A0A060VYD5_ONCMY Loading...

ETS domain-containing protein

AlphaFold DB , UniProt , Accession A0A060VYD5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	34.5	Very low	242 Å²	242	156.3 Å²	156.3	100%	1.192	86%	0.862	S	S	*	*				0	99.9	0	-73.9	154.1	152.1	0	0	109.1
2	K	37.7	Very low	34	Very low	209 Å²	209	154.3 Å²	154.3	91%	0.909	85%	0.849	S	S	*	*			trans	-135.5	106.6	164.8	-88.2	-174.2	165	-177	0	105.5	N4	K2-N4 PolarHBondContact O-N 2.65Å
3	Q	36.3	Very low	33.4	Very low	191 Å²	191	153.8 Å²	153.8	89%	0.893	84%	0.84	S	S	*	*			trans	-81.2	116.3	176.2	-68.3	-161.1	19.9	0	0	108.4
4	N	36.5	Very low	33	Very low	148 Å²	148	157.9 Å²	157.9	79%	0.791	84%	0.839	S	S	*	*			trans	-97.4	125.5	165.5	178	-8.6	0	0	0	106.4	K2	K2-N4 PolarHBondContact O-N 2.65Å
5	C	31.1	Very low	33.2	Very low	115 Å²	115	158.4 Å²	158.4	78%	0.777	84%	0.841	S	S	*	*			trans	-136	101.6	163.1	-68.2	0	0	0	0	108.9
6	G	30.7	Very low	32.8	Very low	76 Å²	76	155.5 Å²	155.5	78%	0.784	84%	0.837	S	S	*	*				81.1	127.9	120	0	0	0	0	0	118.2
7	G	32.5	Very low	33	Very low	75 Å²	75	154.9 Å²	154.9	77%	0.773	83%	0.834	S	S	*	*			trans	127.6	61.4	152.4	0	0	0	0	0	115.2	V9	G7-V9 PolarHBondContact O-N 2.8Å
8	N	35.9	Very low	33.5	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	83%	0.826	S	S	*	*			trans	-77.3	106.9	164.1	-153.7	-11.9	0	0	0	107.6
9	V	38.6	Very low	34	Very low	125 Å²	125	150.2 Å²	150.2	76%	0.758	82%	0.819	S	S	*	*			trans	-111.4	104.8	164	-77.1	0	0	0	0	108.2	G7 F11	G7-V9 PolarHBondContact O-N 2.8Å; V9-F11 PolarHBondContact O-N 3.03Å
10	M	34	Very low	34.2	Very low	170 Å²	170	150 Å²	150	84%	0.837	81%	0.812	S	S	*	*			trans	-50.3	119.4	160.7	-81.9	177.6	166.2	0	0	109.4
11	F	30.2	Very low	34.2	Very low	208 Å²	208	152.2 Å²	152.2	91%	0.912	82%	0.817	S	S	*	*			trans	-127.7	93.3	144.7	-102.2	-84.4	0	0	0	107	V9	V9-F11 PolarHBondContact O-N 3.03Å
12	N	28.3	Very low	34.3	Very low	132 Å²	132	147 Å²	147	71%	0.706	79%	0.793	S	S	*	*			trans	-93.9	148.2	171.7	-146.7	4	0	0	0	108.4
13	M	25.6	Very low	34.5	Very low	148 Å²	148	144.2 Å²	144.2	73%	0.729	79%	0.788	S	S	*	*			trans	73.1	121.4	172.3	-62.1	-175.1	-87.7	0	0	115.1
14	Y	28	Very low	34.2	Very low	211 Å²	211	145.2 Å²	145.2	83%	0.827	79%	0.789	S	S	*	*			cis	-135.4	135.2	47.2	-92.3	-101.7	0	0	0	113.6
15	L	36.8	Very low	34	Very low	166 Å²	166	145.9 Å²	145.9	87%	0.869	79%	0.787	S	S	*	*			trans	-57.9	129.2	149.7	-123.8	85.6	0	0	0	108.4
16	S	26.8	Very low	34.7	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	79%	0.786	S	S	*	*			trans	-156.1	91.9	151	-73.1	0	0	0	0	107.4
17	D	36.4	Very low	34.8	Very low	146 Å²	146	151.5 Å²	151.5	78%	0.781	79%	0.791	S	S	*	*			trans	-105	130.4	141.9	-137.9	-46.6	0	0	0	104.3	T19	D17-T19 PolarHBondContact OD1-N 3.27Å
18	P	40.6	Very low	34.8	Very low	107 Å²	107	153 Å²	153	70%	0.695	79%	0.789	S	S	*	*				-142.8	139.5	92.1	32.4	-14.4	0	0	0	113.3
19	T	44.2	Very low	35.1	Very low	113 Å²	113	149 Å²	149	69%	0.693	79%	0.786	S	S	*	*			trans	43.4	138.5	131.2	-5.2	0	0	0	0	119.7	D17	D17-T19 PolarHBondContact OD1-N 3.27Å
20	E	36.9	Very low	34.7	Very low	145 Å²	145	147.3 Å²	147.3	68%	0.678	78%	0.78	S	S	*	*			trans	88.2	99.3	167.8	-57.8	-70.2	123	0	0	116.8
21	H	34.1	Very low	35	Very low	197 Å²	197	146.7 Å²	146.7	91%	0.912	77%	0.768	S	S	*	*				-154.4	75.1	122.9	-100.2	-66.8	0	0	0	109.7
22	L	38.3	Very low	35.4	Very low	132 Å²	132	140.5 Å²	140.5	69%	0.691	75%	0.751	S	S	*	*			trans	-56.9	130.8	158.5	-174.7	73.1	0	0	0	109.5
23	L	43.3	Very low	36	Very low	152 Å²	152	140 Å²	140	80%	0.796	75%	0.754	S	S	*	*			trans	59.4	93.6	160.7	-63.5	166.8	0	0	0	118.2
24	K	28.5	Very low	37.2	Very low	211 Å²	211	135.3 Å²	135.3	92%	0.917	74%	0.737	S	S	*	*			trans	-148.3	91.2	138.9	-154.5	162.7	-177.2	174.2	0	111.4
25	E	33.2	Very low	38	Very low	163 Å²	163	132.2 Å²	132.2	76%	0.762	73%	0.734	S	S	*	*			trans	-77.3	152.7	166.9	-171.5	168.4	112.2	0	0	110.6
26	S	46.2	Very low	38.8	Very low	107 Å²	107	127.3 Å²	127.3	75%	0.748	71%	0.711	S	S	*	*			trans	91.7	90.9	159	74	0	0	0	0	118.4
27	K	33.3	Very low	39.7	Very low	202 Å²	202	124.4 Å²	124.4	88%	0.878	70%	0.699	S	S	*	*				-163.9	128.6	127.8	-134.1	156.1	177.2	173.1	0	113.4
28	S	32.6	Very low	40.4	Very low	106 Å²	106	122 Å²	122	74%	0.741	70%	0.699	S	S	*	*			trans	54	106.6	159.1	58	0	0	0	0	118.7	S30	S28-S30 PolarHBondContact O-N 3.41Å
29	G	40.6	Very low	40.9	Very low	77 Å²	77	123.9 Å²	123.9	79%	0.794	70%	0.698	S	S	*	*			trans	-66.7	83	156.9	0	0	0	0	0	111
30	S	30.8	Very low	41	Very low	89 Å²	89	128.2 Å²	128.2	62%	0.622	71%	0.708	S	S	*	*			trans	-86.1	111.8	154.8	-176.6	0	0	0	0	107.1	S28 S32	S28-S30 PolarHBondContact O-N 3.41Å; S30-S32 PolarHBondContact O-N 2.87Å; S30-S32 PolarHBondContact OG-OG 2.87Å
31	W	40.5	Very low	41.9	Very low	156 Å²	156	124.2 Å²	124.2	59%	0.591	71%	0.706	S	S	*	*			trans	-75.2	75.9	169.7	-73.3	53.2	0	0	0	107.7	A102	W31-A102 HydrophobicContact CH2-CB 3.27Å; W31-A102 HydrophobicContact CZ2-CB 3.92Å; W31-A102 HydrophobicContact CZ3-CB 4.13Å
32	S	38.2	Very low	43.2	Very low	79 Å²	79	116.8 Å²	116.8	55%	0.552	68%	0.676	S	S	*	*			trans	-74.3	131	172.8	-59.3	0	0	0	0	108.9	S30 S34	S30-S32 PolarHBondContact O-N 2.87Å; S30-S32 PolarHBondContact OG-OG 2.87Å; S32-S34 PolarHBondContact O-N 3.27Å
33	P	40.2	Very low	44.7	Very low	120 Å²	120	112.8 Å²	112.8	78%	0.779	67%	0.666	S	S	*	*			trans	-71.4	100.4	172.3	27.9	-28.4	0	0	0	107.9
34	S	51.8	Low	46.8	Very low	51 Å²	51	111.1 Å²	111.1	36%	0.357	65%	0.654	S	S	.	*			trans	-88.2	131.7	171.8	-78.9	0	0	0	0	111.6	S32 Q44	S32-S34 PolarHBondContact O-N 3.27Å; S34-Q44 PolarHBondContact OG-NE2 2.83Å
35	N	45.1	Very low	49.9	Very low	146 Å²	146	102.1 Å²	102.1	78%	0.781	62%	0.616	S	S	*	*			trans	-20.8	124	174.1	-159.1	25.3	0	0	0	116.7	G37	N35-G37 PolarHBondContact O-N 3.41Å
36	T	54.3	Low	52.8	Low	63 Å²	63	96.5 Å²	96.5	39%	0.387	59%	0.59	S	S	.	*			trans	-75.9	88	-177.9	-39.3	0	0	0	0	110.8
37	G	45.5	Very low	55.2	Low	50 Å²	50	91.4 Å²	91.4	52%	0.515	55%	0.554	S	S	.	*			trans	-130.1	103.6	157.1	0	0	0	0	0	107.2	N35 Q39	N35-G37 PolarHBondContact O-N 3.41Å; G37-Q39 PolarHBondContact O-N 2.95Å
38	A	50	Low	58.3	Low	95 Å²	95	82.2 Å²	82.2	79%	0.785	51%	0.514	S	S	*	.			trans	-68.4	80	-177.1	0	0	0	0	0	110.5	K40	A38-K40 PolarHBondContact O-N 3.21Å
39	Q	50.9	Low	61.3	Low	147 Å²	147	78.8 Å²	78.8	69%	0.687	49%	0.486	S	S	*	.			trans	-72.1	108.2	165.5	-68.3	-64.5	-23.3	0	0	107.1	G37 G41 S42	G37-Q39 PolarHBondContact O-N 2.95Å; Q39-G41 PolarHBondContact O-N 3.45Å; Q39-S42 PolarHBondContact O-N 2.96Å; Q39-S42 VanDerWaalsContact O-N 3.09Å
40	K	47.6	Very low	64	Low	205 Å²	205	75.2 Å²	75.2	89%	0.891	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	104.1	177.8	-143.5	-173.1	-170.3	-169.5	0	107.8	A38	A38-K40 PolarHBondContact O-N 3.21Å
41	G	55	Low	67.2	Low	61 Å²	61	71 Å²	71	63%	0.629	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	4.6	179.7	0	0	0	0	0	117.1	Q39	Q39-G41 PolarHBondContact O-N 3.45Å
42	S	60.9	Low	69.9	Low	41 Å²	41	65.9 Å²	65.9	29%	0.287	40%	0.404	S	S	.	.			trans	-75.5	139.5	171.8	101	0	0	0	0	111.1	Q39 Q44 I45	Q39-S42 PolarHBondContact O-N 2.96Å; Q39-S42 VanDerWaalsContact O-N 3.09Å; S42-Q44 PolarHBondContact O-N 3Å; S42-Q44 WeakPolarHBondContact OG-CB 2.81Å; S42-Q44 PolarHBondContact OG-N 3.1Å; S42-I45 PolarHBondContact O-N 3.01Å
43	G	71.1	Confident	72.6	Confident	48 Å²	48	65.1 Å²	65.1	50%	0.495	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-0.1	171.8	0	0	0	0	0	113.8	K89	G43-K89 WeakPolarHBondContact O-CD 3.44Å; G43-K89 WeakPolarHBondContact O-CE 3.35Å; G43-K89 PolarHBondContact O-NZ 3.05Å
44	Q	87.4	Confident	75.3	Confident	116 Å²	116	59.9 Å²	59.9	54%	0.542	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	16.3	178.1	-158.7	167.1	20.3	0	0	113	S34 S42	S34-Q44 PolarHBondContact OG-NE2 2.83Å; S42-Q44 PolarHBondContact O-N 3Å; S42-Q44 WeakPolarHBondContact OG-CB 2.81Å; S42-Q44 PolarHBondContact OG-N 3.1Å
45	I	92.7	Very high	77.5	Confident	23 Å²	23	58 Å²	58	12%	0.118	34%	0.342	C	S	.	.			trans	-69.5	143.8	171.5	-170.6	167	0	0	0	111.6	S42 Q49 F50 E53 W85 R88	S42-I45 PolarHBondContact O-N 3.01Å; I45-Q49 HydrophobicContact CD1-CB 4.07Å; I45-Q49 HydrophobicContact CG1-CB 3.71Å; I45-F50 HydrophobicContact CD1-CB 3.92Å; I45-F50 HydrophobicContact CG1-CB 4.19Å; I45-E53 VanDerWaalsContact CD1-OE2 3.27Å; I45-E53 WeakPolarHBondContact CD1-OE2 3.12Å; I45-W85 HydrophobicContact CG2-CZ3 3.98Å; I45-W85 WeakPolarHBondContact O-CH2 3.31Å; I45-R88 HydrophobicContact CG2-CG 3.47Å; I45-R88 VanDerWaalsContact CG2-CG 3.47Å
46	Q	94.9	Very high	79.9	Confident	44 Å²	44	55.7 Å²	55.7	21%	0.206	34%	0.338	C	S	.	.			trans	-87.5	154.9	172	-64.1	177.9	60	0	0	111.2	W48 Q49 F50	Q46-W48 VanDerWaalsContact C-N 3.33Å; Q46-W48 PolarHBondContact O-N 2.81Å; Q46-Q49 HydrophobicContact CB-CG 4.36Å; Q46-Q49 VanDerWaalsContact N-OE1 3.09Å; Q46-Q49 WeakPolarHBondContact O-CB 3Å; Q46-Q49 PolarHBondContact O-N 3.04Å; Q46-Q49 VanDerWaalsContact O-N 3.14Å; Q46-F50 PolarHBondContact O-N 2.91Å
47	L	96.8	Very high	81.8	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-59	-42.6	-177.1	176.9	61.9	0	0	0	112.2	Q49 F50 L51 W85 L99 A102 L103 Y106	L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 2.87Å; L47-F50 HydrophobicContact CD1-CD1 4.15Å; L47-F50 PolarHBondContact O-N 2.91Å; L47-L51 HydrophobicContact CD1-CD1 4.28Å; L47-L51 HydrophobicContact CD1-CD2 4.35Å; L47-L51 HydrophobicContact CD1-CG 4.07Å; L47-L51 HydrophobicContact CG-CD1 4.21Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å; L47-W85 HydrophobicContact CB-CH2 4.08Å; L47-W85 HydrophobicContact CB-CZ2 3.9Å; L47-W85 HydrophobicContact CD1-CD2 3.85Å; L47-W85 HydrophobicContact CD1-CE3 4.2Å; L47-W85 HydrophobicContact CD1-CG 4.09Å; L47-W85 HydrophobicContact CD1-CZ2 4.38Å; L47-L99 HydrophobicContact CD1-CD1 4.13Å; L47-L99 HydrophobicContact CD1-CG 4.18Å; L47-L99 HydrophobicContact CD2-CD2 4.46Å; L47-L99 HydrophobicContact CD2-CG 4.15Å; L47-A102 HydrophobicContact CD2-CB 3.52Å; L47-L103 HydrophobicContact CD2-CD2 3.58Å; L47-L103 HydrophobicContact CD2-CG 4.08Å; L47-L103 HydrophobicContact CG-CD2 4.14Å; L47-Y106 HydrophobicContact CB-CE2 4.09Å; L47-Y106 HydrophobicContact CD2-CE2 4.29Å; L47-Y106 HydrophobicContact CG-CE2 4.33Å
48	W	96.8	Very high	84.1	Confident	9 Å²	9	58.6 Å²	58.6	3%	0.034	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-39	178.5	70.3	-95.6	0	0	0	112.5	Q46 L52 Y106 I111 M112 F124 L129 V132	Q46-W48 VanDerWaalsContact C-N 3.33Å; Q46-W48 PolarHBondContact O-N 2.81Å; W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CZ3-CD1 3.84Å; W48-L52 WeakPolarHBondContact O-CG 3.23Å; W48-L52 PolarHBondContact O-N 3.01Å; W48-L52 VanDerWaalsContact O-N 3.15Å; W48-Y106 HydrophobicContact CB-CE2 3.97Å; W48-Y106 AromaticContact CD1-CZ 3.89Å; W48-Y106 PolarHBondContact N-OH 2.88Å; W48-I111 HydrophobicContact CB-CG2 3.82Å; W48-I111 HydrophobicContact CG-CG2 4.13Å; W48-M112 HydrophobicContact CB-CE 4.27Å; W48-F124 HydrophobicContact CB-CE1 4.18Å; W48-L129 HydrophobicContact CD2-CD2 3.98Å; W48-L129 HydrophobicContact CE3-CD2 3.48Å; W48-L129 VanDerWaalsContact CE3-CD2 3.48Å; W48-L129 HydrophobicContact CZ3-CD2 3.82Å; W48-V132 HydrophobicContact CZ2-CG1 3.65Å
