A0A096MZG7_PAPAN Loading...

E3 ubiquitin-protein ligase PHF7

E3 ubiquitin-protein ligase which ubiquitinates histone H3 at 'Lys-14'. Required for male fertility, via inhibition of SPOP-mediated BRDT degradation when in the presence of acetylated histone H4 in early condensing spermatids. Stabilization of BRDT allows it to facilitate histone removal in early condensing spermatids and promote the progression of histone-to-protamine exchange. Promotes the expression of steroidogenesis proteins in the testes, and as a result plays a role in maintaining testosterone levels and repressing osteoclastogenesis. Promotes transcription of cardiac enhancer genes by facilitating binding of cardiac transcription factors such as MEF2C and GATA4 to target gene promoters. Ubiquitinates histone H4. Ubiquitinates histone H2A and H3 as part of the nucleosome core particle.

AlphaFold DB , UniProt , Accession A0A096MZG7, Species PAPAN (Papio anubis, Olive baboon), Gene PHF7, Length 381 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	34.3	Very low	31.6	Very low	249 Å²	249	184.4 Å²	184.4	100%	1.227	89%	0.893	S	S	*	*				0	138.1	0	-80.4	174	165.3	0	0	108.6
2	K	29.9	Very low	31.6	Very low	194 Å²	194	189.3 Å²	189.3	84%	0.843	90%	0.895	S	S	*	*			trans	-13.3	138.1	-175.3	-64.1	172.9	178.5	175.4	0	119.4
3	T	30.1	Very low	31.7	Very low	132 Å²	132	186.6 Å²	186.6	81%	0.81	89%	0.888	S	S	*	*				-174	98.1	121.7	25	0	0	0	0	108.2
4	L	32.2	Very low	31.7	Very low	160 Å²	160	191.1 Å²	191.1	84%	0.838	89%	0.892	S	S	*	*				62.2	93.7	99	-69.3	170.4	0	0	0	113.6
5	K	34.7	Very low	31.7	Very low	218 Å²	218	191.8 Å²	191.8	95%	0.948	89%	0.891	S	S	*	*	P	Polyproline II helix	trans	-99.1	130	159.5	-99.1	-177.6	177	178.3	0	109.4
6	E	33.2	Very low	31.8	Very low	192 Å²	192	187.3 Å²	187.3	90%	0.897	89%	0.888	S	S	*	*	P	Polyproline II helix	trans	-72	146.1	-167.6	-65.3	168.5	135.5	0	0	113.8
7	K	31.9	Very low	31.8	Very low	207 Å²	207	181.8 Å²	181.8	90%	0.9	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-69.5	132.5	161.6	-74.3	174.8	172.8	177.6	0	109.2
8	K	32	Very low	31.9	Very low	213 Å²	213	183 Å²	183	93%	0.926	88%	0.881	S	S	*	*			trans	-124.3	111.7	151	-102.8	-179.5	179.2	174.6	0	109.7
9	E	28.1	Very low	32	Very low	175 Å²	175	180.3 Å²	180.3	82%	0.818	88%	0.877	S	S	*	*			trans	-70.8	126.3	177.7	-176.8	173.3	169.3	0	0	110
10	C	29	Very low	32.1	Very low	129 Å²	129	183.2 Å²	183.2	87%	0.872	88%	0.878	S	S	*	*			trans	-102.4	108.6	171.4	-159.7	0	0	0	0	108.4
11	Q	31.8	Very low	32.2	Very low	159 Å²	159	185.6 Å²	185.6	74%	0.743	88%	0.879	S	S	*	*			trans	-64	130.3	-176.2	-76.8	173.5	-13.8	0	0	112	L13	Q11-L13 PolarHBondContact O-N 3.26Å
12	R	31.6	Very low	32.3	Very low	244 Å²	244	179.8 Å²	179.8	92%	0.921	86%	0.856	S	S	*	*			trans	-82.9	93	-178.2	-153.3	175.5	-173.8	-178.8	2.4	109.5	R14	R12-R14 PolarHBondContact O-N 2.73Å
13	L	33.4	Very low	32.7	Very low	154 Å²	154	176.5 Å²	176.5	81%	0.806	85%	0.853	S	S	*	*			trans	-78.3	104.2	173.8	-72.8	170.4	0	0	0	110.8	Q11 K15	Q11-L13 PolarHBondContact O-N 3.26Å; L13-K15 PolarHBondContact O-N 3.1Å
14	R	31.2	Very low	33.4	Very low	249 Å²	249	179 Å²	179	94%	0.94	86%	0.856	S	S	*	*			trans	-62.9	105.5	167.9	-78.7	175.3	164.1	170.5	-4.7	109.7	R12	R12-R14 PolarHBondContact O-N 2.73Å
15	K	32.4	Very low	33.9	Very low	202 Å²	202	182.7 Å²	182.7	88%	0.878	86%	0.858	S	S	*	*			trans	-86.2	113.8	166.4	-72.2	-175.7	179	178.1	0	109.1	L13	L13-K15 PolarHBondContact O-N 3.1Å
16	S	32.7	Very low	34.1	Very low	120 Å²	120	181.4 Å²	181.4	84%	0.839	85%	0.853	S	S	*	*			trans	-63	128.4	-178.2	-154.1	0	0	0	0	111.2	K18	S16-K18 PolarHBondContact O-N 3.45Å; S16-K18 VanDerWaalsContact O-N 3.11Å
17	A	32.7	Very low	34.6	Very low	93 Å²	93	178.2 Å²	178.2	77%	0.769	85%	0.849	S	S	*	*			trans	-69.2	103.7	177.1	0	0	0	0	0	109.7	T19	A17-T19 PolarHBondContact O-N 3.06Å; A17-T19 VanDerWaalsContact O-N 3.08Å
18	K	33.9	Very low	35.6	Very low	204 Å²	204	171.9 Å²	171.9	89%	0.887	83%	0.83	S	S	*	*			trans	-75.8	94.7	174.1	-159.1	172	-173.3	175.8	0	108.1	S16 R20	S16-K18 PolarHBondContact O-N 3.45Å; S16-K18 VanDerWaalsContact O-N 3.11Å; K18-R20 PolarHBondContact O-N 3.03Å
19	T	33.1	Very low	37.5	Very low	131 Å²	131	168 Å²	168	80%	0.804	83%	0.83	S	S	*	*			trans	-55.3	108.4	171.1	11.2	0	0	0	0	109.1	A17 R21	A17-T19 PolarHBondContact O-N 3.06Å; A17-T19 VanDerWaalsContact O-N 3.08Å; T19-R21 PolarHBondContact O-N 3.13Å
20	R	34	Very low	40	Very low	238 Å²	238	161.4 Å²	161.4	90%	0.898	81%	0.809	S	S	*	*			trans	-62.2	102.3	165.8	-102.6	-179.3	166.9	-178.4	-3.5	107	K18 V22	K18-R20 PolarHBondContact O-N 3.03Å; R20-V22 PolarHBondContact O-N 3.03Å
21	R	34	Very low	42.9	Very low	235 Å²	235	157.9 Å²	157.9	89%	0.887	78%	0.784	S	S	*	*			trans	-59.3	106.2	164.5	-80.1	-178	179.5	174	-0.3	107	T19 T23	T19-R21 PolarHBondContact O-N 3.13Å; R21-T23 VanDerWaalsContact C-N 3.33Å; R21-T23 PolarHBondContact O-N 2.86Å
22	V	37.6	Very low	45.9	Very low	126 Å²	126	153.1 Å²	153.1	76%	0.764	77%	0.766	S	S	*	*			trans	-60.8	103	161.7	175	0	0	0	0	105.2	R20 Q24	R20-V22 PolarHBondContact O-N 3.03Å; V22-Q24 VanDerWaalsContact C-N 3.34Å; V22-Q24 PolarHBondContact O-N 3.45Å
23	T	38.2	Very low	48.9	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	72%	0.722	S	S	*	*			trans	-59.7	103.6	165.2	24.5	0	0	0	0	106.4	R21 R25	R21-T23 VanDerWaalsContact C-N 3.33Å; R21-T23 PolarHBondContact O-N 2.86Å; T23-R25 PolarHBondContact O-N 3.32Å
24	Q	43.4	Very low	51.7	Low	184 Å²	184	138.8 Å²	138.8	86%	0.86	70%	0.701	S	S	*	*			trans	-59.2	108.5	167.7	-69.1	-153.5	-2.8	0	0	107	V22 K26	V22-Q24 VanDerWaalsContact C-N 3.34Å; V22-Q24 PolarHBondContact O-N 3.45Å; Q24-K26 PolarHBondContact O-N 3.32Å
25	R	43.4	Very low	54.6	Low	238 Å²	238	127.1 Å²	127.1	90%	0.898	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-58	126.2	168.4	-77.6	179.8	166.8	-175.8	-5	106.8	T23	T23-R25 PolarHBondContact O-N 3.32Å
26	K	39.1	Very low	57.5	Low	191 Å²	191	117.5 Å²	117.5	83%	0.83	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-47.4	138.5	169.2	-77.7	177.6	172.9	179.3	0	108.6	Q24 S28	Q24-K26 PolarHBondContact O-N 3.32Å; K26-S28 PolarHBondContact O-N 3.04Å; K26-S28 VanDerWaalsContact O-N 3.11Å
27	P	43.3	Very low	60.2	Low	125 Å²	125	116.4 Å²	116.4	81%	0.812	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.1	121	170.9	25.5	-29.6	0	0	0	106.9	S29	P27-S29 PolarHBondContact O-N 3.47Å
28	S	53.3	Low	63	Low	73 Å²	73	116.9 Å²	116.9	51%	0.51	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-62.5	127	175	45.6	0	0	0	0	108.4	K26 G30 E39	K26-S28 PolarHBondContact O-N 3.04Å; K26-S28 VanDerWaalsContact O-N 3.11Å; S28-G30 PolarHBondContact O-N 3.46Å; S28-G30 VanDerWaalsContact O-N 3.12Å; S28-E39 WeakPolarHBondContact CB-OE1 3.45Å; S28-E39 PolarHBondContact OG-OE1 3.13Å
29	S	71.1	Confident	65.9	Low	133 Å²	133	111.5 Å²	111.5	93%	0.93	57%	0.565	S	S	*	*			trans	-80	20.8	-177.7	57.9	0	0	0	0	112.8	P27	P27-S29 PolarHBondContact O-N 3.47Å
30	G	80.1	Confident	68.7	Low	36 Å²	36	107.6 Å²	107.6	37%	0.371	54%	0.541	S	S	.	.	S	Bend	trans	-88.4	159.2	-175.5	0	0	0	0	0	113	S28	S28-G30 PolarHBondContact O-N 3.46Å; S28-G30 VanDerWaalsContact O-N 3.12Å
31	P	90.8	Very high	71.6	Confident	54 Å²	54	99.1 Å²	99.1	35%	0.351	53%	0.528	S	S	.	.			trans	-63.6	135.1	173.2	28.5	-34.2	0	0	0	110.2	F49 Q51	P31-F49 HydrophobicContact CB-CE1 4.16Å; P31-F49 HydrophobicContact CB-CZ 4.2Å; P31-F49 HydrophobicContact CG-CE1 3.97Å; P31-F49 HydrophobicContact CG-CZ 4.33Å; P31-Q51 VanDerWaalsContact CG-OE1 3.32Å
32	V	93.9	Very high	74.3	Confident	59 Å²	59	90.6 Å²	90.6	36%	0.358	50%	0.5	S	S	.	.			trans	-112.5	150.2	175.8	-63.8	0	0	0	0	110.6	W34 Q38 E39 S56	V32-W34 PolarHBondContact O-N 2.86Å; V32-Q38 CarbonylContact C-O 3.44Å; V32-Q38 WeakPolarHBondContact CA-O 3.4Å; V32-E39 HydrophobicContact CG1-CG 4.34Å; V32-S56 PolarHBondContact O-OG 3.47Å
33	C	94.6	Very high	76.8	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	49%	0.49	C	S	.	.			trans	-65.2	130.2	176.1	169.5	0	0	0	0	111.4	L35 C36 L37 Q38 F49 S56 H58	C33-L35 PolarHBondContact O-N 2.9Å; C33-L35 PolarHBondContact SG-N 3Å; C33-L35 VanDerWaalsContact SG-N 3.37Å; C33-C36 VanDerWaalsContact CB-SG 3.54Å; C33-C36 VanDerWaalsContact SG-SG 3.62Å; C33-L37 WeakPolarHBondContact O-CA 3.33Å; C33-L37 PolarHBondContact O-N 3.36Å; C33-Q38 PolarHBondContact N-O 3.48Å; C33-F49 HydrophobicContact CB-CE2 4.15Å; C33-S56 CarbonylContact C-O 3.52Å; C33-S56 VanDerWaalsContact CA-O 3.26Å; C33-S56 WeakPolarHBondContact CA-O 3.42Å; C33-H58 VanDerWaalsContact CB-CE1 3.43Å; C33-H58 WeakPolarHBondContact CB-CE1 3.45Å; C33-H58 WeakPolarHBondContact CB-ND1 3.32Å; C33-H58 PolarHBondContact SG-N 3.01Å; C33-H58 PolarHBondContact SG-ND1 3.41Å; C33-H58 VanDerWaalsContact SG-ND1 3.43Å
34	W	93.1	Very high	79.2	Confident	97 Å²	97	87 Å²	87	37%	0.367	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21	179.9	-80	44.2	0	0	0	114.5	V32 N54 I55 S56 V57 K87 A90	V32-W34 PolarHBondContact O-N 2.86Å; W34-N54 VanDerWaalsContact CZ2-O 3.24Å; W34-N54 WeakPolarHBondContact CZ2-O 3.33Å; W34-N54 PolarHBondContact NE1-O 2.93Å; W34-I55 HydrophobicContact CZ2-CG1 4.46Å; W34-S56 VanDerWaalsContact CD1-O 3.31Å; W34-S56 PolarHBondContact N-O 3.47Å; W34-V57 HydrophobicContact CB-CG1 4.06Å; W34-K87 HydrophobicContact CH2-CG 4.42Å; W34-K87 HydrophobicContact CZ3-CG 3.82Å; W34-A90 HydrophobicContact CE3-CB 4.17Å
35	L	92.4	Very high	81.4	Confident	4 Å²	4	83.7 Å²	83.7	2%	0.021	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-27.3	-175.1	-63.5	176.5	0	0	0	113.8	C33 V57 C61 L62 E89 A90 A107	C33-L35 PolarHBondContact O-N 2.9Å; C33-L35 PolarHBondContact SG-N 3Å; C33-L35 VanDerWaalsContact SG-N 3.37Å; L35-V57 HydrophobicContact CD1-CG1 4.49Å; L35-V57 HydrophobicContact CG-CG1 4.4Å; L35-C61 HydrophobicContact CB-CB 3.95Å; L35-C61 HydrophobicContact CD1-CB 3.95Å; L35-C61 VanDerWaalsContact CD1-O 3.31Å; L35-C61 WeakPolarHBondContact CD1-O 3.27Å; L35-L62 HydrophobicContact CD1-CD2 4.14Å; L35-E89 HydrophobicContact CD2-CG 4.08Å; L35-A90 HydrophobicContact CD2-CB 4.2Å; L35-A107 HydrophobicContact CB-CB 4.35Å; L35-A107 HydrophobicContact CD2-CB 4.21Å
36	C	91.9	Very high	83.8	Confident	1 Å²	1	73 Å²	73	1%	0.007	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-7.5	177.7	71.2	0	0	0	0	114.4	C33 Q38 H58 H120 P122	C33-C36 VanDerWaalsContact CB-SG 3.54Å; C33-C36 VanDerWaalsContact SG-SG 3.62Å; C36-Q38 PolarHBondContact O-N 2.96Å; C36-H58 VanDerWaalsContact SG-CE1 3.6Å; C36-H58 PolarHBondContact SG-ND1 2.92Å; C36-H120 HydrophobicContact CB-CB 4.31Å; C36-P122 HydrophobicContact CB-CG 4.3Å
37	L	90.4	Very high	86.4	Confident	97 Å²	97	64.1 Å²	64.1	51%	0.508	38%	0.379	S	S	.	.			trans	57.4	27.4	179.8	-47.9	177.7	0	0	0	113.2	C33	C33-L37 WeakPolarHBondContact O-CA 3.33Å; C33-L37 PolarHBondContact O-N 3.36Å
38	Q	91.3	Very high	88.8	Confident	103 Å²	103	63.6 Å²	63.6	48%	0.481	37%	0.366	S	S	.	.			trans	-110.6	155.9	174.7	-58.9	-53.9	-56.8	0	0	110.4	V32 C33 C36 P122	V32-Q38 CarbonylContact C-O 3.44Å; V32-Q38 WeakPolarHBondContact CA-O 3.4Å; C33-Q38 PolarHBondContact N-O 3.48Å; C36-Q38 PolarHBondContact O-N 2.96Å; Q38-P122 HydrophobicContact CG-CG 4.14Å
39	E	94.3	Very high	90.8	Very high	91 Å²	91	62 Å²	62	43%	0.425	35%	0.35	S	S	.	.			trans	-59.9	167.9	167.6	-64	-172	142.3	0	0	112	S28 V32 G41 H58	S28-E39 WeakPolarHBondContact CB-OE1 3.45Å; S28-E39 PolarHBondContact OG-OE1 3.13Å; V32-E39 HydrophobicContact CG1-CG 4.34Å; E39-G41 PolarHBondContact O-N 3.49Å; E39-G41 VanDerWaalsContact O-N 3.07Å; E39-H58 PolarHBondContact O-CE1 2.81Å; E39-H58 VanDerWaalsContact O-CE1 3.22Å; E39-H58 PolarHBondContact O-NE2 2.59Å
40	P	93.4	Very high	91.9	Very high	49 Å²	49	56.6 Å²	56.6	32%	0.318	31%	0.31	S	S	.	.	S	Bend	trans	-50	-35.9	-176.9	-30.1	35.7	0	0	0	115.4	F49 H58	P40-F49 HydrophobicContact CB-CB 3.8Å; P40-F49 HydrophobicContact CB-CD1 4.1Å; P40-F49 HydrophobicContact CB-CD2 3.81Å; P40-F49 HydrophobicContact CB-CE2 4.3Å; P40-F49 HydrophobicContact CB-CG 3.64Å; P40-F49 HydrophobicContact CG-CB 4.34Å; P40-F49 HydrophobicContact CG-CD1 3.66Å; P40-F49 HydrophobicContact CG-CD2 3.87Å; P40-F49 HydrophobicContact CG-CE1 3.74Å; P40-F49 HydrophobicContact CG-CE2 3.93Å; P40-F49 HydrophobicContact CG-CG 3.69Å; P40-F49 HydrophobicContact CG-CZ 3.83Å; P40-H58 VanDerWaalsContact C-NE2 3.32Å; P40-H58 VanDerWaalsContact CA-NE2 3.3Å; P40-H58 WeakPolarHBondContact CA-NE2 3.41Å; P40-H58 PolarHBondContact O-CD2 2.83Å; P40-H58 PolarHBondContact O-NE2 2.64Å
41	G	92.9	Very high	92.4	Very high	59 Å²	59	60.7 Å²	60.7	61%	0.608	32%	0.32	S	S	*	.			trans	57.1	-144	178.3	0	0	0	0	0	113.2	E39	E39-G41 PolarHBondContact O-N 3.49Å; E39-G41 VanDerWaalsContact O-N 3.07Å
42	D	91.4	Very high	92.3	Very high	56 Å²	56	63.1 Å²	63.1	30%	0.299	33%	0.325	S	S	.	.			trans	-93	115	-176.8	177.9	-2.4	0	0	0	110.5	E44 K45 L46	D42-E44 PolarHBondContact O-N 2.88Å; D42-E44 WeakPolarHBondContact OD1-CB 3.24Å; D42-E44 PolarHBondContact OD1-N 2.63Å; D42-K45 HydrophobicContact CB-CB 4.34Å; D42-K45 HydrophobicContact CB-CD 4.17Å; D42-K45 HydrophobicContact CB-CG 4.34Å; D42-K45 PolarHBondContact O-N 3.41Å; D42-K45 WeakPolarHBondContact OD2-CD 3.46Å; D42-K45 VanDerWaalsContact OD2-CE 3.23Å; D42-K45 WeakPolarHBondContact OD2-CE 3.48Å; D42-K45 IonicContact OD2-NZ 3.67Å; D42-K45 PolarHBondContact OD2-NZ 3.39Å; D42-L46 PolarHBondContact O-N 3.12Å
43	P	91	Very high	91.8	Very high	85 Å²	85	66.6 Å²	66.6	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-60.5	-24.9	-179.8	-23.7	34.3	0	0	0	114.1	K45 G47	P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3.35Å; P43-G47 CarbonylContact O-C 3.55Å; P43-G47 WeakPolarHBondContact O-CA 3.35Å; P43-G47 PolarHBondContact O-N 3.34Å
44	E	87.5	Confident	91.5	Very high	91 Å²	91	73.5 Å²	73.5	43%	0.425	38%	0.378	S	S	.	.	H	α-helix	trans	-68.8	-29.2	175.6	-67.4	-174.4	-175.6	0	0	111.8	D42	D42-E44 PolarHBondContact O-N 2.88Å; D42-E44 WeakPolarHBondContact OD1-CB 3.24Å; D42-E44 PolarHBondContact OD1-N 2.63Å
45	K	90.3	Very high	91.4	Very high	116 Å²	116	69.2 Å²	69.2	50%	0.504	36%	0.363	S	S	.	.	H	α-helix	trans	-94	-35.1	-177.2	-67.8	177	-172.5	152.5	0	113.1	D42 P43 F60 Q125	D42-K45 HydrophobicContact CB-CB 4.34Å; D42-K45 HydrophobicContact CB-CD 4.17Å; D42-K45 HydrophobicContact CB-CG 4.34Å; D42-K45 PolarHBondContact O-N 3.41Å; D42-K45 WeakPolarHBondContact OD2-CD 3.46Å; D42-K45 VanDerWaalsContact OD2-CE 3.23Å; D42-K45 WeakPolarHBondContact OD2-CE 3.48Å; D42-K45 IonicContact OD2-NZ 3.67Å; D42-K45 PolarHBondContact OD2-NZ 3.39Å; P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3.35Å; K45-F60 WeakPolarHBondContact O-CD2 3.32Å; K45-Q125 PolarHBondContact O-NE2 3.02Å
46	L	94.3	Very high	91.5	Very high	13 Å²	13	69.5 Å²	69.5	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-112.1	-6.6	-173	-56.3	179.1	0	0	0	112.6	D42 H58 F60 L121 P122	D42-L46 PolarHBondContact O-N 3.12Å; L46-H58 HydrophobicContact CB-CB 4.18Å; L46-H58 VanDerWaalsContact CB-CD2 3.49Å; L46-H58 WeakPolarHBondContact CB-CD2 3.44Å; L46-H58 WeakPolarHBondContact O-CB 3.11Å; L46-F60 WeakPolarHBondContact O-CB 3.41Å; L46-F60 WeakPolarHBondContact O-CG 3.49Å; L46-F60 PolarHBondContact O-N 3.36Å; L46-L121 HydrophobicContact CD2-CD2 4.02Å; L46-L121 HydrophobicContact CD2-CG 4.2Å; L46-P122 HydrophobicContact CD2-CB 4.42Å; L46-P122 HydrophobicContact CD2-CG 3.8Å
47	G	93.4	Very high	91.7	Very high	4 Å²	4	69.5 Å²	69.5	4%	0.041	37%	0.365	C	S	.	.			trans	76.3	176.5	-170.4	0	0	0	0	0	111	P43 F49	P43-G47 CarbonylContact O-C 3.55Å; P43-G47 WeakPolarHBondContact O-CA 3.35Å; P43-G47 PolarHBondContact O-N 3.34Å; G47-F49 PolarHBondContact O-N 3.11Å
48	E	93.3	Very high	91.9	Very high	115 Å²	115	64.9 Å²	64.9	54%	0.537	34%	0.34	S	S	.	.			trans	-53.6	137.4	177.4	-171.8	-179.6	173.2	0	0	111.5	L50 Y59	E48-L50 HydrophobicContact CB-CD2 4.24Å; E48-L50 HydrophobicContact CG-CD2 3.83Å; E48-L50 PolarHBondContact O-N 2.8Å; E48-Y59 PolarHBondContact O-N 3.19Å
49	F	95.4	Very high	92.1	Very high	40 Å²	40	62.4 Å²	62.4	18%	0.175	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	104.1	173.1	-170.7	-100.4	0	0	0	109.8	P31 C33 P40 G47 H58	P31-F49 HydrophobicContact CB-CE1 4.16Å; P31-F49 HydrophobicContact CB-CZ 4.2Å; P31-F49 HydrophobicContact CG-CE1 3.97Å; P31-F49 HydrophobicContact CG-CZ 4.33Å; C33-F49 HydrophobicContact CB-CE2 4.15Å; P40-F49 HydrophobicContact CB-CB 3.8Å; P40-F49 HydrophobicContact CB-CD1 4.1Å; P40-F49 HydrophobicContact CB-CD2 3.81Å; P40-F49 HydrophobicContact CB-CE2 4.3Å; P40-F49 HydrophobicContact CB-CG 3.64Å; P40-F49 HydrophobicContact CG-CB 4.34Å; P40-F49 HydrophobicContact CG-CD1 3.66Å; P40-F49 HydrophobicContact CG-CD2 3.87Å; P40-F49 HydrophobicContact CG-CE1 3.74Å; P40-F49 HydrophobicContact CG-CE2 3.93Å; P40-F49 HydrophobicContact CG-CG 3.69Å; P40-F49 HydrophobicContact CG-CZ 3.83Å; G47-F49 PolarHBondContact O-N 3.11Å; F49-H58 AromaticContact CD2-CD2 3.55Å; F49-H58 AromaticContact CD2-NE2 3.49Å; F49-H58 WeakPolarHBondContact CD2-NE2 3.4Å; F49-H58 AromaticContact CE2-NE2 3.92Å
50	L	93.4	Very high	92.2	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.3	-176	-54.6	169.8	0	0	0	109.4	E48 S56 V57 Y59 L62 F78	E48-L50 HydrophobicContact CB-CD2 4.24Å; E48-L50 HydrophobicContact CG-CD2 3.83Å; E48-L50 PolarHBondContact O-N 2.8Å; L50-S56 WeakPolarHBondContact O-CA 3.32Å; L50-V57 HydrophobicContact CB-CG2 4.36Å; L50-V57 PolarHBondContact N-O 3.04Å; L50-V57 PolarHBondContact O-N 3.06Å; L50-Y59 HydrophobicContact CD1-CD2 4.3Å; L50-L62 HydrophobicContact CD1-CD1 3.9Å; L50-F78 HydrophobicContact CB-CD1 3.45Å; L50-F78 VanDerWaalsContact CB-CD1 3.45Å; L50-F78 HydrophobicContact CB-CE1 3.72Å; L50-F78 HydrophobicContact CD1-CB 4.22Å; L50-F78 HydrophobicContact CD1-CD1 3.9Å; L50-F78 HydrophobicContact CG-CD1 4.32Å
51	Q	92.2	Very high	92.4	Very high	123 Å²	123	56.4 Å²	56.4	58%	0.575	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.4	176.1	-174.7	174	-25.7	0	0	110.2	P31 I55	P31-Q51 VanDerWaalsContact CG-OE1 3.32Å; Q51-I55 WeakPolarHBondContact CA-O 3.3Å
52	K	87.1	Confident	92.4	Very high	105 Å²	105	53.6 Å²	53.6	46%	0.457	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	133.6	174.9	-169.3	174.1	-179.8	173.3	0	109.7	N54 I55 F78	K52-N54 PolarHBondContact O-N 3.46Å; K52-I55 PolarHBondContact N-O 3.36Å; K52-I55 PolarHBondContact O-N 3.14Å; K52-F78 HydrophobicContact CB-CE1 4.2Å; K52-F78 HydrophobicContact CB-CE2 4.25Å; K52-F78 HydrophobicContact CB-CZ 3.68Å
53	D	84.3	Confident	92.6	Very high	131 Å²	131	51.5 Å²	51.5	70%	0.701	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	-122.5	-172.7	-49.8	-47.4	0	0	0	110.5
54	N	87.3	Confident	92.9	Very high	145 Å²	145	47.6 Å²	47.6	78%	0.775	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	14.2	178.7	-64.5	-30.2	0	0	0	113.3	W34 K52	W34-N54 VanDerWaalsContact CZ2-O 3.24Å; W34-N54 WeakPolarHBondContact CZ2-O 3.33Å; W34-N54 PolarHBondContact NE1-O 2.93Å; K52-N54 PolarHBondContact O-N 3.46Å
