydrophobicContact CB-CB 4.11Å; N148-V232 HydrophobicContact CB-CG2 3.98Å; N148-V232 PolarHBondContact O-N 3.02Å; V232-E291 CarbonylContact O-C 3.59Å; V232-E291 WeakPolarHBondContact O-CA 3.27Å; V232-E292 HydrophobicContact CG1-CB 4.31Å; V232-E292 PolarHBondContact O-N 3.16Å; V232-H295 HydrophobicContact CG1-CB 3.5Å; V232-H295 VanDerWaalsContact CG1-CB 3.5Å; V232-H295 WeakPolarHBondContact CG1-CD2 3.33Å
233	A	98.9	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.3	175.6	0	0	0	0	0	110.9	W138 N148 T149 G150 L289 L290 E291	W138-A233 HydrophobicContact CZ2-CB 4.43Å; N148-A233 PolarHBondContact O-N 2.92Å; N148-A233 VanDerWaalsContact O-N 3.17Å; T149-A233 CarbonylContact C-O 3.53Å; T149-A233 VanDerWaalsContact CA-O 3.31Å; T149-A233 WeakPolarHBondContact CA-O 3.37Å; T149-A233 HydrophobicContact CG2-CB 4.07Å; G150-A233 PolarHBondContact N-O 2.94Å; A233-L289 HydrophobicContact CB-CD1 4.32Å; A233-L290 CarbonylContact C-O 3.52Å; A233-L290 VanDerWaalsContact CA-O 3.23Å; A233-L290 WeakPolarHBondContact CA-O 3.34Å; A233-E291 HydrophobicContact CB-CG 3.96Å
234	M	98.9	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122	177.2	-69.6	-65.4	-69.7	0	0	110.4	G150 A152 P204 A222 F225 I226 A231 T236 L290	G150-M234 WeakPolarHBondContact CA-SD 3.48Å; A152-M234 HydrophobicContact CB-CE 3.71Å; P204-M234 HydrophobicContact CB-CE 4.2Å; P204-M234 HydrophobicContact CB-SD 4.38Å; P204-M234 HydrophobicContact CG-SD 4.42Å; A222-M234 HydrophobicContact CB-CB 3.88Å; A222-M234 HydrophobicContact CB-CE 4.36Å; A222-M234 HydrophobicContact CB-CG 4.22Å; F225-M234 HydrophobicContact CD2-CE 3.93Å; I226-M234 HydrophobicContact CD1-CB 3.96Å; I226-M234 HydrophobicContact CD1-CG 3.81Å; I226-M234 HydrophobicContact CG1-CB 4.39Å; I226-M234 HydrophobicContact CG1-CG 3.67Å; A231-M234 HydrophobicContact CB-CG 3.94Å; A231-M234 HydrophobicContact CB-SD 3.55Å; A231-M234 VanDerWaalsContact CB-SD 3.55Å; M234-T236 PolarHBondContact O-N 3.07Å; M234-L290 HydrophobicContact CB-CB 4.45Å; M234-L290 PolarHBondContact N-O 3Å; M234-L290 PolarHBondContact O-N 3Å
235	V	98.9	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	111.2	166.5	179.7	0	0	0	0	107.8	A129 L133 G150 V151 A152 I195 L201 V287 L289	A129-V235 HydrophobicContact CB-CG1 3.93Å; L133-V235 HydrophobicContact CD1-CG2 4.47Å; L133-V235 HydrophobicContact CD2-CG2 3.78Å; L133-V235 HydrophobicContact CG-CG2 4.25Å; G150-V235 PolarHBondContact O-N 3.31Å; V151-V235 CarbonylContact C-O 3.49Å; V151-V235 VanDerWaalsContact CA-O 3.27Å; V151-V235 WeakPolarHBondContact CA-O 3.36Å; V151-V235 HydrophobicContact CG2-CB 4.46Å; A152-V235 PolarHBondContact N-O 3.11Å; I195-V235 HydrophobicContact CG2-CB 4.48Å; I195-V235 HydrophobicContact CG2-CG1 3.92Å; L201-V235 HydrophobicContact CD1-CB 4.28Å; L201-V235 HydrophobicContact CD1-CG2 3.65Å; V235-V287 HydrophobicContact CG1-CG1 3.44Å; V235-V287 VanDerWaalsContact CG1-CG1 3.44Å; V235-L289 HydrophobicContact CG2-CD1 3.86Å
236	T	98.9	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.6	-169.3	-175.8	0	0	0	0	114	A152 A218 I219 A222 M234 V287 V288 L290	A152-T236 WeakPolarHBondContact O-CA 3.39Å; A152-T236 VanDerWaalsContact O-CB 3.31Å; A152-T236 WeakPolarHBondContact O-CB 3.34Å; A152-T236 PolarHBondContact O-OG1 3.11Å; A218-T236 PolarHBondContact O-OG1 2.81Å; I219-T236 WeakPolarHBondContact CA-OG1 3.47Å; I219-T236 HydrophobicContact CG1-CG2 4.05Å; I219-T236 PolarHBondContact N-OG1 3.12Å; A222-T236 HydrophobicContact CB-CG2 3.69Å; A222-T236 WeakPolarHBondContact CB-OG1 3.3Å; M234-T236 PolarHBondContact O-N 3.07Å; T236-V287 CarbonylContact O-C 3.53Å; T236-V287 WeakPolarHBondContact O-CA 3.27Å; T236-V288 HydrophobicContact CG2-CG2 3.71Å; T236-V288 PolarHBondContact N-O 2.75Å; T236-V288 PolarHBondContact O-N 2.82Å; T236-L290 HydrophobicContact CG2-CD1 3.69Å; T236-L290 HydrophobicContact CG2-CG 3.65Å
237	G	98.9	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-146.3	178	0	0	0	0	0	112.6	A152 V153 G154 A218 A286	A152-G237 PolarHBondContact O-N 3.05Å; A152-G237 VanDerWaalsContact O-N 3.16Å; V153-G237 WeakPolarHBondContact CA-O 3.43Å; G154-G237 PolarHBondContact N-O 3.18Å; G154-G237 VanDerWaalsContact N-O 3.08Å; A218-G237 WeakPolarHBondContact CB-O 3.48Å; G237-A286 VanDerWaalsContact CA-O 3.31Å; G237-A286 WeakPolarHBondContact CA-O 3.27Å
238	G	98.8	Very high	97.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	154.9	-178.4	0	0	0	0	0	112.9	G154 A285 A286 A394 A397	G154-G238 WeakPolarHBondContact O-CA 3.1Å; G238-A285 WeakPolarHBondContact O-CA 3.38Å; G238-A286 PolarHBondContact N-O 3.42Å; G238-A286 PolarHBondContact O-N 3.24Å; G238-A394 WeakPolarHBondContact O-CB 3.26Å; G238-A397 VanDerWaalsContact N-CB 3.32Å
239	T	98.9	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.1	174.5	-170.9	0	0	0	0	111.5	A121 A125 G154 M155 A191 G284	A121-T239 HydrophobicContact CB-CG2 4.15Å; A121-T239 PolarHBondContact O-OG1 2.7Å; A125-T239 HydrophobicContact CB-CG2 3.85Å; G154-T239 PolarHBondContact O-N 3.48Å; M155-T239 WeakPolarHBondContact CA-O 3.17Å; M155-T239 HydrophobicContact CB-CG2 3.99Å; M155-T239 HydrophobicContact CG-CG2 4.25Å; M155-T239 HydrophobicContact SD-CG2 4.23Å; A191-T239 HydrophobicContact CB-CG2 3.8Å; T239-G284 CarbonylContact C-O 3.5Å; T239-G284 WeakPolarHBondContact CA-O 3.47Å
240	E	98.4	Very high	97.2	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	136.7	170.8	-165.3	74.2	-108.4	0	0	110.5	G156 M157 C242 E283 G284 L391 L392 G393 A394	G156-E240 VanDerWaalsContact CA-OE2 3.26Å; G156-E240 WeakPolarHBondContact CA-OE2 2.94Å; G156-E240 PolarHBondContact N-OE2 2.87Å; M157-E240 PolarHBondContact N-OE1 3.03Å; M157-E240 PolarHBondContact N-OE2 3.04Å; E240-C242 WeakPolarHBondContact CG-SG 3.02Å; E240-C242 PolarHBondContact OE1-SG 3.12Å; E240-E283 WeakPolarHBondContact O-CA 3.13Å; E240-E283 WeakPolarHBondContact O-CB 3.46Å; E240-G284 PolarHBondContact N-O 3.15Å; E240-G284 PolarHBondContact O-N 2.88Å; E240-G284 VanDerWaalsContact O-O 3.13Å; E240-L391 VanDerWaalsContact CB-O 3.27Å; E240-L391 WeakPolarHBondContact CB-O 3.29Å; E240-L392 HydrophobicContact CG-CB 3.95Å; E240-L392 HydrophobicContact CG-CD1 3.99Å; E240-G393 PolarHBondContact OE2-N 3.4Å; E240-A394 HydrophobicContact CB-CB 4.5Å
241	S	97.1	Very high	97.2	Very high	15 Å²	15	15.3 Å²	15.3	11%	0.105	10%	0.1	C	C	.	.			trans	-151.8	84.4	168.5	-179.9	0	0	0	0	108.2	E283	S241-E283 PolarHBondContact OG-OE2 3.48Å
242	C	91.1	Very high	97.1	Very high	7 Å²	7	16.1 Å²	16.1	5%	0.047	11%	0.106	C	C	.	.			trans	-134.3	25.1	-174.6	61	0	0	0	0	111.8	M157 E240 G244 S247 L392	M157-C242 HydrophobicContact CE-CB 3.99Å; M157-C242 WeakPolarHBondContact CE-SG 3.27Å; E240-C242 WeakPolarHBondContact CG-SG 3.02Å; E240-C242 PolarHBondContact OE1-SG 3.12Å; C242-G244 PolarHBondContact O-N 3.46Å; C242-G244 VanDerWaalsContact O-N 3.11Å; C242-S247 WeakPolarHBondContact O-CB 3.37Å; C242-S247 PolarHBondContact O-OG 3.49Å; C242-L392 WeakPolarHBondContact SG-CD1 3.43Å
243	I	96.6	Very high	97.1	Very high	29 Å²	29	25.2 Å²	25.2	15%	0.149	14%	0.138	C	C	.	.			trans	-73.1	103.4	168.9	-58.9	168.8	0	0	0	107.2	L79 A92 A93 V94 M281 E283	L79-I243 HydrophobicContact CD2-CG2 4Å; A92-I243 HydrophobicContact CB-CD1 3.93Å; A92-I243 HydrophobicContact CB-CG1 4.4Å; A92-I243 HydrophobicContact CB-CG2 3.95Å; A93-I243 WeakPolarHBondContact O-CD1 3.46Å; V94-I243 HydrophobicContact CG2-CD1 3.96Å; I243-M281 HydrophobicContact CG1-CG 4.21Å; I243-M281 HydrophobicContact CG1-SD 4.27Å; I243-E283 HydrophobicContact CD1-CB 3.85Å; I243-E283 HydrophobicContact CD1-CG 3.68Å; I243-E283 HydrophobicContact CG1-CB 4.27Å
244	G	94.9	Very high	96.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	-155.3	162.1	179.4	0	0	0	0	0	110.6	Y84 D161 C242 L246 S247 M248	Y84-G244 WeakPolarHBondContact OH-CA 3.32Å; D161-G244 WeakPolarHBondContact OD2-CA 3.45Å; C242-G244 PolarHBondContact O-N 3.46Å; C242-G244 VanDerWaalsContact O-N 3.11Å; G244-L246 VanDerWaalsContact C-N 3.26Å; G244-L246 PolarHBondContact O-N 3.06Å; G244-S247 PolarHBondContact N-OG 3.48Å; G244-S247 PolarHBondContact O-N 3.18Å; G244-S247 PolarHBondContact O-OG 3.34Å; G244-M248 WeakPolarHBondContact O-CB 3.38Å; G244-M248 VanDerWaalsContact O-CG 3.23Å; G244-M248 WeakPolarHBondContact O-CG 3.41Å; G244-M248 PolarHBondContact O-N 2.96Å
245	P	92.8	Very high	96.7	Very high	39 Å²	39	38.5 Å²	38.5	25%	0.253	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-38.1	-175.1	-28.4	37.4	0	0	0	113.4	E83 Y84 A249	E83-P245 HydrophobicContact CG-CG 3.64Å; E83-P245 VanDerWaalsContact OE1-CG 3.25Å; E83-P245 WeakPolarHBondContact OE1-CG 3.37Å; Y84-P245 HydrophobicContact CE1-CB 4.41Å; Y84-P245 HydrophobicContact CE1-CG 4.19Å; P245-A249 WeakPolarHBondContact O-CB 3.06Å; P245-A249 PolarHBondContact O-N 3.47Å
246	L	95.2	Very high	96.6	Very high	93 Å²	93	39 Å²	39	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-71.3	-44.1	-177.6	-179.5	57.4	0	0	0	112.6	L160 A164 G244 G250	L160-L246 HydrophobicContact CB-CD2 4.23Å; A164-L246 HydrophobicContact CB-CD2 4.29Å; G244-L246 VanDerWaalsContact C-N 3.26Å; G244-L246 PolarHBondContact O-N 3.06Å; L246-G250 PolarHBondContact O-N 2.9Å
247	S	96.6	Very high	96.6	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-46.2	176.7	54.9	0	0	0	0	111	C242 G244 A249 G250 F251	C242-S247 WeakPolarHBondContact O-CB 3.37Å; C242-S247 PolarHBondContact O-OG 3.49Å; G244-S247 PolarHBondContact N-OG 3.48Å; G244-S247 PolarHBondContact O-N 3.18Å; G244-S247 PolarHBondContact O-OG 3.34Å; S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 PolarHBondContact O-N 3.23Å; S247-G250 WeakPolarHBondContact O-CA 3.49Å; S247-G250 PolarHBondContact O-N 2.91Å; S247-F251 WeakPolarHBondContact O-CD2 3.29Å; S247-F251 PolarHBondContact O-N 3.23Å
248	M	97.7	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-42.9	177.6	-69.5	-63.9	-67.4	0	0	111.2	L79 Y84 V87 C89 G244 A252 L257 M281	L79-M248 HydrophobicContact CD1-CE 3.69Å; Y84-M248 HydrophobicContact CD1-CB 4.28Å; Y84-M248 HydrophobicContact CD1-CG 4.39Å; Y84-M248 HydrophobicContact CE1-CB 3.99Å; Y84-M248 HydrophobicContact CE1-CG 3.76Å; V87-M248 HydrophobicContact CG1-CB 4.13Å; C89-M248 HydrophobicContact CB-CE 4.05Å; C89-M248 VanDerWaalsContact SG-CE 3.51Å; G244-M248 WeakPolarHBondContact O-CB 3.38Å; G244-M248 VanDerWaalsContact O-CG 3.23Å; G244-M248 WeakPolarHBondContact O-CG 3.41Å; G244-M248 PolarHBondContact O-N 2.96Å; M248-A252 WeakPolarHBondContact O-CB 3.29Å; M248-A252 PolarHBondContact O-N 3.32Å; M248-L257 HydrophobicContact CE-CD1 3.73Å; M248-L257 WeakPolarHBondContact O-CD1 3.26Å; M248-L257 HydrophobicContact SD-CD1 4.05Å; M248-M281 HydrophobicContact SD-CB 3.9Å; M248-M281 HydrophobicContact SD-CE 4Å; M248-M281 HydrophobicContact SD-CG 4.43Å; M248-M281 HydrophobicContact SD-SD 3.78Å
249	A	96.9	Very high	96.5	Very high	36 Å²	36	42 Å²	42	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-45.2	172.3	0	0	0	0	0	112	V87 P245 S247 A252 R253	V87-A249 HydrophobicContact CG2-CB 4.26Å; P245-A249 WeakPolarHBondContact O-CB 3.06Å; P245-A249 PolarHBondContact O-N 3.47Å; S247-A249 VanDerWaalsContact C-N 3.31Å; S247-A249 PolarHBondContact O-N 3.23Å; A249-A252 PolarHBondContact O-N 3.02Å; A249-R253 WeakPolarHBondContact O-CB 3.26Å; A249-R253 VanDerWaalsContact O-CG 3.23Å; A249-R253 WeakPolarHBondContact O-CG 3.22Å; A249-R253 PolarHBondContact O-N 2.78Å
250	G	97.3	Very high	96.4	Very high	42 Å²	42	49 Å²	49	43%	0.433	25%	0.251	S	S	.	.	H	α-helix	trans	-57.4	-51.8	178.3	0	0	0	0	0	113	L246 S247 R253 A254	L246-G250 PolarHBondContact O-N 2.9Å; S247-G250 WeakPolarHBondContact O-CA 3.49Å; S247-G250 PolarHBondContact O-N 2.91Å; G250-R253 PolarHBondContact O-N 2.75Å; G250-A254 PolarHBondContact O-N 2.69Å
251	F	97.6	Very high	96.3	Very high	26 Å²	26	51.4 Å²	51.4	11%	0.114	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-33.9	178.9	-79	-84.7	0	0	0	113	M157 S247 R253 A254 R255 A256 L257 F279 M281 L392 F452	M157-F251 HydrophobicContact CE-CE2 3.67Å; M157-F251 HydrophobicContact CE-CZ 4.04Å; M157-F251 HydrophobicContact SD-CE2 3.7Å; M157-F251 HydrophobicContact SD-CZ 3.81Å; S247-F251 WeakPolarHBondContact O-CD2 3.29Å; S247-F251 PolarHBondContact O-N 3.23Å; F251-R253 VanDerWaalsContact C-N 3.33Å; F251-A254 CarbonylContact O-C 3.52Å; F251-A254 PolarHBondContact O-N 2.85Å; F251-R255 PolarHBondContact O-N 3.47Å; F251-A256 HydrophobicContact CD1-CB 4.19Å; F251-A256 PolarHBondContact O-N 2.9Å; F251-A256 VanDerWaalsContact O-N 3.07Å; F251-L257 HydrophobicContact CB-CD1 3.85Å; F251-L257 HydrophobicContact CB-CD2 3.81Å; F251-L257 HydrophobicContact CB-CG 3.67Å; F251-F279 HydrophobicContact CD1-CE1 4.07Å; F251-F279 AromaticContact CD1-CZ 3.59Å; F251-F279 HydrophobicContact CD1-CZ 3.59Å; F251-F279 HydrophobicContact CE1-CE1 4.44Å; F251-F279 AromaticContact CE1-CZ 3.94Å; F251-F279 HydrophobicContact CE1-CZ 3.94Å; F251-F279 HydrophobicContact CG-CZ 4.17Å; F251-M281 HydrophobicContact CB-CE 4.18Å; F251-M281 HydrophobicContact CD2-CE 3.24Å; F251-M281 HydrophobicContact CE2-CE 3.69Å; F251-M281 HydrophobicContact CG-CE 3.81Å; F251-L392 HydrophobicContact CE1-CD2 4.4Å; F251-L392 HydrophobicContact CZ-CD2 4.18Å; F251-F452 HydrophobicContact CD1-CE2 4.3Å; F251-F452 AromaticContact CE1-CE2 3.88Å; F251-F452 HydrophobicContact CE1-CE2 3.88Å; F251-F452 HydrophobicContact CE1-CZ 4.33Å
252	A	96.8	Very high	96.4	Very high	16 Å²	16	52.2 Å²	52.2	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-40.2	172	0	0	0	0	0	111.5	V87 P88 M248 A249 A254 R255 L257	V87-A252 HydrophobicContact CG1-CB 4.22Å; P88-A252 HydrophobicContact CG-CB 4.29Å; M248-A252 WeakPolarHBondContact O-CB 3.29Å; M248-A252 PolarHBondContact O-N 3.32Å; A249-A252 PolarHBondContact O-N 3.02Å; A252-A254 VanDerWaalsContact C-N 3.3Å; A252-A254 PolarHBondContact O-N 3.17Å; A252-R255 WeakPolarHBondContact O-CA 3.46Å; A252-R255 PolarHBondContact O-N 3.03Å; A252-L257 HydrophobicContact CB-CD1 4.2Å
253	R	96.9	Very high	96.7	Very high	221 Å²	221	59.2 Å²	59.2	83%	0.834	30%	0.301	S	S	*	.	H	α-helix	trans	-66.2	-32.1	174.6	-71.8	-61.9	-60.2	-177.2	-2.5	112.6	A249 G250 F251 R255	A249-R253 WeakPolarHBondContact O-CB 3.26Å; A249-R253 VanDerWaalsContact O-CG 3.23Å; A249-R253 WeakPolarHBondContact O-CG 3.22Å; A249-R253 PolarHBondContact O-N 2.78Å; G250-R253 PolarHBondContact O-N 2.75Å; F251-R253 VanDerWaalsContact C-N 3.33Å; R253-R255 PolarHBondContact O-N 2.71Å
254	A	94.6	Very high	96.7	Very high	51 Å²	51	62 Å²	62	42%	0.421	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.4	170.6	0	0	0	0	0	113.6	G250 F251 A252 A256	G250-A254 PolarHBondContact O-N 2.69Å; F251-A254 CarbonylContact O-C 3.52Å; F251-A254 PolarHBondContact O-N 2.85Å; A252-A254 VanDerWaalsContact C-N 3.3Å; A252-A254 PolarHBondContact O-N 3.17Å; A254-A256 PolarHBondContact O-N 2.89Å
255	R	95.8	Very high	96.8	Very high	227 Å²	227	62.9 Å²	62.9	86%	0.857	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	35.4	-177.1	-54.9	-176.7	177.2	-164.8	-1.4	113.2	F251 A252 R253	F251-R255 PolarHBondContact O-N 3.47Å; A252-R255 WeakPolarHBondContact O-CA 3.46Å; A252-R255 PolarHBondContact O-N 3.03Å; R253-R255 PolarHBondContact O-N 2.71Å
256	A	97.1	Very high	97.1	Very high	10 Å²	10	64.1 Å²	64.1	8%	0.083	33%	0.329	C	S	.	.			trans	-97.1	-20.7	-178	0	0	0	0	0	113.2	F251 A254 G278 F279 F452	F251-A256 HydrophobicContact CD1-CB 4.19Å; F251-A256 PolarHBondContact O-N 2.9Å; F251-A256 VanDerWaalsContact O-N 3.07Å; A254-A256 PolarHBondContact O-N 2.89Å; A256-G278 CarbonylContact O-C 3.53Å; A256-G278 WeakPolarHBondContact O-CA 3.32Å; A256-F279 HydrophobicContact CB-CD1 4.09Å; A256-F279 HydrophobicContact CB-CE1 3.52Å; A256-F279 HydrophobicContact CB-CZ 4.33Å; A256-F279 WeakPolarHBondContact O-CD1 3.23Å; A256-F279 PolarHBondContact O-N 3.1Å; A256-F452 HydrophobicContact CB-CZ 4.2Å
257	L	98.4	Very high	97.2	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-92.1	147.3	-174.4	-57.6	-177.3	0	0	0	112.9	C89 M248 F251 A252 F279 M281	C89-L257 HydrophobicContact CB-CB 3.77Å; C89-L257 HydrophobicContact CB-CD1 3.74Å; C89-L257 HydrophobicContact CB-CG 4.41Å; M248-L257 HydrophobicContact CE-CD1 3.73Å; M248-L257 WeakPolarHBondContact O-CD1 3.26Å; M248-L257 HydrophobicContact SD-CD1 4.05Å; F251-L257 HydrophobicContact CB-CD1 3.85Å; F251-L257 HydrophobicContact CB-CD2 3.81Å; F251-L257 HydrophobicContact CB-CG 3.67Å; A252-L257 HydrophobicContact CB-CD1 4.2Å; L257-F279 CarbonylContact C-O 3.6Å; L257-F279 VanDerWaalsContact CA-O 3.27Å; L257-F279 WeakPolarHBondContact CA-O 3.04Å; L257-F279 HydrophobicContact CD2-CD2 3.78Å; L257-F279 HydrophobicContact CD2-CE1 4.23Å; L257-F279 HydrophobicContact CD2-CE2 3.31Å; L257-F279 HydrophobicContact CD2-CG 4.39Å; L257-F279 HydrophobicContact CD2-CZ 3.56Å; L257-M281 HydrophobicContact CD2-CB 4.36Å; L257-M281 HydrophobicContact CD2-CE 4.48Å
258	A	98.1	Very high	97.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.322	C	S	.	.			trans	-61.2	140.9	167.9	0	0	0	0	0	110.7	C89 A268 D277 F279 V280	C89-A258 VanDerWaalsContact CB-O 3.32Å; C89-A258 WeakPolarHBondContact CB-O 3.09Å; C89-A258 PolarHBondContact SG-O 2.93Å; A258-A268 HydrophobicContact CB-CB 4.4Å; A258-D277 WeakPolarHBondContact CB-OD1 3.22Å; A258-F279 PolarHBondContact N-O 3.44Å; A258-V280 HydrophobicContact CB-CG2 4.14Å
259	T	97.8	Very high	97.3	Very high	59 Å²	59	62.7 Å²	62.7	36%	0.362	32%	0.322	S	S	.	.			trans	-138.2	-19.5	-177.2	57	0	0	0	0	114	P88 C89 N262 D277	P88-T259 HydrophobicContact CB-CG2 3.83Å; C89-T259 HydrophobicContact CB-CG2 4.5Å; T259-N262 PolarHBondContact O-ND2 2.74Å; T259-N262 VanDerWaalsContact O-ND2 3.1Å; T259-D277 PolarHBondContact N-OD2 2.92Å; T259-D277 PolarHBondContact OG1-OD2 3.31Å
260	K	97.3	Very high	97.4	Very high	147 Å²	147	61.5 Å²	61.5	64%	0.639	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.9	-178.2	-69.6	174.9	-172.7	174.8	0	114.3	D277	K260-D277 WeakPolarHBondContact CB-OD2 3.42Å; K260-D277 HydrophobicContact CD-CB 3.91Å; K260-D277 HydrophobicContact CG-CB 4.36Å; K260-D277 VanDerWaalsContact CG-OD2 3.29Å; K260-D277 WeakPolarHBondContact CG-OD2 3.49Å; K260-D277 PolarHBondContact N-OD2 2.99Å
261	W	96.7	Very high	97.5	Very high	53 Å²	53	59.5 Å²	59.5	20%	0.201	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	27.9	-168.1	-61.3	99.1	0	0	0	113	D263 D264 L267 A268 R270 D275	W261-D263 PolarHBondContact O-N 2.76Å; W261-D264 HydrophobicContact CE3-CB 4.49Å; W261-D264 CarbonylContact O-C 3.53Å; W261-D264 VanDerWaalsContact O-C 3.3Å; W261-D264 PolarHBondContact O-N 2.74Å; W261-L267 HydrophobicContact CD2-CB 4.48Å; W261-L267 HydrophobicContact CE3-CB 3.83Å; W261-L267 HydrophobicContact CE3-CD1 4.28Å; W261-L267 HydrophobicContact CZ3-CB 4.32Å; W261-L267 HydrophobicContact CZ3-CD1 4.07Å; W261-A268 VanDerWaalsContact CB-CA 3.42Å; W261-A268 HydrophobicContact CB-CB 3.55Å; W261-A268 HydrophobicContact CG-CB 4.42Å; W261-R270 VanDerWaalsContact CH2-CZ 3.47Å; W261-D275 HydrophobicContact CZ2-CB 4.1Å
262	N	97.4	Very high	97.5	Very high	32 Å²	32	58.2 Å²	58.2	17%	0.171	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32	-177.9	-73.6	-29.9	0	0	0	112.9	P88 K90 T259	P88-N262 PolarHBondContact O-ND2 2.84Å; K90-N262 HydrophobicContact CB-CB 3.85Å; K90-N262 WeakPolarHBondContact CB-OD1 3.12Å; K90-N262 HydrophobicContact CG-CB 3.92Å; K90-N262 VanDerWaalsContact CG-CG 3.45Å; K90-N262 WeakPolarHBondContact CG-ND2 3.48Å; K90-N262 PolarHBondContact N-OD1 2.74Å; T259-N262 PolarHBondContact O-ND2 2.74Å; T259-N262 VanDerWaalsContact O-ND2 3.1Å