49	Q	96.1	Very high	86.2	Confident	34 Å²	34	57.5 Å²	57.5	16%	0.159	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-43.9	176.3	-65.8	172.1	-44.9	0	0	111	I45 Q46 L47 L51 L52 E53	I45-Q49 HydrophobicContact CD1-CB 4.07Å; I45-Q49 HydrophobicContact CG1-CB 3.71Å; Q46-Q49 HydrophobicContact CB-CG 4.36Å; Q46-Q49 VanDerWaalsContact N-OE1 3.09Å; Q46-Q49 WeakPolarHBondContact O-CB 3Å; Q46-Q49 PolarHBondContact O-N 3.04Å; Q46-Q49 VanDerWaalsContact O-N 3.14Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-Q49 PolarHBondContact O-N 2.87Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 2.96Å; Q49-L52 PolarHBondContact O-N 3.34Å; Q49-E53 WeakPolarHBondContact O-CB 2.97Å; Q49-E53 PolarHBondContact O-N 2.9Å
50	F	97.5	Very high	88.4	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.009	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-42	177.7	169.3	-102.5	0	0	0	112.2	I45 Q46 L47 E53 L54 V81 R84 W85 R88	I45-F50 HydrophobicContact CD1-CB 3.92Å; I45-F50 HydrophobicContact CG1-CB 4.19Å; Q46-F50 PolarHBondContact O-N 2.91Å; L47-F50 HydrophobicContact CD1-CD1 4.15Å; L47-F50 PolarHBondContact O-N 2.91Å; F50-E53 WeakPolarHBondContact O-CB 3.34Å; F50-E53 PolarHBondContact O-N 3.43Å; F50-L54 HydrophobicContact CD1-CD1 4.37Å; F50-L54 HydrophobicContact CE1-CD1 3.62Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.3Å; F50-L54 HydrophobicContact CE2-CD2 4.24Å; F50-L54 HydrophobicContact CE2-CG 4.18Å; F50-L54 HydrophobicContact CZ-CD1 3.59Å; F50-L54 HydrophobicContact CZ-CD2 4.23Å; F50-L54 HydrophobicContact CZ-CG 3.97Å; F50-L54 PolarHBondContact O-N 3.2Å; F50-V81 HydrophobicContact CE1-CG1 4.47Å; F50-R84 HydrophobicContact CZ-CB 3.85Å; F50-W85 HydrophobicContact CB-CE3 3.85Å; F50-W85 HydrophobicContact CB-CZ3 3.6Å; F50-W85 HydrophobicContact CD1-CB 4.3Å; F50-W85 HydrophobicContact CD1-CD2 4.23Å; F50-W85 AromaticContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CE3 3.49Å; F50-W85 VanDerWaalsContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CZ3 4.16Å; F50-W85 HydrophobicContact CD2-CE3 4.08Å; F50-W85 HydrophobicContact CD2-CZ3 4.42Å; F50-W85 HydrophobicContact CE1-CB 3.74Å; F50-W85 HydrophobicContact CE1-CE3 4Å; F50-W85 HydrophobicContact CE1-CG 4.47Å; F50-W85 AromaticContact CG-CE3 3.52Å; F50-W85 HydrophobicContact CG-CE3 3.52Å; F50-W85 AromaticContact CG-CZ3 3.81Å; F50-W85 HydrophobicContact CG-CZ3 3.81Å; F50-W85 HydrophobicContact CZ-CB 4.21Å; F50-W85 HydrophobicContact CZ-CE3 4.48Å; F50-R88 HydrophobicContact CD2-CB 4.34Å; F50-R88 HydrophobicContact CD2-CG 4.05Å; F50-R88 HydrophobicContact CE2-CB 4.12Å; F50-R88 HydrophobicContact CE2-CG 4.29Å
51	L	97.9	Very high	90.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-42	176.8	-67.2	176.8	0	0	0	111.8	L47 Q49 E53 L54 L55 I64 F73 L75 V81 L103 M112 F124	L47-L51 HydrophobicContact CD1-CD1 4.28Å; L47-L51 HydrophobicContact CD1-CD2 4.35Å; L47-L51 HydrophobicContact CD1-CG 4.07Å; L47-L51 HydrophobicContact CG-CD1 4.21Å; L47-L51 HydrophobicContact CG-CG 4.4Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.03Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 2.96Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.18Å; L51-L54 PolarHBondContact O-N 2.96Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.36Å; L51-L55 WeakPolarHBondContact O-CD1 3.34Å; L51-L55 VanDerWaalsContact O-CG 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 3.3Å; L51-I64 HydrophobicContact CB-CD1 4.41Å; L51-I64 HydrophobicContact CD2-CD1 3.76Å; L51-F73 HydrophobicContact CD1-CE2 4.31Å; L51-F73 HydrophobicContact CD1-CZ 4.14Å; L51-L75 HydrophobicContact CD2-CD2 4.45Å; L51-V81 HydrophobicContact CD2-CG1 3.81Å; L51-L103 HydrophobicContact CD1-CD2 3.64Å; L51-M112 HydrophobicContact CD1-CE 4.19Å; L51-F124 HydrophobicContact CB-CZ 4.19Å
52	L	96.6	Very high	92.7	Very high	49 Å²	49	47.9 Å²	47.9	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-38.7	173.5	-72.2	174.5	0	0	0	112.1	W48 Q49 L55 S56 W66 F124 L129	W48-L52 HydrophobicContact CE3-CD1 3.75Å; W48-L52 HydrophobicContact CZ3-CD1 3.84Å; W48-L52 WeakPolarHBondContact O-CG 3.23Å; W48-L52 PolarHBondContact O-N 3.01Å; W48-L52 VanDerWaalsContact O-N 3.15Å; Q49-L52 PolarHBondContact O-N 3.34Å; L52-L55 PolarHBondContact O-N 3.19Å; L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 2.98Å; L52-W66 HydrophobicContact CD2-CH2 3.77Å; L52-W66 HydrophobicContact CD2-CZ2 4.08Å; L52-F124 HydrophobicContact CD2-CD2 3.92Å; L52-F124 HydrophobicContact CD2-CE1 4.32Å; L52-F124 HydrophobicContact CD2-CE2 3.53Å; L52-F124 HydrophobicContact CD2-CG 4.47Å; L52-F124 HydrophobicContact CD2-CZ 3.75Å; L52-F124 HydrophobicContact CG-CE1 4.17Å; L52-F124 HydrophobicContact CG-CE2 4.05Å; L52-F124 HydrophobicContact CG-CZ 3.72Å; L52-L129 HydrophobicContact CD1-CD1 4.48Å
53	E	96.2	Very high	94.4	Very high	62 Å²	62	46 Å²	46	29%	0.29	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-48.9	175.3	-172.6	-171.5	134.2	0	0	111	I45 Q49 F50 L51 L55 S56 R88	I45-E53 VanDerWaalsContact CD1-OE2 3.27Å; I45-E53 WeakPolarHBondContact CD1-OE2 3.12Å; Q49-E53 WeakPolarHBondContact O-CB 2.97Å; Q49-E53 PolarHBondContact O-N 2.9Å; F50-E53 WeakPolarHBondContact O-CB 3.34Å; F50-E53 PolarHBondContact O-N 3.43Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.18Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 2.89Å; E53-S56 PolarHBondContact O-N 3.4Å; E53-S56 PolarHBondContact O-OG 3.16Å; E53-R88 VanDerWaalsContact CD-NH1 3.31Å; E53-R88 IonicContact OE1-CZ 3.58Å; E53-R88 IonicContact OE1-NH1 2.77Å; E53-R88 PolarHBondContact OE1-NH1 3.34Å; E53-R88 IonicContact OE1-NH2 2.79Å; E53-R88 PolarHBondContact OE1-NH2 3.09Å; E53-R88 IonicContact OE2-CZ 3.04Å; E53-R88 IonicContact OE2-NH1 3.35Å; E53-R88 PolarHBondContact OE2-NH1 3.13Å; E53-R88 IonicContact OE2-NH2 3.61Å
54	L	97.1	Very high	95.7	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-42.9	176.3	-67.3	-175.9	0	0	0	111.9	F50 L51 S56 D57 N60 I64 V81	F50-L54 HydrophobicContact CD1-CD1 4.37Å; F50-L54 HydrophobicContact CE1-CD1 3.62Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.3Å; F50-L54 HydrophobicContact CE2-CD2 4.24Å; F50-L54 HydrophobicContact CE2-CG 4.18Å; F50-L54 HydrophobicContact CZ-CD1 3.59Å; F50-L54 HydrophobicContact CZ-CD2 4.23Å; F50-L54 HydrophobicContact CZ-CG 3.97Å; F50-L54 PolarHBondContact O-N 3.2Å; L51-L54 PolarHBondContact O-N 2.96Å; L54-S56 PolarHBondContact O-N 3.14Å; L54-D57 PolarHBondContact O-N 2.94Å; L54-N60 WeakPolarHBondContact O-CB 3.46Å; L54-N60 PolarHBondContact O-ND2 2.77Å; L54-I64 HydrophobicContact CB-CG2 3.59Å; L54-I64 HydrophobicContact CD1-CG2 4.01Å; L54-I64 HydrophobicContact CG-CG2 4.45Å; L54-V81 HydrophobicContact CD1-CG1 4.3Å
55	L	97.1	Very high	96.2	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-17	179.9	-79.6	167.4	0	0	0	114.2	L51 L52 E53 D57 I64 T65 W66 F73 F124	L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.36Å; L51-L55 WeakPolarHBondContact O-CD1 3.34Å; L51-L55 VanDerWaalsContact O-CG 3.27Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 3.3Å; L52-L55 PolarHBondContact O-N 3.19Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 2.89Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-I64 HydrophobicContact CD1-CD1 4.04Å; L55-I64 HydrophobicContact CD1-CG1 4.47Å; L55-I64 HydrophobicContact CD2-CD1 4.17Å; L55-I64 HydrophobicContact CD2-CG1 3.74Å; L55-I64 HydrophobicContact CG-CD1 3.81Å; L55-I64 HydrophobicContact CG-CG1 3.95Å; L55-T65 VanDerWaalsContact CD2-C 3.43Å; L55-W66 HydrophobicContact CB-CD2 4.43Å; L55-W66 HydrophobicContact CB-CH2 4.42Å; L55-W66 HydrophobicContact CB-CZ2 3.58Å; L55-W66 HydrophobicContact CD1-CD2 4.33Å; L55-W66 HydrophobicContact CD1-CE3 4.3Å; L55-W66 HydrophobicContact CD1-CH2 3.69Å; L55-W66 HydrophobicContact CD1-CZ2 3.71Å; L55-W66 HydrophobicContact CD1-CZ3 3.99Å; L55-W66 HydrophobicContact CD2-CD2 3.92Å; L55-W66 HydrophobicContact CD2-CE3 4.45Å; L55-W66 HydrophobicContact CD2-CG 4.05Å; L55-W66 HydrophobicContact CD2-CZ2 4.46Å; L55-W66 HydrophobicContact CG-CD2 4.47Å; L55-W66 HydrophobicContact CG-CZ2 4.11Å; L55-W66 PolarHBondContact O-NE1 2.79Å; L55-F73 HydrophobicContact CD1-CB 3.88Å; L55-F73 HydrophobicContact CD1-CD1 4.19Å; L55-F73 HydrophobicContact CD1-CD2 4.03Å; L55-F73 HydrophobicContact CD1-CG 3.78Å; L55-F73 HydrophobicContact CD2-CB 3.99Å; L55-F124 HydrophobicContact CD1-CE2 3.96Å
56	S	95.8	Very high	96.4	Very high	99 Å²	99	43.3 Å²	43.3	69%	0.692	25%	0.248	S	C	*	.	H	α-helix	trans	-76.1	-19.6	177.8	73.1	0	0	0	0	113.4	L52 E53 L54	L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 2.98Å; E53-S56 PolarHBondContact O-N 3.4Å; E53-S56 PolarHBondContact O-OG 3.16Å; L54-S56 PolarHBondContact O-N 3.14Å
57	D	94.9	Very high	96.4	Very high	82 Å²	82	44.4 Å²	44.4	44%	0.439	25%	0.253	S	S	.	.			trans	-115.4	119.3	-179.6	-176.9	-1.4	0	0	0	110.4	L54 L55 A59 N60	L54-D57 PolarHBondContact O-N 2.94Å; L55-D57 VanDerWaalsContact C-N 3.3Å; D57-A59 PolarHBondContact O-N 3.46Å; D57-A59 VanDerWaalsContact OD1-CB 3.32Å; D57-A59 WeakPolarHBondContact OD1-CB 3.42Å; D57-A59 PolarHBondContact OD1-N 3.05Å; D57-N60 PolarHBondContact O-N 3.27Å; D57-N60 VanDerWaalsContact O-N 3.13Å
58	S	92.6	Very high	96	Very high	92 Å²	92	47.3 Å²	47.3	64%	0.643	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-65.7	-16.5	179.8	56.5	0	0	0	0	113.2	N60 M61	S58-N60 PolarHBondContact O-N 3.25Å; S58-N60 VanDerWaalsContact O-N 3.16Å; S58-M61 WeakPolarHBondContact O-CB 3.42Å; S58-M61 WeakPolarHBondContact O-CG 3.47Å; S58-M61 PolarHBondContact O-N 2.95Å
59	A	95.4	Very high	95.6	Very high	71 Å²	71	51 Å²	51	59%	0.587	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.6	-20.7	172.3	0	0	0	0	0	113	D57	D57-A59 PolarHBondContact O-N 3.46Å; D57-A59 VanDerWaalsContact OD1-CB 3.32Å; D57-A59 WeakPolarHBondContact OD1-CB 3.42Å; D57-A59 PolarHBondContact OD1-N 3.05Å
60	N	95.5	Very high	95.3	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.112	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-89.4	3.2	179.7	-58.8	-51.1	0	0	0	114.2	L54 D57 S58 S62 C63 I64 R84	L54-N60 WeakPolarHBondContact O-CB 3.46Å; L54-N60 PolarHBondContact O-ND2 2.77Å; D57-N60 PolarHBondContact O-N 3.27Å; D57-N60 VanDerWaalsContact O-N 3.13Å; S58-N60 PolarHBondContact O-N 3.25Å; S58-N60 VanDerWaalsContact O-N 3.16Å; N60-S62 PolarHBondContact O-N 3.03Å; N60-C63 PolarHBondContact O-N 3.27Å; N60-C63 PolarHBondContact O-SG 2.77Å; N60-C63 VanDerWaalsContact O-SG 3.34Å; N60-I64 CarbonylContact C-O 3.53Å; N60-I64 HydrophobicContact CB-CG2 4.33Å; N60-I64 PolarHBondContact O-N 3.36Å; N60-I64 VanDerWaalsContact O-O 3.08Å; N60-R84 PolarHBondContact OD1-NH1 3.39Å
61	M	95.7	Very high	95.1	Very high	106 Å²	106	56 Å²	56	52%	0.522	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.2	-176.4	-76.7	179.7	70	0	0	114.4	S58 C63 I64 I76	S58-M61 WeakPolarHBondContact O-CB 3.42Å; S58-M61 WeakPolarHBondContact O-CG 3.47Å; S58-M61 PolarHBondContact O-N 2.95Å; M61-C63 VanDerWaalsContact C-N 3.26Å; M61-C63 PolarHBondContact O-N 2.93Å; M61-I64 WeakPolarHBondContact CA-O 3.43Å; M61-I76 WeakPolarHBondContact O-CG1 3.45Å