55	I	92	Very high	93.3	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	-179	-57.3	177.8	0	0	0	109.3	W34 Q51 K52 V57 F78 P83 I86 K87	W34-I55 HydrophobicContact CZ2-CG1 4.46Å; Q51-I55 WeakPolarHBondContact CA-O 3.3Å; K52-I55 PolarHBondContact N-O 3.36Å; K52-I55 PolarHBondContact O-N 3.14Å; I55-V57 HydrophobicContact CG2-CG1 4.09Å; I55-V57 HydrophobicContact CG2-CG2 4.4Å; I55-F78 HydrophobicContact CB-CE2 4.18Å; I55-F78 HydrophobicContact CB-CZ 3.83Å; I55-F78 HydrophobicContact CG2-CE1 4.48Å; I55-F78 HydrophobicContact CG2-CE2 4.08Å; I55-F78 HydrophobicContact CG2-CZ 3.78Å; I55-P83 HydrophobicContact CD1-CB 3.62Å; I55-I86 HydrophobicContact CG2-CG2 4.07Å; I55-K87 HydrophobicContact CD1-CG 4.34Å
56	S	94.6	Very high	93.4	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.2	174.9	42.2	0	0	0	0	109.1	V32 C33 W34 L50	V32-S56 PolarHBondContact O-OG 3.47Å; C33-S56 CarbonylContact C-O 3.52Å; C33-S56 VanDerWaalsContact CA-O 3.26Å; C33-S56 WeakPolarHBondContact CA-O 3.42Å; W34-S56 VanDerWaalsContact CD1-O 3.31Å; W34-S56 PolarHBondContact N-O 3.47Å; L50-S56 WeakPolarHBondContact O-CA 3.32Å
57	V	95.3	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	141.5	-174.2	-75.5	0	0	0	0	111.6	W34 L35 L50 I55 L62 F78 I86	W34-V57 HydrophobicContact CB-CG1 4.06Å; L35-V57 HydrophobicContact CD1-CG1 4.49Å; L35-V57 HydrophobicContact CG-CG1 4.4Å; L50-V57 HydrophobicContact CB-CG2 4.36Å; L50-V57 PolarHBondContact N-O 3.04Å; L50-V57 PolarHBondContact O-N 3.06Å; I55-V57 HydrophobicContact CG2-CG1 4.09Å; I55-V57 HydrophobicContact CG2-CG2 4.4Å; V57-L62 HydrophobicContact CB-CD1 4.48Å; V57-L62 HydrophobicContact CB-CD2 4.22Å; V57-L62 HydrophobicContact CB-CG 4.22Å; V57-L62 HydrophobicContact CG1-CD2 4.37Å; V57-L62 HydrophobicContact CG2-CD1 3.79Å; V57-L62 HydrophobicContact CG2-CD2 4.01Å; V57-L62 HydrophobicContact CG2-CG 4.03Å; V57-F78 HydrophobicContact CG2-CD1 3.57Å; V57-F78 HydrophobicContact CG2-CE1 3.64Å; V57-F78 HydrophobicContact CG2-CG 4.29Å; V57-F78 HydrophobicContact CG2-CZ 4.39Å; V57-I86 HydrophobicContact CG1-CG2 3.94Å
58	H	96.3	Very high	93.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.7	167.2	-66.1	114.4	0	0	0	110.4	C33 C36 E39 P40 L46 F49 F60 C61 L62	C33-H58 VanDerWaalsContact CB-CE1 3.43Å; C33-H58 WeakPolarHBondContact CB-CE1 3.45Å; C33-H58 WeakPolarHBondContact CB-ND1 3.32Å; C33-H58 PolarHBondContact SG-N 3.01Å; C33-H58 PolarHBondContact SG-ND1 3.41Å; C33-H58 VanDerWaalsContact SG-ND1 3.43Å; C36-H58 VanDerWaalsContact SG-CE1 3.6Å; C36-H58 PolarHBondContact SG-ND1 2.92Å; E39-H58 PolarHBondContact O-CE1 2.81Å; E39-H58 VanDerWaalsContact O-CE1 3.22Å; E39-H58 PolarHBondContact O-NE2 2.59Å; P40-H58 VanDerWaalsContact C-NE2 3.32Å; P40-H58 VanDerWaalsContact CA-NE2 3.3Å; P40-H58 WeakPolarHBondContact CA-NE2 3.41Å; P40-H58 PolarHBondContact O-CD2 2.83Å; P40-H58 PolarHBondContact O-NE2 2.64Å; L46-H58 HydrophobicContact CB-CB 4.18Å; L46-H58 VanDerWaalsContact CB-CD2 3.49Å; L46-H58 WeakPolarHBondContact CB-CD2 3.44Å; L46-H58 WeakPolarHBondContact O-CB 3.11Å; F49-H58 AromaticContact CD2-CD2 3.55Å; F49-H58 AromaticContact CD2-NE2 3.49Å; F49-H58 WeakPolarHBondContact CD2-NE2 3.4Å; F49-H58 AromaticContact CE2-NE2 3.92Å; H58-F60 VanDerWaalsContact C-N 3.34Å; H58-F60 PolarHBondContact O-N 3.39Å; H58-C61 HydrophobicContact CB-CB 3.93Å; H58-C61 WeakPolarHBondContact O-CB 3.37Å; H58-C61 PolarHBondContact O-N 2.91Å; H58-C61 VanDerWaalsContact O-N 3.1Å; H58-L62 PolarHBondContact O-N 3.42Å; H58-L62 VanDerWaalsContact O-N 3.16Å
59	Y	95	Very high	93	Very high	52 Å²	52	43.5 Å²	43.5	20%	0.204	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-44	177.7	177.2	-118.2	0	0	0	112.4	E48 L50 C61 L62 I63 H79	E48-Y59 PolarHBondContact O-N 3.19Å; L50-Y59 HydrophobicContact CD1-CD2 4.3Å; Y59-C61 VanDerWaalsContact C-N 3.29Å; Y59-C61 PolarHBondContact O-N 2.87Å; Y59-L62 WeakPolarHBondContact O-CB 3.26Å; Y59-L62 PolarHBondContact O-N 3.43Å; Y59-I63 HydrophobicContact CD1-CD1 4.36Å; Y59-I63 HydrophobicContact CD2-CG2 4.27Å; Y59-I63 HydrophobicContact CE1-CD1 3.93Å; Y59-I63 HydrophobicContact CE1-CG2 4.39Å; Y59-I63 HydrophobicContact CE2-CG2 3.64Å; Y59-I63 PolarHBondContact O-N 2.79Å; Y59-H79 AromaticContact CD2-CD2 3.88Å; Y59-H79 HydrophobicContact CE2-CB 4.18Å; Y59-H79 AromaticContact CE2-CD2 3.97Å
60	F	96.4	Very high	92.7	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.044	23%	0.232	C	C	.	.	H	α-helix	trans	-69.1	-28.9	178.4	-62.3	-15.6	0	0	0	112.7	K45 L46 H58 L62 I63 L64 L121 F133 H223	K45-F60 WeakPolarHBondContact O-CD2 3.32Å; L46-F60 WeakPolarHBondContact O-CB 3.41Å; L46-F60 WeakPolarHBondContact O-CG 3.49Å; L46-F60 PolarHBondContact O-N 3.36Å; H58-F60 VanDerWaalsContact C-N 3.34Å; H58-F60 PolarHBondContact O-N 3.39Å; F60-L62 VanDerWaalsContact C-N 3.26Å; F60-L62 PolarHBondContact O-N 3.49Å; F60-I63 HydrophobicContact CD1-CD1 3.79Å; F60-I63 HydrophobicContact CE1-CD1 4.47Å; F60-L64 HydrophobicContact CB-CD1 4.29Å; F60-L64 WeakPolarHBondContact O-CB 3.39Å; F60-L64 WeakPolarHBondContact O-CD1 3.35Å; F60-L64 WeakPolarHBondContact O-CG 3.31Å; F60-L64 PolarHBondContact O-N 3.19Å; F60-L64 VanDerWaalsContact O-N 3.13Å; F60-L121 HydrophobicContact CB-CD2 3.51Å; F60-F133 HydrophobicContact CB-CE1 4.11Å; F60-F133 HydrophobicContact CD1-CD1 4.33Å; F60-F133 AromaticContact CD1-CE1 3.73Å; F60-F133 HydrophobicContact CD1-CE1 3.73Å; F60-F133 AromaticContact CD2-CE1 3.85Å; F60-F133 HydrophobicContact CD2-CE1 3.85Å; F60-F133 AromaticContact CD2-CZ 3.99Å; F60-F133 HydrophobicContact CD2-CZ 3.99Å; F60-F133 HydrophobicContact CE1-CD1 4.45Å; F60-F133 HydrophobicContact CE1-CE1 4.06Å; F60-F133 HydrophobicContact CE2-CE1 4.19Å; F60-F133 HydrophobicContact CE2-CZ 4.26Å; F60-F133 AromaticContact CG-CE1 3.64Å; F60-F133 HydrophobicContact CG-CE1 3.64Å; F60-F133 HydrophobicContact CG-CZ 4.23Å; F60-F133 HydrophobicContact CZ-CE1 4.3Å; F60-H223 AromaticContact CE1-CE1 3.57Å; F60-H223 AromaticContact CE1-ND1 3.74Å; F60-H223 AromaticContact CE1-NE2 3.92Å; F60-H223 HydrophobicContact CZ-CB 4.47Å; F60-H223 AromaticContact CZ-CE1 3.61Å; F60-H223 AromaticContact CZ-CG 3.86Å; F60-H223 AromaticContact CZ-ND1 3.31Å; F60-H223 VanDerWaalsContact CZ-ND1 3.31Å; F60-H223 WeakPolarHBondContact CZ-ND1 3.21Å
61	C	96	Very high	92.3	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-30.4	171.3	-72.5	0	0	0	0	112.2	L35 H58 Y59 S65	L35-C61 HydrophobicContact CB-CB 3.95Å; L35-C61 HydrophobicContact CD1-CB 3.95Å; L35-C61 VanDerWaalsContact CD1-O 3.31Å; L35-C61 WeakPolarHBondContact CD1-O 3.27Å; H58-C61 HydrophobicContact CB-CB 3.93Å; H58-C61 WeakPolarHBondContact O-CB 3.37Å; H58-C61 PolarHBondContact O-N 2.91Å; H58-C61 VanDerWaalsContact O-N 3.1Å; Y59-C61 VanDerWaalsContact C-N 3.29Å; Y59-C61 PolarHBondContact O-N 2.87Å; C61-S65 WeakPolarHBondContact O-CB 3.17Å; C61-S65 PolarHBondContact O-N 3.26Å
62	L	94.9	Very high	91.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69	-59.7	176.5	-69.1	170.5	0	0	0	110.9	L35 L50 V57 H58 Y59 F60 L64 S65 L68 F78 F81 I86	L35-L62 HydrophobicContact CD1-CD2 4.14Å; L50-L62 HydrophobicContact CD1-CD1 3.9Å; V57-L62 HydrophobicContact CB-CD1 4.48Å; V57-L62 HydrophobicContact CB-CD2 4.22Å; V57-L62 HydrophobicContact CB-CG 4.22Å; V57-L62 HydrophobicContact CG1-CD2 4.37Å; V57-L62 HydrophobicContact CG2-CD1 3.79Å; V57-L62 HydrophobicContact CG2-CD2 4.01Å; V57-L62 HydrophobicContact CG2-CG 4.03Å; H58-L62 PolarHBondContact O-N 3.42Å; H58-L62 VanDerWaalsContact O-N 3.16Å; Y59-L62 WeakPolarHBondContact O-CB 3.26Å; Y59-L62 PolarHBondContact O-N 3.43Å; F60-L62 VanDerWaalsContact C-N 3.26Å; F60-L62 PolarHBondContact O-N 3.49Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.37Å; L62-S65 WeakPolarHBondContact O-CB 3.13Å; L62-S65 PolarHBondContact O-N 3.38Å; L62-S65 VanDerWaalsContact O-N 3.14Å; L62-L68 HydrophobicContact CB-CD2 4.2Å; L62-L68 HydrophobicContact CD2-CD2 3.57Å; L62-F78 HydrophobicContact CD1-CB 3.81Å; L62-F78 HydrophobicContact CD1-CG 4.48Å; L62-F81 HydrophobicContact CB-CD2 3.93Å; L62-F81 HydrophobicContact CB-CE2 3.97Å; L62-F81 HydrophobicContact CB-CG 4.39Å; L62-F81 HydrophobicContact CB-CZ 4.41Å; L62-F81 HydrophobicContact CD1-CD2 4.08Å; L62-F81 HydrophobicContact CD2-CB 4.45Å; L62-F81 HydrophobicContact CD2-CG 4.47Å; L62-F81 HydrophobicContact CG-CD2 4.47Å; L62-I86 HydrophobicContact CD2-CD1 3.75Å; L62-I86 HydrophobicContact CD2-CG1 3.73Å; L62-I86 HydrophobicContact CD2-CG2 4.46Å
63	I	94.5	Very high	90.9	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-31.3	-173.3	66.7	-171.5	0	0	0	112.8	Y59 F60 S65 F81 F133 Y137	Y59-I63 HydrophobicContact CD1-CD1 4.36Å; Y59-I63 HydrophobicContact CD2-CG2 4.27Å; Y59-I63 HydrophobicContact CE1-CD1 3.93Å; Y59-I63 HydrophobicContact CE1-CG2 4.39Å; Y59-I63 HydrophobicContact CE2-CG2 3.64Å; Y59-I63 PolarHBondContact O-N 2.79Å; F60-I63 HydrophobicContact CD1-CD1 3.79Å; F60-I63 HydrophobicContact CE1-CD1 4.47Å; I63-S65 VanDerWaalsContact C-N 3.34Å; I63-F81 HydrophobicContact CG2-CE2 3.78Å; I63-F81 HydrophobicContact CG2-CZ 4.02Å; I63-F133 HydrophobicContact CD1-CD1 3.81Å; I63-F133 HydrophobicContact CD1-CE1 4.16Å; I63-Y137 HydrophobicContact CB-CD1 4.01Å; I63-Y137 HydrophobicContact CB-CE1 4.12Å; I63-Y137 HydrophobicContact CB-CG 4.25Å; I63-Y137 HydrophobicContact CD1-CD1 4.11Å; I63-Y137 HydrophobicContact CD1-CE1 3.92Å; I63-Y137 HydrophobicContact CG1-CD1 4.03Å; I63-Y137 HydrophobicContact CG1-CE1 4.24Å; I63-Y137 WeakPolarHBondContact O-CB 3.26Å
64	L	96.8	Very high	89.9	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.7	179.6	-60.2	174.4	0	0	0	113.2	F60 L62 S66 I108 L121 F133	F60-L64 HydrophobicContact CB-CD1 4.29Å; F60-L64 WeakPolarHBondContact O-CB 3.39Å; F60-L64 WeakPolarHBondContact O-CD1 3.35Å; F60-L64 WeakPolarHBondContact O-CG 3.31Å; F60-L64 PolarHBondContact O-N 3.19Å; F60-L64 VanDerWaalsContact O-N 3.13Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.37Å; L64-S66 PolarHBondContact O-N 3.3Å; L64-I108 HydrophobicContact CB-CD1 3.77Å; L64-I108 HydrophobicContact CB-CG1 4.35Å; L64-I108 HydrophobicContact CD1-CD1 4.39Å; L64-L121 HydrophobicContact CD1-CD1 3.57Å; L64-L121 HydrophobicContact CD1-CD2 4.14Å; L64-L121 HydrophobicContact CD1-CG 4.47Å; L64-F133 HydrophobicContact CD1-CE1 3.92Å; L64-F133 HydrophobicContact CD1-CZ 4.06Å; L64-F133 HydrophobicContact CD2-CD1 4.44Å; L64-F133 HydrophobicContact CD2-CE1 4.31Å; L64-F133 HydrophobicContact CG-CE1 4.29Å
65	S	96	Very high	88.7	Confident	8 Å²	8	46.9 Å²	46.9	6%	0.056	24%	0.24	C	C	.	.			trans	-71.9	126.6	-178.5	-172.7	0	0	0	0	111.6	C61 L62 I63 K67 L68 E89	C61-S65 WeakPolarHBondContact O-CB 3.17Å; C61-S65 PolarHBondContact O-N 3.26Å; L62-S65 WeakPolarHBondContact O-CB 3.13Å; L62-S65 PolarHBondContact O-N 3.38Å; L62-S65 VanDerWaalsContact O-N 3.14Å; I63-S65 VanDerWaalsContact C-N 3.34Å; S65-K67 PolarHBondContact O-N 3.21Å; S65-L68 PolarHBondContact O-N 3.2Å; S65-E89 WeakPolarHBondContact OG-CG 3.41Å; S65-E89 PolarHBondContact OG-OE1 3.13Å
66	S	92.4	Very high	87.1	Confident	25 Å²	25	54.6 Å²	54.6	18%	0.175	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.1	-163.2	-47.4	0	0	0	0	115.9	L64 A107 N109	L64-S66 PolarHBondContact O-N 3.3Å; S66-A107 PolarHBondContact N-O 2.98Å; S66-A107 PolarHBondContact OG-O 3.1Å; S66-N109 WeakPolarHBondContact CB-OD1 3.43Å; S66-N109 PolarHBondContact OG-N 2.87Å; S66-N109 PolarHBondContact OG-OD1 2.79Å
67	K	91.7	Very high	85.7	Confident	147 Å²	147	55.9 Å²	55.9	64%	0.639	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.8	31.5	-179	-63.5	-65.3	167.7	-165.3	0	112.5	S65 E89	S65-K67 PolarHBondContact O-N 3.21Å; K67-E89 WeakPolarHBondContact CB-OE2 3.44Å
68	L	92.9	Very high	84.8	Confident	19 Å²	19	56.1 Å²	56.1	10%	0.099	28%	0.284	C	S	.	.			trans	-105.8	110	176.4	-171.1	62.7	0	0	0	111.4	L62 S65 F81 D85 I86 E89	L62-L68 HydrophobicContact CB-CD2 4.2Å; L62-L68 HydrophobicContact CD2-CD2 3.57Å; S65-L68 PolarHBondContact O-N 3.2Å; L68-F81 HydrophobicContact CB-CE1 4.49Å; L68-F81 HydrophobicContact CD1-CD1 4.44Å; L68-F81 HydrophobicContact CD2-CD1 3.56Å; L68-F81 HydrophobicContact CD2-CE1 3.84Å; L68-F81 HydrophobicContact CD2-CG 4.19Å; L68-F81 HydrophobicContact CG-CD1 3.59Å; L68-F81 HydrophobicContact CG-CE1 3.83Å; L68-D85 VanDerWaalsContact CD1-C 3.45Å; L68-D85 HydrophobicContact CD1-CB 3.91Å; L68-D85 WeakPolarHBondContact CD1-O 3.36Å; L68-I86 HydrophobicContact CD1-CG1 4.28Å; L68-I86 HydrophobicContact CD2-CG1 4.35Å; L68-E89 HydrophobicContact CB-CB 4.45Å; L68-E89 HydrophobicContact CB-CG 4.09Å; L68-E89 HydrophobicContact CD1-CB 3.83Å; L68-E89 HydrophobicContact CD1-CG 4.33Å
69	P	88.6	Confident	84.1	Confident	54 Å²	54	59.8 Å²	59.8	35%	0.351	30%	0.301	S	S	.	.			trans	-81.7	139.1	178.4	33.8	-35.9	0	0	0	111.9	R71 D85	P69-R71 HydrophobicContact CB-CG 4.04Å; P69-D85 HydrophobicContact CG-CB 4.49Å
70	Q	88.3	Confident	83.6	Confident	103 Å²	103	57.3 Å²	57.3	48%	0.481	29%	0.291	S	S	.	.			trans	-96	93.8	172.2	-167.2	-177.2	14.4	0	0	109	H79 F81	Q70-H79 PolarHBondContact NE2-O 3.19Å; Q70-F81 HydrophobicContact CB-CD1 4.11Å; Q70-F81 HydrophobicContact CB-CE1 3.65Å; Q70-F81 HydrophobicContact CB-CE2 4.47Å; Q70-F81 HydrophobicContact CB-CZ 3.84Å; Q70-F81 HydrophobicContact CG-CD1 4.37Å; Q70-F81 HydrophobicContact CG-CD2 4.42Å; Q70-F81 HydrophobicContact CG-CE1 4.14Å; Q70-F81 HydrophobicContact CG-CE2 4.14Å; Q70-F81 HydrophobicContact CG-CZ 4.01Å
71	R	84.9	Confident	83.3	Confident	165 Å²	165	57.1 Å²	57.1	62%	0.623	29%	0.29	S	S	*	.			trans	-116.8	-9	-174	-63.7	-179	-65.1	161.9	-0.3	114.2	P69 G80 D85	P69-R71 HydrophobicContact CB-CG 4.04Å; R71-G80 PolarHBondContact N-O 3.23Å; R71-D85 IonicContact CZ-OD2 3.51Å; R71-D85 IonicContact NE-OD2 3.46Å; R71-D85 PolarHBondContact NE-OD2 2.5Å; R71-D85 VanDerWaalsContact NH2-CG 3.3Å; R71-D85 IonicContact NH2-OD1 3.1Å; R71-D85 PolarHBondContact NH2-OD1 3.31Å; R71-D85 VanDerWaalsContact NH2-OD1 3.1Å; R71-D85 IonicContact NH2-OD2 2.73Å; R71-D85 PolarHBondContact NH2-OD2 2.96Å
72	G	78.5	Confident	83.1	Confident	23 Å²	23	59.8 Å²	59.8	24%	0.237	30%	0.304	C	S	.	.	S	Bend	trans	-81.1	164.1	176.3	0	0	0	0	0	112	G80	G72-G80 VanDerWaalsContact CA-O 3.3Å; G72-G80 WeakPolarHBondContact CA-O 3.11Å; G72-G80 PolarHBondContact N-O 2.95Å; G72-G80 WeakPolarHBondContact O-CA 3.28Å
73	Q	72	Confident	82.9	Confident	116 Å²	116	61.2 Å²	61.2	54%	0.542	31%	0.313	S	S	.	.			trans	-62.4	141.8	168	-66.7	177.4	-17.7	0	0	109.9	N75 R76 G80	Q73-N75 WeakPolarHBondContact CB-OD1 3.47Å; Q73-N75 PolarHBondContact O-N 3Å; Q73-N75 VanDerWaalsContact O-N 3.14Å; Q73-R76 HydrophobicContact CB-CB 4.43Å; Q73-R76 HydrophobicContact CB-CG 4.37Å; Q73-R76 PolarHBondContact O-N 3.33Å; Q73-G80 VanDerWaalsContact O-CA 3.32Å; Q73-G80 WeakPolarHBondContact O-CA 3.42Å; Q73-G80 PolarHBondContact O-N 2.98Å
74	S	64.4	Low	82.7	Confident	98 Å²	98	65.7 Å²	65.7	69%	0.685	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.5	-177.6	52.1	0	0	0	0	113.4
75	N	61.3	Low	82.6	Confident	128 Å²	128	65.9 Å²	65.9	68%	0.684	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	1.7	178	68.1	-7.1	0	0	0	114.7	Q73	Q73-N75 WeakPolarHBondContact CB-OD1 3.47Å; Q73-N75 PolarHBondContact O-N 3Å; Q73-N75 VanDerWaalsContact O-N 3.14Å
76	R	59.2	Low	82.5	Confident	170 Å²	170	65.5 Å²	65.5	64%	0.642	33%	0.332	S	S	*	.	S	Bend	trans	-118	139.3	-179.2	-69.9	-171.1	-177	-159.4	-0.6	111.8	Q73 G80	Q73-R76 HydrophobicContact CB-CB 4.43Å; Q73-R76 HydrophobicContact CB-CG 4.37Å; Q73-R76 PolarHBondContact O-N 3.33Å; R76-G80 PolarHBondContact O-N 2.78Å
77	G	63.2	Low	82.5	Confident	36 Å²	36	69.3 Å²	69.3	37%	0.371	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-129.9	173.7	0	0	0	0	0	112.5
78	F	77	Confident	82.7	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.022	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-100.7	72.2	177.7	-64.3	-91	0	0	0	108.8	L50 K52 I55 V57 L62 G80 F81 P83 I86	L50-F78 HydrophobicContact CB-CD1 3.45Å; L50-F78 VanDerWaalsContact CB-CD1 3.45Å; L50-F78 HydrophobicContact CB-CE1 3.72Å; L50-F78 HydrophobicContact CD1-CB 4.22Å; L50-F78 HydrophobicContact CD1-CD1 3.9Å; L50-F78 HydrophobicContact CG-CD1 4.32Å; K52-F78 HydrophobicContact CB-CE1 4.2Å; K52-F78 HydrophobicContact CB-CE2 4.25Å; K52-F78 HydrophobicContact CB-CZ 3.68Å; I55-F78 HydrophobicContact CB-CE2 4.18Å; I55-F78 HydrophobicContact CB-CZ 3.83Å; I55-F78 HydrophobicContact CG2-CE1 4.48Å; I55-F78 HydrophobicContact CG2-CE2 4.08Å; I55-F78 HydrophobicContact CG2-CZ 3.78Å; V57-F78 HydrophobicContact CG2-CD1 3.57Å; V57-F78 HydrophobicContact CG2-CE1 3.64Å; V57-F78 HydrophobicContact CG2-CG 4.29Å; V57-F78 HydrophobicContact CG2-CZ 4.39Å; L62-F78 HydrophobicContact CD1-CB 3.81Å; L62-F78 HydrophobicContact CD1-CG 4.48Å; F78-G80 PolarHBondContact O-N 3.42Å; F78-F81 HydrophobicContact CB-CB 4.17Å; F78-F81 PolarHBondContact N-O 3.14Å; F78-F81 WeakPolarHBondContact O-CB 2.89Å; F78-F81 VanDerWaalsContact O-CD2 3.22Å; F78-F81 WeakPolarHBondContact O-CD2 3.49Å; F78-F81 PolarHBondContact O-N 2.88Å; F78-P83 HydrophobicContact CE2-CG 4.42Å; F78-I86 HydrophobicContact CB-CD1 4.17Å; F78-I86 HydrophobicContact CD2-CD1 3.47Å; F78-I86 VanDerWaalsContact CD2-CD1 3.47Å; F78-I86 HydrophobicContact CE2-CD1 4.02Å; F78-I86 HydrophobicContact CG-CD1 3.89Å
79	H	81.8	Confident	82.8	Confident	77 Å²	77	68 Å²	68	36%	0.356	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	45	-174.4	-58.6	-85	0	0	0	114.3	Y59 Q70 F81	Y59-H79 AromaticContact CD2-CD2 3.88Å; Y59-H79 HydrophobicContact CE2-CB 4.18Å; Y59-H79 AromaticContact CE2-CD2 3.97Å; Q70-H79 PolarHBondContact NE2-O 3.19Å; H79-F81 VanDerWaalsContact C-N 3.33Å; H79-F81 PolarHBondContact O-N 3.05Å
80	G	85.7	Confident	83.1	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-0.7	-178	0	0	0	0	0	115.3	R71 G72 Q73 R76 F78	R71-G80 PolarHBondContact N-O 3.23Å; G72-G80 VanDerWaalsContact CA-O 3.3Å; G72-G80 WeakPolarHBondContact CA-O 3.11Å; G72-G80 PolarHBondContact N-O 2.95Å; G72-G80 WeakPolarHBondContact O-CA 3.28Å; Q73-G80 VanDerWaalsContact O-CA 3.32Å; Q73-G80 WeakPolarHBondContact O-CA 3.42Å; Q73-G80 PolarHBondContact O-N 2.98Å; R76-G80 PolarHBondContact O-N 2.78Å; F78-G80 PolarHBondContact O-N 3.42Å
81	F	90	Very high	83.4	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.026	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-83.5	124.8	166.1	-65.3	-77.1	0	0	0	111	L62 I63 L68 Q70 F78 H79 I86	L62-F81 HydrophobicContact CB-CD2 3.93Å; L62-F81 HydrophobicContact CB-CE2 3.97Å; L62-F81 HydrophobicContact CB-CG 4.39Å; L62-F81 HydrophobicContact CB-CZ 4.41Å; L62-F81 HydrophobicContact CD1-CD2 4.08Å; L62-F81 HydrophobicContact CD2-CB 4.45Å; L62-F81 HydrophobicContact CD2-CG 4.47Å; L62-F81 HydrophobicContact CG-CD2 4.47Å; I63-F81 HydrophobicContact CG2-CE2 3.78Å; I63-F81 HydrophobicContact CG2-CZ 4.02Å; L68-F81 HydrophobicContact CB-CE1 4.49Å; L68-F81 HydrophobicContact CD1-CD1 4.44Å; L68-F81 HydrophobicContact CD2-CD1 3.56Å; L68-F81 HydrophobicContact CD2-CE1 3.84Å; L68-F81 HydrophobicContact CD2-CG 4.19Å; L68-F81 HydrophobicContact CG-CD1 3.59Å; L68-F81 HydrophobicContact CG-CE1 3.83Å; Q70-F81 HydrophobicContact CB-CD1 4.11Å; Q70-F81 HydrophobicContact CB-CE1 3.65Å; Q70-F81 HydrophobicContact CB-CE2 4.47Å; Q70-F81 HydrophobicContact CB-CZ 3.84Å; Q70-F81 HydrophobicContact CG-CD1 4.37Å; Q70-F81 HydrophobicContact CG-CD2 4.42Å; Q70-F81 HydrophobicContact CG-CE1 4.14Å; Q70-F81 HydrophobicContact CG-CE2 4.14Å; Q70-F81 HydrophobicContact CG-CZ 4.01Å; F78-F81 HydrophobicContact CB-CB 4.17Å; F78-F81 PolarHBondContact N-O 3.14Å; F78-F81 WeakPolarHBondContact O-CB 2.89Å; F78-F81 VanDerWaalsContact O-CD2 3.22Å; F78-F81 WeakPolarHBondContact O-CD2 3.49Å; F78-F81 PolarHBondContact O-N 2.88Å; H79-F81 VanDerWaalsContact C-N 3.33Å; H79-F81 PolarHBondContact O-N 3.05Å; F81-I86 HydrophobicContact CB-CD1 4.12Å; F81-I86 HydrophobicContact CB-CG1 4.3Å
