A0A087XNH4_POEFO Loading...

Thymocyte nuclear protein 1

Specifically binds 5-hydroxymethylcytosine (5hmC), suggesting that it acts as a specific reader of 5hmC.

AlphaFold DB , UniProt , Accession A0A087XNH4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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	37.7	Very low	37.4	Very low	239 Å²	239	173.9 Å²	173.9	100%	1.177	87%	0.874	S	S	*	*				0	119.4	0	-79.1	-171.6	168.1	0	0	108.7
2	P	44.2	Very low	36.6	Very low	117 Å²	117	168.1 Å²	168.1	76%	0.76	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-82.4	140.5	171.5	31.3	-29.5	0	0	0	110.3	K4	P2-K4 PolarHBondContact O-N 3.22Å
3	P	47	Very low	36	Very low	129 Å²	129	164.9 Å²	164.9	84%	0.838	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-72.6	128.1	-179.5	27.5	-30.8	0	0	0	111.3
4	K	38.4	Very low	35.4	Very low	206 Å²	206	159.6 Å²	159.6	90%	0.896	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-70.2	122.9	179.6	-63	174.7	177.8	178	0	110.7	P2	P2-K4 PolarHBondContact O-N 3.22Å
5	K	42.4	Very low	35	Very low	211 Å²	211	158.9 Å²	158.9	92%	0.917	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-88.1	125.8	164.5	-76.8	-175.3	177.8	178.2	0	109.9
6	K	37.6	Very low	34.5	Very low	199 Å²	199	156.1 Å²	156.1	87%	0.865	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-73.1	151.3	-179.6	-74.5	-179.7	177.3	178.8	0	112.1
7	P	36.5	Very low	34	Very low	123 Å²	123	151.2 Å²	151.2	80%	0.799	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-82.3	148.4	-174.1	33.4	-33.8	0	0	0	112.5
8	R	34.1	Very low	33.7	Very low	250 Å²	250	153.3 Å²	153.3	94%	0.943	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-102.8	122.2	171.9	-169	173.3	176.3	177.1	-1.7	109.9
9	V	30.5	Very low	33.3	Very low	128 Å²	128	152.3 Å²	152.3	78%	0.776	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-85.5	137.4	174.5	175.9	0	0	0	0	109.5
10	S	33.7	Very low	33.1	Very low	109 Å²	109	150.8 Å²	150.8	76%	0.762	84%	0.835	S	S	*	*			trans	-157.2	107.5	146.3	56.1	0	0	0	0	112.5
11	K	29.8	Very low	32.8	Very low	202 Å²	202	150.7 Å²	150.7	88%	0.878	83%	0.833	S	S	*	*			trans	31.6	123.5	142.8	-68.1	-178.8	177	179.4	0	120.6
12	A	26.9	Very low	32.3	Very low	104 Å²	104	143.2 Å²	143.2	86%	0.86	81%	0.81	S	S	*	*			trans	-65.3	152.3	161.3	0	0	0	0	0	113.1
13	S	29.9	Very low	31.5	Very low	127 Å²	127	147 Å²	147	89%	0.888	81%	0.814	S	S	*	*			trans	-141.5	129.3	145.8	-159.6	0	0	0	0	108.5
14	A	27.1	Very low	30.5	Very low	90 Å²	90	150 Å²	150	74%	0.744	81%	0.814	S	S	*	*			trans	-96.3	146.1	175.2	0	0	0	0	0	109.1
15	N	28.9	Very low	30.1	Very low	149 Å²	149	147.2 Å²	147.2	80%	0.797	81%	0.814	S	S	*	*				-170.2	135.3	116.8	-143.1	-0.3	0	0	0	113.8
16	S	27.4	Very low	29.3	Very low	114 Å²	114	141.9 Å²	141.9	80%	0.797	80%	0.804	S	S	*	*			trans	7	145.3	146.4	-56.6	0	0	0	0	123
17	G	26.6	Very low	28.9	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	80%	0.802	S	S	*	*			trans	164.3	87.2	143.4	0	0	0	0	0	117.5
18	K	27.3	Very low	28.6	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	81%	0.805	S	S	*	*			trans	34.8	122.6	143.4	-74.4	-177.8	168.9	177.8	0	122.6
19	I	26.9	Very low	28.3	Very low	134 Å²	134	129.7 Å²	129.7	69%	0.687	80%	0.798	S	S	*	*				65.7	116.1	98.8	-54.3	169.3	0	0	0	114.9
20	V	29.3	Very low	28.3	Very low	122 Å²	122	134.3 Å²	134.3	74%	0.739	80%	0.802	S	S	*	*				179.8	137	107.4	-83.3	0	0	0	0	111.6
21	D	27.6	Very low	28.1	Very low	149 Å²	149	139 Å²	139	80%	0.797	81%	0.808	S	S	*	*			trans	28.1	156.6	137.7	-64.3	-64.9	0	0	0	122
22	A	26.7	Very low	28.2	Very low	82 Å²	82	140.2 Å²	140.2	68%	0.678	81%	0.807	S	S	*	*			cis	175.5	171	-17.3	0	0	0	0	0	105
23	K	27.6	Very low	28.5	Very low	198 Å²	198	145.4 Å²	145.4	86%	0.861	81%	0.81	S	S	*	*			trans	92.7	90.2	152.9	-131.2	173.1	-169.7	177.8	0	118.4
24	K	26.5	Very low	28.5	Very low	190 Å²	190	144.2 Å²	144.2	83%	0.826	81%	0.808	S	S	*	*				12.1	133.9	121.5	-73	177.2	174.3	175.9	0	116.9
25	T	28.1	Very low	28.5	Very low	148 Å²	148	145 Å²	145	91%	0.908	82%	0.815	S	S	*	*				-158	115.8	117.4	15.6	0	0	0	0	111.4
26	S	27	Very low	28.7	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	82%	0.815	S	S	*	*			trans	-81.4	146.2	159.9	50	0	0	0	0	110.5
27	T	29.3	Very low	29.3	Very low	133 Å²	133	143 Å²	143	82%	0.816	82%	0.816	S	S	*	*			trans	176.9	114.9	135	22.1	0	0	0	0	108
28	A	30.6	Very low	29.5	Very low	105 Å²	105	147.2 Å²	147.2	87%	0.868	82%	0.821	S	S	*	*				57.2	125.2	93.9	0	0	0	0	0	112
29	G	26.1	Very low	30.1	Very low	77 Å²	77	142.8 Å²	142.8	79%	0.794	82%	0.819	S	S	*	*			cis	145.2	136.2	19.3	0	0	0	0	0	105.8
30	R	30.8	Very low	30.7	Very low	226 Å²	226	146 Å²	146	85%	0.853	83%	0.828	S	S	*	*			trans	-149.3	103.2	165	-142.2	170.5	-172.5	177.3	2.8	111.2
31	K	29.8	Very low	30.9	Very low	208 Å²	208	147 Å²	147	90%	0.904	84%	0.835	S	S	*	*			trans	-68.4	139.4	163.5	-79.4	177.5	170.6	178.5	0	109.6
32	R	32.4	Very low	31.1	Very low	227 Å²	227	143.3 Å²	143.3	86%	0.857	83%	0.831	S	S	*	*			trans	-133.4	149.2	149.8	-78.2	-169.2	177.1	-176.4	-0.7	110
33	K	32.2	Very low	31.4	Very low	213 Å²	213	149.1 Å²	149.1	93%	0.926	84%	0.841	S	S	*	*			trans	-91.9	162.6	-154.1	-149.1	175.7	-179.1	-174.3	0	111.5
34	A	29.5	Very low	31.8	Very low	102 Å²	102	146 Å²	146	84%	0.843	84%	0.839	S	S	*	*			trans	-63.2	154.9	-172	0	0	0	0	0	116.7
35	A	27.9	Very low	32.5	Very low	106 Å²	106	142 Å²	142	88%	0.876	83%	0.834	S	S	*	*			trans	-151.5	133.8	150.1	0	0	0	0	0	109.3
36	A	32.6	Very low	33.3	Very low	98 Å²	98	143.7 Å²	143.7	81%	0.81	83%	0.832	S	S	*	*			trans	-154.2	163.3	163.7	0	0	0	0	0	106.9
37	P	39.6	Very low	34.4	Very low	124 Å²	124	144 Å²	144	81%	0.805	83%	0.834	S	S	*	*			cis	-125.2	164	1.5	36.7	-20.3	0	0	0	112.9
38	D	31.4	Very low	35.7	Very low	162 Å²	162	142.4 Å²	142.4	87%	0.866	83%	0.834	S	S	*	*			trans	-134.3	124.7	156.8	-138.6	-24	0	0	0	108.8	K40	D38-K40 PolarHBondContact O-N 3.24Å
39	A	40.8	Very low	37.1	Very low	95 Å²	95	140.4 Å²	140.4	79%	0.785	82%	0.824	S	S	*	*			trans	-74.1	108.8	-173	0	0	0	0	0	109.3
40	K	39.6	Very low	39.1	Very low	200 Å²	200	141.7 Å²	141.7	87%	0.87	82%	0.821	S	S	*	*			trans	-112.2	109.5	161.3	-84.1	-175.7	177.7	177.9	0	109.5	D38 G42	D38-K40 PolarHBondContact O-N 3.24Å; K40-G42 PolarHBondContact O-N 3.12Å
41	T	33.1	Very low	41.2	Very low	145 Å²	145	135 Å²	135	89%	0.89	81%	0.807	S	S	*	*			trans	-29.4	111.8	163.8	-1.4	0	0	0	0	111.4	K43	T41-K43 PolarHBondContact O-N 2.84Å; T41-K43 VanDerWaalsContact O-N 3.12Å
42	G	31.7	Very low	43.6	Very low	70 Å²	70	130.6 Å²	130.6	72%	0.722	80%	0.797	S	S	*	*			trans	-63.4	110.6	173.5	0	0	0	0	0	109.7	K40 V44	K40-G42 PolarHBondContact O-N 3.12Å; G42-V44 PolarHBondContact O-N 3.14Å; G42-V44 VanDerWaalsContact O-N 3.14Å
43	K	33.3	Very low	46.2	Very low	205 Å²	205	121.2 Å²	121.2	89%	0.891	76%	0.763	S	S	*	*			trans	-71.8	101.2	157.3	-153.9	177.4	-171.5	-177.7	0	105.1	T41 S45	T41-K43 PolarHBondContact O-N 2.84Å; T41-K43 VanDerWaalsContact O-N 3.12Å; K43-S45 PolarHBondContact O-N 2.9Å
44	V	35	Very low	48.8	Very low	133 Å²	133	114.3 Å²	114.3	81%	0.806	74%	0.738	S	S	*	*			trans	-62	94.8	167.9	-177.6	0	0	0	0	105.4	G42 E46	G42-V44 PolarHBondContact O-N 3.14Å; G42-V44 VanDerWaalsContact O-N 3.14Å; V44-E46 PolarHBondContact O-N 3.14Å; V44-E46 VanDerWaalsContact O-N 3.14Å
45	S	42.3	Very low	51.9	Low	104 Å²	104	114 Å²	114	73%	0.727	72%	0.715	S	S	*	*			trans	-66.2	108.3	163	54.1	0	0	0	0	105.1	K43 S47	K43-S45 PolarHBondContact O-N 2.9Å; S45-S47 PolarHBondContact O-N 3.14Å
46	E	43.4	Very low	55.3	Low	184 Å²	184	109 Å²	109	86%	0.86	67%	0.674	S	S	*	*			trans	-46.5	110.6	164.2	-75.3	175.5	148.9	0	0	107.1	V44 A48	V44-E46 PolarHBondContact O-N 3.14Å; V44-E46 VanDerWaalsContact O-N 3.14Å; E46-A48 VanDerWaalsContact C-N 3.27Å; E46-A48 PolarHBondContact O-N 3.4Å
47	S	50	Low	58.4	Low	108 Å²	108	104.5 Å²	104.5	76%	0.755	64%	0.636	S	S	*	*			trans	-64	100.1	169.1	56.9	0	0	0	0	105.3	S45 G49	S45-S47 PolarHBondContact O-N 3.14Å; S47-G49 PolarHBondContact O-N 3.36Å
48	A	57.2	Low	61.2	Low	98 Å²	98	98.6 Å²	98.6	81%	0.81	60%	0.598	S	S	*	*			trans	-47.6	112.8	162.7	0	0	0	0	0	106	E46 S50	E46-A48 VanDerWaalsContact C-N 3.27Å; E46-A48 PolarHBondContact O-N 3.4Å; A48-S50 PolarHBondContact O-N 2.59Å
49	G	60.9	Low	64.4	Low	64 Å²	64	92.6 Å²	92.6	66%	0.66	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-51.6	145.1	-174.9	0	0	0	0	0	109.7	S47	S47-G49 PolarHBondContact O-N 3.36Å
50	S	67.3	Low	67.2	Low	104 Å²	104	88.9 Å²	88.9	73%	0.727	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-52.7	137	173.4	-69.3	0	0	0	0	109	A48 V52	A48-S50 PolarHBondContact O-N 2.59Å; S50-V52 PolarHBondContact O-N 2.78Å
51	P	75.6	Confident	69.9	Low	86 Å²	86	80.9 Å²	80.9	56%	0.558	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-55.7	130	-176.1	21.1	-32.4	0	0	0	110.4	F53	P51-F53 HydrophobicContact CB-CE1 4.13Å; P51-F53 HydrophobicContact CB-CE2 4.27Å; P51-F53 HydrophobicContact CB-CZ 3.82Å; P51-F53 HydrophobicContact CG-CE1 4.37Å; P51-F53 HydrophobicContact CG-CE2 3.92Å; P51-F53 HydrophobicContact CG-CZ 3.58Å
52	V	80.3	Confident	73	Confident	115 Å²	115	75.2 Å²	75.2	70%	0.697	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-85.8	117.2	176.8	-178.4	0	0	0	0	108.5	S50	S50-V52 PolarHBondContact O-N 2.78Å
53	F	85.4	Confident	76.2	Confident	30 Å²	30	75.5 Å²	75.5	13%	0.132	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-98.8	137.1	175.4	-54	-69.4	0	0	0	110.2	P51 W56 F100 Q108 P206	P51-F53 HydrophobicContact CB-CE1 4.13Å; P51-F53 HydrophobicContact CB-CE2 4.27Å; P51-F53 HydrophobicContact CB-CZ 3.82Å; P51-F53 HydrophobicContact CG-CE1 4.37Å; P51-F53 HydrophobicContact CG-CE2 3.92Å; P51-F53 HydrophobicContact CG-CZ 3.58Å; F53-W56 HydrophobicContact CB-CH2 3.76Å; F53-W56 HydrophobicContact CB-CZ2 3.92Å; F53-W56 HydrophobicContact CB-CZ3 4.23Å; F53-W56 HydrophobicContact CD2-CH2 4.13Å; F53-W56 HydrophobicContact CD2-CZ3 4.46Å; F53-W56 HydrophobicContact CG-CH2 4.33Å; F53-F100 HydrophobicContact CE2-CD1 4.4Å; F53-F100 AromaticContact CE2-CE1 3.95Å; F53-F100 HydrophobicContact CE2-CE1 3.95Å; F53-F100 HydrophobicContact CZ-CE1 4.47Å; F53-Q108 PolarHBondContact O-NE2 2.96Å; F53-P206 HydrophobicContact CB-CB 4.01Å; F53-P206 HydrophobicContact CD1-CB 3.38Å; F53-P206 HydrophobicContact CD1-CG 4.28Å; F53-P206 HydrophobicContact CD2-CB 3.74Å; F53-P206 HydrophobicContact CD2-CG 4.48Å; F53-P206 HydrophobicContact CE1-CB 3.62Å; F53-P206 HydrophobicContact CE1-CG 4.01Å; F53-P206 HydrophobicContact CE2-CB 3.98Å; F53-P206 HydrophobicContact CE2-CG 4.25Å; F53-P206 HydrophobicContact CG-CB 3.41Å; F53-P206 VanDerWaalsContact CG-CB 3.41Å; F53-P206 HydrophobicContact CG-CG 4.48Å; F53-P206 HydrophobicContact CZ-CB 3.91Å; F53-P206 HydrophobicContact CZ-CG 3.99Å
54	T	87.9	Confident	79.2	Confident	67 Å²	67	69.1 Å²	69.1	41%	0.411	43%	0.428	S	S	.	.			trans	-116	-11	-178.6	55.7	0	0	0	0	113.3
55	R	94.9	Very high	82	Confident	95 Å²	95	66.2 Å²	66.2	36%	0.358	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150	-177.2	-66.2	-179.2	178.5	-159	-3.9	110.7	Q109 L207 L211	R55-Q109 WeakPolarHBondContact CA-O 3Å; R55-L207 HydrophobicContact CB-CB 4.06Å; R55-L207 HydrophobicContact CB-CD1 4.34Å; R55-L207 PolarHBondContact O-N 3.33Å; R55-L211 VanDerWaalsContact CD-O 3.23Å; R55-L211 WeakPolarHBondContact CD-O 3Å; R55-L211 VanDerWaalsContact CZ-O 3.25Å; R55-L211 PolarHBondContact NE-O 2.87Å; R55-L211 PolarHBondContact NH1-O 2.9Å; R55-L211 PolarHBondContact NH1-OXT 2.91Å
56	W	97.9	Very high	84.5	Confident	1 Å²	1	67.6 Å²	67.6	0%	0.004	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163.2	-171.9	-50.6	93.9	0	0	0	112.7	F53 L58 F100 Q103 M104 Q109 A110 F111 Q205 P206	F53-W56 HydrophobicContact CB-CH2 3.76Å; F53-W56 HydrophobicContact CB-CZ2 3.92Å; F53-W56 HydrophobicContact CB-CZ3 4.23Å; F53-W56 HydrophobicContact CD2-CH2 4.13Å; F53-W56 HydrophobicContact CD2-CZ3 4.46Å; F53-W56 HydrophobicContact CG-CH2 4.33Å; W56-L58 HydrophobicContact CB-CD1 3.76Å; W56-F100 HydrophobicContact CE3-CB 4.43Å; W56-F100 WeakPolarHBondContact CH2-O 3.41Å; W56-F100 HydrophobicContact CZ3-CB 3.73Å; W56-F100 HydrophobicContact CZ3-CD1 4.03Å; W56-F100 HydrophobicContact CZ3-CG 4.17Å; W56-Q103 HydrophobicContact CH2-CB 3.87Å; W56-Q103 HydrophobicContact CZ2-CB 4.32Å; W56-M104 HydrophobicContact CB-CE 3.98Å; W56-M104 HydrophobicContact CD2-CE 3.62Å; W56-M104 HydrophobicContact CD2-CG 3.86Å; W56-M104 VanDerWaalsContact CE2-CG 3.46Å; W56-M104 HydrophobicContact CE3-CE 3.81Å; W56-M104 HydrophobicContact CE3-CG 4.44Å; W56-M104 HydrophobicContact CG-CE 3.68Å; W56-M104 HydrophobicContact CG-CG 4.24Å; W56-M104 HydrophobicContact CH2-CG 4.35Å; W56-M104 HydrophobicContact CZ2-CB 4.42Å; W56-M104 HydrophobicContact CZ2-CG 3.74Å; W56-Q109 PolarHBondContact N-O 3.5Å; W56-Q109 VanDerWaalsContact N-O 3.07Å; W56-A110 HydrophobicContact CB-CB 3.86Å; W56-A110 CarbonylContact O-C 3.56Å; W56-A110 VanDerWaalsContact O-CA 3.23Å; W56-A110 WeakPolarHBondContact O-CA 3.34Å; W56-F111 PolarHBondContact O-N 3.1Å; W56-Q205 CarbonylContact C-O 3.54Å; W56-Q205 WeakPolarHBondContact CA-O 3.45Å; W56-P206 HydrophobicContact CE3-CB 4.13Å; W56-P206 HydrophobicContact CZ3-CB 3.82Å
57	L	98.4	Very high	86.8	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.3	164.4	178.2	155	0	0	0	108.1	K59 F111 Y113 I122 L196 Q205 L207	L57-K59 HydrophobicContact CD2-CG 3.82Å; L57-F111 HydrophobicContact CB-CB 4.47Å; L57-F111 HydrophobicContact CG-CB 4.41Å; L57-Y113 HydrophobicContact CD1-CD2 4.03Å; L57-Y113 HydrophobicContact CD1-CG 4.42Å; L57-Y113 HydrophobicContact CD2-CD2 4.44Å; L57-Y113 HydrophobicContact CD2-CG 4.09Å; L57-Y113 HydrophobicContact CG-CG 4.48Å; L57-I122 HydrophobicContact CD1-CD1 4.49Å; L57-I122 HydrophobicContact CD1-CG1 4.5Å; L57-L196 HydrophobicContact CD1-CD2 4.48Å; L57-Q205 HydrophobicContact CB-CB 4.33Å; L57-Q205 HydrophobicContact CD2-CG 4.37Å; L57-Q205 PolarHBondContact N-O 3.45Å; L57-Q205 PolarHBondContact O-N 3.47Å; L57-L207 HydrophobicContact CB-CD1 4.49Å; L57-L207 HydrophobicContact CB-CD2 4.44Å