62	S	97.3	Very high	95.2	Very high	85 Å²	85	57.4 Å²	57.4	59%	0.594	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.5	175.4	56.1	0	0	0	0	113.6	N60 I76	N60-S62 PolarHBondContact O-N 3.03Å; S62-I76 WeakPolarHBondContact O-CB 3.44Å; S62-I76 VanDerWaalsContact O-CG2 3.23Å; S62-I76 WeakPolarHBondContact O-CG2 3.27Å
63	C	97.5	Very high	95.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.007	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-30	179.9	66.6	0	0	0	0	113.8	N60 M61 L75 I76 D77 E80 V81	N60-C63 PolarHBondContact O-N 3.27Å; N60-C63 PolarHBondContact O-SG 2.77Å; N60-C63 VanDerWaalsContact O-SG 3.34Å; M61-C63 VanDerWaalsContact C-N 3.26Å; M61-C63 PolarHBondContact O-N 2.93Å; C63-L75 CarbonylContact O-C 3.59Å; C63-I76 PolarHBondContact O-N 3.35Å; C63-D77 HydrophobicContact CB-CB 4.03Å; C63-D77 PolarHBondContact O-N 3Å; C63-D77 VanDerWaalsContact O-N 3.1Å; C63-E80 HydrophobicContact CB-CB 3.99Å; C63-E80 HydrophobicContact CB-CG 3.75Å; C63-V81 HydrophobicContact CB-CG2 4Å; C63-V81 WeakPolarHBondContact O-CG2 3.46Å
64	I	98.4	Very high	95.3	Very high	2 Å²	2	55 Å²	55	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	137.9	177.8	-171.5	174.4	0	0	0	110.9	L51 L54 L55 N60 M61 F73 K74 L75 V81	L51-I64 HydrophobicContact CB-CD1 4.41Å; L51-I64 HydrophobicContact CD2-CD1 3.76Å; L54-I64 HydrophobicContact CB-CG2 3.59Å; L54-I64 HydrophobicContact CD1-CG2 4.01Å; L54-I64 HydrophobicContact CG-CG2 4.45Å; L55-I64 HydrophobicContact CD1-CD1 4.04Å; L55-I64 HydrophobicContact CD1-CG1 4.47Å; L55-I64 HydrophobicContact CD2-CD1 4.17Å; L55-I64 HydrophobicContact CD2-CG1 3.74Å; L55-I64 HydrophobicContact CG-CD1 3.81Å; L55-I64 HydrophobicContact CG-CG1 3.95Å; N60-I64 CarbonylContact C-O 3.53Å; N60-I64 HydrophobicContact CB-CG2 4.33Å; N60-I64 PolarHBondContact O-N 3.36Å; N60-I64 VanDerWaalsContact O-O 3.08Å; M61-I64 WeakPolarHBondContact CA-O 3.43Å; I64-F73 HydrophobicContact CD1-CD2 3.96Å; I64-F73 HydrophobicContact CD1-CE2 4.14Å; I64-F73 HydrophobicContact CG1-CD2 4.16Å; I64-K74 WeakPolarHBondContact CA-O 3.31Å; I64-L75 HydrophobicContact CB-CD2 4.42Å; I64-L75 HydrophobicContact CD1-CD2 3.76Å; I64-L75 HydrophobicContact CG1-CD2 4.01Å; I64-V81 HydrophobicContact CB-CG2 3.99Å; I64-V81 HydrophobicContact CG2-CG2 4.48Å
65	T	97.9	Very high	95.4	Very high	20 Å²	20	54.8 Å²	54.8	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	151.8	-178.2	-167	0	0	0	0	112.4	L55 F73 K74 I76	L55-T65 VanDerWaalsContact CD2-C 3.43Å; T65-F73 VanDerWaalsContact O-CA 3.31Å; T65-F73 WeakPolarHBondContact O-CA 3.43Å; T65-F73 WeakPolarHBondContact O-CB 3.29Å; T65-K74 HydrophobicContact CG2-CD 4.33Å; T65-K74 HydrophobicContact CG2-CG 3.82Å; T65-K74 PolarHBondContact N-O 3.4Å; T65-K74 PolarHBondContact O-N 2.96Å; T65-I76 HydrophobicContact CG2-CD1 3.96Å; T65-I76 HydrophobicContact CG2-CG1 4.02Å
66	W	97.5	Very high	95.4	Very high	108 Å²	108	58.1 Å²	58.1	41%	0.409	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.8	167	-63.2	111.4	0	0	0	109.4	L52 L55 F73 F124	L52-W66 HydrophobicContact CD2-CH2 3.77Å; L52-W66 HydrophobicContact CD2-CZ2 4.08Å; L55-W66 HydrophobicContact CB-CD2 4.43Å; L55-W66 HydrophobicContact CB-CH2 4.42Å; L55-W66 HydrophobicContact CB-CZ2 3.58Å; L55-W66 HydrophobicContact CD1-CD2 4.33Å; L55-W66 HydrophobicContact CD1-CE3 4.3Å; L55-W66 HydrophobicContact CD1-CH2 3.69Å; L55-W66 HydrophobicContact CD1-CZ2 3.71Å; L55-W66 HydrophobicContact CD1-CZ3 3.99Å; L55-W66 HydrophobicContact CD2-CD2 3.92Å; L55-W66 HydrophobicContact CD2-CE3 4.45Å; L55-W66 HydrophobicContact CD2-CG 4.05Å; L55-W66 HydrophobicContact CD2-CZ2 4.46Å; L55-W66 HydrophobicContact CG-CD2 4.47Å; L55-W66 HydrophobicContact CG-CZ2 4.11Å; L55-W66 PolarHBondContact O-NE1 2.79Å; W66-F73 HydrophobicContact CE3-CB 3.84Å; W66-F73 HydrophobicContact CZ3-CB 4.13Å; W66-F73 HydrophobicContact CZ3-CD1 4.28Å; W66-F124 AromaticContact CH2-CD2 3.83Å; W66-F124 HydrophobicContact CH2-CD2 3.83Å; W66-F124 HydrophobicContact CH2-CE2 4.03Å; W66-F124 AromaticContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CE2 4.35Å
67	E	93.6	Very high	95.6	Very high	68 Å²	68	56.6 Å²	56.6	32%	0.318	33%	0.329	S	S	.	.			trans	-146.3	135.6	176.5	-172.3	-160.9	107.2	0	0	109.8	E72 K74 K118	E67-E72 PolarHBondContact N-O 3.21Å; E67-E72 CarbonylContact O-C 3.55Å; E67-E72 VanDerWaalsContact O-C 3.31Å; E67-E72 WeakPolarHBondContact O-CB 3.38Å; E67-K74 HydrophobicContact CB-CD 4.27Å; E67-K74 HydrophobicContact CB-CG 4.12Å; E67-K74 WeakPolarHBondContact OE2-CD 3.24Å; E67-K74 WeakPolarHBondContact OE2-CE 3.08Å; E67-K74 IonicContact OE2-NZ 3.58Å; E67-K74 PolarHBondContact OE2-NZ 2.75Å; E67-K118 IonicContact OE1-NZ 2.65Å; E67-K118 PolarHBondContact OE1-NZ 2.9Å
68	G	88.8	Confident	95.7	Very high	62 Å²	62	53.3 Å²	53.3	64%	0.639	31%	0.312	S	S	*	.	S	Bend	trans	92.9	-131.6	169.8	0	0	0	0	0	112.1
69	T	88	Confident	96	Very high	86 Å²	86	53.9 Å²	53.9	53%	0.528	31%	0.308	S	S	.	.	S	Bend	trans	-85.8	171.4	-178.1	61.3	0	0	0	0	112.1	G71 E72	T69-G71 PolarHBondContact O-N 2.96Å; T69-E72 PolarHBondContact N-OE2 3.41Å; T69-E72 WeakPolarHBondContact O-CB 3.34Å; T69-E72 PolarHBondContact O-N 3.36Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-OE1 2.94Å; T69-E72 PolarHBondContact OG1-OE2 3.35Å
70	N	90.3	Very high	96.2	Very high	137 Å²	137	52.6 Å²	52.6	73%	0.733	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	125.7	-175.9	-171.5	41.4	0	0	0	112.2	E72 F126	N70-E72 VanDerWaalsContact C-N 3.32Å; N70-F126 WeakPolarHBondContact ND2-CE2 3.37Å
71	G	94.1	Very high	96.3	Very high	4 Å²	4	51.6 Å²	51.6	4%	0.041	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-3	-178.3	0	0	0	0	0	115.4	T69 K123 F124	T69-G71 PolarHBondContact O-N 2.96Å; G71-K123 CarbonylContact O-C 3.5Å; G71-K123 WeakPolarHBondContact O-CA 3.42Å; G71-F124 PolarHBondContact O-N 3.26Å
72	E	98	Very high	96.4	Very high	29 Å²	29	46.5 Å²	46.5	14%	0.136	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.6	173.9	-68.6	-176.4	157.4	0	0	111.6	E67 T69 N70 V115 Y122 K123	E67-E72 PolarHBondContact N-O 3.21Å; E67-E72 CarbonylContact O-C 3.55Å; E67-E72 VanDerWaalsContact O-C 3.31Å; E67-E72 WeakPolarHBondContact O-CB 3.38Å; T69-E72 PolarHBondContact N-OE2 3.41Å; T69-E72 WeakPolarHBondContact O-CB 3.34Å; T69-E72 PolarHBondContact O-N 3.36Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-OE1 2.94Å; T69-E72 PolarHBondContact OG1-OE2 3.35Å; N70-E72 VanDerWaalsContact C-N 3.32Å; E72-V115 HydrophobicContact CG-CG2 4.34Å; E72-Y122 WeakPolarHBondContact CA-O 3.27Å; E72-K123 HydrophobicContact CG-CB 3.84Å; E72-K123 HydrophobicContact CG-CD 3.39Å; E72-K123 HydrophobicContact CG-CG 3.58Å
73	F	98.3	Very high	96.5	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.3	178	70.6	-85.2	0	0	0	110.7	L51 L55 I64 T65 W66 M112 A121 Y122 F124	L51-F73 HydrophobicContact CD1-CE2 4.31Å; L51-F73 HydrophobicContact CD1-CZ 4.14Å; L55-F73 HydrophobicContact CD1-CB 3.88Å; L55-F73 HydrophobicContact CD1-CD1 4.19Å; L55-F73 HydrophobicContact CD1-CD2 4.03Å; L55-F73 HydrophobicContact CD1-CG 3.78Å; L55-F73 HydrophobicContact CD2-CB 3.99Å; I64-F73 HydrophobicContact CD1-CD2 3.96Å; I64-F73 HydrophobicContact CD1-CE2 4.14Å; I64-F73 HydrophobicContact CG1-CD2 4.16Å; T65-F73 VanDerWaalsContact O-CA 3.31Å; T65-F73 WeakPolarHBondContact O-CA 3.43Å; T65-F73 WeakPolarHBondContact O-CB 3.29Å; W66-F73 HydrophobicContact CE3-CB 3.84Å; W66-F73 HydrophobicContact CZ3-CB 4.13Å; W66-F73 HydrophobicContact CZ3-CD1 4.28Å; F73-M112 HydrophobicContact CZ-CE 4.42Å; F73-M112 HydrophobicContact CZ-SD 4.44Å; F73-A121 WeakPolarHBondContact O-CA 3.45Å; F73-Y122 WeakPolarHBondContact CD1-O 3.42Å; F73-Y122 HydrophobicContact CE2-CD2 4.2Å; F73-Y122 HydrophobicContact CE2-CG 4.5Å; F73-Y122 VanDerWaalsContact CZ-CB 3.5Å; F73-Y122 HydrophobicContact CZ-CD2 4.35Å; F73-Y122 HydrophobicContact CZ-CG 4.2Å; F73-Y122 PolarHBondContact N-O 3.04Å; F73-Y122 PolarHBondContact O-N 3.14Å; F73-Y122 VanDerWaalsContact O-O 3.08Å; F73-F124 AromaticContact CD1-CD2 3.66Å; F73-F124 HydrophobicContact CD1-CD2 3.66Å; F73-F124 AromaticContact CD1-CE2 3.62Å; F73-F124 HydrophobicContact CD1-CE2 3.62Å; F73-F124 AromaticContact CE1-CD2 3.49Å; F73-F124 HydrophobicContact CE1-CD2 3.49Å; F73-F124 VanDerWaalsContact CE1-CD2 3.49Å; F73-F124 AromaticContact CE1-CE2 3.28Å; F73-F124 HydrophobicContact CE1-CE2 3.28Å; F73-F124 HydrophobicContact CE1-CG 4.27Å; F73-F124 AromaticContact CE1-CZ 3.92Å; F73-F124 HydrophobicContact CE1-CZ 3.92Å; F73-F124 AromaticContact CZ-CE2 3.97Å; F73-F124 HydrophobicContact CZ-CE2 3.97Å; F73-F124 HydrophobicContact CZ-CZ 4.26Å
74	K	98.1	Very high	96.5	Very high	61 Å²	61	51 Å²	51	27%	0.265	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.5	174.1	61.9	171.2	167.6	-179.7	0	111.6	I64 T65 E67 I76 Y120 A121	I64-K74 WeakPolarHBondContact CA-O 3.31Å; T65-K74 HydrophobicContact CG2-CD 4.33Å; T65-K74 HydrophobicContact CG2-CG 3.82Å; T65-K74 PolarHBondContact N-O 3.4Å; T65-K74 PolarHBondContact O-N 2.96Å; E67-K74 HydrophobicContact CB-CD 4.27Å; E67-K74 HydrophobicContact CB-CG 4.12Å; E67-K74 WeakPolarHBondContact OE2-CD 3.24Å; E67-K74 WeakPolarHBondContact OE2-CE 3.08Å; E67-K74 IonicContact OE2-NZ 3.58Å; E67-K74 PolarHBondContact OE2-NZ 2.75Å; K74-I76 HydrophobicContact CD-CD1 3.57Å; K74-I76 HydrophobicContact CG-CD1 3.99Å; K74-Y120 WeakPolarHBondContact CA-O 3.42Å; K74-A121 HydrophobicContact CB-CB 4.48Å
75	L	98.4	Very high	96.5	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	109.4	166.5	-50.2	161.5	0	0	0	107	L51 C63 I64 P78 V81 Y96 Y120 Y122	L51-L75 HydrophobicContact CD2-CD2 4.45Å; C63-L75 CarbonylContact O-C 3.59Å; I64-L75 HydrophobicContact CB-CD2 4.42Å; I64-L75 HydrophobicContact CD1-CD2 3.76Å; I64-L75 HydrophobicContact CG1-CD2 4.01Å; L75-P78 HydrophobicContact CB-CB 4.2Å; L75-P78 HydrophobicContact CD1-CB 4.39Å; L75-V81 HydrophobicContact CD2-CB 3.98Å; L75-V81 HydrophobicContact CD2-CG1 3.75Å; L75-V81 HydrophobicContact CD2-CG2 3.76Å; L75-Y96 HydrophobicContact CD1-CD2 4.31Å; L75-Y96 HydrophobicContact CD1-CE2 3.71Å; L75-Y120 PolarHBondContact N-O 2.89Å; L75-Y122 HydrophobicContact CD1-CE2 3.92Å
76	I	98.3	Very high	96.5	Very high	81 Å²	81	50.9 Å²	50.9	42%	0.415	26%	0.261	S	S	.	.	S	Bend	trans	-68.6	-48.7	174	-59.5	-62.6	0	0	0	109.4	M61 S62 C63 T65 K74	M61-I76 WeakPolarHBondContact O-CG1 3.45Å; S62-I76 WeakPolarHBondContact O-CB 3.44Å; S62-I76 VanDerWaalsContact O-CG2 3.23Å; S62-I76 WeakPolarHBondContact O-CG2 3.27Å; C63-I76 PolarHBondContact O-N 3.35Å; T65-I76 HydrophobicContact CG2-CD1 3.96Å; T65-I76 HydrophobicContact CG2-CG1 4.02Å; K74-I76 HydrophobicContact CD-CD1 3.57Å; K74-I76 HydrophobicContact CG-CD1 3.99Å
77	D	98.5	Very high	96.4	Very high	67 Å²	67	51.9 Å²	51.9	36%	0.358	27%	0.271	S	S	.	.	S	Bend	trans	-120.5	89.1	176.7	-170.8	-22.8	0	0	0	108.1	C63 D79 E80 V81	C63-D77 HydrophobicContact CB-CB 4.03Å; C63-D77 PolarHBondContact O-N 3Å; C63-D77 VanDerWaalsContact O-N 3.1Å; D77-D79 PolarHBondContact O-N 3.48Å; D77-D79 PolarHBondContact OD1-N 3.28Å; D77-E80 HydrophobicContact CB-CB 3.96Å; D77-E80 VanDerWaalsContact CG-CB 3.49Å; D77-E80 PolarHBondContact O-N 2.96Å; D77-E80 PolarHBondContact OD1-N 3.36Å; D77-V81 WeakPolarHBondContact O-CG2 3.47Å; D77-V81 PolarHBondContact O-N 3.03Å; D77-V81 VanDerWaalsContact O-N 3.14Å