82	L	90.6	Very high	83.9	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.314	30%	0.303	S	S	.	.			trans	-80.9	135.3	-178.8	-61.2	179.1	0	0	0	111	E84 D85 I86	L82-E84 PolarHBondContact O-N 3.32Å; L82-E84 VanDerWaalsContact O-N 3.13Å; L82-D85 HydrophobicContact CB-CB 4.48Å; L82-D85 PolarHBondContact O-N 2.87Å; L82-I86 WeakPolarHBondContact O-CG1 3.48Å; L82-I86 PolarHBondContact O-N 3.33Å
83	P	91	Very high	84.8	Confident	30 Å²	30	56.7 Å²	56.7	20%	0.195	29%	0.293	C	S	.	.	H	α-helix	trans	-48.9	-38.7	176.8	-32.2	38.6	0	0	0	114.7	I55 F78 I86 K87	I55-P83 HydrophobicContact CD1-CB 3.62Å; F78-P83 HydrophobicContact CE2-CG 4.42Å; P83-I86 PolarHBondContact O-N 2.83Å; P83-K87 VanDerWaalsContact O-CG 3.32Å; P83-K87 WeakPolarHBondContact O-CG 3.22Å; P83-K87 PolarHBondContact O-N 3.45Å
84	E	91.3	Very high	85.8	Confident	105 Å²	105	54 Å²	54	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-67.3	-38.9	-179.2	-62.4	67.2	-142.9	0	0	111.7	L82 K87 K88	L82-E84 PolarHBondContact O-N 3.32Å; L82-E84 VanDerWaalsContact O-N 3.13Å; E84-K87 PolarHBondContact O-N 3.42Å; E84-K88 WeakPolarHBondContact O-CG 3.17Å; E84-K88 PolarHBondContact O-N 3.16Å
85	D	93	Very high	87.3	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-73.8	-36.4	179	-68.8	-24	0	0	0	110.7	L68 P69 R71 L82 K87 K88 E89	L68-D85 VanDerWaalsContact CD1-C 3.45Å; L68-D85 HydrophobicContact CD1-CB 3.91Å; L68-D85 WeakPolarHBondContact CD1-O 3.36Å; P69-D85 HydrophobicContact CG-CB 4.49Å; R71-D85 IonicContact CZ-OD2 3.51Å; R71-D85 IonicContact NE-OD2 3.46Å; R71-D85 PolarHBondContact NE-OD2 2.5Å; R71-D85 VanDerWaalsContact NH2-CG 3.3Å; R71-D85 IonicContact NH2-OD1 3.1Å; R71-D85 PolarHBondContact NH2-OD1 3.31Å; R71-D85 VanDerWaalsContact NH2-OD1 3.1Å; R71-D85 IonicContact NH2-OD2 2.73Å; R71-D85 PolarHBondContact NH2-OD2 2.96Å; L82-D85 HydrophobicContact CB-CB 4.48Å; L82-D85 PolarHBondContact O-N 2.87Å; D85-K87 VanDerWaalsContact C-N 3.34Å; D85-K87 PolarHBondContact O-N 3.42Å; D85-K88 PolarHBondContact O-N 3.44Å; D85-K88 IonicContact OD1-NZ 3.53Å; D85-E89 VanDerWaalsContact O-CB 3.27Å; D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 3.37Å
86	I	93.9	Very high	89	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-45.3	171.9	-62.8	168.8	0	0	0	110.5	I55 V57 L62 L68 F78 F81 L82 P83 E89 A90	I55-I86 HydrophobicContact CG2-CG2 4.07Å; V57-I86 HydrophobicContact CG1-CG2 3.94Å; L62-I86 HydrophobicContact CD2-CD1 3.75Å; L62-I86 HydrophobicContact CD2-CG1 3.73Å; L62-I86 HydrophobicContact CD2-CG2 4.46Å; L68-I86 HydrophobicContact CD1-CG1 4.28Å; L68-I86 HydrophobicContact CD2-CG1 4.35Å; F78-I86 HydrophobicContact CB-CD1 4.17Å; F78-I86 HydrophobicContact CD2-CD1 3.47Å; F78-I86 VanDerWaalsContact CD2-CD1 3.47Å; F78-I86 HydrophobicContact CE2-CD1 4.02Å; F78-I86 HydrophobicContact CG-CD1 3.89Å; F81-I86 HydrophobicContact CB-CD1 4.12Å; F81-I86 HydrophobicContact CB-CG1 4.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.48Å; L82-I86 PolarHBondContact O-N 3.33Å; P83-I86 PolarHBondContact O-N 2.83Å; I86-E89 PolarHBondContact O-N 3.38Å; I86-A90 WeakPolarHBondContact O-CB 3.14Å; I86-A90 PolarHBondContact O-N 2.92Å
87	K	93.5	Very high	90.8	Very high	104 Å²	104	52.2 Å²	52.2	45%	0.452	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-45.7	176.7	-72.7	172.5	-178.1	170.3	0	112.1	W34 I55 P83 E84 D85 E89 A90 A91	W34-K87 HydrophobicContact CH2-CG 4.42Å; W34-K87 HydrophobicContact CZ3-CG 3.82Å; I55-K87 HydrophobicContact CD1-CG 4.34Å; P83-K87 VanDerWaalsContact O-CG 3.32Å; P83-K87 WeakPolarHBondContact O-CG 3.22Å; P83-K87 PolarHBondContact O-N 3.45Å; E84-K87 PolarHBondContact O-N 3.42Å; D85-K87 VanDerWaalsContact C-N 3.34Å; D85-K87 PolarHBondContact O-N 3.42Å; K87-E89 VanDerWaalsContact C-N 3.29Å; K87-E89 PolarHBondContact O-N 3.24Å; K87-A90 PolarHBondContact O-N 2.8Å; K87-A91 WeakPolarHBondContact O-CB 3.35Å; K87-A91 PolarHBondContact O-N 2.85Å
88	K	94.8	Very high	92.4	Very high	136 Å²	136	50.5 Å²	50.5	59%	0.591	25%	0.246	S	C	*	.	H	α-helix	trans	-60.6	-41.7	176.5	-73.4	170.7	-169.9	164.9	0	111.4	E84 D85 A91 R92	E84-K88 WeakPolarHBondContact O-CG 3.17Å; E84-K88 PolarHBondContact O-N 3.16Å; D85-K88 PolarHBondContact O-N 3.44Å; D85-K88 IonicContact OD1-NZ 3.53Å; K88-A91 PolarHBondContact O-N 3.03Å; K88-R92 PolarHBondContact O-N 3.1Å
89	E	95.8	Very high	93.4	Very high	4 Å²	4	52 Å²	52	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-68.4	-43.2	179.6	178.3	53	-149.6	0	0	112.1	L35 S65 K67 L68 D85 I86 K87 A91 R92 A93	L35-E89 HydrophobicContact CD2-CG 4.08Å; S65-E89 WeakPolarHBondContact OG-CG 3.41Å; S65-E89 PolarHBondContact OG-OE1 3.13Å; K67-E89 WeakPolarHBondContact CB-OE2 3.44Å; L68-E89 HydrophobicContact CB-CB 4.45Å; L68-E89 HydrophobicContact CB-CG 4.09Å; L68-E89 HydrophobicContact CD1-CB 3.83Å; L68-E89 HydrophobicContact CD1-CG 4.33Å; D85-E89 VanDerWaalsContact O-CB 3.27Å; D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 3.37Å; I86-E89 PolarHBondContact O-N 3.38Å; K87-E89 VanDerWaalsContact C-N 3.29Å; K87-E89 PolarHBondContact O-N 3.24Å; E89-A91 VanDerWaalsContact C-N 3.3Å; E89-A91 PolarHBondContact O-N 3.39Å; E89-R92 VanDerWaalsContact CD-NE 3.27Å; E89-R92 WeakPolarHBondContact O-CB 3.49Å; E89-R92 PolarHBondContact O-N 3.46Å; E89-R92 VanDerWaalsContact O-N 3.13Å; E89-R92 IonicContact OE1-CZ 3.15Å; E89-R92 IonicContact OE1-NE 2.92Å; E89-R92 PolarHBondContact OE1-NE 2.94Å; E89-R92 IonicContact OE1-NH2 3.43Å; E89-R92 PolarHBondContact OE1-NH2 2.74Å; E89-R92 WeakPolarHBondContact OE2-CD 3.37Å; E89-R92 IonicContact OE2-CZ 3.78Å; E89-R92 IonicContact OE2-NE 2.83Å; E89-R92 PolarHBondContact OE2-NE 3.19Å; E89-R92 IonicContact OE2-NH2 3.48Å; E89-A93 WeakPolarHBondContact O-CB 3.3Å; E89-A93 PolarHBondContact O-N 3.22Å
90	A	94.4	Very high	94.2	Very high	15 Å²	15	50.6 Å²	50.6	12%	0.124	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-42.2	172.6	0	0	0	0	0	111.5	W34 L35 I86 K87 R92 A93 S94	W34-A90 HydrophobicContact CE3-CB 4.17Å; L35-A90 HydrophobicContact CD2-CB 4.2Å; I86-A90 WeakPolarHBondContact O-CB 3.14Å; I86-A90 PolarHBondContact O-N 2.92Å; K87-A90 PolarHBondContact O-N 2.8Å; A90-R92 PolarHBondContact O-N 2.83Å; A90-A93 PolarHBondContact O-N 3.44Å; A90-S94 WeakPolarHBondContact O-CB 3.49Å; A90-S94 PolarHBondContact O-N 2.85Å
91	A	95.5	Very high	94.7	Very high	51 Å²	51	52.8 Å²	52.8	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-40.2	174.2	0	0	0	0	0	112.3	K87 K88 E89 S94	K87-A91 WeakPolarHBondContact O-CB 3.35Å; K87-A91 PolarHBondContact O-N 2.85Å; K88-A91 PolarHBondContact O-N 3.03Å; E89-A91 VanDerWaalsContact C-N 3.3Å; E89-A91 PolarHBondContact O-N 3.39Å; A91-S94 PolarHBondContact O-N 3.44Å; A91-S94 PolarHBondContact O-OG 3.27Å
92	R	95.9	Very high	95	Very high	38 Å²	38	59.6 Å²	59.6	14%	0.143	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-50.1	173.3	-175.2	-158.8	72	86.5	2.1	111.3	K88 E89 A90 S94 R95 A107	K88-R92 PolarHBondContact O-N 3.1Å; E89-R92 VanDerWaalsContact CD-NE 3.27Å; E89-R92 WeakPolarHBondContact O-CB 3.49Å; E89-R92 PolarHBondContact O-N 3.46Å; E89-R92 VanDerWaalsContact O-N 3.13Å; E89-R92 IonicContact OE1-CZ 3.15Å; E89-R92 IonicContact OE1-NE 2.92Å; E89-R92 PolarHBondContact OE1-NE 2.94Å; E89-R92 IonicContact OE1-NH2 3.43Å; E89-R92 PolarHBondContact OE1-NH2 2.74Å; E89-R92 WeakPolarHBondContact OE2-CD 3.37Å; E89-R92 IonicContact OE2-CZ 3.78Å; E89-R92 IonicContact OE2-NE 2.83Å; E89-R92 PolarHBondContact OE2-NE 3.19Å; E89-R92 IonicContact OE2-NH2 3.48Å; A90-R92 PolarHBondContact O-N 2.83Å; R92-S94 VanDerWaalsContact C-N 3.26Å; R92-S94 PolarHBondContact O-N 3.43Å; R92-R95 PolarHBondContact O-N 3.07Å; R92-A107 PolarHBondContact NH2-O 2.95Å
93	A	95.4	Very high	95.3	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-33.9	-179.4	0	0	0	0	0	112	E89 A90 R95 K96 G105 A106 A107	E89-A93 WeakPolarHBondContact O-CB 3.3Å; E89-A93 PolarHBondContact O-N 3.22Å; A90-A93 PolarHBondContact O-N 3.44Å; A93-R95 PolarHBondContact O-N 3.07Å; A93-K96 WeakPolarHBondContact O-CB 3.13Å; A93-K96 PolarHBondContact O-N 2.91Å; A93-G105 CarbonylContact O-C 3.59Å; A93-G105 WeakPolarHBondContact O-CA 3.42Å; A93-G105 PolarHBondContact O-N 3.13Å; A93-G105 VanDerWaalsContact O-N 3.1Å; A93-A106 PolarHBondContact O-N 3.01Å; A93-A107 HydrophobicContact CB-CB 3.78Å
94	S	94.9	Very high	95.5	Very high	59 Å²	59	69.3 Å²	69.3	41%	0.413	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.8	176.6	81.2	0	0	0	0	114	A90 A91 R92 K104	A90-S94 WeakPolarHBondContact O-CB 3.49Å; A90-S94 PolarHBondContact O-N 2.85Å; A91-S94 PolarHBondContact O-N 3.44Å; A91-S94 PolarHBondContact O-OG 3.27Å; R92-S94 VanDerWaalsContact C-N 3.26Å; R92-S94 PolarHBondContact O-N 3.43Å; S94-K104 WeakPolarHBondContact O-CB 3.41Å; S94-K104 WeakPolarHBondContact O-CD 3.48Å
95	R	95.1	Very high	95.6	Very high	180 Å²	180	64.7 Å²	64.7	68%	0.679	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-9.2	177	-60	-179.8	-67.6	-132.6	2.8	113.3	R92 A93	R92-R95 PolarHBondContact O-N 3.07Å; A93-R95 PolarHBondContact O-N 3.07Å
96	K	96.6	Very high	95.7	Very high	82 Å²	82	64.3 Å²	64.3	36%	0.357	31%	0.309	S	S	.	.	S	Bend	trans	-98.9	135.8	-177.1	-59.7	-59.6	-175.9	178.4	0	110.5	A93 K104 G105 A106 N118	A93-K96 WeakPolarHBondContact O-CB 3.13Å; A93-K96 PolarHBondContact O-N 2.91Å; K96-K104 CarbonylContact O-C 3.38Å; K96-K104 VanDerWaalsContact O-CA 3.28Å; K96-K104 WeakPolarHBondContact O-CA 3.19Å; K96-G105 PolarHBondContact O-N 3.03Å; K96-A106 HydrophobicContact CB-CB 4.35Å; K96-A106 VanDerWaalsContact CB-O 3.32Å; K96-A106 WeakPolarHBondContact CB-O 3.36Å; K96-A106 PolarHBondContact O-N 2.91Å; K96-N118 HydrophobicContact CB-CB 4.27Å
97	I	97.3	Very high	95.8	Very high	98 Å²	98	64.5 Å²	64.5	50%	0.503	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-97.7	129.1	-178.3	-61.1	174.1	0	0	0	109.1	F99 K102 K104	I97-F99 PolarHBondContact O-N 3.23Å; I97-K102 WeakPolarHBondContact CG2-O 3.2Å; I97-K104 HydrophobicContact CG1-CG 4.36Å
98	C	97.7	Very high	96	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-67.3	124.4	172.7	-178.9	0	0	0	0	110.2	V100 C101 K102 K103 A106 N118 H120	C98-V100 PolarHBondContact O-N 3.04Å; C98-C101 WeakPolarHBondContact CB-SG 3.47Å; C98-C101 VanDerWaalsContact SG-SG 3.61Å; C98-K102 WeakPolarHBondContact O-CA 3.2Å; C98-K102 PolarHBondContact O-N 3.08Å; C98-K103 WeakPolarHBondContact CB-O 3.2Å; C98-K103 PolarHBondContact N-O 2.98Å; C98-A106 HydrophobicContact CB-CB 3.96Å; C98-N118 CarbonylContact C-O 3.41Å; C98-N118 VanDerWaalsContact CA-O 3.29Å; C98-N118 WeakPolarHBondContact CA-O 3.33Å; C98-H120 WeakPolarHBondContact CB-ND1 3.32Å
99	F	97.9	Very high	96.1	Very high	35 Å²	35	55.1 Å²	55.1	15%	0.154	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.4	-178.8	84.2	-90	0	0	0	113	I97 K102 R117 N118 F119 K127 C141	I97-F99 PolarHBondContact O-N 3.23Å; F99-K102 WeakPolarHBondContact O-CE 3.42Å; F99-K102 PolarHBondContact O-NZ 3.11Å; F99-R117 HydrophobicContact CB-CG 4.43Å; F99-R117 HydrophobicContact CD1-CB 4Å; F99-R117 HydrophobicContact CD1-CG 4.45Å; F99-R117 HydrophobicContact CG-CB 4.34Å; F99-R117 HydrophobicContact CG-CG 4.32Å; F99-N118 WeakPolarHBondContact CD1-O 3.29Å; F99-N118 PolarHBondContact N-O 3.35Å; F99-F119 HydrophobicContact CD1-CB 3.9Å; F99-F119 HydrophobicContact CD1-CD1 4.07Å; F99-F119 HydrophobicContact CD1-CG 4.42Å; F99-F119 HydrophobicContact CE1-CB 3.78Å; F99-F119 AromaticContact CE1-CD1 3.64Å; F99-F119 HydrophobicContact CE1-CD1 3.64Å; F99-F119 AromaticContact CE1-CG 3.98Å; F99-F119 HydrophobicContact CE1-CG 3.98Å; F99-K127 HydrophobicContact CE2-CG 3.97Å; F99-K127 HydrophobicContact CZ-CG 3.98Å; F99-C141 HydrophobicContact CE1-CB 4.29Å; F99-C141 HydrophobicContact CZ-CB 4.29Å
100	V	97.3	Very high	96.2	Very high	48 Å²	48	55 Å²	55	29%	0.291	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-66.7	179.2	-174.1	0	0	0	0	110.4	C98 C123 K127	C98-V100 PolarHBondContact O-N 3.04Å; V100-C123 HydrophobicContact CB-CB 3.92Å; V100-C123 HydrophobicContact CG1-CB 4.15Å; V100-C123 HydrophobicContact CG2-CB 4.24Å; V100-K127 HydrophobicContact CG1-CB 4.22Å; V100-K127 HydrophobicContact CG2-CB 3.73Å; V100-K127 HydrophobicContact CG2-CG 3.92Å
101	C	96.6	Very high	96.3	Very high	46 Å²	46	57.8 Å²	57.8	31%	0.311	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.6	-174.2	74.8	0	0	0	0	114.5	C98 K103	C98-C101 WeakPolarHBondContact CB-SG 3.47Å; C98-C101 VanDerWaalsContact SG-SG 3.61Å; C101-K103 PolarHBondContact O-N 3.05Å
102	K	96.9	Very high	96.4	Very high	149 Å²	149	60.7 Å²	60.7	65%	0.648	29%	0.286	S	S	*	.			trans	61.7	8.3	-178.5	-48.2	-54.9	-173.9	-174.4	0	115.7	I97 C98 F99	I97-K102 WeakPolarHBondContact CG2-O 3.2Å; C98-K102 WeakPolarHBondContact O-CA 3.2Å; C98-K102 PolarHBondContact O-N 3.08Å; F99-K102 WeakPolarHBondContact O-CE 3.42Å; F99-K102 PolarHBondContact O-NZ 3.11Å
103	K	95.6	Very high	96.4	Very high	151 Å²	151	65.2 Å²	65.2	66%	0.657	31%	0.312	S	S	*	.			trans	-88.1	157.1	175.2	-60.5	179.5	-177.7	177.3	0	111.6	C98 C101	C98-K103 WeakPolarHBondContact CB-O 3.2Å; C98-K103 PolarHBondContact N-O 2.98Å; C101-K103 PolarHBondContact O-N 3.05Å
104	K	95.1	Very high	96.4	Very high	143 Å²	143	74.5 Å²	74.5	62%	0.622	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-70.3	166.4	172.9	-75.9	177.4	177.1	-177.8	0	111.8	S94 K96 I97 H120	S94-K104 WeakPolarHBondContact O-CB 3.41Å; S94-K104 WeakPolarHBondContact O-CD 3.48Å; K96-K104 CarbonylContact O-C 3.38Å; K96-K104 VanDerWaalsContact O-CA 3.28Å; K96-K104 WeakPolarHBondContact O-CA 3.19Å; I97-K104 HydrophobicContact CG1-CG 4.36Å; K104-H120 PolarHBondContact O-NE2 3.37Å
105	G	93.7	Very high	96.5	Very high	9 Å²	9	72.7 Å²	72.7	9%	0.093	34%	0.343	C	S	.	.			trans	98.6	12.5	176	0	0	0	0	0	114.7	A93 K96 A107 H120	A93-G105 CarbonylContact O-C 3.59Å; A93-G105 WeakPolarHBondContact O-CA 3.42Å; A93-G105 PolarHBondContact O-N 3.13Å; A93-G105 VanDerWaalsContact O-N 3.1Å; K96-G105 PolarHBondContact O-N 3.03Å; G105-A107 PolarHBondContact O-N 3Å; G105-A107 VanDerWaalsContact O-N 3.13Å; G105-H120 VanDerWaalsContact C-NE2 3.28Å; G105-H120 PolarHBondContact O-CD2 2.99Å; G105-H120 PolarHBondContact O-NE2 3.45Å
106	A	95.7	Very high	96.6	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.348	C	S	.	.			trans	-77.4	99.2	-177	0	0	0	0	0	111.8	A93 K96 C98 N118	A93-A106 PolarHBondContact O-N 3.01Å; K96-A106 HydrophobicContact CB-CB 4.35Å; K96-A106 VanDerWaalsContact CB-O 3.32Å; K96-A106 WeakPolarHBondContact CB-O 3.36Å; K96-A106 PolarHBondContact O-N 2.91Å; C98-A106 HydrophobicContact CB-CB 3.96Å; A106-N118 HydrophobicContact CB-CB 3.77Å
107	A	95.9	Very high	96.6	Very high	4 Å²	4	70.5 Å²	70.5	3%	0.033	34%	0.342	C	S	.	.			trans	-76.2	-24.8	-177.2	0	0	0	0	0	114.1	L35 S66 R92 A93 G105	L35-A107 HydrophobicContact CB-CB 4.35Å; L35-A107 HydrophobicContact CD2-CB 4.21Å; S66-A107 PolarHBondContact N-O 2.98Å; S66-A107 PolarHBondContact OG-O 3.1Å; R92-A107 PolarHBondContact NH2-O 2.95Å; A93-A107 HydrophobicContact CB-CB 3.78Å; G105-A107 PolarHBondContact O-N 3Å; G105-A107 VanDerWaalsContact O-N 3.13Å
108	I	97.4	Very high	96.7	Very high	3 Å²	3	67 Å²	67	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.7	-174.9	-52.9	-179.7	0	0	0	109.8	L64 N118 F119 L121 S139	L64-I108 HydrophobicContact CB-CD1 3.77Å; L64-I108 HydrophobicContact CB-CG1 4.35Å; L64-I108 HydrophobicContact CD1-CD1 4.39Å; I108-N118 CarbonylContact O-C 3.57Å; I108-N118 WeakPolarHBondContact O-CA 3.43Å; I108-F119 HydrophobicContact CB-CD2 4.18Å; I108-F119 HydrophobicContact CB-CE2 4.05Å; I108-F119 HydrophobicContact CB-CZ 4.42Å; I108-F119 WeakPolarHBondContact CB-O 3.42Å; I108-F119 HydrophobicContact CG2-CD2 4.23Å; I108-F119 HydrophobicContact CG2-CE1 4.26Å; I108-F119 HydrophobicContact CG2-CE2 3.6Å; I108-F119 HydrophobicContact CG2-CZ 3.64Å; I108-F119 PolarHBondContact N-O 3.37Å; I108-F119 PolarHBondContact O-N 2.85Å; I108-L121 HydrophobicContact CD1-CB 3.7Å; I108-L121 HydrophobicContact CD1-CD1 4.08Å; I108-L121 HydrophobicContact CD1-CG 4.45Å; I108-S139 WeakPolarHBondContact CG2-OG 3.31Å
109	N	96.9	Very high	96.7	Very high	40 Å²	40	67 Å²	67	21%	0.214	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	156.3	171.1	79.9	-21.4	0	0	0	112.1	S66 Q111 R117 N118	S66-N109 WeakPolarHBondContact CB-OD1 3.43Å; S66-N109 PolarHBondContact OG-N 2.87Å; S66-N109 PolarHBondContact OG-OD1 2.79Å; N109-Q111 PolarHBondContact OD1-NE2 3.15Å; N109-R117 WeakPolarHBondContact CA-O 3.47Å; N109-N118 WeakPolarHBondContact CB-OD1 3.42Å
110	C	98.3	Very high	96.6	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.02	32%	0.319	C	S	.	.			trans	-69.4	132.1	168.1	-173.5	0	0	0	0	109.9	K112 C115 R117 S139 C141 H144	C110-K112 VanDerWaalsContact C-N 3.33Å; C110-C115 HydrophobicContact CB-CB 3.97Å; C110-C115 VanDerWaalsContact CB-SG 3.58Å; C110-R117 HydrophobicContact CB-CB 4.48Å; C110-R117 PolarHBondContact N-O 3.25Å; C110-S139 CarbonylContact C-O 3.52Å; C110-S139 WeakPolarHBondContact CA-O 3.43Å; C110-C141 HydrophobicContact CB-CB 4.19Å; C110-C141 PolarHBondContact SG-N 3.21Å; C110-H144 PolarHBondContact SG-ND1 3.43Å
111	Q	97.2	Very high	96.6	Very high	73 Å²	73	63.7 Å²	63.7	34%	0.341	31%	0.306	S	S	.	.			trans	-83.9	-1	-179.9	-75	-67.8	-49	0	0	114.5	N109 D113 K138 S139 F140	N109-Q111 PolarHBondContact OD1-NE2 3.15Å; Q111-D113 PolarHBondContact O-N 2.99Å; Q111-K138 HydrophobicContact CB-CB 4.25Å; Q111-K138 HydrophobicContact CB-CG 4.46Å; Q111-K138 HydrophobicContact CG-CB 3.94Å; Q111-K138 HydrophobicContact CG-CG 4.08Å; Q111-S139 PolarHBondContact N-O 3.03Å; Q111-F140 HydrophobicContact CB-CD1 4.49Å; Q111-F140 HydrophobicContact CB-CE1 4.03Å; Q111-F140 HydrophobicContact CB-CZ 4.34Å
112	K	97.3	Very high	96.5	Very high	112 Å²	112	62.5 Å²	62.5	49%	0.487	30%	0.298	S	S	.	.	S	Bend	trans	-69.9	132.4	172.7	179.8	63	175.8	177	0	109.4	C110 Q114 C115 H144	C110-K112 VanDerWaalsContact C-N 3.33Å; K112-Q114 PolarHBondContact O-N 3.41Å; K112-C115 HydrophobicContact CB-CB 4.13Å; K112-C115 WeakPolarHBondContact O-CB 3.05Å; K112-C115 PolarHBondContact O-N 2.84Å; K112-H144 HydrophobicContact CB-CB 3.8Å; K112-H144 WeakPolarHBondContact CB-ND1 3.36Å; K112-H144 HydrophobicContact CG-CB 4.22Å
113	D	95.3	Very high	96.5	Very high	132 Å²	132	56.2 Å²	56.2	71%	0.706	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	137.2	176.8	-60.3	-27.9	0	0	0	111.9	Q111 C115	Q111-D113 PolarHBondContact O-N 2.99Å; D113-C115 PolarHBondContact O-N 3.26Å