58	L	98.8	Very high	88.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.5	177.6	-69.9	75.7	0	0	0	109	W56 W89 M104 A110 F111 Y113 M126 S203 V204	W56-L58 HydrophobicContact CB-CD1 3.76Å; L58-W89 HydrophobicContact CB-CD2 4.46Å; L58-W89 HydrophobicContact CB-CH2 4.25Å; L58-W89 HydrophobicContact CB-CZ2 3.54Å; L58-W89 HydrophobicContact CD2-CB 4.47Å; L58-W89 HydrophobicContact CD2-CD2 3.7Å; L58-W89 HydrophobicContact CD2-CE3 4.46Å; L58-W89 HydrophobicContact CD2-CG 3.67Å; L58-W89 HydrophobicContact CD2-CZ2 4.33Å; L58-M104 HydrophobicContact CD1-CE 3.74Å; L58-M104 HydrophobicContact CD2-CE 4.28Å; L58-M104 HydrophobicContact CG-CE 4.3Å; L58-A110 HydrophobicContact CD1-CB 3.5Å; L58-A110 VanDerWaalsContact CD1-CB 3.5Å; L58-F111 PolarHBondContact N-O 3.03Å; L58-Y113 WeakPolarHBondContact O-CB 3.36Å; L58-Y113 PolarHBondContact O-N 2.9Å; L58-M126 HydrophobicContact CB-CE 3.59Å; L58-M126 HydrophobicContact CD1-CE 3.81Å; L58-M126 HydrophobicContact CD2-CE 3.76Å; L58-M126 HydrophobicContact CG-CE 3.92Å; L58-S203 WeakPolarHBondContact CA-O 3.05Å; L58-V204 HydrophobicContact CG-CG1 4.29Å; L58-V204 HydrophobicContact CG-CG2 4.23Å
59	K	98.7	Very high	90.4	Very high	35 Å²	35	62.3 Å²	62.3	15%	0.152	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.4	-177.8	-56.5	-173.6	-175.7	173.7	0	111	L57 Y113 L202 S203	L57-K59 HydrophobicContact CD2-CG 3.82Å; K59-Y113 CarbonylContact C-O 3.3Å; K59-Y113 WeakPolarHBondContact CA-O 3.47Å; K59-Y113 HydrophobicContact CB-CD1 4.19Å; K59-Y113 HydrophobicContact CD-CD1 4.13Å; K59-Y113 HydrophobicContact CD-CE1 4.4Å; K59-Y113 HydrophobicContact CG-CD1 3.69Å; K59-Y113 HydrophobicContact CG-CE1 4.44Å; K59-Y113 HydrophobicContact CG-CG 4.25Å; K59-L202 WeakPolarHBondContact CE-O 3.37Å; K59-L202 PolarHBondContact NZ-O 2.69Å; K59-S203 PolarHBondContact N-O 3.24Å
60	S	98.4	Very high	91.9	Very high	18 Å²	18	62.3 Å²	62.3	13%	0.126	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	158.8	171.1	-166	0	0	0	0	110.5	F74 Y113 H114 S115	S60-F74 VanDerWaalsContact CB-O 3.28Å; S60-F74 WeakPolarHBondContact CB-O 3.45Å; S60-F74 PolarHBondContact OG-O 3.15Å; S60-Y113 PolarHBondContact N-O 2.99Å; S60-H114 WeakPolarHBondContact O-CA 3.11Å; S60-S115 PolarHBondContact O-N 2.89Å; S60-S115 PolarHBondContact O-OG 3.06Å
61	E	97.9	Very high	93.2	Very high	32 Å²	32	60.3 Å²	60.3	15%	0.15	33%	0.333	C	S	.	.			trans	-100.2	114.9	-174	-59.8	-172.3	-139.2	0	0	111.1	R65 K73 F74 S115 N116	E61-R65 IonicContact OE1-CZ 3.49Å; E61-R65 IonicContact OE1-NE 3.28Å; E61-R65 PolarHBondContact OE1-NE 3.34Å; E61-R65 IonicContact OE1-NH2 3.4Å; E61-R65 PolarHBondContact OE1-NH2 3.35Å; E61-R65 WeakPolarHBondContact OE2-CD 3.07Å; E61-R65 IonicContact OE2-CZ 3.35Å; E61-R65 IonicContact OE2-NE 3.4Å; E61-R65 PolarHBondContact OE2-NE 3.27Å; E61-R65 IonicContact OE2-NH2 3.4Å; E61-K73 CarbonylContact O-C 3.52Å; E61-K73 WeakPolarHBondContact O-CA 3.46Å; E61-F74 CarbonylContact O-C 3.49Å; E61-F74 VanDerWaalsContact O-C 3.3Å; E61-F74 PolarHBondContact O-N 3.46Å; E61-S115 WeakPolarHBondContact CA-O 3.42Å; E61-N116 HydrophobicContact CG-CB 4.03Å; E61-N116 WeakPolarHBondContact OE2-CB 3.48Å; E61-N116 PolarHBondContact OE2-ND2 2.54Å
62	P	98	Very high	94.2	Very high	25 Å²	25	57.7 Å²	57.7	16%	0.162	32%	0.315	C	S	.	.			trans	-83.5	-15.1	-177.2	35.5	-39.3	0	0	0	113.9	K73 H114 S115 C117	P62-K73 VanDerWaalsContact O-CE 3.23Å; P62-K73 WeakPolarHBondContact O-CE 3.32Å; P62-K73 WeakPolarHBondContact O-CG 3.33Å; P62-H114 HydrophobicContact CG-CB 3.81Å; P62-S115 WeakPolarHBondContact CD-O 3.27Å; P62-C117 HydrophobicContact CG-CB 3.6Å
63	E	97.8	Very high	95.1	Very high	77 Å²	77	56.8 Å²	56.8	36%	0.36	30%	0.302	S	S	.	.	S	Bend	trans	-102.4	153.9	-178.9	-69.6	178.8	-156.9	0	0	110.5	R65 C117 K118	E63-R65 PolarHBondContact O-N 3.06Å; E63-C117 HydrophobicContact CB-CB 4.39Å; E63-C117 HydrophobicContact CG-CB 3.85Å; E63-C117 WeakPolarHBondContact OE1-CB 3.37Å; E63-K118 PolarHBondContact OE1-N 3.26Å
64	S	96.4	Very high	95.7	Very high	71 Å²	71	57.5 Å²	57.5	50%	0.497	31%	0.305	S	S	.	.			trans	-64.5	128.8	-179.7	-173.8	0	0	0	0	111.2	F66 D71	S64-F66 WeakPolarHBondContact OG-CE2 3.37Å; S64-D71 WeakPolarHBondContact CA-OD1 3.43Å; S64-D71 WeakPolarHBondContact CB-OD2 3.41Å; S64-D71 VanDerWaalsContact OG-CG 3.24Å; S64-D71 PolarHBondContact OG-OD1 2.91Å; S64-D71 PolarHBondContact OG-OD2 3.36Å
65	R	95.3	Very high	96.2	Very high	72 Å²	72	54.5 Å²	54.5	27%	0.272	29%	0.287	S	S	.	.			trans	-150.9	129.8	173.1	-174.4	178.3	67.8	85.5	-2.6	109.3	E61 E63 E67 D71 V72 N116	E61-R65 IonicContact OE1-CZ 3.49Å; E61-R65 IonicContact OE1-NE 3.28Å; E61-R65 PolarHBondContact OE1-NE 3.34Å; E61-R65 IonicContact OE1-NH2 3.4Å; E61-R65 PolarHBondContact OE1-NH2 3.35Å; E61-R65 WeakPolarHBondContact OE2-CD 3.07Å; E61-R65 IonicContact OE2-CZ 3.35Å; E61-R65 IonicContact OE2-NE 3.4Å; E61-R65 PolarHBondContact OE2-NE 3.27Å; E61-R65 IonicContact OE2-NH2 3.4Å; E63-R65 PolarHBondContact O-N 3.06Å; R65-E67 IonicContact CZ-OE1 2.7Å; R65-E67 VanDerWaalsContact NH1-CD 3.34Å; R65-E67 IonicContact NH1-OE1 2.68Å; R65-E67 PolarHBondContact NH1-OE1 2.96Å; R65-E67 IonicContact NH2-OE1 3.33Å; R65-E67 PolarHBondContact NH2-OE1 3.15Å; R65-D71 PolarHBondContact N-OD1 3.44Å; R65-D71 WeakPolarHBondContact O-CA 3.32Å; R65-D71 VanDerWaalsContact O-OD1 3.14Å; R65-V72 HydrophobicContact CB-CG2 4.35Å; R65-V72 WeakPolarHBondContact O-CG2 3.24Å; R65-V72 PolarHBondContact O-N 3.33Å; R65-N116 WeakPolarHBondContact CD-ND2 3.45Å; R65-N116 PolarHBondContact NE-ND2 3.12Å
66	F	93.8	Very high	96.3	Very high	133 Å²	133	50.1 Å²	50.1	58%	0.583	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.4	-179	-67.3	-95.2	0	0	0	111.4	S64 V70 D71	S64-F66 WeakPolarHBondContact OG-CE2 3.37Å; F66-V70 CarbonylContact C-O 3.56Å; F66-V70 VanDerWaalsContact CA-O 3.26Å; F66-V70 WeakPolarHBondContact CA-O 3.41Å; F66-D71 HydrophobicContact CD1-CB 4.16Å; F66-D71 HydrophobicContact CE1-CB 3.79Å; F66-D71 HydrophobicContact CZ-CB 4.01Å
67	E	91.3	Very high	96.4	Very high	60 Å²	60	54.8 Å²	54.8	28%	0.28	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.6	163.3	-68.5	-163.4	167.7	0	0	108.4	R65 G69 V70 V72 V144	R65-E67 IonicContact CZ-OE1 2.7Å; R65-E67 VanDerWaalsContact NH1-CD 3.34Å; R65-E67 IonicContact NH1-OE1 2.68Å; R65-E67 PolarHBondContact NH1-OE1 2.96Å; R65-E67 IonicContact NH2-OE1 3.33Å; R65-E67 PolarHBondContact NH2-OE1 3.15Å; E67-G69 PolarHBondContact O-N 3.29Å; E67-V70 PolarHBondContact N-O 2.87Å; E67-V70 PolarHBondContact O-N 3Å; E67-V72 HydrophobicContact CB-CG1 4.09Å; E67-V72 HydrophobicContact CG-CG1 4.1Å; E67-V72 HydrophobicContact CG-CG2 4.46Å; E67-V144 HydrophobicContact CB-CB 4.14Å; E67-V144 HydrophobicContact CB-CG1 4Å; E67-V144 WeakPolarHBondContact O-CG1 3.44Å
68	N	90.2	Very high	96.4	Very high	151 Å²	151	57.2 Å²	57.2	81%	0.807	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	30.9	178.7	-58.4	-29.5	0	0	0	114.6	V144	N68-V144 HydrophobicContact CB-CG1 4.38Å
69	G	92.1	Very high	96.4	Very high	68 Å²	68	57.2 Å²	57.2	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	5.1	-180	0	0	0	0	0	115.9	E67	E67-G69 PolarHBondContact O-N 3.29Å
70	V	93.1	Very high	96.4	Very high	64 Å²	64	58.3 Å²	58.3	39%	0.388	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.3	174.5	-176.5	0	0	0	0	109.2	F66 E67 V144	F66-V70 CarbonylContact C-O 3.56Å; F66-V70 VanDerWaalsContact CA-O 3.26Å; F66-V70 WeakPolarHBondContact CA-O 3.41Å; E67-V70 PolarHBondContact N-O 2.87Å; E67-V70 PolarHBondContact O-N 3Å; V70-V144 HydrophobicContact CB-CG1 3.43Å; V70-V144 VanDerWaalsContact CB-CG1 3.43Å; V70-V144 HydrophobicContact CG1-CG1 4.18Å; V70-V144 HydrophobicContact CG2-CG1 3.64Å
71	D	95.9	Very high	96.4	Very high	61 Å²	61	61.6 Å²	61.6	33%	0.326	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	123.9	173.8	-165.4	-3.3	0	0	0	109.7	S64 R65 F66 K73	S64-D71 WeakPolarHBondContact CA-OD1 3.43Å; S64-D71 WeakPolarHBondContact CB-OD2 3.41Å; S64-D71 VanDerWaalsContact OG-CG 3.24Å; S64-D71 PolarHBondContact OG-OD1 2.91Å; S64-D71 PolarHBondContact OG-OD2 3.36Å; R65-D71 PolarHBondContact N-OD1 3.44Å; R65-D71 WeakPolarHBondContact O-CA 3.32Å; R65-D71 VanDerWaalsContact O-OD1 3.14Å; F66-D71 HydrophobicContact CD1-CB 4.16Å; F66-D71 HydrophobicContact CE1-CB 3.79Å; F66-D71 HydrophobicContact CZ-CB 4.01Å; D71-K73 VanDerWaalsContact C-N 3.34Å; D71-K73 WeakPolarHBondContact OD1-CB 3.07Å; D71-K73 PolarHBondContact OD1-N 2.94Å; D71-K73 VanDerWaalsContact OD1-N 3.15Å
72	V	96	Very high	96.4	Very high	31 Å²	31	63 Å²	63	19%	0.188	35%	0.347	C	S	.	.			trans	-95.4	11.4	179.1	-59.6	0	0	0	0	113	R65 E67 F74 V144	R65-V72 HydrophobicContact CB-CG2 4.35Å; R65-V72 WeakPolarHBondContact O-CG2 3.24Å; R65-V72 PolarHBondContact O-N 3.33Å; E67-V72 HydrophobicContact CB-CG1 4.09Å; E67-V72 HydrophobicContact CG-CG1 4.1Å; E67-V72 HydrophobicContact CG-CG2 4.46Å; V72-F74 PolarHBondContact O-N 3.46Å; V72-V144 HydrophobicContact CG1-CG2 3.96Å
73	K	97.8	Very high	96.5	Very high	96 Å²	96	66.9 Å²	66.9	42%	0.417	37%	0.373	S	S	.	.			trans	-56.2	121.8	176.2	-177.2	-169.9	166.6	-160.1	0	111.6	E61 P62 D71	E61-K73 CarbonylContact O-C 3.52Å; E61-K73 WeakPolarHBondContact O-CA 3.46Å; P62-K73 VanDerWaalsContact O-CE 3.23Å; P62-K73 WeakPolarHBondContact O-CE 3.32Å; P62-K73 WeakPolarHBondContact O-CG 3.33Å; D71-K73 VanDerWaalsContact C-N 3.34Å; D71-K73 WeakPolarHBondContact OD1-CB 3.07Å; D71-K73 PolarHBondContact OD1-N 2.94Å; D71-K73 VanDerWaalsContact OD1-N 3.15Å
74	F	98.4	Very high	96.5	Very high	45 Å²	45	69.5 Å²	69.5	20%	0.197	39%	0.389	C	S	.	.			trans	-151.3	96.5	168	-169.7	-107.7	0	0	0	110.7	S60 E61 V72 D78 L79 L82 W89 F112	S60-F74 VanDerWaalsContact CB-O 3.28Å; S60-F74 WeakPolarHBondContact CB-O 3.45Å; S60-F74 PolarHBondContact OG-O 3.15Å; E61-F74 CarbonylContact O-C 3.49Å; E61-F74 VanDerWaalsContact O-C 3.3Å; E61-F74 PolarHBondContact O-N 3.46Å; V72-F74 PolarHBondContact O-N 3.46Å; F74-D78 HydrophobicContact CD2-CB 3.92Å; F74-D78 HydrophobicContact CE2-CB 4.02Å; F74-L79 HydrophobicContact CE1-CB 4.16Å; F74-L79 HydrophobicContact CZ-CB 3.83Å; F74-L79 HydrophobicContact CZ-CD1 4.15Å; F74-L82 HydrophobicContact CE2-CD1 4Å; F74-L82 HydrophobicContact CZ-CD1 4.04Å; F74-W89 HydrophobicContact CE1-CZ3 4.25Å; F74-F112 HydrophobicContact CD1-CE2 4.33Å; F74-F112 HydrophobicContact CD1-CZ 4.09Å; F74-F112 HydrophobicContact CE1-CE2 4.08Å; F74-F112 HydrophobicContact CE1-CZ 4.28Å
75	G	98.4	Very high	96.6	Very high	4 Å²	4	69.7 Å²	69.7	4%	0.041	38%	0.382	C	S	.	.			trans	-89.6	174.2	174.5	0	0	0	0	0	113.1	E77 D78 L79 F112	G75-E77 VanDerWaalsContact C-N 3.26Å; G75-E77 PolarHBondContact O-N 2.97Å; G75-D78 WeakPolarHBondContact CA-OD2 3.45Å; G75-D78 PolarHBondContact N-OD2 3.37Å; G75-D78 WeakPolarHBondContact O-CB 2.93Å; G75-D78 PolarHBondContact O-N 2.99Å; G75-L79 PolarHBondContact O-N 3.24Å; G75-F112 VanDerWaalsContact C-CZ 3.46Å
76	I	98.6	Very high	96.7	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-69.1	-29.4	180	-163.3	171.9	0	0	0	112	D78 L79 K80 F112 H114 A123 G124 F164 M167	I76-D78 VanDerWaalsContact C-N 3.32Å; I76-L79 PolarHBondContact O-N 2.94Å; I76-K80 WeakPolarHBondContact O-CG 3.18Å; I76-K80 PolarHBondContact O-N 2.7Å; I76-F112 HydrophobicContact CB-CD1 3.98Å; I76-F112 HydrophobicContact CB-CD2 4.27Å; I76-F112 HydrophobicContact CB-CE1 4.13Å; I76-F112 HydrophobicContact CB-CE2 4.38Å; I76-F112 HydrophobicContact CB-CG 4.09Å; I76-F112 HydrophobicContact CB-CZ 4.32Å; I76-F112 HydrophobicContact CD1-CB 3.94Å; I76-F112 HydrophobicContact CD1-CG 4.16Å; I76-F112 HydrophobicContact CG1-CB 4.34Å; I76-F112 HydrophobicContact CG1-CD1 4.44Å; I76-F112 HydrophobicContact CG1-CD2 4.05Å; I76-F112 HydrophobicContact CG1-CE2 4.48Å; I76-F112 HydrophobicContact CG1-CG 4.03Å; I76-H114 PolarHBondContact N-NE2 3.13Å; I76-A123 HydrophobicContact CB-CB 4.3Å; I76-A123 HydrophobicContact CD1-CB 4.17Å; I76-A123 HydrophobicContact CG2-CB 3.86Å; I76-G124 VanDerWaalsContact CD1-CA 3.46Å; I76-F164 HydrophobicContact CD1-CD2 4.28Å; I76-F164 HydrophobicContact CD1-CE2 4.13Å; I76-F164 HydrophobicContact CG1-CD2 4.17Å; I76-F164 HydrophobicContact CG1-CE2 4.29Å; I76-M167 HydrophobicContact CD1-SD 3.84Å; I76-M167 HydrophobicContact CG1-SD 4.33Å; I76-M167 HydrophobicContact CG2-CE 3.87Å; I76-M167 HydrophobicContact CG2-SD 4Å
77	E	98.5	Very high	97	Very high	98 Å²	98	62.9 Å²	62.9	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-69.3	-32.7	174.9	-63.5	-58.8	142.3	0	0	111.4	G75 K80 A81	G75-E77 VanDerWaalsContact C-N 3.26Å; G75-E77 PolarHBondContact O-N 2.97Å; E77-K80 PolarHBondContact O-N 3.26Å; E77-K80 IonicContact OE1-NZ 2.7Å; E77-K80 PolarHBondContact OE1-NZ 3.27Å; E77-K80 WeakPolarHBondContact OE2-CE 3.44Å; E77-K80 IonicContact OE2-NZ 3.89Å; E77-K80 PolarHBondContact OE2-NZ 3.22Å; E77-A81 WeakPolarHBondContact O-CB 3.37Å; E77-A81 PolarHBondContact O-N 3.41Å; E77-A81 VanDerWaalsContact O-N 3.13Å
78	D	98.6	Very high	97.3	Very high	56 Å²	56	61.6 Å²	61.6	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-44.2	173	-56.4	-56.9	0	0	0	110.1	F74 G75 I76 K80 A81 L82	F74-D78 HydrophobicContact CD2-CB 3.92Å; F74-D78 HydrophobicContact CE2-CB 4.02Å; G75-D78 WeakPolarHBondContact CA-OD2 3.45Å; G75-D78 PolarHBondContact N-OD2 3.37Å; G75-D78 WeakPolarHBondContact O-CB 2.93Å; G75-D78 PolarHBondContact O-N 2.99Å; I76-D78 VanDerWaalsContact C-N 3.32Å; D78-K80 PolarHBondContact O-N 3.39Å; D78-A81 PolarHBondContact O-N 2.84Å; D78-L82 PolarHBondContact O-N 2.56Å
79	L	98.8	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-43.4	173.2	177.9	64	0	0	0	112.5	F74 G75 I76 A81 L82 Q85 F112 M126 V162 F164	F74-L79 HydrophobicContact CE1-CB 4.16Å; F74-L79 HydrophobicContact CZ-CB 3.83Å; F74-L79 HydrophobicContact CZ-CD1 4.15Å; G75-L79 PolarHBondContact O-N 3.24Å; I76-L79 PolarHBondContact O-N 2.94Å; L79-A81 PolarHBondContact O-N 2.79Å; L79-L82 HydrophobicContact CD1-CD1 4.39Å; L79-L82 PolarHBondContact O-N 2.96Å; L79-Q85 WeakPolarHBondContact CD1-O 3.45Å; L79-Q85 CarbonylContact O-C 3.15Å; L79-Q85 WeakPolarHBondContact O-CA 3.45Å; L79-F112 HydrophobicContact CB-CE2 4.26Å; L79-F112 HydrophobicContact CD2-CD2 3.97Å; L79-F112 HydrophobicContact CD2-CE2 4.01Å; L79-M126 HydrophobicContact CD2-CB 4.48Å; L79-M126 HydrophobicContact CD2-SD 4.42Å; L79-V162 HydrophobicContact CD1-CG2 4.35Å; L79-V162 HydrophobicContact CD2-CG2 4.33Å; L79-F164 HydrophobicContact CD2-CB 4.09Å; L79-F164 HydrophobicContact CG-CB 4.14Å