263	D	97.3	Very high	97.6	Very high	154 Å²	154	57.5 Å²	57.5	82%	0.824	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-14.3	-178.8	-58.7	-43.4	0	0	0	112.9	W261	W261-D263 PolarHBondContact O-N 2.76Å
264	D	97.5	Very high	97.7	Very high	87 Å²	87	49 Å²	49	47%	0.465	25%	0.251	S	S	.	.	S	Bend	trans	-131	71.4	178.1	-66.1	-62.1	0	0	0	110.8	W261 L267	W261-D264 HydrophobicContact CE3-CB 4.49Å; W261-D264 CarbonylContact O-C 3.53Å; W261-D264 VanDerWaalsContact O-C 3.3Å; W261-D264 PolarHBondContact O-N 2.74Å; D264-L267 HydrophobicContact CB-CB 4.08Å; D264-L267 HydrophobicContact CB-CD1 3.88Å; D264-L267 HydrophobicContact CB-CG 4.13Å; D264-L267 WeakPolarHBondContact O-CB 3.31Å; D264-L267 PolarHBondContact O-N 3.16Å
265	P	97.9	Very high	97.8	Very high	19 Å²	19	49.4 Å²	49.4	12%	0.123	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53.5	-44.2	-169.9	-23	29.9	0	0	0	115.5	I76 A78 V91 L267 A268	I76-P265 HydrophobicContact CG2-CB 3.97Å; I76-P265 WeakPolarHBondContact CG2-O 3.39Å; A78-P265 HydrophobicContact CB-CG 3.89Å; V91-P265 HydrophobicContact CB-CB 4.23Å; V91-P265 HydrophobicContact CG1-CB 3.64Å; V91-P265 HydrophobicContact CG1-CG 3.8Å; P265-L267 PolarHBondContact O-N 3.25Å; P265-A268 VanDerWaalsContact O-CB 3.3Å; P265-A268 WeakPolarHBondContact O-CB 3.47Å; P265-A268 PolarHBondContact O-N 2.95Å
266	P	97.1	Very high	98	Very high	66 Å²	66	39.3 Å²	39.3	43%	0.429	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-59.6	-21.6	178.2	-25.7	36.7	0	0	0	114.2	N417	P266-N417 PolarHBondContact O-ND2 3.47Å
267	L	97.9	Very high	98	Very high	65 Å²	65	40 Å²	40	34%	0.34	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-89.1	-7.5	-179.8	-65.5	-171.5	0	0	0	113.3	W261 D264 P265 R270 N417	W261-L267 HydrophobicContact CD2-CB 4.48Å; W261-L267 HydrophobicContact CE3-CB 3.83Å; W261-L267 HydrophobicContact CE3-CD1 4.28Å; W261-L267 HydrophobicContact CZ3-CB 4.32Å; W261-L267 HydrophobicContact CZ3-CD1 4.07Å; D264-L267 HydrophobicContact CB-CB 4.08Å; D264-L267 HydrophobicContact CB-CD1 3.88Å; D264-L267 HydrophobicContact CB-CG 4.13Å; D264-L267 WeakPolarHBondContact O-CB 3.31Å; D264-L267 PolarHBondContact O-N 3.16Å; P265-L267 PolarHBondContact O-N 3.25Å; L267-R270 VanDerWaalsContact O-CZ 3.25Å; L267-R270 PolarHBondContact O-NE 2.84Å; L267-R270 PolarHBondContact O-NH2 2.93Å; L267-N417 VanDerWaalsContact CD2-OD1 3.3Å; L267-N417 WeakPolarHBondContact CD2-OD1 3.47Å
268	A	98.4	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-72.1	-36	-169.6	0	0	0	0	0	114.5	V91 A258 W261 P265 V280	V91-A268 HydrophobicContact CG2-CB 3.83Å; A258-A268 HydrophobicContact CB-CB 4.4Å; W261-A268 VanDerWaalsContact CB-CA 3.42Å; W261-A268 HydrophobicContact CB-CB 3.55Å; W261-A268 HydrophobicContact CG-CB 4.42Å; P265-A268 VanDerWaalsContact O-CB 3.3Å; P265-A268 WeakPolarHBondContact O-CB 3.47Å; P265-A268 PolarHBondContact O-N 2.95Å; A268-V280 HydrophobicContact CB-CG2 3.58Å
269	S	98.6	Very high	98	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.21	C	C	.	.			trans	-96.2	113.1	174.5	-175.9	0	0	0	0	109.7	I76 K385 G386 N417	I76-S269 VanDerWaalsContact CD1-CB 3.46Å; S269-K385 WeakPolarHBondContact CB-O 3.4Å; S269-K385 VanDerWaalsContact OG-C 3.25Å; S269-K385 PolarHBondContact OG-O 3.48Å; S269-G386 PolarHBondContact OG-N 2.61Å; S269-N417 PolarHBondContact O-ND2 3.35Å
270	R	98.6	Very high	98.1	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.038	19%	0.193	C	C	.	.			trans	-142	67.9	-171.7	52.3	176.8	62.5	-162.3	4.4	111.7	W261 L267 F272 H273 D275 R276 S356 N417	W261-R270 VanDerWaalsContact CH2-CZ 3.47Å; L267-R270 VanDerWaalsContact O-CZ 3.25Å; L267-R270 PolarHBondContact O-NE 2.84Å; L267-R270 PolarHBondContact O-NH2 2.93Å; R270-F272 PolarHBondContact O-N 3.1Å; R270-H273 HydrophobicContact CB-CB 3.82Å; R270-H273 HydrophobicContact CG-CB 4.06Å; R270-H273 PolarHBondContact NH1-CE1 3.46Å; R270-H273 WeakPolarHBondContact O-CB 3.49Å; R270-H273 PolarHBondContact O-N 2.83Å; R270-H273 VanDerWaalsContact O-N 3.16Å; R270-D275 IonicContact NH1-OD2 3.63Å; R270-R276 HydrophobicContact CG-CB 4.08Å; R270-S356 WeakPolarHBondContact CG-OG 3.33Å; R270-S356 PolarHBondContact N-OG 3.36Å; R270-S356 PolarHBondContact O-OG 3.45Å; R270-N417 HydrophobicContact CB-CB 3.74Å
271	P	98.8	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	139.7	-177.9	-25	35.5	0	0	0	112.4	H273 A354 D361 S383 T415 L418	P271-H273 PolarHBondContact O-N 3.08Å; P271-A354 HydrophobicContact CB-CB 4.05Å; P271-D361 VanDerWaalsContact CA-OD2 3.28Å; P271-D361 WeakPolarHBondContact CA-OD2 3.47Å; P271-S383 WeakPolarHBondContact CG-OG 3.4Å; P271-T415 HydrophobicContact CB-CG2 4Å; P271-T415 HydrophobicContact CG-CG2 4.31Å; P271-L418 WeakPolarHBondContact O-CD1 3.29Å
272	F	98.8	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-6.1	-178.7	-40.6	-66.2	0	0	0	116.4	R270 A352 A354 D361 V381 T415 L418 F425 Y429	R270-F272 PolarHBondContact O-N 3.1Å; F272-A352 HydrophobicContact CZ-CB 3.78Å; F272-A354 HydrophobicContact CD1-CB 4.11Å; F272-A354 HydrophobicContact CE1-CB 3.29Å; F272-A354 HydrophobicContact CE2-CB 3.98Å; F272-A354 HydrophobicContact CZ-CB 3.22Å; F272-D361 HydrophobicContact CD1-CB 4.07Å; F272-D361 HydrophobicContact CE1-CB 4.46Å; F272-D361 PolarHBondContact N-OD2 3.03Å; F272-V381 HydrophobicContact CZ-CG1 4.12Å; F272-T415 HydrophobicContact CD2-CG2 4.07Å; F272-T415 HydrophobicContact CE2-CG2 4.4Å; F272-L418 HydrophobicContact CB-CD1 4.08Å; F272-L418 HydrophobicContact CB-CD2 4.26Å; F272-L418 HydrophobicContact CD2-CD2 4.3Å; F272-F425 HydrophobicContact CB-CD1 3.92Å; F272-F425 HydrophobicContact CB-CE1 4.23Å; F272-F425 HydrophobicContact CB-CG 4.48Å; F272-F425 AromaticContact CD1-CD1 3.87Å; F272-F425 HydrophobicContact CD1-CD1 3.87Å; F272-F425 AromaticContact CD1-CE1 3.73Å; F272-F425 HydrophobicContact CD1-CE1 3.73Å; F272-F425 HydrophobicContact CG-CD1 4.29Å; F272-F425 HydrophobicContact CG-CE1 4.46Å; F272-Y429 HydrophobicContact CD1-CD1 4.29Å; F272-Y429 HydrophobicContact CD1-CE1 4.22Å; F272-Y429 AromaticContact CD2-CD1 3.7Å; F272-Y429 HydrophobicContact CD2-CD1 3.7Å; F272-Y429 HydrophobicContact CD2-CE1 4.43Å; F272-Y429 HydrophobicContact CD2-CG 4.13Å; F272-Y429 HydrophobicContact CE1-CD1 4.4Å; F272-Y429 HydrophobicContact CE1-CE1 4.36Å; F272-Y429 AromaticContact CE2-CD1 3.85Å; F272-Y429 HydrophobicContact CE2-CD1 3.85Å; F272-Y429 AromaticContact CG-CD1 3.92Å; F272-Y429 HydrophobicContact CG-CD1 3.92Å; F272-Y429 HydrophobicContact CG-CE1 4.24Å; F272-Y429 HydrophobicContact CG-CG 4.43Å; F272-Y429 HydrophobicContact CZ-CD1 4.18Å
273	H	98.8	Very high	98.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.147	C	C	.	.			trans	-73.9	144.6	-179	-174.6	-82.3	0	0	0	111.4	R270 P271 D275 R276 N417 L418 D419 R420	R270-H273 HydrophobicContact CB-CB 3.82Å; R270-H273 HydrophobicContact CG-CB 4.06Å; R270-H273 PolarHBondContact NH1-CE1 3.46Å; R270-H273 WeakPolarHBondContact O-CB 3.49Å; R270-H273 PolarHBondContact O-N 2.83Å; R270-H273 VanDerWaalsContact O-N 3.16Å; P271-H273 PolarHBondContact O-N 3.08Å; H273-D275 VanDerWaalsContact C-N 3.28Å; H273-D275 IonicContact CE1-OD2 3.54Å; H273-D275 PolarHBondContact CE1-OD2 3.26Å; H273-D275 PolarHBondContact ND1-N 3.25Å; H273-D275 PolarHBondContact O-N 3.15Å; H273-R276 VanDerWaalsContact O-CB 3.29Å; H273-R276 WeakPolarHBondContact O-CB 3.48Å; H273-R276 VanDerWaalsContact O-CD 3.3Å; H273-R276 WeakPolarHBondContact O-CD 3.5Å; H273-R276 WeakPolarHBondContact O-CG 3.25Å; H273-R276 PolarHBondContact O-N 3.37Å; H273-R276 VanDerWaalsContact O-N 3.13Å; H273-R276 PolarHBondContact O-NH1 2.83Å; H273-N417 PolarHBondContact CD2-O 2.99Å; H273-N417 VanDerWaalsContact CD2-O 3.24Å; H273-L418 HydrophobicContact CB-CD1 3.93Å; H273-D419 IonicContact CD2-OD1 2.84Å; H273-D419 PolarHBondContact CD2-OD1 3.25Å; H273-D419 VanDerWaalsContact CD2-OD1 3.27Å; H273-D419 IonicContact NE2-OD1 3.21Å; H273-D419 PolarHBondContact NE2-OD1 3.33Å; H273-R420 VanDerWaalsContact CE1-CZ 3.46Å; H273-R420 PolarHBondContact CE1-NH1 3.18Å; H273-R420 PolarHBondContact CE1-NH2 3.35Å; H273-R420 PolarHBondContact NE2-NH1 3.41Å
274	P	98.4	Very high	98.4	Very high	42 Å²	42	19.3 Å²	19.3	27%	0.273	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.7	179.8	-23.4	28.6	0	0	0	114.4	R276 R420 E422	P274-R276 VanDerWaalsContact C-N 3.3Å; P274-R276 PolarHBondContact O-N 2.91Å; P274-R420 VanDerWaalsContact CD-O 3.32Å; P274-R420 WeakPolarHBondContact CD-O 3.39Å; P274-R420 HydrophobicContact CG-CG 4.07Å; P274-E422 HydrophobicContact CB-CG 3.85Å; P274-E422 HydrophobicContact CG-CG 3.72Å
275	D	98.1	Very high	98.5	Very high	59 Å²	59	15.2 Å²	15.2	32%	0.316	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	11.2	-179.1	-55.9	-22.2	0	0	0	114.8	W261 R270 H273 R420	W261-D275 HydrophobicContact CZ2-CB 4.1Å; R270-D275 IonicContact NH1-OD2 3.63Å; H273-D275 VanDerWaalsContact C-N 3.28Å; H273-D275 IonicContact CE1-OD2 3.54Å; H273-D275 PolarHBondContact CE1-OD2 3.26Å; H273-D275 PolarHBondContact ND1-N 3.25Å; H273-D275 PolarHBondContact O-N 3.15Å; D275-R420 VanDerWaalsContact CG-NH2 3.31Å; D275-R420 IonicContact OD1-NH2 3.38Å; D275-R420 PolarHBondContact OD1-NH2 2.98Å; D275-R420 IonicContact OD2-CZ 3.36Å; D275-R420 IonicContact OD2-NH2 3.17Å; D275-R420 PolarHBondContact OD2-NH2 3.18Å
276	R	98.4	Very high	98.5	Very high	15 Å²	15	14.3 Å²	14.3	6%	0.057	8%	0.08	C	C	.	.			trans	-61.3	134.6	176.4	72.5	-168.8	175.8	-79	-2.2	110.6	R270 H273 P274 S356 T357 P358 D361 E422	R270-R276 HydrophobicContact CG-CB 4.08Å; H273-R276 VanDerWaalsContact O-CB 3.29Å; H273-R276 WeakPolarHBondContact O-CB 3.48Å; H273-R276 VanDerWaalsContact O-CD 3.3Å; H273-R276 WeakPolarHBondContact O-CD 3.5Å; H273-R276 WeakPolarHBondContact O-CG 3.25Å; H273-R276 PolarHBondContact O-N 3.37Å; H273-R276 VanDerWaalsContact O-N 3.13Å; H273-R276 PolarHBondContact O-NH1 2.83Å; P274-R276 VanDerWaalsContact C-N 3.3Å; P274-R276 PolarHBondContact O-N 2.91Å; R276-S356 WeakPolarHBondContact CB-O 3.27Å; R276-S356 WeakPolarHBondContact CB-OG 3.44Å; R276-T357 PolarHBondContact NE-O 3.37Å; R276-P358 PolarHBondContact NH2-O 3.37Å; R276-D361 WeakPolarHBondContact CD-OD2 3.49Å; R276-D361 IonicContact NE-OD2 3.55Å; R276-E422 IonicContact CZ-OE2 3.96Å; R276-E422 IonicContact NH1-OE2 2.85Å; R276-E422 PolarHBondContact NH1-OE2 3.23Å; R276-E422 IonicContact NH2-OE2 3.75Å; R276-E422 PolarHBondContact NH2-OE2 3.02Å
277	D	98	Very high	98.6	Very high	24 Å²	24	11.2 Å²	11.2	13%	0.128	6%	0.06	C	C	.	.			trans	-134.8	3.5	-174.1	75.3	-42.1	0	0	0	114.9	A258 T259 K260	A258-D277 WeakPolarHBondContact CB-OD1 3.22Å; T259-D277 PolarHBondContact N-OD2 2.92Å; T259-D277 PolarHBondContact OG1-OD2 3.31Å; K260-D277 WeakPolarHBondContact CB-OD2 3.42Å; K260-D277 HydrophobicContact CD-CB 3.91Å; K260-D277 HydrophobicContact CG-CB 4.36Å; K260-D277 VanDerWaalsContact CG-OD2 3.29Å; K260-D277 WeakPolarHBondContact CG-OD2 3.49Å; K260-D277 PolarHBondContact N-OD2 2.99Å
278	G	98.4	Very high	98.6	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.01	4%	0.044	C	C	.	.			trans	153.4	171.5	-177.5	0	0	0	0	0	111.6	A256 S356	A256-G278 CarbonylContact O-C 3.53Å; A256-G278 WeakPolarHBondContact O-CA 3.32Å; G278-S356 CarbonylContact C-O 3.59Å; G278-S356 WeakPolarHBondContact CA-O 3.43Å; G278-S356 PolarHBondContact N-O 3.27Å
279	F	98.6	Very high	98.7	Very high	7 Å²	7	8.2 Å²	8.2	3%	0.031	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-86.9	157.7	176.6	75.3	-105.8	0	0	0	111.8	F251 A256 L257 A258 M281 T355 H390 L392	F251-F279 HydrophobicContact CD1-CE1 4.07Å; F251-F279 AromaticContact CD1-CZ 3.59Å; F251-F279 HydrophobicContact CD1-CZ 3.59Å; F251-F279 HydrophobicContact CE1-CE1 4.44Å; F251-F279 AromaticContact CE1-CZ 3.94Å; F251-F279 HydrophobicContact CE1-CZ 3.94Å; F251-F279 HydrophobicContact CG-CZ 4.17Å; A256-F279 HydrophobicContact CB-CD1 4.09Å; A256-F279 HydrophobicContact CB-CE1 3.52Å; A256-F279 HydrophobicContact CB-CZ 4.33Å; A256-F279 WeakPolarHBondContact O-CD1 3.23Å; A256-F279 PolarHBondContact O-N 3.1Å; L257-F279 CarbonylContact C-O 3.6Å; L257-F279 VanDerWaalsContact CA-O 3.27Å; L257-F279 WeakPolarHBondContact CA-O 3.04Å; L257-F279 HydrophobicContact CD2-CD2 3.78Å; L257-F279 HydrophobicContact CD2-CE1 4.23Å; L257-F279 HydrophobicContact CD2-CE2 3.31Å; L257-F279 HydrophobicContact CD2-CG 4.39Å; L257-F279 HydrophobicContact CD2-CZ 3.56Å; A258-F279 PolarHBondContact N-O 3.44Å; F279-M281 HydrophobicContact CE2-CB 4.04Å; F279-T355 WeakPolarHBondContact CA-O 2.96Å; F279-T355 WeakPolarHBondContact CB-O 3.44Å; F279-H390 HydrophobicContact CB-CB 4.22Å; F279-H390 HydrophobicContact CD2-CB 3.79Å; F279-H390 AromaticContact CD2-CD2 3.95Å; F279-H390 HydrophobicContact CE2-CB 4.46Å; F279-H390 HydrophobicContact CG-CB 4.21Å; F279-L392 HydrophobicContact CE2-CD2 4.22Å; F279-L392 HydrophobicContact CZ-CD2 4.09Å
280	V	98.8	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	P	Polyproline II helix	trans	-99.3	121	168.3	177	0	0	0	0	108.3	I76 V91 A258 A268 G282 G389 H390	I76-V280 HydrophobicContact CD1-CB 4.19Å; I76-V280 HydrophobicContact CD1-CG1 4.21Å; I76-V280 HydrophobicContact CD1-CG2 4.2Å; I76-V280 HydrophobicContact CG1-CG1 4.04Å; I76-V280 HydrophobicContact CG2-CG1 3.77Å; V91-V280 HydrophobicContact CG2-CG1 4.27Å; V91-V280 HydrophobicContact CG2-CG2 4.06Å; A258-V280 HydrophobicContact CB-CG2 4.14Å; A268-V280 HydrophobicContact CB-CG2 3.58Å; V280-G282 PolarHBondContact O-N 3.45Å; V280-G389 CarbonylContact O-C 3.6Å; V280-G389 WeakPolarHBondContact O-CA 3.38Å; V280-H390 PolarHBondContact O-N 3.39Å
281	M	98.7	Very high	98.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-66.5	132.1	-179.5	-172.9	178.6	-65.8	0	0	110.3	A92 A93 I243 M248 F251 L257 F279 L392	A92-M281 CarbonylContact C-O 3.59Å; A92-M281 VanDerWaalsContact CA-O 3.31Å; A92-M281 WeakPolarHBondContact CA-O 3.33Å; A92-M281 WeakPolarHBondContact CB-O 3.31Å; A93-M281 PolarHBondContact N-O 3.2Å; I243-M281 HydrophobicContact CG1-CG 4.21Å; I243-M281 HydrophobicContact CG1-SD 4.27Å; M248-M281 HydrophobicContact SD-CB 3.9Å; M248-M281 HydrophobicContact SD-CE 4Å; M248-M281 HydrophobicContact SD-CG 4.43Å; M248-M281 HydrophobicContact SD-SD 3.78Å; F251-M281 HydrophobicContact CB-CE 4.18Å; F251-M281 HydrophobicContact CD2-CE 3.24Å; F251-M281 HydrophobicContact CE2-CE 3.69Å; F251-M281 HydrophobicContact CG-CE 3.81Å; L257-M281 HydrophobicContact CD2-CB 4.36Å; L257-M281 HydrophobicContact CD2-CE 4.48Å; F279-M281 HydrophobicContact CE2-CB 4.04Å; M281-L392 HydrophobicContact CE-CD1 4.26Å; M281-L392 HydrophobicContact CG-CD1 4.03Å; M281-L392 HydrophobicContact SD-CD1 4.17Å
282	G	98.6	Very high	98.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-117.9	164.5	173.9	0	0	0	0	0	112.5	A93 V280 H390	A93-G282 VanDerWaalsContact O-CA 3.23Å; A93-G282 WeakPolarHBondContact O-CA 3.24Å; V280-G282 PolarHBondContact O-N 3.45Å; G282-H390 PolarHBondContact N-O 2.83Å
283	E	98.8	Very high	98.7	Very high	9 Å²	9	10 Å²	10	4%	0.042	5%	0.053	C	C	.	.			trans	-125	159.5	169.2	65.6	172.8	-167.2	0	0	111.5	P57 A93 V95 R97 M124 E240 S241 I243	P57-E283 VanDerWaalsContact CD-O 3.31Å; P57-E283 WeakPolarHBondContact CD-O 3.32Å; P57-E283 WeakPolarHBondContact CG-O 3.27Å; A93-E283 PolarHBondContact O-N 2.99Å; A93-E283 VanDerWaalsContact O-N 3.08Å; V95-E283 HydrophobicContact CB-CG 4.42Å; V95-E283 HydrophobicContact CG2-CG 4.01Å; V95-E283 WeakPolarHBondContact CG2-O 3.31Å; R97-E283 IonicContact CZ-OE1 2.83Å; R97-E283 IonicContact NE-OE1 2.97Å; R97-E283 IonicContact NH2-OE1 3.22Å; R97-E283 PolarHBondContact NH2-OE1 2.81Å; R97-E283 IonicContact NH2-OE2 2.85Å; R97-E283 PolarHBondContact NH2-OE2 3.27Å; M124-E283 HydrophobicContact CE-CG 4.25Å; E240-E283 WeakPolarHBondContact O-CA 3.13Å; E240-E283 WeakPolarHBondContact O-CB 3.46Å; S241-E283 PolarHBondContact OG-OE2 3.48Å; I243-E283 HydrophobicContact CD1-CB 3.85Å; I243-E283 HydrophobicContact CD1-CG 3.68Å; I243-E283 HydrophobicContact CG1-CB 4.27Å
284	G	98.8	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-179.9	178.1	0	0	0	0	0	113.4	V55 T239 E240 A394	V55-G284 CarbonylContact O-C 3.45Å; V55-G284 WeakPolarHBondContact O-CA 3.42Å; T239-G284 CarbonylContact C-O 3.5Å; T239-G284 WeakPolarHBondContact CA-O 3.47Å; E240-G284 PolarHBondContact N-O 3.15Å; E240-G284 PolarHBondContact O-N 2.88Å; E240-G284 VanDerWaalsContact O-O 3.13Å; G284-A394 WeakPolarHBondContact O-CB 3.44Å
285	A	98.9	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.6	170.2	0	0	0	0	0	110.5	V55 M124 A125 A128 G238	V55-A285 PolarHBondContact N-O 2.82Å; V55-A285 PolarHBondContact O-N 3.47Å; V55-A285 VanDerWaalsContact O-O 3.06Å; M124-A285 HydrophobicContact CB-CB 3.84Å; M124-A285 WeakPolarHBondContact O-CB 3.39Å; A125-A285 HydrophobicContact CB-CB 4.49Å; A128-A285 HydrophobicContact CB-CB 3.82Å; G238-A285 WeakPolarHBondContact O-CA 3.38Å
286	A	98.9	Very high	98.7	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.008	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.4	169.3	0	0	0	0	0	108	L54 G237 G238 A397 L398	L54-A286 HydrophobicContact CD2-CB 3.79Å; G237-A286 VanDerWaalsContact CA-O 3.31Å; G237-A286 WeakPolarHBondContact CA-O 3.27Å; G238-A286 PolarHBondContact N-O 3.42Å; G238-A286 PolarHBondContact O-N 3.24Å; A286-A397 HydrophobicContact CB-CB 3.98Å; A286-A397 WeakPolarHBondContact O-CB 3.42Å; A286-L398 VanDerWaalsContact CB-CA 3.43Å; A286-L398 HydrophobicContact CB-CB 3.79Å; A286-L398 HydrophobicContact CB-CD1 4.09Å; A286-L398 VanDerWaalsContact CB-N 3.34Å
287	V	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138	178.9	178.1	0	0	0	0	108.3	G53 A128 A129 A132 V153 V235 T236	G53-V287 PolarHBondContact N-O 3Å; G53-V287 PolarHBondContact O-N 3.43Å; A128-V287 HydrophobicContact CB-CB 4.08Å; A128-V287 HydrophobicContact CB-CG2 3.75Å; A129-V287 HydrophobicContact CB-CG1 4.08Å; A129-V287 HydrophobicContact CB-CG2 4.35Å; A132-V287 HydrophobicContact CB-CB 4.35Å; A132-V287 HydrophobicContact CB-CG1 4.07Å; A132-V287 WeakPolarHBondContact CB-O 3.31Å; V153-V287 HydrophobicContact CG2-CG2 4.47Å; V235-V287 HydrophobicContact CG1-CG1 3.44Å; V235-V287 VanDerWaalsContact CG1-CG1 3.44Å; T236-V287 CarbonylContact O-C 3.53Å; T236-V287 WeakPolarHBondContact O-CA 3.27Å
288	V	98.9	Very high	98.7	Very high	1 Å²	1	16 Å²	16	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150	171.7	-58.6	0	0	0	0	109.5	I49 G51 I52 I219 T236 L290 A401	I49-V288 HydrophobicContact CG2-CB 4.15Å; I49-V288 HydrophobicContact CG2-CG1 4.38Å; G51-V288 CarbonylContact O-C 3.56Å; G51-V288 WeakPolarHBondContact O-CA 3.23Å; I52-V288 HydrophobicContact CG1-CG1 4.15Å; I219-V288 HydrophobicContact CD1-CG2 4.17Å; I219-V288 HydrophobicContact CG1-CG2 4.17Å; T236-V288 HydrophobicContact CG2-CG2 3.71Å; T236-V288 PolarHBondContact N-O 2.75Å; T236-V288 PolarHBondContact O-N 2.82Å; V288-L290 HydrophobicContact CG2-CD2 4.16Å; V288-L290 HydrophobicContact CG2-CG 4.36Å; V288-A401 HydrophobicContact CG1-CB 4.23Å