78	P	98.4	Very high	96.5	Very high	12 Å²	12	51.7 Å²	51.7	8%	0.078	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-27	-178.1	24.8	-33.1	0	0	0	113	L75 A82 Y96 Y120	L75-P78 HydrophobicContact CB-CB 4.2Å; L75-P78 HydrophobicContact CD1-CB 4.39Å; P78-A82 WeakPolarHBondContact O-CB 3.28Å; P78-A82 PolarHBondContact O-N 2.66Å; P78-Y96 HydrophobicContact CB-CD2 3.43Å; P78-Y96 VanDerWaalsContact CB-CD2 3.43Å; P78-Y96 HydrophobicContact CB-CE2 3.91Å; P78-Y96 HydrophobicContact CB-CG 3.83Å; P78-Y120 HydrophobicContact CB-CD1 4.23Å; P78-Y120 HydrophobicContact CB-CE1 4.42Å; P78-Y120 HydrophobicContact CG-CD1 4.23Å; P78-Y120 HydrophobicContact CG-CD2 4.35Å; P78-Y120 HydrophobicContact CG-CE1 4.12Å; P78-Y120 HydrophobicContact CG-CE2 4.26Å; P78-Y120 HydrophobicContact CG-CG 4.35Å
79	D	98.6	Very high	96.7	Very high	105 Å²	105	52.2 Å²	52.2	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-75.9	-42.4	179.9	-68.5	-43.3	0	0	0	110.8	D77 V81 A82 R83	D77-D79 PolarHBondContact O-N 3.48Å; D77-D79 PolarHBondContact OD1-N 3.28Å; D79-V81 VanDerWaalsContact C-N 3.34Å; D79-V81 PolarHBondContact O-N 3.35Å; D79-A82 CarbonylContact O-C 3.4Å; D79-A82 PolarHBondContact O-N 2.89Å; D79-R83 WeakPolarHBondContact O-CB 3.38Å; D79-R83 PolarHBondContact O-N 3.28Å
80	E	98.5	Very high	97	Very high	43 Å²	43	53.3 Å²	53.3	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-39.2	173.8	177.1	56.6	-165.2	0	0	111.9	C63 D77 A82 R83 R84	C63-E80 HydrophobicContact CB-CB 3.99Å; C63-E80 HydrophobicContact CB-CG 3.75Å; D77-E80 HydrophobicContact CB-CB 3.96Å; D77-E80 VanDerWaalsContact CG-CB 3.49Å; D77-E80 PolarHBondContact O-N 2.96Å; D77-E80 PolarHBondContact OD1-N 3.36Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.45Å; E80-R83 PolarHBondContact O-N 3.45Å; E80-R83 IonicContact OE1-CZ 3.79Å; E80-R83 IonicContact OE1-NE 2.94Å; E80-R83 IonicContact OE1-NH2 3.75Å; E80-R83 PolarHBondContact OE1-NH2 3.2Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 3.86Å; E80-R83 PolarHBondContact OE2-NE 3.35Å; E80-R83 IonicContact OE2-NH2 3.54Å; E80-R84 WeakPolarHBondContact O-CG 3.32Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 WeakPolarHBondContact OE1-CG 3.31Å; E80-R84 IonicContact OE1-CZ 3.43Å; E80-R84 IonicContact OE1-NE 3.57Å; E80-R84 PolarHBondContact OE1-NE 2.95Å; E80-R84 IonicContact OE1-NH2 3.62Å
81	V	98.6	Very high	97.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-41.2	174.1	176.5	0	0	0	0	110.9	F50 L51 L54 C63 I64 L75 D77 D79 W85 L99	F50-V81 HydrophobicContact CE1-CG1 4.47Å; L51-V81 HydrophobicContact CD2-CG1 3.81Å; L54-V81 HydrophobicContact CD1-CG1 4.3Å; C63-V81 HydrophobicContact CB-CG2 4Å; C63-V81 WeakPolarHBondContact O-CG2 3.46Å; I64-V81 HydrophobicContact CB-CG2 3.99Å; I64-V81 HydrophobicContact CG2-CG2 4.48Å; L75-V81 HydrophobicContact CD2-CB 3.98Å; L75-V81 HydrophobicContact CD2-CG1 3.75Å; L75-V81 HydrophobicContact CD2-CG2 3.76Å; D77-V81 WeakPolarHBondContact O-CG2 3.47Å; D77-V81 PolarHBondContact O-N 3.03Å; D77-V81 VanDerWaalsContact O-N 3.14Å; D79-V81 VanDerWaalsContact C-N 3.34Å; D79-V81 PolarHBondContact O-N 3.35Å; V81-W85 WeakPolarHBondContact O-CB 3.4Å; V81-W85 PolarHBondContact O-N 3.41Å; V81-L99 HydrophobicContact CG1-CD1 4.14Å
82	A	98.5	Very high	97.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-38.7	175.7	0	0	0	0	0	112.6	P78 D79 E80 W85 G86 M94 L99	P78-A82 WeakPolarHBondContact O-CB 3.28Å; P78-A82 PolarHBondContact O-N 2.66Å; D79-A82 CarbonylContact O-C 3.4Å; D79-A82 PolarHBondContact O-N 2.89Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.45Å; A82-W85 PolarHBondContact O-N 3.01Å; A82-G86 PolarHBondContact O-N 3.35Å; A82-M94 HydrophobicContact CB-CG 4.43Å; A82-M94 WeakPolarHBondContact O-CG 3.36Å; A82-L99 HydrophobicContact CB-CB 4.49Å; A82-L99 HydrophobicContact CB-CD1 4.15Å
83	R	98.5	Very high	97	Very high	112 Å²	112	61.2 Å²	61.2	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-50.6	175.4	-169.5	-160.3	65.7	70.3	1	110.9	D79 E80 W85 G86 E87	D79-R83 WeakPolarHBondContact O-CB 3.38Å; D79-R83 PolarHBondContact O-N 3.28Å; E80-R83 PolarHBondContact O-N 3.45Å; E80-R83 IonicContact OE1-CZ 3.79Å; E80-R83 IonicContact OE1-NE 2.94Å; E80-R83 IonicContact OE1-NH2 3.75Å; E80-R83 PolarHBondContact OE1-NH2 3.2Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 3.86Å; E80-R83 PolarHBondContact OE2-NE 3.35Å; E80-R83 IonicContact OE2-NH2 3.54Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 2.72Å; R83-G86 CarbonylContact O-C 3.6Å; R83-G86 WeakPolarHBondContact O-CA 3.41Å; R83-G86 PolarHBondContact O-N 3.27Å; R83-G86 VanDerWaalsContact O-N 3.1Å; R83-E87 IonicContact CZ-OE2 4Å; R83-E87 IonicContact NH1-OE2 3.89Å; R83-E87 PolarHBondContact NH1-OE2 3Å; R83-E87 IonicContact NH2-OE2 2.85Å; R83-E87 PolarHBondContact O-N 3.36Å
84	R	97.9	Very high	97	Very high	68 Å²	68	62.2 Å²	62.2	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-35.9	177.3	-69.7	-175.1	-177.4	-159.5	2.6	112.5	F50 N60 E80 E87 R88	F50-R84 HydrophobicContact CZ-CB 3.85Å; N60-R84 PolarHBondContact OD1-NH1 3.39Å; E80-R84 WeakPolarHBondContact O-CG 3.32Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 WeakPolarHBondContact OE1-CG 3.31Å; E80-R84 IonicContact OE1-CZ 3.43Å; E80-R84 IonicContact OE1-NE 3.57Å; E80-R84 PolarHBondContact OE1-NE 2.95Å; E80-R84 IonicContact OE1-NH2 3.62Å; R84-E87 PolarHBondContact O-N 3.05Å; R84-R88 WeakPolarHBondContact O-CB 3.46Å; R84-R88 PolarHBondContact O-N 3.33Å
85	W	97.8	Very high	97.1	Very high	16 Å²	16	62.1 Å²	62.1	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-41.1	172.6	177.4	-124.5	0	0	0	112	I45 L47 F50 V81 A82 R83 R88 K89 M94 L99	I45-W85 HydrophobicContact CG2-CZ3 3.98Å; I45-W85 WeakPolarHBondContact O-CH2 3.31Å; L47-W85 HydrophobicContact CB-CH2 4.08Å; L47-W85 HydrophobicContact CB-CZ2 3.9Å; L47-W85 HydrophobicContact CD1-CD2 3.85Å; L47-W85 HydrophobicContact CD1-CE3 4.2Å; L47-W85 HydrophobicContact CD1-CG 4.09Å; L47-W85 HydrophobicContact CD1-CZ2 4.38Å; F50-W85 HydrophobicContact CB-CE3 3.85Å; F50-W85 HydrophobicContact CB-CZ3 3.6Å; F50-W85 HydrophobicContact CD1-CB 4.3Å; F50-W85 HydrophobicContact CD1-CD2 4.23Å; F50-W85 AromaticContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CE3 3.49Å; F50-W85 VanDerWaalsContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CZ3 4.16Å; F50-W85 HydrophobicContact CD2-CE3 4.08Å; F50-W85 HydrophobicContact CD2-CZ3 4.42Å; F50-W85 HydrophobicContact CE1-CB 3.74Å; F50-W85 HydrophobicContact CE1-CE3 4Å; F50-W85 HydrophobicContact CE1-CG 4.47Å; F50-W85 AromaticContact CG-CE3 3.52Å; F50-W85 HydrophobicContact CG-CE3 3.52Å; F50-W85 AromaticContact CG-CZ3 3.81Å; F50-W85 HydrophobicContact CG-CZ3 3.81Å; F50-W85 HydrophobicContact CZ-CB 4.21Å; F50-W85 HydrophobicContact CZ-CE3 4.48Å; V81-W85 WeakPolarHBondContact O-CB 3.4Å; V81-W85 PolarHBondContact O-N 3.41Å; A82-W85 PolarHBondContact O-N 3.01Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 2.72Å; W85-R88 HydrophobicContact CE3-CB 4.36Å; W85-R88 HydrophobicContact CE3-CG 4.47Å; W85-R88 HydrophobicContact CZ3-CG 4.44Å; W85-R88 PolarHBondContact O-N 3.26Å; W85-K89 HydrophobicContact CD2-CG 3.93Å; W85-K89 HydrophobicContact CE3-CG 3.94Å; W85-K89 HydrophobicContact CH2-CD 3.57Å; W85-K89 HydrophobicContact CH2-CG 3.53Å; W85-K89 HydrophobicContact CZ2-CD 3.88Å; W85-K89 HydrophobicContact CZ2-CG 3.49Å; W85-K89 VanDerWaalsContact CZ2-CG 3.49Å; W85-K89 HydrophobicContact CZ3-CD 4.02Å; W85-K89 HydrophobicContact CZ3-CG 3.76Å; W85-K89 WeakPolarHBondContact O-CB 3.45Å; W85-K89 PolarHBondContact O-N 3.35Å; W85-M94 VanDerWaalsContact CD1-CE 3.49Å; W85-L99 HydrophobicContact CB-CD1 3.97Å; W85-L99 HydrophobicContact CG-CD1 4.17Å
86	G	97.1	Very high	97.1	Very high	3 Å²	3	63.6 Å²	63.6	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-49.9	172.6	0	0	0	0	0	111.5	A82 R83 K89 S90 K91 M94	A82-G86 PolarHBondContact O-N 3.35Å; R83-G86 CarbonylContact O-C 3.6Å; R83-G86 WeakPolarHBondContact O-CA 3.41Å; R83-G86 PolarHBondContact O-N 3.27Å; R83-G86 VanDerWaalsContact O-N 3.1Å; G86-K89 CarbonylContact O-C 3.54Å; G86-K89 PolarHBondContact O-N 3.2Å; G86-S90 CarbonylContact O-C 3.53Å; G86-S90 WeakPolarHBondContact O-CA 3.46Å; G86-S90 PolarHBondContact O-N 3.06Å; G86-K91 VanDerWaalsContact CA-O 3.3Å; G86-K91 WeakPolarHBondContact CA-O 3.15Å; G86-K91 PolarHBondContact O-N 2.94Å; G86-M94 VanDerWaalsContact CA-CB 3.47Å
87	E	96.4	Very high	97.1	Very high	130 Å²	130	65.3 Å²	65.3	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-57	-49.2	174.6	-180	167.8	-140.7	0	0	111.7	R83 R84 K89 S90	R83-E87 IonicContact CZ-OE2 4Å; R83-E87 IonicContact NH1-OE2 3.89Å; R83-E87 PolarHBondContact NH1-OE2 3Å; R83-E87 IonicContact NH2-OE2 2.85Å; R83-E87 PolarHBondContact O-N 3.36Å; R84-E87 PolarHBondContact O-N 3.05Å; E87-K89 VanDerWaalsContact C-N 3.25Å; E87-K89 PolarHBondContact O-N 3.31Å; E87-S90 PolarHBondContact O-N 3.33Å; E87-S90 VanDerWaalsContact O-N 3.17Å
88	R	95.4	Very high	97.1	Very high	64 Å²	64	67.3 Å²	67.3	24%	0.242	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-32.2	179.1	-175	61.4	65	87.2	0.1	113.8	I45 F50 E53 R84 W85	I45-R88 HydrophobicContact CG2-CG 3.47Å; I45-R88 VanDerWaalsContact CG2-CG 3.47Å; F50-R88 HydrophobicContact CD2-CB 4.34Å; F50-R88 HydrophobicContact CD2-CG 4.05Å; F50-R88 HydrophobicContact CE2-CB 4.12Å; F50-R88 HydrophobicContact CE2-CG 4.29Å; E53-R88 VanDerWaalsContact CD-NH1 3.31Å; E53-R88 IonicContact OE1-CZ 3.58Å; E53-R88 IonicContact OE1-NH1 2.77Å; E53-R88 PolarHBondContact OE1-NH1 3.34Å; E53-R88 IonicContact OE1-NH2 2.79Å; E53-R88 PolarHBondContact OE1-NH2 3.09Å; E53-R88 IonicContact OE2-CZ 3.04Å; E53-R88 IonicContact OE2-NH1 3.35Å; E53-R88 PolarHBondContact OE2-NH1 3.13Å; E53-R88 IonicContact OE2-NH2 3.61Å; R84-R88 WeakPolarHBondContact O-CB 3.46Å; R84-R88 PolarHBondContact O-N 3.33Å; W85-R88 HydrophobicContact CE3-CB 4.36Å; W85-R88 HydrophobicContact CE3-CG 4.47Å; W85-R88 HydrophobicContact CZ3-CG 4.44Å; W85-R88 PolarHBondContact O-N 3.26Å
89	K	93.6	Very high	97.1	Very high	73 Å²	73	66.7 Å²	66.7	32%	0.317	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	4	-179	-66.9	-65.7	-63	-176.8	0	113.5	G43 W85 G86 E87 K91	G43-K89 WeakPolarHBondContact O-CD 3.44Å; G43-K89 WeakPolarHBondContact O-CE 3.35Å; G43-K89 PolarHBondContact O-NZ 3.05Å; W85-K89 HydrophobicContact CD2-CG 3.93Å; W85-K89 HydrophobicContact CE3-CG 3.94Å; W85-K89 HydrophobicContact CH2-CD 3.57Å; W85-K89 HydrophobicContact CH2-CG 3.53Å; W85-K89 HydrophobicContact CZ2-CD 3.88Å; W85-K89 HydrophobicContact CZ2-CG 3.49Å; W85-K89 VanDerWaalsContact CZ2-CG 3.49Å; W85-K89 HydrophobicContact CZ3-CD 4.02Å; W85-K89 HydrophobicContact CZ3-CG 3.76Å; W85-K89 WeakPolarHBondContact O-CB 3.45Å; W85-K89 PolarHBondContact O-N 3.35Å; G86-K89 CarbonylContact O-C 3.54Å; G86-K89 PolarHBondContact O-N 3.2Å; E87-K89 VanDerWaalsContact C-N 3.25Å; E87-K89 PolarHBondContact O-N 3.31Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 HydrophobicContact CB-CD 4.09Å; K89-K91 HydrophobicContact CB-CG 4.05Å; K89-K91 PolarHBondContact O-N 3.3Å