80	K	98.5	Very high	98	Very high	59 Å²	59	54.6 Å²	54.6	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-28.4	178.8	-75.1	166.2	68.2	-159.8	0	113.3	I76 E77 D78 Q85 F164 M167	I76-K80 WeakPolarHBondContact O-CG 3.18Å; I76-K80 PolarHBondContact O-N 2.7Å; E77-K80 PolarHBondContact O-N 3.26Å; E77-K80 IonicContact OE1-NZ 2.7Å; E77-K80 PolarHBondContact OE1-NZ 3.27Å; E77-K80 WeakPolarHBondContact OE2-CE 3.44Å; E77-K80 IonicContact OE2-NZ 3.89Å; E77-K80 PolarHBondContact OE2-NZ 3.22Å; D78-K80 PolarHBondContact O-N 3.39Å; K80-Q85 PolarHBondContact O-NE2 2.9Å; K80-F164 HydrophobicContact CD-CD2 4.03Å; K80-F164 HydrophobicContact CD-CE1 4.28Å; K80-F164 HydrophobicContact CD-CE2 3.55Å; K80-F164 HydrophobicContact CD-CZ 3.66Å; K80-F164 HydrophobicContact CG-CB 4.39Å; K80-F164 HydrophobicContact CG-CD1 3.88Å; K80-F164 HydrophobicContact CG-CD2 3.45Å; K80-F164 VanDerWaalsContact CG-CD2 3.45Å; K80-F164 HydrophobicContact CG-CE1 3.91Å; K80-F164 HydrophobicContact CG-CE2 3.5Å; K80-F164 VanDerWaalsContact CG-CE2 3.5Å; K80-F164 HydrophobicContact CG-CG 3.63Å; K80-F164 HydrophobicContact CG-CZ 3.71Å; K80-M167 HydrophobicContact CD-SD 3.97Å
81	A	98.6	Very high	98.2	Very high	86 Å²	86	52.2 Å²	52.2	71%	0.711	29%	0.291	S	S	*	.	H	α-helix	trans	-85.3	-12.3	-178.1	0	0	0	0	0	113.4	E77 D78 L79	E77-A81 WeakPolarHBondContact O-CB 3.37Å; E77-A81 PolarHBondContact O-N 3.41Å; E77-A81 VanDerWaalsContact O-N 3.13Å; D78-A81 PolarHBondContact O-N 2.84Å; L79-A81 PolarHBondContact O-N 2.79Å
82	L	98.6	Very high	98.4	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.325	28%	0.278	S	S	.	.	S	Bend	trans	-71.5	156.1	177.3	-71.2	174.3	0	0	0	112.3	F74 D78 L79 D84 Q85	F74-L82 HydrophobicContact CE2-CD1 4Å; F74-L82 HydrophobicContact CZ-CD1 4.04Å; D78-L82 PolarHBondContact O-N 2.56Å; L79-L82 HydrophobicContact CD1-CD1 4.39Å; L79-L82 PolarHBondContact O-N 2.96Å; L82-D84 PolarHBondContact O-N 2.7Å; L82-Q85 WeakPolarHBondContact O-CA 3.36Å; L82-Q85 PolarHBondContact O-N 2.88Å
83	P	98.6	Very high	98.5	Very high	107 Å²	107	51.2 Å²	51.2	70%	0.695	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-51.9	134.8	168.6	-25.2	35.1	0	0	0	111.4	Q85 T86	P83-Q85 PolarHBondContact O-N 2.99Å; P83-T86 PolarHBondContact O-N 3.46Å; P83-T86 VanDerWaalsContact O-N 3.12Å
84	D	98.3	Very high	98.5	Very high	132 Å²	132	49.2 Å²	49.2	71%	0.706	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	51.7	17.8	-174.6	-55.8	-40.4	0	0	0	114.4	L82 T86 Q163	L82-D84 PolarHBondContact O-N 2.7Å; D84-T86 PolarHBondContact O-N 2.96Å; D84-T86 VanDerWaalsContact O-N 3.13Å; D84-T86 PolarHBondContact O-OG1 2.56Å; D84-Q163 WeakPolarHBondContact O-CG 3.23Å; D84-Q163 PolarHBondContact O-NE2 3.38Å
85	Q	98.7	Very high	98.5	Very high	75 Å²	75	53 Å²	53	35%	0.35	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	48.8	36.2	-173.9	-41.8	-172.4	-69.7	0	0	112.6	L79 K80 L82 P83 Q163 F164	L79-Q85 WeakPolarHBondContact CD1-O 3.45Å; L79-Q85 CarbonylContact O-C 3.15Å; L79-Q85 WeakPolarHBondContact O-CA 3.45Å; K80-Q85 PolarHBondContact O-NE2 2.9Å; L82-Q85 WeakPolarHBondContact O-CA 3.36Å; L82-Q85 PolarHBondContact O-N 2.88Å; P83-Q85 PolarHBondContact O-N 2.99Å; Q85-Q163 WeakPolarHBondContact O-CA 3.44Å; Q85-F164 HydrophobicContact CB-CB 3.72Å; Q85-F164 PolarHBondContact O-N 2.85Å
86	T	98.8	Very high	98.4	Very high	39 Å²	39	56.9 Å²	56.9	24%	0.239	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.9	-170.4	-62.6	0	0	0	0	111	P83 D84 V129 D161 V162 Q163	P83-T86 PolarHBondContact O-N 3.46Å; P83-T86 VanDerWaalsContact O-N 3.12Å; D84-T86 PolarHBondContact O-N 2.96Å; D84-T86 VanDerWaalsContact O-N 3.13Å; D84-T86 PolarHBondContact O-OG1 2.56Å; T86-V129 HydrophobicContact CG2-CG2 3.88Å; T86-D161 HydrophobicContact CG2-CB 4.35Å; T86-V162 VanDerWaalsContact CA-O 3.27Å; T86-V162 WeakPolarHBondContact CA-O 3.41Å; T86-Q163 WeakPolarHBondContact OG1-CG 3.47Å
87	S	98.6	Very high	98.4	Very high	22 Å²	22	56.7 Å²	56.7	15%	0.154	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.2	174.3	-166.5	0	0	0	0	111.1	D161 V162	S87-D161 WeakPolarHBondContact O-CA 3.34Å; S87-V162 PolarHBondContact N-O 2.84Å; S87-V162 PolarHBondContact O-N 2.67Å
88	C	98.4	Very high	98.4	Very high	34 Å²	34	53.7 Å²	53.7	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	143.9	157.7	58.2	0	0	0	0	109.9	Y133 M159 V160 D161	C88-Y133 WeakPolarHBondContact CB-OH 3.4Å; C88-M159 HydrophobicContact CB-CE 4.21Å; C88-M159 HydrophobicContact CB-SD 3.86Å; C88-V160 CarbonylContact C-O 3.59Å; C88-V160 WeakPolarHBondContact CA-O 3.31Å; C88-D161 WeakPolarHBondContact CA-OD1 3.42Å; C88-D161 WeakPolarHBondContact CB-OD1 3.25Å
89	W	98.8	Very high	98.4	Very high	16 Å²	16	54.3 Å²	54.3	6%	0.061	29%	0.292	C	S	.	.			trans	-103.8	71.7	175.7	-155.3	-78.9	0	0	0	110.2	L58 F74 F112 M126 M159 V160 V162	L58-W89 HydrophobicContact CB-CD2 4.46Å; L58-W89 HydrophobicContact CB-CH2 4.25Å; L58-W89 HydrophobicContact CB-CZ2 3.54Å; L58-W89 HydrophobicContact CD2-CB 4.47Å; L58-W89 HydrophobicContact CD2-CD2 3.7Å; L58-W89 HydrophobicContact CD2-CE3 4.46Å; L58-W89 HydrophobicContact CD2-CG 3.67Å; L58-W89 HydrophobicContact CD2-CZ2 4.33Å; F74-W89 HydrophobicContact CE1-CZ3 4.25Å; W89-F112 AromaticContact CH2-CD2 3.71Å; W89-F112 HydrophobicContact CH2-CD2 3.71Å; W89-F112 HydrophobicContact CH2-CE1 4.46Å; W89-F112 AromaticContact CH2-CE2 3.49Å; W89-F112 HydrophobicContact CH2-CE2 3.49Å; W89-F112 VanDerWaalsContact CH2-CE2 3.49Å; W89-F112 HydrophobicContact CH2-CG 4.31Å; W89-F112 AromaticContact CH2-CZ 3.89Å; W89-F112 HydrophobicContact CH2-CZ 3.89Å; W89-F112 AromaticContact CZ3-CD2 3.86Å; W89-F112 HydrophobicContact CZ3-CD2 3.86Å; W89-F112 AromaticContact CZ3-CE2 3.58Å; W89-F112 HydrophobicContact CZ3-CE2 3.58Å; W89-F112 HydrophobicContact CZ3-CZ 4.33Å; W89-M126 HydrophobicContact CE3-CE 4.1Å; W89-M126 HydrophobicContact CE3-SD 4.23Å; W89-M126 HydrophobicContact CH2-CE 3.84Å; W89-M126 HydrophobicContact CH2-SD 4.14Å; W89-M126 HydrophobicContact CZ2-CE 4.33Å; W89-M126 HydrophobicContact CZ3-CE 3.73Å; W89-M126 HydrophobicContact CZ3-SD 3.63Å; W89-M159 VanDerWaalsContact O-CB 3.23Å; W89-M159 WeakPolarHBondContact O-CB 3.46Å; W89-V160 HydrophobicContact CB-CG2 4Å; W89-V160 PolarHBondContact N-O 2.91Å; W89-V162 HydrophobicContact CB-CG1 4.45Å; W89-V162 HydrophobicContact CE3-CG1 4.23Å; W89-V162 HydrophobicContact CE3-CG2 3.51Å; W89-V162 HydrophobicContact CZ3-CG2 3.91Å
90	D	98.4	Very high	98.3	Very high	56 Å²	56	55.5 Å²	55.5	30%	0.299	30%	0.297	S	S	.	.			trans	-81.8	-173.2	-174	73.2	-73.8	0	0	0	112.8	V92 T137 M159	D90-V92 PolarHBondContact O-N 3.44Å; D90-T137 HydrophobicContact CB-CG2 4.06Å; D90-T137 WeakPolarHBondContact OD2-CG2 3.36Å; D90-M159 HydrophobicContact CB-SD 3.58Å; D90-M159 VanDerWaalsContact CB-SD 3.58Å
91	G	97.8	Very high	98.3	Very high	14 Å²	14	52.7 Å²	52.7	14%	0.144	29%	0.285	C	S	.	.			trans	76.7	-1	166.7	0	0	0	0	0	116	R93 D135 H145	G91-R93 PolarHBondContact O-N 3.06Å; G91-R93 VanDerWaalsContact O-N 3.16Å; G91-D135 PolarHBondContact N-OD2 3Å; G91-H145 WeakPolarHBondContact CA-CD2 3.25Å; G91-H145 VanDerWaalsContact CA-CG 3.47Å
92	V	98.4	Very high	98.2	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.036	27%	0.27	C	S	.	.			trans	-70.7	115.2	175.5	-179	0	0	0	0	110.4	D90 A97 M101 V204	D90-V92 PolarHBondContact O-N 3.44Å; V92-A97 HydrophobicContact CG1-CB 3.5Å; V92-M101 HydrophobicContact CB-CE 3.37Å; V92-M101 HydrophobicContact CB-SD 4.47Å; V92-M101 HydrophobicContact CG1-CE 3.65Å; V92-M101 HydrophobicContact CG2-CE 3.41Å; V92-M101 VanDerWaalsContact CG2-CE 3.41Å; V92-M101 HydrophobicContact CG2-SD 3.87Å; V92-V204 HydrophobicContact CG2-CG2 4.09Å
93	R	98.1	Very high	98.2	Very high	65 Å²	65	54.3 Å²	54.3	25%	0.245	27%	0.271	C	S	.	.			trans	-117	22.6	178.7	-58.7	-62.2	174.7	-91.7	0.1	114	G91 D135 T137 H145 W157	G91-R93 PolarHBondContact O-N 3.06Å; G91-R93 VanDerWaalsContact O-N 3.16Å; R93-D135 IonicContact CZ-OD2 2.84Å; R93-D135 IonicContact NH1-OD2 2.67Å; R93-D135 PolarHBondContact NH1-OD2 2.68Å; R93-D135 IonicContact NH2-OD2 3.61Å; R93-D135 PolarHBondContact NH2-OD2 2.82Å; R93-D135 VanDerWaalsContact NH2-OD2 3.12Å; R93-T137 PolarHBondContact NH2-OG1 3.37Å; R93-H145 HydrophobicContact CG-CB 4.47Å; R93-H145 PolarHBondContact NE-O 2.63Å; R93-H145 PolarHBondContact NH2-O 2.86Å; R93-W157 HydrophobicContact CB-CH2 4.33Å; R93-W157 HydrophobicContact CB-CZ2 4.25Å; R93-W157 WeakPolarHBondContact O-CH2 3.44Å
94	N	98.4	Very high	98.1	Very high	53 Å²	53	49.2 Å²	49.2	28%	0.283	24%	0.238	S	C	.	.			trans	-107.8	123.8	172.3	177.9	-58.1	0	0	0	109.9	Q96 A97 R98	N94-Q96 VanDerWaalsContact C-N 3.3Å; N94-Q96 PolarHBondContact O-N 3.41Å; N94-Q96 WeakPolarHBondContact OD1-CA 3.31Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.36Å; N94-Q96 PolarHBondContact OD1-N 2.87Å; N94-A97 HydrophobicContact CB-CB 3.9Å; N94-A97 PolarHBondContact O-N 2.91Å; N94-A97 PolarHBondContact OD1-N 2.78Å; N94-R98 WeakPolarHBondContact O-CB 3.49Å; N94-R98 PolarHBondContact O-N 3.43Å
95	Y	98	Very high	98.1	Very high	124 Å²	124	47.7 Å²	47.7	49%	0.486	23%	0.225	S	C	.	.	H	α-helix	trans	-59.1	-37.8	-176.7	-74.3	-71	0	0	0	113.8	N99 W157	Y95-N99 WeakPolarHBondContact O-CB 3.45Å; Y95-N99 PolarHBondContact O-N 3.2Å; Y95-N99 PolarHBondContact O-ND2 2.88Å; Y95-N99 PolarHBondContact O-OD1 2.7Å; Y95-W157 HydrophobicContact CD1-CH2 4.1Å; Y95-W157 HydrophobicContact CD1-CZ3 4.2Å; Y95-W157 HydrophobicContact CD2-CH2 4.26Å; Y95-W157 AromaticContact CE1-CH2 3.98Å; Y95-W157 HydrophobicContact CE1-CH2 3.98Å; Y95-W157 HydrophobicContact CE1-CZ2 4.46Å; Y95-W157 HydrophobicContact CE1-CZ3 4.4Å; Y95-W157 HydrophobicContact CE2-CH2 4.14Å; Y95-W157 HydrophobicContact CG-CH2 4.24Å; Y95-W157 HydrophobicContact CG-CZ3 4.46Å; Y95-W157 AromaticContact CZ-CH2 4Å
96	Q	97.5	Very high	98.1	Very high	86 Å²	86	48.2 Å²	48.2	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-69.6	-46	177.9	-173.7	-179.9	28.8	0	0	110.8	N94 R98 N99 F100 L202	N94-Q96 VanDerWaalsContact C-N 3.3Å; N94-Q96 PolarHBondContact O-N 3.41Å; N94-Q96 WeakPolarHBondContact OD1-CA 3.31Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.36Å; N94-Q96 PolarHBondContact OD1-N 2.87Å; Q96-R98 VanDerWaalsContact C-N 3.32Å; Q96-R98 PolarHBondContact O-N 3.03Å; Q96-N99 PolarHBondContact O-N 3Å; Q96-N99 VanDerWaalsContact O-N 3.15Å; Q96-F100 HydrophobicContact CG-CD2 4.06Å; Q96-F100 HydrophobicContact CG-CE2 3.51Å; Q96-F100 HydrophobicContact CG-CZ 4.15Å; Q96-F100 VanDerWaalsContact O-CD2 3.27Å; Q96-F100 WeakPolarHBondContact O-CD2 3.23Å; Q96-F100 PolarHBondContact O-N 3.02Å; Q96-L202 HydrophobicContact CB-CD1 3.97Å; Q96-L202 HydrophobicContact CG-CD1 3.98Å
97	A	98.4	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-43.6	175.5	0	0	0	0	0	111.8	V92 N94 N99 F100 M101 L202 V204	V92-A97 HydrophobicContact CG1-CB 3.5Å; N94-A97 HydrophobicContact CB-CB 3.9Å; N94-A97 PolarHBondContact O-N 2.91Å; N94-A97 PolarHBondContact OD1-N 2.78Å; A97-N99 PolarHBondContact O-N 3.43Å; A97-F100 WeakPolarHBondContact O-CB 3.42Å; A97-F100 PolarHBondContact O-N 3.27Å; A97-M101 PolarHBondContact O-N 3.12Å; A97-L202 HydrophobicContact CB-CD1 3.88Å; A97-V204 HydrophobicContact CB-CB 3.86Å; A97-V204 HydrophobicContact CB-CG2 4.11Å
98	R	98.3	Very high	98	Very high	36 Å²	36	49 Å²	49	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-46.7	173.4	-178.5	-155.1	67.9	-177	-0.5	111.8	N94 Q96 F100 M101 R102 K156 W157	N94-R98 WeakPolarHBondContact O-CB 3.49Å; N94-R98 PolarHBondContact O-N 3.43Å; Q96-R98 VanDerWaalsContact C-N 3.32Å; Q96-R98 PolarHBondContact O-N 3.03Å; R98-F100 PolarHBondContact O-N 2.96Å; R98-M101 PolarHBondContact O-N 3.06Å; R98-R102 WeakPolarHBondContact O-CG 3.47Å; R98-R102 PolarHBondContact O-N 2.83Å; R98-K156 WeakPolarHBondContact CD-O 3.4Å; R98-K156 PolarHBondContact NH1-O 3.21Å; R98-W157 HydrophobicContact CB-CE3 4.3Å; R98-W157 HydrophobicContact CB-CZ3 4.39Å; R98-W157 HydrophobicContact CG-CE3 4.43Å
99	N	97.9	Very high	97.9	Very high	69 Å²	69	50.2 Å²	50.2	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-32.2	179.7	-68.9	-7.7	0	0	0	111.9	Y95 Q96 A97 Q103	Y95-N99 WeakPolarHBondContact O-CB 3.45Å; Y95-N99 PolarHBondContact O-N 3.2Å; Y95-N99 PolarHBondContact O-ND2 2.88Å; Y95-N99 PolarHBondContact O-OD1 2.7Å; Q96-N99 PolarHBondContact O-N 3Å; Q96-N99 VanDerWaalsContact O-N 3.15Å; A97-N99 PolarHBondContact O-N 3.43Å; N99-Q103 WeakPolarHBondContact O-CG 3.45Å; N99-Q103 PolarHBondContact O-NE2 2.92Å
100	F	97.7	Very high	97.9	Very high	24 Å²	24	49.6 Å²	49.6	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-44.3	171.3	-72.6	-46.7	0	0	0	112.5	F53 W56 Q96 A97 R98 R102 Q103 M104 L202 V204 P206	F53-F100 HydrophobicContact CE2-CD1 4.4Å; F53-F100 AromaticContact CE2-CE1 3.95Å; F53-F100 HydrophobicContact CE2-CE1 3.95Å; F53-F100 HydrophobicContact CZ-CE1 4.47Å; W56-F100 HydrophobicContact CE3-CB 4.43Å; W56-F100 WeakPolarHBondContact CH2-O 3.41Å; W56-F100 HydrophobicContact CZ3-CB 3.73Å; W56-F100 HydrophobicContact CZ3-CD1 4.03Å; W56-F100 HydrophobicContact CZ3-CG 4.17Å; Q96-F100 HydrophobicContact CG-CD2 4.06Å; Q96-F100 HydrophobicContact CG-CE2 3.51Å; Q96-F100 HydrophobicContact CG-CZ 4.15Å; Q96-F100 VanDerWaalsContact O-CD2 3.27Å; Q96-F100 WeakPolarHBondContact O-CD2 3.23Å; Q96-F100 PolarHBondContact O-N 3.02Å; A97-F100 WeakPolarHBondContact O-CB 3.42Å; A97-F100 PolarHBondContact O-N 3.27Å; R98-F100 PolarHBondContact O-N 2.96Å; F100-R102 VanDerWaalsContact C-N 3.25Å; F100-R102 PolarHBondContact O-N 2.94Å; F100-Q103 WeakPolarHBondContact O-CB 2.99Å; F100-Q103 PolarHBondContact O-N 3.21Å; F100-M104 PolarHBondContact O-N 3.04Å; F100-L202 HydrophobicContact CD2-CD1 4.44Å; F100-L202 HydrophobicContact CD2-CD2 4.26Å; F100-L202 HydrophobicContact CE2-CD1 4.46Å; F100-L202 HydrophobicContact CE2-CD2 3.8Å; F100-V204 HydrophobicContact CB-CG1 4Å; F100-V204 WeakPolarHBondContact CD2-O 3.27Å; F100-P206 HydrophobicContact CD1-CB 4.38Å; F100-P206 HydrophobicContact CD1-CG 4Å; F100-P206 HydrophobicContact CD2-CG 4.5Å; F100-P206 HydrophobicContact CE1-CB 4.31Å; F100-P206 HydrophobicContact CE1-CG 3.58Å; F100-P206 HydrophobicContact CE2-CG 4.09Å; F100-P206 HydrophobicContact CG-CG 4.46Å; F100-P206 HydrophobicContact CZ-CG 3.62Å