289	L	98.9	Very high	98.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.4	164.8	-173.6	71.2	0	0	0	108.3	I49 T50 G51 L133 A136 W138 A233 V235 E291	I49-L289 WeakPolarHBondContact CA-O 3.34Å; T50-L289 PolarHBondContact N-O 2.86Å; G51-L289 PolarHBondContact O-N 3.11Å; L133-L289 HydrophobicContact CD2-CD1 4.17Å; A136-L289 HydrophobicContact CB-CB 4.23Å; A136-L289 HydrophobicContact CB-CD2 3.32Å; A136-L289 HydrophobicContact CB-CG 4.4Å; W138-L289 HydrophobicContact CB-CD2 3.46Å; W138-L289 VanDerWaalsContact CB-CD2 3.46Å; W138-L289 HydrophobicContact CG-CD2 3.78Å; A233-L289 HydrophobicContact CB-CD1 4.32Å; V235-L289 HydrophobicContact CG2-CD1 3.86Å; L289-E291 HydrophobicContact CD2-CG 4.13Å; L289-E291 HydrophobicContact CG-CG 4.19Å
290	L	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.7	166.3	-60.7	-176.3	0	0	0	109.7	V47 V48 I49 I219 A222 A223 I226 A233 M234 T236 V288 V307	V47-L290 HydrophobicContact CG1-CB 3.95Å; V47-L290 HydrophobicContact CG1-CD1 4.16Å; V47-L290 HydrophobicContact CG1-CD2 4.38Å; V47-L290 HydrophobicContact CG1-CG 4.4Å; V48-L290 CarbonylContact O-C 3.46Å; V48-L290 VanDerWaalsContact O-CA 3.3Å; V48-L290 WeakPolarHBondContact O-CA 3.4Å; I49-L290 HydrophobicContact CB-CD2 4.38Å; I49-L290 HydrophobicContact CD1-CD2 4.49Å; I49-L290 HydrophobicContact CG1-CD2 3.44Å; I49-L290 VanDerWaalsContact CG1-CD2 3.44Å; I219-L290 HydrophobicContact CG2-CD1 4.32Å; A222-L290 HydrophobicContact CB-CD1 3.82Å; A223-L290 HydrophobicContact CB-CD1 4.03Å; I226-L290 HydrophobicContact CD1-CB 3.55Å; A233-L290 CarbonylContact C-O 3.52Å; A233-L290 VanDerWaalsContact CA-O 3.23Å; A233-L290 WeakPolarHBondContact CA-O 3.34Å; M234-L290 HydrophobicContact CB-CB 4.45Å; M234-L290 PolarHBondContact N-O 3Å; M234-L290 PolarHBondContact O-N 3Å; T236-L290 HydrophobicContact CG2-CD1 3.69Å; T236-L290 HydrophobicContact CG2-CG 3.65Å; V288-L290 HydrophobicContact CG2-CD2 4.16Å; V288-L290 HydrophobicContact CG2-CG 4.36Å; L290-V307 HydrophobicContact CD2-CG2 3.94Å
291	E	98.9	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152.2	174.1	-71.8	-176.9	101.2	0	0	111.4	V47 V48 T50 V232 A233 L289 H295 A296 R299	V47-E291 WeakPolarHBondContact CA-O 3.39Å; V48-E291 HydrophobicContact CG2-CB 4.43Å; V48-E291 WeakPolarHBondContact CG2-O 3.35Å; V48-E291 PolarHBondContact N-O 2.84Å; V48-E291 PolarHBondContact O-N 2.77Å; T50-E291 WeakPolarHBondContact CB-OE2 3.4Å; T50-E291 HydrophobicContact CG2-CB 4.33Å; T50-E291 WeakPolarHBondContact CG2-OE2 3.44Å; T50-E291 PolarHBondContact OG1-OE2 3.12Å; V232-E291 CarbonylContact O-C 3.59Å; V232-E291 WeakPolarHBondContact O-CA 3.27Å; A233-E291 HydrophobicContact CB-CG 3.96Å; L289-E291 HydrophobicContact CD2-CG 4.13Å; L289-E291 HydrophobicContact CG-CG 4.19Å; E291-H295 IonicContact OE1-CE1 3.27Å; E291-H295 PolarHBondContact OE1-CE1 3.47Å; E291-H295 IonicContact OE1-ND1 2.72Å; E291-H295 PolarHBondContact OE1-ND1 3.3Å; E291-A296 HydrophobicContact CB-CB 4.09Å; E291-R299 IonicContact OE1-CZ 2.72Å; E291-R299 IonicContact OE1-NE 2.92Å; E291-R299 PolarHBondContact OE1-NE 2.94Å; E291-R299 IonicContact OE1-NH2 2.81Å; E291-R299 IonicContact OE2-CZ 3.68Å; E291-R299 IonicContact OE2-NE 3.12Å; E291-R299 PolarHBondContact OE2-NE 2.93Å; E291-R299 IonicContact OE2-NH2 3.89Å; E291-R299 PolarHBondContact OE2-NH2 3.33Å
292	E	98.7	Very high	98.6	Very high	41 Å²	41	27.8 Å²	27.8	19%	0.192	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	135.5	162.1	-167.4	-79.8	131.8	0	0	109.4	R45 R46 I226 V232 G294 H295 A296	R45-E292 HydrophobicContact CB-CG 4Å; R45-E292 HydrophobicContact CG-CG 4.46Å; R46-E292 WeakPolarHBondContact O-CA 3.39Å; I226-E292 HydrophobicContact CG2-CB 3.78Å; I226-E292 HydrophobicContact CG2-CG 4.38Å; V232-E292 HydrophobicContact CG1-CB 4.31Å; V232-E292 PolarHBondContact O-N 3.16Å; E292-G294 PolarHBondContact O-N 2.64Å; E292-G294 PolarHBondContact OE1-N 2.95Å; E292-G294 WeakPolarHBondContact OE2-CA 3.49Å; E292-G294 PolarHBondContact OE2-N 3.43Å; E292-G294 VanDerWaalsContact OE2-N 3.1Å; E292-H295 HydrophobicContact CB-CB 4.2Å; E292-H295 WeakPolarHBondContact O-CB 3.43Å; E292-H295 PolarHBondContact O-N 3.45Å; E292-H295 PolarHBondContact OE2-N 3.11Å; E292-A296 PolarHBondContact O-N 2.75Å
293	L	98.6	Very high	98.6	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-48.4	-172.6	174.7	63.9	0	0	0	113.1	R46 V48 H295 A296 E297 I303 F464	R46-L293 HydrophobicContact CB-CB 3.8Å; R46-L293 HydrophobicContact CB-CD2 3.98Å; R46-L293 PolarHBondContact O-N 3.31Å; V48-L293 HydrophobicContact CG1-CB 4.46Å; V48-L293 HydrophobicContact CG1-CD1 3.76Å; V48-L293 HydrophobicContact CG2-CD1 4.36Å; L293-H295 VanDerWaalsContact C-N 3.25Å; L293-H295 PolarHBondContact O-N 2.72Å; L293-A296 PolarHBondContact O-N 3.36Å; L293-A296 VanDerWaalsContact O-N 3.16Å; L293-E297 HydrophobicContact CD1-CG 3.82Å; L293-E297 HydrophobicContact CG-CG 4.27Å; L293-E297 WeakPolarHBondContact O-CB 3.33Å; L293-E297 WeakPolarHBondContact O-CG 3.11Å; L293-E297 PolarHBondContact O-N 3.23Å; L293-I303 HydrophobicContact CD1-CD1 3.81Å; L293-F464 HydrophobicContact CD1-CE2 3.52Å; L293-F464 HydrophobicContact CD1-CZ 3.61Å; L293-F464 HydrophobicContact CD2-CE2 4.26Å
294	G	98.1	Very high	98.6	Very high	36 Å²	36	29 Å²	29	37%	0.371	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-36.6	-179.5	0	0	0	0	0	112.3	E292 G298	E292-G294 PolarHBondContact O-N 2.64Å; E292-G294 PolarHBondContact OE1-N 2.95Å; E292-G294 WeakPolarHBondContact OE2-CA 3.49Å; E292-G294 PolarHBondContact OE2-N 3.43Å; E292-G294 VanDerWaalsContact OE2-N 3.1Å; G294-G298 PolarHBondContact O-N 2.86Å
295	H	98.4	Very high	98.6	Very high	49 Å²	49	29 Å²	29	23%	0.227	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-49.1	171.8	177.6	-94.9	0	0	0	112.3	W138 V232 E291 E292 L293 E297 G298 R299	W138-H295 AromaticContact CE3-CE1 3.93Å; W138-H295 AromaticContact CH2-CE1 3.21Å; W138-H295 WeakPolarHBondContact CH2-CE1 3.49Å; W138-H295 AromaticContact CH2-NE2 3.19Å; W138-H295 WeakPolarHBondContact CH2-NE2 3.27Å; W138-H295 AromaticContact CZ2-CE1 3.92Å; W138-H295 AromaticContact CZ3-CE1 3.22Å; W138-H295 WeakPolarHBondContact CZ3-CE1 3.41Å; W138-H295 AromaticContact CZ3-NE2 3.46Å; W138-H295 WeakPolarHBondContact CZ3-NE2 3.36Å; V232-H295 HydrophobicContact CG1-CB 3.5Å; V232-H295 VanDerWaalsContact CG1-CB 3.5Å; V232-H295 WeakPolarHBondContact CG1-CD2 3.33Å; E291-H295 IonicContact OE1-CE1 3.27Å; E291-H295 PolarHBondContact OE1-CE1 3.47Å; E291-H295 IonicContact OE1-ND1 2.72Å; E291-H295 PolarHBondContact OE1-ND1 3.3Å; E292-H295 HydrophobicContact CB-CB 4.2Å; E292-H295 WeakPolarHBondContact O-CB 3.43Å; E292-H295 PolarHBondContact O-N 3.45Å; E292-H295 PolarHBondContact OE2-N 3.11Å; L293-H295 VanDerWaalsContact C-N 3.25Å; L293-H295 PolarHBondContact O-N 2.72Å; H295-E297 PolarHBondContact O-N 2.86Å; H295-G298 PolarHBondContact O-N 3.37Å; H295-R299 PolarHBondContact O-N 3.47Å; H295-R299 VanDerWaalsContact O-N 3.1Å
296	A	98.7	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-46.6	177.8	0	0	0	0	0	111.7	V48 T50 E291 E292 L293 R299 G300 A301	V48-A296 HydrophobicContact CG2-CB 3.67Å; T50-A296 HydrophobicContact CG2-CB 3.89Å; E291-A296 HydrophobicContact CB-CB 4.09Å; E292-A296 PolarHBondContact O-N 2.75Å; L293-A296 PolarHBondContact O-N 3.36Å; L293-A296 VanDerWaalsContact O-N 3.16Å; A296-R299 PolarHBondContact O-N 3.28Å; A296-G300 PolarHBondContact O-N 3.03Å; A296-A301 HydrophobicContact CB-CB 4.1Å; A296-A301 WeakPolarHBondContact O-CB 3.39Å; A296-A301 PolarHBondContact O-N 2.73Å
297	E	98.3	Very high	98.6	Very high	110 Å²	110	30 Å²	30	51%	0.514	18%	0.184	S	C	.	.	H	α-helix	trans	-63.7	-43.6	175.5	-71.3	-179.7	146.7	0	0	111.5	L293 H295 R299 G300	L293-E297 HydrophobicContact CD1-CG 3.82Å; L293-E297 HydrophobicContact CG-CG 4.27Å; L293-E297 WeakPolarHBondContact O-CB 3.33Å; L293-E297 WeakPolarHBondContact O-CG 3.11Å; L293-E297 PolarHBondContact O-N 3.23Å; H295-E297 PolarHBondContact O-N 2.86Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 3.44Å; E297-G300 PolarHBondContact O-N 3.35Å
298	G	98.1	Very high	98.6	Very high	72 Å²	72	32 Å²	32	74%	0.742	19%	0.194	S	C	*	.	H	α-helix	trans	-60.4	-32.8	-179.1	0	0	0	0	0	113.8	G294 H295	G294-G298 PolarHBondContact O-N 2.86Å; H295-G298 PolarHBondContact O-N 3.37Å
299	R	97.8	Very high	98.6	Very high	77 Å²	77	32.1 Å²	32.1	29%	0.291	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	2.8	174.4	76.7	-180	-170.3	80.2	-0.5	114.4	A136 E291 H295 A296 E297 A301	A136-R299 PolarHBondContact O-NH1 2.84Å; A136-R299 PolarHBondContact O-NH2 3.16Å; E291-R299 IonicContact OE1-CZ 2.72Å; E291-R299 IonicContact OE1-NE 2.92Å; E291-R299 PolarHBondContact OE1-NE 2.94Å; E291-R299 IonicContact OE1-NH2 2.81Å; E291-R299 IonicContact OE2-CZ 3.68Å; E291-R299 IonicContact OE2-NE 3.12Å; E291-R299 PolarHBondContact OE2-NE 2.93Å; E291-R299 IonicContact OE2-NH2 3.89Å; E291-R299 PolarHBondContact OE2-NH2 3.33Å; H295-R299 PolarHBondContact O-N 3.47Å; H295-R299 VanDerWaalsContact O-N 3.1Å; A296-R299 PolarHBondContact O-N 3.28Å; E297-R299 VanDerWaalsContact C-N 3.26Å; E297-R299 PolarHBondContact O-N 3.44Å; R299-A301 HydrophobicContact CG-CB 4.11Å; R299-A301 VanDerWaalsContact CZ-CB 3.47Å
300	G	98	Very high	98.6	Very high	67 Å²	67	32.6 Å²	32.6	69%	0.691	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	33.8	-179	0	0	0	0	0	114.1	A296 E297	A296-G300 PolarHBondContact O-N 3.03Å; E297-G300 PolarHBondContact O-N 3.35Å
301	A	98.4	Very high	98.5	Very high	16 Å²	16	32.6 Å²	32.6	13%	0.132	20%	0.197	C	C	.	.			trans	-64.9	145.9	179.6	0	0	0	0	0	111.8	T50 A296 R299	T50-A301 HydrophobicContact CG2-CB 3.96Å; A296-A301 HydrophobicContact CB-CB 4.1Å; A296-A301 WeakPolarHBondContact O-CB 3.39Å; A296-A301 PolarHBondContact O-N 2.73Å; R299-A301 HydrophobicContact CG-CB 4.11Å; R299-A301 VanDerWaalsContact CZ-CB 3.47Å
302	R	98.4	Very high	98.5	Very high	95 Å²	95	36.8 Å²	36.8	36%	0.358	22%	0.219	S	C	.	.			trans	-67.8	132.9	163.5	178	177.5	62.6	-99.5	-9.9	108.5	T50 D135 Y304 Y408	T50-R302 VanDerWaalsContact CA-O 3.25Å; T50-R302 WeakPolarHBondContact CA-O 3.44Å; T50-R302 WeakPolarHBondContact CB-O 3.5Å; T50-R302 WeakPolarHBondContact CG2-O 3.22Å; D135-R302 PolarHBondContact O-NH2 2.9Å; D135-R302 IonicContact OD1-CZ 3.58Å; D135-R302 IonicContact OD1-NH2 2.74Å; D135-R302 PolarHBondContact OD1-NH2 2.99Å; D135-R302 IonicContact OD2-NH2 3.81Å; D135-R302 PolarHBondContact OD2-NH2 3.34Å; D135-R302 VanDerWaalsContact OD2-NH2 3.12Å; R302-Y304 VanDerWaalsContact NE-CZ 3.29Å; R302-Y304 PolarHBondContact NE-OH 3.42Å; R302-Y304 PolarHBondContact NH2-OH 3.2Å; R302-Y408 HydrophobicContact CG-CE2 4.43Å
303	I	98.8	Very high	98.5	Very high	20 Å²	20	35.7 Å²	35.7	10%	0.103	22%	0.216	C	C	.	.			trans	-109.8	121.8	175.1	-63	166.7	0	0	0	109	V48 T50 L293 F464	V48-I303 HydrophobicContact CB-CG1 4.35Å; V48-I303 HydrophobicContact CB-CG2 3.83Å; V48-I303 HydrophobicContact CG1-CD1 4.37Å; V48-I303 HydrophobicContact CG1-CG2 3.88Å; V48-I303 HydrophobicContact CG2-CD1 4.36Å; V48-I303 HydrophobicContact CG2-CG1 4.23Å; T50-I303 HydrophobicContact CG2-CG1 4.19Å; L293-I303 HydrophobicContact CD1-CD1 3.81Å; I303-F464 HydrophobicContact CB-CB 4.27Å; I303-F464 HydrophobicContact CB-CD1 4.13Å; I303-F464 HydrophobicContact CB-CG 4.13Å; I303-F464 HydrophobicContact CD1-CD1 3.9Å; I303-F464 HydrophobicContact CD1-CD2 4.33Å; I303-F464 HydrophobicContact CD1-CE1 3.63Å; I303-F464 HydrophobicContact CD1-CE2 4.1Å; I303-F464 HydrophobicContact CD1-CG 4.23Å; I303-F464 HydrophobicContact CD1-CZ 3.74Å; I303-F464 HydrophobicContact CG2-CB 3.53Å; I303-F464 HydrophobicContact CG2-CD1 4.1Å; I303-F464 HydrophobicContact CG2-CD2 3.94Å; I303-F464 HydrophobicContact CG2-CG 3.59Å
304	Y	98.8	Very high	98.5	Very high	15 Å²	15	37.1 Å²	37.1	6%	0.059	23%	0.232	C	C	.	.			trans	-81.9	-46.8	175.5	-72.6	-77.5	0	0	0	111.9	I49 I52 D135 R302 L405 Y408	I49-Y304 HydrophobicContact CG2-CD2 4.32Å; I49-Y304 PolarHBondContact O-N 3Å; I52-Y304 HydrophobicContact CD1-CD1 4.17Å; I52-Y304 HydrophobicContact CD1-CD2 3.94Å; I52-Y304 HydrophobicContact CD1-CE1 4.42Å; I52-Y304 HydrophobicContact CD1-CE2 4.17Å; I52-Y304 HydrophobicContact CD1-CG 3.9Å; I52-Y304 HydrophobicContact CG1-CD2 3.99Å; I52-Y304 HydrophobicContact CG1-CE2 4.02Å; I52-Y304 HydrophobicContact CG1-CG 4.46Å; D135-Y304 VanDerWaalsContact CG-OH 3.29Å; D135-Y304 PolarHBondContact OD1-OH 3.39Å; D135-Y304 VanDerWaalsContact OD1-OH 3.11Å; D135-Y304 WeakPolarHBondContact OD2-CE2 3.32Å; D135-Y304 VanDerWaalsContact OD2-CZ 3.28Å; D135-Y304 PolarHBondContact OD2-OH 2.79Å; R302-Y304 VanDerWaalsContact NE-CZ 3.29Å; R302-Y304 PolarHBondContact NE-OH 3.42Å; R302-Y304 PolarHBondContact NH2-OH 3.2Å; Y304-L405 HydrophobicContact CD1-CD2 4.19Å; Y304-L405 HydrophobicContact CE1-CD2 4.01Å; Y304-Y408 AromaticContact CD1-CD1 4Å; Y304-Y408 HydrophobicContact CD1-CD1 4Å; Y304-Y408 HydrophobicContact CD1-CD2 4.03Å; Y304-Y408 HydrophobicContact CD1-CE1 4.47Å; Y304-Y408 HydrophobicContact CD1-CE2 4.49Å; Y304-Y408 AromaticContact CD1-CG 3.76Å; Y304-Y408 HydrophobicContact CD1-CG 3.76Å; Y304-Y408 HydrophobicContact CE1-CD1 4.24Å; Y304-Y408 HydrophobicContact CE1-CE1 4.41Å; Y304-Y408 HydrophobicContact CE1-CG 4.44Å
305	A	98.8	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	161.8	-177	0	0	0	0	0	110.9	V48 I49 A404 C407 S462	V48-A305 WeakPolarHBondContact CA-O 3.41Å; I49-A305 HydrophobicContact CD1-CB 4.37Å; I49-A305 PolarHBondContact N-O 2.86Å; A305-A404 HydrophobicContact CB-CB 3.89Å; A305-C407 HydrophobicContact CB-CB 4.3Å; A305-S462 CarbonylContact C-O 3.51Å; A305-S462 WeakPolarHBondContact CA-O 3.17Å; A305-S462 VanDerWaalsContact CB-O 3.29Å; A305-S462 WeakPolarHBondContact CB-O 3.39Å
306	E	98.8	Very high	98.4	Very high	9 Å²	9	39.3 Å²	39.3	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.7	169.9	-170.4	176.7	-177.8	0	0	110.2	R46 V47 V48 L308 R442 L461 S462	R46-E306 IonicContact CZ-OE1 3.88Å; R46-E306 IonicContact CZ-OE2 3.88Å; R46-E306 IonicContact NE-OE1 3.12Å; R46-E306 PolarHBondContact NE-OE1 3.03Å; R46-E306 IonicContact NE-OE2 2.74Å; R46-E306 VanDerWaalsContact NH2-CD 3.26Å; R46-E306 IonicContact NH2-OE1 2.84Å; R46-E306 PolarHBondContact NH2-OE1 3.37Å; R46-E306 IonicContact NH2-OE2 3.97Å; R46-E306 PolarHBondContact NH2-OE2 3.21Å; V47-E306 WeakPolarHBondContact O-CG 3.28Å; V48-E306 HydrophobicContact CG1-CB 4.25Å; V48-E306 HydrophobicContact CG1-CG 4.2Å; E306-L308 HydrophobicContact CB-CD2 4.23Å; E306-L308 VanDerWaalsContact CD-CD2 3.44Å; E306-L308 HydrophobicContact CG-CD2 3.72Å; E306-L308 PolarHBondContact O-N 3.17Å; E306-R442 IonicContact OE2-NH1 3.76Å; E306-L461 WeakPolarHBondContact O-CA 3.4Å; E306-S462 PolarHBondContact N-O 3.21Å; E306-S462 PolarHBondContact O-N 3.22Å
307	V	98.8	Very high	98.1	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.085	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	103.5	170.9	-174.3	0	0	0	0	107.7	V47 I49 A223 L290 L461	V47-V307 PolarHBondContact O-N 3.13Å; I49-V307 HydrophobicContact CD1-CG2 4.25Å; I49-V307 HydrophobicContact CG1-CG2 4.13Å; A223-V307 HydrophobicContact CB-CB 4.43Å; A223-V307 HydrophobicContact CB-CG1 3.97Å; L290-V307 HydrophobicContact CD2-CG2 3.94Å; V307-L461 HydrophobicContact CB-CD2 4.17Å; V307-L461 HydrophobicContact CG1-CD2 4.19Å; V307-L461 HydrophobicContact CG2-CD2 3.84Å
308	L	98.6	Very high	98	Very high	42 Å²	42	42.2 Å²	42.2	22%	0.22	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-35.9	-175.4	-63.7	-175.7	0	0	0	113	E306 A340 V342 L444 C460	E306-L308 HydrophobicContact CB-CD2 4.23Å; E306-L308 VanDerWaalsContact CD-CD2 3.44Å; E306-L308 HydrophobicContact CG-CD2 3.72Å; E306-L308 PolarHBondContact O-N 3.17Å; L308-A340 HydrophobicContact CB-CB 3.71Å; L308-A340 VanDerWaalsContact O-CA 3.3Å; L308-A340 WeakPolarHBondContact O-CA 3.31Å; L308-V342 HydrophobicContact CD1-CG2 4.25Å; L308-L444 HydrophobicContact CD1-CD2 3.46Å; L308-L444 VanDerWaalsContact CD1-CD2 3.46Å; L308-C460 PolarHBondContact N-O 2.89Å
309	G	98.6	Very high	97.8	Very high	2 Å²	2	45 Å²	45	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	155.4	-174.3	0	0	0	0	0	113.9	D339 L459 C460	G309-D339 WeakPolarHBondContact CA-OD2 3.47Å; G309-L459 WeakPolarHBondContact O-CA 3.36Å; G309-C460 PolarHBondContact N-O 2.92Å; G309-C460 PolarHBondContact O-N 3Å
310	Y	98.9	Very high	97.5	Very high	11 Å²	11	44 Å²	44	4%	0.043	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	118.6	-177.7	171	-144.3	0	0	0	109.5	H217 G220 D221 R224 L312 D339 A457 L459	H217-Y310 VanDerWaalsContact CA-OH 3.32Å; H217-Y310 WeakPolarHBondContact CA-OH 3.43Å; H217-Y310 AromaticContact CD2-CE2 3.94Å; H217-Y310 AromaticContact CD2-CZ 3.91Å; H217-Y310 PolarHBondContact CD2-OH 2.97Å; H217-Y310 PolarHBondContact O-OH 3.07Å; G220-Y310 VanDerWaalsContact C-CD1 3.47Å; G220-Y310 VanDerWaalsContact CA-CD1 3.49Å; D221-Y310 VanDerWaalsContact OD1-CE1 3.27Å; D221-Y310 WeakPolarHBondContact OD1-CE1 3.32Å; D221-Y310 PolarHBondContact OD1-OH 2.84Å; R224-Y310 HydrophobicContact CG-CD1 4.11Å; Y310-L312 HydrophobicContact CD1-CD1 4.01Å; Y310-L312 HydrophobicContact CD2-CD1 4.05Å; Y310-L312 HydrophobicContact CD2-CG 4.41Å; Y310-L312 HydrophobicContact CE1-CD1 3.7Å; Y310-L312 HydrophobicContact CE1-CD2 4.42Å; Y310-L312 HydrophobicContact CE1-CG 4.34Å; Y310-L312 HydrophobicContact CE2-CD1 3.72Å; Y310-L312 HydrophobicContact CE2-CD2 4.26Å; Y310-L312 HydrophobicContact CE2-CG 3.72Å; Y310-L312 HydrophobicContact CG-CD1 4.19Å; Y310-L312 WeakPolarHBondContact OH-CD2 3.49Å; Y310-D339 PolarHBondContact N-OD2 3.17Å; Y310-A457 HydrophobicContact CE2-CB 4.26Å; Y310-L459 HydrophobicContact CD2-CD2 3.72Å; Y310-L459 HydrophobicContact CE2-CD2 4.45Å; Y310-L459 HydrophobicContact CG-CD2 4.13Å
311	G	98.9	Very high	97.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.9	-178.3	0	0	0	0	0	111.7	A457 S458	G311-A457 CarbonylContact O-C 3.57Å; G311-A457 VanDerWaalsContact O-CA 3.31Å; G311-A457 WeakPolarHBondContact O-CA 3.34Å; G311-S458 PolarHBondContact N-O 3.36Å; G311-S458 PolarHBondContact O-N 3.38Å
312	L	98.8	Very high	96.7	Very high	88 Å²	88	44 Å²	44	46%	0.461	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.5	179.9	-53.2	84.1	0	0	0	110.6	Y310 N456	Y310-L312 HydrophobicContact CD1-CD1 4.01Å; Y310-L312 HydrophobicContact CD2-CD1 4.05Å; Y310-L312 HydrophobicContact CD2-CG 4.41Å; Y310-L312 HydrophobicContact CE1-CD1 3.7Å; Y310-L312 HydrophobicContact CE1-CD2 4.42Å; Y310-L312 HydrophobicContact CE1-CG 4.34Å; Y310-L312 HydrophobicContact CE2-CD1 3.72Å; Y310-L312 HydrophobicContact CE2-CD2 4.26Å; Y310-L312 HydrophobicContact CE2-CG 3.72Å; Y310-L312 HydrophobicContact CG-CD1 4.19Å; Y310-L312 WeakPolarHBondContact OH-CD2 3.49Å; L312-N456 VanDerWaalsContact CA-O 3.3Å; L312-N456 WeakPolarHBondContact CA-O 3.46Å
313	S	98.8	Very high	96.2	Very high	18 Å²	18	40.7 Å²	40.7	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	166.6	169.8	85.2	0	0	0	0	111.8	G328 N456	S313-G328 VanDerWaalsContact OG-C 3.27Å; S313-G328 WeakPolarHBondContact OG-CA 3.49Å; S313-G328 PolarHBondContact OG-O 3.25Å; S313-N456 PolarHBondContact N-O 3.35Å; S313-N456 PolarHBondContact O-N 3.12Å; S313-N456 WeakPolarHBondContact OG-CB 3.48Å; S313-N456 PolarHBondContact OG-ND2 3.43Å