90	S	94	Very high	97.1	Very high	108 Å²	108	62 Å²	62	76%	0.755	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.8	-170.9	-53.7	0	0	0	0	113.5	G86 E87 P92	G86-S90 CarbonylContact O-C 3.53Å; G86-S90 WeakPolarHBondContact O-CA 3.46Å; G86-S90 PolarHBondContact O-N 3.06Å; E87-S90 PolarHBondContact O-N 3.33Å; E87-S90 VanDerWaalsContact O-N 3.17Å; S90-P92 WeakPolarHBondContact O-CD 3.48Å
91	K	94.2	Very high	97	Very high	108 Å²	108	65.3 Å²	65.3	47%	0.47	32%	0.316	S	S	.	.			trans	-113.9	90	178.3	-66.3	-176.7	67.9	175.9	0	109.8	G86 K89 N93 M94	G86-K91 VanDerWaalsContact CA-O 3.3Å; G86-K91 WeakPolarHBondContact CA-O 3.15Å; G86-K91 PolarHBondContact O-N 2.94Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 HydrophobicContact CB-CD 4.09Å; K89-K91 HydrophobicContact CB-CG 4.05Å; K89-K91 PolarHBondContact O-N 3.3Å; K91-N93 VanDerWaalsContact C-N 3.25Å; K91-N93 PolarHBondContact O-N 2.8Å; K91-M94 HydrophobicContact CB-CB 4.44Å; K91-M94 HydrophobicContact CB-CE 4.06Å; K91-M94 HydrophobicContact CD-CE 3.7Å; K91-M94 HydrophobicContact CG-CE 4.48Å; K91-M94 VanDerWaalsContact O-CB 3.29Å; K91-M94 WeakPolarHBondContact O-CB 3.32Å; K91-M94 PolarHBondContact O-N 3.18Å; K91-M94 VanDerWaalsContact O-N 3.14Å
92	P	92.9	Very high	96.9	Very high	115 Å²	115	65.4 Å²	65.4	75%	0.747	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28	-172.6	25.3	-34.6	0	0	0	113.3	S90 M94	S90-P92 WeakPolarHBondContact O-CD 3.48Å; P92-M94 VanDerWaalsContact C-N 3.26Å; P92-M94 PolarHBondContact O-N 3.47Å
93	N	96.1	Very high	96.9	Very high	114 Å²	114	65.4 Å²	65.4	61%	0.61	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	26.9	178.2	-60.6	-39.1	0	0	0	112.8	K91 K98	K91-N93 VanDerWaalsContact C-N 3.25Å; K91-N93 PolarHBondContact O-N 2.8Å; N93-K98 PolarHBondContact O-NZ 3.46Å
94	M	98.3	Very high	96.9	Very high	22 Å²	22	65.9 Å²	65.9	11%	0.108	32%	0.319	C	S	.	.			trans	-75.6	139.2	174.7	-171.8	60.5	69.5	0	0	110.3	A82 W85 G86 K91 P92 K98	A82-M94 HydrophobicContact CB-CG 4.43Å; A82-M94 WeakPolarHBondContact O-CG 3.36Å; W85-M94 VanDerWaalsContact CD1-CE 3.49Å; G86-M94 VanDerWaalsContact CA-CB 3.47Å; K91-M94 HydrophobicContact CB-CB 4.44Å; K91-M94 HydrophobicContact CB-CE 4.06Å; K91-M94 HydrophobicContact CD-CE 3.7Å; K91-M94 HydrophobicContact CG-CE 4.48Å; K91-M94 VanDerWaalsContact O-CB 3.29Å; K91-M94 WeakPolarHBondContact O-CB 3.32Å; K91-M94 PolarHBondContact O-N 3.18Å; K91-M94 VanDerWaalsContact O-N 3.14Å; P92-M94 VanDerWaalsContact C-N 3.26Å; P92-M94 PolarHBondContact O-N 3.47Å; M94-K98 HydrophobicContact SD-CB 3.96Å
95	N	98.5	Very high	96.9	Very high	59 Å²	59	68 Å²	68	32%	0.316	33%	0.328	S	S	.	.			trans	-148.2	173.5	176.8	65.6	13.4	0	0	0	110.1	D97 K98 L99	N95-D97 VanDerWaalsContact C-N 3.33Å; N95-D97 PolarHBondContact O-N 3.05Å; N95-D97 PolarHBondContact OD1-N 3.22Å; N95-K98 PolarHBondContact O-N 2.83Å; N95-K98 WeakPolarHBondContact OD1-CB 3.47Å; N95-K98 VanDerWaalsContact OD1-CG 3.27Å; N95-K98 WeakPolarHBondContact OD1-CG 3.18Å; N95-K98 PolarHBondContact OD1-N 3.33Å; N95-L99 WeakPolarHBondContact O-CB 3.48Å; N95-L99 PolarHBondContact O-N 3.37Å
96	Y	98.6	Very high	96.8	Very high	36 Å²	36	67.4 Å²	67.4	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-36.3	-178.5	176.5	-102.8	0	0	0	112.9	L75 P78 K98 L99 S100 Y120 Y122	L75-Y96 HydrophobicContact CD1-CD2 4.31Å; L75-Y96 HydrophobicContact CD1-CE2 3.71Å; P78-Y96 HydrophobicContact CB-CD2 3.43Å; P78-Y96 VanDerWaalsContact CB-CD2 3.43Å; P78-Y96 HydrophobicContact CB-CE2 3.91Å; P78-Y96 HydrophobicContact CB-CG 3.83Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 2.94Å; Y96-L99 HydrophobicContact CD2-CD2 4.48Å; Y96-L99 PolarHBondContact O-N 2.93Å; Y96-S100 WeakPolarHBondContact O-CB 3.45Å; Y96-S100 PolarHBondContact O-N 3.15Å; Y96-S100 PolarHBondContact O-OG 3.31Å; Y96-Y120 HydrophobicContact CD1-CE1 4.2Å; Y96-Y120 AromaticContact CE1-CD1 3.9Å; Y96-Y120 HydrophobicContact CE1-CD1 3.9Å; Y96-Y120 AromaticContact CE1-CE1 3.57Å; Y96-Y120 HydrophobicContact CE1-CE1 3.57Å; Y96-Y120 AromaticContact CE2-CD1 4Å; Y96-Y120 HydrophobicContact CE2-CD1 4Å; Y96-Y120 HydrophobicContact CE2-CE1 4.4Å; Y96-Y120 AromaticContact CZ-CD1 3.48Å; Y96-Y120 VanDerWaalsContact CZ-CD1 3.48Å; Y96-Y120 AromaticContact CZ-CE1 3.69Å; Y96-Y120 WeakPolarHBondContact OH-CD1 3.45Å; Y96-Y122 PolarHBondContact OH-OH 2.96Å
97	D	98.3	Very high	96.8	Very high	117 Å²	117	70.1 Å²	70.1	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-57.2	-47.2	177.1	-67.7	-74.7	0	0	0	112.1	N95 S100 R101	N95-D97 VanDerWaalsContact C-N 3.33Å; N95-D97 PolarHBondContact O-N 3.05Å; N95-D97 PolarHBondContact OD1-N 3.22Å; D97-S100 PolarHBondContact O-OG 3.26Å; D97-R101 PolarHBondContact O-N 3.42Å
98	K	98	Very high	96.7	Very high	108 Å²	108	71.1 Å²	71.1	47%	0.47	35%	0.345	S	S	.	.	H	α-helix	trans	-68	-41.7	178	-68.3	170.5	-171.1	175.5	0	111.9	N93 M94 N95 Y96 R101 A102	N93-K98 PolarHBondContact O-NZ 3.46Å; M94-K98 HydrophobicContact SD-CB 3.96Å; N95-K98 PolarHBondContact O-N 2.83Å; N95-K98 WeakPolarHBondContact OD1-CB 3.47Å; N95-K98 VanDerWaalsContact OD1-CG 3.27Å; N95-K98 WeakPolarHBondContact OD1-CG 3.18Å; N95-K98 PolarHBondContact OD1-N 3.33Å; Y96-K98 VanDerWaalsContact C-N 3.34Å; Y96-K98 PolarHBondContact O-N 2.94Å; K98-R101 WeakPolarHBondContact O-CB 3.25Å; K98-R101 PolarHBondContact O-N 3.02Å; K98-A102 PolarHBondContact O-N 3.18Å
99	L	98.5	Very high	96.5	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-46.1	176.7	-175.6	152.6	0	0	0	110.9	L47 V81 A82 W85 N95 Y96 R101 A102 L103	L47-L99 HydrophobicContact CD1-CD1 4.13Å; L47-L99 HydrophobicContact CD1-CG 4.18Å; L47-L99 HydrophobicContact CD2-CD2 4.46Å; L47-L99 HydrophobicContact CD2-CG 4.15Å; V81-L99 HydrophobicContact CG1-CD1 4.14Å; A82-L99 HydrophobicContact CB-CB 4.49Å; A82-L99 HydrophobicContact CB-CD1 4.15Å; W85-L99 HydrophobicContact CB-CD1 3.97Å; W85-L99 HydrophobicContact CG-CD1 4.17Å; N95-L99 WeakPolarHBondContact O-CB 3.48Å; N95-L99 PolarHBondContact O-N 3.37Å; Y96-L99 HydrophobicContact CD2-CD2 4.48Å; Y96-L99 PolarHBondContact O-N 2.93Å; L99-R101 PolarHBondContact O-N 3.44Å; L99-A102 WeakPolarHBondContact O-CA 3.44Å; L99-A102 VanDerWaalsContact O-CB 3.25Å; L99-A102 WeakPolarHBondContact O-CB 3.24Å; L99-A102 PolarHBondContact O-N 2.76Å; L99-L103 HydrophobicContact CD2-CD1 3.59Å; L99-L103 HydrophobicContact CD2-CD2 4.48Å; L99-L103 HydrophobicContact CD2-CG 3.93Å; L99-L103 PolarHBondContact O-N 3.49Å
100	S	98.4	Very high	96.6	Very high	6 Å²	6	74 Å²	74	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-29.1	178.4	78.9	0	0	0	0	111.9	Y96 D97 A102 L103 R104	Y96-S100 WeakPolarHBondContact O-CB 3.45Å; Y96-S100 PolarHBondContact O-N 3.15Å; Y96-S100 PolarHBondContact O-OG 3.31Å; D97-S100 PolarHBondContact O-OG 3.26Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-L103 PolarHBondContact O-N 2.89Å; S100-R104 WeakPolarHBondContact O-CG 3.36Å; S100-R104 PolarHBondContact O-N 3.49Å; S100-R104 VanDerWaalsContact O-N 3.09Å; S100-R104 PolarHBondContact OG-NH1 3.39Å
101	R	98.3	Very high	96.7	Very high	112 Å²	112	68.9 Å²	68.9	42%	0.423	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-39.9	171.8	-172.7	66.1	-167.8	89.6	-12.4	111.9	D97 K98 L99 Y105	D97-R101 PolarHBondContact O-N 3.42Å; K98-R101 WeakPolarHBondContact O-CB 3.25Å; K98-R101 PolarHBondContact O-N 3.02Å; L99-R101 PolarHBondContact O-N 3.44Å; R101-Y105 HydrophobicContact CG-CE2 4.03Å; R101-Y105 VanDerWaalsContact NH1-CD1 3.33Å; R101-Y105 VanDerWaalsContact NH1-CE2 3.33Å; R101-Y105 VanDerWaalsContact NH2-CZ 3.27Å; R101-Y105 PolarHBondContact NH2-OH 3.11Å; R101-Y105 VanDerWaalsContact NH2-OH 3.11Å; R101-Y105 VanDerWaalsContact O-CD2 3.24Å; R101-Y105 WeakPolarHBondContact O-CD2 3.37Å
102	A	96.3	Very high	96.8	Very high	3 Å²	3	63.8 Å²	63.8	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-44.2	174	0	0	0	0	0	112.6	W31 L47 K98 L99 S100 R104 Y105	W31-A102 HydrophobicContact CH2-CB 3.27Å; W31-A102 HydrophobicContact CZ2-CB 3.92Å; W31-A102 HydrophobicContact CZ3-CB 4.13Å; L47-A102 HydrophobicContact CD2-CB 3.52Å; K98-A102 PolarHBondContact O-N 3.18Å; L99-A102 WeakPolarHBondContact O-CA 3.44Å; L99-A102 VanDerWaalsContact O-CB 3.25Å; L99-A102 WeakPolarHBondContact O-CB 3.24Å; L99-A102 PolarHBondContact O-N 2.76Å; S100-A102 VanDerWaalsContact C-N 3.32Å; A102-R104 VanDerWaalsContact C-N 3.26Å; A102-R104 PolarHBondContact O-N 2.85Å; A102-Y105 WeakPolarHBondContact O-CB 3.47Å; A102-Y105 PolarHBondContact O-N 3.42Å
103	L	98.2	Very high	97.1	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-38.2	177.2	-61.2	178.2	0	0	0	112.1	L47 L51 L99 S100 Y105 Y106 Y107 M112 Y122	L47-L103 HydrophobicContact CD2-CD2 3.58Å; L47-L103 HydrophobicContact CD2-CG 4.08Å; L47-L103 HydrophobicContact CG-CD2 4.14Å; L51-L103 HydrophobicContact CD1-CD2 3.64Å; L99-L103 HydrophobicContact CD2-CD1 3.59Å; L99-L103 HydrophobicContact CD2-CD2 4.48Å; L99-L103 HydrophobicContact CD2-CG 3.93Å; L99-L103 PolarHBondContact O-N 3.49Å; S100-L103 PolarHBondContact O-N 2.89Å; L103-Y105 VanDerWaalsContact C-N 3.27Å; L103-Y105 PolarHBondContact O-N 2.75Å; L103-Y106 HydrophobicContact CD2-CD2 4.35Å; L103-Y106 WeakPolarHBondContact O-CB 3.42Å; L103-Y106 PolarHBondContact O-N 3.14Å; L103-Y107 WeakPolarHBondContact O-CD1 3.43Å; L103-Y107 VanDerWaalsContact O-CE1 3.31Å; L103-Y107 WeakPolarHBondContact O-CE1 3.48Å; L103-M112 HydrophobicContact CB-SD 4.37Å; L103-M112 HydrophobicContact CD2-CE 4.06Å; L103-M112 HydrophobicContact CD2-SD 3.59Å; L103-M112 VanDerWaalsContact CD2-SD 3.59Å; L103-M112 HydrophobicContact CG-SD 4.5Å; L103-Y122 HydrophobicContact CB-CE1 4.13Å; L103-Y122 HydrophobicContact CD1-CD1 4.38Å; L103-Y122 HydrophobicContact CD1-CD2 4.31Å; L103-Y122 HydrophobicContact CD1-CE1 3.84Å; L103-Y122 HydrophobicContact CD1-CE2 3.79Å
104	R	97.9	Very high	97.1	Very high	121 Å²	121	59.4 Å²	59.4	46%	0.457	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-33.4	175.5	-74.9	-178.4	178.1	102.5	-11.5	113.2	S100 A102 Y106 Y107	S100-R104 WeakPolarHBondContact O-CG 3.36Å; S100-R104 PolarHBondContact O-N 3.49Å; S100-R104 VanDerWaalsContact O-N 3.09Å; S100-R104 PolarHBondContact OG-NH1 3.39Å; A102-R104 VanDerWaalsContact C-N 3.26Å; A102-R104 PolarHBondContact O-N 2.85Å; R104-Y106 PolarHBondContact O-N 3.34Å; R104-Y107 HydrophobicContact CB-CE2 4.11Å; R104-Y107 HydrophobicContact CG-CE2 3.75Å; R104-Y107 PolarHBondContact O-N 3.34Å
105	Y	97.1	Very high	97.1	Very high	112 Å²	112	59.5 Å²	59.5	44%	0.439	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.5	176.1	-66.6	-57.4	0	0	0	113.4	R101 A102 L103 K109	R101-Y105 HydrophobicContact CG-CE2 4.03Å; R101-Y105 VanDerWaalsContact NH1-CD1 3.33Å; R101-Y105 VanDerWaalsContact NH1-CE2 3.33Å; R101-Y105 VanDerWaalsContact NH2-CZ 3.27Å; R101-Y105 PolarHBondContact NH2-OH 3.11Å; R101-Y105 VanDerWaalsContact NH2-OH 3.11Å; R101-Y105 VanDerWaalsContact O-CD2 3.24Å; R101-Y105 WeakPolarHBondContact O-CD2 3.37Å; A102-Y105 WeakPolarHBondContact O-CB 3.47Å; A102-Y105 PolarHBondContact O-N 3.42Å; L103-Y105 VanDerWaalsContact C-N 3.27Å; L103-Y105 PolarHBondContact O-N 2.75Å; Y105-K109 WeakPolarHBondContact O-CG 3.15Å