114	Q	95.1	Very high	96.5	Very high	198 Å²	198	49.1 Å²	49.1	93%	0.925	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	0.5	-179.1	-51.3	175.1	-7.4	0	0	115.2	K112 I116	K112-Q114 PolarHBondContact O-N 3.41Å; Q114-I116 PolarHBondContact O-N 2.82Å
115	C	97.8	Very high	96.4	Very high	21 Å²	21	45.9 Å²	45.9	14%	0.142	23%	0.229	C	C	.	.			trans	-76.7	119.3	174.4	-166.3	0	0	0	0	111.1	C110 K112 D113 H144	C110-C115 HydrophobicContact CB-CB 3.97Å; C110-C115 VanDerWaalsContact CB-SG 3.58Å; K112-C115 HydrophobicContact CB-CB 4.13Å; K112-C115 WeakPolarHBondContact O-CB 3.05Å; K112-C115 PolarHBondContact O-N 2.84Å; D113-C115 PolarHBondContact O-N 3.26Å; C115-H144 VanDerWaalsContact SG-CE1 3.5Å; C115-H144 PolarHBondContact SG-ND1 3.48Å; C115-H144 VanDerWaalsContact SG-ND1 3.39Å
116	I	96.3	Very high	96.4	Very high	154 Å²	154	53.1 Å²	53.1	79%	0.79	26%	0.261	S	S	*	.			trans	-93.2	6.2	-179.7	63.6	167.6	0	0	0	113.9	Q114 N118	Q114-I116 PolarHBondContact O-N 2.82Å; I116-N118 PolarHBondContact O-N 2.99Å; I116-N118 PolarHBondContact O-ND2 3.07Å
117	R	98	Very high	96.3	Very high	62 Å²	62	58.1 Å²	58.1	23%	0.234	28%	0.282	C	S	.	.			trans	-74.1	126.6	-174.9	-70.9	176.6	171.6	-164.6	-13.1	110.5	F99 N109 C110 C141 D142	F99-R117 HydrophobicContact CB-CG 4.43Å; F99-R117 HydrophobicContact CD1-CB 4Å; F99-R117 HydrophobicContact CD1-CG 4.45Å; F99-R117 HydrophobicContact CG-CB 4.34Å; F99-R117 HydrophobicContact CG-CG 4.32Å; N109-R117 WeakPolarHBondContact CA-O 3.47Å; C110-R117 HydrophobicContact CB-CB 4.48Å; C110-R117 PolarHBondContact N-O 3.25Å; R117-C141 HydrophobicContact CB-CB 4.33Å; R117-C141 PolarHBondContact NH1-SG 2.79Å; R117-D142 IonicContact CZ-OD1 2.69Å; R117-D142 IonicContact NH1-OD1 3.63Å; R117-D142 PolarHBondContact NH1-OD1 2.65Å
118	N	97.9	Very high	96.2	Very high	23 Å²	23	58.8 Å²	58.8	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.4	172	-53.8	-96.6	0	0	0	108.9	K96 C98 F99 A106 I108 N109 I116	K96-N118 HydrophobicContact CB-CB 4.27Å; C98-N118 CarbonylContact C-O 3.41Å; C98-N118 VanDerWaalsContact CA-O 3.29Å; C98-N118 WeakPolarHBondContact CA-O 3.33Å; F99-N118 WeakPolarHBondContact CD1-O 3.29Å; F99-N118 PolarHBondContact N-O 3.35Å; A106-N118 HydrophobicContact CB-CB 3.77Å; I108-N118 CarbonylContact O-C 3.57Å; I108-N118 WeakPolarHBondContact O-CA 3.43Å; N109-N118 WeakPolarHBondContact CB-OD1 3.42Å; I116-N118 PolarHBondContact O-N 2.99Å; I116-N118 PolarHBondContact O-ND2 3.07Å
119	F	97.8	Very high	96.2	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.1	178.2	49.6	-84.8	0	0	0	111.7	F99 I108 C129	F99-F119 HydrophobicContact CD1-CB 3.9Å; F99-F119 HydrophobicContact CD1-CD1 4.07Å; F99-F119 HydrophobicContact CD1-CG 4.42Å; F99-F119 HydrophobicContact CE1-CB 3.78Å; F99-F119 AromaticContact CE1-CD1 3.64Å; F99-F119 HydrophobicContact CE1-CD1 3.64Å; F99-F119 AromaticContact CE1-CG 3.98Å; F99-F119 HydrophobicContact CE1-CG 3.98Å; I108-F119 HydrophobicContact CB-CD2 4.18Å; I108-F119 HydrophobicContact CB-CE2 4.05Å; I108-F119 HydrophobicContact CB-CZ 4.42Å; I108-F119 WeakPolarHBondContact CB-O 3.42Å; I108-F119 HydrophobicContact CG2-CD2 4.23Å; I108-F119 HydrophobicContact CG2-CE1 4.26Å; I108-F119 HydrophobicContact CG2-CE2 3.6Å; I108-F119 HydrophobicContact CG2-CZ 3.64Å; I108-F119 PolarHBondContact N-O 3.37Å; I108-F119 PolarHBondContact O-N 2.85Å; F119-C129 HydrophobicContact CD2-CB 4.48Å; F119-C129 HydrophobicContact CE1-CB 4.47Å; F119-C129 HydrophobicContact CE2-CB 3.98Å; F119-C129 HydrophobicContact CZ-CB 3.95Å
120	H	97.1	Very high	96.1	Very high	11 Å²	11	57.8 Å²	57.8	5%	0.051	29%	0.285	C	S	.	.			trans	-76.4	149.1	161.9	-53.1	107.6	0	0	0	108.7	C36 C98 K104 G105 C123 G124	C36-H120 HydrophobicContact CB-CB 4.31Å; C98-H120 WeakPolarHBondContact CB-ND1 3.32Å; K104-H120 PolarHBondContact O-NE2 3.37Å; G105-H120 VanDerWaalsContact C-NE2 3.28Å; G105-H120 PolarHBondContact O-CD2 2.99Å; G105-H120 PolarHBondContact O-NE2 3.45Å; H120-C123 HydrophobicContact CB-CB 4.21Å; H120-C123 PolarHBondContact O-N 2.77Å; H120-G124 PolarHBondContact O-N 3.19Å
121	L	96.2	Very high	96.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-52.3	-51.6	178.2	178.5	61	0	0	0	113.3	L46 F60 L64 I108 C123 G124 Q125	L46-L121 HydrophobicContact CD2-CD2 4.02Å; L46-L121 HydrophobicContact CD2-CG 4.2Å; F60-L121 HydrophobicContact CB-CD2 3.51Å; L64-L121 HydrophobicContact CD1-CD1 3.57Å; L64-L121 HydrophobicContact CD1-CD2 4.14Å; L64-L121 HydrophobicContact CD1-CG 4.47Å; I108-L121 HydrophobicContact CD1-CB 3.7Å; I108-L121 HydrophobicContact CD1-CD1 4.08Å; I108-L121 HydrophobicContact CD1-CG 4.45Å; L121-C123 PolarHBondContact O-N 3.26Å; L121-G124 PolarHBondContact O-N 3.26Å; L121-G124 VanDerWaalsContact O-N 3.15Å; L121-Q125 HydrophobicContact CD1-CG 4.24Å; L121-Q125 WeakPolarHBondContact O-CG 3.37Å; L121-Q125 PolarHBondContact O-N 2.78Å
122	P	95.6	Very high	96	Very high	21 Å²	21	55.5 Å²	55.5	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-44.7	-179.9	-17.5	28.3	0	0	0	112.2	C36 Q38 L46 G124 Q125 E126	C36-P122 HydrophobicContact CB-CG 4.3Å; Q38-P122 HydrophobicContact CG-CG 4.14Å; L46-P122 HydrophobicContact CD2-CB 4.42Å; L46-P122 HydrophobicContact CD2-CG 3.8Å; P122-G124 VanDerWaalsContact C-N 3.28Å; P122-G124 PolarHBondContact O-N 2.75Å; P122-Q125 PolarHBondContact O-N 3.33Å; P122-E126 WeakPolarHBondContact O-CG 3.2Å; P122-E126 PolarHBondContact O-N 3.07Å
123	C	96.3	Very high	95.9	Very high	18 Å²	18	51.3 Å²	51.3	12%	0.122	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-36.8	177.8	-62.8	0	0	0	0	112.4	V100 H120 L121 K127	V100-C123 HydrophobicContact CB-CB 3.92Å; V100-C123 HydrophobicContact CG1-CB 4.15Å; V100-C123 HydrophobicContact CG2-CB 4.24Å; H120-C123 HydrophobicContact CB-CB 4.21Å; H120-C123 PolarHBondContact O-N 2.77Å; L121-C123 PolarHBondContact O-N 3.26Å; C123-K127 VanDerWaalsContact O-CB 3.32Å; C123-K127 WeakPolarHBondContact O-CB 3.31Å; C123-K127 PolarHBondContact O-N 3.23Å
124	G	95.8	Very high	95.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-49.9	175.6	0	0	0	0	0	111.1	H120 L121 P122 E126 K127 G128 C129	H120-G124 PolarHBondContact O-N 3.19Å; L121-G124 PolarHBondContact O-N 3.26Å; L121-G124 VanDerWaalsContact O-N 3.15Å; P122-G124 VanDerWaalsContact C-N 3.28Å; P122-G124 PolarHBondContact O-N 2.75Å; G124-E126 PolarHBondContact O-N 3.18Å; G124-K127 CarbonylContact O-C 3.5Å; G124-K127 PolarHBondContact O-N 3.32Å; G124-K127 VanDerWaalsContact O-N 3.16Å; G124-G128 PolarHBondContact O-N 3.49Å; G124-G128 VanDerWaalsContact O-N 3.08Å; G124-C129 VanDerWaalsContact O-CB 3.24Å; G124-C129 WeakPolarHBondContact O-CB 3.43Å; G124-C129 PolarHBondContact O-N 3.04Å; G124-C129 PolarHBondContact O-SG 3.26Å
125	Q	93.3	Very high	95.6	Very high	76 Å²	76	42.1 Å²	42.1	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-57.5	-49.4	177.7	-71.5	171.9	-31.4	0	0	111.5	K45 L121 P122 K127 G128	K45-Q125 PolarHBondContact O-NE2 3.02Å; L121-Q125 HydrophobicContact CD1-CG 4.24Å; L121-Q125 WeakPolarHBondContact O-CG 3.37Å; L121-Q125 PolarHBondContact O-N 2.78Å; P122-Q125 PolarHBondContact O-N 3.33Å; Q125-K127 VanDerWaalsContact C-N 3.26Å; Q125-K127 PolarHBondContact O-N 2.79Å; Q125-G128 PolarHBondContact O-N 2.81Å
126	E	93.1	Very high	95.3	Very high	161 Å²	161	48.3 Å²	48.3	75%	0.752	25%	0.253	S	S	*	.	H	α-helix	trans	-59.9	-34.5	176.9	-71.6	172.9	179.1	0	0	113	P122 G124 G128	P122-E126 WeakPolarHBondContact O-CG 3.2Å; P122-E126 PolarHBondContact O-N 3.07Å; G124-E126 PolarHBondContact O-N 3.18Å; E126-G128 VanDerWaalsContact C-N 3.29Å
127	K	94.6	Very high	95.2	Very high	105 Å²	105	44.4 Å²	44.4	46%	0.457	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.2	178.9	-171.5	50.9	-171.9	146.4	0	113.3	F99 V100 C123 G124 Q125 D142	F99-K127 HydrophobicContact CE2-CG 3.97Å; F99-K127 HydrophobicContact CZ-CG 3.98Å; V100-K127 HydrophobicContact CG1-CB 4.22Å; V100-K127 HydrophobicContact CG2-CB 3.73Å; V100-K127 HydrophobicContact CG2-CG 3.92Å; C123-K127 VanDerWaalsContact O-CB 3.32Å; C123-K127 WeakPolarHBondContact O-CB 3.31Å; C123-K127 PolarHBondContact O-N 3.23Å; G124-K127 CarbonylContact O-C 3.5Å; G124-K127 PolarHBondContact O-N 3.32Å; G124-K127 VanDerWaalsContact O-N 3.16Å; Q125-K127 VanDerWaalsContact C-N 3.26Å; Q125-K127 PolarHBondContact O-N 2.79Å; K127-D142 WeakPolarHBondContact CE-OD2 3.36Å; K127-D142 IonicContact NZ-OD2 3.86Å
128	G	93.3	Very high	95.1	Very high	18 Å²	18	45 Å²	45	19%	0.186	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	23.4	-177.9	0	0	0	0	0	114.2	G124 Q125 E126 R145	G124-G128 PolarHBondContact O-N 3.49Å; G124-G128 VanDerWaalsContact O-N 3.08Å; Q125-G128 PolarHBondContact O-N 2.81Å; E126-G128 VanDerWaalsContact C-N 3.29Å; G128-R145 VanDerWaalsContact O-CD 3.22Å; G128-R145 WeakPolarHBondContact O-CD 3.5Å; G128-R145 PolarHBondContact O-NH1 3.03Å
129	C	96.1	Very high	95.2	Very high	13 Å²	13	44 Å²	44	9%	0.088	23%	0.229	C	C	.	.			trans	-66.8	154	165.8	-56.3	0	0	0	0	110	F119 G124 F140	F119-C129 HydrophobicContact CD2-CB 4.48Å; F119-C129 HydrophobicContact CE1-CB 4.47Å; F119-C129 HydrophobicContact CE2-CB 3.98Å; F119-C129 HydrophobicContact CZ-CB 3.95Å; G124-C129 VanDerWaalsContact O-CB 3.24Å; G124-C129 WeakPolarHBondContact O-CB 3.43Å; G124-C129 PolarHBondContact O-N 3.04Å; G124-C129 PolarHBondContact O-SG 3.26Å; C129-F140 CarbonylContact C-O 3.53Å; C129-F140 WeakPolarHBondContact CA-O 3.15Å; C129-F140 VanDerWaalsContact CB-O 3.26Å; C129-F140 WeakPolarHBondContact CB-O 3.26Å
130	L	96.5	Very high	95.2	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.7	-177.6	-172.8	153.1	0	0	0	109.7	Q132 S139 F140 R145 P146 M220	L130-Q132 HydrophobicContact CD2-CG 3.66Å; L130-S139 CarbonylContact O-C 3.47Å; L130-S139 WeakPolarHBondContact O-CA 3.42Å; L130-F140 HydrophobicContact CD2-CD2 4.34Å; L130-F140 PolarHBondContact N-O 3.01Å; L130-F140 PolarHBondContact O-N 3.01Å; L130-R145 HydrophobicContact CB-CB 3.65Å; L130-R145 HydrophobicContact CD1-CB 4.34Å; L130-P146 HydrophobicContact CD2-CG 4.32Å; L130-M220 HydrophobicContact CD1-CE 4.44Å; L130-M220 WeakPolarHBondContact CD1-O 3.49Å
131	S	97.1	Very high	95.2	Very high	13 Å²	13	44.9 Å²	44.9	9%	0.091	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.4	172.3	-61.6	0	0	0	0	109.3	S139 G221	S131-S139 WeakPolarHBondContact CB-OG 3.42Å; S131-S139 PolarHBondContact OG-OG 3.39Å; S131-G221 WeakPolarHBondContact O-CA 3.45Å
132	Q	96.5	Very high	95.1	Very high	15 Å²	15	47.1 Å²	47.1	7%	0.07	24%	0.244	C	C	.	.			trans	-96.1	133.8	-179.7	-69.3	-178.7	-33.7	0	0	109.3	L130 F134 Y137 K138 F140 R219	L130-Q132 HydrophobicContact CD2-CG 3.66Å; Q132-F134 HydrophobicContact CB-CD1 3.82Å; Q132-F134 HydrophobicContact CB-CE1 3.51Å; Q132-F134 HydrophobicContact CB-CZ 4.35Å; Q132-F134 VanDerWaalsContact CD-CE1 3.49Å; Q132-F134 HydrophobicContact CG-CD1 4.42Å; Q132-F134 HydrophobicContact CG-CE1 3.65Å; Q132-F134 HydrophobicContact CG-CZ 4.34Å; Q132-Y137 CarbonylContact O-C 3.59Å; Q132-Y137 VanDerWaalsContact O-CA 3.26Å; Q132-Y137 WeakPolarHBondContact O-CA 2.82Å; Q132-K138 WeakPolarHBondContact CB-O 3.44Å; Q132-K138 PolarHBondContact N-O 3.34Å; Q132-F140 HydrophobicContact CG-CE2 4.34Å; Q132-R219 PolarHBondContact NE2-O 3.03Å
133	F	94.3	Very high	95.1	Very high	24 Å²	24	53.1 Å²	53.1	11%	0.105	27%	0.268	C	S	.	.			trans	-104.3	35.9	-177.4	-62.5	-88.1	0	0	0	112.5	F60 I63 L64 H223	F60-F133 HydrophobicContact CB-CE1 4.11Å; F60-F133 HydrophobicContact CD1-CD1 4.33Å; F60-F133 AromaticContact CD1-CE1 3.73Å; F60-F133 HydrophobicContact CD1-CE1 3.73Å; F60-F133 AromaticContact CD2-CE1 3.85Å; F60-F133 HydrophobicContact CD2-CE1 3.85Å; F60-F133 AromaticContact CD2-CZ 3.99Å; F60-F133 HydrophobicContact CD2-CZ 3.99Å; F60-F133 HydrophobicContact CE1-CD1 4.45Å; F60-F133 HydrophobicContact CE1-CE1 4.06Å; F60-F133 HydrophobicContact CE2-CE1 4.19Å; F60-F133 HydrophobicContact CE2-CZ 4.26Å; F60-F133 AromaticContact CG-CE1 3.64Å; F60-F133 HydrophobicContact CG-CE1 3.64Å; F60-F133 HydrophobicContact CG-CZ 4.23Å; F60-F133 HydrophobicContact CZ-CE1 4.3Å; I63-F133 HydrophobicContact CD1-CD1 3.81Å; I63-F133 HydrophobicContact CD1-CE1 4.16Å; L64-F133 HydrophobicContact CD1-CE1 3.92Å; L64-F133 HydrophobicContact CD1-CZ 4.06Å; L64-F133 HydrophobicContact CD2-CD1 4.44Å; L64-F133 HydrophobicContact CD2-CE1 4.31Å; L64-F133 HydrophobicContact CG-CE1 4.29Å; F133-H223 HydrophobicContact CB-CB 4.24Å; F133-H223 HydrophobicContact CD1-CB 4.25Å; F133-H223 AromaticContact CD1-CD2 3.84Å; F133-H223 HydrophobicContact CD2-CB 3.65Å; F133-H223 HydrophobicContact CE2-CB 3.99Å; F133-H223 HydrophobicContact CG-CB 3.79Å; F133-H223 AromaticContact CG-CD2 3.77Å; F133-H223 HydrophobicContact CZ-CB 4.42Å
134	F	93	Very high	95.1	Very high	73 Å²	73	55.5 Å²	55.5	32%	0.32	28%	0.277	S	S	.	.	S	Bend	trans	-143.4	159.6	179	70.8	-82.6	0	0	0	110.4	Q132 E136 Y137 L218	Q132-F134 HydrophobicContact CB-CD1 3.82Å; Q132-F134 HydrophobicContact CB-CE1 3.51Å; Q132-F134 HydrophobicContact CB-CZ 4.35Å; Q132-F134 VanDerWaalsContact CD-CE1 3.49Å; Q132-F134 HydrophobicContact CG-CD1 4.42Å; Q132-F134 HydrophobicContact CG-CE1 3.65Å; Q132-F134 HydrophobicContact CG-CZ 4.34Å; F134-E136 PolarHBondContact O-N 2.87Å; F134-Y137 PolarHBondContact O-N 2.92Å; F134-Y137 VanDerWaalsContact O-N 3.07Å; F134-L218 HydrophobicContact CB-CD1 4.48Å; F134-L218 HydrophobicContact CB-CD2 4.4Å; F134-L218 HydrophobicContact CD1-CB 3.76Å; F134-L218 WeakPolarHBondContact CD1-O 2.83Å; F134-L218 HydrophobicContact CE1-CB 4.24Å; F134-L218 VanDerWaalsContact CE1-O 3.24Å; F134-L218 WeakPolarHBondContact CE1-O 3.45Å; F134-L218 HydrophobicContact CG-CB 4.29Å
135	G	91.4	Very high	95.1	Very high	65 Å²	65	57.7 Å²	57.7	67%	0.67	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	-121.1	178.5	0	0	0	0	0	112.1	Y137	G135-Y137 WeakPolarHBondContact O-CD2 3.33Å; G135-Y137 PolarHBondContact O-N 2.76Å
136	E	91.2	Very high	95.1	Very high	150 Å²	150	55.2 Å²	55.2	70%	0.701	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	10.9	-178.8	-60.6	175.6	173.5	0	0	114.2	F134 K138	F134-E136 PolarHBondContact O-N 2.87Å; E136-K138 HydrophobicContact CB-CG 4.26Å; E136-K138 PolarHBondContact O-N 3.09Å; E136-K138 WeakPolarHBondContact OE2-CE 3.13Å; E136-K138 IonicContact OE2-NZ 3.91Å; E136-K138 PolarHBondContact OE2-NZ 3.48Å
137	Y	94.8	Very high	94.9	Very high	72 Å²	72	51.1 Å²	51.1	28%	0.282	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	45.9	177.3	-64.1	-80.4	0	0	0	114.1	I63 Q132 F134 G135	I63-Y137 HydrophobicContact CB-CD1 4.01Å; I63-Y137 HydrophobicContact CB-CE1 4.12Å; I63-Y137 HydrophobicContact CB-CG 4.25Å; I63-Y137 HydrophobicContact CD1-CD1 4.11Å; I63-Y137 HydrophobicContact CD1-CE1 3.92Å; I63-Y137 HydrophobicContact CG1-CD1 4.03Å; I63-Y137 HydrophobicContact CG1-CE1 4.24Å; I63-Y137 WeakPolarHBondContact O-CB 3.26Å; Q132-Y137 CarbonylContact O-C 3.59Å; Q132-Y137 VanDerWaalsContact O-CA 3.26Å; Q132-Y137 WeakPolarHBondContact O-CA 2.82Å; F134-Y137 PolarHBondContact O-N 2.92Å; F134-Y137 VanDerWaalsContact O-N 3.07Å; G135-Y137 WeakPolarHBondContact O-CD2 3.33Å; G135-Y137 PolarHBondContact O-N 2.76Å
138	K	96.3	Very high	94.6	Very high	75 Å²	75	47.7 Å²	47.7	33%	0.326	26%	0.255	S	S	.	.			trans	-68.3	139.8	-173.2	-63.9	-177.9	179.6	177	0	112.2	Q111 Q132 E136 F140	Q111-K138 HydrophobicContact CB-CB 4.25Å; Q111-K138 HydrophobicContact CB-CG 4.46Å; Q111-K138 HydrophobicContact CG-CB 3.94Å; Q111-K138 HydrophobicContact CG-CG 4.08Å; Q132-K138 WeakPolarHBondContact CB-O 3.44Å; Q132-K138 PolarHBondContact N-O 3.34Å; E136-K138 HydrophobicContact CB-CG 4.26Å; E136-K138 PolarHBondContact O-N 3.09Å; E136-K138 WeakPolarHBondContact OE2-CE 3.13Å; E136-K138 IonicContact OE2-NZ 3.91Å; E136-K138 PolarHBondContact OE2-NZ 3.48Å; K138-F140 HydrophobicContact CB-CE2 3.79Å; K138-F140 HydrophobicContact CB-CZ 3.93Å; K138-F140 HydrophobicContact CD-CZ 4.39Å
139	S	98	Very high	93.7	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.8	173	-61.3	0	0	0	0	112.2	I108 C110 Q111 L130 S131	I108-S139 WeakPolarHBondContact CG2-OG 3.31Å; C110-S139 CarbonylContact C-O 3.52Å; C110-S139 WeakPolarHBondContact CA-O 3.43Å; Q111-S139 PolarHBondContact N-O 3.03Å; L130-S139 CarbonylContact O-C 3.47Å; L130-S139 WeakPolarHBondContact O-CA 3.42Å; S131-S139 WeakPolarHBondContact CB-OG 3.42Å; S131-S139 PolarHBondContact OG-OG 3.39Å
140	F	98.1	Very high	92.5	Very high	29 Å²	29	54 Å²	54	13%	0.127	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.8	-174.7	-58.1	-85.9	0	0	0	110.8	Q111 C129 L130 Q132 K138 H144 R145 P146	Q111-F140 HydrophobicContact CB-CD1 4.49Å; Q111-F140 HydrophobicContact CB-CE1 4.03Å; Q111-F140 HydrophobicContact CB-CZ 4.34Å; C129-F140 CarbonylContact C-O 3.53Å; C129-F140 WeakPolarHBondContact CA-O 3.15Å; C129-F140 VanDerWaalsContact CB-O 3.26Å; C129-F140 WeakPolarHBondContact CB-O 3.26Å; L130-F140 HydrophobicContact CD2-CD2 4.34Å; L130-F140 PolarHBondContact N-O 3.01Å; L130-F140 PolarHBondContact O-N 3.01Å; Q132-F140 HydrophobicContact CG-CE2 4.34Å; K138-F140 HydrophobicContact CB-CE2 3.79Å; K138-F140 HydrophobicContact CB-CZ 3.93Å; K138-F140 HydrophobicContact CD-CZ 4.39Å; F140-H144 WeakPolarHBondContact CD1-O 3.36Å; F140-R145 HydrophobicContact CB-CB 4.2Å; F140-P146 HydrophobicContact CD2-CG 4.27Å; F140-P146 HydrophobicContact CE2-CG 4.33Å
141	C	97.6	Very high	90.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.308	C	S	.	.			trans	-68.7	167.5	174.5	75.1	0	0	0	0	111.8	F99 C110 R117 K143 H144 R145	F99-C141 HydrophobicContact CE1-CB 4.29Å; F99-C141 HydrophobicContact CZ-CB 4.29Å; C110-C141 HydrophobicContact CB-CB 4.19Å; C110-C141 PolarHBondContact SG-N 3.21Å; R117-C141 HydrophobicContact CB-CB 4.33Å; R117-C141 PolarHBondContact NH1-SG 2.79Å; C141-K143 PolarHBondContact O-N 2.83Å; C141-H144 CarbonylContact O-C 3.44Å; C141-H144 PolarHBondContact O-N 3.47Å; C141-R145 PolarHBondContact O-N 3.33Å
142	D	94.9	Very high	89	Confident	49 Å²	49	64 Å²	64	26%	0.262	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-34.3	176.5	64.1	-33.3	0	0	0	114.5	R117 K127	R117-D142 IonicContact CZ-OD1 2.69Å; R117-D142 IonicContact NH1-OD1 3.63Å; R117-D142 PolarHBondContact NH1-OD1 2.65Å; K127-D142 WeakPolarHBondContact CE-OD2 3.36Å; K127-D142 IonicContact NZ-OD2 3.86Å
143	K	95.6	Very high	86.8	Confident	148 Å²	148	65.5 Å²	65.5	64%	0.643	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-21.5	178.7	-69.6	-171.9	175.8	-170.6	0	115.6	C141	C141-K143 PolarHBondContact O-N 2.83Å
144	H	96.7	Very high	84.8	Confident	68 Å²	68	72.1 Å²	72.1	32%	0.315	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	4.4	-171.4	-61	147.9	0	0	0	112.8	C110 K112 C115 F140 C141	C110-H144 PolarHBondContact SG-ND1 3.43Å; K112-H144 HydrophobicContact CB-CB 3.8Å; K112-H144 WeakPolarHBondContact CB-ND1 3.36Å; K112-H144 HydrophobicContact CG-CB 4.22Å; C115-H144 VanDerWaalsContact SG-CE1 3.5Å; C115-H144 PolarHBondContact SG-ND1 3.48Å; C115-H144 VanDerWaalsContact SG-ND1 3.39Å; F140-H144 WeakPolarHBondContact CD1-O 3.36Å; C141-H144 CarbonylContact O-C 3.44Å; C141-H144 PolarHBondContact O-N 3.47Å