314	G	98.3	Very high	95.4	Very high	37 Å²	37	45.5 Å²	45.5	38%	0.381	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.5	167	0	0	0	0	0	111.1	R331 G454	G314-R331 PolarHBondContact O-NH1 3.1Å; G314-R331 VanDerWaalsContact O-NH1 3.14Å; G314-R331 PolarHBondContact O-NH2 2.9Å; G314-G454 CarbonylContact C-O 3.33Å; G314-G454 VanDerWaalsContact CA-O 3.23Å; G314-G454 WeakPolarHBondContact CA-O 3.28Å
315	D	97.3	Very high	94.8	Very high	25 Å²	25	48.3 Å²	48.3	13%	0.134	31%	0.305	C	S	.	.			trans	-73.7	-37.7	175	-76.6	5.1	0	0	0	111.8	S317 S323 G328 G454 N456	D315-S317 PolarHBondContact O-N 3.47Å; D315-S323 PolarHBondContact OD2-N 3.16Å; D315-G328 VanDerWaalsContact OD1-CA 3.32Å; D315-G328 WeakPolarHBondContact OD1-CA 3.37Å; D315-G454 PolarHBondContact N-O 3.17Å; D315-N456 PolarHBondContact OD1-ND2 2.98Å
316	A	96	Very high	94.6	Very high	106 Å²	106	48.5 Å²	48.5	88%	0.876	31%	0.306	S	S	*	.			trans	53.2	34.7	-176.8	0	0	0	0	0	114.3
317	S	92.7	Very high	94.6	Very high	72 Å²	72	50.3 Å²	50.3	50%	0.503	32%	0.316	S	S	.	.	S	Bend	trans	-120.7	-58.1	-172.9	62.9	0	0	0	0	113.9	D315	D315-S317 PolarHBondContact O-N 3.47Å
318	H	95.5	Very high	94.5	Very high	100 Å²	100	49.7 Å²	49.7	46%	0.463	31%	0.312	S	S	.	.			trans	-143.9	154.3	-176.4	-167.8	-100	0	0	0	111.4	T320 A321	H318-T320 VanDerWaalsContact C-N 3.32Å; H318-T320 PolarHBondContact CE1-OG1 3.16Å; H318-T320 VanDerWaalsContact CE1-OG1 3.25Å; H318-T320 PolarHBondContact ND1-N 3.06Å; H318-T320 VanDerWaalsContact ND1-N 3.18Å; H318-T320 PolarHBondContact ND1-OG1 3.18Å; H318-T320 PolarHBondContact O-N 3.07Å; H318-A321 HydrophobicContact CB-CB 4.01Å; H318-A321 WeakPolarHBondContact ND1-CB 3.47Å; H318-A321 PolarHBondContact ND1-N 3.29Å
319	I	94.4	Very high	94.5	Very high	129 Å²	129	48 Å²	48	66%	0.662	31%	0.305	S	S	*	.	S	Bend	trans	-70.8	-24.1	-177.3	56.4	161.9	0	0	0	113.8	G453	I319-G453 PolarHBondContact O-N 2.73Å
320	T	92.4	Very high	94.5	Very high	58 Å²	58	50.5 Å²	50.5	36%	0.356	32%	0.315	S	S	.	.	S	Bend	trans	-138.3	-17.9	-176.2	56.5	0	0	0	0	114.8	H318 F452	H318-T320 VanDerWaalsContact C-N 3.32Å; H318-T320 PolarHBondContact CE1-OG1 3.16Å; H318-T320 VanDerWaalsContact CE1-OG1 3.25Å; H318-T320 PolarHBondContact ND1-N 3.06Å; H318-T320 VanDerWaalsContact ND1-N 3.18Å; H318-T320 PolarHBondContact ND1-OG1 3.18Å; H318-T320 PolarHBondContact O-N 3.07Å; T320-F452 HydrophobicContact CG2-CD1 4.47Å; T320-F452 HydrophobicContact CG2-CD2 3.77Å; T320-F452 HydrophobicContact CG2-CE1 4.45Å; T320-F452 HydrophobicContact CG2-CE2 3.75Å; T320-F452 HydrophobicContact CG2-CG 4.15Å; T320-F452 HydrophobicContact CG2-CZ 4.1Å
321	A	90.3	Very high	94.5	Very high	33 Å²	33	54.5 Å²	54.5	27%	0.273	33%	0.33	S	S	.	.	S	Bend	trans	-98.5	134.8	-174.4	0	0	0	0	0	107.3	H318	H318-A321 HydrophobicContact CB-CB 4.01Å; H318-A321 WeakPolarHBondContact ND1-CB 3.47Å; H318-A321 PolarHBondContact ND1-N 3.29Å
322	P	88.8	Confident	94.5	Very high	50 Å²	50	54.5 Å²	54.5	33%	0.325	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-66.8	158.9	175.7	31.6	-36.2	0	0	0	110	S324 L359 A363	P322-S324 PolarHBondContact O-N 2.84Å; P322-L359 HydrophobicContact CG-CB 4.09Å; P322-A363 HydrophobicContact CB-CB 4.29Å; P322-A363 HydrophobicContact CG-CB 4.36Å
323	S	87.6	Confident	94.5	Very high	25 Å²	25	50.3 Å²	50.3	18%	0.175	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-57.8	131.9	165.3	-165.7	0	0	0	0	110.4	D315 D325 G326 A363	D315-S323 PolarHBondContact OD2-N 3.16Å; S323-D325 WeakPolarHBondContact CB-OD1 3.45Å; S323-D325 PolarHBondContact O-N 3.03Å; S323-D325 VanDerWaalsContact O-N 3.16Å; S323-D325 PolarHBondContact OG-OD1 3.4Å; S323-G326 PolarHBondContact O-N 3.02Å; S323-A363 WeakPolarHBondContact O-CB 3.42Å
324	S	82.1	Confident	94.5	Very high	120 Å²	120	50.5 Å²	50.5	84%	0.839	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.2	-176.1	51.2	0	0	0	0	113.7	P322	P322-S324 PolarHBondContact O-N 2.84Å
325	D	86.8	Confident	94.5	Very high	75 Å²	75	50.3 Å²	50.3	40%	0.401	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.9	177.9	70.3	-13.8	0	0	0	113.7	S323 D327	S323-D325 WeakPolarHBondContact CB-OD1 3.45Å; S323-D325 PolarHBondContact O-N 3.03Å; S323-D325 VanDerWaalsContact O-N 3.16Å; S323-D325 PolarHBondContact OG-OD1 3.4Å; D325-D327 PolarHBondContact O-N 2.61Å; D325-D327 VanDerWaalsContact OD1-CB 3.32Å; D325-D327 WeakPolarHBondContact OD1-CB 3.29Å; D325-D327 PolarHBondContact OD1-N 3.3Å
326	G	95	Very high	94.6	Very high	4 Å²	4	49.1 Å²	49.1	4%	0.041	30%	0.297	C	S	.	.			trans	63.8	21.6	-178	0	0	0	0	0	114.6	S323 G328 A329 F330 A367	S323-G326 PolarHBondContact O-N 3.02Å; G326-G328 PolarHBondContact O-N 3.17Å; G326-A329 WeakPolarHBondContact O-CB 3.47Å; G326-A329 PolarHBondContact O-N 3.34Å; G326-A329 VanDerWaalsContact O-N 3.17Å; G326-F330 PolarHBondContact O-N 3.31Å; G326-A367 WeakPolarHBondContact O-CB 3.33Å
327	D	97.8	Very high	94.7	Very high	47 Å²	47	44.3 Å²	44.3	25%	0.251	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-40.6	-171	-178.4	67.9	0	0	0	114.7	D325 A329 F330 R331 R370	D325-D327 PolarHBondContact O-N 2.61Å; D325-D327 VanDerWaalsContact OD1-CB 3.32Å; D325-D327 WeakPolarHBondContact OD1-CB 3.29Å; D325-D327 PolarHBondContact OD1-N 3.3Å; D327-A329 PolarHBondContact O-N 3.48Å; D327-F330 PolarHBondContact O-N 2.94Å; D327-R331 PolarHBondContact O-N 2.91Å; D327-R331 IonicContact OD2-CZ 3.97Å; D327-R331 IonicContact OD2-NE 3.48Å; D327-R331 PolarHBondContact OD2-NE 2.86Å; D327-R331 IonicContact OD2-NH2 3.66Å; D327-R331 PolarHBondContact OD2-NH2 3.3Å; D327-R370 IonicContact OD1-CZ 2.85Å; D327-R370 IonicContact OD1-NH2 3.76Å; D327-R370 PolarHBondContact OD1-NH2 2.92Å
328	G	98.1	Very high	95	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-43.7	175.2	0	0	0	0	0	112.7	S313 D315 G326 F330 R331 C332 N456	S313-G328 VanDerWaalsContact OG-C 3.27Å; S313-G328 WeakPolarHBondContact OG-CA 3.49Å; S313-G328 PolarHBondContact OG-O 3.25Å; D315-G328 VanDerWaalsContact OD1-CA 3.32Å; D315-G328 WeakPolarHBondContact OD1-CA 3.37Å; G326-G328 PolarHBondContact O-N 3.17Å; G328-F330 PolarHBondContact O-N 2.76Å; G328-R331 PolarHBondContact O-N 2.63Å; G328-C332 PolarHBondContact O-N 3.47Å; G328-N456 WeakPolarHBondContact CA-ND2 3.39Å
329	A	98.4	Very high	95.2	Very high	7 Å²	7	49 Å²	49	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-43.7	175.2	0	0	0	0	0	111.8	G326 D327 R331 C332 M333 A367 F450	G326-A329 WeakPolarHBondContact O-CB 3.47Å; G326-A329 PolarHBondContact O-N 3.34Å; G326-A329 VanDerWaalsContact O-N 3.17Å; D327-A329 PolarHBondContact O-N 3.48Å; A329-R331 PolarHBondContact O-N 2.92Å; A329-C332 PolarHBondContact O-N 2.88Å; A329-C332 PolarHBondContact O-SG 3.25Å; A329-M333 WeakPolarHBondContact O-CB 3.33Å; A329-M333 WeakPolarHBondContact O-CE 3.32Å; A329-M333 WeakPolarHBondContact O-CG 3.41Å; A329-M333 PolarHBondContact O-N 2.82Å; A329-A367 HydrophobicContact CB-CB 3.79Å; A329-F450 HydrophobicContact CB-CD1 4.5Å; A329-F450 HydrophobicContact CB-CD2 4.43Å; A329-F450 HydrophobicContact CB-CE1 3.86Å; A329-F450 HydrophobicContact CB-CE2 3.73Å; A329-F450 HydrophobicContact CB-CZ 3.41Å; A329-F450 VanDerWaalsContact CB-CZ 3.41Å
330	F	98.6	Very high	95.4	Very high	54 Å²	54	43.6 Å²	43.6	24%	0.237	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-46.3	174.5	172.6	-87.7	0	0	0	111.8	G326 D327 G328 S334 A367 R370 L371	G326-F330 PolarHBondContact O-N 3.31Å; D327-F330 PolarHBondContact O-N 2.94Å; G328-F330 PolarHBondContact O-N 2.76Å; F330-S334 VanDerWaalsContact O-CB 3.25Å; F330-S334 WeakPolarHBondContact O-CB 3.27Å; F330-S334 PolarHBondContact O-N 3.28Å; F330-S334 PolarHBondContact O-OG 3.42Å; F330-A367 HydrophobicContact CB-CB 4.23Å; F330-R370 VanDerWaalsContact CD1-NH2 3.29Å; F330-R370 HydrophobicContact CD2-CB 4.18Å; F330-R370 HydrophobicContact CD2-CG 4.01Å; F330-R370 VanDerWaalsContact CD2-NE 3.34Å; F330-R370 HydrophobicContact CE2-CB 4.46Å; F330-R370 HydrophobicContact CE2-CG 3.97Å; F330-L371 HydrophobicContact CD2-CB 3.82Å; F330-L371 HydrophobicContact CD2-CD1 4.38Å; F330-L371 HydrophobicContact CE2-CB 3.92Å; F330-L371 HydrophobicContact CE2-CD1 3.94Å; F330-L371 HydrophobicContact CZ-CD1 4.4Å
331	R	98.7	Very high	95.6	Very high	96 Å²	96	45.3 Å²	45.3	36%	0.362	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-40.6	-179.5	-78.2	-173.1	-73.5	113	2.6	112.5	G314 D327 G328 A329 S334 A335	G314-R331 PolarHBondContact O-NH1 3.1Å; G314-R331 VanDerWaalsContact O-NH1 3.14Å; G314-R331 PolarHBondContact O-NH2 2.9Å; D327-R331 PolarHBondContact O-N 2.91Å; D327-R331 IonicContact OD2-CZ 3.97Å; D327-R331 IonicContact OD2-NE 3.48Å; D327-R331 PolarHBondContact OD2-NE 2.86Å; D327-R331 IonicContact OD2-NH2 3.66Å; D327-R331 PolarHBondContact OD2-NH2 3.3Å; G328-R331 PolarHBondContact O-N 2.63Å; A329-R331 PolarHBondContact O-N 2.92Å; R331-S334 PolarHBondContact O-N 2.82Å; R331-A335 WeakPolarHBondContact O-CB 3.09Å; R331-A335 PolarHBondContact O-N 2.9Å
332	C	98.5	Very high	95.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-70.3	-42.2	179.8	70.6	0	0	0	0	111.5	G328 A329 S334 A335 A336 F450 N456 S458	G328-C332 PolarHBondContact O-N 3.47Å; A329-C332 PolarHBondContact O-N 2.88Å; A329-C332 PolarHBondContact O-SG 3.25Å; C332-S334 PolarHBondContact O-N 2.77Å; C332-A335 PolarHBondContact O-N 2.93Å; C332-A336 PolarHBondContact O-N 2.91Å; C332-F450 VanDerWaalsContact SG-CE1 3.59Å; C332-N456 HydrophobicContact CB-CB 4Å; C332-S458 PolarHBondContact SG-OG 2.88Å
333	M	98.9	Very high	96.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-45.6	173.3	-72.3	-170.9	-72.6	0	0	111.1	A329 A335 A336 L337 A367 I368 L371 L446 N448 S458	A329-M333 WeakPolarHBondContact O-CB 3.33Å; A329-M333 WeakPolarHBondContact O-CE 3.32Å; A329-M333 WeakPolarHBondContact O-CG 3.41Å; A329-M333 PolarHBondContact O-N 2.82Å; M333-A335 VanDerWaalsContact C-N 3.28Å; M333-A335 PolarHBondContact O-N 3.19Å; M333-A336 PolarHBondContact O-N 2.81Å; M333-L337 WeakPolarHBondContact O-CG 3.43Å; M333-L337 PolarHBondContact O-N 2.86Å; M333-A367 HydrophobicContact CE-CB 3.9Å; M333-I368 HydrophobicContact CE-CG1 3.95Å; M333-I368 HydrophobicContact SD-CG1 4.07Å; M333-L371 HydrophobicContact CB-CD2 3.38Å; M333-L371 HydrophobicContact CE-CD2 4.2Å; M333-L371 HydrophobicContact CG-CD2 4.38Å; M333-L371 HydrophobicContact SD-CD2 4.2Å; M333-L446 HydrophobicContact CB-CD1 4.09Å; M333-L446 HydrophobicContact CG-CD1 4.07Å; M333-L446 HydrophobicContact SD-CD1 4.12Å; M333-N448 WeakPolarHBondContact CG-OD1 3.42Å; M333-N448 PolarHBondContact SD-ND2 3.04Å; M333-S458 VanDerWaalsContact CG-OG 3.32Å; M333-S458 WeakPolarHBondContact CG-OG 3.48Å; M333-S458 PolarHBondContact N-OG 2.94Å
334	S	98.8	Very high	96.7	Very high	23 Å²	23	45.8 Å²	45.8	16%	0.161	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-37.4	176.5	-60.3	0	0	0	0	112.7	F330 R331 C332 R338 L371	F330-S334 VanDerWaalsContact O-CB 3.25Å; F330-S334 WeakPolarHBondContact O-CB 3.27Å; F330-S334 PolarHBondContact O-N 3.28Å; F330-S334 PolarHBondContact O-OG 3.42Å; R331-S334 PolarHBondContact O-N 2.82Å; C332-S334 PolarHBondContact O-N 2.77Å; S334-R338 WeakPolarHBondContact O-CB 3.46Å; S334-R338 PolarHBondContact O-N 3.22Å; S334-L371 WeakPolarHBondContact OG-CD1 3.41Å
335	A	98.9	Very high	97.3	Very high	32 Å²	32	42.3 Å²	42.3	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-68.3	-41.3	176.2	0	0	0	0	0	111.6	R331 C332 M333 R338 D339	R331-A335 WeakPolarHBondContact O-CB 3.09Å; R331-A335 PolarHBondContact O-N 2.9Å; C332-A335 PolarHBondContact O-N 2.93Å; M333-A335 VanDerWaalsContact C-N 3.28Å; M333-A335 PolarHBondContact O-N 3.19Å; A335-R338 PolarHBondContact O-N 3.12Å; A335-D339 WeakPolarHBondContact O-CB 3.3Å; A335-D339 PolarHBondContact O-N 3Å
336	A	98.9	Very high	97.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-42.1	177.5	0	0	0	0	0	112	C332 M333 D339 A340 L446 S458	C332-A336 PolarHBondContact O-N 2.91Å; M333-A336 PolarHBondContact O-N 2.81Å; A336-D339 PolarHBondContact O-N 3.31Å; A336-A340 VanDerWaalsContact O-CB 3.32Å; A336-A340 WeakPolarHBondContact O-CB 3.3Å; A336-A340 PolarHBondContact O-N 3.08Å; A336-L446 HydrophobicContact CB-CD2 4.24Å; A336-S458 WeakPolarHBondContact CB-O 3.4Å
337	L	98.7	Very high	97.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-40.3	175	-67.4	-178.9	0	0	0	112.2	M333 A340 A341 V342 P344 V347 L371 L446	M333-L337 WeakPolarHBondContact O-CG 3.43Å; M333-L337 PolarHBondContact O-N 2.86Å; L337-A340 CarbonylContact O-C 3.54Å; L337-A340 PolarHBondContact O-N 3.07Å; L337-A341 PolarHBondContact O-N 3.45Å; L337-V342 HydrophobicContact CD2-CB 4.49Å; L337-V342 HydrophobicContact CD2-CG1 4.27Å; L337-V342 PolarHBondContact O-N 3.41Å; L337-P344 HydrophobicContact CD1-CB 4.21Å; L337-P344 HydrophobicContact CD1-CG 3.81Å; L337-V347 HydrophobicContact CD2-CG2 3.66Å; L337-L371 HydrophobicContact CD1-CD1 4.45Å; L337-L371 HydrophobicContact CD1-CD2 4.01Å; L337-L371 HydrophobicContact CD1-CG 4.41Å; L337-L446 HydrophobicContact CD2-CD1 4.23Å; L337-L446 HydrophobicContact CD2-CD2 3.95Å; L337-L446 HydrophobicContact CD2-CG 4.32Å; L337-L446 HydrophobicContact CG-CD1 4.36Å; L337-L446 HydrophobicContact CG-CD2 4.42Å
338	R	98.7	Very high	97.9	Very high	202 Å²	202	41.3 Å²	41.3	76%	0.762	23%	0.233	S	C	*	.	H	α-helix	trans	-64.2	-43.2	176.1	-169.3	-168.3	-47.4	-151.5	1.6	111.9	S334 A335 A340 A341	S334-R338 WeakPolarHBondContact O-CB 3.46Å; S334-R338 PolarHBondContact O-N 3.22Å; A335-R338 PolarHBondContact O-N 3.12Å; R338-A340 VanDerWaalsContact C-N 3.32Å; R338-A341 PolarHBondContact O-N 3.13Å; R338-A341 VanDerWaalsContact O-N 3.16Å
339	D	98.6	Very high	97.9	Very high	68 Å²	68	41.3 Å²	41.3	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-40	176.5	-164.7	52.2	0	0	0	111.3	R224 G309 Y310 A335 A336 A341	R224-D339 IonicContact CZ-OD1 3.18Å; R224-D339 IonicContact CZ-OD2 3.83Å; R224-D339 IonicContact NE-OD2 3.73Å; R224-D339 IonicContact NH1-OD1 3.39Å; R224-D339 IonicContact NH2-OD1 2.72Å; R224-D339 PolarHBondContact NH2-OD1 3.27Å; R224-D339 IonicContact NH2-OD2 3.47Å; R224-D339 PolarHBondContact NH2-OD2 3.27Å; G309-D339 WeakPolarHBondContact CA-OD2 3.47Å; Y310-D339 PolarHBondContact N-OD2 3.17Å; A335-D339 WeakPolarHBondContact O-CB 3.3Å; A335-D339 PolarHBondContact O-N 3Å; A336-D339 PolarHBondContact O-N 3.31Å; D339-A341 PolarHBondContact O-N 2.96Å
340	A	98.1	Very high	97.9	Very high	16 Å²	16	41 Å²	41	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-71.4	-12.9	174.3	0	0	0	0	0	114.4	L308 A336 L337 R338 V342 C460	L308-A340 HydrophobicContact CB-CB 3.71Å; L308-A340 VanDerWaalsContact O-CA 3.3Å; L308-A340 WeakPolarHBondContact O-CA 3.31Å; A336-A340 VanDerWaalsContact O-CB 3.32Å; A336-A340 WeakPolarHBondContact O-CB 3.3Å; A336-A340 PolarHBondContact O-N 3.08Å; L337-A340 CarbonylContact O-C 3.54Å; L337-A340 PolarHBondContact O-N 3.07Å; R338-A340 VanDerWaalsContact C-N 3.32Å; A340-V342 HydrophobicContact CB-CB 4.06Å; A340-V342 HydrophobicContact CB-CG2 3.83Å; A340-V342 PolarHBondContact O-N 3.28Å; A340-C460 HydrophobicContact CB-CB 3.92Å
341	A	97.5	Very high	97.9	Very high	94 Å²	94	38.4 Å²	38.4	78%	0.777	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.1	-167.3	0	0	0	0	0	113.1	L337 R338 D339	L337-A341 PolarHBondContact O-N 3.45Å; R338-A341 PolarHBondContact O-N 3.13Å; R338-A341 VanDerWaalsContact O-N 3.16Å; D339-A341 PolarHBondContact O-N 2.96Å
342	V	96.8	Very high	98	Very high	24 Å²	24	33.9 Å²	33.9	15%	0.145	20%	0.202	C	C	.	.			trans	-115.5	142.4	-176.8	170.7	0	0	0	0	110.4	L308 L337 A340 D346 V347 L444	L308-V342 HydrophobicContact CD1-CG2 4.25Å; L337-V342 HydrophobicContact CD2-CB 4.49Å; L337-V342 HydrophobicContact CD2-CG1 4.27Å; L337-V342 PolarHBondContact O-N 3.41Å; A340-V342 HydrophobicContact CB-CB 4.06Å; A340-V342 HydrophobicContact CB-CG2 3.83Å; A340-V342 PolarHBondContact O-N 3.28Å; V342-D346 HydrophobicContact CG1-CB 3.76Å; V342-V347 HydrophobicContact CG1-CG2 4.08Å; V342-L444 HydrophobicContact CG1-CD1 4.18Å; V342-L444 HydrophobicContact CG2-CD2 4.42Å
343	S	96.2	Very high	98	Very high	56 Å²	56	34.6 Å²	34.6	39%	0.392	21%	0.206	S	C	.	.			trans	-81.2	148.3	174	179.1	0	0	0	0	111	A345 D346	S343-A345 PolarHBondContact O-N 3.44Å; S343-A345 VanDerWaalsContact O-N 3.08Å; S343-A345 PolarHBondContact OG-N 2.87Å; S343-D346 VanDerWaalsContact CB-OD2 3.24Å; S343-D346 WeakPolarHBondContact CB-OD2 3.49Å; S343-D346 PolarHBondContact N-OD2 2.99Å; S343-D346 PolarHBondContact O-N 2.9Å
344	P	96.6	Very high	98	Very high	37 Å²	37	34.6 Å²	34.6	24%	0.24	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-51.8	-30.4	169.4	-25.7	33.1	0	0	0	113.7	L337 D346 V347 L371 F372	L337-P344 HydrophobicContact CD1-CB 4.21Å; L337-P344 HydrophobicContact CD1-CG 3.81Å; P344-D346 VanDerWaalsContact C-N 3.26Å; P344-D346 PolarHBondContact O-N 2.77Å; P344-V347 PolarHBondContact O-N 3.05Å; P344-L371 HydrophobicContact CG-CD1 4.2Å; P344-F372 HydrophobicContact CB-CD1 4.21Å; P344-F372 HydrophobicContact CB-CE1 4.39Å; P344-F372 VanDerWaalsContact O-CD1 3.27Å; P344-F372 WeakPolarHBondContact O-CD1 3.44Å; P344-F372 WeakPolarHBondContact O-CE1 3.45Å
345	A	94.9	Very high	98	Very high	47 Å²	47	34 Å²	34	39%	0.388	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-69.3	-19.9	178.7	0	0	0	0	0	114.5	S343 S375	S343-A345 PolarHBondContact O-N 3.44Å; S343-A345 VanDerWaalsContact O-N 3.08Å; S343-A345 PolarHBondContact OG-N 2.87Å; A345-S375 WeakPolarHBondContact CA-OG 3.27Å; A345-S375 WeakPolarHBondContact CB-OG 3.33Å
346	D	95.5	Very high	97.9	Very high	81 Å²	81	32.5 Å²	32.5	43%	0.433	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-85.3	-22.9	-179.4	-53.7	-44.5	0	0	0	111.8	V342 S343 P344 L444	V342-D346 HydrophobicContact CG1-CB 3.76Å; S343-D346 VanDerWaalsContact CB-OD2 3.24Å; S343-D346 WeakPolarHBondContact CB-OD2 3.49Å; S343-D346 PolarHBondContact N-OD2 2.99Å; S343-D346 PolarHBondContact O-N 2.9Å; P344-D346 VanDerWaalsContact C-N 3.26Å; P344-D346 PolarHBondContact O-N 2.77Å; D346-L444 HydrophobicContact CB-CD1 3.67Å
347	V	97.9	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.			trans	-81.8	124.3	178.9	171.2	0	0	0	0	109.8	L337 V342 P344 Y349 F372 L379 L444 L446	L337-V347 HydrophobicContact CD2-CG2 3.66Å; V342-V347 HydrophobicContact CG1-CG2 4.08Å; P344-V347 PolarHBondContact O-N 3.05Å; V347-Y349 WeakPolarHBondContact CG1-O 3.46Å; V347-F372 HydrophobicContact CB-CE1 3.76Å; V347-F372 HydrophobicContact CB-CZ 4.02Å; V347-F372 HydrophobicContact CG1-CE1 3.86Å; V347-F372 HydrophobicContact CG1-CZ 3.79Å; V347-L379 HydrophobicContact CG1-CD1 4.42Å; V347-L444 HydrophobicContact CG2-CB 4.18Å; V347-L446 HydrophobicContact CG1-CG 4.21Å
348	T	98	Very high	97.8	Very high	25 Å²	25	36.7 Å²	36.7	15%	0.153	22%	0.215	C	C	.	.			trans	-118.3	-2.8	-175.1	51.8	0	0	0	0	113.3	A380 W437 T439 L444	T348-A380 PolarHBondContact O-N 2.82Å; T348-W437 WeakPolarHBondContact OG1-CZ2 3.32Å; T348-W437 PolarHBondContact OG1-NE1 2.95Å; T348-T439 HydrophobicContact CG2-CG2 4.48Å; T348-L444 PolarHBondContact N-O 3.26Å; T348-L444 VanDerWaalsContact N-O 3.07Å