106	Y	97.4	Very high	97	Very high	5 Å²	5	64.4 Å²	64.4	2%	0.02	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.8	177.5	-68.2	-35.3	0	0	0	114.4	L47 W48 L103 R104 K109 N110 I111 M112	L47-Y106 HydrophobicContact CB-CE2 4.09Å; L47-Y106 HydrophobicContact CD2-CE2 4.29Å; L47-Y106 HydrophobicContact CG-CE2 4.33Å; W48-Y106 HydrophobicContact CB-CE2 3.97Å; W48-Y106 AromaticContact CD1-CZ 3.89Å; W48-Y106 PolarHBondContact N-OH 2.88Å; L103-Y106 HydrophobicContact CD2-CD2 4.35Å; L103-Y106 WeakPolarHBondContact O-CB 3.42Å; L103-Y106 PolarHBondContact O-N 3.14Å; R104-Y106 PolarHBondContact O-N 3.34Å; Y106-K109 HydrophobicContact CD1-CD 4.43Å; Y106-K109 PolarHBondContact O-N 2.84Å; Y106-N110 PolarHBondContact O-N 3.4Å; Y106-I111 HydrophobicContact CD1-CB 4.22Å; Y106-I111 HydrophobicContact CD1-CD1 3.58Å; Y106-I111 HydrophobicContact CD1-CG2 4.2Å; Y106-I111 HydrophobicContact CD2-CG2 4.31Å; Y106-I111 HydrophobicContact CE1-CD1 3.9Å; Y106-I111 HydrophobicContact CG-CB 4.17Å; Y106-I111 HydrophobicContact CG-CD1 4.38Å; Y106-I111 HydrophobicContact CG-CG2 3.98Å; Y106-I111 PolarHBondContact O-N 3.1Å; Y106-M112 CarbonylContact C-O 3.56Å; Y106-M112 HydrophobicContact CD2-CE 3.8Å; Y106-M112 HydrophobicContact CD2-CG 4.18Å; Y106-M112 HydrophobicContact CD2-SD 3.99Å; Y106-M112 HydrophobicContact CE2-CE 4.33Å; Y106-M112 HydrophobicContact CG-CG 4.36Å
107	Y	96.6	Very high	96.9	Very high	59 Å²	59	67.1 Å²	67.1	23%	0.231	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-52.4	-178.3	-58.8	-10.6	0	0	0	110.9	L103 R104 K109 N110 M112 K114	L103-Y107 WeakPolarHBondContact O-CD1 3.43Å; L103-Y107 VanDerWaalsContact O-CE1 3.31Å; L103-Y107 WeakPolarHBondContact O-CE1 3.48Å; R104-Y107 HydrophobicContact CB-CE2 4.11Å; R104-Y107 HydrophobicContact CG-CE2 3.75Å; R104-Y107 PolarHBondContact O-N 3.34Å; Y107-K109 PolarHBondContact O-N 3.33Å; Y107-N110 PolarHBondContact O-N 3.14Å; Y107-M112 WeakPolarHBondContact CA-O 3.48Å; Y107-M112 WeakPolarHBondContact CD1-O 3.37Å; Y107-K114 HydrophobicContact CE1-CB 4.33Å; Y107-K114 HydrophobicContact CE2-CB 4.37Å
108	D	94	Very high	96.8	Very high	151 Å²	151	65.7 Å²	65.7	81%	0.807	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.2	-179.9	-54.2	-25.6	0	0	0	112.7
109	K	92.1	Very high	96.7	Very high	111 Å²	111	69.8 Å²	69.8	48%	0.483	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	3.4	178.3	-64.6	-172.2	65.8	176	0	113.2	Y105 Y106 Y107 I111	Y105-K109 WeakPolarHBondContact O-CG 3.15Å; Y106-K109 HydrophobicContact CD1-CD 4.43Å; Y106-K109 PolarHBondContact O-N 2.84Å; Y107-K109 PolarHBondContact O-N 3.33Å; K109-I111 HydrophobicContact CB-CD1 3.87Å; K109-I111 HydrophobicContact CB-CG1 4.13Å; K109-I111 HydrophobicContact CD-CD1 4.31Å; K109-I111 PolarHBondContact O-N 3.48Å
110	N	95.3	Very high	96.7	Very high	88 Å²	88	73.1 Å²	73.1	47%	0.471	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	30.4	-176	-55.6	98.4	0	0	0	113	Y106 Y107 D125 G128	Y106-N110 PolarHBondContact O-N 3.4Å; Y107-N110 PolarHBondContact O-N 3.14Å; N110-D125 WeakPolarHBondContact O-CB 3.33Å; N110-G128 WeakPolarHBondContact O-CA 3.27Å
111	I	95.9	Very high	96.7	Very high	0 Å²	0	73 Å²	73	0%	0	35%	0.349	C	S	.	.	S	Bend	trans	-90.2	-42.7	178	-73.9	165.8	0	0	0	109.5	W48 Y106 K109 D125 L129 V132	W48-I111 HydrophobicContact CB-CG2 3.82Å; W48-I111 HydrophobicContact CG-CG2 4.13Å; Y106-I111 HydrophobicContact CD1-CB 4.22Å; Y106-I111 HydrophobicContact CD1-CD1 3.58Å; Y106-I111 HydrophobicContact CD1-CG2 4.2Å; Y106-I111 HydrophobicContact CD2-CG2 4.31Å; Y106-I111 HydrophobicContact CE1-CD1 3.9Å; Y106-I111 HydrophobicContact CG-CB 4.17Å; Y106-I111 HydrophobicContact CG-CD1 4.38Å; Y106-I111 HydrophobicContact CG-CG2 3.98Å; Y106-I111 PolarHBondContact O-N 3.1Å; K109-I111 HydrophobicContact CB-CD1 3.87Å; K109-I111 HydrophobicContact CB-CG1 4.13Å; K109-I111 HydrophobicContact CD-CD1 4.31Å; K109-I111 PolarHBondContact O-N 3.48Å; I111-D125 PolarHBondContact O-N 3.22Å; I111-L129 HydrophobicContact CG2-CD2 3.91Å; I111-V132 HydrophobicContact CD1-CG2 3.94Å; I111-V132 HydrophobicContact CG1-CG2 3.86Å
112	M	97.2	Very high	96.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	166.2	175.6	64.1	175.4	68.4	0	0	110.6	W48 L51 F73 L103 Y106 Y107 K123 F124	W48-M112 HydrophobicContact CB-CE 4.27Å; L51-M112 HydrophobicContact CD1-CE 4.19Å; F73-M112 HydrophobicContact CZ-CE 4.42Å; F73-M112 HydrophobicContact CZ-SD 4.44Å; L103-M112 HydrophobicContact CB-SD 4.37Å; L103-M112 HydrophobicContact CD2-CE 4.06Å; L103-M112 HydrophobicContact CD2-SD 3.59Å; L103-M112 VanDerWaalsContact CD2-SD 3.59Å; L103-M112 HydrophobicContact CG-SD 4.5Å; Y106-M112 CarbonylContact C-O 3.56Å; Y106-M112 HydrophobicContact CD2-CE 3.8Å; Y106-M112 HydrophobicContact CD2-CG 4.18Å; Y106-M112 HydrophobicContact CD2-SD 3.99Å; Y106-M112 HydrophobicContact CE2-CE 4.33Å; Y106-M112 HydrophobicContact CG-CG 4.36Å; Y107-M112 WeakPolarHBondContact CA-O 3.48Å; Y107-M112 WeakPolarHBondContact CD1-O 3.37Å; M112-K123 CarbonylContact C-O 3.31Å; M112-K123 WeakPolarHBondContact CA-O 3.29Å; M112-K123 VanDerWaalsContact CB-O 3.24Å; M112-K123 WeakPolarHBondContact CB-O 3.3Å; M112-F124 HydrophobicContact CB-CD1 4.18Å; M112-F124 HydrophobicContact CE-CD1 3.98Å; M112-F124 HydrophobicContact CE-CE1 3.37Å; M112-F124 HydrophobicContact CE-CZ 3.85Å
113	T	97.7	Very high	96.8	Very high	58 Å²	58	71.5 Å²	71.5	36%	0.356	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.1	176.2	54.5	0	0	0	0	110.9	Y122 K123	T113-Y122 CarbonylContact O-C 3.58Å; T113-Y122 VanDerWaalsContact O-CA 3.29Å; T113-Y122 WeakPolarHBondContact O-CA 3.41Å; T113-K123 PolarHBondContact N-O 2.92Å; T113-K123 PolarHBondContact O-N 3.43Å
114	K	97.4	Very high	96.8	Very high	80 Å²	80	71.7 Å²	71.7	35%	0.348	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.8	172.1	-170.9	170.7	179	177.8	0	110.1	Y107 H116 Y122	Y107-K114 HydrophobicContact CE1-CB 4.33Å; Y107-K114 HydrophobicContact CE2-CB 4.37Å; K114-H116 PolarHBondContact O-CD2 3.04Å; K114-H116 PolarHBondContact O-N 3.27Å; K114-Y122 HydrophobicContact CG-CE1 4.46Å
115	V	97.6	Very high	96.7	Very high	24 Å²	24	68.1 Å²	68.1	15%	0.145	34%	0.336	C	S	.	.			trans	-82.6	111.7	167.2	-178.8	0	0	0	0	107.9	E72 K118 A121 K123	E72-V115 HydrophobicContact CG-CG2 4.34Å; V115-K118 HydrophobicContact CG1-CB 4.26Å; V115-K118 HydrophobicContact CG1-CD 4.09Å; V115-K118 HydrophobicContact CG1-CG 4.3Å; V115-A121 HydrophobicContact CB-CB 3.86Å; V115-A121 HydrophobicContact CG1-CB 4.44Å; V115-A121 HydrophobicContact CG2-CB 4.39Å; V115-A121 PolarHBondContact N-O 2.95Å; V115-K123 HydrophobicContact CG2-CB 4.12Å
116	H	96.4	Very high	96.4	Very high	162 Å²	162	67.2 Å²	67.2	75%	0.75	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	150.5	177.8	-67.4	-91	0	0	0	111	K114 K118	K114-H116 PolarHBondContact O-CD2 3.04Å; K114-H116 PolarHBondContact O-N 3.27Å; H116-K118 PolarHBondContact O-N 3.38Å
117	G	96.3	Very high	96.1	Very high	93 Å²	93	74.3 Å²	74.3	96%	0.959	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-10.2	-176.5	0	0	0	0	0	115.1
118	K	95.6	Very high	95.8	Very high	87 Å²	87	71.7 Å²	71.7	38%	0.378	36%	0.358	S	S	.	.	S	Bend	trans	-118.4	137	174.9	-67	-172.3	180	-171.8	0	111.3	E67 V115 H116 A121	E67-K118 IonicContact OE1-NZ 2.65Å; E67-K118 PolarHBondContact OE1-NZ 2.9Å; V115-K118 HydrophobicContact CG1-CB 4.26Å; V115-K118 HydrophobicContact CG1-CD 4.09Å; V115-K118 HydrophobicContact CG1-CG 4.3Å; H116-K118 PolarHBondContact O-N 3.38Å; K118-A121 HydrophobicContact CB-CB 3.54Å; K118-A121 HydrophobicContact CD-CB 4.29Å
119	R	97.3	Very high	95.7	Very high	194 Å²	194	65 Å²	65	73%	0.732	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	136.5	175.7	-68.2	-177	65.3	-170.2	-0.1	109.6	A121	R119-A121 PolarHBondContact O-N 3.17Å
120	Y	98.3	Very high	95.6	Very high	69 Å²	69	62.4 Å²	62.4	27%	0.271	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	23.7	174.2	-45.4	-64.1	0	0	0	115.3	K74 L75 P78 Y96 Y122	K74-Y120 WeakPolarHBondContact CA-O 3.42Å; L75-Y120 PolarHBondContact N-O 2.89Å; P78-Y120 HydrophobicContact CB-CD1 4.23Å; P78-Y120 HydrophobicContact CB-CE1 4.42Å; P78-Y120 HydrophobicContact CG-CD1 4.23Å; P78-Y120 HydrophobicContact CG-CD2 4.35Å; P78-Y120 HydrophobicContact CG-CE1 4.12Å; P78-Y120 HydrophobicContact CG-CE2 4.26Å; P78-Y120 HydrophobicContact CG-CG 4.35Å; Y96-Y120 HydrophobicContact CD1-CE1 4.2Å; Y96-Y120 AromaticContact CE1-CD1 3.9Å; Y96-Y120 HydrophobicContact CE1-CD1 3.9Å; Y96-Y120 AromaticContact CE1-CE1 3.57Å; Y96-Y120 HydrophobicContact CE1-CE1 3.57Å; Y96-Y120 AromaticContact CE2-CD1 4Å; Y96-Y120 HydrophobicContact CE2-CD1 4Å; Y96-Y120 HydrophobicContact CE2-CE1 4.4Å; Y96-Y120 AromaticContact CZ-CD1 3.48Å; Y96-Y120 VanDerWaalsContact CZ-CD1 3.48Å; Y96-Y120 AromaticContact CZ-CE1 3.69Å; Y96-Y120 WeakPolarHBondContact OH-CD1 3.45Å; Y120-Y122 WeakPolarHBondContact O-CD2 3.5Å
121	A	98	Very high	95.2	Very high	5 Å²	5	65.2 Å²	65.2	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.5	-178.2	0	0	0	0	0	111.3	F73 K74 V115 K118 R119	F73-A121 WeakPolarHBondContact O-CA 3.45Å; K74-A121 HydrophobicContact CB-CB 4.48Å; V115-A121 HydrophobicContact CB-CB 3.86Å; V115-A121 HydrophobicContact CG1-CB 4.44Å; V115-A121 HydrophobicContact CG2-CB 4.39Å; V115-A121 PolarHBondContact N-O 2.95Å; K118-A121 HydrophobicContact CB-CB 3.54Å; K118-A121 HydrophobicContact CD-CB 4.29Å; R119-A121 PolarHBondContact O-N 3.17Å
122	Y	98.3	Very high	94.7	Very high	4 Å²	4	67 Å²	67	2%	0.016	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.5	-174.3	-60.3	-89	0	0	0	109.8	E72 F73 L75 Y96 L103 T113 K114 Y120	E72-Y122 WeakPolarHBondContact CA-O 3.27Å; F73-Y122 WeakPolarHBondContact CD1-O 3.42Å; F73-Y122 HydrophobicContact CE2-CD2 4.2Å; F73-Y122 HydrophobicContact CE2-CG 4.5Å; F73-Y122 VanDerWaalsContact CZ-CB 3.5Å; F73-Y122 HydrophobicContact CZ-CD2 4.35Å; F73-Y122 HydrophobicContact CZ-CG 4.2Å; F73-Y122 PolarHBondContact N-O 3.04Å; F73-Y122 PolarHBondContact O-N 3.14Å; F73-Y122 VanDerWaalsContact O-O 3.08Å; L75-Y122 HydrophobicContact CD1-CE2 3.92Å; Y96-Y122 PolarHBondContact OH-OH 2.96Å; L103-Y122 HydrophobicContact CB-CE1 4.13Å; L103-Y122 HydrophobicContact CD1-CD1 4.38Å; L103-Y122 HydrophobicContact CD1-CD2 4.31Å; L103-Y122 HydrophobicContact CD1-CE1 3.84Å; L103-Y122 HydrophobicContact CD1-CE2 3.79Å; T113-Y122 CarbonylContact O-C 3.58Å; T113-Y122 VanDerWaalsContact O-CA 3.29Å; T113-Y122 WeakPolarHBondContact O-CA 3.41Å; K114-Y122 HydrophobicContact CG-CE1 4.46Å; Y120-Y122 WeakPolarHBondContact O-CD2 3.5Å
123	K	97.9	Very high	94.1	Very high	78 Å²	78	70.1 Å²	70.1	34%	0.339	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.1	177.9	-170.7	166.9	69.2	-173.2	0	110.6	G71 E72 M112 T113 V115	G71-K123 CarbonylContact O-C 3.5Å; G71-K123 WeakPolarHBondContact O-CA 3.42Å; E72-K123 HydrophobicContact CG-CB 3.84Å; E72-K123 HydrophobicContact CG-CD 3.39Å; E72-K123 HydrophobicContact CG-CG 3.58Å; M112-K123 CarbonylContact C-O 3.31Å; M112-K123 WeakPolarHBondContact CA-O 3.29Å; M112-K123 VanDerWaalsContact CB-O 3.24Å; M112-K123 WeakPolarHBondContact CB-O 3.3Å; T113-K123 PolarHBondContact N-O 2.92Å; T113-K123 PolarHBondContact O-N 3.43Å; V115-K123 HydrophobicContact CG2-CB 4.12Å