101	M	97.4	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-39	174.1	-74.6	-168.4	-64.7	0	0	112.7	V92 A97 R98 Q103 M104 S158 V160 V204	V92-M101 HydrophobicContact CB-CE 3.37Å; V92-M101 HydrophobicContact CB-SD 4.47Å; V92-M101 HydrophobicContact CG1-CE 3.65Å; V92-M101 HydrophobicContact CG2-CE 3.41Å; V92-M101 VanDerWaalsContact CG2-CE 3.41Å; V92-M101 HydrophobicContact CG2-SD 3.87Å; A97-M101 PolarHBondContact O-N 3.12Å; R98-M101 PolarHBondContact O-N 3.06Å; M101-Q103 PolarHBondContact O-N 3.06Å; M101-Q103 VanDerWaalsContact O-N 3.15Å; M101-M104 HydrophobicContact CB-SD 4.36Å; M101-M104 HydrophobicContact CG-CE 4.06Å; M101-M104 HydrophobicContact CG-SD 4.14Å; M101-M104 VanDerWaalsContact O-CB 3.31Å; M101-M104 WeakPolarHBondContact O-CB 3.37Å; M101-M104 PolarHBondContact O-N 3.22Å; M101-S158 WeakPolarHBondContact CE-O 3.44Å; M101-V160 HydrophobicContact CB-CG1 4.29Å; M101-V160 HydrophobicContact SD-CG2 4.41Å; M101-V204 HydrophobicContact CG-CB 4.31Å; M101-V204 HydrophobicContact CG-CG1 3.83Å; M101-V204 HydrophobicContact CG-CG2 3.88Å; M101-V204 HydrophobicContact SD-CG2 4.07Å
102	R	97.9	Very high	98	Very high	107 Å²	107	48.4 Å²	48.4	40%	0.404	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.4	175.8	-70.9	176.7	177.9	-175.3	-3.5	114.4	R98 F100 A132 K156 S158	R98-R102 WeakPolarHBondContact O-CG 3.47Å; R98-R102 PolarHBondContact O-N 2.83Å; F100-R102 VanDerWaalsContact C-N 3.25Å; F100-R102 PolarHBondContact O-N 2.94Å; R102-A132 HydrophobicContact CB-CB 4.37Å; R102-A132 HydrophobicContact CG-CB 3.96Å; R102-K156 PolarHBondContact NH2-O 2.9Å; R102-S158 PolarHBondContact NE-OG 2.68Å; R102-S158 PolarHBondContact NH2-OG 2.83Å; R102-S158 VanDerWaalsContact NH2-OG 3.1Å
103	Q	97.3	Very high	98	Very high	76 Å²	76	48.5 Å²	48.5	36%	0.355	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-11.2	176	-68.6	166.6	55.4	0	0	112.8	W56 N99 F100 M101	W56-Q103 HydrophobicContact CH2-CB 3.87Å; W56-Q103 HydrophobicContact CZ2-CB 4.32Å; N99-Q103 WeakPolarHBondContact O-CG 3.45Å; N99-Q103 PolarHBondContact O-NE2 2.92Å; F100-Q103 WeakPolarHBondContact O-CB 2.99Å; F100-Q103 PolarHBondContact O-N 3.21Å; M101-Q103 PolarHBondContact O-N 3.06Å; M101-Q103 VanDerWaalsContact O-N 3.15Å
104	M	97.6	Very high	98.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.228	C	C	.	.			trans	-65.1	142.4	179.7	-69	174.7	178.5	0	0	111.4	W56 L58 F100 M101 I128 V160 V204	W56-M104 HydrophobicContact CB-CE 3.98Å; W56-M104 HydrophobicContact CD2-CE 3.62Å; W56-M104 HydrophobicContact CD2-CG 3.86Å; W56-M104 VanDerWaalsContact CE2-CG 3.46Å; W56-M104 HydrophobicContact CE3-CE 3.81Å; W56-M104 HydrophobicContact CE3-CG 4.44Å; W56-M104 HydrophobicContact CG-CE 3.68Å; W56-M104 HydrophobicContact CG-CG 4.24Å; W56-M104 HydrophobicContact CH2-CG 4.35Å; W56-M104 HydrophobicContact CZ2-CB 4.42Å; W56-M104 HydrophobicContact CZ2-CG 3.74Å; L58-M104 HydrophobicContact CD1-CE 3.74Å; L58-M104 HydrophobicContact CD2-CE 4.28Å; L58-M104 HydrophobicContact CG-CE 4.3Å; F100-M104 PolarHBondContact O-N 3.04Å; M101-M104 HydrophobicContact CB-SD 4.36Å; M101-M104 HydrophobicContact CG-CE 4.06Å; M101-M104 HydrophobicContact CG-SD 4.14Å; M101-M104 VanDerWaalsContact O-CB 3.31Å; M101-M104 WeakPolarHBondContact O-CB 3.37Å; M101-M104 PolarHBondContact O-N 3.22Å; M104-I128 HydrophobicContact CB-CG1 4.22Å; M104-I128 HydrophobicContact CB-CG2 4.33Å; M104-I128 HydrophobicContact CG-CG1 4.44Å; M104-I128 HydrophobicContact SD-CD1 3.71Å; M104-I128 HydrophobicContact SD-CG1 4.21Å; M104-V160 HydrophobicContact CB-CG1 4.46Å; M104-V160 HydrophobicContact SD-CG1 4.04Å; M104-V160 HydrophobicContact SD-CG2 4Å; M104-V204 HydrophobicContact CE-CG1 3.4Å
105	K	97.8	Very high	98	Very high	99 Å²	99	45.2 Å²	45.2	43%	0.43	22%	0.222	S	C	.	.			trans	-118.2	145.7	176.6	-59.7	-61.7	175.3	-174.4	0	111	G107 Q108 E131	K105-G107 PolarHBondContact O-N 3.3Å; K105-Q108 HydrophobicContact CB-CG 4.05Å; K105-Q108 VanDerWaalsContact O-CB 3.25Å; K105-Q108 WeakPolarHBondContact O-CB 3.47Å; K105-Q108 WeakPolarHBondContact O-CG 3.48Å; K105-Q108 PolarHBondContact O-N 3.2Å; K105-E131 WeakPolarHBondContact CD-OE1 3.23Å; K105-E131 IonicContact NZ-OE1 3.14Å; K105-E131 PolarHBondContact NZ-OE1 3.23Å; K105-E131 IonicContact NZ-OE2 2.68Å; K105-E131 PolarHBondContact NZ-OE2 3.19Å
106	V	98.4	Very high	97.9	Very high	86 Å²	86	44.4 Å²	44.4	52%	0.521	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	137.5	175.4	171.9	0	0	0	0	109.7	Q108 I128 E131	V106-Q108 VanDerWaalsContact C-N 3.3Å; V106-Q108 PolarHBondContact O-N 2.88Å; V106-I128 CarbonylContact C-O 3.54Å; V106-I128 WeakPolarHBondContact CA-O 3.48Å; V106-E131 HydrophobicContact CG2-CG 3.89Å
107	G	97.6	Very high	97.9	Very high	50 Å²	50	41.3 Å²	41.3	52%	0.515	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-11.6	-176.3	0	0	0	0	0	114.8	K105 I128	K105-G107 PolarHBondContact O-N 3.3Å; G107-I128 PolarHBondContact N-O 3.47Å
108	Q	97.6	Very high	97.9	Very high	29 Å²	29	49.9 Å²	49.9	14%	0.136	25%	0.251	C	S	.	.			trans	-69.6	146.8	171.8	-68.2	-177.4	-21.8	0	0	111.1	F53 K105 V106 T127 I128	F53-Q108 PolarHBondContact O-NE2 2.96Å; K105-Q108 HydrophobicContact CB-CG 4.05Å; K105-Q108 VanDerWaalsContact O-CB 3.25Å; K105-Q108 WeakPolarHBondContact O-CB 3.47Å; K105-Q108 WeakPolarHBondContact O-CG 3.48Å; K105-Q108 PolarHBondContact O-N 3.2Å; V106-Q108 VanDerWaalsContact C-N 3.3Å; V106-Q108 PolarHBondContact O-N 2.88Å; Q108-T127 WeakPolarHBondContact O-CA 3.35Å; Q108-I128 HydrophobicContact CB-CG1 4.46Å; Q108-I128 PolarHBondContact O-N 2.8Å
109	Q	97.7	Very high	97.8	Very high	59 Å²	59	55.2 Å²	55.2	28%	0.276	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	150.3	-178.4	-66	-179.1	-61.3	0	0	111.8	R55 W56 I125 M126	R55-Q109 WeakPolarHBondContact CA-O 3Å; W56-Q109 PolarHBondContact N-O 3.5Å; W56-Q109 VanDerWaalsContact N-O 3.07Å; Q109-I125 HydrophobicContact CB-CG2 4.18Å; Q109-I125 HydrophobicContact CG-CG2 4.37Å; Q109-M126 WeakPolarHBondContact CA-O 3.4Å
110	A	98.6	Very high	97.9	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.9	171.2	0	0	0	0	0	112.1	W56 L58 I125 M126	W56-A110 HydrophobicContact CB-CB 3.86Å; W56-A110 CarbonylContact O-C 3.56Å; W56-A110 VanDerWaalsContact O-CA 3.23Å; W56-A110 WeakPolarHBondContact O-CA 3.34Å; L58-A110 HydrophobicContact CD1-CB 3.5Å; L58-A110 VanDerWaalsContact CD1-CB 3.5Å; A110-I125 WeakPolarHBondContact O-CA 3.31Å; A110-M126 HydrophobicContact CB-CE 3.76Å; A110-M126 HydrophobicContact CB-CG 3.92Å; A110-M126 PolarHBondContact N-O 3.07Å; A110-M126 PolarHBondContact O-N 3.48Å
111	F	98.7	Very high	97.9	Very high	44 Å²	44	52.5 Å²	52.5	19%	0.193	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.1	164	-70.3	-59.3	0	0	0	110.3	W56 L57 L58 I122 G124 I125 M168 L207	W56-F111 PolarHBondContact O-N 3.1Å; L57-F111 HydrophobicContact CB-CB 4.47Å; L57-F111 HydrophobicContact CG-CB 4.41Å; L58-F111 PolarHBondContact N-O 3.03Å; F111-I122 HydrophobicContact CB-CD1 4.41Å; F111-I122 HydrophobicContact CB-CG1 4.39Å; F111-I122 HydrophobicContact CB-CG2 3.9Å; F111-I122 HydrophobicContact CD1-CD1 4.47Å; F111-I122 HydrophobicContact CD1-CG2 3.52Å; F111-I122 HydrophobicContact CD2-CD1 4.24Å; F111-I122 HydrophobicContact CE1-CG2 4.3Å; F111-I122 HydrophobicContact CG-CD1 4.13Å; F111-I122 HydrophobicContact CG-CG2 3.9Å; F111-G124 WeakPolarHBondContact CA-O 3.18Å; F111-I125 HydrophobicContact CD1-CG1 3.94Å; F111-I125 HydrophobicContact CE1-CD1 4.01Å; F111-I125 HydrophobicContact CE1-CG1 3.91Å; F111-M168 HydrophobicContact CD1-SD 4.36Å; F111-M168 HydrophobicContact CE1-CE 4.15Å; F111-M168 HydrophobicContact CE1-SD 4.01Å; F111-L207 HydrophobicContact CD2-CD1 3.62Å; F111-L207 HydrophobicContact CE2-CD1 3.82Å
112	F	98.8	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	110.7	166.6	-165.4	-61.2	0	0	0	108.1	F74 G75 I76 L79 W89 H114 A123 G124 M126	F74-F112 HydrophobicContact CD1-CE2 4.33Å; F74-F112 HydrophobicContact CD1-CZ 4.09Å; F74-F112 HydrophobicContact CE1-CE2 4.08Å; F74-F112 HydrophobicContact CE1-CZ 4.28Å; G75-F112 VanDerWaalsContact C-CZ 3.46Å; I76-F112 HydrophobicContact CB-CD1 3.98Å; I76-F112 HydrophobicContact CB-CD2 4.27Å; I76-F112 HydrophobicContact CB-CE1 4.13Å; I76-F112 HydrophobicContact CB-CE2 4.38Å; I76-F112 HydrophobicContact CB-CG 4.09Å; I76-F112 HydrophobicContact CB-CZ 4.32Å; I76-F112 HydrophobicContact CD1-CB 3.94Å; I76-F112 HydrophobicContact CD1-CG 4.16Å; I76-F112 HydrophobicContact CG1-CB 4.34Å; I76-F112 HydrophobicContact CG1-CD1 4.44Å; I76-F112 HydrophobicContact CG1-CD2 4.05Å; I76-F112 HydrophobicContact CG1-CE2 4.48Å; I76-F112 HydrophobicContact CG1-CG 4.03Å; L79-F112 HydrophobicContact CB-CE2 4.26Å; L79-F112 HydrophobicContact CD2-CD2 3.97Å; L79-F112 HydrophobicContact CD2-CE2 4.01Å; W89-F112 AromaticContact CH2-CD2 3.71Å; W89-F112 HydrophobicContact CH2-CD2 3.71Å; W89-F112 HydrophobicContact CH2-CE1 4.46Å; W89-F112 AromaticContact CH2-CE2 3.49Å; W89-F112 HydrophobicContact CH2-CE2 3.49Å; W89-F112 VanDerWaalsContact CH2-CE2 3.49Å; W89-F112 HydrophobicContact CH2-CG 4.31Å; W89-F112 AromaticContact CH2-CZ 3.89Å; W89-F112 HydrophobicContact CH2-CZ 3.89Å; W89-F112 AromaticContact CZ3-CD2 3.86Å; W89-F112 HydrophobicContact CZ3-CD2 3.86Å; W89-F112 AromaticContact CZ3-CE2 3.58Å; W89-F112 HydrophobicContact CZ3-CE2 3.58Å; W89-F112 HydrophobicContact CZ3-CZ 4.33Å; F112-H114 AromaticContact CD1-CD2 3.64Å; F112-H114 AromaticContact CD1-NE2 3.85Å; F112-H114 AromaticContact CE1-CD2 3.5Å; F112-H114 AromaticContact CE1-NE2 3.67Å; F112-A123 PolarHBondContact O-N 2.87Å; F112-G124 PolarHBondContact N-O 2.98Å; F112-M126 HydrophobicContact CB-SD 4.32Å; F112-M126 HydrophobicContact CD2-SD 3.81Å; F112-M126 HydrophobicContact CG-SD 4.5Å
113	Y	98.8	Very high	98	Very high	8 Å²	8	48.2 Å²	48.2	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.7	-177.8	-178.3	-81.8	0	0	0	110.8	L57 L58 K59 S60 S115 G121 I122 L174 L177 L196	L57-Y113 HydrophobicContact CD1-CD2 4.03Å; L57-Y113 HydrophobicContact CD1-CG 4.42Å; L57-Y113 HydrophobicContact CD2-CD2 4.44Å; L57-Y113 HydrophobicContact CD2-CG 4.09Å; L57-Y113 HydrophobicContact CG-CG 4.48Å; L58-Y113 WeakPolarHBondContact O-CB 3.36Å; L58-Y113 PolarHBondContact O-N 2.9Å; K59-Y113 CarbonylContact C-O 3.3Å; K59-Y113 WeakPolarHBondContact CA-O 3.47Å; K59-Y113 HydrophobicContact CB-CD1 4.19Å; K59-Y113 HydrophobicContact CD-CD1 4.13Å; K59-Y113 HydrophobicContact CD-CE1 4.4Å; K59-Y113 HydrophobicContact CG-CD1 3.69Å; K59-Y113 HydrophobicContact CG-CE1 4.44Å; K59-Y113 HydrophobicContact CG-CG 4.25Å; S60-Y113 PolarHBondContact N-O 2.99Å; Y113-S115 PolarHBondContact O-N 2.93Å; Y113-G121 CarbonylContact C-O 3.57Å; Y113-G121 WeakPolarHBondContact CA-O 3.44Å; Y113-I122 HydrophobicContact CD2-CG1 3.96Å; Y113-L174 WeakPolarHBondContact OH-CD1 3.44Å; Y113-L177 HydrophobicContact CE2-CD1 4.41Å; Y113-L196 HydrophobicContact CD2-CD1 4.37Å; Y113-L196 HydrophobicContact CE2-CD1 3.89Å; Y113-L196 HydrophobicContact CE2-CD2 3.94Å
114	H	98.8	Very high	98.1	Very high	27 Å²	27	44.6 Å²	44.6	13%	0.125	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.6	171	-73.5	179.3	0	0	0	110.1	S60 P62 I76 F112 P120 G121	S60-H114 WeakPolarHBondContact O-CA 3.11Å; P62-H114 HydrophobicContact CG-CB 3.81Å; I76-H114 PolarHBondContact N-NE2 3.13Å; F112-H114 AromaticContact CD1-CD2 3.64Å; F112-H114 AromaticContact CD1-NE2 3.85Å; F112-H114 AromaticContact CE1-CD2 3.5Å; F112-H114 AromaticContact CE1-NE2 3.67Å; H114-P120 VanDerWaalsContact O-CA 3.25Å; H114-P120 WeakPolarHBondContact O-CA 3.3Å; H114-P120 WeakPolarHBondContact O-CB 3.42Å; H114-G121 PolarHBondContact N-O 2.83Å; H114-G121 PolarHBondContact O-N 2.85Å; H114-G121 VanDerWaalsContact O-N 3.1Å
115	S	97.6	Very high	98.1	Very high	23 Å²	23	45.1 Å²	45.1	16%	0.161	24%	0.238	C	C	.	.			trans	-114.2	160.8	176.4	57.3	0	0	0	0	112.1	S60 E61 P62 Y113 C117	S60-S115 PolarHBondContact O-N 2.89Å; S60-S115 PolarHBondContact O-OG 3.06Å; E61-S115 WeakPolarHBondContact CA-O 3.42Å; P62-S115 WeakPolarHBondContact CD-O 3.27Å; Y113-S115 PolarHBondContact O-N 2.93Å; S115-C117 PolarHBondContact O-N 3.41Å
116	N	96.5	Very high	98.2	Very high	107 Å²	107	40.4 Å²	40.4	57%	0.572	22%	0.217	S	C	*	.	S	Bend	trans	53.1	39.8	173.1	-161.9	44.2	0	0	0	114.2	E61 R65	E61-N116 HydrophobicContact CG-CB 4.03Å; E61-N116 WeakPolarHBondContact OE2-CB 3.48Å; E61-N116 PolarHBondContact OE2-ND2 2.54Å; R65-N116 WeakPolarHBondContact CD-ND2 3.45Å; R65-N116 PolarHBondContact NE-ND2 3.12Å
117	C	97.3	Very high	98.2	Very high	21 Å²	21	37.6 Å²	37.6	14%	0.142	20%	0.2	C	C	.	.	S	Bend	trans	-131.4	172.8	178.6	56.9	0	0	0	0	109.8	P62 E63 S115 E119	P62-C117 HydrophobicContact CG-CB 3.6Å; E63-C117 HydrophobicContact CB-CB 4.39Å; E63-C117 HydrophobicContact CG-CB 3.85Å; E63-C117 WeakPolarHBondContact OE1-CB 3.37Å; S115-C117 PolarHBondContact O-N 3.41Å; C117-E119 VanDerWaalsContact C-N 3.27Å; C117-E119 PolarHBondContact O-N 3.43Å; C117-E119 PolarHBondContact SG-O 2.83Å
118	K	97.3	Very high	98.2	Very high	180 Å²	180	35.2 Å²	35.2	78%	0.783	18%	0.176	S	C	*	.	S	Bend	trans	-60.7	-38.8	178.3	-67	177.7	-176	177.6	0	112.2	E63 P120	E63-K118 PolarHBondContact OE1-N 3.26Å; K118-P120 WeakPolarHBondContact O-CD 3.23Å
119	E	97.1	Very high	98.3	Very high	148 Å²	148	36.3 Å²	36.3	69%	0.692	18%	0.184	S	C	*	.	S	Bend	trans	-120.3	82.2	-178.8	-62.9	-172.1	160.3	0	0	110.5	C117 F171	C117-E119 VanDerWaalsContact C-N 3.27Å; C117-E119 PolarHBondContact O-N 3.43Å; C117-E119 PolarHBondContact SG-O 2.83Å; E119-F171 HydrophobicContact CB-CE1 4.45Å; E119-F171 VanDerWaalsContact O-CZ 3.26Å; E119-F171 WeakPolarHBondContact O-CZ 3.41Å
120	P	98.4	Very high	98.3	Very high	35 Å²	35	37.8 Å²	37.8	23%	0.227	19%	0.19	C	C	.	.			trans	-77.5	145.3	178.9	31.1	-34.3	0	0	0	111.4	H114 K118 L174	H114-P120 VanDerWaalsContact O-CA 3.25Å; H114-P120 WeakPolarHBondContact O-CA 3.3Å; H114-P120 WeakPolarHBondContact O-CB 3.42Å; K118-P120 WeakPolarHBondContact O-CD 3.23Å; P120-L174 HydrophobicContact CB-CB 4.29Å; P120-L174 HydrophobicContact CB-CD2 4.36Å; P120-L174 HydrophobicContact CG-CB 3.97Å; P120-L174 HydrophobicContact CG-CD2 3.97Å; P120-L174 WeakPolarHBondContact O-CB 3.39Å; P120-L174 PolarHBondContact O-N 2.74Å
121	G	98.6	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-175.8	-176.8	0	0	0	0	0	114.3	Y113 H114 F171 V172	Y113-G121 CarbonylContact C-O 3.57Å; Y113-G121 WeakPolarHBondContact CA-O 3.44Å; H114-G121 PolarHBondContact N-O 2.83Å; H114-G121 PolarHBondContact O-N 2.85Å; H114-G121 VanDerWaalsContact O-N 3.1Å; G121-F171 VanDerWaalsContact CA-CZ 3.4Å; G121-V172 CarbonylContact C-O 3.54Å; G121-V172 WeakPolarHBondContact CA-O 3.34Å