349	Y	98.9	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.9	174.4	177.7	-124.9	0	0	0	112.5	V347 N351 A380 S382 A406 L412 P413 W437 L444 A445 L446	V347-Y349 WeakPolarHBondContact CG1-O 3.46Å; Y349-N351 HydrophobicContact CE1-CB 4.1Å; Y349-A380 CarbonylContact C-O 2.84Å; Y349-A380 VanDerWaalsContact CA-O 3.25Å; Y349-A380 WeakPolarHBondContact CA-O 3.42Å; Y349-A380 HydrophobicContact CD2-CB 4.18Å; Y349-A380 WeakPolarHBondContact CD2-O 3.48Å; Y349-S382 PolarHBondContact OH-OG 2.81Å; Y349-A406 HydrophobicContact CE1-CB 4.3Å; Y349-L412 HydrophobicContact CD1-CD2 3.93Å; Y349-L412 HydrophobicContact CD2-CD1 4.25Å; Y349-L412 HydrophobicContact CD2-CD2 3.56Å; Y349-L412 HydrophobicContact CD2-CG 4.4Å; Y349-L412 HydrophobicContact CE1-CD2 4.36Å; Y349-L412 HydrophobicContact CE2-CD2 4.02Å; Y349-L412 HydrophobicContact CG-CD2 3.53Å; Y349-P413 WeakPolarHBondContact OH-CD 3.32Å; Y349-P413 WeakPolarHBondContact OH-CG 3.46Å; Y349-W437 HydrophobicContact CD1-CE3 4.5Å; Y349-W437 HydrophobicContact CD1-CH2 4.07Å; Y349-W437 AromaticContact CD1-CZ3 3.96Å; Y349-W437 HydrophobicContact CD1-CZ3 3.96Å; Y349-W437 HydrophobicContact CG-CH2 4.27Å; Y349-W437 HydrophobicContact CG-CZ2 4.37Å; Y349-W437 HydrophobicContact CG-CZ3 4.39Å; Y349-L444 PolarHBondContact N-O 2.92Å; Y349-A445 HydrophobicContact CD1-CB 3.79Å; Y349-A445 HydrophobicContact CG-CB 4.4Å; Y349-A445 WeakPolarHBondContact O-CA 3.13Å; Y349-A445 WeakPolarHBondContact O-CB 3.24Å; Y349-L446 PolarHBondContact O-N 3.17Å
350	I	98.9	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.5	168.2	-55.3	-179	0	0	0	109.4	A352 I368 F372 L379 A380 V381 S382 L446	I350-A352 PolarHBondContact O-N 2.95Å; I350-I368 HydrophobicContact CD1-CB 4.42Å; I350-I368 HydrophobicContact CD1-CD1 3.98Å; I350-I368 HydrophobicContact CD1-CG1 3.84Å; I350-I368 HydrophobicContact CD1-CG2 3.75Å; I350-I368 HydrophobicContact CG2-CD1 4.24Å; I350-F372 HydrophobicContact CD1-CD2 4.26Å; I350-F372 HydrophobicContact CD1-CE2 3.53Å; I350-F372 HydrophobicContact CD1-CZ 3.77Å; I350-F372 HydrophobicContact CG1-CZ 4.36Å; I350-L379 HydrophobicContact CD1-CD1 4.13Å; I350-L379 HydrophobicContact CD1-CD2 3.93Å; I350-L379 HydrophobicContact CG1-CD1 3.84Å; I350-L379 HydrophobicContact CG1-CD2 4.48Å; I350-A380 PolarHBondContact N-O 3.14Å; I350-V381 HydrophobicContact CB-CG1 4.38Å; I350-V381 HydrophobicContact CB-CG2 4.27Å; I350-V381 CarbonylContact O-C 3.58Å; I350-V381 WeakPolarHBondContact O-CA 3.32Å; I350-S382 PolarHBondContact O-N 2.72Å; I350-L446 CarbonylContact C-O 3.59Å; I350-L446 VanDerWaalsContact CA-O 3.28Å; I350-L446 WeakPolarHBondContact CA-O 3.41Å; I350-L446 HydrophobicContact CG1-CB 4.29Å; I350-L446 HydrophobicContact CG2-CB 4.41Å
351	N	98.9	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	104.2	159.1	-167	-26.3	0	0	0	108.1	Y349 E399 T403 L446 T447 N448	Y349-N351 HydrophobicContact CE1-CB 4.1Å; N351-E399 PolarHBondContact ND2-O 3.48Å; N351-T403 VanDerWaalsContact CB-OG1 3.23Å; N351-T403 WeakPolarHBondContact CB-OG1 3.44Å; N351-T403 PolarHBondContact ND2-OG1 3.09Å; N351-L446 PolarHBondContact N-O 2.8Å; N351-T447 WeakPolarHBondContact O-CA 3.43Å; N351-N448 PolarHBondContact O-N 2.98Å
352	A	98.9	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.166	C	C	.	.			trans	-77.7	150.9	-171.7	0	0	0	0	0	112.1	F272 I350 A354 E364 V381 S382 K385	F272-A352 HydrophobicContact CZ-CB 3.78Å; I350-A352 PolarHBondContact O-N 2.95Å; A352-A354 VanDerWaalsContact C-N 3.27Å; A352-A354 HydrophobicContact CB-CB 4.11Å; A352-A354 PolarHBondContact O-N 2.64Å; A352-E364 WeakPolarHBondContact CA-OE1 3.47Å; A352-V381 HydrophobicContact CB-CG1 3.79Å; A352-S382 WeakPolarHBondContact CB-O 3.27Å; A352-S382 PolarHBondContact N-O 3Å; A352-K385 PolarHBondContact O-NZ 2.85Å
353	H	98.9	Very high	97.8	Very high	16 Å²	16	25.5 Å²	25.5	7%	0.074	16%	0.162	C	C	.	.			trans	-67.1	-31.9	169.4	-177.6	56.1	0	0	0	111.9	T355 E364 K385 H390 N448 F450	H353-T355 VanDerWaalsContact NE2-CG2 3.3Å; H353-T355 WeakPolarHBondContact NE2-CG2 3.31Å; H353-T355 VanDerWaalsContact O-CG2 3.27Å; H353-T355 WeakPolarHBondContact O-CG2 3.39Å; H353-T355 PolarHBondContact O-N 3.08Å; H353-E364 WeakPolarHBondContact CA-OE2 3.46Å; H353-E364 VanDerWaalsContact N-CD 3.33Å; H353-E364 PolarHBondContact N-OE1 3.2Å; H353-E364 PolarHBondContact N-OE2 2.76Å; H353-K385 WeakPolarHBondContact O-CD 3.45Å; H353-K385 WeakPolarHBondContact O-CE 3.48Å; H353-K385 PolarHBondContact O-NZ 3.23Å; H353-H390 AromaticContact CE1-CE1 3.91Å; H353-N448 HydrophobicContact CB-CB 4.29Å; H353-F450 HydrophobicContact CB-CD2 3.59Å; H353-F450 HydrophobicContact CB-CE2 3.84Å; H353-F450 HydrophobicContact CB-CG 4.2Å; H353-F450 AromaticContact CD2-CD2 3.78Å; H353-F450 PolarHBondContact CE1-O 3.47Å; H353-F450 AromaticContact CG-CD2 3.88Å; H353-F450 PolarHBondContact ND1-N 2.64Å; H353-F450 PolarHBondContact NE2-O 2.85Å
354	A	98.6	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.144	C	C	.	.			trans	-22.4	107.9	-174.3	0	0	0	0	0	114.2	P271 F272 A352 D361 E364 S383	P271-A354 HydrophobicContact CB-CB 4.05Å; F272-A354 HydrophobicContact CD1-CB 4.11Å; F272-A354 HydrophobicContact CE1-CB 3.29Å; F272-A354 HydrophobicContact CE2-CB 3.98Å; F272-A354 HydrophobicContact CZ-CB 3.22Å; A352-A354 VanDerWaalsContact C-N 3.27Å; A352-A354 HydrophobicContact CB-CB 4.11Å; A352-A354 PolarHBondContact O-N 2.64Å; A354-D361 WeakPolarHBondContact CA-OD1 3.38Å; A354-D361 HydrophobicContact CB-CB 4.38Å; A354-E364 WeakPolarHBondContact CA-OE2 3.14Å; A354-E364 PolarHBondContact N-OE2 3Å; A354-S383 WeakPolarHBondContact O-CB 3.42Å; A354-S383 PolarHBondContact O-OG 3.07Å
355	T	98.6	Very high	98	Very high	10 Å²	10	21.4 Å²	21.4	6%	0.061	13%	0.134	C	C	.	.			trans	-99.3	12.1	-168.8	51.6	0	0	0	0	112.4	F279 H353 T357 D361 K385	F279-T355 WeakPolarHBondContact CA-O 2.96Å; F279-T355 WeakPolarHBondContact CB-O 3.44Å; H353-T355 VanDerWaalsContact NE2-CG2 3.3Å; H353-T355 WeakPolarHBondContact NE2-CG2 3.31Å; H353-T355 VanDerWaalsContact O-CG2 3.27Å; H353-T355 WeakPolarHBondContact O-CG2 3.39Å; H353-T355 PolarHBondContact O-N 3.08Å; T355-T357 VanDerWaalsContact C-N 3.34Å; T355-T357 WeakPolarHBondContact OG1-CG2 3.37Å; T355-T357 PolarHBondContact OG1-OG1 2.84Å; T355-D361 PolarHBondContact N-OD1 3.24Å; T355-K385 HydrophobicContact CG2-CD 3.81Å
356	S	98.6	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	68.9	33.5	-171.8	-171.7	0	0	0	0	112.1	R270 R276 G278 D361	R270-S356 WeakPolarHBondContact CG-OG 3.33Å; R270-S356 PolarHBondContact N-OG 3.36Å; R270-S356 PolarHBondContact O-OG 3.45Å; R276-S356 WeakPolarHBondContact CB-O 3.27Å; R276-S356 WeakPolarHBondContact CB-OG 3.44Å; G278-S356 CarbonylContact C-O 3.59Å; G278-S356 WeakPolarHBondContact CA-O 3.43Å; G278-S356 PolarHBondContact N-O 3.27Å; S356-D361 WeakPolarHBondContact CA-OD2 3.28Å; S356-D361 PolarHBondContact N-OD1 2.97Å; S356-D361 VanDerWaalsContact N-OD1 3.11Å; S356-D361 PolarHBondContact N-OD2 2.99Å
357	T	98.3	Very high	98.2	Very high	27 Å²	27	17.4 Å²	17.4	17%	0.166	11%	0.112	C	C	.	.			trans	-106.5	141.7	176.4	60.2	0	0	0	0	110.8	R276 T355 L359 G360 D361	R276-T357 PolarHBondContact NE-O 3.37Å; T355-T357 VanDerWaalsContact C-N 3.34Å; T355-T357 WeakPolarHBondContact OG1-CG2 3.37Å; T355-T357 PolarHBondContact OG1-OG1 2.84Å; T357-L359 PolarHBondContact O-N 2.93Å; T357-G360 WeakPolarHBondContact OG1-CA 3.14Å; T357-G360 PolarHBondContact OG1-N 3.32Å; T357-D361 PolarHBondContact N-OD1 3.48Å; T357-D361 VanDerWaalsContact N-OD1 3.07Å; T357-D361 WeakPolarHBondContact O-CB 3.34Å; T357-D361 VanDerWaalsContact O-CG 3.28Å; T357-D361 PolarHBondContact O-N 2.97Å
358	P	97.2	Very high	98.3	Very high	67 Å²	67	17.4 Å²	17.4	44%	0.435	11%	0.112	S	C	.	.	H	α-helix	trans	-55.6	-51.3	-178.3	-29.4	35.7	0	0	0	113.6	R276 A362	R276-P358 PolarHBondContact NH2-O 3.37Å; P358-A362 WeakPolarHBondContact O-CB 3.24Å
359	L	96.6	Very high	98.2	Very high	123 Å²	123	19.4 Å²	19.4	64%	0.644	12%	0.119	S	C	*	.	H	α-helix	trans	-77.5	-40.6	-176.8	-63.3	177.6	0	0	0	112.9	P322 T357 A363	P322-L359 HydrophobicContact CG-CB 4.09Å; T357-L359 PolarHBondContact O-N 2.93Å; L359-A363 VanDerWaalsContact O-CB 3.28Å; L359-A363 WeakPolarHBondContact O-CB 3.16Å; L359-A363 PolarHBondContact O-N 3.46Å
360	G	97.8	Very high	98.2	Very high	16 Å²	16	23.5 Å²	23.5	17%	0.165	13%	0.134	C	C	.	.	H	α-helix	trans	-66.5	-50.3	-175.8	0	0	0	0	0	112.4	T357 A362 A363 E364	T357-G360 WeakPolarHBondContact OG1-CA 3.14Å; T357-G360 PolarHBondContact OG1-N 3.32Å; G360-A362 VanDerWaalsContact C-N 3.3Å; G360-A362 PolarHBondContact O-N 3.36Å; G360-A363 PolarHBondContact O-N 3.46Å; G360-E364 PolarHBondContact O-N 3.38Å
361	D	98.5	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-38.3	-178.9	-64.2	23.4	0	0	0	111.2	P271 F272 R276 A354 T355 S356 T357 N365 F425	P271-D361 VanDerWaalsContact CA-OD2 3.28Å; P271-D361 WeakPolarHBondContact CA-OD2 3.47Å; F272-D361 HydrophobicContact CD1-CB 4.07Å; F272-D361 HydrophobicContact CE1-CB 4.46Å; F272-D361 PolarHBondContact N-OD2 3.03Å; R276-D361 WeakPolarHBondContact CD-OD2 3.49Å; R276-D361 IonicContact NE-OD2 3.55Å; A354-D361 WeakPolarHBondContact CA-OD1 3.38Å; A354-D361 HydrophobicContact CB-CB 4.38Å; T355-D361 PolarHBondContact N-OD1 3.24Å; S356-D361 WeakPolarHBondContact CA-OD2 3.28Å; S356-D361 PolarHBondContact N-OD1 2.97Å; S356-D361 VanDerWaalsContact N-OD1 3.11Å; S356-D361 PolarHBondContact N-OD2 2.99Å; T357-D361 PolarHBondContact N-OD1 3.48Å; T357-D361 VanDerWaalsContact N-OD1 3.07Å; T357-D361 WeakPolarHBondContact O-CB 3.34Å; T357-D361 VanDerWaalsContact O-CG 3.28Å; T357-D361 PolarHBondContact O-N 2.97Å; D361-N365 VanDerWaalsContact O-CB 3.24Å; D361-N365 WeakPolarHBondContact O-CB 3.48Å; D361-N365 PolarHBondContact O-N 3.49Å; D361-F425 HydrophobicContact CB-CE1 4.47Å
362	A	97.8	Very high	98	Very high	23 Å²	23	24.6 Å²	24.6	19%	0.19	14%	0.14	C	C	.	.	H	α-helix	trans	-67.9	-44.2	176.6	0	0	0	0	0	112.4	P358 G360 N365 A366 F425	P358-A362 WeakPolarHBondContact O-CB 3.24Å; G360-A362 VanDerWaalsContact C-N 3.3Å; G360-A362 PolarHBondContact O-N 3.36Å; A362-N365 PolarHBondContact O-N 2.93Å; A362-A366 WeakPolarHBondContact O-CB 3.34Å; A362-A366 PolarHBondContact O-N 3.4Å; A362-F425 HydrophobicContact CB-CZ 4.1Å
363	A	97.9	Very high	97.7	Very high	7 Å²	7	30.3 Å²	30.3	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-43.3	178.3	0	0	0	0	0	112	P322 S323 L359 G360 A366 A367	P322-A363 HydrophobicContact CB-CB 4.29Å; P322-A363 HydrophobicContact CG-CB 4.36Å; S323-A363 WeakPolarHBondContact O-CB 3.42Å; L359-A363 VanDerWaalsContact O-CB 3.28Å; L359-A363 WeakPolarHBondContact O-CB 3.16Å; L359-A363 PolarHBondContact O-N 3.46Å; G360-A363 PolarHBondContact O-N 3.46Å; A363-A366 PolarHBondContact O-N 3.2Å; A363-A367 WeakPolarHBondContact O-CB 3.49Å; A363-A367 PolarHBondContact O-N 2.92Å
364	E	98.6	Very high	97.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-44.1	175.9	-178.9	169.5	-150.4	0	0	111.6	A352 H353 A354 G360 A366 A367 I368 N448 F450	A352-E364 WeakPolarHBondContact CA-OE1 3.47Å; H353-E364 WeakPolarHBondContact CA-OE2 3.46Å; H353-E364 VanDerWaalsContact N-CD 3.33Å; H353-E364 PolarHBondContact N-OE1 3.2Å; H353-E364 PolarHBondContact N-OE2 2.76Å; A354-E364 WeakPolarHBondContact CA-OE2 3.14Å; A354-E364 PolarHBondContact N-OE2 3Å; G360-E364 PolarHBondContact O-N 3.38Å; E364-A366 VanDerWaalsContact C-N 3.32Å; E364-A366 PolarHBondContact O-N 3.44Å; E364-A367 PolarHBondContact O-N 3.33Å; E364-I368 HydrophobicContact CG-CD1 3.79Å; E364-I368 HydrophobicContact CG-CG1 4.31Å; E364-I368 WeakPolarHBondContact O-CG1 3.4Å; E364-I368 PolarHBondContact O-N 3.35Å; E364-N448 WeakPolarHBondContact OE1-CB 3.46Å; E364-N448 PolarHBondContact OE1-ND2 2.83Å; E364-F450 HydrophobicContact CB-CE2 4.05Å; E364-F450 HydrophobicContact CG-CE2 3.78Å; E364-F450 HydrophobicContact CG-CZ 4.5Å; E364-F450 WeakPolarHBondContact OE1-CE2 3.24Å
365	N	98.1	Very high	96.8	Very high	5 Å²	5	39 Å²	39	3%	0.027	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-44.6	176	179.1	59.7	0	0	0	112	D361 A362 I368 K369 E424 F425 Y429	D361-N365 VanDerWaalsContact O-CB 3.24Å; D361-N365 WeakPolarHBondContact O-CB 3.48Å; D361-N365 PolarHBondContact O-N 3.49Å; A362-N365 PolarHBondContact O-N 2.93Å; N365-I368 PolarHBondContact O-N 3.09Å; N365-K369 WeakPolarHBondContact O-CB 3.44Å; N365-K369 WeakPolarHBondContact O-CG 3.41Å; N365-K369 PolarHBondContact O-N 3.5Å; N365-E424 PolarHBondContact ND2-O 2.9Å; N365-F425 HydrophobicContact CB-CD1 3.91Å; N365-F425 HydrophobicContact CB-CE1 3.6Å; N365-Y429 PolarHBondContact OD1-OH 2.92Å
366	A	97.3	Very high	96.3	Very high	44 Å²	44	40.1 Å²	40.1	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-43.6	176.1	0	0	0	0	0	111.9	A362 A363 E364 K369 R370	A362-A366 WeakPolarHBondContact O-CB 3.34Å; A362-A366 PolarHBondContact O-N 3.4Å; A363-A366 PolarHBondContact O-N 3.2Å; E364-A366 VanDerWaalsContact C-N 3.32Å; E364-A366 PolarHBondContact O-N 3.44Å; A366-K369 PolarHBondContact O-N 3.45Å; A366-R370 VanDerWaalsContact O-CB 3.27Å; A366-R370 WeakPolarHBondContact O-CB 3.47Å; A366-R370 PolarHBondContact O-N 2.9Å
367	A	98.4	Very high	95.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-43.3	177.6	0	0	0	0	0	112.5	G326 A329 F330 M333 A363 E364 R370 L371	G326-A367 WeakPolarHBondContact O-CB 3.33Å; A329-A367 HydrophobicContact CB-CB 3.79Å; F330-A367 HydrophobicContact CB-CB 4.23Å; M333-A367 HydrophobicContact CE-CB 3.9Å; A363-A367 WeakPolarHBondContact O-CB 3.49Å; A363-A367 PolarHBondContact O-N 2.92Å; E364-A367 PolarHBondContact O-N 3.33Å; A367-R370 PolarHBondContact O-N 2.68Å; A367-L371 WeakPolarHBondContact O-CB 3.37Å; A367-L371 PolarHBondContact O-N 3.36Å
368	I	98.5	Very high	95.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-53.1	176.4	-69.9	168.5	0	0	0	109.8	M333 I350 E364 N365 R370 L371 F372 L379 V381 L427	M333-I368 HydrophobicContact CE-CG1 3.95Å; M333-I368 HydrophobicContact SD-CG1 4.07Å; I350-I368 HydrophobicContact CD1-CB 4.42Å; I350-I368 HydrophobicContact CD1-CD1 3.98Å; I350-I368 HydrophobicContact CD1-CG1 3.84Å; I350-I368 HydrophobicContact CD1-CG2 3.75Å; I350-I368 HydrophobicContact CG2-CD1 4.24Å; E364-I368 HydrophobicContact CG-CD1 3.79Å; E364-I368 HydrophobicContact CG-CG1 4.31Å; E364-I368 WeakPolarHBondContact O-CG1 3.4Å; E364-I368 PolarHBondContact O-N 3.35Å; N365-I368 PolarHBondContact O-N 3.09Å; I368-R370 PolarHBondContact O-N 2.97Å; I368-L371 PolarHBondContact O-N 3.47Å; I368-L371 VanDerWaalsContact O-N 3.11Å; I368-F372 HydrophobicContact CG2-CD2 4.08Å; I368-F372 WeakPolarHBondContact O-CD2 3.19Å; I368-F372 PolarHBondContact O-N 2.95Å; I368-L379 HydrophobicContact CG2-CD2 3.59Å; I368-V381 HydrophobicContact CD1-CG1 4.17Å; I368-V381 HydrophobicContact CD1-CG2 4.43Å; I368-V381 HydrophobicContact CG2-CG2 4.4Å; I368-L427 HydrophobicContact CG2-CD1 3.85Å
369	K	97.4	Very high	95.5	Very high	67 Å²	67	46.7 Å²	46.7	29%	0.291	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-38.3	179.7	-71.1	173.9	64	166	0	112	N365 A366 Q373 E424 N426 L427	N365-K369 WeakPolarHBondContact O-CB 3.44Å; N365-K369 WeakPolarHBondContact O-CG 3.41Å; N365-K369 PolarHBondContact O-N 3.5Å; A366-K369 PolarHBondContact O-N 3.45Å; K369-Q373 WeakPolarHBondContact O-CA 3.1Å; K369-Q373 PolarHBondContact O-N 3.05Å; K369-E424 PolarHBondContact NZ-O 3.4Å; K369-N426 WeakPolarHBondContact CE-OD1 3.2Å; K369-N426 PolarHBondContact NZ-OD1 3.05Å; K369-L427 HydrophobicContact CG-CD1 4.11Å; K369-L427 HydrophobicContact CG-CD2 4.22Å; K369-L427 HydrophobicContact CG-CG 4.33Å
370	R	97.5	Very high	95.6	Very high	85 Å²	85	41.1 Å²	41.1	32%	0.321	22%	0.224	S	C	.	.	H	α-helix	trans	-67	-37.5	177.4	-171.9	172.4	80.8	177.1	15.8	113.3	D327 F330 A366 A367 I368 Q373	D327-R370 IonicContact OD1-CZ 2.85Å; D327-R370 IonicContact OD1-NH2 3.76Å; D327-R370 PolarHBondContact OD1-NH2 2.92Å; F330-R370 VanDerWaalsContact CD1-NH2 3.29Å; F330-R370 HydrophobicContact CD2-CB 4.18Å; F330-R370 HydrophobicContact CD2-CG 4.01Å; F330-R370 VanDerWaalsContact CD2-NE 3.34Å; F330-R370 HydrophobicContact CE2-CB 4.46Å; F330-R370 HydrophobicContact CE2-CG 3.97Å; A366-R370 VanDerWaalsContact O-CB 3.27Å; A366-R370 WeakPolarHBondContact O-CB 3.47Å; A366-R370 PolarHBondContact O-N 2.9Å; A367-R370 PolarHBondContact O-N 2.68Å; I368-R370 PolarHBondContact O-N 2.97Å; R370-Q373 WeakPolarHBondContact O-CG 3.3Å; R370-Q373 PolarHBondContact O-NE2 3.42Å
371	L	98	Very high	95.6	Very high	20 Å²	20	40.4 Å²	40.4	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-76.5	-42.2	-180	179.8	58.1	0	0	0	112.5	F330 M333 S334 L337 P344 A367 I368	F330-L371 HydrophobicContact CD2-CB 3.82Å; F330-L371 HydrophobicContact CD2-CD1 4.38Å; F330-L371 HydrophobicContact CE2-CB 3.92Å; F330-L371 HydrophobicContact CE2-CD1 3.94Å; F330-L371 HydrophobicContact CZ-CD1 4.4Å; M333-L371 HydrophobicContact CB-CD2 3.38Å; M333-L371 HydrophobicContact CE-CD2 4.2Å; M333-L371 HydrophobicContact CG-CD2 4.38Å; M333-L371 HydrophobicContact SD-CD2 4.2Å; S334-L371 WeakPolarHBondContact OG-CD1 3.41Å; L337-L371 HydrophobicContact CD1-CD1 4.45Å; L337-L371 HydrophobicContact CD1-CD2 4.01Å; L337-L371 HydrophobicContact CD1-CG 4.41Å; P344-L371 HydrophobicContact CG-CD1 4.2Å; A367-L371 WeakPolarHBondContact O-CB 3.37Å; A367-L371 PolarHBondContact O-N 3.36Å; I368-L371 PolarHBondContact O-N 3.47Å; I368-L371 VanDerWaalsContact O-N 3.11Å
372	F	97.1	Very high	95.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-89.5	-25.6	-172.5	-75.6	-98.5	0	0	0	113.4	P344 V347 I350 I368 H374 S375 T376 L379 L446	P344-F372 HydrophobicContact CB-CD1 4.21Å; P344-F372 HydrophobicContact CB-CE1 4.39Å; P344-F372 VanDerWaalsContact O-CD1 3.27Å; P344-F372 WeakPolarHBondContact O-CD1 3.44Å; P344-F372 WeakPolarHBondContact O-CE1 3.45Å; V347-F372 HydrophobicContact CB-CE1 3.76Å; V347-F372 HydrophobicContact CB-CZ 4.02Å; V347-F372 HydrophobicContact CG1-CE1 3.86Å; V347-F372 HydrophobicContact CG1-CZ 3.79Å; I350-F372 HydrophobicContact CD1-CD2 4.26Å; I350-F372 HydrophobicContact CD1-CE2 3.53Å; I350-F372 HydrophobicContact CD1-CZ 3.77Å; I350-F372 HydrophobicContact CG1-CZ 4.36Å; I368-F372 HydrophobicContact CG2-CD2 4.08Å; I368-F372 WeakPolarHBondContact O-CD2 3.19Å; I368-F372 PolarHBondContact O-N 2.95Å; F372-H374 PolarHBondContact O-N 3.14Å; F372-S375 PolarHBondContact O-N 3.3Å; F372-T376 HydrophobicContact CB-CG2 3.96Å; F372-L379 HydrophobicContact CB-CD2 4.25Å; F372-L379 HydrophobicContact CD1-CD1 4.23Å; F372-L379 HydrophobicContact CD1-CD2 3.9Å; F372-L379 HydrophobicContact CD2-CD2 4.07Å; F372-L379 HydrophobicContact CE1-CD1 3.9Å; F372-L379 HydrophobicContact CE1-CD2 4.24Å; F372-L379 HydrophobicContact CE2-CD2 4.44Å; F372-L379 HydrophobicContact CG-CD2 3.8Å; F372-L379 HydrophobicContact CZ-CD1 4.34Å; F372-L446 HydrophobicContact CE2-CD1 4.24Å; F372-L446 HydrophobicContact CZ-CD1 4Å
373	Q	93.1	Very high	95.7	Very high	120 Å²	120	39.3 Å²	39.3	56%	0.561	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	44.8	-105.7	174.8	-56	-176	-12.1	0	0	112.4	K369 R370 S375 T376	K369-Q373 WeakPolarHBondContact O-CA 3.1Å; K369-Q373 PolarHBondContact O-N 3.05Å; R370-Q373 WeakPolarHBondContact O-CG 3.3Å; R370-Q373 PolarHBondContact O-NE2 3.42Å; Q373-S375 VanDerWaalsContact C-N 3.27Å; Q373-S375 PolarHBondContact O-N 2.79Å; Q373-T376 WeakPolarHBondContact O-CG2 3.47Å; Q373-T376 PolarHBondContact O-OG1 3.22Å
374	H	88.9	Confident	95.7	Very high	173 Å²	173	39 Å²	39	80%	0.801	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-74.1	-9.6	-177	-58.1	-58.8	0	0	0	114.8	F372	F372-H374 PolarHBondContact O-N 3.14Å