124	F	97.9	Very high	93	Very high	5 Å²	5	73.6 Å²	73.6	2%	0.022	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.3	170.1	-77.2	-73.4	0	0	0	111.1	W48 L51 L52 L55 W66 G71 F73 M112 L129	W48-F124 HydrophobicContact CB-CE1 4.18Å; L51-F124 HydrophobicContact CB-CZ 4.19Å; L52-F124 HydrophobicContact CD2-CD2 3.92Å; L52-F124 HydrophobicContact CD2-CE1 4.32Å; L52-F124 HydrophobicContact CD2-CE2 3.53Å; L52-F124 HydrophobicContact CD2-CG 4.47Å; L52-F124 HydrophobicContact CD2-CZ 3.75Å; L52-F124 HydrophobicContact CG-CE1 4.17Å; L52-F124 HydrophobicContact CG-CE2 4.05Å; L52-F124 HydrophobicContact CG-CZ 3.72Å; L55-F124 HydrophobicContact CD1-CE2 3.96Å; W66-F124 AromaticContact CH2-CD2 3.83Å; W66-F124 HydrophobicContact CH2-CD2 3.83Å; W66-F124 HydrophobicContact CH2-CE2 4.03Å; W66-F124 AromaticContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CE2 4.35Å; G71-F124 PolarHBondContact O-N 3.26Å; F73-F124 AromaticContact CD1-CD2 3.66Å; F73-F124 HydrophobicContact CD1-CD2 3.66Å; F73-F124 AromaticContact CD1-CE2 3.62Å; F73-F124 HydrophobicContact CD1-CE2 3.62Å; F73-F124 AromaticContact CE1-CD2 3.49Å; F73-F124 HydrophobicContact CE1-CD2 3.49Å; F73-F124 VanDerWaalsContact CE1-CD2 3.49Å; F73-F124 AromaticContact CE1-CE2 3.28Å; F73-F124 HydrophobicContact CE1-CE2 3.28Å; F73-F124 HydrophobicContact CE1-CG 4.27Å; F73-F124 AromaticContact CE1-CZ 3.92Å; F73-F124 HydrophobicContact CE1-CZ 3.92Å; F73-F124 AromaticContact CZ-CE2 3.97Å; F73-F124 HydrophobicContact CZ-CE2 3.97Å; F73-F124 HydrophobicContact CZ-CZ 4.26Å; M112-F124 HydrophobicContact CB-CD1 4.18Å; M112-F124 HydrophobicContact CE-CD1 3.98Å; M112-F124 HydrophobicContact CE-CE1 3.37Å; M112-F124 HydrophobicContact CE-CZ 3.85Å; F124-L129 HydrophobicContact CB-CD1 3.91Å; F124-L129 HydrophobicContact CD1-CD1 3.68Å; F124-L129 HydrophobicContact CD1-CD2 4.33Å; F124-L129 HydrophobicContact CD1-CG 4.31Å; F124-L129 HydrophobicContact CE1-CD1 4.47Å; F124-L129 HydrophobicContact CG-CD1 4.03Å
125	D	95.8	Very high	91.2	Very high	45 Å²	45	74.1 Å²	74.1	24%	0.241	39%	0.387	C	S	.	.			trans	-103.5	105.1	169.7	-179.2	-6.4	0	0	0	108.6	N110 I111 H127 G128 L129	N110-D125 WeakPolarHBondContact O-CB 3.33Å; I111-D125 PolarHBondContact O-N 3.22Å; D125-H127 PolarHBondContact O-N 3.09Å; D125-H127 WeakPolarHBondContact OD1-CB 3.42Å; D125-H127 IonicContact OD1-CG 2.76Å; D125-H127 PolarHBondContact OD1-N 3.01Å; D125-H127 IonicContact OD1-ND1 2.8Å; D125-H127 PolarHBondContact OD1-ND1 2.72Å; D125-G128 PolarHBondContact O-N 2.76Å; D125-L129 WeakPolarHBondContact O-CB 3.38Å; D125-L129 WeakPolarHBondContact O-CG 3.49Å; D125-L129 PolarHBondContact O-N 3.19Å
126	F	91.9	Very high	88.9	Confident	94 Å²	94	77.6 Å²	77.6	41%	0.412	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-25.9	-176.6	-65.7	-69.1	0	0	0	113	N70 L129 A130	N70-F126 WeakPolarHBondContact ND2-CE2 3.37Å; F126-L129 HydrophobicContact CD1-CD1 4.26Å; F126-A130 VanDerWaalsContact O-CB 3.32Å; F126-A130 WeakPolarHBondContact O-CB 3.49Å; F126-A130 PolarHBondContact O-N 3.24Å
127	H	91.3	Very high	86.5	Confident	154 Å²	154	74 Å²	74	71%	0.713	40%	0.402	S	S	*	.	H	α-helix	trans	-69.5	-46.9	178.5	-60.4	91.1	0	0	0	110.9	D125 A130 Q131	D125-H127 PolarHBondContact O-N 3.09Å; D125-H127 WeakPolarHBondContact OD1-CB 3.42Å; D125-H127 IonicContact OD1-CG 2.76Å; D125-H127 PolarHBondContact OD1-N 3.01Å; D125-H127 IonicContact OD1-ND1 2.8Å; D125-H127 PolarHBondContact OD1-ND1 2.72Å; H127-A130 PolarHBondContact O-N 3.37Å; H127-Q131 PolarHBondContact O-N 2.76Å
128	G	90.6	Very high	84.3	Confident	3 Å²	3	74.6 Å²	74.6	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-76.1	-31.2	176.8	0	0	0	0	0	112.9	N110 D125 A130 Q131 V132	N110-G128 WeakPolarHBondContact O-CA 3.27Å; D125-G128 PolarHBondContact O-N 2.76Å; G128-A130 VanDerWaalsContact C-N 3.32Å; G128-A130 PolarHBondContact O-N 3.03Å; G128-Q131 WeakPolarHBondContact O-CB 3.48Å; G128-Q131 PolarHBondContact O-N 3.29Å; G128-V132 WeakPolarHBondContact O-CG2 3.35Å; G128-V132 PolarHBondContact O-N 2.91Å
129	L	90.8	Very high	82	Confident	12 Å²	12	77 Å²	77	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-58.9	-43	168.7	-80	179.5	0	0	0	112.1	W48 L52 I111 F124 D125 F126 Q131 V132 C133	W48-L129 HydrophobicContact CD2-CD2 3.98Å; W48-L129 HydrophobicContact CE3-CD2 3.48Å; W48-L129 VanDerWaalsContact CE3-CD2 3.48Å; W48-L129 HydrophobicContact CZ3-CD2 3.82Å; L52-L129 HydrophobicContact CD1-CD1 4.48Å; I111-L129 HydrophobicContact CG2-CD2 3.91Å; F124-L129 HydrophobicContact CB-CD1 3.91Å; F124-L129 HydrophobicContact CD1-CD1 3.68Å; F124-L129 HydrophobicContact CD1-CD2 4.33Å; F124-L129 HydrophobicContact CD1-CG 4.31Å; F124-L129 HydrophobicContact CE1-CD1 4.47Å; F124-L129 HydrophobicContact CG-CD1 4.03Å; D125-L129 WeakPolarHBondContact O-CB 3.38Å; D125-L129 WeakPolarHBondContact O-CG 3.49Å; D125-L129 PolarHBondContact O-N 3.19Å; F126-L129 HydrophobicContact CD1-CD1 4.26Å; L129-Q131 VanDerWaalsContact C-N 3.25Å; L129-Q131 PolarHBondContact O-N 3.04Å; L129-V132 PolarHBondContact O-N 2.94Å; L129-V132 VanDerWaalsContact O-N 3.14Å; L129-C133 WeakPolarHBondContact O-CB 3.47Å; L129-C133 PolarHBondContact O-N 2.95Å; L129-C133 PolarHBondContact O-SG 3.39Å; L129-C133 VanDerWaalsContact O-SG 3.42Å
130	A	89.3	Confident	79.6	Confident	56 Å²	56	72.7 Å²	72.7	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-59.3	-38.6	176.8	0	0	0	0	0	111.7	F126 H127 G128 C133 Q134	F126-A130 VanDerWaalsContact O-CB 3.32Å; F126-A130 WeakPolarHBondContact O-CB 3.49Å; F126-A130 PolarHBondContact O-N 3.24Å; H127-A130 PolarHBondContact O-N 3.37Å; G128-A130 VanDerWaalsContact C-N 3.32Å; G128-A130 PolarHBondContact O-N 3.03Å; A130-C133 PolarHBondContact O-N 3.02Å; A130-Q134 WeakPolarHBondContact O-CG 3.42Å; A130-Q134 PolarHBondContact O-N 2.83Å
131	Q	88.4	Confident	77.4	Confident	147 Å²	147	72.7 Å²	72.7	69%	0.687	40%	0.402	S	S	*	.	H	α-helix	trans	-66.8	-38.7	175	-67.4	177.9	2.9	0	0	112.7	H127 G128 L129 Q134	H127-Q131 PolarHBondContact O-N 2.76Å; G128-Q131 WeakPolarHBondContact O-CB 3.48Å; G128-Q131 PolarHBondContact O-N 3.29Å; L129-Q131 VanDerWaalsContact C-N 3.25Å; L129-Q131 PolarHBondContact O-N 3.04Å; Q131-Q134 PolarHBondContact O-N 2.8Å
132	V	85.1	Confident	75.1	Confident	37 Å²	37	78.3 Å²	78.3	22%	0.224	43%	0.431	C	S	.	.	H	α-helix	trans	-72.9	-29.4	178.9	175.6	0	0	0	0	112.3	W48 I111 G128 L129 Q134	W48-V132 HydrophobicContact CZ2-CG1 3.65Å; I111-V132 HydrophobicContact CD1-CG2 3.94Å; I111-V132 HydrophobicContact CG1-CG2 3.86Å; G128-V132 WeakPolarHBondContact O-CG2 3.35Å; G128-V132 PolarHBondContact O-N 2.91Å; L129-V132 PolarHBondContact O-N 2.94Å; L129-V132 VanDerWaalsContact O-N 3.14Å; V132-Q134 VanDerWaalsContact C-N 3.33Å
133	C	83.4	Confident	73	Confident	66 Å²	66	83.5 Å²	83.5	45%	0.446	45%	0.451	S	S	.	.	H	α-helix	trans	-76.9	-16.9	176.1	-75.4	0	0	0	0	113.6	L129 A130	L129-C133 WeakPolarHBondContact O-CB 3.47Å; L129-C133 PolarHBondContact O-N 2.95Å; L129-C133 PolarHBondContact O-SG 3.39Å; L129-C133 VanDerWaalsContact O-SG 3.42Å; A130-C133 PolarHBondContact O-N 3.02Å
134	Q	75.8	Confident	70.5	Confident	131 Å²	131	87.3 Å²	87.3	61%	0.612	47%	0.468	S	S	*	.	S	Bend	trans	-65.8	134.9	174.1	-69	-64.1	-9.9	0	0	109.5	A130 Q131 V132 S136	A130-Q134 WeakPolarHBondContact O-CG 3.42Å; A130-Q134 PolarHBondContact O-N 2.83Å; Q131-Q134 PolarHBondContact O-N 2.8Å; V132-Q134 VanDerWaalsContact C-N 3.33Å; Q134-S136 PolarHBondContact O-N 2.9Å
135	P	58.8	Low	68	Low	91 Å²	91	95.1 Å²	95.1	59%	0.591	50%	0.502	S	S	*	.			trans	-60.5	115.1	165	26.8	-30.6	0	0	0	106.2	T137	P135-T137 PolarHBondContact O-N 3.26Å
136	S	50	Low	65.4	Low	97 Å²	97	100.7 Å²	100.7	68%	0.678	53%	0.527	S	S	*	.			trans	-53.2	108.1	168.1	50	0	0	0	0	106.5	Q134 T138	Q134-S136 PolarHBondContact O-N 2.9Å; S136-T138 PolarHBondContact O-N 2.91Å
137	T	45.7	Very low	63.1	Low	85 Å²	85	100.9 Å²	100.9	52%	0.521	54%	0.539	S	S	.	.			trans	-66.8	90.2	176.5	22.1	0	0	0	0	106.6	P135 E139 Q140	P135-T137 PolarHBondContact O-N 3.26Å; T137-E139 PolarHBondContact O-N 2.93Å; T137-Q140 WeakPolarHBondContact O-CB 3.38Å; T137-Q140 PolarHBondContact O-N 3.11Å; T137-Q140 VanDerWaalsContact OG1-CG 3.31Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.31Å
138	T	50.3	Low	60.9	Low	106 Å²	106	100.4 Å²	100.4	65%	0.65	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-19	169.6	-59.8	0	0	0	0	111.3	S136	S136-T138 PolarHBondContact O-N 2.91Å
139	E	46.4	Very low	58.8	Low	137 Å²	137	108.6 Å²	108.6	64%	0.64	58%	0.577	S	S	*	*	H	α-helix	trans	-68.8	-29.9	173.8	-54.9	-137.4	139	0	0	113.4	T137 A141 L142 Y143	T137-E139 PolarHBondContact O-N 2.93Å; E139-A141 PolarHBondContact O-N 3.24Å; E139-A141 VanDerWaalsContact O-N 3.11Å; E139-L142 PolarHBondContact O-N 3.25Å; E139-Y143 VanDerWaalsContact C-CD1 3.47Å; E139-Y143 HydrophobicContact CB-CD1 4.16Å; E139-Y143 HydrophobicContact CB-CE1 3.67Å; E139-Y143 WeakPolarHBondContact O-CD1 2.96Å; E139-Y143 WeakPolarHBondContact O-CE1 3.49Å; E139-Y143 PolarHBondContact O-N 2.96Å
140	Q	46.9	Very low	56.7	Low	105 Å²	105	111.9 Å²	111.9	49%	0.491	61%	0.606	S	S	.	*	H	α-helix	trans	-56.4	-31	179.9	-68.6	-97	-19.5	0	0	114.6	T137 Y143	T137-Q140 WeakPolarHBondContact O-CB 3.38Å; T137-Q140 PolarHBondContact O-N 3.11Å; T137-Q140 VanDerWaalsContact OG1-CG 3.31Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.31Å; Q140-Y143 VanDerWaalsContact CA-CE2 3.46Å; Q140-Y143 WeakPolarHBondContact CA-OH 2.98Å; Q140-Y143 HydrophobicContact CB-CE2 4.16Å; Q140-Y143 HydrophobicContact CG-CE2 4.26Å; Q140-Y143 WeakPolarHBondContact CG-OH 2.83Å; Q140-Y143 PolarHBondContact NE2-OH 3.49Å
141	A	53.1	Low	54.4	Low	68 Å²	68	115.3 Å²	115.3	56%	0.562	62%	0.623	S	S	*	*	H	α-helix	trans	-81.3	-29	177.6	0	0	0	0	0	112.7	E139	E139-A141 PolarHBondContact O-N 3.24Å; E139-A141 VanDerWaalsContact O-N 3.11Å
142	L	49.5	Very low	52.6	Low	123 Å²	123	115 Å²	115	64%	0.644	63%	0.625	S	S	*	*	H	α-helix	trans	-77.9	-41.1	-176	-93.5	149.4	0	0	0	112.3	E139 F145	E139-L142 PolarHBondContact O-N 3.25Å; L142-F145 PolarHBondContact O-N 3.48Å
143	Y	54.4	Low	50.8	Low	114 Å²	114	118.8 Å²	118.8	45%	0.447	65%	0.65	S	S	.	*	H	α-helix	trans	-77	-22	178.2	41.6	-104.2	0	0	0	114.4	E139 Q140 F145	E139-Y143 VanDerWaalsContact C-CD1 3.47Å; E139-Y143 HydrophobicContact CB-CD1 4.16Å; E139-Y143 HydrophobicContact CB-CE1 3.67Å; E139-Y143 WeakPolarHBondContact O-CD1 2.96Å; E139-Y143 WeakPolarHBondContact O-CE1 3.49Å; E139-Y143 PolarHBondContact O-N 2.96Å; Q140-Y143 VanDerWaalsContact CA-CE2 3.46Å; Q140-Y143 WeakPolarHBondContact CA-OH 2.98Å; Q140-Y143 HydrophobicContact CB-CE2 4.16Å; Q140-Y143 HydrophobicContact CG-CE2 4.26Å; Q140-Y143 WeakPolarHBondContact CG-OH 2.83Å; Q140-Y143 PolarHBondContact NE2-OH 3.49Å; Y143-F145 VanDerWaalsContact C-N 3.32Å
144	K	44.8	Very low	48.9	Very low	158 Å²	158	124.5 Å²	124.5	69%	0.687	67%	0.668	S	S	*	*	H	α-helix	trans	-81.9	-12.1	177	-141.1	145.9	173.2	171.7	0	113.2
145	F	45.6	Very low	47.2	Very low	168 Å²	168	123.5 Å²	123.5	74%	0.737	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-16.2	171.9	-108.4	-85.1	0	0	0	113.9	L142 Y143	L142-F145 PolarHBondContact O-N 3.48Å; Y143-F145 VanDerWaalsContact C-N 3.32Å