122	I	98.8	Very high	98.4	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.062	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.8	178.2	-60.1	168.4	0	0	0	109.3	L57 F111 Y113 M168 F171 V172 L177	L57-I122 HydrophobicContact CD1-CD1 4.49Å; L57-I122 HydrophobicContact CD1-CG1 4.5Å; F111-I122 HydrophobicContact CB-CD1 4.41Å; F111-I122 HydrophobicContact CB-CG1 4.39Å; F111-I122 HydrophobicContact CB-CG2 3.9Å; F111-I122 HydrophobicContact CD1-CD1 4.47Å; F111-I122 HydrophobicContact CD1-CG2 3.52Å; F111-I122 HydrophobicContact CD2-CD1 4.24Å; F111-I122 HydrophobicContact CE1-CG2 4.3Å; F111-I122 HydrophobicContact CG-CD1 4.13Å; F111-I122 HydrophobicContact CG-CG2 3.9Å; Y113-I122 HydrophobicContact CD2-CG1 3.96Å; I122-M168 HydrophobicContact CG2-CG 3.93Å; I122-M168 HydrophobicContact CG2-SD 4.38Å; I122-F171 WeakPolarHBondContact O-CD2 3.26Å; I122-V172 HydrophobicContact CB-CB 4.23Å; I122-V172 PolarHBondContact N-O 2.86Å; I122-V172 PolarHBondContact O-N 2.87Å; I122-V172 VanDerWaalsContact O-N 3.12Å; I122-L177 HydrophobicContact CD1-CD1 3.87Å; I122-L177 HydrophobicContact CD1-CD2 4.23Å; I122-L177 HydrophobicContact CG1-CD1 4.05Å
123	A	98.8	Very high	98.4	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-35.5	-178.5	0	0	0	0	0	113.1	I76 F112 M168 F171	I76-A123 HydrophobicContact CB-CB 4.3Å; I76-A123 HydrophobicContact CD1-CB 4.17Å; I76-A123 HydrophobicContact CG2-CB 3.86Å; F112-A123 PolarHBondContact O-N 2.87Å; A123-M168 PolarHBondContact O-N 2.75Å; A123-F171 HydrophobicContact CB-CD2 4.29Å; A123-F171 HydrophobicContact CB-CE2 4.2Å
124	G	98.7	Very high	98.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	-171.5	-176	0	0	0	0	0	114	I76 F111 F112 R166	I76-G124 VanDerWaalsContact CD1-CA 3.46Å; F111-G124 WeakPolarHBondContact CA-O 3.18Å; F112-G124 PolarHBondContact N-O 2.98Å; G124-R166 WeakPolarHBondContact CA-O 3.3Å
125	I	98.8	Very high	98.3	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.062	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.8	179.5	-54.7	-174.8	0	0	0	108.8	Q109 A110 F111 Q165 R166 M168	Q109-I125 HydrophobicContact CB-CG2 4.18Å; Q109-I125 HydrophobicContact CG-CG2 4.37Å; A110-I125 WeakPolarHBondContact O-CA 3.31Å; F111-I125 HydrophobicContact CD1-CG1 3.94Å; F111-I125 HydrophobicContact CE1-CD1 4.01Å; F111-I125 HydrophobicContact CE1-CG1 3.91Å; I125-Q165 VanDerWaalsContact CG2-OE1 3.26Å; I125-Q165 WeakPolarHBondContact O-CB 3.36Å; I125-Q165 PolarHBondContact O-N 3.02Å; I125-R166 HydrophobicContact CB-CG 4.43Å; I125-R166 VanDerWaalsContact CD1-CZ 3.48Å; I125-R166 PolarHBondContact N-O 3.38Å; I125-R166 PolarHBondContact O-N 3.18Å; I125-M168 HydrophobicContact CD1-SD 4.18Å; I125-M168 HydrophobicContact CG1-SD 3.88Å
126	M	98.8	Very high	98.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	163.9	171.4	62.1	-168.7	-176.1	0	0	110	L58 L79 W89 Q109 A110 F112 V162 Q163	L58-M126 HydrophobicContact CB-CE 3.59Å; L58-M126 HydrophobicContact CD1-CE 3.81Å; L58-M126 HydrophobicContact CD2-CE 3.76Å; L58-M126 HydrophobicContact CG-CE 3.92Å; L79-M126 HydrophobicContact CD2-CB 4.48Å; L79-M126 HydrophobicContact CD2-SD 4.42Å; W89-M126 HydrophobicContact CE3-CE 4.1Å; W89-M126 HydrophobicContact CE3-SD 4.23Å; W89-M126 HydrophobicContact CH2-CE 3.84Å; W89-M126 HydrophobicContact CH2-SD 4.14Å; W89-M126 HydrophobicContact CZ2-CE 4.33Å; W89-M126 HydrophobicContact CZ3-CE 3.73Å; W89-M126 HydrophobicContact CZ3-SD 3.63Å; Q109-M126 WeakPolarHBondContact CA-O 3.4Å; A110-M126 HydrophobicContact CB-CE 3.76Å; A110-M126 HydrophobicContact CB-CG 3.92Å; A110-M126 PolarHBondContact N-O 3.07Å; A110-M126 PolarHBondContact O-N 3.48Å; F112-M126 HydrophobicContact CB-SD 4.32Å; F112-M126 HydrophobicContact CD2-SD 3.81Å; F112-M126 HydrophobicContact CG-SD 4.5Å; M126-V162 HydrophobicContact CB-CB 4.43Å; M126-V162 HydrophobicContact CE-CG1 4.15Å; M126-V162 HydrophobicContact CG-CB 4.25Å; M126-V162 HydrophobicContact SD-CB 3.83Å; M126-V162 HydrophobicContact SD-CG1 4.1Å; M126-V162 HydrophobicContact SD-CG2 3.67Å; M126-Q163 CarbonylContact C-O 3.55Å; M126-Q163 WeakPolarHBondContact CA-O 3.47Å; M126-Q163 VanDerWaalsContact CB-O 3.26Å; M126-Q163 WeakPolarHBondContact CB-O 3.5Å
127	T	98.6	Very high	98.5	Very high	26 Å²	26	44.8 Å²	44.8	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142	178.9	-54.9	0	0	0	0	109.5	Q108 V129 V162 Q163	Q108-T127 WeakPolarHBondContact O-CA 3.35Å; T127-V129 PolarHBondContact O-N 2.86Å; T127-V162 CarbonylContact O-C 3.48Å; T127-V162 VanDerWaalsContact O-CA 3.31Å; T127-V162 WeakPolarHBondContact O-CA 3.27Å; T127-Q163 PolarHBondContact N-O 3.03Å; T127-Q163 PolarHBondContact O-N 2.89Å
128	I	98.8	Very high	98.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.9	171.3	-51.6	-53	0	0	0	108.5	M104 V106 G107 Q108 K130 V160 V162	M104-I128 HydrophobicContact CB-CG1 4.22Å; M104-I128 HydrophobicContact CB-CG2 4.33Å; M104-I128 HydrophobicContact CG-CG1 4.44Å; M104-I128 HydrophobicContact SD-CD1 3.71Å; M104-I128 HydrophobicContact SD-CG1 4.21Å; V106-I128 CarbonylContact C-O 3.54Å; V106-I128 WeakPolarHBondContact CA-O 3.48Å; G107-I128 PolarHBondContact N-O 3.47Å; Q108-I128 HydrophobicContact CB-CG1 4.46Å; Q108-I128 PolarHBondContact O-N 2.8Å; I128-K130 WeakPolarHBondContact CG2-O 3.43Å; I128-V160 HydrophobicContact CD1-CG2 4.32Å; I128-V160 HydrophobicContact CG2-CB 4.47Å; I128-V162 HydrophobicContact CD1-CG1 3.81Å
129	V	98.8	Very high	98.6	Very high	53 Å²	53	38.8 Å²	38.8	32%	0.321	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-11.3	180	-64.5	0	0	0	0	113.2	T86 T127 D161 Q163	T86-V129 HydrophobicContact CG2-CG2 3.88Å; T127-V129 PolarHBondContact O-N 2.86Å; V129-D161 HydrophobicContact CG2-CB 3.77Å; V129-D161 PolarHBondContact N-O 2.88Å; V129-Q163 HydrophobicContact CB-CB 4.47Å; V129-Q163 HydrophobicContact CG1-CB 3.48Å; V129-Q163 VanDerWaalsContact CG1-CB 3.48Å; V129-Q163 HydrophobicContact CG2-CB 4.15Å
130	K	98.8	Very high	98.6	Very high	90 Å²	90	35.6 Å²	35.6	39%	0.391	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	129.6	169.6	-167.6	179.3	175.6	-172.9	0	110.6	I128 Y133 V160 D161	I128-K130 WeakPolarHBondContact CG2-O 3.43Å; K130-Y133 HydrophobicContact CD-CD1 3.79Å; K130-Y133 HydrophobicContact CD-CE1 3.63Å; K130-Y133 HydrophobicContact CG-CD1 4.17Å; K130-Y133 HydrophobicContact CG-CE1 4.29Å; K130-V160 WeakPolarHBondContact O-CB 3.33Å; K130-D161 HydrophobicContact CB-CB 3.62Å; K130-D161 HydrophobicContact CD-CB 4.48Å; K130-D161 WeakPolarHBondContact CD-OD2 3.46Å; K130-D161 PolarHBondContact N-O 2.88Å; K130-D161 IonicContact NZ-OD2 2.71Å; K130-D161 PolarHBondContact O-N 3.16Å
131	E	98.8	Very high	98.4	Very high	80 Å²	80	41.6 Å²	41.6	37%	0.374	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	168.2	174.2	-57.4	-160.9	177.8	0	0	111.6	K105 V106 Y133	K105-E131 WeakPolarHBondContact CD-OE1 3.23Å; K105-E131 IonicContact NZ-OE1 3.14Å; K105-E131 PolarHBondContact NZ-OE1 3.23Å; K105-E131 IonicContact NZ-OE2 2.68Å; K105-E131 PolarHBondContact NZ-OE2 3.19Å; V106-E131 HydrophobicContact CG2-CG 3.89Å; E131-Y133 WeakPolarHBondContact O-CD1 3.44Å; E131-Y133 PolarHBondContact O-N 2.8Å
132	A	98.7	Very high	98.2	Very high	36 Å²	36	50.3 Å²	50.3	30%	0.298	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	131.5	-172.1	0	0	0	0	0	113.4	R102 M159 V160	R102-A132 HydrophobicContact CB-CB 4.37Å; R102-A132 HydrophobicContact CG-CB 3.96Å; A132-M159 CarbonylContact C-O 3.54Å; A132-M159 VanDerWaalsContact CA-O 3.24Å; A132-M159 WeakPolarHBondContact CA-O 3.25Å; A132-V160 HydrophobicContact CB-CG1 4.18Å
133	Y	98.8	Very high	98.1	Very high	59 Å²	59	51.9 Å²	51.9	23%	0.231	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	176.1	173.8	64.5	-78.9	0	0	0	110	C88 K130 E131 D135 S158 M159 D161	C88-Y133 WeakPolarHBondContact CB-OH 3.4Å; K130-Y133 HydrophobicContact CD-CD1 3.79Å; K130-Y133 HydrophobicContact CD-CE1 3.63Å; K130-Y133 HydrophobicContact CG-CD1 4.17Å; K130-Y133 HydrophobicContact CG-CE1 4.29Å; E131-Y133 WeakPolarHBondContact O-CD1 3.44Å; E131-Y133 PolarHBondContact O-N 2.8Å; Y133-D135 PolarHBondContact O-N 2.97Å; Y133-S158 CarbonylContact O-C 3.11Å; Y133-S158 WeakPolarHBondContact O-CA 3.24Å; Y133-S158 WeakPolarHBondContact O-CB 3.38Å; Y133-M159 HydrophobicContact CD1-CG 4.42Å; Y133-M159 WeakPolarHBondContact CD1-O 3.04Å; Y133-M159 HydrophobicContact CD2-CE 4.11Å; Y133-M159 HydrophobicContact CD2-CG 4.34Å; Y133-M159 HydrophobicContact CE1-CG 3.96Å; Y133-M159 HydrophobicContact CE2-CE 3.19Å; Y133-M159 HydrophobicContact CE2-CG 3.9Å; Y133-M159 HydrophobicContact CE2-SD 4.31Å; Y133-M159 PolarHBondContact N-O 2.87Å; Y133-M159 PolarHBondContact O-N 2.71Å; Y133-M159 WeakPolarHBondContact OH-CE 3.5Å; Y133-D161 VanDerWaalsContact CE1-OD1 3.27Å; Y133-D161 WeakPolarHBondContact CE1-OD1 3.38Å; Y133-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y133-D161 PolarHBondContact OH-OD1 3.44Å
134	V	98.8	Very high	97.9	Very high	62 Å²	62	52.7 Å²	52.7	38%	0.376	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	127.7	-178.5	176.7	0	0	0	0	110.2	H136 F139 P155	V134-H136 PolarHBondContact O-N 2.89Å; V134-F139 HydrophobicContact CG1-CE2 3.7Å; V134-F139 HydrophobicContact CG1-CZ 4.12Å; V134-P155 HydrophobicContact CB-CB 4.35Å; V134-P155 HydrophobicContact CG1-CB 3.64Å; V134-P155 HydrophobicContact CG1-CG 4.3Å; V134-P155 HydrophobicContact CG2-CB 3.82Å; V134-P155 HydrophobicContact CG2-CG 3.59Å
135	D	98.8	Very high	97.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.268	C	S	.	.			trans	-72.5	113.5	171.7	-180	-7	0	0	0	109.6	G91 R93 Y133 T137 Q138 W157 M159	G91-D135 PolarHBondContact N-OD2 3Å; R93-D135 IonicContact CZ-OD2 2.84Å; R93-D135 IonicContact NH1-OD2 2.67Å; R93-D135 PolarHBondContact NH1-OD2 2.68Å; R93-D135 IonicContact NH2-OD2 3.61Å; R93-D135 PolarHBondContact NH2-OD2 2.82Å; R93-D135 VanDerWaalsContact NH2-OD2 3.12Å; Y133-D135 PolarHBondContact O-N 2.97Å; D135-T137 VanDerWaalsContact C-N 3.28Å; D135-T137 PolarHBondContact O-N 3.18Å; D135-T137 WeakPolarHBondContact OD1-CB 3.5Å; D135-T137 PolarHBondContact OD1-N 3.34Å; D135-T137 PolarHBondContact OD1-OG1 3.32Å; D135-T137 PolarHBondContact OD2-OG1 2.93Å; D135-Q138 WeakPolarHBondContact O-CG 3.48Å; D135-Q138 PolarHBondContact O-NE2 3.38Å; D135-W157 HydrophobicContact CB-CB 4.13Å; D135-W157 PolarHBondContact N-O 2.86Å; D135-M159 HydrophobicContact CB-CB 4.19Å; D135-M159 HydrophobicContact CB-CG 4.11Å; D135-M159 HydrophobicContact CB-SD 4.08Å
136	H	98.4	Very high	97.8	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.537	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-71.3	-22.5	-177.4	59.9	60.8	0	0	0	113.2	V134 Q138 F139 M159	V134-H136 PolarHBondContact O-N 2.89Å; H136-Q138 PolarHBondContact O-N 3.19Å; H136-F139 PolarHBondContact O-N 3.01Å; H136-M159 WeakPolarHBondContact CD2-CE 3.07Å
137	T	98.1	Very high	97.8	Very high	6 Å²	6	60 Å²	60	4%	0.037	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-68	-22.8	-176.9	69.5	0	0	0	0	112.2	D90 R93 D135 F139 D140 D143	D90-T137 HydrophobicContact CB-CG2 4.06Å; D90-T137 WeakPolarHBondContact OD2-CG2 3.36Å; R93-T137 PolarHBondContact NH2-OG1 3.37Å; D135-T137 VanDerWaalsContact C-N 3.28Å; D135-T137 PolarHBondContact O-N 3.18Å; D135-T137 WeakPolarHBondContact OD1-CB 3.5Å; D135-T137 PolarHBondContact OD1-N 3.34Å; D135-T137 PolarHBondContact OD1-OG1 3.32Å; D135-T137 PolarHBondContact OD2-OG1 2.93Å; T137-F139 PolarHBondContact O-N 3.42Å; T137-D140 PolarHBondContact O-N 3.29Å; T137-D143 WeakPolarHBondContact CB-OD2 3.31Å
138	Q	98.4	Very high	97.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-62	-18.8	177.5	80.3	-166.5	-70	0	0	113.9	D135 H136 Y146 D147 S150 K156 W157	D135-Q138 WeakPolarHBondContact O-CG 3.48Å; D135-Q138 PolarHBondContact O-NE2 3.38Å; H136-Q138 PolarHBondContact O-N 3.19Å; Q138-Y146 WeakPolarHBondContact O-CD2 3.46Å; Q138-D147 PolarHBondContact O-N 3.13Å; Q138-S150 PolarHBondContact OE1-OG 3.23Å; Q138-K156 VanDerWaalsContact OE1-N 3.14Å; Q138-W157 HydrophobicContact CB-CB 4.37Å; Q138-W157 HydrophobicContact CB-CG 4.46Å; Q138-W157 PolarHBondContact NE2-O 3.2Å; Q138-W157 VanDerWaalsContact OE1-CD1 3.31Å
139	F	98.3	Very high	97.7	Very high	74 Å²	74	65.7 Å²	65.7	33%	0.325	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-102	-14.2	-179.2	-53.4	-53.9	0	0	0	114.1	V134 H136 T137 K141 T151 P155	V134-F139 HydrophobicContact CG1-CE2 3.7Å; V134-F139 HydrophobicContact CG1-CZ 4.12Å; H136-F139 PolarHBondContact O-N 3.01Å; T137-F139 PolarHBondContact O-N 3.42Å; F139-K141 PolarHBondContact O-N 3.01Å; F139-T151 WeakPolarHBondContact CE1-O 3.48Å; F139-P155 HydrophobicContact CZ-CB 4.05Å
140	D	96.8	Very high	97.6	Very high	81 Å²	81	63.6 Å²	63.6	43%	0.433	32%	0.322	S	S	.	.			trans	-86.5	111.6	-178.4	-175.5	-4.5	0	0	0	110.6	T137 K142 D143 Y146	T137-D140 PolarHBondContact O-N 3.29Å; D140-K142 PolarHBondContact O-N 3.27Å; D140-K142 WeakPolarHBondContact OD1-CB 3.43Å; D140-K142 PolarHBondContact OD1-N 3.3Å; D140-D143 HydrophobicContact CB-CB 3.98Å; D140-D143 WeakPolarHBondContact O-CB 3.28Å; D140-D143 PolarHBondContact O-N 2.89Å; D140-Y146 VanDerWaalsContact O-CB 3.3Å; D140-Y146 WeakPolarHBondContact O-CB 3.38Å
141	K	95.9	Very high	97.5	Very high	162 Å²	162	62.2 Å²	62.2	70%	0.704	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-17.4	179	-67.5	-177.7	-179.2	-178.8	0	114.7	F139 Y146	F139-K141 PolarHBondContact O-N 3.01Å; K141-Y146 HydrophobicContact CG-CD2 4.17Å; K141-Y146 HydrophobicContact CG-CE1 4.07Å; K141-Y146 HydrophobicContact CG-CE2 3.66Å
142	K	93.8	Very high	97.3	Very high	182 Å²	182	63.3 Å²	63.3	79%	0.791	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-15.2	178.1	-62.6	179.3	-176.9	173.9	0	112.6	D140	D140-K142 PolarHBondContact O-N 3.27Å; D140-K142 WeakPolarHBondContact OD1-CB 3.43Å; D140-K142 PolarHBondContact OD1-N 3.3Å