145	R	94.4	Very high	82.4	Confident	47 Å²	47	76.9 Å²	76.9	18%	0.177	41%	0.409	C	S	.	.	S	Bend	trans	-62.8	145	176.9	65.2	177.7	-71.7	-174.8	-7.5	110.5	G128 L130 F140 C141	G128-R145 VanDerWaalsContact O-CD 3.22Å; G128-R145 WeakPolarHBondContact O-CD 3.5Å; G128-R145 PolarHBondContact O-NH1 3.03Å; L130-R145 HydrophobicContact CB-CB 3.65Å; L130-R145 HydrophobicContact CD1-CB 4.34Å; F140-R145 HydrophobicContact CB-CB 4.2Å; C141-R145 PolarHBondContact O-N 3.33Å
146	P	93.5	Very high	80.4	Confident	23 Å²	23	77.2 Å²	77.2	15%	0.149	41%	0.412	C	S	.	.			trans	-53.7	143.5	165.3	-23.3	31.6	0	0	0	111.3	L130 F140 M220	L130-P146 HydrophobicContact CD2-CG 4.32Å; F140-P146 HydrophobicContact CD2-CG 4.27Å; F140-P146 HydrophobicContact CE2-CG 4.33Å; P146-M220 HydrophobicContact CB-SD 4.09Å
147	A	90.2	Very high	78.8	Confident	75 Å²	75	78.9 Å²	78.9	62%	0.62	42%	0.42	S	S	*	.			trans	-120.8	158.3	173.4	0	0	0	0	0	110.1	R219	A147-R219 PolarHBondContact O-NH2 3.32Å; A147-R219 VanDerWaalsContact O-NH2 3.09Å
148	Q	87.3	Confident	77.8	Confident	34 Å²	34	78.8 Å²	78.8	16%	0.159	42%	0.422	C	S	.	.			trans	-100.6	145.9	163	-74.3	-179.9	-49.9	0	0	108.1	I150 I175 Q176 E216 M220	Q148-I150 HydrophobicContact CB-CD1 4.39Å; Q148-I150 HydrophobicContact CB-CG1 3.8Å; Q148-I150 PolarHBondContact O-N 3.08Å; Q148-I150 VanDerWaalsContact O-N 3.09Å; Q148-I175 VanDerWaalsContact OE1-CG1 3.28Å; Q148-Q176 PolarHBondContact NE2-O 3.02Å; Q148-E216 WeakPolarHBondContact CG-OE1 3.45Å; Q148-E216 VanDerWaalsContact NE2-CG 3.33Å; Q148-E216 PolarHBondContact NE2-OE1 3.44Å; Q148-M220 HydrophobicContact CG-CE 3.92Å; Q148-M220 HydrophobicContact CG-CG 4.06Å; Q148-M220 HydrophobicContact CG-SD 3.89Å
149	N	74.8	Confident	77.5	Confident	136 Å²	136	77.5 Å²	77.5	73%	0.727	42%	0.423	S	S	*	.			trans	-83.2	79.3	168.9	-169.2	-4.2	0	0	0	108.2	Q151	N149-Q151 PolarHBondContact O-N 3.28Å; N149-Q151 VanDerWaalsContact O-N 3.16Å
150	I	70.3	Confident	77.2	Confident	28 Å²	28	77.4 Å²	77.4	14%	0.144	42%	0.422	C	S	.	.			trans	-77.8	100.5	177.6	-53.5	179.2	0	0	0	107	Q148 H152 Q176 I184	Q148-I150 HydrophobicContact CB-CD1 4.39Å; Q148-I150 HydrophobicContact CB-CG1 3.8Å; Q148-I150 PolarHBondContact O-N 3.08Å; Q148-I150 VanDerWaalsContact O-N 3.09Å; I150-H152 PolarHBondContact O-N 3.16Å; I150-H152 VanDerWaalsContact O-N 3.15Å; I150-Q176 HydrophobicContact CD1-CB 4.46Å; I150-Q176 HydrophobicContact CG1-CB 4.15Å; I150-I184 HydrophobicContact CG2-CD1 3.86Å
151	Q	60.6	Low	76.7	Confident	121 Å²	121	79.4 Å²	79.4	57%	0.565	43%	0.433	S	S	*	.			trans	-74	100.9	169.9	-65.9	-166.8	4.4	0	0	107.9	N149 G153	N149-Q151 PolarHBondContact O-N 3.28Å; N149-Q151 VanDerWaalsContact O-N 3.16Å; Q151-G153 PolarHBondContact O-N 3.02Å
152	H	59.4	Low	76.5	Confident	109 Å²	109	82.4 Å²	82.4	51%	0.505	45%	0.449	S	S	.	.			trans	-72.3	87.9	162.5	-66.3	-75.4	0	0	0	106.9	I150 N154 E158	I150-H152 PolarHBondContact O-N 3.16Å; I150-H152 VanDerWaalsContact O-N 3.15Å; H152-N154 PolarHBondContact O-N 3.5Å; H152-E158 IonicContact ND1-OE2 3.77Å
153	G	50.9	Low	76.5	Confident	46 Å²	46	82 Å²	82	47%	0.474	45%	0.45	S	S	.	.			trans	-58.4	135	167	0	0	0	0	0	108.1	Q151 M155	Q151-G153 PolarHBondContact O-N 3.02Å; G153-M155 PolarHBondContact O-N 3.04Å
154	N	51.7	Low	76.3	Confident	163 Å²	163	79.9 Å²	79.9	87%	0.872	45%	0.453	S	S	*	.	S	Bend	trans	-49.8	110.8	165.3	-94.2	-23.5	0	0	0	107.6	H152	H152-N154 PolarHBondContact O-N 3.5Å
155	M	42.7	Very low	76.2	Confident	174 Å²	174	82.8 Å²	82.8	86%	0.857	47%	0.466	S	S	*	.			trans	159.6	121.2	150	-86.8	157.9	82.9	0	0	113	G153	G153-M155 PolarHBondContact O-N 3.04Å
156	G	50.2	Low	76.1	Confident	71 Å²	71	86.3 Å²	86.3	73%	0.732	49%	0.489	S	S	*	.	S	Bend	trans	82.2	157.3	151.2	0	0	0	0	0	117.3	E158	G156-E158 VanDerWaalsContact C-N 3.35Å; G156-E158 PolarHBondContact O-N 2.98Å
157	E	56.7	Low	75.8	Confident	185 Å²	185	86.1 Å²	86.1	86%	0.864	49%	0.486	S	S	*	.			trans	-57.3	88	176.1	-67.7	164.6	166.3	0	0	110.9	S159	E157-S159 PolarHBondContact O-N 3.49Å
158	E	74.5	Confident	75.5	Confident	70 Å²	70	84.5 Å²	84.5	33%	0.327	47%	0.47	S	S	.	.			trans	-72	109.1	172	-65.1	-176.7	157.8	0	0	108.6	H152 G156 L167 I184	H152-E158 IonicContact ND1-OE2 3.77Å; G156-E158 VanDerWaalsContact C-N 3.35Å; G156-E158 PolarHBondContact O-N 2.98Å; E158-L167 HydrophobicContact CB-CD1 3.54Å; E158-L167 WeakPolarHBondContact O-CD1 3.38Å; E158-L167 WeakPolarHBondContact O-CG 3.43Å; E158-L167 PolarHBondContact O-N 3.03Å; E158-I184 WeakPolarHBondContact OE2-CD1 3.37Å
159	S	88.8	Confident	75.2	Confident	49 Å²	49	92 Å²	92	34%	0.343	51%	0.506	S	S	.	.	B	Isolated β-bridge	trans	-101.8	150.5	175.8	59.1	0	0	0	0	111.4	E157 I161 E165	E157-S159 PolarHBondContact O-N 3.49Å; S159-I161 PolarHBondContact O-N 3.22Å; S159-E165 WeakPolarHBondContact CA-O 3.45Å
160	C	91.8	Very high	75.2	Confident	0 Å²	0	91.4 Å²	91.4	0%	0	50%	0.498	C	S	.	.			trans	-68.1	119.7	174.8	174.1	0	0	0	0	110.1	L162 C163 C164 E165 L167 H186	C160-L162 PolarHBondContact O-N 2.85Å; C160-C163 VanDerWaalsContact CB-SG 3.59Å; C160-C163 PolarHBondContact O-N 3.11Å; C160-C164 VanDerWaalsContact O-CA 3.27Å; C160-C164 WeakPolarHBondContact O-CA 3.23Å; C160-C164 PolarHBondContact O-N 2.94Å; C160-E165 PolarHBondContact N-O 2.84Å; C160-L167 HydrophobicContact CB-CD2 3.94Å; C160-H186 WeakPolarHBondContact CB-CE1 3.24Å; C160-H186 VanDerWaalsContact CB-ND1 3.28Å; C160-H186 WeakPolarHBondContact CB-ND1 3.24Å; C160-H186 PolarHBondContact SG-N 2.86Å; C160-H186 PolarHBondContact SG-ND1 3.29Å; C160-H186 VanDerWaalsContact SG-ND1 3.4Å
161	I	88.6	Confident	75.4	Confident	71 Å²	71	93.4 Å²	93.4	36%	0.364	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.9	-176	-52.7	-61.1	0	0	0	113.8	S159 A183 Y185 Q206	S159-I161 PolarHBondContact O-N 3.22Å; I161-A183 HydrophobicContact CG1-CB 4.44Å; I161-Y185 HydrophobicContact CB-CD1 4.16Å; I161-Y185 HydrophobicContact CB-CE1 3.78Å; I161-Y185 HydrophobicContact CG1-CE1 4.26Å; I161-Y185 HydrophobicContact CG2-CE1 4.49Å; I161-Q206 HydrophobicContact CG2-CG 4.29Å; I161-Q206 VanDerWaalsContact CG2-NE2 3.25Å
162	L	93.3	Very high	76.5	Confident	63 Å²	63	90.2 Å²	90.2	33%	0.33	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-30.3	-178.9	-72.7	176	0	0	0	114	C160 Y185 C189 I190 P205	C160-L162 PolarHBondContact O-N 2.85Å; L162-Y185 HydrophobicContact CD1-CD1 3.98Å; L162-Y185 HydrophobicContact CG-CD1 3.77Å; L162-Y185 HydrophobicContact CG-CE1 4.14Å; L162-C189 HydrophobicContact CB-CB 3.93Å; L162-C189 HydrophobicContact CD1-CB 3.94Å; L162-I190 HydrophobicContact CD1-CD1 3.63Å; L162-I190 HydrophobicContact CD1-CG1 3.99Å; L162-P205 HydrophobicContact CD2-CB 4.08Å; L162-P205 HydrophobicContact CD2-CG 3.94Å
163	C	94.8	Very high	77.8	Confident	42 Å²	42	88.2 Å²	88.2	28%	0.284	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-5	-178.3	63.4	0	0	0	0	114	C160 E165 H186 C189	C160-C163 VanDerWaalsContact CB-SG 3.59Å; C160-C163 PolarHBondContact O-N 3.11Å; C163-E165 HydrophobicContact CB-CG 4.42Å; C163-E165 PolarHBondContact O-N 2.92Å; C163-E165 VanDerWaalsContact O-N 3.17Å; C163-H186 VanDerWaalsContact SG-CE1 3.52Å; C163-H186 PolarHBondContact SG-ND1 2.85Å; C163-C189 VanDerWaalsContact SG-SG 3.64Å
164	C	92.3	Very high	79.8	Confident	103 Å²	103	86.1 Å²	86.1	70%	0.696	47%	0.472	S	S	*	.			trans	57.9	21.3	-177	-53.4	0	0	0	0	114.2	C160	C160-C164 VanDerWaalsContact O-CA 3.27Å; C160-C164 WeakPolarHBondContact O-CA 3.23Å; C160-C164 PolarHBondContact O-N 2.94Å
165	E	93.4	Very high	81.7	Confident	128 Å²	128	78.4 Å²	78.4	60%	0.598	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-99.9	155.3	175.7	-63.2	173.9	177.6	0	0	111.2	S159 C160 C163	S159-E165 WeakPolarHBondContact CA-O 3.45Å; C160-E165 PolarHBondContact N-O 2.84Å; C163-E165 HydrophobicContact CB-CG 4.42Å; C163-E165 PolarHBondContact O-N 2.92Å; C163-E165 VanDerWaalsContact O-N 3.17Å
166	D	91.4	Very high	84.1	Confident	122 Å²	122	71 Å²	71	65%	0.652	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-55.3	139.9	177.8	-65.3	-22.7	0	0	0	112.7	H186	D166-H186 PolarHBondContact O-CE1 3.4Å; D166-H186 PolarHBondContact O-NE2 3.31Å
167	L	88.8	Confident	86.1	Confident	19 Å²	19	68 Å²	68	10%	0.099	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-66.8	150.8	175.7	-68	170.2	0	0	0	112	E158 C160 Q169 I184	E158-L167 HydrophobicContact CB-CD1 3.54Å; E158-L167 WeakPolarHBondContact O-CD1 3.38Å; E158-L167 WeakPolarHBondContact O-CG 3.43Å; E158-L167 PolarHBondContact O-N 3.03Å; C160-L167 HydrophobicContact CB-CD2 3.94Å; L167-Q169 PolarHBondContact O-N 3.48Å; L167-I184 HydrophobicContact CD1-CB 3.6Å; L167-I184 HydrophobicContact CD1-CD1 4.08Å; L167-I184 HydrophobicContact CD1-CG1 4.36Å; L167-I184 HydrophobicContact CD1-CG2 3.66Å; L167-I184 HydrophobicContact CD2-CB 4.23Å; L167-I184 HydrophobicContact CD2-CG2 3.8Å; L167-I184 HydrophobicContact CG-CG2 4.37Å
168	S	83.8	Confident	87.8	Confident	41 Å²	41	62 Å²	62	29%	0.287	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-65.8	138.2	175.8	-179.9	0	0	0	0	110.1	Q170 N174	S168-Q170 PolarHBondContact O-N 3.47Å; S168-Q170 VanDerWaalsContact O-N 3.15Å; S168-Q170 PolarHBondContact OG-N 3.23Å; S168-Q170 VanDerWaalsContact OG-N 3.09Å; S168-N174 PolarHBondContact N-OD1 2.95Å; S168-N174 PolarHBondContact O-ND2 3.43Å
169	Q	79.9	Confident	88.6	Confident	192 Å²	192	60.3 Å²	60.3	90%	0.897	34%	0.335	S	S	*	.	S	Bend	trans	-61.9	-18.9	168.9	-61.9	-60.8	-43.7	0	0	112.1	L167	L167-Q169 PolarHBondContact O-N 3.48Å
170	Q	74.9	Confident	88.3	Confident	123 Å²	123	59 Å²	59	58%	0.575	33%	0.325	S	S	*	.	S	Bend	trans	-88.6	110.5	174.6	-60.5	-179	11.1	0	0	110	S168 V172 E173	S168-Q170 PolarHBondContact O-N 3.47Å; S168-Q170 VanDerWaalsContact O-N 3.15Å; S168-Q170 PolarHBondContact OG-N 3.23Å; S168-Q170 VanDerWaalsContact OG-N 3.09Å; Q170-V172 HydrophobicContact CB-CG2 4.19Å; Q170-V172 PolarHBondContact O-N 3.43Å; Q170-E173 HydrophobicContact CB-CG 4.29Å; Q170-E173 PolarHBondContact O-N 2.91Å
171	S	74.9	Confident	87.4	Confident	70 Å²	70	64.5 Å²	64.5	49%	0.49	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-54.3	-28.9	179.4	62.9	0	0	0	0	113.9	E173 N174	S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.15Å; S171-N174 PolarHBondContact O-N 2.83Å
172	V	82.6	Confident	86.8	Confident	54 Å²	54	66.1 Å²	66.1	33%	0.327	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-69.6	-16.8	179.4	-63.2	0	0	0	0	114.7	Q170 R187	Q170-V172 HydrophobicContact CB-CG2 4.19Å; Q170-V172 PolarHBondContact O-N 3.43Å; V172-R187 WeakPolarHBondContact O-CD 3.22Å; V172-R187 PolarHBondContact O-NE 3.49Å
173	E	88.5	Confident	86.5	Confident	66 Å²	66	63.6 Å²	63.6	31%	0.308	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-94.4	-6.9	176.8	-66.5	-58.6	119.9	0	0	112.4	Q170 S171 R187	Q170-E173 HydrophobicContact CB-CG 4.29Å; Q170-E173 PolarHBondContact O-N 2.91Å; S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.15Å; E173-R187 WeakPolarHBondContact O-CB 3.49Å; E173-R187 VanDerWaalsContact O-CG 3.27Å; E173-R187 WeakPolarHBondContact O-CG 3.48Å; E173-R187 PolarHBondContact O-N 3.06Å
174	N	91.3	Very high	86.3	Confident	3 Å²	3	62 Å²	62	2%	0.016	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	161.9	177.1	-57.4	-24.7	0	0	0	110.4	S168 S171 I184 Y185 R187	S168-N174 PolarHBondContact N-OD1 2.95Å; S168-N174 PolarHBondContact O-ND2 3.43Å; S171-N174 PolarHBondContact O-N 2.83Å; N174-I184 HydrophobicContact CB-CG2 3.77Å; N174-Y185 CarbonylContact C-O 3.46Å; N174-Y185 VanDerWaalsContact CA-O 3.3Å; N174-Y185 WeakPolarHBondContact CA-O 3.34Å; N174-R187 WeakPolarHBondContact O-CD 3.28Å; N174-R187 WeakPolarHBondContact O-CG 3.1Å; N174-R187 PolarHBondContact O-NH1 3Å
175	I	92.4	Very high	86.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.7	175.9	-166.6	166.5	0	0	0	109.1	Q148 I184 Y185 R187 I190 M217 M220 I222	Q148-I175 VanDerWaalsContact OE1-CG1 3.28Å; I175-I184 WeakPolarHBondContact O-CA 3.34Å; I175-Y185 PolarHBondContact N-O 3.01Å; I175-Y185 PolarHBondContact O-N 3.47Å; I175-R187 HydrophobicContact CB-CG 3.96Å; I175-R187 HydrophobicContact CG2-CG 4.18Å; I175-I190 HydrophobicContact CG2-CB 4.24Å; I175-I190 HydrophobicContact CG2-CG1 3.85Å; I175-M217 HydrophobicContact CD1-CE 3.8Å; I175-M217 HydrophobicContact CD1-SD 3.41Å; I175-M217 WeakPolarHBondContact CD1-SD 3.4Å; I175-M217 HydrophobicContact CG1-CE 3.92Å; I175-M217 HydrophobicContact CG1-SD 3.96Å; I175-M217 HydrophobicContact CG2-SD 4.32Å; I175-M220 HydrophobicContact CD1-CB 3.55Å; I175-M220 HydrophobicContact CD1-CG 4.13Å; I175-M220 HydrophobicContact CG1-CB 4.45Å; I175-I222 HydrophobicContact CD1-CD1 4.46Å; I175-I222 HydrophobicContact CD1-CG1 4.01Å
176	Q	92.2	Very high	86.4	Confident	20 Å²	20	52.2 Å²	52.2	9%	0.093	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.7	-176.6	-167.9	172.6	26.6	0	0	111.2	Q148 I150 Q182 A183 I184	Q148-Q176 PolarHBondContact NE2-O 3.02Å; I150-Q176 HydrophobicContact CD1-CB 4.46Å; I150-Q176 HydrophobicContact CG1-CB 4.15Å; Q176-Q182 VanDerWaalsContact NE2-CA 3.3Å; Q176-Q182 PolarHBondContact NE2-O 2.99Å; Q176-Q182 VanDerWaalsContact NE2-O 3.08Å; Q176-A183 CarbonylContact C-O 3.56Å; Q176-A183 WeakPolarHBondContact CA-O 3.43Å; Q176-I184 HydrophobicContact CG-CG1 4.26Å
177	S	92.9	Very high	86.5	Confident	8 Å²	8	48 Å²	48	6%	0.056	27%	0.265	C	S	.	.			trans	-65	131.7	170.1	-171.7	0	0	0	0	110.6	C179 C180 A183	S177-C179 PolarHBondContact OG-SG 2.89Å; S177-C180 PolarHBondContact OG-SG 2.8Å; S177-A183 PolarHBondContact N-O 2.92Å
178	P	92.5	Very high	86.8	Confident	58 Å²	58	53.7 Å²	53.7	38%	0.377	29%	0.29	S	S	.	.	S	Bend	trans	-79.5	-17.8	174.7	34.5	-38.8	0	0	0	113.6	E212 F213 E216	P178-E212 HydrophobicContact CG-CB 4.21Å; P178-F213 HydrophobicContact CG-CB 4.4Å; P178-E216 HydrophobicContact CB-CB 4.04Å; P178-E216 HydrophobicContact CB-CG 4.06Å; P178-E216 HydrophobicContact CG-CB 3.61Å; P178-E216 HydrophobicContact CG-CG 4.01Å
179	C	91.1	Very high	87.3	Confident	35 Å²	35	53 Å²	53	24%	0.236	28%	0.284	C	S	.	.	S	Bend	trans	-112	-20.1	-162.2	58.4	0	0	0	0	115	S177 C207 N209 E212	S177-C179 PolarHBondContact OG-SG 2.89Å; C179-C207 PolarHBondContact SG-SG 3.12Å; C179-N209 HydrophobicContact CB-CB 3.92Å; C179-N209 VanDerWaalsContact SG-CB 3.59Å; C179-E212 HydrophobicContact CB-CB 4.42Å
180	C	83.6	Confident	88.1	Confident	20 Å²	20	43.9 Å²	43.9	14%	0.135	24%	0.242	C	C	.	.	S	Bend	trans	-145.5	147.3	-178.3	62.3	0	0	0	0	112.1	S177 Q182 A183 C204 C207	S177-C180 PolarHBondContact OG-SG 2.8Å; C180-Q182 VanDerWaalsContact C-N 3.29Å; C180-Q182 PolarHBondContact O-N 2.58Å; C180-A183 PolarHBondContact O-N 2.92Å; C180-C204 PolarHBondContact SG-SG 2.95Å; C180-C207 HydrophobicContact CB-CB 3.92Å
181	S	72.1	Confident	89.1	Confident	117 Å²	117	40 Å²	40	82%	0.818	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	32	47.9	158.5	-43.5	0	0	0	0	116.9	A183	S181-A183 WeakPolarHBondContact O-CA 3.48Å; S181-A183 PolarHBondContact O-N 2.9Å
182	Q	75.4	Confident	90.1	Very high	105 Å²	105	42.4 Å²	42.4	49%	0.491	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.3	23.1	178.9	-71.8	-170.1	-8.7	0	0	116.3	Q176 C180 I184	Q176-Q182 VanDerWaalsContact NE2-CA 3.3Å; Q176-Q182 PolarHBondContact NE2-O 2.99Å; Q176-Q182 VanDerWaalsContact NE2-O 3.08Å; C180-Q182 VanDerWaalsContact C-N 3.29Å; C180-Q182 PolarHBondContact O-N 2.58Å; Q182-I184 WeakPolarHBondContact O-CG1 3.04Å; Q182-I184 PolarHBondContact O-N 2.96Å
183	A	88.1	Confident	90.8	Very high	10 Å²	10	42.2 Å²	42.2	8%	0.083	22%	0.219	C	C	.	.			trans	-68.2	129.7	-161.2	0	0	0	0	0	109.2	I161 Q176 S177 C180 S181 Y185	I161-A183 HydrophobicContact CG1-CB 4.44Å; Q176-A183 CarbonylContact C-O 3.56Å; Q176-A183 WeakPolarHBondContact CA-O 3.43Å; S177-A183 PolarHBondContact N-O 2.92Å; C180-A183 PolarHBondContact O-N 2.92Å; S181-A183 WeakPolarHBondContact O-CA 3.48Å; S181-A183 PolarHBondContact O-N 2.9Å; A183-Y185 HydrophobicContact CB-CE2 4.22Å
184	I	90.5	Very high	91.2	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.046	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.2	-176.8	-46.7	-178.8	0	0	0	109.3	I150 E158 L167 N174 I175 Q176 Q182	I150-I184 HydrophobicContact CG2-CD1 3.86Å; E158-I184 WeakPolarHBondContact OE2-CD1 3.37Å; L167-I184 HydrophobicContact CD1-CB 3.6Å; L167-I184 HydrophobicContact CD1-CD1 4.08Å; L167-I184 HydrophobicContact CD1-CG1 4.36Å; L167-I184 HydrophobicContact CD1-CG2 3.66Å; L167-I184 HydrophobicContact CD2-CB 4.23Å; L167-I184 HydrophobicContact CD2-CG2 3.8Å; L167-I184 HydrophobicContact CG-CG2 4.37Å; N174-I184 HydrophobicContact CB-CG2 3.77Å; I175-I184 WeakPolarHBondContact O-CA 3.34Å; Q176-I184 HydrophobicContact CG-CG1 4.26Å; Q182-I184 WeakPolarHBondContact O-CG1 3.04Å; Q182-I184 PolarHBondContact O-N 2.96Å
185	Y	93.3	Very high	91.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.2	178.9	-46.6	-88	0	0	0	109.9	I161 L162 N174 I175 A183 R187 I190 P205 Q206 F213	I161-Y185 HydrophobicContact CB-CD1 4.16Å; I161-Y185 HydrophobicContact CB-CE1 3.78Å; I161-Y185 HydrophobicContact CG1-CE1 4.26Å; I161-Y185 HydrophobicContact CG2-CE1 4.49Å; L162-Y185 HydrophobicContact CD1-CD1 3.98Å; L162-Y185 HydrophobicContact CG-CD1 3.77Å; L162-Y185 HydrophobicContact CG-CE1 4.14Å; N174-Y185 CarbonylContact C-O 3.46Å; N174-Y185 VanDerWaalsContact CA-O 3.3Å; N174-Y185 WeakPolarHBondContact CA-O 3.34Å; I175-Y185 PolarHBondContact N-O 3.01Å; I175-Y185 PolarHBondContact O-N 3.47Å; A183-Y185 HydrophobicContact CB-CE2 4.22Å; Y185-R187 PolarHBondContact O-N 3.08Å; Y185-I190 HydrophobicContact CD1-CD1 4Å; Y185-I190 HydrophobicContact CD1-CG1 4.37Å; Y185-I190 HydrophobicContact CD2-CD1 3.72Å; Y185-I190 HydrophobicContact CD2-CG1 3.95Å; Y185-I190 HydrophobicContact CE1-CD1 4.44Å; Y185-I190 HydrophobicContact CE2-CD1 4.21Å; Y185-I190 HydrophobicContact CG-CD1 3.61Å; Y185-I190 HydrophobicContact CG-CG1 3.65Å; Y185-P205 HydrophobicContact CE1-CG 4.42Å; Y185-Q206 WeakPolarHBondContact OH-CG 3.47Å; Y185-F213 HydrophobicContact CE2-CE2 4.03Å
186	H	94.1	Very high	91.3	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.116	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.9	160.3	-53.1	114.5	0	0	0	109.2	C160 C163 D166 K188 C189 I190	C160-H186 WeakPolarHBondContact CB-CE1 3.24Å; C160-H186 VanDerWaalsContact CB-ND1 3.28Å; C160-H186 WeakPolarHBondContact CB-ND1 3.24Å; C160-H186 PolarHBondContact SG-N 2.86Å; C160-H186 PolarHBondContact SG-ND1 3.29Å; C160-H186 VanDerWaalsContact SG-ND1 3.4Å; C163-H186 VanDerWaalsContact SG-CE1 3.52Å; C163-H186 PolarHBondContact SG-ND1 2.85Å; D166-H186 PolarHBondContact O-CE1 3.4Å; D166-H186 PolarHBondContact O-NE2 3.31Å; H186-K188 PolarHBondContact O-N 3.22Å; H186-C189 HydrophobicContact CB-CB 4.2Å; H186-C189 PolarHBondContact O-N 3.25Å; H186-I190 PolarHBondContact O-N 3.45Å