146	Q	42.4	Very low	46.4	Very low	163 Å²	163	122.4 Å²	122.4	76%	0.762	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-16.1	-179.2	-159.4	166.2	21	0	0	113.8	N148	Q146-N148 PolarHBondContact O-N 3.17Å
147	S	42.7	Very low	46.4	Very low	97 Å²	97	126 Å²	126	68%	0.678	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-3.5	-175.8	-171.6	0	0	0	0	115.3
148	N	45.3	Very low	46.2	Very low	145 Å²	145	127.6 Å²	127.6	78%	0.775	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	7.5	-175.9	-96.4	40.7	0	0	0	115.3	Q146	Q146-N148 PolarHBondContact O-N 3.17Å
149	F	45.3	Very low	46.1	Very low	175 Å²	175	132.1 Å²	132.1	77%	0.768	72%	0.716	S	S	*	*			trans	-97.4	95.1	167.8	-69	-75.7	0	0	0	109.5
150	A	47.1	Very low	45.9	Very low	80 Å²	80	133.5 Å²	133.5	66%	0.661	73%	0.727	S	S	*	*			trans	-56.1	133.2	158.5	0	0	0	0	0	108.6	I152	A150-I152 PolarHBondContact O-N 3.43Å; A150-I152 VanDerWaalsContact O-N 3.12Å
151	P	41.3	Very low	46	Very low	128 Å²	128	134.2 Å²	134.2	83%	0.831	74%	0.743	S	S	*	*			trans	-70.4	108.7	171.9	-4.2	19.4	0	0	0	108.1
152	I	51.6	Low	45.6	Very low	140 Å²	140	138.2 Å²	138.2	72%	0.718	76%	0.755	S	S	*	*			trans	-82.6	126.9	165	48.3	173.7	0	0	0	108.8	A150 F154	A150-I152 PolarHBondContact O-N 3.43Å; A150-I152 VanDerWaalsContact O-N 3.12Å; I152-F154 PolarHBondContact O-N 3.12Å
153	P	47.3	Very low	45.3	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	76%	0.761	S	S	*	*			trans	-82.2	109.1	173.7	31.6	-29.1	0	0	0	108.4
154	F	41.9	Very low	45.1	Very low	187 Å²	187	136.3 Å²	136.3	82%	0.82	77%	0.772	S	S	*	*			trans	-106.5	96.3	164.7	-114.7	-85.3	0	0	0	109.9	I152	I152-F154 PolarHBondContact O-N 3.12Å
155	S	41	Very low	45.1	Very low	110 Å²	110	135 Å²	135	77%	0.769	78%	0.78	S	S	*	*			trans	-73.8	125.3	162.9	-45.3	0	0	0	0	108.9
156	G	41.9	Very low	45	Very low	68 Å²	68	130 Å²	130	70%	0.701	78%	0.776	S	S	*	*			trans	77.3	99.7	148.1	0	0	0	0	0	117.6
157	I	49.4	Very low	44.9	Very low	173 Å²	173	129.4 Å²	129.4	89%	0.887	78%	0.783	S	S	*	*				-150.8	138.2	124.6	22.1	172.9	0	0	0	109.5
158	S	42.2	Very low	45.1	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	79%	0.785	S	S	*	*			trans	-77.6	148.8	-160.2	-54.9	0	0	0	0	114.4
159	K	47.2	Very low	45.2	Very low	201 Å²	201	126.8 Å²	126.8	87%	0.874	79%	0.785	S	S	*	*			trans	23.7	116.4	144.9	-87.1	178.9	168.6	174.9	0	118.2
160	L	43.6	Very low	45.2	Very low	167 Å²	167	123.6 Å²	123.6	87%	0.874	78%	0.784	S	S	*	*			trans	-151	106.2	130.1	-150.7	73.6	0	0	0	109.9
161	S	48.8	Very low	45.2	Very low	119 Å²	119	123 Å²	123	83%	0.832	79%	0.786	S	S	*	*			trans	-92.1	119.5	164	-56.4	0	0	0	0	107.4
162	L	45.1	Very low	45.4	Very low	153 Å²	153	125.5 Å²	125.5	80%	0.801	78%	0.784	S	S	*	*			trans	-151	111.9	161.7	-156.5	70.3	0	0	0	110.7
163	V	42.5	Very low	45.4	Very low	130 Å²	130	124.4 Å²	124.4	79%	0.788	79%	0.789	S	S	*	*			trans	48.3	120.2	150.5	82.6	0	0	0	0	119.5
164	G	51.3	Low	45.6	Very low	66 Å²	66	127.9 Å²	127.9	68%	0.68	79%	0.788	S	S	*	*			trans	-72.2	169.5	167.3	0	0	0	0	0	112.7
165	P	43.3	Very low	45.9	Very low	130 Å²	130	131 Å²	131	84%	0.844	79%	0.794	S	S	*	*			trans	-130.7	145.5	147.4	29.2	-13	0	0	0	111.9
166	G	43.7	Very low	46.1	Very low	63 Å²	63	131.9 Å²	131.9	65%	0.649	80%	0.798	S	S	*	*			trans	-73.5	-176.6	161	0	0	0	0	0	112.2
167	V	41.4	Very low	46	Very low	151 Å²	151	132 Å²	132	92%	0.915	80%	0.799	S	S	*	*			trans	77.2	122.4	170.5	-46.4	0	0	0	0	117.1
168	G	45.3	Very low	45.8	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	80%	0.796	S	S	*	*			trans	-71.2	-160.2	169.3	0	0	0	0	0	112.4
169	P	48.1	Very low	46.3	Very low	118 Å²	118	129.8 Å²	129.8	77%	0.766	80%	0.796	S	S	*	*			cis	-137.6	-178.1	23.5	35.7	-13.4	0	0	0	115.5
170	S	46.6	Very low	46.8	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	79%	0.791	S	S	*	*			trans	45.2	119.2	144.6	60.2	0	0	0	0	120.7
171	G	46.5	Very low	47.1	Very low	68 Å²	68	124.9 Å²	124.9	70%	0.701	79%	0.792	S	S	*	*			trans	74.1	124.5	134.7	0	0	0	0	0	116
172	F	45.1	Very low	46.6	Very low	180 Å²	180	126.2 Å²	126.2	79%	0.789	79%	0.789	S	S	*	*			trans	156.7	117.5	130.2	-92.6	-80.8	0	0	0	108.5	Y174	F172-Y174 HydrophobicContact CB-CD1 3.9Å; F172-Y174 HydrophobicContact CB-CE1 3.4Å; F172-Y174 HydrophobicContact CD1-CD1 4.48Å; F172-Y174 HydrophobicContact CD1-CE1 4.45Å; F172-Y174 HydrophobicContact CG-CE1 4.14Å
173	S	52.3	Low	46.3	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	79%	0.787	S	S	*	*			trans	-81.1	131.1	161.8	-50.5	0	0	0	0	108.1
174	Y	49.8	Very low	46.1	Very low	190 Å²	190	129.9 Å²	129.9	75%	0.745	79%	0.786	S	S	*	*			trans	-147.2	113.4	157.2	22.3	-101.8	0	0	0	109.4	F172	F172-Y174 HydrophobicContact CB-CD1 3.9Å; F172-Y174 HydrophobicContact CB-CE1 3.4Å; F172-Y174 HydrophobicContact CD1-CD1 4.48Å; F172-Y174 HydrophobicContact CD1-CE1 4.45Å; F172-Y174 HydrophobicContact CG-CE1 4.14Å
175	W	48.6	Very low	45.5	Very low	251 Å²	251	131.3 Å²	131.3	95%	0.951	79%	0.786	S	S	*	*			trans	-71.6	128.3	156.9	-76.1	78.1	0	0	0	108
176	P	45.6	Very low	45.4	Very low	129 Å²	129	133.3 Å²	133.3	84%	0.838	78%	0.783	S	S	*	*			trans	-87	129	173.2	31.3	-29.6	0	0	0	110.4
177	G	39.2	Very low	45.1	Very low	70 Å²	70	137.1 Å²	137.1	72%	0.722	79%	0.789	S	S	*	*			trans	157.3	84.1	162.5	0	0	0	0	0	115.6
178	S	45.8	Very low	45.1	Very low	119 Å²	119	136.3 Å²	136.3	83%	0.832	78%	0.779	S	S	*	*				173.1	136.6	123.5	-73.3	0	0	0	0	111.7
179	P	52.4	Low	45.1	Very low	125 Å²	125	141.2 Å²	141.2	81%	0.812	78%	0.783	S	S	*	*			trans	-88.6	173.2	177.6	36.6	-33.3	0	0	0	113.5
180	P	57.9	Low	45.4	Very low	118 Å²	118	140.7 Å²	140.7	77%	0.766	78%	0.78	S	S	*	*			trans	-102	162.1	-154.5	38.8	-31.9	0	0	0	114
181	T	50.4	Low	46.3	Very low	147 Å²	147	141.8 Å²	141.8	90%	0.902	78%	0.784	S	S	*	*			trans	-133.6	140.3	152.6	51.2	0	0	0	0	112.2
182	L	38.9	Very low	46.3	Very low	148 Å²	148	141.9 Å²	141.9	78%	0.775	79%	0.785	S	S	*	*			trans	-70.6	145.6	-168.5	-89.5	104.5	0	0	0	115
183	Y	38.5	Very low	46.8	Very low	193 Å²	193	139.4 Å²	139.4	76%	0.757	79%	0.787	S	S	*	*			trans	47.1	135.7	137.8	-79.7	-106.1	0	0	0	120.8
184	H	36.6	Very low	46.7	Very low	166 Å²	166	144.1 Å²	144.1	77%	0.769	79%	0.793	S	S	*	*				-175.8	130.9	86.3	-85.3	87.2	0	0	0	110.8
185	S	39.1	Very low	46.3	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	80%	0.796	S	S	*	*			trans	-70.3	160.9	170.1	-174.8	0	0	0	0	110.9
186	H	41.2	Very low	46.3	Very low	172 Å²	172	131.6 Å²	131.6	80%	0.796	79%	0.79	S	S	*	*			trans	165.5	113.4	134.3	-66.7	-46.3	0	0	0	112.2
187	N	37.3	Very low	46.5	Very low	143 Å²	143	132.7 Å²	132.7	77%	0.765	79%	0.794	S	S	*	*			trans	62.1	122.8	137.5	-103	-1.1	0	0	0	126.2
188	L	41.1	Very low	46.7	Very low	134 Å²	134	135.3 Å²	135.3	70%	0.702	80%	0.802	S	S	*	*				69.6	120	128.9	-68.9	165.2	0	0	0	124.5
189	Q	46.8	Very low	46.4	Very low	174 Å²	174	133.9 Å²	133.9	81%	0.813	80%	0.797	S	S	*	*			trans	87.1	156.9	136.3	-99.9	-179.2	-112.3	0	0	122.4
190	P	53.5	Low	45.9	Very low	107 Å²	107	133.3 Å²	133.3	70%	0.695	80%	0.796	S	S	*	*				-127	-146.5	-121.6	36.4	-10.6	0	0	0	113.6
191	P	66.1	Low	45.3	Very low	129 Å²	129	135.6 Å²	135.6	84%	0.838	80%	0.796	S	S	*	*				-100.4	167.6	-108.4	36.3	-18.2	0	0	0	115.2
192	G	45.9	Very low	45	Very low	70 Å²	70	136.3 Å²	136.3	72%	0.722	79%	0.792	S	S	*	*			trans	-154.1	161.6	174.5	0	0	0	0	0	112.9
193	P	55.2	Low	45.1	Very low	128 Å²	128	136.1 Å²	136.1	83%	0.831	79%	0.792	S	S	*	*				-104.6	164	-114.9	35.8	-35.1	0	0	0	116.3	G195	P193-G195 PolarHBondContact O-N 3.38Å
194	F	50.5	Low	45.2	Very low	217 Å²	217	131.7 Å²	131.7	95%	0.952	79%	0.789	S	S	*	*			trans	-49.7	123.7	169.6	-65.4	-90.3	0	0	0	112.8
195	G	41	Very low	45.3	Very low	79 Å²	79	129.7 Å²	129.7	81%	0.814	79%	0.788	S	S	*	*			trans	-103.2	105.7	162.5	0	0	0	0	0	109.8	P193	P193-G195 PolarHBondContact O-N 3.38Å
196	A	49.2	Very low	45.3	Very low	100 Å²	100	132.7 Å²	132.7	83%	0.826	80%	0.796	S	S	*	*			trans	-74.3	132	162.8	0	0	0	0	0	109.1
197	V	49.9	Very low	45.1	Very low	151 Å²	151	131.3 Å²	131.3	92%	0.915	80%	0.795	S	S	*	*			trans	-134.4	136.7	155.1	-72.2	0	0	0	0	110
198	S	42.4	Very low	45.4	Very low	126 Å²	126	132.6 Å²	132.6	88%	0.881	80%	0.8	S	S	*	*			trans	-84.3	168.1	-161.6	-162	0	0	0	0	113.6
199	A	41.1	Very low	45.4	Very low	88 Å²	88	133.4 Å²	133.4	73%	0.727	81%	0.805	S	S	*	*			trans	-77.2	142	179.3	0	0	0	0	0	113.7
200	S	40.5	Very low	44.8	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	80%	0.8	S	S	*	*			trans	165.8	133.6	144.1	36.4	0	0	0	0	106.7
201	H	45.2	Very low	44.5	Very low	166 Å²	166	134.1 Å²	134.1	77%	0.769	81%	0.808	S	S	*	*				-166.7	121.2	53.6	-155.5	-116.8	0	0	0	108.4
202	I	44.6	Very low	43.5	Very low	161 Å²	161	133.8 Å²	133.8	83%	0.826	80%	0.799	S	S	*	*			trans	-83.7	124.8	165.2	-67.9	177.5	0	0	0	106.4
203	N	42	Very low	43.1	Very low	145 Å²	145	137.4 Å²	137.4	78%	0.775	80%	0.801	S	S	*	*			trans	-132.3	96.8	167.4	-164.5	33.4	0	0	0	109.6
204	C	39.1	Very low	42.9	Very low	100 Å²	100	138 Å²	138	68%	0.676	80%	0.796	S	S	*	*			trans	-153.6	113.3	157.7	42.9	0	0	0	0	111.7
205	V	40.2	Very low	42.7	Very low	124 Å²	124	134.9 Å²	134.9	75%	0.752	79%	0.789	S	S	*	*			trans	70.7	107.2	139.8	-170.5	0	0	0	0	117.6
206	N	39	Very low	42.8	Very low	159 Å²	159	139.1 Å²	139.1	85%	0.85	79%	0.794	S	S	*	*				-178.3	101.8	129.4	-94.6	-12	0	0	0	110.7
207	N	37	Very low	42.7	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	79%	0.793	S	S	*	*			trans	-168.7	95.7	146.9	-164.3	20	0	0	0	112.1
208	I	43.1	Very low	42.3	Very low	169 Å²	169	146.6 Å²	146.6	87%	0.867	79%	0.793	S	S	*	*			trans	-140.8	90.3	145.4	-54.9	178.8	0	0	0	106.7
209	N	41.2	Very low	42.2	Very low	151 Å²	151	152 Å²	152	81%	0.807	81%	0.811	S	S	*	*			trans	-113.4	133.9	151.3	-85.3	-28.4	0	0	0	107.3
210	N	33.7	Very low	42.3	Very low	132 Å²	132	155.2 Å²	155.2	71%	0.706	82%	0.816	S	S	*	*			trans	107.2	90.3	155.8	-145.2	22.9	0	0	0	118
211	L	48.2	Very low	42.4	Very low	165 Å²	165	157.3 Å²	157.3	86%	0.864	82%	0.817	S	S	*	*			trans	-147.8	101.7	135.6	-111.4	120.9	0	0	0	109.4
212	N	43.7	Very low	42.2	Very low	122 Å²	122	156.8 Å²	156.8	65%	0.652	82%	0.819	S	S	*	*			trans	30.5	112.3	130.9	-55.9	-32.6	0	0	0	117
213	N	38.8	Very low	42.1	Very low	145 Å²	145	156.6 Å²	156.6	78%	0.775	82%	0.819	S	S	*	*				59.3	108.5	89	-164.4	-0.9	0	0	0	113.4
214	I	49.6	Very low	42.1	Very low	141 Å²	141	157.3 Å²	157.3	72%	0.723	82%	0.822	S	S	*	*			trans	153.1	105	136.8	-72.7	151.2	0	0	0	106.8
215	N	46.5	Very low	42.3	Very low	151 Å²	151	161.1 Å²	161.1	81%	0.807	83%	0.831	S	S	*	*			trans	176.1	88.3	143.9	-90	-27.3	0	0	0	109.7
216	N	44	Very low	42.4	Very low	169 Å²	169	163.8 Å²	163.8	90%	0.904	84%	0.837	S	S	*	*			trans	-154.1	96.1	156.7	-88.6	-44.9	0	0	0	108.2
217	H	47.7	Very low	42.7	Very low	174 Å²	174	164.2 Å²	164.2	81%	0.806	84%	0.836	S	S	*	*			trans	-153.1	88.5	158.5	-147.2	93.3	0	0	0	108.7
218	Y	41.5	Very low	43.2	Very low	234 Å²	234	165.9 Å²	165.9	92%	0.918	84%	0.842	S	S	*	*			trans	-152.3	126.6	148.9	-93.4	-74.6	0	0	0	107.4
219	N	40.1	Very low	43.2	Very low	238 Å²	238	165.6 Å²	165.6	100%	1.273	84%	0.84	S	S	*	*			trans	78.3	0	-173.2	-90.2	-12.5	0	0	0	117.7

Retrieved 219 of 219 residues in 347.1 ms (Link to these results)

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