143	D	95.9	Very high	97.2	Very high	45 Å²	45	68 Å²	68	24%	0.241	36%	0.359	C	S	.	.	S	Bend	trans	-76.8	143.6	177.9	-164	-76.1	0	0	0	110.2	T137 D140 H145 Y146	T137-D143 WeakPolarHBondContact CB-OD2 3.31Å; D140-D143 HydrophobicContact CB-CB 3.98Å; D140-D143 WeakPolarHBondContact O-CB 3.28Å; D140-D143 PolarHBondContact O-N 2.89Å; D143-H145 PolarHBondContact O-N 2.97Å; D143-H145 WeakPolarHBondContact OD1-CB 3.46Å; D143-H145 IonicContact OD1-CD2 2.78Å; D143-H145 IonicContact OD1-CG 3.57Å; D143-H145 PolarHBondContact OD1-N 2.9Å; D143-Y146 WeakPolarHBondContact O-CB 3.39Å; D143-Y146 PolarHBondContact O-N 3.16Å
144	V	96.1	Very high	97.1	Very high	23 Å²	23	70.3 Å²	70.3	14%	0.139	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.9	179.5	-60.6	0	0	0	0	112.5	E67 N68 V70 V72	E67-V144 HydrophobicContact CB-CB 4.14Å; E67-V144 HydrophobicContact CB-CG1 4Å; E67-V144 WeakPolarHBondContact O-CG1 3.44Å; N68-V144 HydrophobicContact CB-CG1 4.38Å; V70-V144 HydrophobicContact CB-CG1 3.43Å; V70-V144 VanDerWaalsContact CB-CG1 3.43Å; V70-V144 HydrophobicContact CG1-CG1 4.18Å; V70-V144 HydrophobicContact CG2-CG1 3.64Å; V72-V144 HydrophobicContact CG1-CG2 3.96Å
145	H	96.7	Very high	97	Very high	45 Å²	45	69 Å²	69	21%	0.208	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	17.3	-179.1	-52.5	-55.9	0	0	0	112.8	G91 R93 D143 D147	G91-H145 WeakPolarHBondContact CA-CD2 3.25Å; G91-H145 VanDerWaalsContact CA-CG 3.47Å; R93-H145 HydrophobicContact CG-CB 4.47Å; R93-H145 PolarHBondContact NE-O 2.63Å; R93-H145 PolarHBondContact NH2-O 2.86Å; D143-H145 PolarHBondContact O-N 2.97Å; D143-H145 WeakPolarHBondContact OD1-CB 3.46Å; D143-H145 IonicContact OD1-CD2 2.78Å; D143-H145 IonicContact OD1-CG 3.57Å; D143-H145 PolarHBondContact OD1-N 2.9Å; H145-D147 PolarHBondContact O-N 3.25Å
146	Y	97.6	Very high	97	Very high	92 Å²	92	71.3 Å²	71.3	36%	0.361	38%	0.377	S	S	.	.			trans	-52.5	135.7	170.9	178.4	-117.9	0	0	0	112	Q138 D140 K141 D143 A148	Q138-Y146 WeakPolarHBondContact O-CD2 3.46Å; D140-Y146 VanDerWaalsContact O-CB 3.3Å; D140-Y146 WeakPolarHBondContact O-CB 3.38Å; K141-Y146 HydrophobicContact CG-CD2 4.17Å; K141-Y146 HydrophobicContact CG-CE1 4.07Å; K141-Y146 HydrophobicContact CG-CE2 3.66Å; D143-Y146 WeakPolarHBondContact O-CB 3.39Å; D143-Y146 PolarHBondContact O-N 3.16Å; Y146-A148 HydrophobicContact CE1-CB 3.68Å
147	D	98	Very high	97	Very high	28 Å²	28	66.2 Å²	66.2	15%	0.15	35%	0.354	C	S	.	.			trans	-127.1	102.3	172.9	-175.5	-11.5	0	0	0	110	Q138 H145 S149 S150 W157	Q138-D147 PolarHBondContact O-N 3.13Å; H145-D147 PolarHBondContact O-N 3.25Å; D147-S149 PolarHBondContact O-N 3.12Å; D147-S149 WeakPolarHBondContact OD1-CA 3.39Å; D147-S149 WeakPolarHBondContact OD1-CB 3.26Å; D147-S149 PolarHBondContact OD1-N 3.25Å; D147-S149 PolarHBondContact OD1-OG 3.25Å; D147-S150 PolarHBondContact O-N 3.44Å; D147-W157 PolarHBondContact OD2-NE1 3.15Å
148	A	97.6	Very high	97	Very high	77 Å²	77	66.4 Å²	66.4	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.6	179	0	0	0	0	0	114.3	Y146	Y146-A148 HydrophobicContact CE1-CB 3.68Å
149	S	97.8	Very high	97.1	Very high	68 Å²	68	66.4 Å²	66.4	48%	0.476	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.7	180	74.7	0	0	0	0	113.2	D147 K156	D147-S149 PolarHBondContact O-N 3.12Å; D147-S149 WeakPolarHBondContact OD1-CA 3.39Å; D147-S149 WeakPolarHBondContact OD1-CB 3.26Å; D147-S149 PolarHBondContact OD1-N 3.25Å; D147-S149 PolarHBondContact OD1-OG 3.25Å; S149-K156 VanDerWaalsContact CB-NZ 3.3Å; S149-K156 WeakPolarHBondContact O-CE 3.35Å; S149-K156 PolarHBondContact O-NZ 3.03Å; S149-K156 PolarHBondContact OG-NZ 2.94Å
150	S	97.3	Very high	97.1	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.063	34%	0.339	C	S	.	.			trans	-99.3	133.2	173	-164.8	0	0	0	0	110.6	Q138 D147 K156	Q138-S150 PolarHBondContact OE1-OG 3.23Å; D147-S150 PolarHBondContact O-N 3.44Å; S150-K156 PolarHBondContact OG-N 2.83Å
151	T	96.6	Very high	97.2	Very high	61 Å²	61	60.4 Å²	60.4	37%	0.374	33%	0.326	S	S	.	.			trans	-124	161.3	-177.1	63	0	0	0	0	110.7	F139 D153 N154 P155	F139-T151 WeakPolarHBondContact CE1-O 3.48Å; T151-D153 VanDerWaalsContact C-N 3.25Å; T151-D153 WeakPolarHBondContact CB-OD1 3.05Å; T151-D153 PolarHBondContact O-N 3.3Å; T151-D153 VanDerWaalsContact OG1-CG 3.3Å; T151-D153 PolarHBondContact OG1-OD1 3.23Å; T151-N154 CarbonylContact O-C 3.6Å; T151-N154 PolarHBondContact O-N 2.92Å; T151-N154 VanDerWaalsContact O-N 3.14Å; T151-N154 PolarHBondContact OG1-N 3.41Å; T151-P155 WeakPolarHBondContact O-CA 3.38Å; T151-P155 VanDerWaalsContact O-N 3.08Å
152	S	94.7	Very high	97.3	Very high	104 Å²	104	52.7 Å²	52.7	73%	0.727	29%	0.293	S	S	*	.	S	Bend	trans	-65.6	-28.7	-178.5	51.4	0	0	0	0	113.1
153	D	96.8	Very high	97.6	Very high	135 Å²	135	47.6 Å²	47.6	72%	0.722	27%	0.272	S	S	*	.	S	Bend	trans	-77	-23.8	174	58.6	-58	0	0	0	113.1	T151	T151-D153 VanDerWaalsContact C-N 3.25Å; T151-D153 WeakPolarHBondContact CB-OD1 3.05Å; T151-D153 PolarHBondContact O-N 3.3Å; T151-D153 VanDerWaalsContact OG1-CG 3.3Å; T151-D153 PolarHBondContact OG1-OD1 3.23Å
154	N	95.9	Very high	97.7	Very high	106 Å²	106	46.8 Å²	46.8	57%	0.567	27%	0.266	S	S	*	.	S	Bend	trans	-140.7	68.6	178.8	-171.5	23.6	0	0	0	112.1	T151 K156	T151-N154 CarbonylContact O-C 3.6Å; T151-N154 PolarHBondContact O-N 2.92Å; T151-N154 VanDerWaalsContact O-N 3.14Å; T151-N154 PolarHBondContact OG1-N 3.41Å; N154-K156 PolarHBondContact O-N 3.28Å
155	P	97.6	Very high	97.8	Very high	34 Å²	34	50 Å²	50	22%	0.221	28%	0.28	C	S	.	.			trans	-65.2	119.5	-178.2	23.5	-32.4	0	0	0	111.4	V134 F139 T151	V134-P155 HydrophobicContact CB-CB 4.35Å; V134-P155 HydrophobicContact CG1-CB 3.64Å; V134-P155 HydrophobicContact CG1-CG 4.3Å; V134-P155 HydrophobicContact CG2-CB 3.82Å; V134-P155 HydrophobicContact CG2-CG 3.59Å; F139-P155 HydrophobicContact CZ-CB 4.05Å; T151-P155 WeakPolarHBondContact O-CA 3.38Å; T151-P155 VanDerWaalsContact O-N 3.08Å
156	K	98.5	Very high	97.9	Very high	49 Å²	49	53.3 Å²	53.3	21%	0.213	29%	0.29	C	S	.	.			trans	-74.7	-38.3	180	-68.8	-175.8	178	179.7	0	113	R98 R102 Q138 S149 S150 N154	R98-K156 WeakPolarHBondContact CD-O 3.4Å; R98-K156 PolarHBondContact NH1-O 3.21Å; R102-K156 PolarHBondContact NH2-O 2.9Å; Q138-K156 VanDerWaalsContact OE1-N 3.14Å; S149-K156 VanDerWaalsContact CB-NZ 3.3Å; S149-K156 WeakPolarHBondContact O-CE 3.35Å; S149-K156 PolarHBondContact O-NZ 3.03Å; S149-K156 PolarHBondContact OG-NZ 2.94Å; S150-K156 PolarHBondContact OG-N 2.83Å; N154-K156 PolarHBondContact O-N 3.28Å
157	W	98.8	Very high	98	Very high	10 Å²	10	52.3 Å²	52.3	4%	0.038	29%	0.29	C	S	.	.			trans	-106.9	148.7	-168.3	-53.8	108.8	0	0	0	111.7	R93 Y95 R98 D135 Q138 D147	R93-W157 HydrophobicContact CB-CH2 4.33Å; R93-W157 HydrophobicContact CB-CZ2 4.25Å; R93-W157 WeakPolarHBondContact O-CH2 3.44Å; Y95-W157 HydrophobicContact CD1-CH2 4.1Å; Y95-W157 HydrophobicContact CD1-CZ3 4.2Å; Y95-W157 HydrophobicContact CD2-CH2 4.26Å; Y95-W157 AromaticContact CE1-CH2 3.98Å; Y95-W157 HydrophobicContact CE1-CH2 3.98Å; Y95-W157 HydrophobicContact CE1-CZ2 4.46Å; Y95-W157 HydrophobicContact CE1-CZ3 4.4Å; Y95-W157 HydrophobicContact CE2-CH2 4.14Å; Y95-W157 HydrophobicContact CG-CH2 4.24Å; Y95-W157 HydrophobicContact CG-CZ3 4.46Å; Y95-W157 AromaticContact CZ-CH2 4Å; R98-W157 HydrophobicContact CB-CE3 4.3Å; R98-W157 HydrophobicContact CB-CZ3 4.39Å; R98-W157 HydrophobicContact CG-CE3 4.43Å; D135-W157 HydrophobicContact CB-CB 4.13Å; D135-W157 PolarHBondContact N-O 2.86Å; Q138-W157 HydrophobicContact CB-CB 4.37Å; Q138-W157 HydrophobicContact CB-CG 4.46Å; Q138-W157 PolarHBondContact NE2-O 3.2Å; Q138-W157 VanDerWaalsContact OE1-CD1 3.31Å; D147-W157 PolarHBondContact OD2-NE1 3.15Å
158	S	98.8	Very high	98	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.063	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.9	-178.9	-58.4	0	0	0	0	109	M101 R102 Y133	M101-S158 WeakPolarHBondContact CE-O 3.44Å; R102-S158 PolarHBondContact NE-OG 2.68Å; R102-S158 PolarHBondContact NH2-OG 2.83Å; R102-S158 VanDerWaalsContact NH2-OG 3.1Å; Y133-S158 CarbonylContact O-C 3.11Å; Y133-S158 WeakPolarHBondContact O-CA 3.24Å; Y133-S158 WeakPolarHBondContact O-CB 3.38Å
159	M	98.8	Very high	98	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	166.8	172.9	63.6	-172.1	177.1	0	0	110	C88 W89 D90 A132 Y133 D135 H136	C88-M159 HydrophobicContact CB-CE 4.21Å; C88-M159 HydrophobicContact CB-SD 3.86Å; W89-M159 VanDerWaalsContact O-CB 3.23Å; W89-M159 WeakPolarHBondContact O-CB 3.46Å; D90-M159 HydrophobicContact CB-SD 3.58Å; D90-M159 VanDerWaalsContact CB-SD 3.58Å; A132-M159 CarbonylContact C-O 3.54Å; A132-M159 VanDerWaalsContact CA-O 3.24Å; A132-M159 WeakPolarHBondContact CA-O 3.25Å; Y133-M159 HydrophobicContact CD1-CG 4.42Å; Y133-M159 WeakPolarHBondContact CD1-O 3.04Å; Y133-M159 HydrophobicContact CD2-CE 4.11Å; Y133-M159 HydrophobicContact CD2-CG 4.34Å; Y133-M159 HydrophobicContact CE1-CG 3.96Å; Y133-M159 HydrophobicContact CE2-CE 3.19Å; Y133-M159 HydrophobicContact CE2-CG 3.9Å; Y133-M159 HydrophobicContact CE2-SD 4.31Å; Y133-M159 PolarHBondContact N-O 2.87Å; Y133-M159 PolarHBondContact O-N 2.71Å; Y133-M159 WeakPolarHBondContact OH-CE 3.5Å; D135-M159 HydrophobicContact CB-CB 4.19Å; D135-M159 HydrophobicContact CB-CG 4.11Å; D135-M159 HydrophobicContact CB-SD 4.08Å; H136-M159 WeakPolarHBondContact CD2-CE 3.07Å
160	V	98.9	Very high	98	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	165.2	175	-67.6	0	0	0	0	108.7	C88 W89 M101 M104 I128 K130 A132 V162	C88-V160 CarbonylContact C-O 3.59Å; C88-V160 WeakPolarHBondContact CA-O 3.31Å; W89-V160 HydrophobicContact CB-CG2 4Å; W89-V160 PolarHBondContact N-O 2.91Å; M101-V160 HydrophobicContact CB-CG1 4.29Å; M101-V160 HydrophobicContact SD-CG2 4.41Å; M104-V160 HydrophobicContact CB-CG1 4.46Å; M104-V160 HydrophobicContact SD-CG1 4.04Å; M104-V160 HydrophobicContact SD-CG2 4Å; I128-V160 HydrophobicContact CD1-CG2 4.32Å; I128-V160 HydrophobicContact CG2-CB 4.47Å; K130-V160 WeakPolarHBondContact O-CB 3.33Å; A132-V160 HydrophobicContact CB-CG1 4.18Å; V160-V162 HydrophobicContact CG2-CG1 4.11Å
161	D	98.9	Very high	98.1	Very high	29 Å²	29	66 Å²	66	16%	0.155	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.8	165.1	-61.4	-15.7	0	0	0	109.5	T86 S87 C88 V129 K130 Y133	T86-D161 HydrophobicContact CG2-CB 4.35Å; S87-D161 WeakPolarHBondContact O-CA 3.34Å; C88-D161 WeakPolarHBondContact CA-OD1 3.42Å; C88-D161 WeakPolarHBondContact CB-OD1 3.25Å; V129-D161 HydrophobicContact CG2-CB 3.77Å; V129-D161 PolarHBondContact N-O 2.88Å; K130-D161 HydrophobicContact CB-CB 3.62Å; K130-D161 HydrophobicContact CD-CB 4.48Å; K130-D161 WeakPolarHBondContact CD-OD2 3.46Å; K130-D161 PolarHBondContact N-O 2.88Å; K130-D161 IonicContact NZ-OD2 2.71Å; K130-D161 PolarHBondContact O-N 3.16Å; Y133-D161 VanDerWaalsContact CE1-OD1 3.27Å; Y133-D161 WeakPolarHBondContact CE1-OD1 3.38Å; Y133-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y133-D161 PolarHBondContact OH-OD1 3.44Å
162	V	98.9	Very high	98.2	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.8	177.2	-54.4	0	0	0	0	110	L79 T86 S87 W89 M126 T127 I128 V160	L79-V162 HydrophobicContact CD1-CG2 4.35Å; L79-V162 HydrophobicContact CD2-CG2 4.33Å; T86-V162 VanDerWaalsContact CA-O 3.27Å; T86-V162 WeakPolarHBondContact CA-O 3.41Å; S87-V162 PolarHBondContact N-O 2.84Å; S87-V162 PolarHBondContact O-N 2.67Å; W89-V162 HydrophobicContact CB-CG1 4.45Å; W89-V162 HydrophobicContact CE3-CG1 4.23Å; W89-V162 HydrophobicContact CE3-CG2 3.51Å; W89-V162 HydrophobicContact CZ3-CG2 3.91Å; M126-V162 HydrophobicContact CB-CB 4.43Å; M126-V162 HydrophobicContact CE-CG1 4.15Å; M126-V162 HydrophobicContact CG-CB 4.25Å; M126-V162 HydrophobicContact SD-CB 3.83Å; M126-V162 HydrophobicContact SD-CG1 4.1Å; M126-V162 HydrophobicContact SD-CG2 3.67Å; T127-V162 CarbonylContact O-C 3.48Å; T127-V162 VanDerWaalsContact O-CA 3.31Å; T127-V162 WeakPolarHBondContact O-CA 3.27Å; I128-V162 HydrophobicContact CD1-CG1 3.81Å; V160-V162 HydrophobicContact CG2-CG1 4.11Å
163	Q	98.9	Very high	98.4	Very high	75 Å²	75	60.1 Å²	60.1	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.2	174.2	-175.9	174.1	49.7	0	0	109.6	D84 Q85 T86 M126 T127 V129 Q165	D84-Q163 WeakPolarHBondContact O-CG 3.23Å; D84-Q163 PolarHBondContact O-NE2 3.38Å; Q85-Q163 WeakPolarHBondContact O-CA 3.44Å; T86-Q163 WeakPolarHBondContact OG1-CG 3.47Å; M126-Q163 CarbonylContact C-O 3.55Å; M126-Q163 WeakPolarHBondContact CA-O 3.47Å; M126-Q163 VanDerWaalsContact CB-O 3.26Å; M126-Q163 WeakPolarHBondContact CB-O 3.5Å; T127-Q163 PolarHBondContact N-O 3.03Å; T127-Q163 PolarHBondContact O-N 2.89Å; V129-Q163 HydrophobicContact CB-CB 4.47Å; V129-Q163 HydrophobicContact CG1-CB 3.48Å; V129-Q163 VanDerWaalsContact CG1-CB 3.48Å; V129-Q163 HydrophobicContact CG2-CB 4.15Å; Q163-Q165 PolarHBondContact O-N 3.36Å
164	F	98.9	Very high	98.4	Very high	29 Å²	29	56.2 Å²	56.2	13%	0.127	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	136.8	171.5	173.2	-100.4	0	0	0	110.6	I76 L79 K80 Q85 R166 M167	I76-F164 HydrophobicContact CD1-CD2 4.28Å; I76-F164 HydrophobicContact CD1-CE2 4.13Å; I76-F164 HydrophobicContact CG1-CD2 4.17Å; I76-F164 HydrophobicContact CG1-CE2 4.29Å; L79-F164 HydrophobicContact CD2-CB 4.09Å; L79-F164 HydrophobicContact CG-CB 4.14Å; K80-F164 HydrophobicContact CD-CD2 4.03Å; K80-F164 HydrophobicContact CD-CE1 4.28Å; K80-F164 HydrophobicContact CD-CE2 3.55Å; K80-F164 HydrophobicContact CD-CZ 3.66Å; K80-F164 HydrophobicContact CG-CB 4.39Å; K80-F164 HydrophobicContact CG-CD1 3.88Å; K80-F164 HydrophobicContact CG-CD2 3.45Å; K80-F164 VanDerWaalsContact CG-CD2 3.45Å; K80-F164 HydrophobicContact CG-CE1 3.91Å; K80-F164 HydrophobicContact CG-CE2 3.5Å; K80-F164 VanDerWaalsContact CG-CE2 3.5Å; K80-F164 HydrophobicContact CG-CG 3.63Å; K80-F164 HydrophobicContact CG-CZ 3.71Å; Q85-F164 HydrophobicContact CB-CB 3.72Å; Q85-F164 PolarHBondContact O-N 2.85Å; F164-R166 VanDerWaalsContact CE2-C 3.44Å; F164-R166 VanDerWaalsContact CZ-C 3.47Å; F164-M167 HydrophobicContact CE2-CG 4.35Å; F164-M167 HydrophobicContact CE2-SD 3.91Å; F164-M167 HydrophobicContact CZ-CG 4.21Å; F164-M167 HydrophobicContact CZ-SD 4.31Å
165	Q	98.6	Very high	98.5	Very high	90 Å²	90	59.1 Å²	59.1	42%	0.421	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-54.6	174.9	-170.4	179	22.3	0	0	111.4	I125 Q163	I125-Q165 VanDerWaalsContact CG2-OE1 3.26Å; I125-Q165 WeakPolarHBondContact O-CB 3.36Å; I125-Q165 PolarHBondContact O-N 3.02Å; Q163-Q165 PolarHBondContact O-N 3.36Å