375	S	88	Confident	95.8	Very high	26 Å²	26	38.9 Å²	38.9	18%	0.182	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-99.6	17.2	-179.4	-50.7	0	0	0	0	113.1	A345 F372 Q373 S378	A345-S375 WeakPolarHBondContact CA-OG 3.27Å; A345-S375 WeakPolarHBondContact CB-OG 3.33Å; F372-S375 PolarHBondContact O-N 3.3Å; Q373-S375 VanDerWaalsContact C-N 3.27Å; Q373-S375 PolarHBondContact O-N 2.79Å; S375-S378 PolarHBondContact O-OG 3.18Å
376	T	89.3	Confident	95.8	Very high	32 Å²	32	38.6 Å²	38.6	20%	0.196	20%	0.202	C	C	.	.			trans	-75.7	-25	-176.8	43.3	0	0	0	0	113.4	F372 Q373 S378 L379 L427	F372-T376 HydrophobicContact CB-CG2 3.96Å; Q373-T376 WeakPolarHBondContact O-CG2 3.47Å; Q373-T376 PolarHBondContact O-OG1 3.22Å; T376-S378 VanDerWaalsContact C-N 3.3Å; T376-S378 PolarHBondContact O-N 2.75Å; T376-L379 PolarHBondContact O-N 3.36Å; T376-L427 HydrophobicContact CG2-CD2 3.82Å
377	D	89.1	Confident	95.8	Very high	164 Å²	164	36.5 Å²	36.5	88%	0.877	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.5	-179.5	-67.2	-23.3	0	0	0	113.2
378	S	89.5	Confident	95.9	Very high	67 Å²	67	36.5 Å²	36.5	47%	0.469	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	4.3	177.8	57.3	0	0	0	0	113.5	S375 T376	S375-S378 PolarHBondContact O-OG 3.18Å; T376-S378 VanDerWaalsContact C-N 3.3Å; T376-S378 PolarHBondContact O-N 2.75Å
379	L	97.4	Very high	95.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.185	C	C	.	.			trans	-98.4	121.5	-176	-175.7	67	0	0	0	110.6	V347 I350 I368 F372 T376 V381	V347-L379 HydrophobicContact CG1-CD1 4.42Å; I350-L379 HydrophobicContact CD1-CD1 4.13Å; I350-L379 HydrophobicContact CD1-CD2 3.93Å; I350-L379 HydrophobicContact CG1-CD1 3.84Å; I350-L379 HydrophobicContact CG1-CD2 4.48Å; I368-L379 HydrophobicContact CG2-CD2 3.59Å; F372-L379 HydrophobicContact CB-CD2 4.25Å; F372-L379 HydrophobicContact CD1-CD1 4.23Å; F372-L379 HydrophobicContact CD1-CD2 3.9Å; F372-L379 HydrophobicContact CD2-CD2 4.07Å; F372-L379 HydrophobicContact CE1-CD1 3.9Å; F372-L379 HydrophobicContact CE1-CD2 4.24Å; F372-L379 HydrophobicContact CE2-CD2 4.44Å; F372-L379 HydrophobicContact CG-CD2 3.8Å; F372-L379 HydrophobicContact CZ-CD1 4.34Å; T376-L379 PolarHBondContact O-N 3.36Å; L379-V381 HydrophobicContact CD2-CG2 4.1Å; L379-V381 HydrophobicContact CG-CG2 4.15Å
380	A	98.6	Very high	95.9	Very high	6 Å²	6	33.4 Å²	33.4	5%	0.05	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	144	163.4	0	0	0	0	0	110.5	T348 Y349 I350 L412 N428 V430	T348-A380 PolarHBondContact O-N 2.82Å; Y349-A380 CarbonylContact C-O 2.84Å; Y349-A380 VanDerWaalsContact CA-O 3.25Å; Y349-A380 WeakPolarHBondContact CA-O 3.42Å; Y349-A380 HydrophobicContact CD2-CB 4.18Å; Y349-A380 WeakPolarHBondContact CD2-O 3.48Å; I350-A380 PolarHBondContact N-O 3.14Å; A380-L412 HydrophobicContact CB-CD1 3.31Å; A380-N428 CarbonylContact C-O 3.57Å; A380-N428 WeakPolarHBondContact CA-O 3.18Å; A380-V430 HydrophobicContact CB-CG2 3.99Å
381	V	98.9	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.5	174.7	-176.9	0	0	0	0	107.1	F272 I350 A352 I368 L379 L427 N428 Y429 V430	F272-V381 HydrophobicContact CZ-CG1 4.12Å; I350-V381 HydrophobicContact CB-CG1 4.38Å; I350-V381 HydrophobicContact CB-CG2 4.27Å; I350-V381 CarbonylContact O-C 3.58Å; I350-V381 WeakPolarHBondContact O-CA 3.32Å; A352-V381 HydrophobicContact CB-CG1 3.79Å; I368-V381 HydrophobicContact CD1-CG1 4.17Å; I368-V381 HydrophobicContact CD1-CG2 4.43Å; I368-V381 HydrophobicContact CG2-CG2 4.4Å; L379-V381 HydrophobicContact CD2-CG2 4.1Å; L379-V381 HydrophobicContact CG-CG2 4.15Å; V381-L427 HydrophobicContact CG2-CD1 3.93Å; V381-N428 PolarHBondContact N-O 2.94Å; V381-Y429 HydrophobicContact CB-CD1 4.1Å; V381-Y429 HydrophobicContact CB-CE1 4.49Å; V381-Y429 HydrophobicContact CG1-CD1 4.32Å; V381-Y429 CarbonylContact O-C 3.3Å; V381-Y429 WeakPolarHBondContact O-CA 3.47Å; V381-Y429 VanDerWaalsContact O-O 3.1Å; V381-V430 PolarHBondContact O-N 3.17Å
382	S	98.9	Very high	96	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.8	167.1	87.5	0	0	0	0	110.9	Y349 I350 A352 P413 T415	Y349-S382 PolarHBondContact OH-OG 2.81Å; I350-S382 PolarHBondContact O-N 2.72Å; A352-S382 WeakPolarHBondContact CB-O 3.27Å; A352-S382 PolarHBondContact N-O 3Å; S382-P413 VanDerWaalsContact CB-O 3.27Å; S382-P413 WeakPolarHBondContact CB-O 3.49Å; S382-P413 PolarHBondContact OG-O 3.24Å; S382-T415 VanDerWaalsContact CA-OG1 3.24Å; S382-T415 WeakPolarHBondContact CA-OG1 3.42Å; S382-T415 WeakPolarHBondContact CB-OG1 3.37Å
383	S	98.9	Very high	96.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.			trans	-122.2	121.7	164	172.8	0	0	0	0	110	P271 A354 K385 T415	P271-S383 WeakPolarHBondContact CG-OG 3.4Å; A354-S383 WeakPolarHBondContact O-CB 3.42Å; A354-S383 PolarHBondContact O-OG 3.07Å; S383-K385 PolarHBondContact O-N 2.96Å; S383-K385 PolarHBondContact OG-N 3.25Å; S383-T415 PolarHBondContact N-OG1 2.68Å
384	T	98.9	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.4	179.1	56.9	0	0	0	0	113	L69 G386 A387 T388 F402 P413	L69-T384 HydrophobicContact CD1-CG2 4Å; L69-T384 HydrophobicContact CD2-CG2 4.14Å; T384-G386 PolarHBondContact O-N 2.79Å; T384-A387 WeakPolarHBondContact O-CB 3.04Å; T384-A387 PolarHBondContact O-N 2.89Å; T384-T388 PolarHBondContact O-N 3.34Å; T384-T388 PolarHBondContact O-OG1 2.63Å; T384-F402 HydrophobicContact CG2-CD2 3.88Å; T384-F402 HydrophobicContact CG2-CE2 4.48Å; T384-P413 HydrophobicContact CG2-CB 3.84Å; T384-P413 HydrophobicContact CG2-CG 3.64Å
385	K	98.9	Very high	96.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.1	-13.1	-176.7	-62.3	-178.2	-177.9	65.1	0	113.4	S269 A352 H353 T355 S383 A387 G389 H390 E399	S269-K385 WeakPolarHBondContact CB-O 3.4Å; S269-K385 VanDerWaalsContact OG-C 3.25Å; S269-K385 PolarHBondContact OG-O 3.48Å; A352-K385 PolarHBondContact O-NZ 2.85Å; H353-K385 WeakPolarHBondContact O-CD 3.45Å; H353-K385 WeakPolarHBondContact O-CE 3.48Å; H353-K385 PolarHBondContact O-NZ 3.23Å; T355-K385 HydrophobicContact CG2-CD 3.81Å; S383-K385 PolarHBondContact O-N 2.96Å; S383-K385 PolarHBondContact OG-N 3.25Å; K385-A387 VanDerWaalsContact C-N 3.29Å; K385-G389 WeakPolarHBondContact O-CA 3.39Å; K385-G389 PolarHBondContact O-N 3.37Å; K385-H390 HydrophobicContact CD-CB 4.37Å; K385-E399 WeakPolarHBondContact CE-OE1 3.23Å; K385-E399 IonicContact NZ-OE1 2.67Å; K385-E399 PolarHBondContact NZ-OE1 2.9Å; K385-E399 IonicContact NZ-OE2 3.5Å; K385-E399 PolarHBondContact NZ-OE2 2.73Å
386	G	98.6	Very high	97.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.9	-32.5	166	0	0	0	0	0	112.8	S74 I76 S269 T384	S74-G386 PolarHBondContact OG-O 3.44Å; I76-G386 WeakPolarHBondContact CD1-O 3.43Å; S269-G386 PolarHBondContact OG-N 2.61Å; T384-G386 PolarHBondContact O-N 2.79Å
387	A	98.8	Very high	97.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-86.6	-40.1	-179.9	0	0	0	0	0	112.1	L58 L69 Q73 S74 G75 T384 K385 L416	L58-A387 HydrophobicContact CD1-CB 4.14Å; L58-A387 HydrophobicContact CD2-CB 4.39Å; L69-A387 HydrophobicContact CD1-CB 3.69Å; Q73-A387 VanDerWaalsContact O-CB 3.27Å; Q73-A387 WeakPolarHBondContact O-CB 3.37Å; S74-A387 WeakPolarHBondContact CA-O 3.25Å; G75-A387 PolarHBondContact N-O 2.98Å; T384-A387 WeakPolarHBondContact O-CB 3.04Å; T384-A387 PolarHBondContact O-N 2.89Å; K385-A387 VanDerWaalsContact C-N 3.29Å; A387-L416 HydrophobicContact CB-CD1 3.85Å
388	T	98.8	Very high	98.3	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-108.1	-7.2	-170	57.5	0	0	0	0	114.1	P57 L58 A93 T384 L391 L398 F402	P57-T388 WeakPolarHBondContact CG-O 3.43Å; L58-T388 HydrophobicContact CD1-CG2 3.81Å; L58-T388 HydrophobicContact CG-CG2 4Å; A93-T388 WeakPolarHBondContact CB-O 3.24Å; T384-T388 PolarHBondContact O-N 3.34Å; T384-T388 PolarHBondContact O-OG1 2.63Å; T388-L391 WeakPolarHBondContact O-CD1 3.43Å; T388-L398 HydrophobicContact CG2-CD2 3.91Å; T388-F402 HydrophobicContact CG2-CE2 3.91Å; T388-F402 HydrophobicContact CG2-CZ 4.05Å
389	G	98.7	Very high	98.7	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.006	C	C	.	.			trans	62.6	-169.9	-159.8	0	0	0	0	0	111.6	V280 K385	V280-G389 CarbonylContact O-C 3.6Å; V280-G389 WeakPolarHBondContact O-CA 3.38Å; K385-G389 WeakPolarHBondContact O-CA 3.39Å; K385-G389 PolarHBondContact O-N 3.37Å
390	H	98.8	Very high	98.8	Very high	3 Å²	3	1 Å²	1	1%	0.014	1%	0.007	C	C	.	.	B	Isolated β-bridge	trans	-101.6	103.5	178.8	-174.8	28.3	0	0	0	110.9	C212 F279 V280 G282 H353 K385 L392	C212-H390 PolarHBondContact SG-NE2 2.82Å; F279-H390 HydrophobicContact CB-CB 4.22Å; F279-H390 HydrophobicContact CD2-CB 3.79Å; F279-H390 AromaticContact CD2-CD2 3.95Å; F279-H390 HydrophobicContact CE2-CB 4.46Å; F279-H390 HydrophobicContact CG-CB 4.21Å; V280-H390 PolarHBondContact O-N 3.39Å; G282-H390 PolarHBondContact N-O 2.83Å; H353-H390 AromaticContact CE1-CE1 3.91Å; K385-H390 HydrophobicContact CD-CB 4.37Å; H390-L392 PolarHBondContact O-N 2.88Å; H390-L392 VanDerWaalsContact O-N 3.07Å
391	L	98.6	Very high	98.8	Very high	1 Å²	1	0.8 Å²	0.8	1%	0.005	0%	0.004	C	C	.	.			trans	-77.8	17.5	-177.5	-80.3	73.2	0	0	0	114.3	C56 P57 E240 T388 G393 A394 A395 L398	C56-L391 HydrophobicContact CB-CD2 4.25Å; P57-L391 HydrophobicContact CG-CD1 4.4Å; E240-L391 VanDerWaalsContact CB-O 3.27Å; E240-L391 WeakPolarHBondContact CB-O 3.29Å; T388-L391 WeakPolarHBondContact O-CD1 3.43Å; L391-G393 PolarHBondContact O-N 3.11Å; L391-A394 HydrophobicContact CB-CB 4.02Å; L391-A394 HydrophobicContact CD2-CB 4.24Å; L391-A394 PolarHBondContact O-N 2.86Å; L391-A395 HydrophobicContact CB-CB 4.42Å; L391-L398 HydrophobicContact CD1-CD2 4.06Å; L391-L398 HydrophobicContact CD2-CD2 3.62Å; L391-L398 HydrophobicContact CG-CD2 4.44Å
392	L	98.5	Very high	98.8	Very high	5 Å²	5	0.8 Å²	0.8	3%	0.026	0%	0.004	C	C	.	.	G	3₁₀ helix	trans	47.1	-110.7	177.1	-53.5	166.1	0	0	0	111.7	M157 C212 E240 C242 F251 F279 M281 H390 A394 A395	M157-L392 HydrophobicContact CE-CD1 3.56Å; C212-L392 WeakPolarHBondContact CA-O 3.29Å; E240-L392 HydrophobicContact CG-CB 3.95Å; E240-L392 HydrophobicContact CG-CD1 3.99Å; C242-L392 WeakPolarHBondContact SG-CD1 3.43Å; F251-L392 HydrophobicContact CE1-CD2 4.4Å; F251-L392 HydrophobicContact CZ-CD2 4.18Å; F279-L392 HydrophobicContact CE2-CD2 4.22Å; F279-L392 HydrophobicContact CZ-CD2 4.09Å; M281-L392 HydrophobicContact CE-CD1 4.26Å; M281-L392 HydrophobicContact CG-CD1 4.03Å; M281-L392 HydrophobicContact SD-CD1 4.17Å; H390-L392 PolarHBondContact O-N 2.88Å; H390-L392 VanDerWaalsContact O-N 3.07Å; L392-A394 PolarHBondContact O-N 3.35Å; L392-A395 VanDerWaalsContact O-CB 3.29Å; L392-A395 WeakPolarHBondContact O-CB 3.32Å; L392-A395 PolarHBondContact O-N 3.17Å; L392-A395 VanDerWaalsContact O-N 3.12Å
393	G	98.6	Very high	98.8	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	G	3₁₀ helix	trans	-59.4	-27.9	-179.8	0	0	0	0	0	115.2	T214 G215 E240 L391	T214-G393 WeakPolarHBondContact CB-O 3.36Å; G215-G393 PolarHBondContact N-O 3.42Å; E240-G393 PolarHBondContact OE2-N 3.4Å; L391-G393 PolarHBondContact O-N 3.11Å
394	A	98.8	Very high	98.8	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	G	3₁₀ helix	trans	-91.7	-8.7	178.1	0	0	0	0	0	114.3	G238 E240 G284 L391 L392 G396 A397 L398	G238-A394 WeakPolarHBondContact O-CB 3.26Å; E240-A394 HydrophobicContact CB-CB 4.5Å; G284-A394 WeakPolarHBondContact O-CB 3.44Å; L391-A394 HydrophobicContact CB-CB 4.02Å; L391-A394 HydrophobicContact CD2-CB 4.24Å; L391-A394 PolarHBondContact O-N 2.86Å; L392-A394 PolarHBondContact O-N 3.35Å; A394-G396 PolarHBondContact O-N 2.97Å; A394-A397 PolarHBondContact O-N 3.35Å; A394-L398 PolarHBondContact O-N 3.21Å
395	A	98.8	Very high	98.8	Very high	1 Å²	1	0.9 Å²	0.9	1%	0.008	1%	0.005	C	C	.	.	H	α-helix	trans	-57.5	-54.3	-173.8	0	0	0	0	0	112.3	L391 L392 A397 L398 E399	L391-A395 HydrophobicContact CB-CB 4.42Å; L392-A395 VanDerWaalsContact O-CB 3.29Å; L392-A395 WeakPolarHBondContact O-CB 3.32Å; L392-A395 PolarHBondContact O-N 3.17Å; L392-A395 VanDerWaalsContact O-N 3.12Å; A395-A397 VanDerWaalsContact C-N 3.27Å; A395-A397 PolarHBondContact O-N 3.18Å; A395-L398 PolarHBondContact O-N 2.5Å; A395-L398 VanDerWaalsContact O-N 3.16Å; A395-E399 WeakPolarHBondContact O-CB 3.19Å; A395-E399 VanDerWaalsContact O-CG 3.3Å; A395-E399 WeakPolarHBondContact O-CG 3.21Å; A395-E399 PolarHBondContact O-N 3.11Å
396	G	98.8	Very high	98.8	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	1%	0.005	C	C	.	.	H	α-helix	trans	-60.5	-33.6	-179.7	0	0	0	0	0	114.2	S216 A394 A400 S449	S216-G396 WeakPolarHBondContact OG-CA 3.23Å; A394-G396 PolarHBondContact O-N 2.97Å; G396-A400 VanDerWaalsContact O-CB 3.26Å; G396-A400 WeakPolarHBondContact O-CB 3.33Å; G396-A400 PolarHBondContact O-N 3.24Å; G396-S449 VanDerWaalsContact CA-OG 3.29Å; G396-S449 WeakPolarHBondContact CA-OG 3.3Å
397	A	98.9	Very high	98.8	Very high	1 Å²	1	0.9 Å²	0.9	1%	0.008	1%	0.005	C	C	.	.	H	α-helix	trans	-72.8	-40.6	176.9	0	0	0	0	0	112.2	I219 G238 A286 A394 A395 A400 A401	I219-A397 HydrophobicContact CD1-CB 4.05Å; G238-A397 VanDerWaalsContact N-CB 3.32Å; A286-A397 HydrophobicContact CB-CB 3.98Å; A286-A397 WeakPolarHBondContact O-CB 3.42Å; A394-A397 PolarHBondContact O-N 3.35Å; A395-A397 VanDerWaalsContact C-N 3.27Å; A395-A397 PolarHBondContact O-N 3.18Å; A397-A400 PolarHBondContact O-N 3.49Å; A397-A401 PolarHBondContact O-N 3.36Å
398	L	98.9	Very high	98.8	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	2%	0.024	C	C	.	.	H	α-helix	trans	-65.5	-41.8	176	-176.9	61.3	0	0	0	111	L54 C56 A286 T388 L391 A394 A395 A401 F402	L54-L398 HydrophobicContact CD1-CD1 4.17Å; L54-L398 HydrophobicContact CD2-CD1 3.71Å; L54-L398 HydrophobicContact CG-CD1 4.41Å; C56-L398 HydrophobicContact CB-CD1 4.36Å; C56-L398 HydrophobicContact CB-CD2 3.98Å; A286-L398 VanDerWaalsContact CB-CA 3.43Å; A286-L398 HydrophobicContact CB-CB 3.79Å; A286-L398 HydrophobicContact CB-CD1 4.09Å; A286-L398 VanDerWaalsContact CB-N 3.34Å; T388-L398 HydrophobicContact CG2-CD2 3.91Å; L391-L398 HydrophobicContact CD1-CD2 4.06Å; L391-L398 HydrophobicContact CD2-CD2 3.62Å; L391-L398 HydrophobicContact CG-CD2 4.44Å; A394-L398 PolarHBondContact O-N 3.21Å; A395-L398 PolarHBondContact O-N 2.5Å; A395-L398 VanDerWaalsContact O-N 3.16Å; L398-A401 WeakPolarHBondContact O-CB 3.26Å; L398-A401 PolarHBondContact O-N 2.77Å; L398-F402 HydrophobicContact CD1-CD1 4.43Å; L398-F402 HydrophobicContact CD1-CE1 3.72Å; L398-F402 HydrophobicContact CD1-CE2 3.96Å; L398-F402 HydrophobicContact CD1-CZ 3.46Å; L398-F402 VanDerWaalsContact CD1-CZ 3.46Å; L398-F402 HydrophobicContact CD2-CE2 3.98Å; L398-F402 HydrophobicContact CD2-CZ 4.02Å; L398-F402 HydrophobicContact CG-CD2 4.19Å; L398-F402 HydrophobicContact CG-CE1 4.28Å; L398-F402 HydrophobicContact CG-CE2 3.6Å; L398-F402 HydrophobicContact CG-CZ 3.65Å; L398-F402 WeakPolarHBondContact O-CG 3.46Å; L398-F402 PolarHBondContact O-N 3.37Å
399	E	98.9	Very high	98.8	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.009	4%	0.044	C	C	.	.	H	α-helix	trans	-68.4	-37.1	178.4	-72.5	150.9	-151.3	0	0	112	N351 K385 A395 F402 T403	N351-E399 PolarHBondContact ND2-O 3.48Å; K385-E399 WeakPolarHBondContact CE-OE1 3.23Å; K385-E399 IonicContact NZ-OE1 2.67Å; K385-E399 PolarHBondContact NZ-OE1 2.9Å; K385-E399 IonicContact NZ-OE2 3.5Å; K385-E399 PolarHBondContact NZ-OE2 2.73Å; A395-E399 WeakPolarHBondContact O-CB 3.19Å; A395-E399 VanDerWaalsContact O-CG 3.3Å; A395-E399 WeakPolarHBondContact O-CG 3.21Å; A395-E399 PolarHBondContact O-N 3.11Å; E399-F402 PolarHBondContact O-N 3.22Å; E399-T403 WeakPolarHBondContact O-CB 3.42Å; E399-T403 PolarHBondContact O-N 3.16Å; E399-T403 PolarHBondContact O-OG1 3.31Å
400	A	98.9	Very high	98.8	Very high	2 Å²	2	10.5 Å²	10.5	2%	0.017	5%	0.05	C	C	.	.	H	α-helix	trans	-63.8	-42.2	170.7	0	0	0	0	0	112.1	I219 G396 A397 T403 A404 T447 L459	I219-A400 HydrophobicContact CD1-CB 3.6Å; G396-A400 VanDerWaalsContact O-CB 3.26Å; G396-A400 WeakPolarHBondContact O-CB 3.33Å; G396-A400 PolarHBondContact O-N 3.24Å; A397-A400 PolarHBondContact O-N 3.49Å; A400-T403 PolarHBondContact O-N 2.86Å; A400-A404 WeakPolarHBondContact O-CB 3.26Å; A400-A404 PolarHBondContact O-N 3.34Å; A400-T447 HydrophobicContact CB-CG2 4.16Å; A400-L459 HydrophobicContact CB-CD1 4.13Å
401	A	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.5	-44.1	174.4	0	0	0	0	0	112.1	I52 L54 V288 A397 L398 T403 A404 L405	I52-A401 HydrophobicContact CG2-CB 3.77Å; L54-A401 HydrophobicContact CD2-CB 3.84Å; V288-A401 HydrophobicContact CG1-CB 4.23Å; A397-A401 PolarHBondContact O-N 3.36Å; L398-A401 WeakPolarHBondContact O-CB 3.26Å; L398-A401 PolarHBondContact O-N 2.77Å; A401-T403 VanDerWaalsContact C-N 3.31Å; A401-T403 PolarHBondContact O-N 3.07Å; A401-A404 PolarHBondContact O-N 3.13Å; A401-L405 WeakPolarHBondContact O-CG 3.19Å; A401-L405 PolarHBondContact O-N 2.86Å
402	F	98.9	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.4	-36.6	174.1	-66.2	-22.2	0	0	0	112.8	L54 V65 W66 L69 T384 T388 L398 E399 L405 A406	L54-F402 HydrophobicContact CD1-CD1 4.46Å; L54-F402 HydrophobicContact CD1-CE1 3.88Å; V65-F402 HydrophobicContact CG1-CE1 3.7Å; V65-F402 HydrophobicContact CG1-CZ 3.94Å; W66-F402 HydrophobicContact CE3-CD1 4.48Å; L69-F402 HydrophobicContact CD1-CE2 4.48Å; L69-F402 HydrophobicContact CD2-CB 4.22Å; L69-F402 HydrophobicContact CD2-CD1 3.72Å; L69-F402 HydrophobicContact CD2-CD2 3.68Å; L69-F402 HydrophobicContact CD2-CE1 3.89Å; L69-F402 HydrophobicContact CD2-CE2 3.83Å; L69-F402 HydrophobicContact CD2-CG 3.61Å; L69-F402 HydrophobicContact CD2-CZ 3.94Å; T384-F402 HydrophobicContact CG2-CD2 3.88Å; T384-F402 HydrophobicContact CG2-CE2 4.48Å; T388-F402 HydrophobicContact CG2-CE2 3.91Å; T388-F402 HydrophobicContact CG2-CZ 4.05Å; L398-F402 HydrophobicContact CD1-CD1 4.43Å; L398-F402 HydrophobicContact CD1-CE1 3.72Å; L398-F402 HydrophobicContact CD1-CE2 3.96Å; L398-F402 HydrophobicContact CD1-CZ 3.46Å; L398-F402 VanDerWaalsContact CD1-CZ 3.46Å; L398-F402 HydrophobicContact CD2-CE2 3.98Å; L398-F402 HydrophobicContact CD2-CZ 4.02Å; L398-F402 HydrophobicContact CG-CD2 4.19Å; L398-F402 HydrophobicContact CG-CE1 4.28Å; L398-F402 HydrophobicContact CG-CE2 3.6Å; L398-F402 HydrophobicContact CG-CZ 3.65Å; L398-F402 WeakPolarHBondContact O-CG 3.46Å; L398-F402 PolarHBondContact O-N 3.37Å; E399-F402 PolarHBondContact O-N 3.22Å; F402-L405 HydrophobicContact CD1-CD1 4.44Å; F402-L405 PolarHBondContact O-N 2.93Å; F402-A406 WeakPolarHBondContact O-CB 3.27Å; F402-A406 PolarHBondContact O-N 3.14Å
403	T	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.6	-40.7	176.8	-56	0	0	0	0	111.1	N351 E399 A400 A401 A406 C407 A445 L461	N351-T403 VanDerWaalsContact CB-OG1 3.23Å; N351-T403 WeakPolarHBondContact CB-OG1 3.44Å; N351-T403 PolarHBondContact ND2-OG1 3.09Å; E399-T403 WeakPolarHBondContact O-CB 3.42Å; E399-T403 PolarHBondContact O-N 3.16Å; E399-T403 PolarHBondContact O-OG1 3.31Å; A400-T403 PolarHBondContact O-N 2.86Å; A401-T403 VanDerWaalsContact C-N 3.31Å; A401-T403 PolarHBondContact O-N 3.07Å; T403-A406 PolarHBondContact O-N 2.98Å; T403-C407 PolarHBondContact O-N 2.89Å; T403-C407 PolarHBondContact O-SG 3.42Å; T403-C407 VanDerWaalsContact O-SG 3.41Å; T403-A445 HydrophobicContact CG2-CB 3.43Å; T403-A445 VanDerWaalsContact CG2-CB 3.43Å; T403-L461 HydrophobicContact CG2-CB 4.36Å; T403-L461 HydrophobicContact CG2-CD1 3.95Å; T403-L461 HydrophobicContact CG2-CG 4.46Å