187	R	93.9	Very high	91.4	Very high	32 Å²	32	43.7 Å²	43.7	12%	0.121	23%	0.23	C	C	.	.	H	α-helix	trans	-58	-37	175.4	-69.7	176.7	93.3	76.4	10.4	112.2	V172 E173 N174 I175 Y185 I190 Q191 M220	V172-R187 WeakPolarHBondContact O-CD 3.22Å; V172-R187 PolarHBondContact O-NE 3.49Å; E173-R187 WeakPolarHBondContact O-CB 3.49Å; E173-R187 VanDerWaalsContact O-CG 3.27Å; E173-R187 WeakPolarHBondContact O-CG 3.48Å; E173-R187 PolarHBondContact O-N 3.06Å; N174-R187 WeakPolarHBondContact O-CD 3.28Å; N174-R187 WeakPolarHBondContact O-CG 3.1Å; N174-R187 PolarHBondContact O-NH1 3Å; I175-R187 HydrophobicContact CB-CG 3.96Å; I175-R187 HydrophobicContact CG2-CG 4.18Å; Y185-R187 PolarHBondContact O-N 3.08Å; R187-I190 PolarHBondContact O-N 3.45Å; R187-Q191 WeakPolarHBondContact O-CB 3.27Å; R187-Q191 PolarHBondContact O-N 2.94Å; R187-M220 PolarHBondContact NH2-O 3.25Å
188	K	93.9	Very high	91.5	Very high	140 Å²	140	43.3 Å²	43.3	61%	0.609	23%	0.227	S	C	*	.	H	α-helix	trans	-63.9	-42.3	176.2	-65.8	177.9	-174.3	167.9	0	111.8	H186 Q191 K192	H186-K188 PolarHBondContact O-N 3.22Å; K188-Q191 PolarHBondContact O-N 3.43Å; K188-K192 WeakPolarHBondContact O-CG 3.4Å; K188-K192 PolarHBondContact O-N 3.32Å
189	C	96	Very high	91.5	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.176	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-44.9	178.3	-63.9	0	0	0	0	111	L162 C163 H186 Q191 K192 Y193	L162-C189 HydrophobicContact CB-CB 3.93Å; L162-C189 HydrophobicContact CD1-CB 3.94Å; C163-C189 VanDerWaalsContact SG-SG 3.64Å; H186-C189 HydrophobicContact CB-CB 4.2Å; H186-C189 PolarHBondContact O-N 3.25Å; C189-Q191 PolarHBondContact O-N 3.5Å; C189-K192 PolarHBondContact O-N 2.99Å; C189-Y193 WeakPolarHBondContact O-CB 3.2Å; C189-Y193 PolarHBondContact O-N 2.89Å
190	I	96.3	Very high	91.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-39.8	175.2	-71.4	-74.6	0	0	0	112	L162 I175 Y185 H186 R187 K192 Y193 A194 F202 F213 M217 I222	L162-I190 HydrophobicContact CD1-CD1 3.63Å; L162-I190 HydrophobicContact CD1-CG1 3.99Å; I175-I190 HydrophobicContact CG2-CB 4.24Å; I175-I190 HydrophobicContact CG2-CG1 3.85Å; Y185-I190 HydrophobicContact CD1-CD1 4Å; Y185-I190 HydrophobicContact CD1-CG1 4.37Å; Y185-I190 HydrophobicContact CD2-CD1 3.72Å; Y185-I190 HydrophobicContact CD2-CG1 3.95Å; Y185-I190 HydrophobicContact CE1-CD1 4.44Å; Y185-I190 HydrophobicContact CE2-CD1 4.21Å; Y185-I190 HydrophobicContact CG-CD1 3.61Å; Y185-I190 HydrophobicContact CG-CG1 3.65Å; H186-I190 PolarHBondContact O-N 3.45Å; R187-I190 PolarHBondContact O-N 3.45Å; I190-K192 VanDerWaalsContact C-N 3.34Å; I190-K192 PolarHBondContact O-N 3.44Å; I190-Y193 PolarHBondContact O-N 3.29Å; I190-A194 WeakPolarHBondContact O-CB 3.48Å; I190-A194 PolarHBondContact O-N 3.23Å; I190-F202 HydrophobicContact CG2-CZ 4.13Å; I190-F213 HydrophobicContact CD1-CZ 3.83Å; I190-M217 HydrophobicContact CG2-CG 4.26Å; I190-M217 HydrophobicContact CG2-SD 3.76Å; I190-I222 HydrophobicContact CB-CD1 4.4Å; I190-I222 HydrophobicContact CG2-CD1 3.86Å; I190-I222 HydrophobicContact CG2-CG1 3.79Å; I190-I222 HydrophobicContact CG2-CG2 4.03Å
191	Q	95.9	Very high	92.1	Very high	41 Å²	41	52 Å²	52	19%	0.192	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-40.4	177.6	-175.5	58.2	76	0	0	111.9	R187 K188 C189 A194 H195 I222 H223	R187-Q191 WeakPolarHBondContact O-CB 3.27Å; R187-Q191 PolarHBondContact O-N 2.94Å; K188-Q191 PolarHBondContact O-N 3.43Å; C189-Q191 PolarHBondContact O-N 3.5Å; Q191-A194 PolarHBondContact O-N 2.91Å; Q191-H195 WeakPolarHBondContact O-CB 3.21Å; Q191-H195 PolarHBondContact O-N 3.33Å; Q191-I222 HydrophobicContact CB-CD1 4.31Å; Q191-H223 PolarHBondContact NE2-O 2.86Å
192	K	95.4	Very high	93.3	Very high	121 Å²	121	46.8 Å²	46.8	53%	0.526	22%	0.217	S	C	.	.	H	α-helix	trans	-64.2	-48.3	172.6	-74.2	178.8	177.3	-173.9	0	111.3	K188 C189 I190 A194 H195 T196	K188-K192 WeakPolarHBondContact O-CG 3.4Å; K188-K192 PolarHBondContact O-N 3.32Å; C189-K192 PolarHBondContact O-N 2.99Å; I190-K192 VanDerWaalsContact C-N 3.34Å; I190-K192 PolarHBondContact O-N 3.44Å; K192-A194 VanDerWaalsContact C-N 3.29Å; K192-A194 PolarHBondContact O-N 2.72Å; K192-H195 WeakPolarHBondContact O-CB 3.22Å; K192-H195 PolarHBondContact O-N 3.08Å; K192-T196 PolarHBondContact O-N 3.41Å; K192-T196 PolarHBondContact O-OG1 3.28Å; K192-T196 VanDerWaalsContact O-OG1 3.11Å
193	Y	96.8	Very high	94.3	Very high	51 Å²	51	44.3 Å²	44.3	20%	0.2	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-44.1	176	171.4	-124.9	0	0	0	111.9	C189 I190 H195 T196 S197 F201 F202 K203 P205	C189-Y193 WeakPolarHBondContact O-CB 3.2Å; C189-Y193 PolarHBondContact O-N 2.89Å; I190-Y193 PolarHBondContact O-N 3.29Å; Y193-H195 PolarHBondContact O-N 2.98Å; Y193-T196 PolarHBondContact O-N 3.02Å; Y193-S197 WeakPolarHBondContact O-CB 3.43Å; Y193-S197 PolarHBondContact O-N 2.65Å; Y193-S197 PolarHBondContact O-OG 2.91Å; Y193-F201 PolarHBondContact OH-O 3.47Å; Y193-F202 AromaticContact CD1-CD2 3.62Å; Y193-F202 HydrophobicContact CD1-CD2 3.62Å; Y193-F202 AromaticContact CD1-CE2 3.32Å; Y193-F202 HydrophobicContact CD1-CE2 3.32Å; Y193-F202 HydrophobicContact CD1-CZ 4.4Å; Y193-F202 AromaticContact CE1-CD2 3.42Å; Y193-F202 HydrophobicContact CE1-CD2 3.42Å; Y193-F202 VanDerWaalsContact CE1-CD2 3.42Å; Y193-F202 AromaticContact CE1-CE2 3.51Å; Y193-F202 HydrophobicContact CE1-CE2 3.51Å; Y193-F202 HydrophobicContact CE1-CG 4.39Å; Y193-F202 HydrophobicContact CG-CD2 4.36Å; Y193-F202 HydrophobicContact CG-CE2 4.21Å; Y193-K203 WeakPolarHBondContact CE1-O 3.28Å; Y193-K203 PolarHBondContact OH-N 2.91Å; Y193-K203 PolarHBondContact OH-O 3.48Å; Y193-P205 HydrophobicContact CD1-CG 4.02Å; Y193-P205 HydrophobicContact CE1-CG 3.75Å
194	A	96.8	Very high	94.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-41.6	173.8	0	0	0	0	0	112.7	I190 Q191 K192 A198 F202 I222 I224 P225	I190-A194 WeakPolarHBondContact O-CB 3.48Å; I190-A194 PolarHBondContact O-N 3.23Å; Q191-A194 PolarHBondContact O-N 2.91Å; K192-A194 VanDerWaalsContact C-N 3.29Å; K192-A194 PolarHBondContact O-N 2.72Å; A194-A198 WeakPolarHBondContact O-CA 3.05Å; A194-A198 PolarHBondContact O-N 3.48Å; A194-F202 VanDerWaalsContact CA-CD2 3.42Å; A194-F202 VanDerWaalsContact CA-CE2 3.49Å; A194-F202 HydrophobicContact CB-CD2 3.79Å; A194-F202 HydrophobicContact CB-CE2 3.46Å; A194-F202 VanDerWaalsContact CB-CE2 3.46Å; A194-F202 HydrophobicContact CB-CZ 3.97Å; A194-I222 HydrophobicContact CB-CG2 3.69Å; A194-I224 HydrophobicContact CB-CG1 4.16Å; A194-P225 WeakPolarHBondContact O-CD 3.48Å
195	H	93.3	Very high	94.9	Very high	57 Å²	57	45.3 Å²	45.3	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-67.3	-37.6	-179.6	-164.7	71.6	0	0	0	113.1	Q191 K192 Y193 R227	Q191-H195 WeakPolarHBondContact O-CB 3.21Å; Q191-H195 PolarHBondContact O-N 3.33Å; K192-H195 WeakPolarHBondContact O-CB 3.22Å; K192-H195 PolarHBondContact O-N 3.08Å; Y193-H195 PolarHBondContact O-N 2.98Å; H195-R227 PolarHBondContact CD2-NH2 3.3Å; H195-R227 VanDerWaalsContact CD2-NH2 3.26Å; H195-R227 PolarHBondContact CE1-NH2 3.22Å; H195-R227 PolarHBondContact NE2-NH2 2.79Å; H195-R227 PolarHBondContact O-NH2 3.4Å
196	T	93.6	Very high	94.9	Very high	62 Å²	62	50.2 Å²	50.2	38%	0.38	23%	0.234	S	C	.	.	H	α-helix	trans	-76.4	-45.3	179	-51	0	0	0	0	111.6	K192 Y193 A229 A230 W231	K192-T196 PolarHBondContact O-N 3.41Å; K192-T196 PolarHBondContact O-OG1 3.28Å; K192-T196 VanDerWaalsContact O-OG1 3.11Å; Y193-T196 PolarHBondContact O-N 3.02Å; T196-A229 WeakPolarHBondContact O-CA 3.43Å; T196-A230 HydrophobicContact CG2-CB 4.02Å; T196-A230 PolarHBondContact O-N 3.22Å; T196-W231 HydrophobicContact CG2-CE3 3.75Å; T196-W231 HydrophobicContact CG2-CZ3 3.81Å; T196-W231 WeakPolarHBondContact O-CZ3 3.28Å
197	S	94.9	Very high	94.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-82.4	-22.1	-176.2	59.2	0	0	0	0	114.7	Y193 F201 F202 W231	Y193-S197 WeakPolarHBondContact O-CB 3.43Å; Y193-S197 PolarHBondContact O-N 2.65Å; Y193-S197 PolarHBondContact O-OG 2.91Å; S197-F201 WeakPolarHBondContact O-CB 3.32Å; S197-F201 PolarHBondContact O-N 3.48Å; S197-F202 WeakPolarHBondContact OG-CD2 3.38Å; S197-W231 VanDerWaalsContact CA-CH2 3.42Å
198	A	94.7	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	52.3	-175.8	-177.2	0	0	0	0	0	113.3	A194 H200 F201 F202 P225 R227	A194-A198 WeakPolarHBondContact O-CA 3.05Å; A194-A198 PolarHBondContact O-N 3.48Å; A198-H200 VanDerWaalsContact C-N 3.29Å; A198-H200 PolarHBondContact O-N 2.83Å; A198-F201 PolarHBondContact O-N 3.33Å; A198-F202 WeakPolarHBondContact O-CB 3.49Å; A198-F202 PolarHBondContact O-N 3.3Å; A198-P225 HydrophobicContact CB-CG 4.21Å; A198-R227 HydrophobicContact CB-CG 4.13Å; A198-R227 WeakPolarHBondContact CB-O 3.45Å
199	K	92.9	Very high	95.1	Very high	108 Å²	108	49.9 Å²	49.9	47%	0.47	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-37.2	-170.6	-170.9	-177.6	-177.6	-172.8	0	114.2	I224 P225 D226	K199-I224 HydrophobicContact CB-CG2 4.29Å; K199-P225 PolarHBondContact N-O 2.86Å; K199-D226 HydrophobicContact CD-CB 4.2Å; K199-D226 VanDerWaalsContact CD-CG 3.46Å; K199-D226 WeakPolarHBondContact CD-OD1 3.12Å; K199-D226 WeakPolarHBondContact CD-OD2 3.32Å; K199-D226 IonicContact NZ-OD1 3.39Å; K199-D226 IonicContact NZ-OD2 2.7Å; K199-D226 PolarHBondContact NZ-OD2 3.27Å
200	H	91.1	Very high	95	Very high	115 Å²	115	55.3 Å²	55.3	53%	0.532	26%	0.262	S	S	.	.	H	α-helix	trans	-76.1	-30.6	-172.5	-67.8	-70.1	0	0	0	114.1	A198	A198-H200 VanDerWaalsContact C-N 3.29Å; A198-H200 PolarHBondContact O-N 2.83Å
201	F	95.5	Very high	95	Very high	73 Å²	73	61.9 Å²	61.9	32%	0.32	29%	0.291	S	S	.	.	H	α-helix	trans	-113.5	-4.7	-176.6	-58.1	-89.3	0	0	0	114	Y193 S197 A198 K203 A229 W231 E232	Y193-F201 PolarHBondContact OH-O 3.47Å; S197-F201 WeakPolarHBondContact O-CB 3.32Å; S197-F201 PolarHBondContact O-N 3.48Å; A198-F201 PolarHBondContact O-N 3.33Å; F201-K203 PolarHBondContact O-N 3.11Å; F201-A229 HydrophobicContact CD2-CB 3.76Å; F201-A229 HydrophobicContact CE2-CB 4.1Å; F201-W231 HydrophobicContact CB-CH2 3.96Å; F201-W231 HydrophobicContact CB-CZ2 3.81Å; F201-W231 HydrophobicContact CD1-CZ2 4.22Å; F201-W231 AromaticContact CD2-CZ2 3.96Å; F201-W231 HydrophobicContact CD2-CZ2 3.96Å; F201-W231 HydrophobicContact CG-CH2 4.39Å; F201-W231 AromaticContact CG-CZ2 3.74Å; F201-W231 HydrophobicContact CG-CZ2 3.74Å; F201-E232 WeakPolarHBondContact CE2-OE1 3.21Å; F201-E232 VanDerWaalsContact CZ-OE1 3.28Å; F201-E232 WeakPolarHBondContact CZ-OE1 3.25Å
202	F	97.4	Very high	95	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.035	31%	0.305	C	S	.	.			trans	-70.4	112.3	176.1	-171.2	-106.5	0	0	0	111.5	I190 Y193 A194 S197 A198 F213 P214 M217 I222 I224	I190-F202 HydrophobicContact CG2-CZ 4.13Å; Y193-F202 AromaticContact CD1-CD2 3.62Å; Y193-F202 HydrophobicContact CD1-CD2 3.62Å; Y193-F202 AromaticContact CD1-CE2 3.32Å; Y193-F202 HydrophobicContact CD1-CE2 3.32Å; Y193-F202 HydrophobicContact CD1-CZ 4.4Å; Y193-F202 AromaticContact CE1-CD2 3.42Å; Y193-F202 HydrophobicContact CE1-CD2 3.42Å; Y193-F202 VanDerWaalsContact CE1-CD2 3.42Å; Y193-F202 AromaticContact CE1-CE2 3.51Å; Y193-F202 HydrophobicContact CE1-CE2 3.51Å; Y193-F202 HydrophobicContact CE1-CG 4.39Å; Y193-F202 HydrophobicContact CG-CD2 4.36Å; Y193-F202 HydrophobicContact CG-CE2 4.21Å; A194-F202 VanDerWaalsContact CA-CD2 3.42Å; A194-F202 VanDerWaalsContact CA-CE2 3.49Å; A194-F202 HydrophobicContact CB-CD2 3.79Å; A194-F202 HydrophobicContact CB-CE2 3.46Å; A194-F202 VanDerWaalsContact CB-CE2 3.46Å; A194-F202 HydrophobicContact CB-CZ 3.97Å; S197-F202 WeakPolarHBondContact OG-CD2 3.38Å; A198-F202 WeakPolarHBondContact O-CB 3.49Å; A198-F202 PolarHBondContact O-N 3.3Å; F202-F213 HydrophobicContact CD1-CE1 4.48Å; F202-F213 HydrophobicContact CE1-CD1 4.07Å; F202-F213 AromaticContact CE1-CE1 3.78Å; F202-F213 HydrophobicContact CE1-CE1 3.78Å; F202-F213 HydrophobicContact CE2-CE1 4.23Å; F202-F213 HydrophobicContact CZ-CD1 4.41Å; F202-F213 AromaticContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CZ 4.49Å; F202-P214 HydrophobicContact CD1-CB 4.04Å; F202-P214 HydrophobicContact CD1-CG 4.07Å; F202-P214 HydrophobicContact CE1-CB 4.4Å; F202-P214 WeakPolarHBondContact O-CG 3.4Å; F202-M217 HydrophobicContact CE1-CB 3.82Å; F202-M217 HydrophobicContact CE1-CG 3.81Å; F202-M217 HydrophobicContact CZ-CB 4Å; F202-M217 HydrophobicContact CZ-CG 3.78Å; F202-I222 HydrophobicContact CZ-CG2 4.46Å; F202-I224 HydrophobicContact CB-CG2 4.11Å; F202-I224 HydrophobicContact CD1-CD1 3.33Å; F202-I224 HydrophobicContact CD1-CG1 3.94Å; F202-I224 HydrophobicContact CD1-CG2 4.44Å; F202-I224 HydrophobicContact CE1-CD1 3.44Å; F202-I224 VanDerWaalsContact CE1-CD1 3.44Å; F202-I224 HydrophobicContact CE1-CG1 3.96Å; F202-I224 HydrophobicContact CG-CD1 4.22Å; F202-I224 HydrophobicContact CG-CG1 4.44Å; F202-I224 HydrophobicContact CG-CG2 4.35Å; F202-I224 HydrophobicContact CZ-CD1 4.39Å; F202-I224 HydrophobicContact CZ-CG1 4.49Å
203	K	96.8	Very high	95	Very high	53 Å²	53	59.1 Å²	59.1	23%	0.23	28%	0.28	C	S	.	.			trans	-147.6	168.4	-177.7	60.7	-171.7	169	158.3	0	109.2	Y193 F201 P205 N208 N209 R210 F213	Y193-K203 WeakPolarHBondContact CE1-O 3.28Å; Y193-K203 PolarHBondContact OH-N 2.91Å; Y193-K203 PolarHBondContact OH-O 3.48Å; F201-K203 PolarHBondContact O-N 3.11Å; K203-P205 VanDerWaalsContact O-CD 3.28Å; K203-P205 WeakPolarHBondContact O-CD 3.33Å; K203-N208 HydrophobicContact CD-CB 4.21Å; K203-N208 WeakPolarHBondContact CD-OD1 3.13Å; K203-N208 WeakPolarHBondContact CE-OD1 3.47Å; K203-N208 PolarHBondContact NZ-OD1 3.35Å; K203-N209 WeakPolarHBondContact CA-O 3.29Å; K203-R210 HydrophobicContact CB-CG 3.94Å; K203-F213 WeakPolarHBondContact O-CE1 3.41Å
204	C	96.2	Very high	95	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.277	C	S	.	.			trans	-58.1	124.8	175.7	-177.4	0	0	0	0	110.4	C180 Q206 N208 N209 F213	C180-C204 PolarHBondContact SG-SG 2.95Å; C204-Q206 PolarHBondContact O-N 3.36Å; C204-Q206 VanDerWaalsContact O-N 3.09Å; C204-N208 VanDerWaalsContact O-CA 3.24Å; C204-N208 WeakPolarHBondContact O-CA 3.39Å; C204-N208 PolarHBondContact O-N 3.5Å; C204-N209 HydrophobicContact CB-CB 4.01Å; C204-N209 PolarHBondContact N-O 3.05Å; C204-F213 HydrophobicContact CB-CB 3.87Å; C204-F213 HydrophobicContact CB-CD1 4.2Å; C204-F213 HydrophobicContact CB-CD2 3.72Å; C204-F213 HydrophobicContact CB-CE2 4.27Å; C204-F213 HydrophobicContact CB-CG 3.67Å
205	P	94.4	Very high	94.9	Very high	39 Å²	39	63.2 Å²	63.2	25%	0.253	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.4	178.9	-24.5	34.3	0	0	0	114.5	L162 Y185 Y193 K203 F213	L162-P205 HydrophobicContact CD2-CB 4.08Å; L162-P205 HydrophobicContact CD2-CG 3.94Å; Y185-P205 HydrophobicContact CE1-CG 4.42Å; Y193-P205 HydrophobicContact CD1-CG 4.02Å; Y193-P205 HydrophobicContact CE1-CG 3.75Å; K203-P205 VanDerWaalsContact O-CD 3.28Å; K203-P205 WeakPolarHBondContact O-CD 3.33Å; P205-F213 HydrophobicContact CG-CZ 4.49Å
206	Q	92.8	Very high	95	Very high	104 Å²	104	61.9 Å²	61.9	49%	0.486	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-52.2	-174.9	-66.8	-64.1	-77.2	0	0	112.5	I161 Y185 C204	I161-Q206 HydrophobicContact CG2-CG 4.29Å; I161-Q206 VanDerWaalsContact CG2-NE2 3.25Å; Y185-Q206 WeakPolarHBondContact OH-CG 3.47Å; C204-Q206 PolarHBondContact O-N 3.36Å; C204-Q206 VanDerWaalsContact O-N 3.09Å
207	C	94.2	Very high	95.2	Very high	59 Å²	59	58.9 Å²	58.9	40%	0.399	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	7.7	-176.4	70.1	0	0	0	0	114.1	C179 C180 N209	C179-C207 PolarHBondContact SG-SG 3.12Å; C180-C207 HydrophobicContact CB-CB 3.92Å; C207-N209 PolarHBondContact O-N 2.84Å; C207-N209 VanDerWaalsContact SG-CB 3.6Å
208	N	95	Very high	95.3	Very high	90 Å²	90	60.3 Å²	60.3	48%	0.481	29%	0.286	S	S	.	.			trans	57.7	16.1	-177.6	-70.7	-63.8	0	0	0	115.3	K203 C204 R210	K203-N208 HydrophobicContact CD-CB 4.21Å; K203-N208 WeakPolarHBondContact CD-OD1 3.13Å; K203-N208 WeakPolarHBondContact CE-OD1 3.47Å; K203-N208 PolarHBondContact NZ-OD1 3.35Å; C204-N208 VanDerWaalsContact O-CA 3.24Å; C204-N208 WeakPolarHBondContact O-CA 3.39Å; C204-N208 PolarHBondContact O-N 3.5Å; N208-R210 VanDerWaalsContact O-CG 3.31Å; N208-R210 WeakPolarHBondContact O-CG 3.34Å; N208-R210 PolarHBondContact O-N 3Å
209	N	96.3	Very high	95.4	Very high	40 Å²	40	64.2 Å²	64.2	21%	0.214	30%	0.3	C	S	.	.			trans	-56.9	125.6	175.7	-178	-68.7	0	0	0	110.9	C179 K203 C204 C207 K211 E212 F213	C179-N209 HydrophobicContact CB-CB 3.92Å; C179-N209 VanDerWaalsContact SG-CB 3.59Å; K203-N209 WeakPolarHBondContact CA-O 3.29Å; C204-N209 HydrophobicContact CB-CB 4.01Å; C204-N209 PolarHBondContact N-O 3.05Å; C207-N209 PolarHBondContact O-N 2.84Å; C207-N209 VanDerWaalsContact SG-CB 3.6Å; N209-K211 PolarHBondContact OD1-N 3.49Å; N209-E212 PolarHBondContact OD1-N 3.32Å; N209-F213 HydrophobicContact CB-CB 4.45Å; N209-F213 PolarHBondContact OD1-N 3.49Å; N209-F213 VanDerWaalsContact OD1-N 3.17Å
210	R	95.7	Very high	95.5	Very high	140 Å²	140	59.3 Å²	59.3	53%	0.528	28%	0.279	S	S	.	.	S	Bend	trans	-106.7	4.5	-176	-56	-169.2	178.6	-143.3	6.6	114.1	K203 N208	K203-R210 HydrophobicContact CB-CG 3.94Å; N208-R210 VanDerWaalsContact O-CG 3.31Å; N208-R210 WeakPolarHBondContact O-CG 3.34Å; N208-R210 PolarHBondContact O-N 3Å
211	K	94.7	Very high	95.7	Very high	139 Å²	139	54.5 Å²	54.5	60%	0.604	26%	0.261	S	S	*	.	S	Bend	trans	-117.4	-73.7	-173.4	-66.9	-174.2	177.9	-176.4	0	111.2	N209 F213 P214 Q215	N209-K211 PolarHBondContact OD1-N 3.49Å; K211-F213 PolarHBondContact O-N 2.82Å; K211-P214 WeakPolarHBondContact O-CD 3.48Å; K211-Q215 WeakPolarHBondContact O-CB 3.46Å; K211-Q215 PolarHBondContact O-N 2.99Å
212	E	95.5	Very high	95.8	Very high	104 Å²	104	51.2 Å²	51.2	49%	0.486	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-42.4	-176.1	-65.5	170.4	-172.2	0	0	111.9	P178 C179 N209 Q215 E216	P178-E212 HydrophobicContact CG-CB 4.21Å; C179-E212 HydrophobicContact CB-CB 4.42Å; N209-E212 PolarHBondContact OD1-N 3.32Å; E212-Q215 PolarHBondContact O-N 2.94Å; E212-E216 WeakPolarHBondContact O-CB 3.42Å; E212-E216 PolarHBondContact O-N 2.99Å
213	F	95.9	Very high	95.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-56.9	-177.9	179.1	-85.8	0	0	0	112.1	P178 Y185 I190 F202 K203 C204 P205 N209 K211 Q215 E216 M217	P178-F213 HydrophobicContact CG-CB 4.4Å; Y185-F213 HydrophobicContact CE2-CE2 4.03Å; I190-F213 HydrophobicContact CD1-CZ 3.83Å; F202-F213 HydrophobicContact CD1-CE1 4.48Å; F202-F213 HydrophobicContact CE1-CD1 4.07Å; F202-F213 AromaticContact CE1-CE1 3.78Å; F202-F213 HydrophobicContact CE1-CE1 3.78Å; F202-F213 HydrophobicContact CE2-CE1 4.23Å; F202-F213 HydrophobicContact CZ-CD1 4.41Å; F202-F213 AromaticContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CE1 3.67Å; F202-F213 HydrophobicContact CZ-CZ 4.49Å; K203-F213 WeakPolarHBondContact O-CE1 3.41Å; C204-F213 HydrophobicContact CB-CB 3.87Å; C204-F213 HydrophobicContact CB-CD1 4.2Å; C204-F213 HydrophobicContact CB-CD2 3.72Å; C204-F213 HydrophobicContact CB-CE2 4.27Å; C204-F213 HydrophobicContact CB-CG 3.67Å; P205-F213 HydrophobicContact CG-CZ 4.49Å; N209-F213 HydrophobicContact CB-CB 4.45Å; N209-F213 PolarHBondContact OD1-N 3.49Å; N209-F213 VanDerWaalsContact OD1-N 3.17Å; K211-F213 PolarHBondContact O-N 2.82Å; F213-Q215 VanDerWaalsContact C-N 3.29Å; F213-Q215 PolarHBondContact O-N 3.49Å; F213-E216 PolarHBondContact O-N 3.03Å; F213-M217 HydrophobicContact CD1-CG 4.05Å; F213-M217 HydrophobicContact CD2-CE 4.29Å; F213-M217 HydrophobicContact CE1-CG 3.8Å; F213-M217 HydrophobicContact CE2-CE 4.14Å; F213-M217 HydrophobicContact CE2-CG 4.39Å; F213-M217 HydrophobicContact CE2-SD 4.26Å; F213-M217 HydrophobicContact CG-CG 4.46Å; F213-M217 HydrophobicContact CZ-CG 3.99Å; F213-M217 HydrophobicContact CZ-SD 4.13Å; F213-M217 VanDerWaalsContact O-CG 3.25Å; F213-M217 WeakPolarHBondContact O-CG 3.37Å; F213-M217 PolarHBondContact O-N 2.89Å