166	R	98.7	Very high	98.6	Very high	114 Å²	114	58.7 Å²	58.7	43%	0.43	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	159.7	177.5	59.3	172.5	-174.7	75.9	-2.8	112.1	G124 I125 F164	G124-R166 WeakPolarHBondContact CA-O 3.3Å; I125-R166 HydrophobicContact CB-CG 4.43Å; I125-R166 VanDerWaalsContact CD1-CZ 3.48Å; I125-R166 PolarHBondContact N-O 3.38Å; I125-R166 PolarHBondContact O-N 3.18Å; F164-R166 VanDerWaalsContact CE2-C 3.44Å; F164-R166 VanDerWaalsContact CZ-C 3.47Å
167	M	98.7	Very high	98.5	Very high	71 Å²	71	57.4 Å²	57.4	35%	0.35	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	159.5	163.4	-60.1	-58.5	-76.8	0	0	110.9	I76 K80 F164	I76-M167 HydrophobicContact CD1-SD 3.84Å; I76-M167 HydrophobicContact CG1-SD 4.33Å; I76-M167 HydrophobicContact CG2-CE 3.87Å; I76-M167 HydrophobicContact CG2-SD 4Å; K80-M167 HydrophobicContact CD-SD 3.97Å; F164-M167 HydrophobicContact CE2-CG 4.35Å; F164-M167 HydrophobicContact CE2-SD 3.91Å; F164-M167 HydrophobicContact CZ-CG 4.21Å; F164-M167 HydrophobicContact CZ-SD 4.31Å
168	M	98.4	Very high	98.5	Very high	46 Å²	46	62.2 Å²	62.2	23%	0.227	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	153.7	161.7	-65.3	-55.9	-78.3	0	0	109.9	F111 I122 A123 I125 R170 V172	F111-M168 HydrophobicContact CD1-SD 4.36Å; F111-M168 HydrophobicContact CE1-CE 4.15Å; F111-M168 HydrophobicContact CE1-SD 4.01Å; I122-M168 HydrophobicContact CG2-CG 3.93Å; I122-M168 HydrophobicContact CG2-SD 4.38Å; A123-M168 PolarHBondContact O-N 2.75Å; I125-M168 HydrophobicContact CD1-SD 4.18Å; I125-M168 HydrophobicContact CG1-SD 3.88Å; M168-R170 WeakPolarHBondContact CB-O 3.1Å; M168-R170 PolarHBondContact O-N 3.17Å; M168-V172 HydrophobicContact CE-CG2 4.18Å
169	K	97.9	Very high	98.5	Very high	218 Å²	218	66.4 Å²	66.4	95%	0.948	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	-34.1	175.6	-70.2	-174.6	177.6	-178.1	0	111.9
170	R	98.3	Very high	98.4	Very high	138 Å²	138	69.7 Å²	69.7	52%	0.521	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	154.3	167.7	63.4	175.7	-179.8	80.7	-5	108.1	M168 V172 E176	M168-R170 WeakPolarHBondContact CB-O 3.1Å; M168-R170 PolarHBondContact O-N 3.17Å; R170-V172 PolarHBondContact O-N 3.39Å; R170-E176 IonicContact CZ-OE1 3.12Å; R170-E176 IonicContact CZ-OE2 3.37Å; R170-E176 IonicContact NH1-OE1 2.67Å; R170-E176 PolarHBondContact NH1-OE1 3.31Å; R170-E176 IonicContact NH1-OE2 2.69Å; R170-E176 PolarHBondContact NH1-OE2 3.42Å; R170-E176 VanDerWaalsContact NH2-CD 3.33Å; R170-E176 IonicContact NH2-OE1 3.75Å; R170-E176 PolarHBondContact NH2-OE1 2.79Å; R170-E176 IonicContact NH2-OE2 3.64Å; R170-E176 PolarHBondContact NH2-OE2 3.5Å
171	F	98.4	Very high	98.3	Very high	69 Å²	69	70 Å²	70	30%	0.303	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	138.6	168.5	-173.1	-107.7	0	0	0	110.1	E119 G121 I122 A123 P173	E119-F171 HydrophobicContact CB-CE1 4.45Å; E119-F171 VanDerWaalsContact O-CZ 3.26Å; E119-F171 WeakPolarHBondContact O-CZ 3.41Å; G121-F171 VanDerWaalsContact CA-CZ 3.4Å; I122-F171 WeakPolarHBondContact O-CD2 3.26Å; A123-F171 HydrophobicContact CB-CD2 4.29Å; A123-F171 HydrophobicContact CB-CE2 4.2Å; F171-P173 HydrophobicContact CD1-CB 4.14Å; F171-P173 HydrophobicContact CE1-CB 3.98Å; F171-P173 WeakPolarHBondContact O-CD 3.36Å
172	V	98.6	Very high	98.3	Very high	19 Å²	19	73.1 Å²	73.1	12%	0.115	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	96.6	177.1	-172.1	0	0	0	0	108.2	G121 I122 M168 R170 L177	G121-V172 CarbonylContact C-O 3.54Å; G121-V172 WeakPolarHBondContact CA-O 3.34Å; I122-V172 HydrophobicContact CB-CB 4.23Å; I122-V172 PolarHBondContact N-O 2.86Å; I122-V172 PolarHBondContact O-N 2.87Å; I122-V172 VanDerWaalsContact O-N 3.12Å; M168-V172 HydrophobicContact CE-CG2 4.18Å; R170-V172 PolarHBondContact O-N 3.39Å; V172-L177 HydrophobicContact CG1-CD1 4.48Å; V172-L177 HydrophobicContact CG1-CD2 3.74Å; V172-L177 HydrophobicContact CG1-CG 3.92Å
173	P	98.6	Very high	98.3	Very high	21 Å²	21	77.1 Å²	77.1	14%	0.136	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	154.4	-173.4	29.9	-35.9	0	0	0	112.3	F171 W175 E176 L177	F171-P173 HydrophobicContact CD1-CB 4.14Å; F171-P173 HydrophobicContact CE1-CB 3.98Å; F171-P173 WeakPolarHBondContact O-CD 3.36Å; P173-W175 HydrophobicContact CB-CG 4.36Å; P173-W175 HydrophobicContact CG-CD2 4.23Å; P173-W175 VanDerWaalsContact CG-CE2 3.47Å; P173-W175 HydrophobicContact CG-CG 4.34Å; P173-W175 HydrophobicContact CG-CZ2 3.83Å; P173-W175 PolarHBondContact O-N 3.27Å; P173-E176 HydrophobicContact CG-CB 3.99Å; P173-E176 PolarHBondContact O-N 3.1Å; P173-E176 VanDerWaalsContact O-N 3.14Å; P173-L177 PolarHBondContact O-N 2.8Å
174	L	98.4	Very high	98.2	Very high	54 Å²	54	75.5 Å²	75.5	28%	0.283	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-36.2	-179.7	177.4	59.6	0	0	0	112.9	Y113 P120 E176 L177 K178 L196 F197	Y113-L174 WeakPolarHBondContact OH-CD1 3.44Å; P120-L174 HydrophobicContact CB-CB 4.29Å; P120-L174 HydrophobicContact CB-CD2 4.36Å; P120-L174 HydrophobicContact CG-CB 3.97Å; P120-L174 HydrophobicContact CG-CD2 3.97Å; P120-L174 WeakPolarHBondContact O-CB 3.39Å; P120-L174 PolarHBondContact O-N 2.74Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.09Å; L174-L177 PolarHBondContact O-N 3.22Å; L174-K178 WeakPolarHBondContact O-CB 3.49Å; L174-K178 PolarHBondContact O-N 2.79Å; L174-L196 HydrophobicContact CD1-CD2 4.05Å; L174-L196 HydrophobicContact CD1-CG 4.28Å; L174-F197 HydrophobicContact CD1-CE1 3.46Å; L174-F197 VanDerWaalsContact CD1-CE1 3.46Å; L174-F197 HydrophobicContact CD1-CZ 3.7Å; L174-F197 HydrophobicContact CG-CE1 4.42Å
175	W	98.1	Very high	98	Very high	166 Å²	166	81.9 Å²	81.9	63%	0.629	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-39	-179.6	68.1	-104.2	0	0	0	111.7	P173 K178 E179	P173-W175 HydrophobicContact CB-CG 4.36Å; P173-W175 HydrophobicContact CG-CD2 4.23Å; P173-W175 VanDerWaalsContact CG-CE2 3.47Å; P173-W175 HydrophobicContact CG-CG 4.34Å; P173-W175 HydrophobicContact CG-CZ2 3.83Å; P173-W175 PolarHBondContact O-N 3.27Å; W175-K178 WeakPolarHBondContact O-CB 3.2Å; W175-K178 PolarHBondContact O-N 3.23Å; W175-E179 PolarHBondContact O-N 2.9Å
176	E	98.3	Very high	98	Very high	26 Å²	26	81.4 Å²	81.4	12%	0.121	37%	0.372	C	S	.	.	H	α-helix	trans	-69	-44.6	178.9	-177.4	-171.3	143	0	0	110.4	R170 P173 L174 K178 E179 H180	R170-E176 IonicContact CZ-OE1 3.12Å; R170-E176 IonicContact CZ-OE2 3.37Å; R170-E176 IonicContact NH1-OE1 2.67Å; R170-E176 PolarHBondContact NH1-OE1 3.31Å; R170-E176 IonicContact NH1-OE2 2.69Å; R170-E176 PolarHBondContact NH1-OE2 3.42Å; R170-E176 VanDerWaalsContact NH2-CD 3.33Å; R170-E176 IonicContact NH2-OE1 3.75Å; R170-E176 PolarHBondContact NH2-OE1 2.79Å; R170-E176 IonicContact NH2-OE2 3.64Å; R170-E176 PolarHBondContact NH2-OE2 3.5Å; P173-E176 HydrophobicContact CG-CB 3.99Å; P173-E176 PolarHBondContact O-N 3.1Å; P173-E176 VanDerWaalsContact O-N 3.14Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.09Å; E176-K178 PolarHBondContact O-N 3.41Å; E176-E179 PolarHBondContact O-N 2.84Å; E176-H180 PolarHBondContact O-CD2 3.35Å; E176-H180 VanDerWaalsContact O-CD2 3.29Å; E176-H180 PolarHBondContact O-N 2.7Å; E176-H180 VanDerWaalsContact O-N 3.07Å
177	L	97.8	Very high	97.9	Very high	21 Å²	21	82.7 Å²	82.7	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-58.2	-37.4	173.7	-66.1	172.7	0	0	0	111.4	Y113 I122 V172 P173 L174 H181 L196 F197	Y113-L177 HydrophobicContact CE2-CD1 4.41Å; I122-L177 HydrophobicContact CD1-CD1 3.87Å; I122-L177 HydrophobicContact CD1-CD2 4.23Å; I122-L177 HydrophobicContact CG1-CD1 4.05Å; V172-L177 HydrophobicContact CG1-CD1 4.48Å; V172-L177 HydrophobicContact CG1-CD2 3.74Å; V172-L177 HydrophobicContact CG1-CG 3.92Å; P173-L177 PolarHBondContact O-N 2.8Å; L174-L177 PolarHBondContact O-N 3.22Å; L177-H181 WeakPolarHBondContact O-CB 3.45Å; L177-H181 PolarHBondContact O-N 3.15Å; L177-L196 HydrophobicContact CB-CD2 4.38Å; L177-L196 HydrophobicContact CD1-CD2 3.7Å; L177-F197 VanDerWaalsContact C-CZ 3.42Å; L177-F197 HydrophobicContact CB-CE2 3.99Å; L177-F197 HydrophobicContact CB-CZ 3.7Å; L177-F197 VanDerWaalsContact O-CE2 3.28Å; L177-F197 WeakPolarHBondContact O-CE2 3.32Å
178	K	97.9	Very high	97.6	Very high	112 Å²	112	81.4 Å²	81.4	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-69.6	-41.8	179.5	-171.5	179.5	-179.7	-176.9	0	111.2	L174 W175 E176 H181 L182 F197	L174-K178 WeakPolarHBondContact O-CB 3.49Å; L174-K178 PolarHBondContact O-N 2.79Å; W175-K178 WeakPolarHBondContact O-CB 3.2Å; W175-K178 PolarHBondContact O-N 3.23Å; E176-K178 PolarHBondContact O-N 3.41Å; K178-H181 WeakPolarHBondContact O-CB 3.36Å; K178-H181 PolarHBondContact O-N 3.39Å; K178-L182 HydrophobicContact CG-CD1 4.33Å; K178-L182 VanDerWaalsContact O-CG 3.31Å; K178-L182 WeakPolarHBondContact O-CG 3.46Å; K178-L182 PolarHBondContact O-N 2.69Å; K178-F197 HydrophobicContact CB-CD1 4.41Å; K178-F197 HydrophobicContact CB-CE1 3.58Å; K178-F197 HydrophobicContact CB-CZ 3.69Å; K178-F197 HydrophobicContact CG-CD1 4.29Å; K178-F197 HydrophobicContact CG-CE1 3.92Å; K178-F197 HydrophobicContact CG-CZ 4.4Å
179	E	98.4	Very high	97.3	Very high	96 Å²	96	80.6 Å²	80.6	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-58.5	-51.4	175.7	-176.7	173.5	-173	0	0	111	W175 E176 H181 L182 Q183	W175-E179 PolarHBondContact O-N 2.9Å; E176-E179 PolarHBondContact O-N 2.84Å; E179-H181 VanDerWaalsContact C-N 3.33Å; E179-H181 PolarHBondContact O-N 2.94Å; E179-L182 PolarHBondContact O-N 3.32Å; E179-Q183 WeakPolarHBondContact O-CG 3.43Å; E179-Q183 PolarHBondContact O-N 3.29Å
180	H	97.6	Very high	97.1	Very high	69 Å²	69	73.3 Å²	73.3	32%	0.319	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-38.6	176.3	-71.8	-60.3	0	0	0	113	E176 Q183 H184 L191	E176-H180 PolarHBondContact O-CD2 3.35Å; E176-H180 VanDerWaalsContact O-CD2 3.29Å; E176-H180 PolarHBondContact O-N 2.7Å; E176-H180 VanDerWaalsContact O-N 3.07Å; H180-Q183 PolarHBondContact O-N 2.68Å; H180-H184 WeakPolarHBondContact O-CB 3.45Å; H180-H184 PolarHBondContact O-N 3.25Å; H180-H184 PolarHBondContact O-ND1 3.29Å; H180-L191 HydrophobicContact CB-CD1 3.71Å
181	H	96.9	Very high	96.9	Very high	7 Å²	7	67.9 Å²	67.9	3%	0.032	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-46.5	174.2	168.3	71.8	0	0	0	112	L177 K178 E179 H184 R185 L191 K192 F197	L177-H181 WeakPolarHBondContact O-CB 3.45Å; L177-H181 PolarHBondContact O-N 3.15Å; K178-H181 WeakPolarHBondContact O-CB 3.36Å; K178-H181 PolarHBondContact O-N 3.39Å; E179-H181 VanDerWaalsContact C-N 3.33Å; E179-H181 PolarHBondContact O-N 2.94Å; H181-H184 PolarHBondContact O-N 3.5Å; H181-R185 WeakPolarHBondContact CE1-CD 3.48Å; H181-R185 WeakPolarHBondContact NE2-CD 3.5Å; H181-R185 WeakPolarHBondContact O-CB 3.4Å; H181-R185 WeakPolarHBondContact O-CG 3.39Å; H181-R185 PolarHBondContact O-N 3.4Å; H181-L191 PolarHBondContact ND1-O 3.28Å; H181-K192 PolarHBondContact CE1-O 3.4Å; H181-K192 PolarHBondContact ND1-O 3.26Å; H181-F197 HydrophobicContact CB-CD2 3.38Å; H181-F197 HydrophobicContact CB-CE2 3.61Å; H181-F197 HydrophobicContact CB-CG 4.25Å; H181-F197 AromaticContact CD2-CD2 3.67Å; H181-F197 AromaticContact CD2-CG 3.69Å; H181-F197 AromaticContact CG-CD2 3.34Å; H181-F197 AromaticContact CG-CG 3.86Å; H181-F197 AromaticContact ND1-CD2 3.83Å; H181-F197 WeakPolarHBondContact NE2-CB 3.45Å
182	L	98.1	Very high	96.7	Very high	95 Å²	95	69.1 Å²	69.1	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-42.2	179	-68.7	173.7	0	0	0	111.8	K178 E179 R185 A186	K178-L182 HydrophobicContact CG-CD1 4.33Å; K178-L182 VanDerWaalsContact O-CG 3.31Å; K178-L182 WeakPolarHBondContact O-CG 3.46Å; K178-L182 PolarHBondContact O-N 2.69Å; E179-L182 PolarHBondContact O-N 3.32Å; L182-R185 PolarHBondContact O-N 3.12Å; L182-A186 PolarHBondContact O-N 3.39Å; L182-A186 VanDerWaalsContact O-N 3.12Å
183	Q	98.1	Very high	96.5	Very high	83 Å²	83	73.6 Å²	73.6	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-48.1	174.1	-70.1	172.3	-2.3	0	0	111.5	E179 H180 R185 A186 N187	E179-Q183 WeakPolarHBondContact O-CG 3.43Å; E179-Q183 PolarHBondContact O-N 3.29Å; H180-Q183 PolarHBondContact O-N 2.68Å; Q183-R185 VanDerWaalsContact C-N 3.31Å; Q183-R185 PolarHBondContact O-N 2.88Å; Q183-A186 PolarHBondContact O-N 3.44Å; Q183-N187 WeakPolarHBondContact O-CB 3.26Å; Q183-N187 PolarHBondContact O-N 2.95Å
184	H	96.9	Very high	96.3	Very high	42 Å²	42	73.4 Å²	73.4	19%	0.194	38%	0.379	C	S	.	.	H	α-helix	trans	-68	-28.8	178.2	-66.7	163.4	0	0	0	113	H180 H181 G188 L191 K192	H180-H184 WeakPolarHBondContact O-CB 3.45Å; H180-H184 PolarHBondContact O-N 3.25Å; H180-H184 PolarHBondContact O-ND1 3.29Å; H181-H184 PolarHBondContact O-N 3.5Å; H184-G188 CarbonylContact O-C 3.57Å; H184-G188 WeakPolarHBondContact O-CA 3.49Å; H184-G188 PolarHBondContact O-N 3.39Å; H184-L191 HydrophobicContact CB-CB 4.49Å; H184-L191 VanDerWaalsContact ND1-CB 3.31Å; H184-L191 WeakPolarHBondContact ND1-CB 3.2Å; H184-L191 PolarHBondContact ND1-N 3.22Å; H184-L191 VanDerWaalsContact ND1-N 3.17Å; H184-K192 HydrophobicContact CB-CB 4.11Å; H184-K192 VanDerWaalsContact O-CB 3.3Å; H184-K192 WeakPolarHBondContact O-CB 3.22Å
185	R	96.2	Very high	96.1	Very high	162 Å²	162	71.5 Å²	71.5	61%	0.611	37%	0.371	S	S	*	.	H	α-helix	trans	-67.1	-37.7	172.6	-83.3	-168.1	71.8	-176.6	6	112.6	H181 L182 Q183 K192	H181-R185 WeakPolarHBondContact CE1-CD 3.48Å; H181-R185 WeakPolarHBondContact NE2-CD 3.5Å; H181-R185 WeakPolarHBondContact O-CB 3.4Å; H181-R185 WeakPolarHBondContact O-CG 3.39Å; H181-R185 PolarHBondContact O-N 3.4Å; L182-R185 PolarHBondContact O-N 3.12Å; Q183-R185 VanDerWaalsContact C-N 3.31Å; Q183-R185 PolarHBondContact O-N 2.88Å; R185-K192 HydrophobicContact CG-CB 4.26Å; R185-K192 WeakPolarHBondContact CG-O 3.42Å
186	A	97.1	Very high	96	Very high	81 Å²	81	64.2 Å²	64.2	67%	0.669	34%	0.344	S	S	*	.	H	α-helix	trans	-76	-43.4	178.4	0	0	0	0	0	112.2	L182 Q183	L182-A186 PolarHBondContact O-N 3.39Å; L182-A186 VanDerWaalsContact O-N 3.12Å; Q183-A186 PolarHBondContact O-N 3.44Å
187	N	96.4	Very high	95.9	Very high	141 Å²	141	65.6 Å²	65.6	75%	0.754	35%	0.35	S	S	*	.	H	α-helix	trans	-107.8	-1.8	-166.6	-58.3	-32.3	0	0	0	114	Q183	Q183-N187 WeakPolarHBondContact O-CB 3.26Å; Q183-N187 PolarHBondContact O-N 2.95Å