404	A	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62	-42.3	172.6	0	0	0	0	0	111.9	I49 I52 A305 A400 A401 C407 Y408 L461	I49-A404 HydrophobicContact CD1-CB 3.75Å; I52-A404 HydrophobicContact CD1-CB 4.25Å; A305-A404 HydrophobicContact CB-CB 3.89Å; A400-A404 WeakPolarHBondContact O-CB 3.26Å; A400-A404 PolarHBondContact O-N 3.34Å; A401-A404 PolarHBondContact O-N 3.13Å; A404-C407 WeakPolarHBondContact O-CB 3.44Å; A404-C407 PolarHBondContact O-N 3.01Å; A404-Y408 WeakPolarHBondContact O-CB 3.43Å; A404-Y408 PolarHBondContact O-N 3.48Å; A404-L461 HydrophobicContact CB-CD1 4.37Å
405	L	98.9	Very high	98.8	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-65.9	-37.3	174.6	-71.7	165.8	0	0	0	112.4	I52 T62 W66 Y304 A401 F402 Y408 H409	I52-L405 HydrophobicContact CD1-CD2 4.12Å; I52-L405 HydrophobicContact CD1-CG 3.93Å; T62-L405 HydrophobicContact CG2-CD1 3.97Å; T62-L405 HydrophobicContact CG2-CD2 4.19Å; W66-L405 HydrophobicContact CB-CD1 4.16Å; W66-L405 HydrophobicContact CD2-CB 3.88Å; W66-L405 HydrophobicContact CD2-CD1 4.1Å; W66-L405 HydrophobicContact CD2-CG 4.49Å; W66-L405 HydrophobicContact CE3-CB 3.56Å; W66-L405 HydrophobicContact CE3-CD1 3.74Å; W66-L405 HydrophobicContact CE3-CG 4.28Å; W66-L405 HydrophobicContact CG-CD1 4.3Å; W66-L405 HydrophobicContact CH2-CB 3.95Å; W66-L405 HydrophobicContact CZ2-CB 4.24Å; W66-L405 HydrophobicContact CZ3-CB 3.6Å; W66-L405 HydrophobicContact CZ3-CD1 4.48Å; Y304-L405 HydrophobicContact CD1-CD2 4.19Å; Y304-L405 HydrophobicContact CE1-CD2 4.01Å; A401-L405 WeakPolarHBondContact O-CG 3.19Å; A401-L405 PolarHBondContact O-N 2.86Å; F402-L405 HydrophobicContact CD1-CD1 4.44Å; F402-L405 PolarHBondContact O-N 2.93Å; L405-Y408 PolarHBondContact O-N 3.44Å; L405-H409 WeakPolarHBondContact O-CB 3.25Å; L405-H409 PolarHBondContact O-CD2 2.97Å; L405-H409 PolarHBondContact O-N 3.06Å
406	A	98.9	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.2	-43.6	173.2	0	0	0	0	0	111.3	W66 Y349 F402 T403 Y408 G410 V411 W437	W66-A406 HydrophobicContact CH2-CB 4.07Å; Y349-A406 HydrophobicContact CE1-CB 4.3Å; F402-A406 WeakPolarHBondContact O-CB 3.27Å; F402-A406 PolarHBondContact O-N 3.14Å; T403-A406 PolarHBondContact O-N 2.98Å; A406-Y408 VanDerWaalsContact C-N 3.32Å; A406-Y408 PolarHBondContact O-N 3.19Å; A406-G410 WeakPolarHBondContact O-CA 3.38Å; A406-G410 PolarHBondContact O-N 3.23Å; A406-V411 WeakPolarHBondContact CA-O 3.23Å; A406-V411 VanDerWaalsContact CB-O 3.26Å; A406-V411 WeakPolarHBondContact CB-O 3.4Å; A406-W437 HydrophobicContact CB-CE3 4.16Å; A406-W437 HydrophobicContact CB-CZ3 4.08Å
407	C	98.8	Very high	98.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60	-41.3	171.9	-74.4	0	0	0	0	111.7	A305 T403 A404 R443	A305-C407 HydrophobicContact CB-CB 4.3Å; T403-C407 PolarHBondContact O-N 2.89Å; T403-C407 PolarHBondContact O-SG 3.42Å; T403-C407 VanDerWaalsContact O-SG 3.41Å; A404-C407 WeakPolarHBondContact O-CB 3.44Å; A404-C407 PolarHBondContact O-N 3.01Å; C407-R443 PolarHBondContact O-NE 3.44Å; C407-R443 PolarHBondContact O-NH2 3Å
408	Y	98.6	Very high	98.8	Very high	99 Å²	99	14.7 Å²	14.7	39%	0.388	7%	0.073	S	C	.	.	H	α-helix	trans	-71.6	-50.1	-178.3	-173.7	-106.3	0	0	0	112.6	R302 Y304 A404 L405 A406	R302-Y408 HydrophobicContact CG-CE2 4.43Å; Y304-Y408 AromaticContact CD1-CD1 4Å; Y304-Y408 HydrophobicContact CD1-CD1 4Å; Y304-Y408 HydrophobicContact CD1-CD2 4.03Å; Y304-Y408 HydrophobicContact CD1-CE1 4.47Å; Y304-Y408 HydrophobicContact CD1-CE2 4.49Å; Y304-Y408 AromaticContact CD1-CG 3.76Å; Y304-Y408 HydrophobicContact CD1-CG 3.76Å; Y304-Y408 HydrophobicContact CE1-CD1 4.24Å; Y304-Y408 HydrophobicContact CE1-CE1 4.41Å; Y304-Y408 HydrophobicContact CE1-CG 4.44Å; A404-Y408 WeakPolarHBondContact O-CB 3.43Å; A404-Y408 PolarHBondContact O-N 3.48Å; L405-Y408 PolarHBondContact O-N 3.44Å; A406-Y408 VanDerWaalsContact C-N 3.32Å; A406-Y408 PolarHBondContact O-N 3.19Å
409	H	98.4	Very high	98.7	Very high	90 Å²	90	20.2 Å²	20.2	42%	0.417	10%	0.103	S	C	.	.	H	α-helix	trans	-85	-16.7	-175.3	-69.8	-64.6	0	0	0	114.3	W66 L405 V411	W66-H409 AromaticContact CD1-CD2 3.78Å; W66-H409 AromaticContact CD1-NE2 3.87Å; W66-H409 AromaticContact CE2-CD2 3.59Å; W66-H409 HydrophobicContact CZ2-CB 4.1Å; W66-H409 AromaticContact CZ2-CD2 3.99Å; W66-H409 AromaticContact NE1-CD2 3.2Å; W66-H409 PolarHBondContact NE1-CD2 2.83Å; W66-H409 AromaticContact NE1-CG 3.71Å; W66-H409 AromaticContact NE1-NE2 3.75Å; L405-H409 WeakPolarHBondContact O-CB 3.25Å; L405-H409 PolarHBondContact O-CD2 2.97Å; L405-H409 PolarHBondContact O-N 3.06Å; H409-V411 HydrophobicContact CB-CG2 4.47Å
410	G	98.3	Very high	98.7	Very high	13 Å²	13	25.3 Å²	25.3	13%	0.134	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	40.1	-174	0	0	0	0	0	112.5	A406 W437	A406-G410 WeakPolarHBondContact O-CA 3.38Å; A406-G410 PolarHBondContact O-N 3.23Å; G410-W437 PolarHBondContact O-N 3.22Å
411	V	98.8	Very high	98.7	Very high	39 Å²	39	28.2 Å²	28.2	24%	0.236	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.4	178.6	-176.9	0	0	0	0	109.4	W66 I70 A406 H409 A434	W66-V411 HydrophobicContact CZ2-CB 4.36Å; I70-V411 HydrophobicContact CD1-CG1 3.87Å; I70-V411 HydrophobicContact CG1-CG1 4.44Å; I70-V411 HydrophobicContact CG2-CG1 4.18Å; A406-V411 WeakPolarHBondContact CA-O 3.23Å; A406-V411 VanDerWaalsContact CB-O 3.26Å; A406-V411 WeakPolarHBondContact CB-O 3.4Å; H409-V411 HydrophobicContact CB-CG2 4.47Å; V411-A434 HydrophobicContact CG1-CB 4.1Å
412	L	98.9	Very high	98.6	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.4	177.6	-55.6	-176.4	0	0	0	110.4	Y349 A380 V430 A434 Q435 W437	Y349-L412 HydrophobicContact CD1-CD2 3.93Å; Y349-L412 HydrophobicContact CD2-CD1 4.25Å; Y349-L412 HydrophobicContact CD2-CD2 3.56Å; Y349-L412 HydrophobicContact CD2-CG 4.4Å; Y349-L412 HydrophobicContact CE1-CD2 4.36Å; Y349-L412 HydrophobicContact CE2-CD2 4.02Å; Y349-L412 HydrophobicContact CG-CD2 3.53Å; A380-L412 HydrophobicContact CB-CD1 3.31Å; L412-V430 HydrophobicContact CB-CG1 4.18Å; L412-V430 HydrophobicContact CB-CG2 4.16Å; L412-V430 HydrophobicContact CD1-CG2 4.04Å; L412-A434 VanDerWaalsContact O-CA 3.23Å; L412-A434 WeakPolarHBondContact O-CA 3.39Å; L412-A434 VanDerWaalsContact O-CB 3.32Å; L412-A434 WeakPolarHBondContact O-CB 3.42Å; L412-Q435 HydrophobicContact CB-CB 4.4Å; L412-Q435 PolarHBondContact N-O 3.31Å; L412-Q435 PolarHBondContact O-N 3.22Å; L412-Q435 VanDerWaalsContact O-N 3.12Å; L412-W437 HydrophobicContact CD1-CG 4.46Å; L412-W437 HydrophobicContact CD2-CB 3.73Å; L412-W437 HydrophobicContact CD2-CD2 3.37Å; L412-W437 HydrophobicContact CD2-CE3 3.45Å; L412-W437 VanDerWaalsContact CD2-CE3 3.45Å; L412-W437 HydrophobicContact CD2-CG 3.49Å; L412-W437 VanDerWaalsContact CD2-CG 3.49Å; L412-W437 HydrophobicContact CD2-CZ3 4.27Å; L412-W437 HydrophobicContact CG-CB 3.82Å; L412-W437 HydrophobicContact CG-CD2 4.37Å; L412-W437 HydrophobicContact CG-CG 4Å
413	P	98.9	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-70	150.6	174.9	31.1	-34.9	0	0	0	111.3	L69 I70 Y349 S382 T384 V430	L69-P413 HydrophobicContact CD1-CB 4.25Å; L69-P413 HydrophobicContact CD2-CB 3.73Å; L69-P413 HydrophobicContact CD2-CG 4.42Å; L69-P413 HydrophobicContact CG-CB 3.83Å; I70-P413 HydrophobicContact CD1-CB 4.06Å; Y349-P413 WeakPolarHBondContact OH-CD 3.32Å; Y349-P413 WeakPolarHBondContact OH-CG 3.46Å; S382-P413 VanDerWaalsContact CB-O 3.27Å; S382-P413 WeakPolarHBondContact CB-O 3.49Å; S382-P413 PolarHBondContact OG-O 3.24Å; T384-P413 HydrophobicContact CG2-CB 3.84Å; T384-P413 HydrophobicContact CG2-CG 3.64Å; P413-V430 WeakPolarHBondContact O-CG1 3.49Å
414	P	98.8	Very high	98.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-77.8	149.7	-178	30.5	-33.4	0	0	0	112.9	L416 V430	P414-L416 HydrophobicContact CB-CD2 4.14Å; P414-L416 HydrophobicContact CG-CD2 3.78Å; P414-L416 PolarHBondContact O-N 3.25Å; P414-V430 CarbonylContact C-O 3.58Å; P414-V430 WeakPolarHBondContact CA-O 3.3Å
415	T	98.9	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-81	106.9	154.6	-53.8	0	0	0	0	108.4	P271 F272 S382 S383 L418 Y429 V430 C432	P271-T415 HydrophobicContact CB-CG2 4Å; P271-T415 HydrophobicContact CG-CG2 4.31Å; F272-T415 HydrophobicContact CD2-CG2 4.07Å; F272-T415 HydrophobicContact CE2-CG2 4.4Å; S382-T415 VanDerWaalsContact CA-OG1 3.24Å; S382-T415 WeakPolarHBondContact CA-OG1 3.42Å; S382-T415 WeakPolarHBondContact CB-OG1 3.37Å; S383-T415 PolarHBondContact N-OG1 2.68Å; T415-L418 HydrophobicContact CG2-CB 4.15Å; T415-L418 HydrophobicContact CG2-CD2 4.09Å; T415-Y429 VanDerWaalsContact CB-O 3.24Å; T415-Y429 WeakPolarHBondContact CB-O 3.36Å; T415-Y429 PolarHBondContact OG1-O 3.21Å; T415-V430 PolarHBondContact N-O 2.83Å; T415-C432 PolarHBondContact O-N 3.22Å
416	L	98.8	Very high	98.2	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.068	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	154.9	177.5	-59	-172.8	0	0	0	111.8	A387 P414 L418	A387-L416 HydrophobicContact CB-CD1 3.85Å; P414-L416 HydrophobicContact CB-CD2 4.14Å; P414-L416 HydrophobicContact CG-CD2 3.78Å; P414-L416 PolarHBondContact O-N 3.25Å; L416-L418 PolarHBondContact O-N 3.01Å
417	N	98.6	Very high	98.2	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.193	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	19.7	175.4	-52	-42	0	0	0	115.3	P266 L267 S269 R270 H273	P266-N417 PolarHBondContact O-ND2 3.47Å; L267-N417 VanDerWaalsContact CD2-OD1 3.3Å; L267-N417 WeakPolarHBondContact CD2-OD1 3.47Å; S269-N417 PolarHBondContact O-ND2 3.35Å; R270-N417 HydrophobicContact CB-CB 3.74Å; H273-N417 PolarHBondContact CD2-O 2.99Å; H273-N417 VanDerWaalsContact CD2-O 3.24Å
418	L	98.8	Very high	98.1	Very high	5 Å²	5	51 Å²	51	3%	0.026	26%	0.263	C	S	.	.			trans	-101.8	68.9	179.4	-167.7	61.6	0	0	0	111.4	P271 F272 H273 T415 L416 R420 T421 Y429 P431	P271-L418 WeakPolarHBondContact O-CD1 3.29Å; F272-L418 HydrophobicContact CB-CD1 4.08Å; F272-L418 HydrophobicContact CB-CD2 4.26Å; F272-L418 HydrophobicContact CD2-CD2 4.3Å; H273-L418 HydrophobicContact CB-CD1 3.93Å; T415-L418 HydrophobicContact CG2-CB 4.15Å; T415-L418 HydrophobicContact CG2-CD2 4.09Å; L416-L418 PolarHBondContact O-N 3.01Å; L418-R420 VanDerWaalsContact C-N 3.35Å; L418-R420 WeakPolarHBondContact CD1-O 3.46Å; L418-T421 HydrophobicContact CD1-CG2 3.83Å; L418-T421 HydrophobicContact CD2-CG2 4.24Å; L418-T421 HydrophobicContact CG-CG2 4.13Å; L418-Y429 HydrophobicContact CD2-CD2 4.36Å; L418-Y429 HydrophobicContact CD2-CG 4.06Å; L418-P431 HydrophobicContact CB-CB 4.3Å; L418-P431 HydrophobicContact CD2-CB 4.38Å; L418-P431 HydrophobicContact CG-CB 4.39Å; L418-P431 WeakPolarHBondContact O-CB 3.17Å
419	D	97.7	Very high	98.1	Very high	116 Å²	116	46.6 Å²	46.6	62%	0.62	25%	0.245	S	C	*	.	S	Bend	trans	-78.1	-19.8	179.1	68.7	-12.3	0	0	0	113.4	H273	H273-D419 IonicContact CD2-OD1 2.84Å; H273-D419 PolarHBondContact CD2-OD1 3.25Å; H273-D419 VanDerWaalsContact CD2-OD1 3.27Å; H273-D419 IonicContact NE2-OD1 3.21Å; H273-D419 PolarHBondContact NE2-OD1 3.33Å
420	R	98.1	Very high	98.2	Very high	110 Å²	110	42.3 Å²	42.3	42%	0.415	23%	0.226	S	C	.	.			trans	-154.7	160.4	176.4	70.2	-169.4	-176.6	-85.6	4.1	111.8	H273 P274 D275 L418	H273-R420 VanDerWaalsContact CE1-CZ 3.46Å; H273-R420 PolarHBondContact CE1-NH1 3.18Å; H273-R420 PolarHBondContact CE1-NH2 3.35Å; H273-R420 PolarHBondContact NE2-NH1 3.41Å; P274-R420 VanDerWaalsContact CD-O 3.32Å; P274-R420 WeakPolarHBondContact CD-O 3.39Å; P274-R420 HydrophobicContact CG-CG 4.07Å; D275-R420 VanDerWaalsContact CG-NH2 3.31Å; D275-R420 IonicContact OD1-NH2 3.38Å; D275-R420 PolarHBondContact OD1-NH2 2.98Å; D275-R420 IonicContact OD2-CZ 3.36Å; D275-R420 IonicContact OD2-NH2 3.17Å; D275-R420 PolarHBondContact OD2-NH2 3.18Å; L418-R420 VanDerWaalsContact C-N 3.35Å; L418-R420 WeakPolarHBondContact CD1-O 3.46Å
421	T	98.3	Very high	98.2	Very high	62 Å²	62	44.6 Å²	44.6	38%	0.38	24%	0.238	S	C	.	.			trans	-129.4	159.8	177	56.6	0	0	0	0	112.1	L418 F425 Y429	L418-T421 HydrophobicContact CD1-CG2 3.83Å; L418-T421 HydrophobicContact CD2-CG2 4.24Å; L418-T421 HydrophobicContact CG-CG2 4.13Å; T421-F425 WeakPolarHBondContact CB-O 3.5Å; T421-F425 HydrophobicContact CG2-CB 4.12Å; T421-F425 PolarHBondContact OG1-O 2.94Å; T421-Y429 HydrophobicContact CG2-CD2 4.18Å; T421-Y429 HydrophobicContact CG2-CE2 4.46Å
422	E	97.6	Very high	98.2	Very high	64 Å²	64	45.3 Å²	45.3	30%	0.299	24%	0.244	S	C	.	.			trans	-77.8	156.1	166.6	-49	174.2	85.2	0	0	109.5	P274 R276 E424 F425	P274-E422 HydrophobicContact CB-CG 3.85Å; P274-E422 HydrophobicContact CG-CG 3.72Å; R276-E422 IonicContact CZ-OE2 3.96Å; R276-E422 IonicContact NH1-OE2 2.85Å; R276-E422 PolarHBondContact NH1-OE2 3.23Å; R276-E422 IonicContact NH2-OE2 3.75Å; R276-E422 PolarHBondContact NH2-OE2 3.02Å; E422-E424 PolarHBondContact O-N 3.27Å; E422-F425 HydrophobicContact CB-CD2 4.1Å; E422-F425 PolarHBondContact O-N 3.46Å
423	P	97.1	Very high	98.1	Very high	126 Å²	126	49.8 Å²	49.8	82%	0.818	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.1	-174.2	-28.5	35.8	0	0	0	115.8	F425	P423-F425 VanDerWaalsContact C-N 3.31Å
424	E	95.5	Very high	98.1	Very high	96 Å²	96	50.9 Å²	50.9	45%	0.449	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-22.8	178	68.9	-175.4	143.1	0	0	113.8	N365 K369 E422 N426	N365-E424 PolarHBondContact ND2-O 2.9Å; K369-E424 PolarHBondContact NZ-O 3.4Å; E422-E424 PolarHBondContact O-N 3.27Å; E424-N426 PolarHBondContact O-N 2.77Å; E424-N426 PolarHBondContact O-OD1 2.95Å
425	F	97.7	Very high	98.1	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	29%	0.293	C	S	.	.			trans	-93.3	82.3	174.8	-65.3	-85	0	0	0	108.9	F272 D361 A362 N365 T421 E422 P423 Y429	F272-F425 HydrophobicContact CB-CD1 3.92Å; F272-F425 HydrophobicContact CB-CE1 4.23Å; F272-F425 HydrophobicContact CB-CG 4.48Å; F272-F425 AromaticContact CD1-CD1 3.87Å; F272-F425 HydrophobicContact CD1-CD1 3.87Å; F272-F425 AromaticContact CD1-CE1 3.73Å; F272-F425 HydrophobicContact CD1-CE1 3.73Å; F272-F425 HydrophobicContact CG-CD1 4.29Å; F272-F425 HydrophobicContact CG-CE1 4.46Å; D361-F425 HydrophobicContact CB-CE1 4.47Å; A362-F425 HydrophobicContact CB-CZ 4.1Å; N365-F425 HydrophobicContact CB-CD1 3.91Å; N365-F425 HydrophobicContact CB-CE1 3.6Å; T421-F425 WeakPolarHBondContact CB-O 3.5Å; T421-F425 HydrophobicContact CG2-CB 4.12Å; T421-F425 PolarHBondContact OG1-O 2.94Å; E422-F425 HydrophobicContact CB-CD2 4.1Å; E422-F425 PolarHBondContact O-N 3.46Å; P423-F425 VanDerWaalsContact C-N 3.31Å; F425-Y429 WeakPolarHBondContact CA-OH 3.24Å; F425-Y429 HydrophobicContact CB-CE2 3.74Å; F425-Y429 HydrophobicContact CD1-CE1 4.41Å; F425-Y429 WeakPolarHBondContact O-CE2 3.37Å
426	N	96.7	Very high	98.1	Very high	107 Å²	107	57.7 Å²	57.7	57%	0.572	32%	0.321	S	S	*	.			trans	-120.8	21.6	-173.1	71.1	-31.2	0	0	0	114.4	K369 E424 Y429	K369-N426 WeakPolarHBondContact CE-OD1 3.2Å; K369-N426 PolarHBondContact NZ-OD1 3.05Å; E424-N426 PolarHBondContact O-N 2.77Å; E424-N426 PolarHBondContact O-OD1 2.95Å; N426-Y429 PolarHBondContact N-OH 2.92Å
427	L	98	Very high	98.1	Very high	23 Å²	23	57.8 Å²	57.8	12%	0.12	32%	0.32	C	S	.	.	S	Bend	trans	-90	170.6	170.3	-54.9	176.6	0	0	0	111.2	I368 K369 T376 V381 Y429	I368-L427 HydrophobicContact CG2-CD1 3.85Å; K369-L427 HydrophobicContact CG-CD1 4.11Å; K369-L427 HydrophobicContact CG-CD2 4.22Å; K369-L427 HydrophobicContact CG-CG 4.33Å; T376-L427 HydrophobicContact CG2-CD2 3.82Å; V381-L427 HydrophobicContact CG2-CD1 3.93Å; L427-Y429 HydrophobicContact CB-CE1 3.94Å; L427-Y429 HydrophobicContact CB-CE2 3.94Å; L427-Y429 HydrophobicContact CD1-CE1 4.27Å; L427-Y429 HydrophobicContact CG-CE1 4.42Å; L427-Y429 VanDerWaalsContact N-CE2 3.29Å; L427-Y429 PolarHBondContact N-OH 3.39Å; L427-Y429 WeakPolarHBondContact O-CD2 3.45Å; L427-Y429 WeakPolarHBondContact O-CE2 3.43Å; L427-Y429 PolarHBondContact O-N 3.38Å; L427-Y429 VanDerWaalsContact O-N 3.11Å
428	N	98.4	Very high	97.8	Very high	64 Å²	64	66.5 Å²	66.5	34%	0.342	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-75.1	95.6	166	175.8	17	0	0	0	109.8	A380 V381 V430 Q435	A380-N428 CarbonylContact C-O 3.57Å; A380-N428 WeakPolarHBondContact CA-O 3.18Å; V381-N428 PolarHBondContact N-O 2.94Å; N428-V430 PolarHBondContact O-N 3.3Å; N428-V430 PolarHBondContact OD1-N 3.28Å; N428-V430 VanDerWaalsContact OD1-N 3.11Å; N428-Q435 PolarHBondContact ND2-OE1 3.4Å; N428-Q435 PolarHBondContact OD1-NE2 3.23Å; N428-Q435 VanDerWaalsContact OD1-NE2 3.12Å; N428-Q435 PolarHBondContact OD1-OE1 3.45Å
429	Y	98.8	Very high	97.3	Very high	7 Å²	7	68.3 Å²	68.3	3%	0.027	36%	0.362	C	S	.	.			trans	-83.1	15.5	179.3	-59.3	-76.5	0	0	0	114.4	F272 N365 V381 T415 L418 T421 F425 N426 L427	F272-Y429 HydrophobicContact CD1-CD1 4.29Å; F272-Y429 HydrophobicContact CD1-CE1 4.22Å; F272-Y429 AromaticContact CD2-CD1 3.7Å; F272-Y429 HydrophobicContact CD2-CD1 3.7Å; F272-Y429 HydrophobicContact CD2-CE1 4.43Å; F272-Y429 HydrophobicContact CD2-CG 4.13Å; F272-Y429 HydrophobicContact CE1-CD1 4.4Å; F272-Y429 HydrophobicContact CE1-CE1 4.36Å; F272-Y429 AromaticContact CE2-CD1 3.85Å; F272-Y429 HydrophobicContact CE2-CD1 3.85Å; F272-Y429 AromaticContact CG-CD1 3.92Å; F272-Y429 HydrophobicContact CG-CD1 3.92Å; F272-Y429 HydrophobicContact CG-CE1 4.24Å; F272-Y429 HydrophobicContact CG-CG 4.43Å; F272-Y429 HydrophobicContact CZ-CD1 4.18Å; N365-Y429 PolarHBondContact OD1-OH 2.92Å; V381-Y429 HydrophobicContact CB-CD1 4.1Å; V381-Y429 HydrophobicContact CB-CE1 4.49Å; V381-Y429 HydrophobicContact CG1-CD1 4.32Å; V381-Y429 CarbonylContact O-C 3.3Å; V381-Y429 WeakPolarHBondContact O-CA 3.47Å; V381-Y429 VanDerWaalsContact O-O 3.1Å; T415-Y429 VanDerWaalsContact CB-O 3.24Å; T415-Y429 WeakPolarHBondContact CB-O 3.36Å; T415-Y429 PolarHBondContact OG1-O 3.21Å; L418-Y429 HydrophobicContact CD2-CD2 4.36Å; L418-Y429 HydrophobicContact CD2-CG 4.06Å; T421-Y429 HydrophobicContact CG2-CD2 4.18Å; T421-Y429 HydrophobicContact CG2-CE2 4.46Å; F425-Y429 WeakPolarHBondContact CA-OH 3.24Å; F425-Y429 HydrophobicContact CB-CE2 3.74Å; F425-Y429 HydrophobicContact CD1-CE1 4.41Å; F425-Y429 WeakPolarHBondContact O-CE2 3.37Å; N426-Y429 PolarHBondContact N-OH 2.92Å; L427-Y429 HydrophobicContact CB-CE1 3.94Å; L427-Y429 HydrophobicContact CB-CE2 3.94Å; L427-Y429 HydrophobicContact CD1-CE1 4.27Å; L427-Y429 HydrophobicContact CG-CE1 4.42Å; L427-Y429 VanDerWaalsContact N-CE2 3.29Å; L427-Y429 PolarHBondContact N-OH 3.39Å; L427-Y429 WeakPolarHBondContact O-CD2 3.45Å; L427-Y429 WeakPolarHBondContact O-CE2 3.43Å; L427-Y429 PolarHBondContact O-N 3.38Å; L427-Y429 VanDerWaalsContact O-N 3.11Å
430	V	98.8	Very high	96.7	Very high	0 Å²	0	73 Å²	73	0%	0	38%	0.38	C	S	.	.			trans	47.4	55.8	-173.7	-163.3	0	0	0	0	111.2	A380 V381 L412 P413 P414 T415 N428 C432 Q435	A380-V430 HydrophobicContact CB-CG2 3.99Å; V381-V430 PolarHBondContact O-N 3.17Å; L412-V430 HydrophobicContact CB-CG1 4.18Å; L412-V430 HydrophobicContact CB-CG2 4.16Å; L412-V430 HydrophobicContact CD1-CG2 4.04Å; P413-V430 WeakPolarHBondContact O-CG1 3.49Å; P414-V430 CarbonylContact C-O 3.58Å; P414-V430 WeakPolarHBondContact CA-O 3.3Å; T415-V430 PolarHBondContact N-O 2.83Å; N428-V430 PolarHBondContact O-N 3.3Å; N428-V430 PolarHBondContact OD1-N 3.28Å; N428-V430 VanDerWaalsContact OD1-N 3.11Å; V430-C432 PolarHBondContact O-N 3.23Å; V430-Q435 HydrophobicContact CG1-CB 4.08Å; V430-Q435 HydrophobicContact CG1-CG 3.79Å