214	P	96.8	Very high	95.6	Very high	20 Å²	20	50.9 Å²	50.9	13%	0.13	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-41.6	175.5	-27.5	36.9	0	0	0	113.8	F202 K211 E216 M217 L218 I224	F202-P214 HydrophobicContact CD1-CB 4.04Å; F202-P214 HydrophobicContact CD1-CG 4.07Å; F202-P214 HydrophobicContact CE1-CB 4.4Å; F202-P214 WeakPolarHBondContact O-CG 3.4Å; K211-P214 WeakPolarHBondContact O-CD 3.48Å; P214-E216 PolarHBondContact O-N 3.44Å; P214-M217 PolarHBondContact O-N 2.97Å; P214-L218 WeakPolarHBondContact O-CB 3.49Å; P214-L218 WeakPolarHBondContact O-CG 3.44Å; P214-L218 PolarHBondContact O-N 3.19Å; P214-I224 HydrophobicContact CB-CD1 4.26Å
215	Q	95.8	Very high	95.5	Very high	116 Å²	116	51.4 Å²	51.4	54%	0.542	25%	0.25	S	S	.	.	H	α-helix	trans	-61	-44	179.8	-174	178.3	9.4	0	0	111.9	K211 E212 F213 L218 R219	K211-Q215 WeakPolarHBondContact O-CB 3.46Å; K211-Q215 PolarHBondContact O-N 2.99Å; E212-Q215 PolarHBondContact O-N 2.94Å; F213-Q215 VanDerWaalsContact C-N 3.29Å; F213-Q215 PolarHBondContact O-N 3.49Å; Q215-L218 PolarHBondContact O-N 3.23Å; Q215-R219 WeakPolarHBondContact O-CB 3.38Å; Q215-R219 PolarHBondContact O-N 2.7Å
216	E	95.9	Very high	95.3	Very high	29 Å²	29	54.8 Å²	54.8	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-41.2	178	-178.7	61	-171.7	0	0	112	Q148 P178 E212 F213 P214 L218 R219 M220	Q148-E216 WeakPolarHBondContact CG-OE1 3.45Å; Q148-E216 VanDerWaalsContact NE2-CG 3.33Å; Q148-E216 PolarHBondContact NE2-OE1 3.44Å; P178-E216 HydrophobicContact CB-CB 4.04Å; P178-E216 HydrophobicContact CB-CG 4.06Å; P178-E216 HydrophobicContact CG-CB 3.61Å; P178-E216 HydrophobicContact CG-CG 4.01Å; E212-E216 WeakPolarHBondContact O-CB 3.42Å; E212-E216 PolarHBondContact O-N 2.99Å; F213-E216 PolarHBondContact O-N 3.03Å; P214-E216 PolarHBondContact O-N 3.44Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 2.94Å; E216-R219 WeakPolarHBondContact O-CB 3.31Å; E216-R219 PolarHBondContact O-N 3.09Å; E216-R219 IonicContact OE1-CZ 2.75Å; E216-R219 IonicContact OE1-NE 3.81Å; E216-R219 PolarHBondContact OE1-NE 2.84Å; E216-R219 IonicContact OE1-NH2 2.73Å; E216-R219 PolarHBondContact OE1-NH2 3.34Å; E216-R219 IonicContact OE2-CZ 2.59Å; E216-R219 IonicContact OE2-NE 3.18Å; E216-R219 PolarHBondContact OE2-NE 3.09Å; E216-R219 IonicContact OE2-NH2 3.58Å; E216-R219 PolarHBondContact OE2-NH2 3.2Å; E216-M220 HydrophobicContact CG-CG 4.47Å; E216-M220 WeakPolarHBondContact O-CB 3.29Å; E216-M220 VanDerWaalsContact O-CG 3.29Å; E216-M220 WeakPolarHBondContact O-CG 3.41Å; E216-M220 PolarHBondContact O-N 2.83Å
217	M	96.8	Very high	95.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-44	176.6	-63.7	-53.2	106.1	0	0	110.6	I175 I190 F202 F213 P214 M220 G221 I222	I175-M217 HydrophobicContact CD1-CE 3.8Å; I175-M217 HydrophobicContact CD1-SD 3.41Å; I175-M217 WeakPolarHBondContact CD1-SD 3.4Å; I175-M217 HydrophobicContact CG1-CE 3.92Å; I175-M217 HydrophobicContact CG1-SD 3.96Å; I175-M217 HydrophobicContact CG2-SD 4.32Å; I190-M217 HydrophobicContact CG2-CG 4.26Å; I190-M217 HydrophobicContact CG2-SD 3.76Å; F202-M217 HydrophobicContact CE1-CB 3.82Å; F202-M217 HydrophobicContact CE1-CG 3.81Å; F202-M217 HydrophobicContact CZ-CB 4Å; F202-M217 HydrophobicContact CZ-CG 3.78Å; F213-M217 HydrophobicContact CD1-CG 4.05Å; F213-M217 HydrophobicContact CD2-CE 4.29Å; F213-M217 HydrophobicContact CE1-CG 3.8Å; F213-M217 HydrophobicContact CE2-CE 4.14Å; F213-M217 HydrophobicContact CE2-CG 4.39Å; F213-M217 HydrophobicContact CE2-SD 4.26Å; F213-M217 HydrophobicContact CG-CG 4.46Å; F213-M217 HydrophobicContact CZ-CG 3.99Å; F213-M217 HydrophobicContact CZ-SD 4.13Å; F213-M217 VanDerWaalsContact O-CG 3.25Å; F213-M217 WeakPolarHBondContact O-CG 3.37Å; F213-M217 PolarHBondContact O-N 2.89Å; P214-M217 PolarHBondContact O-N 2.97Å; M217-M220 CarbonylContact O-C 3.55Å; M217-M220 PolarHBondContact O-N 2.69Å; M217-G221 PolarHBondContact O-N 3.06Å; M217-G221 VanDerWaalsContact O-N 3.12Å; M217-I222 HydrophobicContact CB-CB 3.96Å; M217-I222 HydrophobicContact CB-CG1 4Å; M217-I222 HydrophobicContact CB-CG2 4.41Å; M217-I222 VanDerWaalsContact O-CB 3.29Å; M217-I222 WeakPolarHBondContact O-CB 3.36Å; M217-I222 WeakPolarHBondContact O-CG1 3.43Å; M217-I222 PolarHBondContact O-N 3.5Å; M217-I222 HydrophobicContact SD-CG1 4.45Å
218	L	96.6	Very high	94.9	Very high	30 Å²	30	55.9 Å²	55.9	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-47.4	173.3	-73.8	170.2	0	0	0	112.2	F134 P214 Q215 E216 M220 G221 I224	F134-L218 HydrophobicContact CB-CD1 4.48Å; F134-L218 HydrophobicContact CB-CD2 4.4Å; F134-L218 HydrophobicContact CD1-CB 3.76Å; F134-L218 WeakPolarHBondContact CD1-O 2.83Å; F134-L218 HydrophobicContact CE1-CB 4.24Å; F134-L218 VanDerWaalsContact CE1-O 3.24Å; F134-L218 WeakPolarHBondContact CE1-O 3.45Å; F134-L218 HydrophobicContact CG-CB 4.29Å; P214-L218 WeakPolarHBondContact O-CB 3.49Å; P214-L218 WeakPolarHBondContact O-CG 3.44Å; P214-L218 PolarHBondContact O-N 3.19Å; Q215-L218 PolarHBondContact O-N 3.23Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 2.94Å; L218-M220 PolarHBondContact O-N 3.43Å; L218-G221 WeakPolarHBondContact O-CA 3.27Å; L218-G221 PolarHBondContact O-N 2.84Å; L218-I224 HydrophobicContact CD1-CD1 4.15Å; L218-I224 HydrophobicContact CD2-CB 4.25Å; L218-I224 HydrophobicContact CD2-CD1 3.78Å; L218-I224 HydrophobicContact CD2-CG1 3.94Å; L218-I224 HydrophobicContact CG-CD1 3.63Å; L218-I224 HydrophobicContact CG-CG1 4.33Å
219	R	96.2	Very high	94.7	Very high	81 Å²	81	51.6 Å²	51.6	31%	0.306	24%	0.241	S	C	.	.	H	α-helix	trans	-55.1	-38.5	176.8	-169.9	-173.7	74	90.6	1	111.1	Q132 A147 Q215 E216 G221	Q132-R219 PolarHBondContact NE2-O 3.03Å; A147-R219 PolarHBondContact O-NH2 3.32Å; A147-R219 VanDerWaalsContact O-NH2 3.09Å; Q215-R219 WeakPolarHBondContact O-CB 3.38Å; Q215-R219 PolarHBondContact O-N 2.7Å; E216-R219 WeakPolarHBondContact O-CB 3.31Å; E216-R219 PolarHBondContact O-N 3.09Å; E216-R219 IonicContact OE1-CZ 2.75Å; E216-R219 IonicContact OE1-NE 3.81Å; E216-R219 PolarHBondContact OE1-NE 2.84Å; E216-R219 IonicContact OE1-NH2 2.73Å; E216-R219 PolarHBondContact OE1-NH2 3.34Å; E216-R219 IonicContact OE2-CZ 2.59Å; E216-R219 IonicContact OE2-NE 3.18Å; E216-R219 PolarHBondContact OE2-NE 3.09Å; E216-R219 IonicContact OE2-NH2 3.58Å; E216-R219 PolarHBondContact OE2-NH2 3.2Å; R219-G221 VanDerWaalsContact C-N 3.28Å; R219-G221 PolarHBondContact O-N 3.47Å
220	M	96	Very high	94.4	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.025	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.3	178.4	-65.9	-54.7	-67.6	0	0	113	L130 P146 Q148 I175 R187 E216 M217 L218	L130-M220 HydrophobicContact CD1-CE 4.44Å; L130-M220 WeakPolarHBondContact CD1-O 3.49Å; P146-M220 HydrophobicContact CB-SD 4.09Å; Q148-M220 HydrophobicContact CG-CE 3.92Å; Q148-M220 HydrophobicContact CG-CG 4.06Å; Q148-M220 HydrophobicContact CG-SD 3.89Å; I175-M220 HydrophobicContact CD1-CB 3.55Å; I175-M220 HydrophobicContact CD1-CG 4.13Å; I175-M220 HydrophobicContact CG1-CB 4.45Å; R187-M220 PolarHBondContact NH2-O 3.25Å; E216-M220 HydrophobicContact CG-CG 4.47Å; E216-M220 WeakPolarHBondContact O-CB 3.29Å; E216-M220 VanDerWaalsContact O-CG 3.29Å; E216-M220 WeakPolarHBondContact O-CG 3.41Å; E216-M220 PolarHBondContact O-N 2.83Å; M217-M220 CarbonylContact O-C 3.55Å; M217-M220 PolarHBondContact O-N 2.69Å; L218-M220 PolarHBondContact O-N 3.43Å
221	G	95.7	Very high	93.9	Very high	15 Å²	15	49.7 Å²	49.7	16%	0.155	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	20.1	172	0	0	0	0	0	114.9	S131 M217 L218 R219	S131-G221 WeakPolarHBondContact O-CA 3.45Å; M217-G221 PolarHBondContact O-N 3.06Å; M217-G221 VanDerWaalsContact O-N 3.12Å; L218-G221 WeakPolarHBondContact O-CA 3.27Å; L218-G221 PolarHBondContact O-N 2.84Å; R219-G221 VanDerWaalsContact C-N 3.28Å; R219-G221 PolarHBondContact O-N 3.47Å
222	I	96.6	Very high	93.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.223	C	C	.	.			trans	-71.7	125.7	162.8	-58.6	-61.4	0	0	0	107.7	I175 I190 Q191 A194 F202 M217 I224	I175-I222 HydrophobicContact CD1-CD1 4.46Å; I175-I222 HydrophobicContact CD1-CG1 4.01Å; I190-I222 HydrophobicContact CB-CD1 4.4Å; I190-I222 HydrophobicContact CG2-CD1 3.86Å; I190-I222 HydrophobicContact CG2-CG1 3.79Å; I190-I222 HydrophobicContact CG2-CG2 4.03Å; Q191-I222 HydrophobicContact CB-CD1 4.31Å; A194-I222 HydrophobicContact CB-CG2 3.69Å; F202-I222 HydrophobicContact CZ-CG2 4.46Å; M217-I222 HydrophobicContact CB-CB 3.96Å; M217-I222 HydrophobicContact CB-CG1 4Å; M217-I222 HydrophobicContact CB-CG2 4.41Å; M217-I222 VanDerWaalsContact O-CB 3.29Å; M217-I222 WeakPolarHBondContact O-CB 3.36Å; M217-I222 WeakPolarHBondContact O-CG1 3.43Å; M217-I222 PolarHBondContact O-N 3.5Å; M217-I222 HydrophobicContact SD-CG1 4.45Å; I222-I224 HydrophobicContact CG2-CG1 4.44Å
223	H	95.9	Very high	92.9	Very high	29 Å²	29	45.9 Å²	45.9	13%	0.134	23%	0.225	C	C	.	.			trans	-81.1	122.1	173.3	175.7	-124.5	0	0	0	110	F60 F133 Q191	F60-H223 AromaticContact CE1-CE1 3.57Å; F60-H223 AromaticContact CE1-ND1 3.74Å; F60-H223 AromaticContact CE1-NE2 3.92Å; F60-H223 HydrophobicContact CZ-CB 4.47Å; F60-H223 AromaticContact CZ-CE1 3.61Å; F60-H223 AromaticContact CZ-CG 3.86Å; F60-H223 AromaticContact CZ-ND1 3.31Å; F60-H223 VanDerWaalsContact CZ-ND1 3.31Å; F60-H223 WeakPolarHBondContact CZ-ND1 3.21Å; F133-H223 HydrophobicContact CB-CB 4.24Å; F133-H223 HydrophobicContact CD1-CB 4.25Å; F133-H223 AromaticContact CD1-CD2 3.84Å; F133-H223 HydrophobicContact CD2-CB 3.65Å; F133-H223 HydrophobicContact CE2-CB 3.99Å; F133-H223 HydrophobicContact CG-CB 3.79Å; F133-H223 AromaticContact CG-CD2 3.77Å; F133-H223 HydrophobicContact CZ-CB 4.42Å; Q191-H223 PolarHBondContact NE2-O 2.86Å
224	I	95.6	Very high	92.2	Very high	24 Å²	24	51.8 Å²	51.8	12%	0.123	25%	0.253	C	S	.	.			trans	-110.3	108	173.9	-52.4	170.1	0	0	0	107	A194 K199 F202 P214 L218 I222	A194-I224 HydrophobicContact CB-CG1 4.16Å; K199-I224 HydrophobicContact CB-CG2 4.29Å; F202-I224 HydrophobicContact CB-CG2 4.11Å; F202-I224 HydrophobicContact CD1-CD1 3.33Å; F202-I224 HydrophobicContact CD1-CG1 3.94Å; F202-I224 HydrophobicContact CD1-CG2 4.44Å; F202-I224 HydrophobicContact CE1-CD1 3.44Å; F202-I224 VanDerWaalsContact CE1-CD1 3.44Å; F202-I224 HydrophobicContact CE1-CG1 3.96Å; F202-I224 HydrophobicContact CG-CD1 4.22Å; F202-I224 HydrophobicContact CG-CG1 4.44Å; F202-I224 HydrophobicContact CG-CG2 4.35Å; F202-I224 HydrophobicContact CZ-CD1 4.39Å; F202-I224 HydrophobicContact CZ-CG1 4.49Å; P214-I224 HydrophobicContact CB-CD1 4.26Å; L218-I224 HydrophobicContact CD1-CD1 4.15Å; L218-I224 HydrophobicContact CD2-CB 4.25Å; L218-I224 HydrophobicContact CD2-CD1 3.78Å; L218-I224 HydrophobicContact CD2-CG1 3.94Å; L218-I224 HydrophobicContact CG-CD1 3.63Å; L218-I224 HydrophobicContact CG-CG1 4.33Å; I222-I224 HydrophobicContact CG2-CG1 4.44Å
225	P	92.8	Very high	91.4	Very high	12 Å²	12	57.5 Å²	57.5	8%	0.078	29%	0.29	C	S	.	.			trans	-71.4	141.6	-176.3	31	-35.3	0	0	0	111.2	A194 A198 K199 R227	A194-P225 WeakPolarHBondContact O-CD 3.48Å; A198-P225 HydrophobicContact CB-CG 4.21Å; K199-P225 PolarHBondContact N-O 2.86Å; P225-R227 HydrophobicContact CB-CG 4.09Å; P225-R227 HydrophobicContact CG-CG 4.35Å; P225-R227 PolarHBondContact O-N 3.29Å
226	D	90.8	Very high	90.5	Very high	110 Å²	110	54 Å²	54	59%	0.588	28%	0.284	S	S	*	.	S	Bend	trans	-90.3	83.9	174.2	-155.4	-11.8	0	0	0	109.3	K199	K199-D226 HydrophobicContact CD-CB 4.2Å; K199-D226 VanDerWaalsContact CD-CG 3.46Å; K199-D226 WeakPolarHBondContact CD-OD1 3.12Å; K199-D226 WeakPolarHBondContact CD-OD2 3.32Å; K199-D226 IonicContact NZ-OD1 3.39Å; K199-D226 IonicContact NZ-OD2 2.7Å; K199-D226 PolarHBondContact NZ-OD2 3.27Å
227	R	89.9	Confident	89.4	Confident	97 Å²	97	54.3 Å²	54.3	37%	0.366	29%	0.293	S	S	.	.	S	Bend	trans	-158.2	172.3	178.6	61.8	175.3	-171	-171	1.3	109.1	H195 A198 P225	H195-R227 PolarHBondContact CD2-NH2 3.3Å; H195-R227 VanDerWaalsContact CD2-NH2 3.26Å; H195-R227 PolarHBondContact CE1-NH2 3.22Å; H195-R227 PolarHBondContact NE2-NH2 2.79Å; H195-R227 PolarHBondContact O-NH2 3.4Å; A198-R227 HydrophobicContact CB-CG 4.13Å; A198-R227 WeakPolarHBondContact CB-O 3.45Å; P225-R227 HydrophobicContact CB-CG 4.09Å; P225-R227 HydrophobicContact CG-CG 4.35Å; P225-R227 PolarHBondContact O-N 3.29Å
228	D	89.1	Confident	88.3	Confident	88 Å²	88	59.2 Å²	59.2	47%	0.471	31%	0.314	S	S	.	.			trans	-61.2	154	170.2	-60.6	-28.4	0	0	0	110.9	E232 L233	D228-E232 HydrophobicContact CB-CB 4.35Å; D228-L233 HydrophobicContact CB-CD2 4.08Å; D228-L233 HydrophobicContact CB-CG 4.22Å
229	A	90.3	Very high	87.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.326	C	S	.	.			trans	-63.7	149.5	178.7	0	0	0	0	0	110.3	T196 F201 W231 E232 L233	T196-A229 WeakPolarHBondContact O-CA 3.43Å; F201-A229 HydrophobicContact CD2-CB 3.76Å; F201-A229 HydrophobicContact CE2-CB 4.1Å; A229-W231 HydrophobicContact CB-CD2 3.64Å; A229-W231 HydrophobicContact CB-CE3 4.04Å; A229-W231 HydrophobicContact CB-CG 4.25Å; A229-W231 HydrophobicContact CB-CH2 3.82Å; A229-W231 HydrophobicContact CB-CZ2 3.35Å; A229-W231 HydrophobicContact CB-CZ3 4.12Å; A229-W231 PolarHBondContact O-N 2.81Å; A229-W231 VanDerWaalsContact O-N 3.15Å; A229-E232 HydrophobicContact CB-CG 4.23Å; A229-E232 PolarHBondContact N-OE2 3.15Å; A229-E232 WeakPolarHBondContact O-CB 3.49Å; A229-E232 PolarHBondContact O-N 3.39Å; A229-L233 PolarHBondContact O-N 3.48Å
230	A	89.4	Confident	86.2	Confident	33 Å²	33	62.2 Å²	62.2	27%	0.273	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57.8	-35.3	-175.2	0	0	0	0	0	112.3	T196 E232 L233 E234	T196-A230 HydrophobicContact CG2-CB 4.02Å; T196-A230 PolarHBondContact O-N 3.22Å; A230-E232 VanDerWaalsContact C-N 3.29Å; A230-E232 PolarHBondContact O-N 3.09Å; A230-L233 PolarHBondContact O-N 3.19Å; A230-E234 PolarHBondContact O-N 3.25Å
231	W	86	Confident	85.1	Confident	107 Å²	107	68.7 Å²	68.7	41%	0.405	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-70.6	-19.7	176.9	59.1	78.1	0	0	0	113.9	T196 S197 F201 A229 L233 A237	T196-W231 HydrophobicContact CG2-CE3 3.75Å; T196-W231 HydrophobicContact CG2-CZ3 3.81Å; T196-W231 WeakPolarHBondContact O-CZ3 3.28Å; S197-W231 VanDerWaalsContact CA-CH2 3.42Å; F201-W231 HydrophobicContact CB-CH2 3.96Å; F201-W231 HydrophobicContact CB-CZ2 3.81Å; F201-W231 HydrophobicContact CD1-CZ2 4.22Å; F201-W231 AromaticContact CD2-CZ2 3.96Å; F201-W231 HydrophobicContact CD2-CZ2 3.96Å; F201-W231 HydrophobicContact CG-CH2 4.39Å; F201-W231 AromaticContact CG-CZ2 3.74Å; F201-W231 HydrophobicContact CG-CZ2 3.74Å; A229-W231 HydrophobicContact CB-CD2 3.64Å; A229-W231 HydrophobicContact CB-CE3 4.04Å; A229-W231 HydrophobicContact CB-CG 4.25Å; A229-W231 HydrophobicContact CB-CH2 3.82Å; A229-W231 HydrophobicContact CB-CZ2 3.35Å; A229-W231 HydrophobicContact CB-CZ3 4.12Å; A229-W231 PolarHBondContact O-N 2.81Å; A229-W231 VanDerWaalsContact O-N 3.15Å; W231-L233 VanDerWaalsContact C-N 3.31Å; W231-A237 VanDerWaalsContact O-CB 3.27Å; W231-A237 WeakPolarHBondContact O-CB 3.4Å
232	E	85.6	Confident	84.1	Confident	63 Å²	63	77 Å²	77	29%	0.294	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-80.3	-19.5	174.3	-62.2	178.1	142.1	0	0	111.8	F201 D228 A229 A230	F201-E232 WeakPolarHBondContact CE2-OE1 3.21Å; F201-E232 VanDerWaalsContact CZ-OE1 3.28Å; F201-E232 WeakPolarHBondContact CZ-OE1 3.25Å; D228-E232 HydrophobicContact CB-CB 4.35Å; A229-E232 HydrophobicContact CB-CG 4.23Å; A229-E232 PolarHBondContact N-OE2 3.15Å; A229-E232 WeakPolarHBondContact O-CB 3.49Å; A229-E232 PolarHBondContact O-N 3.39Å; A230-E232 VanDerWaalsContact C-N 3.29Å; A230-E232 PolarHBondContact O-N 3.09Å
233	L	82.3	Confident	83.1	Confident	100 Å²	100	83.4 Å²	83.4	52%	0.524	43%	0.433	S	S	.	.	S	Bend	trans	-95.6	-4.1	-178.7	-60	175.5	0	0	0	112.9	D228 A229 A230 W231	D228-L233 HydrophobicContact CB-CD2 4.08Å; D228-L233 HydrophobicContact CB-CG 4.22Å; A229-L233 PolarHBondContact O-N 3.48Å; A230-L233 PolarHBondContact O-N 3.19Å; W231-L233 VanDerWaalsContact C-N 3.31Å
234	E	82.1	Confident	82.4	Confident	125 Å²	125	90.8 Å²	90.8	58%	0.584	46%	0.459	S	S	*	.	S	Bend	trans	-64.9	130.3	178	-74.5	-173.6	172.1	0	0	110.4	A230 G236 A237	A230-E234 PolarHBondContact O-N 3.25Å; E234-G236 PolarHBondContact O-N 3.17Å; E234-A237 HydrophobicContact CB-CB 4.09Å; E234-A237 VanDerWaalsContact O-CB 3.28Å; E234-A237 WeakPolarHBondContact O-CB 3.14Å; E234-A237 PolarHBondContact O-N 3.15Å
235	P	79.8	Confident	82	Confident	139 Å²	139	93.1 Å²	93.1	90%	0.903	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	115.2	178.4	-24.2	33.9	0	0	0	110.8
236	G	77.2	Confident	82	Confident	42 Å²	42	97.7 Å²	97.7	43%	0.433	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	21.2	-176.5	0	0	0	0	0	114.7	E234 F238 S239	E234-G236 PolarHBondContact O-N 3.17Å; G236-F238 PolarHBondContact O-N 3.31Å; G236-S239 WeakPolarHBondContact CA-OG 3.3Å; G236-S239 VanDerWaalsContact O-CB 3.22Å; G236-S239 WeakPolarHBondContact O-CB 3.29Å; G236-S239 PolarHBondContact O-N 3.18Å; G236-S239 PolarHBondContact O-OG 2.84Å; G236-S239 VanDerWaalsContact O-OG 3.11Å
237	A	71.7	Confident	82.1	Confident	37 Å²	37	95.2 Å²	95.2	31%	0.306	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-25.4	175.5	0	0	0	0	0	114.4	W231 E234	W231-A237 VanDerWaalsContact O-CB 3.27Å; W231-A237 WeakPolarHBondContact O-CB 3.4Å; E234-A237 HydrophobicContact CB-CB 4.09Å; E234-A237 VanDerWaalsContact O-CB 3.28Å; E234-A237 WeakPolarHBondContact O-CB 3.14Å; E234-A237 PolarHBondContact O-N 3.15Å
238	F	73.8	Confident	82.3	Confident	102 Å²	102	90.6 Å²	90.6	45%	0.447	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	4.6	179.9	-50.6	-67.3	0	0	0	113	G236 D240 L241 Y242	G236-F238 PolarHBondContact O-N 3.31Å; F238-D240 PolarHBondContact O-N 3.04Å; F238-L241 HydrophobicContact CB-CD1 4.11Å; F238-L241 HydrophobicContact CD1-CD1 3.75Å; F238-L241 HydrophobicContact CG-CD1 4.39Å; F238-L241 VanDerWaalsContact O-CB 3.32Å; F238-L241 WeakPolarHBondContact O-CB 2.99Å; F238-L241 PolarHBondContact O-N 2.96Å; F238-Y242 HydrophobicContact CB-CE2 4.11Å; F238-Y242 WeakPolarHBondContact O-CD2 3.46Å; F238-Y242 WeakPolarHBondContact O-CE2 3.25Å; F238-Y242 PolarHBondContact O-N 3.09Å
239	S	77.2	Confident	82.5	Confident	59 Å²	59	88.9 Å²	88.9	41%	0.413	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-56.5	-40.2	-178.2	-68.1	0	0	0	0	111.8	G236 L241 Y242 Q243	G236-S239 WeakPolarHBondContact CA-OG 3.3Å; G236-S239 VanDerWaalsContact O-CB 3.22Å; G236-S239 WeakPolarHBondContact O-CB 3.29Å; G236-S239 PolarHBondContact O-N 3.18Å; G236-S239 PolarHBondContact O-OG 2.84Å; G236-S239 VanDerWaalsContact O-OG 3.11Å; S239-L241 VanDerWaalsContact C-N 3.28Å; S239-L241 PolarHBondContact O-N 2.81Å; S239-Y242 WeakPolarHBondContact O-CB 3.33Å; S239-Y242 PolarHBondContact O-N 3.26Å; S239-Q243 PolarHBondContact O-N 3.29Å