188	G	93.9	Very high	95.8	Very high	43 Å²	43	67.6 Å²	67.6	44%	0.443	36%	0.363	S	S	.	.			trans	77.8	151.2	-162.9	0	0	0	0	0	111.6	H184	H184-G188 CarbonylContact O-C 3.57Å; H184-G188 WeakPolarHBondContact O-CA 3.49Å; H184-G188 PolarHBondContact O-N 3.39Å
189	G	92.4	Very high	95.6	Very high	29 Å²	29	69.4 Å²	69.4	30%	0.299	37%	0.367	S	S	.	.			trans	155.8	171.9	178.6	0	0	0	0	0	112.9	L191 K192	G189-L191 VanDerWaalsContact C-N 3.28Å; G189-L191 PolarHBondContact O-N 3.3Å; G189-K192 WeakPolarHBondContact O-CB 3.32Å; G189-K192 VanDerWaalsContact O-CG 3.31Å; G189-K192 WeakPolarHBondContact O-CG 3.28Å; G189-K192 PolarHBondContact O-N 3.07Å
190	P	92.3	Very high	94.9	Very high	65 Å²	65	69 Å²	69	42%	0.422	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.5	-169.6	26.1	-35.4	0	0	0	114.1	L211	P190-L211 HydrophobicContact CB-CD2 4.03Å; P190-L211 HydrophobicContact CB-CG 4.12Å; P190-L211 HydrophobicContact CG-CD2 4.47Å
191	L	94.2	Very high	94.6	Very high	25 Å²	25	76.9 Å²	76.9	13%	0.131	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	3.7	-179.8	-56.3	172.4	0	0	0	114	H180 H181 H184 G189 D193 V194 L211	H180-L191 HydrophobicContact CB-CD1 3.71Å; H181-L191 PolarHBondContact ND1-O 3.28Å; H184-L191 HydrophobicContact CB-CB 4.49Å; H184-L191 VanDerWaalsContact ND1-CB 3.31Å; H184-L191 WeakPolarHBondContact ND1-CB 3.2Å; H184-L191 PolarHBondContact ND1-N 3.22Å; H184-L191 VanDerWaalsContact ND1-N 3.17Å; G189-L191 VanDerWaalsContact C-N 3.28Å; G189-L191 PolarHBondContact O-N 3.3Å; L191-D193 PolarHBondContact O-N 3.23Å; L191-D193 VanDerWaalsContact O-N 3.16Å; L191-V194 HydrophobicContact CB-CB 4.5Å; L191-V194 HydrophobicContact CB-CG1 4.27Å; L191-V194 HydrophobicContact CD2-CB 4.28Å; L191-V194 HydrophobicContact CD2-CG1 4.49Å; L191-V194 HydrophobicContact CD2-CG2 4.32Å; L191-V194 WeakPolarHBondContact O-CG1 3.35Å; L191-V194 PolarHBondContact O-N 3.3Å; L191-L211 HydrophobicContact CD2-CD1 3.93Å; L191-L211 HydrophobicContact CD2-CD2 3.42Å; L191-L211 VanDerWaalsContact CD2-CD2 3.42Å; L191-L211 HydrophobicContact CD2-CG 4.3Å; L191-L211 HydrophobicContact CG-CD2 4.13Å
192	K	94.9	Very high	94.6	Very high	95 Å²	95	76.7 Å²	76.7	41%	0.413	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.2	-172.9	71.7	179.5	-177.5	170.2	0	113.4	H181 H184 R185 G189	H181-K192 PolarHBondContact CE1-O 3.4Å; H181-K192 PolarHBondContact ND1-O 3.26Å; H184-K192 HydrophobicContact CB-CB 4.11Å; H184-K192 VanDerWaalsContact O-CB 3.3Å; H184-K192 WeakPolarHBondContact O-CB 3.22Å; R185-K192 HydrophobicContact CG-CB 4.26Å; R185-K192 WeakPolarHBondContact CG-O 3.42Å; G189-K192 WeakPolarHBondContact O-CB 3.32Å; G189-K192 VanDerWaalsContact O-CG 3.31Å; G189-K192 WeakPolarHBondContact O-CG 3.28Å; G189-K192 PolarHBondContact O-N 3.07Å
193	D	93.4	Very high	94.6	Very high	112 Å²	112	73.9 Å²	73.9	60%	0.599	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	13.8	-176.3	-63.6	-44.6	0	0	0	113.2	L191 A195 T198	L191-D193 PolarHBondContact O-N 3.23Å; L191-D193 VanDerWaalsContact O-N 3.16Å; D193-A195 PolarHBondContact O-N 3.14Å; D193-T198 PolarHBondContact O-OG1 2.82Å
194	V	94.1	Very high	94.6	Very high	17 Å²	17	70 Å²	70	10%	0.103	38%	0.376	C	S	.	.			trans	-57.7	130.5	-173.2	71.4	0	0	0	0	111.7	L191 L196 F197 T198 L207	L191-V194 HydrophobicContact CB-CB 4.5Å; L191-V194 HydrophobicContact CB-CG1 4.27Å; L191-V194 HydrophobicContact CD2-CB 4.28Å; L191-V194 HydrophobicContact CD2-CG1 4.49Å; L191-V194 HydrophobicContact CD2-CG2 4.32Å; L191-V194 WeakPolarHBondContact O-CG1 3.35Å; L191-V194 PolarHBondContact O-N 3.3Å; V194-L196 HydrophobicContact CG1-CB 4.38Å; V194-L196 HydrophobicContact CG2-CB 4.31Å; V194-L196 PolarHBondContact O-N 2.97Å; V194-F197 HydrophobicContact CG1-CD2 3.5Å; V194-F197 VanDerWaalsContact CG1-CD2 3.5Å; V194-F197 HydrophobicContact CG1-CE2 4.05Å; V194-F197 PolarHBondContact O-N 3.24Å; V194-F197 VanDerWaalsContact O-N 3.12Å; V194-T198 PolarHBondContact O-N 3.12Å; V194-T198 PolarHBondContact O-OG1 2.97Å; V194-L207 HydrophobicContact CG2-CD2 4.14Å
195	A	95.1	Very high	94.7	Very high	14 Å²	14	68 Å²	68	12%	0.116	37%	0.367	C	S	.	.	H	α-helix	trans	-58.9	-22.1	-175.2	0	0	0	0	0	113.5	D193 F197 T198 R199 L202 Q205	D193-A195 PolarHBondContact O-N 3.14Å; A195-F197 PolarHBondContact O-N 3.2Å; A195-T198 WeakPolarHBondContact CA-OG1 3.31Å; A195-R199 HydrophobicContact CB-CB 4.49Å; A195-R199 HydrophobicContact CB-CG 4.47Å; A195-R199 CarbonylContact O-C 3.49Å; A195-R199 WeakPolarHBondContact O-CA 3.37Å; A195-R199 WeakPolarHBondContact O-CB 3.36Å; A195-R199 PolarHBondContact O-N 2.94Å; A195-L202 HydrophobicContact CB-CD2 4.47Å; A195-Q205 VanDerWaalsContact C-OE1 3.31Å; A195-Q205 HydrophobicContact CB-CB 4.01Å; A195-Q205 HydrophobicContact CB-CG 4.14Å; A195-Q205 PolarHBondContact O-NE2 2.92Å
196	L	96.5	Very high	94.6	Very high	14 Å²	14	61.1 Å²	61.1	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-56.8	-35.8	177.7	-174.2	60	0	0	0	112.1	L57 Y113 L174 L177 V194	L57-L196 HydrophobicContact CD1-CD2 4.48Å; Y113-L196 HydrophobicContact CD2-CD1 4.37Å; Y113-L196 HydrophobicContact CE2-CD1 3.89Å; Y113-L196 HydrophobicContact CE2-CD2 3.94Å; L174-L196 HydrophobicContact CD1-CD2 4.05Å; L174-L196 HydrophobicContact CD1-CG 4.28Å; L177-L196 HydrophobicContact CB-CD2 4.38Å; L177-L196 HydrophobicContact CD1-CD2 3.7Å; V194-L196 HydrophobicContact CG1-CB 4.38Å; V194-L196 HydrophobicContact CG2-CB 4.31Å; V194-L196 PolarHBondContact O-N 2.97Å
197	F	96.4	Very high	94.4	Very high	54 Å²	54	57.7 Å²	57.7	24%	0.237	31%	0.314	C	S	.	.	H	α-helix	trans	-108.3	-20.6	-178.9	-58.8	-65.8	0	0	0	114	L174 L177 K178 H181 V194 A195	L174-F197 HydrophobicContact CD1-CE1 3.46Å; L174-F197 VanDerWaalsContact CD1-CE1 3.46Å; L174-F197 HydrophobicContact CD1-CZ 3.7Å; L174-F197 HydrophobicContact CG-CE1 4.42Å; L177-F197 VanDerWaalsContact C-CZ 3.42Å; L177-F197 HydrophobicContact CB-CE2 3.99Å; L177-F197 HydrophobicContact CB-CZ 3.7Å; L177-F197 VanDerWaalsContact O-CE2 3.28Å; L177-F197 WeakPolarHBondContact O-CE2 3.32Å; K178-F197 HydrophobicContact CB-CD1 4.41Å; K178-F197 HydrophobicContact CB-CE1 3.58Å; K178-F197 HydrophobicContact CB-CZ 3.69Å; K178-F197 HydrophobicContact CG-CD1 4.29Å; K178-F197 HydrophobicContact CG-CE1 3.92Å; K178-F197 HydrophobicContact CG-CZ 4.4Å; H181-F197 HydrophobicContact CB-CD2 3.38Å; H181-F197 HydrophobicContact CB-CE2 3.61Å; H181-F197 HydrophobicContact CB-CG 4.25Å; H181-F197 AromaticContact CD2-CD2 3.67Å; H181-F197 AromaticContact CD2-CG 3.69Å; H181-F197 AromaticContact CG-CD2 3.34Å; H181-F197 AromaticContact CG-CG 3.86Å; H181-F197 AromaticContact ND1-CD2 3.83Å; H181-F197 WeakPolarHBondContact NE2-CB 3.45Å; V194-F197 HydrophobicContact CG1-CD2 3.5Å; V194-F197 VanDerWaalsContact CG1-CD2 3.5Å; V194-F197 HydrophobicContact CG1-CE2 4.05Å; V194-F197 PolarHBondContact O-N 3.24Å; V194-F197 VanDerWaalsContact O-N 3.12Å; A195-F197 PolarHBondContact O-N 3.2Å
198	T	94.9	Very high	93.6	Very high	64 Å²	64	54.7 Å²	54.7	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-93.8	-17.1	179.8	63	0	0	0	0	113.2	D193 V194 A195	D193-T198 PolarHBondContact O-OG1 2.82Å; V194-T198 PolarHBondContact O-N 3.12Å; V194-T198 PolarHBondContact O-OG1 2.97Å; A195-T198 WeakPolarHBondContact CA-OG1 3.31Å
199	R	94.6	Very high	92.1	Very high	150 Å²	150	57 Å²	57	57%	0.566	31%	0.308	S	S	*	.			trans	-136.1	76.8	-177.8	-57.1	-65.5	-179.4	-170.1	1.4	111.3	A195 R201 L202	A195-R199 HydrophobicContact CB-CB 4.49Å; A195-R199 HydrophobicContact CB-CG 4.47Å; A195-R199 CarbonylContact O-C 3.49Å; A195-R199 WeakPolarHBondContact O-CA 3.37Å; A195-R199 WeakPolarHBondContact O-CB 3.36Å; A195-R199 PolarHBondContact O-N 2.94Å; R199-R201 VanDerWaalsContact C-N 3.3Å; R199-R201 PolarHBondContact O-N 3.28Å; R199-R201 VanDerWaalsContact O-N 3.15Å; R199-L202 HydrophobicContact CB-CB 3.91Å; R199-L202 HydrophobicContact CB-CD2 4.21Å; R199-L202 PolarHBondContact O-N 2.67Å
200	A	83.5	Confident	90.5	Very high	86 Å²	86	59.2 Å²	59.2	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.5	-172.5	0	0	0	0	0	114.9
201	R	90.7	Very high	88.7	Confident	235 Å²	235	59.6 Å²	59.6	89%	0.887	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	21.6	-174.9	-59.9	-174.6	-179.2	-173.7	-0.2	114.5	R199	R199-R201 VanDerWaalsContact C-N 3.3Å; R199-R201 PolarHBondContact O-N 3.28Å; R199-R201 VanDerWaalsContact O-N 3.15Å
202	L	97.3	Very high	88.4	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	34%	0.338	C	S	.	.			trans	-104.1	115.4	177.3	-172.5	69.6	0	0	0	109.8	K59 Q96 A97 F100 A195 R199 V204 Q205	K59-L202 WeakPolarHBondContact CE-O 3.37Å; K59-L202 PolarHBondContact NZ-O 2.69Å; Q96-L202 HydrophobicContact CB-CD1 3.97Å; Q96-L202 HydrophobicContact CG-CD1 3.98Å; A97-L202 HydrophobicContact CB-CD1 3.88Å; F100-L202 HydrophobicContact CD2-CD1 4.44Å; F100-L202 HydrophobicContact CD2-CD2 4.26Å; F100-L202 HydrophobicContact CE2-CD1 4.46Å; F100-L202 HydrophobicContact CE2-CD2 3.8Å; A195-L202 HydrophobicContact CB-CD2 4.47Å; R199-L202 HydrophobicContact CB-CB 3.91Å; R199-L202 HydrophobicContact CB-CD2 4.21Å; R199-L202 PolarHBondContact O-N 2.67Å; L202-V204 VanDerWaalsContact CG-O 3.25Å; L202-V204 WeakPolarHBondContact CG-O 3.42Å; L202-Q205 HydrophobicContact CB-CG 4.46Å; L202-Q205 HydrophobicContact CD2-CG 4.05Å; L202-Q205 HydrophobicContact CG-CG 4.11Å; L202-Q205 PolarHBondContact O-NE2 3.24Å
203	S	97.9	Very high	88.1	Confident	36 Å²	36	59.5 Å²	59.5	25%	0.252	33%	0.334	S	S	.	.	S	Bend	trans	-87.2	-26.9	-176.8	54.5	0	0	0	0	114.1	L58 K59	L58-S203 WeakPolarHBondContact CA-O 3.05Å; K59-S203 PolarHBondContact N-O 3.24Å
204	V	98.4	Very high	87.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.9	174.4	-179.2	0	0	0	0	108.3	L58 V92 A97 F100 M101 M104 L202	L58-V204 HydrophobicContact CG-CG1 4.29Å; L58-V204 HydrophobicContact CG-CG2 4.23Å; V92-V204 HydrophobicContact CG2-CG2 4.09Å; A97-V204 HydrophobicContact CB-CB 3.86Å; A97-V204 HydrophobicContact CB-CG2 4.11Å; F100-V204 HydrophobicContact CB-CG1 4Å; F100-V204 WeakPolarHBondContact CD2-O 3.27Å; M101-V204 HydrophobicContact CG-CB 4.31Å; M101-V204 HydrophobicContact CG-CG1 3.83Å; M101-V204 HydrophobicContact CG-CG2 3.88Å; M101-V204 HydrophobicContact SD-CG2 4.07Å; M104-V204 HydrophobicContact CE-CG1 3.4Å; L202-V204 VanDerWaalsContact CG-O 3.25Å; L202-V204 WeakPolarHBondContact CG-O 3.42Å
205	Q	97.4	Very high	87.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.8	-168.8	-54.3	-170.1	-11.2	0	0	110.6	W56 L57 A195 L202	W56-Q205 CarbonylContact C-O 3.54Å; W56-Q205 WeakPolarHBondContact CA-O 3.45Å; L57-Q205 HydrophobicContact CB-CB 4.33Å; L57-Q205 HydrophobicContact CD2-CG 4.37Å; L57-Q205 PolarHBondContact N-O 3.45Å; L57-Q205 PolarHBondContact O-N 3.47Å; A195-Q205 VanDerWaalsContact C-OE1 3.31Å; A195-Q205 HydrophobicContact CB-CB 4.01Å; A195-Q205 HydrophobicContact CB-CG 4.14Å; A195-Q205 PolarHBondContact O-NE2 2.92Å; L202-Q205 HydrophobicContact CB-CG 4.46Å; L202-Q205 HydrophobicContact CD2-CG 4.05Å; L202-Q205 HydrophobicContact CG-CG 4.11Å; L202-Q205 PolarHBondContact O-NE2 3.24Å
206	P	95.4	Very high	86.9	Confident	19 Å²	19	61.8 Å²	61.8	12%	0.123	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	148	167.7	31.8	-35.1	0	0	0	110.3	F53 W56 F100	F53-P206 HydrophobicContact CB-CB 4.01Å; F53-P206 HydrophobicContact CD1-CB 3.38Å; F53-P206 HydrophobicContact CD1-CG 4.28Å; F53-P206 HydrophobicContact CD2-CB 3.74Å; F53-P206 HydrophobicContact CD2-CG 4.48Å; F53-P206 HydrophobicContact CE1-CB 3.62Å; F53-P206 HydrophobicContact CE1-CG 4.01Å; F53-P206 HydrophobicContact CE2-CB 3.98Å; F53-P206 HydrophobicContact CE2-CG 4.25Å; F53-P206 HydrophobicContact CG-CB 3.41Å; F53-P206 VanDerWaalsContact CG-CB 3.41Å; F53-P206 HydrophobicContact CG-CG 4.48Å; F53-P206 HydrophobicContact CZ-CB 3.91Å; F53-P206 HydrophobicContact CZ-CG 3.99Å; W56-P206 HydrophobicContact CE3-CB 4.13Å; W56-P206 HydrophobicContact CZ3-CB 3.82Å; F100-P206 HydrophobicContact CD1-CB 4.38Å; F100-P206 HydrophobicContact CD1-CG 4Å; F100-P206 HydrophobicContact CD2-CG 4.5Å; F100-P206 HydrophobicContact CE1-CB 4.31Å; F100-P206 HydrophobicContact CE1-CG 3.58Å; F100-P206 HydrophobicContact CE2-CG 4.09Å; F100-P206 HydrophobicContact CG-CG 4.46Å; F100-P206 HydrophobicContact CZ-CG 3.62Å
207	L	92.8	Very high	86.3	Confident	9 Å²	9	64.9 Å²	64.9	5%	0.047	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.7	167.8	-58.1	175.3	0	0	0	108.4	R55 L57 F111 V194 L211	R55-L207 HydrophobicContact CB-CB 4.06Å; R55-L207 HydrophobicContact CB-CD1 4.34Å; R55-L207 PolarHBondContact O-N 3.33Å; L57-L207 HydrophobicContact CB-CD1 4.49Å; L57-L207 HydrophobicContact CB-CD2 4.44Å; F111-L207 HydrophobicContact CD2-CD1 3.62Å; F111-L207 HydrophobicContact CE2-CD1 3.82Å; V194-L207 HydrophobicContact CG2-CD2 4.14Å; L207-L211 HydrophobicContact CB-CD1 4.36Å
208	T	78.6	Confident	85.6	Confident	77 Å²	77	65.7 Å²	65.7	47%	0.472	37%	0.373	S	S	.	.			trans	-68.2	146.3	-179.9	43.1	0	0	0	0	110.9	G210 L211	T208-G210 PolarHBondContact O-N 3.39Å; T208-L211 PolarHBondContact O-N 2.95Å
209	P	63.8	Low	84.8	Confident	93 Å²	93	65.8 Å²	65.8	60%	0.604	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	133.3	169.4	-23.4	33.3	0	0	0	110.8
210	G	58.7	Low	84	Confident	74 Å²	74	58.8 Å²	58.8	76%	0.763	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.6	-0.9	-174.3	0	0	0	0	0	115.2	T208	T208-G210 PolarHBondContact O-N 3.39Å
211	L	53.7	Low	84.1	Confident	73 Å²	73	56.4 Å²	56.4	38%	0.382	32%	0.323	S	S	.	.			trans	-105.3	0	166.3	-78.6	160.9	0	0	0	111.1	R55 P190 L191 L207 T208	R55-L211 VanDerWaalsContact CD-O 3.23Å; R55-L211 WeakPolarHBondContact CD-O 3Å; R55-L211 VanDerWaalsContact CZ-O 3.25Å; R55-L211 PolarHBondContact NE-O 2.87Å; R55-L211 PolarHBondContact NH1-O 2.9Å; R55-L211 PolarHBondContact NH1-OXT 2.91Å; P190-L211 HydrophobicContact CB-CD2 4.03Å; P190-L211 HydrophobicContact CB-CG 4.12Å; P190-L211 HydrophobicContact CG-CD2 4.47Å; L191-L211 HydrophobicContact CD2-CD1 3.93Å; L191-L211 HydrophobicContact CD2-CD2 3.42Å; L191-L211 VanDerWaalsContact CD2-CD2 3.42Å; L191-L211 HydrophobicContact CD2-CG 4.3Å; L191-L211 HydrophobicContact CG-CD2 4.13Å; L207-L211 HydrophobicContact CB-CD1 4.36Å; T208-L211 PolarHBondContact O-N 2.95Å

Retrieved 211 of 211 residues in 110.6 ms (Link to these results)

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