431	P	98.7	Very high	96.2	Very high	61 Å²	61	70.2 Å²	70.2	40%	0.396	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-68.1	125.8	-167.6	27.7	-34.9	0	0	0	111.6	L418 T433	L418-P431 HydrophobicContact CB-CB 4.3Å; L418-P431 HydrophobicContact CD2-CB 4.38Å; L418-P431 HydrophobicContact CG-CB 4.39Å; L418-P431 WeakPolarHBondContact O-CB 3.17Å; P431-T433 PolarHBondContact O-N 3.16Å
432	C	98.4	Very high	96	Very high	54 Å²	54	72.9 Å²	72.9	37%	0.365	39%	0.389	S	S	.	.	S	Bend	trans	62	-26.6	169.6	-60.7	0	0	0	0	117.9	T415 V430	T415-C432 PolarHBondContact O-N 3.22Å; V430-C432 PolarHBondContact O-N 3.23Å
433	T	98.6	Very high	96.1	Very high	100 Å²	100	72.8 Å²	72.8	61%	0.613	39%	0.386	S	S	*	.	S	Bend	trans	-135.1	136.2	-175.9	-56.2	0	0	0	0	110.7	P431	P431-T433 PolarHBondContact O-N 3.16Å
434	A	98.7	Very high	96.1	Very high	23 Å²	23	67.7 Å²	67.7	19%	0.19	35%	0.351	C	S	.	.			trans	-56.9	146.5	178	0	0	0	0	0	111.4	I70 V411 L412	I70-A434 HydrophobicContact CD1-CB 4.21Å; I70-A434 HydrophobicContact CG2-CB 3.78Å; V411-A434 HydrophobicContact CG1-CB 4.1Å; L412-A434 VanDerWaalsContact O-CA 3.23Å; L412-A434 WeakPolarHBondContact O-CA 3.39Å; L412-A434 VanDerWaalsContact O-CB 3.32Å; L412-A434 WeakPolarHBondContact O-CB 3.42Å
435	Q	98.7	Very high	96.3	Very high	55 Å²	55	63.1 Å²	63.1	26%	0.257	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.6	-178.7	-70	175	9.4	0	0	111	L412 N428 V430 W437	L412-Q435 HydrophobicContact CB-CB 4.4Å; L412-Q435 PolarHBondContact N-O 3.31Å; L412-Q435 PolarHBondContact O-N 3.22Å; L412-Q435 VanDerWaalsContact O-N 3.12Å; N428-Q435 PolarHBondContact ND2-OE1 3.4Å; N428-Q435 PolarHBondContact OD1-NE2 3.23Å; N428-Q435 VanDerWaalsContact OD1-NE2 3.12Å; N428-Q435 PolarHBondContact OD1-OE1 3.45Å; V430-Q435 HydrophobicContact CG1-CB 4.08Å; V430-Q435 HydrophobicContact CG1-CG 3.79Å; Q435-W437 PolarHBondContact O-N 2.85Å
436	P	98.3	Very high	96.3	Very high	89 Å²	89	63 Å²	63	58%	0.578	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	132.5	169	-21.5	32.8	0	0	0	111.1	R438	P436-R438 HydrophobicContact CB-CG 4.43Å; P436-R438 PolarHBondContact O-N 2.88Å
437	W	97.8	Very high	96.4	Very high	14 Å²	14	58 Å²	58	5%	0.053	30%	0.303	C	S	.	.			trans	-96	88	177.8	-164.8	4.1	0	0	0	110.6	T348 Y349 A406 G410 L412 Q435 R443 L444 A445	T348-W437 WeakPolarHBondContact OG1-CZ2 3.32Å; T348-W437 PolarHBondContact OG1-NE1 2.95Å; Y349-W437 HydrophobicContact CD1-CE3 4.5Å; Y349-W437 HydrophobicContact CD1-CH2 4.07Å; Y349-W437 AromaticContact CD1-CZ3 3.96Å; Y349-W437 HydrophobicContact CD1-CZ3 3.96Å; Y349-W437 HydrophobicContact CG-CH2 4.27Å; Y349-W437 HydrophobicContact CG-CZ2 4.37Å; Y349-W437 HydrophobicContact CG-CZ3 4.39Å; A406-W437 HydrophobicContact CB-CE3 4.16Å; A406-W437 HydrophobicContact CB-CZ3 4.08Å; G410-W437 PolarHBondContact O-N 3.22Å; L412-W437 HydrophobicContact CD1-CG 4.46Å; L412-W437 HydrophobicContact CD2-CB 3.73Å; L412-W437 HydrophobicContact CD2-CD2 3.37Å; L412-W437 HydrophobicContact CD2-CE3 3.45Å; L412-W437 VanDerWaalsContact CD2-CE3 3.45Å; L412-W437 HydrophobicContact CD2-CG 3.49Å; L412-W437 VanDerWaalsContact CD2-CG 3.49Å; L412-W437 HydrophobicContact CD2-CZ3 4.27Å; L412-W437 HydrophobicContact CG-CB 3.82Å; L412-W437 HydrophobicContact CG-CD2 4.37Å; L412-W437 HydrophobicContact CG-CG 4Å; Q435-W437 PolarHBondContact O-N 2.85Å; W437-R443 HydrophobicContact CD2-CB 4.13Å; W437-R443 HydrophobicContact CD2-CG 3.89Å; W437-R443 HydrophobicContact CE3-CB 4.1Å; W437-R443 HydrophobicContact CE3-CG 4.17Å; W437-R443 HydrophobicContact CG-CG 4.24Å; W437-R443 HydrophobicContact CH2-CB 3.67Å; W437-R443 HydrophobicContact CH2-CG 4.47Å; W437-R443 HydrophobicContact CZ2-CB 3.75Å; W437-R443 HydrophobicContact CZ2-CG 4.27Å; W437-R443 HydrophobicContact CZ3-CB 3.88Å; W437-R443 HydrophobicContact CZ3-CG 4.46Å; W437-L444 WeakPolarHBondContact CZ2-O 3.04Å; W437-A445 HydrophobicContact CH2-CB 3.65Å; W437-A445 HydrophobicContact CZ2-CB 4.45Å; W437-A445 HydrophobicContact CZ3-CB 4.41Å
438	R	92.7	Very high	96.5	Very high	219 Å²	219	56.9 Å²	56.9	83%	0.826	30%	0.297	S	S	*	.			trans	-94.7	122	179.9	-60.7	-176.4	-176.9	-82.1	-1.1	110.1	P436	P436-R438 HydrophobicContact CB-CG 4.43Å; P436-R438 PolarHBondContact O-N 2.88Å
439	T	89.8	Confident	96.5	Very high	44 Å²	44	53.8 Å²	53.8	27%	0.27	28%	0.281	S	S	.	.			trans	-132.7	149.2	178.3	56.3	0	0	0	0	109.9	T348 G441 R443	T348-T439 HydrophobicContact CG2-CG2 4.48Å; T439-G441 VanDerWaalsContact C-N 3.28Å; T439-G441 PolarHBondContact OG1-O 2.83Å; T439-R443 HydrophobicContact CG2-CG 3.98Å; T439-R443 WeakPolarHBondContact OG1-CG 3.28Å
440	E	84.4	Confident	96.5	Very high	213 Å²	213	54.9 Å²	54.9	100%	0.995	29%	0.285	S	S	*	.	S	Bend	trans	-76.6	-18	174.4	-64.3	-173.7	166.4	0	0	112.5
441	G	88.4	Confident	96.4	Very high	53 Å²	53	55.3 Å²	55.3	55%	0.546	29%	0.29	S	S	.	.	S	Bend	trans	-129.9	-153.2	177.2	0	0	0	0	0	112.9	T439	T439-G441 VanDerWaalsContact C-N 3.28Å; T439-G441 PolarHBondContact OG1-O 2.83Å
442	R	93.9	Very high	96.3	Very high	118 Å²	118	55.9 Å²	55.9	45%	0.445	29%	0.286	S	S	.	.			trans	-59.2	140.4	174.8	-66	-173.4	-175	-172.5	1.9	110.1	E306 L444	E306-R442 IonicContact OE2-NH1 3.76Å; R442-L444 PolarHBondContact O-N 2.96Å
443	R	98	Very high	96.2	Very high	61 Å²	61	56 Å²	56	23%	0.23	30%	0.296	C	S	.	.			trans	-74.3	117.1	168.1	-71.9	178.7	-68.7	-80	1.2	107.7	C407 W437 T439 S462 S463	C407-R443 PolarHBondContact O-NE 3.44Å; C407-R443 PolarHBondContact O-NH2 3Å; W437-R443 HydrophobicContact CD2-CB 4.13Å; W437-R443 HydrophobicContact CD2-CG 3.89Å; W437-R443 HydrophobicContact CE3-CB 4.1Å; W437-R443 HydrophobicContact CE3-CG 4.17Å; W437-R443 HydrophobicContact CG-CG 4.24Å; W437-R443 HydrophobicContact CH2-CB 3.67Å; W437-R443 HydrophobicContact CH2-CG 4.47Å; W437-R443 HydrophobicContact CZ2-CB 3.75Å; W437-R443 HydrophobicContact CZ2-CG 4.27Å; W437-R443 HydrophobicContact CZ3-CB 3.88Å; W437-R443 HydrophobicContact CZ3-CG 4.46Å; T439-R443 HydrophobicContact CG2-CG 3.98Å; T439-R443 WeakPolarHBondContact OG1-CG 3.28Å; R443-S462 CarbonylContact O-C 3.51Å; R443-S462 VanDerWaalsContact O-CA 3.24Å; R443-S462 WeakPolarHBondContact O-CA 3.37Å; R443-S463 PolarHBondContact N-OG 3.34Å; R443-S463 PolarHBondContact O-N 3.49Å
444	L	98.3	Very high	96.1	Very high	19 Å²	19	51.5 Å²	51.5	10%	0.099	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.9	-178.8	-76.8	162.3	0	0	0	109.1	L308 V342 D346 V347 T348 Y349 W437 R442 S462	L308-L444 HydrophobicContact CD1-CD2 3.46Å; L308-L444 VanDerWaalsContact CD1-CD2 3.46Å; V342-L444 HydrophobicContact CG1-CD1 4.18Å; V342-L444 HydrophobicContact CG2-CD2 4.42Å; D346-L444 HydrophobicContact CB-CD1 3.67Å; V347-L444 HydrophobicContact CG2-CB 4.18Å; T348-L444 PolarHBondContact N-O 3.26Å; T348-L444 VanDerWaalsContact N-O 3.07Å; Y349-L444 PolarHBondContact N-O 2.92Å; W437-L444 WeakPolarHBondContact CZ2-O 3.04Å; R442-L444 PolarHBondContact O-N 2.96Å; L444-S462 VanDerWaalsContact CD2-CB 3.42Å
445	A	98.8	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.5	-178.6	0	0	0	0	0	113.3	Y349 T403 W437 C460 L461	Y349-A445 HydrophobicContact CD1-CB 3.79Å; Y349-A445 HydrophobicContact CG-CB 4.4Å; Y349-A445 WeakPolarHBondContact O-CA 3.13Å; Y349-A445 WeakPolarHBondContact O-CB 3.24Å; T403-A445 HydrophobicContact CG2-CB 3.43Å; T403-A445 VanDerWaalsContact CG2-CB 3.43Å; W437-A445 HydrophobicContact CH2-CB 3.65Å; W437-A445 HydrophobicContact CZ2-CB 4.45Å; W437-A445 HydrophobicContact CZ3-CB 4.41Å; A445-C460 WeakPolarHBondContact O-CA 3.23Å; A445-L461 PolarHBondContact N-O 2.78Å; A445-L461 PolarHBondContact O-N 2.87Å
446	L	98.9	Very high	96.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.5	159.7	-66	173.6	0	0	0	109.9	M333 A336 L337 V347 Y349 I350 N351 F372 L459 C460	M333-L446 HydrophobicContact CB-CD1 4.09Å; M333-L446 HydrophobicContact CG-CD1 4.07Å; M333-L446 HydrophobicContact SD-CD1 4.12Å; A336-L446 HydrophobicContact CB-CD2 4.24Å; L337-L446 HydrophobicContact CD2-CD1 4.23Å; L337-L446 HydrophobicContact CD2-CD2 3.95Å; L337-L446 HydrophobicContact CD2-CG 4.32Å; L337-L446 HydrophobicContact CG-CD1 4.36Å; L337-L446 HydrophobicContact CG-CD2 4.42Å; V347-L446 HydrophobicContact CG1-CG 4.21Å; Y349-L446 PolarHBondContact O-N 3.17Å; I350-L446 CarbonylContact C-O 3.59Å; I350-L446 VanDerWaalsContact CA-O 3.28Å; I350-L446 WeakPolarHBondContact CA-O 3.41Å; I350-L446 HydrophobicContact CG1-CB 4.29Å; I350-L446 HydrophobicContact CG2-CB 4.41Å; N351-L446 PolarHBondContact N-O 2.8Å; F372-L446 HydrophobicContact CE2-CD1 4.24Å; F372-L446 HydrophobicContact CZ-CD1 4Å; L446-L459 WeakPolarHBondContact CA-O 3.42Å; L446-C460 HydrophobicContact CD2-CB 3.91Å
447	T	98.9	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.7	163.6	-178.7	0	0	0	0	108.7	N351 A400 S458 L459	N351-T447 WeakPolarHBondContact O-CA 3.43Å; A400-T447 HydrophobicContact CB-CG2 4.16Å; T447-S458 WeakPolarHBondContact O-CA 3.2Å; T447-L459 HydrophobicContact CG2-CB 3.72Å; T447-L459 HydrophobicContact CG2-CD1 4.23Å; T447-L459 HydrophobicContact CG2-CG 4.43Å; T447-L459 PolarHBondContact N-O 3.02Å; T447-L459 PolarHBondContact O-N 3.45Å
448	N	98.9	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.6	-170.1	-71.7	-21.3	0	0	0	111.9	M333 N351 H353 E364 F450 S458	M333-N448 WeakPolarHBondContact CG-OD1 3.42Å; M333-N448 PolarHBondContact SD-ND2 3.04Å; N351-N448 PolarHBondContact O-N 2.98Å; H353-N448 HydrophobicContact CB-CB 4.29Å; E364-N448 WeakPolarHBondContact OE1-CB 3.46Å; E364-N448 PolarHBondContact OE1-ND2 2.83Å; N448-F450 HydrophobicContact CB-CE1 4.08Å; N448-F450 HydrophobicContact CB-CE2 4.22Å; N448-F450 HydrophobicContact CB-CZ 3.63Å; N448-S458 WeakPolarHBondContact OD1-CB 3.41Å; N448-S458 PolarHBondContact OD1-OG 2.89Å
449	S	98.8	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	125.4	171.2	-53.4	0	0	0	0	110.7	T213 S216 G396 A457	T213-S449 WeakPolarHBondContact CG2-O 3.42Å; T213-S449 PolarHBondContact OG1-O 3.49Å; S216-S449 PolarHBondContact OG-OG 2.93Å; G396-S449 VanDerWaalsContact CA-OG 3.29Å; G396-S449 WeakPolarHBondContact CA-OG 3.3Å; S449-A457 PolarHBondContact N-O 3.37Å; S449-A457 PolarHBondContact O-N 3.04Å
450	F	98.5	Very high	97	Very high	29 Å²	29	32.1 Å²	32.1	13%	0.127	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.3	-179.3	-46.8	-43.4	0	0	0	109.3	C212 A329 C332 H353 E364 N448 N456	C212-F450 WeakPolarHBondContact CB-O 3.17Å; A329-F450 HydrophobicContact CB-CD1 4.5Å; A329-F450 HydrophobicContact CB-CD2 4.43Å; A329-F450 HydrophobicContact CB-CE1 3.86Å; A329-F450 HydrophobicContact CB-CE2 3.73Å; A329-F450 HydrophobicContact CB-CZ 3.41Å; A329-F450 VanDerWaalsContact CB-CZ 3.41Å; C332-F450 VanDerWaalsContact SG-CE1 3.59Å; H353-F450 HydrophobicContact CB-CD2 3.59Å; H353-F450 HydrophobicContact CB-CE2 3.84Å; H353-F450 HydrophobicContact CB-CG 4.2Å; H353-F450 AromaticContact CD2-CD2 3.78Å; H353-F450 PolarHBondContact CE1-O 3.47Å; H353-F450 AromaticContact CG-CD2 3.88Å; H353-F450 PolarHBondContact ND1-N 2.64Å; H353-F450 PolarHBondContact NE2-O 2.85Å; E364-F450 HydrophobicContact CB-CE2 4.05Å; E364-F450 HydrophobicContact CG-CE2 3.78Å; E364-F450 HydrophobicContact CG-CZ 4.5Å; E364-F450 WeakPolarHBondContact OE1-CE2 3.24Å; N448-F450 HydrophobicContact CB-CE1 4.08Å; N448-F450 HydrophobicContact CB-CE2 4.22Å; N448-F450 HydrophobicContact CB-CZ 3.63Å; F450-N456 HydrophobicContact CD1-CB 3.73Å; F450-N456 HydrophobicContact CE1-CB 4.24Å
451	G	96.6	Very high	97.6	Very high	9 Å²	9	22 Å²	22	9%	0.093	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.2	-169.2	0	0	0	0	0	112.4	T213 G454 T455	T213-G451 WeakPolarHBondContact OG1-CA 3.29Å; T213-G451 PolarHBondContact OG1-N 3.12Å; G451-G454 WeakPolarHBondContact O-CA 3.5Å; G451-G454 PolarHBondContact O-N 3.37Å; G451-T455 PolarHBondContact N-O 3.14Å; G451-T455 PolarHBondContact O-N 2.96Å
452	F	96.8	Very high	98.1	Very high	74 Å²	74	19.5 Å²	19.5	33%	0.325	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	147.1	165.4	-76.5	10.6	0	0	0	110.8	A211 F251 A256 T320 G454	A211-F452 HydrophobicContact CB-CB 4.19Å; F251-F452 HydrophobicContact CD1-CE2 4.3Å; F251-F452 AromaticContact CE1-CE2 3.88Å; F251-F452 HydrophobicContact CE1-CE2 3.88Å; F251-F452 HydrophobicContact CE1-CZ 4.33Å; A256-F452 HydrophobicContact CB-CZ 4.2Å; T320-F452 HydrophobicContact CG2-CD1 4.47Å; T320-F452 HydrophobicContact CG2-CD2 3.77Å; T320-F452 HydrophobicContact CG2-CE1 4.45Å; T320-F452 HydrophobicContact CG2-CE2 3.75Å; T320-F452 HydrophobicContact CG2-CG 4.15Å; T320-F452 HydrophobicContact CG2-CZ 4.1Å; F452-G454 VanDerWaalsContact C-N 3.26Å
453	G	96.5	Very high	98.3	Very high	56 Å²	56	14.3 Å²	14.3	58%	0.577	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	-1.1	-164.5	0	0	0	0	0	113.6	I319	I319-G453 PolarHBondContact O-N 2.73Å
454	G	97	Very high	98.1	Very high	6 Å²	6	14 Å²	14	6%	0.062	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	35.1	-179.8	0	0	0	0	0	112.3	G314 D315 G451 F452	G314-G454 CarbonylContact C-O 3.33Å; G314-G454 VanDerWaalsContact CA-O 3.23Å; G314-G454 WeakPolarHBondContact CA-O 3.28Å; D315-G454 PolarHBondContact N-O 3.17Å; G451-G454 WeakPolarHBondContact O-CA 3.5Å; G451-G454 PolarHBondContact O-N 3.37Å; F452-G454 VanDerWaalsContact C-N 3.26Å
455	T	98.5	Very high	97.2	Very high	34 Å²	34	19.7 Å²	19.7	21%	0.209	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.3	-178.7	-175.7	0	0	0	0	110.3	T210 T213 H217 G451	T210-T455 WeakPolarHBondContact O-CG2 3.26Å; T213-T455 PolarHBondContact OG1-O 3.17Å; H217-T455 PolarHBondContact CE1-OG1 2.96Å; G451-T455 PolarHBondContact N-O 3.14Å; G451-T455 PolarHBondContact O-N 2.96Å
456	N	98.8	Very high	97.1	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.9	-168.3	-51.7	-44.1	0	0	0	111.5	L312 S313 D315 G328 C332 F450	L312-N456 VanDerWaalsContact CA-O 3.3Å; L312-N456 WeakPolarHBondContact CA-O 3.46Å; S313-N456 PolarHBondContact N-O 3.35Å; S313-N456 PolarHBondContact O-N 3.12Å; S313-N456 WeakPolarHBondContact OG-CB 3.48Å; S313-N456 PolarHBondContact OG-ND2 3.43Å; D315-N456 PolarHBondContact OD1-ND2 2.98Å; G328-N456 WeakPolarHBondContact CA-ND2 3.39Å; C332-N456 HydrophobicContact CB-CB 4Å; F450-N456 HydrophobicContact CD1-CB 3.73Å; F450-N456 HydrophobicContact CE1-CB 4.24Å
457	A	98.9	Very high	97	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.3	170.9	0	0	0	0	0	111.9	T213 Y310 G311 S449	T213-A457 HydrophobicContact CG2-CB 3.29Å; Y310-A457 HydrophobicContact CE2-CB 4.26Å; G311-A457 CarbonylContact O-C 3.57Å; G311-A457 VanDerWaalsContact O-CA 3.31Å; G311-A457 WeakPolarHBondContact O-CA 3.34Å; S449-A457 PolarHBondContact N-O 3.37Å; S449-A457 PolarHBondContact O-N 3.04Å
458	S	98.9	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.7	167.1	-62.6	0	0	0	0	109.3	G311 C332 M333 A336 T447 N448	G311-S458 PolarHBondContact N-O 3.36Å; G311-S458 PolarHBondContact O-N 3.38Å; C332-S458 PolarHBondContact SG-OG 2.88Å; M333-S458 VanDerWaalsContact CG-OG 3.32Å; M333-S458 WeakPolarHBondContact CG-OG 3.48Å; M333-S458 PolarHBondContact N-OG 2.94Å; A336-S458 WeakPolarHBondContact CB-O 3.4Å; T447-S458 WeakPolarHBondContact O-CA 3.2Å; N448-S458 WeakPolarHBondContact OD1-CB 3.41Å; N448-S458 PolarHBondContact OD1-OG 2.89Å
459	L	98.9	Very high	96.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.8	169.8	-60.8	167	0	0	0	109.2	I219 G309 Y310 A400 L446 T447 L461	I219-L459 HydrophobicContact CB-CD1 3.98Å; I219-L459 HydrophobicContact CG2-CD1 3.72Å; G309-L459 WeakPolarHBondContact O-CA 3.36Å; Y310-L459 HydrophobicContact CD2-CD2 3.72Å; Y310-L459 HydrophobicContact CE2-CD2 4.45Å; Y310-L459 HydrophobicContact CG-CD2 4.13Å; A400-L459 HydrophobicContact CB-CD1 4.13Å; L446-L459 WeakPolarHBondContact CA-O 3.42Å; T447-L459 HydrophobicContact CG2-CB 3.72Å; T447-L459 HydrophobicContact CG2-CD1 4.23Å; T447-L459 HydrophobicContact CG2-CG 4.43Å; T447-L459 PolarHBondContact N-O 3.02Å; T447-L459 PolarHBondContact O-N 3.45Å; L459-L461 HydrophobicContact CB-CD2 4.48Å
460	C	98.9	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.6	172.1	-175.2	0	0	0	0	109	L308 G309 A340 A445 L446	L308-C460 PolarHBondContact N-O 2.89Å; G309-C460 PolarHBondContact N-O 2.92Å; G309-C460 PolarHBondContact O-N 3Å; A340-C460 HydrophobicContact CB-CB 3.92Å; A445-C460 WeakPolarHBondContact O-CA 3.23Å; L446-C460 HydrophobicContact CD2-CB 3.91Å
461	L	98.9	Very high	96.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.6	-179	-56.5	-172.6	0	0	0	110.6	I49 E306 V307 T403 A404 A445 L459	I49-L461 HydrophobicContact CD1-CD1 4.31Å; I49-L461 HydrophobicContact CD1-CD2 4.44Å; E306-L461 WeakPolarHBondContact O-CA 3.4Å; V307-L461 HydrophobicContact CB-CD2 4.17Å; V307-L461 HydrophobicContact CG1-CD2 4.19Å; V307-L461 HydrophobicContact CG2-CD2 3.84Å; T403-L461 HydrophobicContact CG2-CB 4.36Å; T403-L461 HydrophobicContact CG2-CD1 3.95Å; T403-L461 HydrophobicContact CG2-CG 4.46Å; A404-L461 HydrophobicContact CB-CD1 4.37Å; A445-L461 PolarHBondContact N-O 2.78Å; A445-L461 PolarHBondContact O-N 2.87Å; L459-L461 HydrophobicContact CB-CD2 4.48Å
462	S	98.6	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.9	174.8	78.3	0	0	0	0	113.5	A305 E306 R443 L444	A305-S462 CarbonylContact C-O 3.51Å; A305-S462 WeakPolarHBondContact CA-O 3.17Å; A305-S462 VanDerWaalsContact CB-O 3.29Å; A305-S462 WeakPolarHBondContact CB-O 3.39Å; E306-S462 PolarHBondContact N-O 3.21Å; E306-S462 PolarHBondContact O-N 3.22Å; R443-S462 CarbonylContact O-C 3.51Å; R443-S462 VanDerWaalsContact O-CA 3.24Å; R443-S462 WeakPolarHBondContact O-CA 3.37Å; L444-S462 VanDerWaalsContact CD2-CB 3.42Å
463	S	98.2	Very high	96.6	Very high	10 Å²	10	23.2 Å²	23.2	7%	0.07	16%	0.159	C	C	.	.			trans	-60.7	135.9	165.3	59.5	0	0	0	0	110.2	R443	R443-S463 PolarHBondContact N-OG 3.34Å; R443-S463 PolarHBondContact O-N 3.49Å
464	F	93.8	Very high	96.6	Very high	53 Å²	53	20.4 Å²	20.4	23%	0.232	12%	0.124	C	C	.	.			trans	-82.3	141.4	172.8	-164.1	-99	0	0	0	110.7	V48 L293 I303	V48-F464 HydrophobicContact CG1-CD2 4.29Å; V48-F464 HydrophobicContact CG1-CE2 4.37Å; L293-F464 HydrophobicContact CD1-CE2 3.52Å; L293-F464 HydrophobicContact CD1-CZ 3.61Å; L293-F464 HydrophobicContact CD2-CE2 4.26Å; I303-F464 HydrophobicContact CB-CB 4.27Å; I303-F464 HydrophobicContact CB-CD1 4.13Å; I303-F464 HydrophobicContact CB-CG 4.13Å; I303-F464 HydrophobicContact CD1-CD1 3.9Å; I303-F464 HydrophobicContact CD1-CD2 4.33Å; I303-F464 HydrophobicContact CD1-CE1 3.63Å; I303-F464 HydrophobicContact CD1-CE2 4.1Å; I303-F464 HydrophobicContact CD1-CG 4.23Å; I303-F464 HydrophobicContact CD1-CZ 3.74Å; I303-F464 HydrophobicContact CG2-CB 3.53Å; I303-F464 HydrophobicContact CG2-CD1 4.1Å; I303-F464 HydrophobicContact CG2-CD2 3.94Å; I303-F464 HydrophobicContact CG2-CG 3.59Å
465	P	79.4	Confident	96.5	Very high	139 Å²	139	21.7 Å²	21.7	90%	0.903	13%	0.13	S	C	*	.			trans	-61	0	-177.1	-22.9	34.2	0	0	0	115.7

Retrieved 465 of 465 residues in 374 ms (Link to these results)

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