240	D	72.9	Confident	82.5	Confident	115 Å²	115	89.2 Å²	89.2	62%	0.615	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-69.1	-27.2	179.7	-60.1	-18.5	0	0	0	111.9	F238 Y242 Q243	F238-D240 PolarHBondContact O-N 3.04Å; D240-Y242 PolarHBondContact O-N 3.46Å; D240-Q243 WeakPolarHBondContact O-CB 3.48Å; D240-Q243 PolarHBondContact O-N 3.33Å; D240-Q243 VanDerWaalsContact O-N 3.08Å; D240-Q243 PolarHBondContact OD1-NE2 3.43Å
241	L	73.4	Confident	82.5	Confident	141 Å²	141	93.7 Å²	93.7	74%	0.738	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-67.3	-22.9	172.5	-57.8	-179.6	0	0	0	112.3	F238 S239	F238-L241 HydrophobicContact CB-CD1 4.11Å; F238-L241 HydrophobicContact CD1-CD1 3.75Å; F238-L241 HydrophobicContact CG-CD1 4.39Å; F238-L241 VanDerWaalsContact O-CB 3.32Å; F238-L241 WeakPolarHBondContact O-CB 2.99Å; F238-L241 PolarHBondContact O-N 2.96Å; S239-L241 VanDerWaalsContact C-N 3.28Å; S239-L241 PolarHBondContact O-N 2.81Å
242	Y	72.9	Confident	82.8	Confident	189 Å²	189	94.7 Å²	94.7	74%	0.741	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-89.5	-10.4	173.8	-58.4	-73.5	0	0	0	112.7	F238 S239 D240 R244	F238-Y242 HydrophobicContact CB-CE2 4.11Å; F238-Y242 WeakPolarHBondContact O-CD2 3.46Å; F238-Y242 WeakPolarHBondContact O-CE2 3.25Å; F238-Y242 PolarHBondContact O-N 3.09Å; S239-Y242 WeakPolarHBondContact O-CB 3.33Å; S239-Y242 PolarHBondContact O-N 3.26Å; D240-Y242 PolarHBondContact O-N 3.46Å; Y242-R244 VanDerWaalsContact C-N 3.32Å; Y242-R244 PolarHBondContact O-N 2.75Å
243	Q	76.4	Confident	83.1	Confident	140 Å²	140	93.2 Å²	93.2	65%	0.654	48%	0.483	S	S	*	.			trans	-77	89.1	173.1	-68.7	-175.8	16.6	0	0	109.2	S239 D240	S239-Q243 PolarHBondContact O-N 3.29Å; D240-Q243 WeakPolarHBondContact O-CB 3.48Å; D240-Q243 PolarHBondContact O-N 3.33Å; D240-Q243 VanDerWaalsContact O-N 3.08Å; D240-Q243 PolarHBondContact OD1-NE2 3.43Å
244	R	81	Confident	83.6	Confident	183 Å²	183	93 Å²	93	69%	0.691	48%	0.482	S	S	*	.			trans	-68.8	139	167.6	-169.9	165.1	-163.9	176.3	3.6	108.8	Y242 Q246 L272	Y242-R244 VanDerWaalsContact C-N 3.32Å; Y242-R244 PolarHBondContact O-N 2.75Å; R244-Q246 WeakPolarHBondContact O-CG 3.46Å; R244-Q246 PolarHBondContact O-N 3.08Å; R244-L272 HydrophobicContact CG-CD1 3.47Å; R244-L272 VanDerWaalsContact CG-CD1 3.47Å
245	Y	87.9	Confident	84.2	Confident	74 Å²	74	88.3 Å²	88.3	29%	0.29	46%	0.459	S	S	.	.			trans	-53.9	136.4	177.3	-165.5	-100.6	0	0	0	111.3	H247 D249 L270 L272 G277 S278 G280	Y245-H247 HydrophobicContact CE1-CB 3.75Å; Y245-H247 WeakPolarHBondContact CE1-O 3.28Å; Y245-D249 WeakPolarHBondContact CE1-OD2 3.3Å; Y245-D249 VanDerWaalsContact OH-CG 3.24Å; Y245-D249 PolarHBondContact OH-OD1 3.43Å; Y245-D249 PolarHBondContact OH-OD2 2.8Å; Y245-L270 WeakPolarHBondContact O-CD2 3.23Å; Y245-L272 HydrophobicContact CD1-CD2 4.08Å; Y245-L272 HydrophobicContact CG-CD2 4.49Å; Y245-G277 WeakPolarHBondContact CB-O 3.27Å; Y245-S278 WeakPolarHBondContact CD2-O 3.42Å; Y245-S278 WeakPolarHBondContact CE2-O 3.37Å; Y245-G280 VanDerWaalsContact CE1-N 3.28Å
246	Q	91.6	Very high	84.7	Confident	107 Å²	107	90.5 Å²	90.5	50%	0.5	46%	0.457	S	S	.	.			trans	-127	5.1	-169.1	-56.5	-158.1	-7.3	0	0	114.3	R244 F262 L270	R244-Q246 WeakPolarHBondContact O-CG 3.46Å; R244-Q246 PolarHBondContact O-N 3.08Å; Q246-F262 HydrophobicContact CB-CE1 3.94Å; Q246-F262 HydrophobicContact CG-CE1 4.33Å; Q246-F262 HydrophobicContact CG-CZ 4.48Å; Q246-L270 VanDerWaalsContact C-CD2 3.48Å; Q246-L270 VanDerWaalsContact CA-CD2 3.44Å
247	H	93.6	Very high	85.5	Confident	58 Å²	58	93.6 Å²	93.6	27%	0.269	46%	0.46	S	S	.	.			trans	-105.2	146.5	-174.2	-164.5	78.6	0	0	0	112	Y245 D249 R259 D260 G280	Y245-H247 HydrophobicContact CE1-CB 3.75Å; Y245-H247 WeakPolarHBondContact CE1-O 3.28Å; H247-D249 IonicContact CD2-OD1 3.33Å; H247-D249 PolarHBondContact CD2-OD1 3.16Å; H247-R259 WeakPolarHBondContact CE1-CB 3.38Å; H247-R259 WeakPolarHBondContact NE2-CD 3.24Å; H247-D260 IonicContact CE1-OD1 3.64Å; H247-D260 IonicContact CG-OD1 2.76Å; H247-D260 IonicContact ND1-OD1 3.14Å; H247-D260 PolarHBondContact ND1-OD1 3.04Å; H247-D260 IonicContact ND1-OD2 2.65Å; H247-G280 CarbonylContact O-C 3.5Å; H247-G280 WeakPolarHBondContact O-CA 3.48Å
248	C	94	Very high	86.5	Confident	0 Å²	0	93.3 Å²	93.3	0%	0	46%	0.461	C	S	.	.			trans	-92.4	111.1	170	179.6	0	0	0	0	111	A250 R259 L270 H282	C248-A250 VanDerWaalsContact C-N 3.33Å; C248-R259 HydrophobicContact CB-CB 4.24Å; C248-R259 PolarHBondContact N-O 3.31Å; C248-R259 PolarHBondContact O-NH1 3.15Å; C248-L270 HydrophobicContact CB-CD1 4.41Å; C248-H282 VanDerWaalsContact CB-CE1 3.48Å; C248-H282 WeakPolarHBondContact CB-CE1 3.32Å; C248-H282 WeakPolarHBondContact CB-ND1 3.3Å; C248-H282 PolarHBondContact SG-N 2.89Å; C248-H282 PolarHBondContact SG-ND1 3.49Å
249	D	93.8	Very high	87.5	Confident	52 Å²	52	92.1 Å²	92.1	28%	0.278	45%	0.453	S	S	.	.			trans	-88.3	2.5	-177.6	-55	-43.5	0	0	0	113.5	Y245 H247 H279 G280	Y245-D249 WeakPolarHBondContact CE1-OD2 3.3Å; Y245-D249 VanDerWaalsContact OH-CG 3.24Å; Y245-D249 PolarHBondContact OH-OD1 3.43Å; Y245-D249 PolarHBondContact OH-OD2 2.8Å; H247-D249 IonicContact CD2-OD1 3.33Å; H247-D249 PolarHBondContact CD2-OD1 3.16Å; D249-H279 WeakPolarHBondContact OD2-CA 3.45Å; D249-H279 WeakPolarHBondContact OD2-CB 3.38Å; D249-H279 IonicContact OD2-CD2 3.49Å; D249-H279 PolarHBondContact OD2-CD2 2.97Å; D249-H279 VanDerWaalsContact OD2-CD2 3.32Å; D249-H279 IonicContact OD2-CG 3.48Å; D249-G280 WeakPolarHBondContact CB-O 3.22Å; D249-G280 PolarHBondContact N-O 3.25Å; D249-G280 PolarHBondContact OD2-N 2.99Å
250	A	90.5	Very high	88.3	Confident	7 Å²	7	94.3 Å²	94.3	6%	0.058	46%	0.46	C	S	.	.			trans	-57	137.6	178.7	0	0	0	0	0	110.6	C248 I252 R259 C285	C248-A250 VanDerWaalsContact C-N 3.33Å; A250-I252 PolarHBondContact O-N 3.17Å; A250-R259 PolarHBondContact O-NH1 2.74Å; A250-R259 PolarHBondContact O-NH2 2.98Å; A250-C285 HydrophobicContact CB-CB 3.49Å; A250-C285 VanDerWaalsContact CB-CB 3.49Å
251	P	89.2	Confident	89.2	Confident	128 Å²	128	91.1 Å²	91.1	83%	0.831	45%	0.447	S	S	*	.	S	Bend	trans	-50.9	-38.4	-179.7	-29.3	34.8	0	0	0	112.7	R259	P251-R259 PolarHBondContact O-NH2 3.24Å
252	I	91.1	Very high	90.1	Very high	128 Å²	128	88.2 Å²	88.2	66%	0.656	43%	0.429	S	S	*	.	S	Bend	trans	-122.7	114.3	173.6	-56.3	174.2	0	0	0	108.4	A250 L254	A250-I252 PolarHBondContact O-N 3.17Å; I252-L254 HydrophobicContact CG2-CD2 4.13Å
253	C	93.6	Very high	91	Very high	31 Å²	31	83.2 Å²	83.2	21%	0.209	41%	0.412	C	S	.	.			trans	-82.7	126	171.4	-175.2	0	0	0	0	109.7	R259	C253-R259 HydrophobicContact CB-CG 3.7Å
254	L	92	Very high	91.4	Very high	95 Å²	95	84.3 Å²	84.3	50%	0.497	42%	0.422	S	S	.	.			trans	-92.8	-6.4	180	-57.1	177.4	0	0	0	113	I252 W268 C285	I252-L254 HydrophobicContact CG2-CD2 4.13Å; L254-W268 HydrophobicContact CB-CH2 3.86Å; L254-W268 HydrophobicContact CB-CZ3 3.88Å; L254-W268 VanDerWaalsContact O-CH2 3.29Å; L254-W268 WeakPolarHBondContact O-CH2 3.38Å; L254-C285 PolarHBondContact N-SG 2.82Å
255	Y	93.6	Very high	91.6	Very high	27 Å²	27	83.4 Å²	83.4	11%	0.106	43%	0.426	C	S	.	.			trans	-87.3	121.6	-175.8	-165.5	-144.3	0	0	0	111.4	Q257 G258 S261 W268 H282	Y255-Q257 VanDerWaalsContact C-N 3.27Å; Y255-Q257 HydrophobicContact CD1-CB 4.04Å; Y255-Q257 HydrophobicContact CE1-CB 3.63Å; Y255-Q257 HydrophobicContact CE1-CG 4.27Å; Y255-Q257 HydrophobicContact CE2-CB 4.31Å; Y255-Q257 VanDerWaalsContact CE2-CD 3.48Å; Y255-Q257 HydrophobicContact CE2-CG 4.24Å; Y255-Q257 VanDerWaalsContact CZ-OE1 3.24Å; Y255-Q257 PolarHBondContact O-N 3.19Å; Y255-G258 WeakPolarHBondContact CD1-O 3.47Å; Y255-G258 PolarHBondContact O-N 3.39Å; Y255-S261 VanDerWaalsContact CD1-O 3.23Å; Y255-S261 WeakPolarHBondContact CD1-O 3.46Å; Y255-S261 VanDerWaalsContact CE1-O 3.25Å; Y255-S261 WeakPolarHBondContact CE1-O 3.37Å; Y255-W268 HydrophobicContact CD1-CB 4.45Å; Y255-W268 HydrophobicContact CD2-CB 3.93Å; Y255-W268 AromaticContact CD2-CD1 3.78Å; Y255-W268 AromaticContact CD2-CD2 3.22Å; Y255-W268 HydrophobicContact CD2-CD2 3.22Å; Y255-W268 AromaticContact CD2-CE2 3.58Å; Y255-W268 AromaticContact CD2-CE3 3.56Å; Y255-W268 HydrophobicContact CD2-CE3 3.56Å; Y255-W268 AromaticContact CD2-CG 3.39Å; Y255-W268 HydrophobicContact CD2-CG 3.39Å; Y255-W268 HydrophobicContact CD2-CH2 4.46Å; Y255-W268 HydrophobicContact CD2-CZ2 4.19Å; Y255-W268 HydrophobicContact CD2-CZ3 4.18Å; Y255-W268 AromaticContact CD2-NE1 3.86Å; Y255-W268 HydrophobicContact CE1-CB 4.25Å; Y255-W268 HydrophobicContact CE2-CB 3.7Å; Y255-W268 AromaticContact CE2-CD1 3.42Å; Y255-W268 VanDerWaalsContact CE2-CD1 3.42Å; Y255-W268 AromaticContact CE2-CD2 3.72Å; Y255-W268 HydrophobicContact CE2-CD2 3.72Å; Y255-W268 HydrophobicContact CE2-CE3 4.44Å; Y255-W268 AromaticContact CE2-CG 3.33Å; Y255-W268 HydrophobicContact CE2-CG 3.33Å; Y255-W268 AromaticContact CE2-NE1 3.81Å; Y255-W268 HydrophobicContact CG-CB 4.31Å; Y255-W268 AromaticContact CG-CD2 3.88Å; Y255-W268 HydrophobicContact CG-CD2 3.88Å; Y255-W268 AromaticContact CG-CE3 3.76Å; Y255-W268 HydrophobicContact CG-CE3 3.76Å; Y255-W268 HydrophobicContact CG-CG 4.14Å; Y255-W268 HydrophobicContact CG-CZ3 4.34Å; Y255-H282 AromaticContact CD1-CE1 3.81Å; Y255-H282 AromaticContact CD1-NE2 3.77Å
256	E	92.2	Very high	91.6	Very high	185 Å²	185	82 Å²	82	86%	0.864	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.2	-174.1	-63	-176.2	165.4	0	0	113	G258	E256-G258 PolarHBondContact O-N 2.59Å
257	Q	92.4	Very high	91.5	Very high	108 Å²	108	83.1 Å²	83.1	51%	0.505	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.8	179.7	-66.1	72.2	5.3	0	0	112.4	Y255 S261	Y255-Q257 VanDerWaalsContact C-N 3.27Å; Y255-Q257 HydrophobicContact CD1-CB 4.04Å; Y255-Q257 HydrophobicContact CE1-CB 3.63Å; Y255-Q257 HydrophobicContact CE1-CG 4.27Å; Y255-Q257 HydrophobicContact CE2-CB 4.31Å; Y255-Q257 VanDerWaalsContact CE2-CD 3.48Å; Y255-Q257 HydrophobicContact CE2-CG 4.24Å; Y255-Q257 VanDerWaalsContact CZ-OE1 3.24Å; Y255-Q257 PolarHBondContact O-N 3.19Å; Q257-S261 WeakPolarHBondContact O-CB 3.29Å; Q257-S261 PolarHBondContact O-OG 3.32Å
258	G	92.8	Very high	91.4	Very high	30 Å²	30	82.2 Å²	82.2	31%	0.309	43%	0.427	S	S	.	.			trans	96.6	176.5	176	0	0	0	0	0	114.2	Y255 E256	Y255-G258 WeakPolarHBondContact CD1-O 3.47Å; Y255-G258 PolarHBondContact O-N 3.39Å; E256-G258 PolarHBondContact O-N 2.59Å
259	R	94.6	Very high	91.3	Very high	78 Å²	78	82.8 Å²	82.8	29%	0.294	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.6	-172.2	-67.3	176.2	177.2	-85.3	3.2	114.1	H247 C248 A250 P251 C253	H247-R259 WeakPolarHBondContact CE1-CB 3.38Å; H247-R259 WeakPolarHBondContact NE2-CD 3.24Å; C248-R259 HydrophobicContact CB-CB 4.24Å; C248-R259 PolarHBondContact N-O 3.31Å; C248-R259 PolarHBondContact O-NH1 3.15Å; A250-R259 PolarHBondContact O-NH1 2.74Å; A250-R259 PolarHBondContact O-NH2 2.98Å; P251-R259 PolarHBondContact O-NH2 3.24Å; C253-R259 HydrophobicContact CB-CG 3.7Å
260	D	94	Very high	91.2	Very high	105 Å²	105	81.9 Å²	81.9	56%	0.561	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.7	-179.3	-55.5	-59.2	0	0	0	113.3	H247	H247-D260 IonicContact CE1-OD1 3.64Å; H247-D260 IonicContact CG-OD1 2.76Å; H247-D260 IonicContact ND1-OD1 3.14Å; H247-D260 PolarHBondContact ND1-OD1 3.04Å; H247-D260 IonicContact ND1-OD2 2.65Å
261	S	91.8	Very high	91.2	Very high	48 Å²	48	82.4 Å²	82.4	34%	0.336	43%	0.428	S	S	.	.			trans	-100	140.2	177.4	-62	0	0	0	0	109.2	Y255 Q257 H282	Y255-S261 VanDerWaalsContact CD1-O 3.23Å; Y255-S261 WeakPolarHBondContact CD1-O 3.46Å; Y255-S261 VanDerWaalsContact CE1-O 3.25Å; Y255-S261 WeakPolarHBondContact CE1-O 3.37Å; Q257-S261 WeakPolarHBondContact O-CB 3.29Å; Q257-S261 PolarHBondContact O-OG 3.32Å; S261-H282 PolarHBondContact O-NE2 3.32Å
262	F	92.5	Very high	91.4	Very high	80 Å²	80	77.6 Å²	77.6	35%	0.351	40%	0.395	S	S	.	.			trans	-154.9	160.1	176.5	50.8	-88.1	0	0	0	110.9	Q246 W268 L270	Q246-F262 HydrophobicContact CB-CE1 3.94Å; Q246-F262 HydrophobicContact CG-CE1 4.33Å; Q246-F262 HydrophobicContact CG-CZ 4.48Å; F262-W268 VanDerWaalsContact CA-O 3.3Å; F262-W268 WeakPolarHBondContact CA-O 3.43Å; F262-W268 VanDerWaalsContact CB-O 3.29Å; F262-W268 WeakPolarHBondContact CB-O 3.47Å; F262-L270 HydrophobicContact CB-CB 3.88Å; F262-L270 HydrophobicContact CD1-CB 4.21Å; F262-L270 HydrophobicContact CD1-CD2 4.25Å; F262-L270 HydrophobicContact CD2-CB 4.23Å; F262-L270 HydrophobicContact CE1-CD2 4.43Å; F262-L270 HydrophobicContact CG-CB 3.84Å
263	E	92.1	Very high	91.4	Very high	83 Å²	83	71.7 Å²	71.7	39%	0.388	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-96.2	155.4	174.2	-66.2	173.8	166	0	0	110.3	E265 W268 C269	E263-E265 VanDerWaalsContact C-N 3.27Å; E263-E265 WeakPolarHBondContact CB-O 3.13Å; E263-E265 PolarHBondContact O-N 3.17Å; E263-W268 HydrophobicContact CB-CB 4.38Å; E263-W268 HydrophobicContact CG-CB 4.02Å; E263-W268 PolarHBondContact N-O 2.83Å; E263-C269 WeakPolarHBondContact O-CA 3.13Å; E263-C269 WeakPolarHBondContact O-CB 3.4Å
264	D	85.8	Confident	91.3	Very high	164 Å²	164	74.8 Å²	74.8	88%	0.877	38%	0.379	S	S	*	.	S	Bend	trans	-65.4	-34.4	176.1	-69.4	-37.3	0	0	0	111.7
265	E	85.3	Confident	91.2	Very high	164 Å²	164	74.5 Å²	74.5	77%	0.766	38%	0.382	S	S	*	.	S	Bend	trans	-140.3	162.9	179.7	-65.1	-171.2	170	0	0	110.8	E263	E263-E265 VanDerWaalsContact C-N 3.27Å; E263-E265 WeakPolarHBondContact CB-O 3.13Å; E263-E265 PolarHBondContact O-N 3.17Å
266	G	87.1	Confident	91.1	Very high	43 Å²	43	75.6 Å²	75.6	44%	0.443	39%	0.393	S	S	.	.	S	Bend	trans	100	-151.8	174.6	0	0	0	0	0	114.1	C269 R283	G266-C269 PolarHBondContact O-SG 3.29Å; G266-R283 WeakPolarHBondContact O-CD 3.21Å; G266-R283 PolarHBondContact O-NE 2.76Å
267	R	89.3	Confident	90.9	Very high	132 Å²	132	68.3 Å²	68.3	50%	0.498	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-21	-171.2	63.9	-178.2	-57.4	-162.7	-2.9	113.9	R283 D284	R267-R283 WeakPolarHBondContact O-CB 3.49Å; R267-D284 IonicContact CZ-OD2 3.32Å; R267-D284 IonicContact NE-OD2 2.73Å; R267-D284 PolarHBondContact NE-OD2 3.37Å; R267-D284 IonicContact NH2-OD2 3.69Å; R267-D284 PolarHBondContact NH2-OD2 2.88Å; R267-D284 PolarHBondContact O-N 3.48Å
268	W	92.2	Very high	90.8	Very high	38 Å²	38	66.5 Å²	66.5	14%	0.144	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	13.8	178	-50.8	122.7	0	0	0	112.5	L254 Y255 F262 E263 H282 D284	L254-W268 HydrophobicContact CB-CH2 3.86Å; L254-W268 HydrophobicContact CB-CZ3 3.88Å; L254-W268 VanDerWaalsContact O-CH2 3.29Å; L254-W268 WeakPolarHBondContact O-CH2 3.38Å; Y255-W268 HydrophobicContact CD1-CB 4.45Å; Y255-W268 HydrophobicContact CD2-CB 3.93Å; Y255-W268 AromaticContact CD2-CD1 3.78Å; Y255-W268 AromaticContact CD2-CD2 3.22Å; Y255-W268 HydrophobicContact CD2-CD2 3.22Å; Y255-W268 AromaticContact CD2-CE2 3.58Å; Y255-W268 AromaticContact CD2-CE3 3.56Å; Y255-W268 HydrophobicContact CD2-CE3 3.56Å; Y255-W268 AromaticContact CD2-CG 3.39Å; Y255-W268 HydrophobicContact CD2-CG 3.39Å; Y255-W268 HydrophobicContact CD2-CH2 4.46Å; Y255-W268 HydrophobicContact CD2-CZ2 4.19Å; Y255-W268 HydrophobicContact CD2-CZ3 4.18Å; Y255-W268 AromaticContact CD2-NE1 3.86Å; Y255-W268 HydrophobicContact CE1-CB 4.25Å; Y255-W268 HydrophobicContact CE2-CB 3.7Å; Y255-W268 AromaticContact CE2-CD1 3.42Å; Y255-W268 VanDerWaalsContact CE2-CD1 3.42Å; Y255-W268 AromaticContact CE2-CD2 3.72Å; Y255-W268 HydrophobicContact CE2-CD2 3.72Å; Y255-W268 HydrophobicContact CE2-CE3 4.44Å; Y255-W268 AromaticContact CE2-CG 3.33Å; Y255-W268 HydrophobicContact CE2-CG 3.33Å; Y255-W268 AromaticContact CE2-NE1 3.81Å; Y255-W268 HydrophobicContact CG-CB 4.31Å; Y255-W268 AromaticContact CG-CD2 3.88Å; Y255-W268 HydrophobicContact CG-CD2 3.88Å; Y255-W268 AromaticContact CG-CE3 3.76Å; Y255-W268 HydrophobicContact CG-CE3 3.76Å; Y255-W268 HydrophobicContact CG-CG 4.14Å; Y255-W268 HydrophobicContact CG-CZ3 4.34Å; F262-W268 VanDerWaalsContact CA-O 3.3Å; F262-W268 WeakPolarHBondContact CA-O 3.43Å; F262-W268 VanDerWaalsContact CB-O 3.29Å; F262-W268 WeakPolarHBondContact CB-O 3.47Å; E263-W268 HydrophobicContact CB-CB 4.38Å; E263-W268 HydrophobicContact CG-CB 4.02Å; E263-W268 PolarHBondContact N-O 2.83Å; W268-H282 HydrophobicContact CE3-CB 4.37Å; W268-H282 PolarHBondContact O-CD2 2.99Å; W268-D284 HydrophobicContact CZ3-CB 4.33Å
269	C	90.9	Very high	90.8	Very high	12 Å²	12	67.4 Å²	67.4	8%	0.081	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-67.8	140	170	74.2	0	0	0	0	110.6	E263 G266 H282 R283	E263-C269 WeakPolarHBondContact O-CA 3.13Å; E263-C269 WeakPolarHBondContact O-CB 3.4Å; G266-C269 PolarHBondContact O-SG 3.29Å; C269-H282 WeakPolarHBondContact O-CA 3.48Å; C269-R283 PolarHBondContact O-N 3.34Å; C269-R283 VanDerWaalsContact O-N 3.15Å
270	L	92.3	Very high	90.7	Very high	33 Å²	33	63.7 Å²	63.7	17%	0.173	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.7	176	-169.3	72.1	0	0	0	110.1	Y245 Q246 C248 F262 L272	Y245-L270 WeakPolarHBondContact O-CD2 3.23Å; Q246-L270 VanDerWaalsContact C-CD2 3.48Å; Q246-L270 VanDerWaalsContact CA-CD2 3.44Å; C248-L270 HydrophobicContact CB-CD1 4.41Å; F262-L270 HydrophobicContact CB-CB 3.88Å; F262-L270 HydrophobicContact CD1-CB 4.21Å; F262-L270 HydrophobicContact CD1-CD2 4.25Å; F262-L270 HydrophobicContact CD2-CB 4.23Å; F262-L270 HydrophobicContact CE1-CD2 4.43Å; F262-L270 HydrophobicContact CG-CB 3.84Å; L270-L272 HydrophobicContact CD2-CD2 3.96Å; L270-L272 HydrophobicContact CG-CD2 4.16Å
271	I	91.3	Very high	90.7	Very high	18 Å²	18	58.8 Å²	58.8	9%	0.092	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.9	175.6	-52.4	-179.7	0	0	0	107.5	G280 T281 R283 L288 W295	I271-G280 CarbonylContact O-C 3.49Å; I271-G280 VanDerWaalsContact O-CA 3.32Å; I271-G280 WeakPolarHBondContact O-CA 3.28Å; I271-T281 HydrophobicContact CB-CG2 4.48Å; I271-T281 PolarHBondContact N-O 3.25Å; I271-T281 PolarHBondContact O-N 2.73Å; I271-R283 HydrophobicContact CD1-CB 3.81Å; I271-R283 HydrophobicContact CD1-CG 4.08Å; I271-R283 HydrophobicContact CG1-CB 4.46Å; I271-L288 HydrophobicContact CD1-CD2 3.96Å; I271-W295 HydrophobicContact CG2-CB 3.79Å
272	L	92.6	Very high	90.8	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.147	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	156	176.7	-57.5	-173.4	0	0	0	111.7	R244 Y245 L270 D274 H279	R244-L272 HydrophobicContact CG-CD1 3.47Å; R244-L272 VanDerWaalsContact CG-CD1 3.47Å; Y245-L272 HydrophobicContact CD1-CD2 4.08Å; Y245-L272 HydrophobicContact CG-CD2 4.49Å; L270-L272 HydrophobicContact CD2-CD2 3.96Å; L270-L272 HydrophobicContact CG-CD2 4.16Å; L272-D274 PolarHBondContact O-N 2.76Å; L272-H279 WeakPolarHBondContact CA-O 3.41Å
273	C	91.8	Very high	90.6	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.027	30%	0.302	C	S	.	.			trans	-59.5	125.9	173	179.1	0	0	0	0	109.7	T275 G277 H279 W295 C297	C273-T275 PolarHBondContact O-N 3.32Å; C273-G277 WeakPolarHBondContact O-CA 3.41Å; C273-G277 PolarHBondContact O-N 3.17Å; C273-H279 HydrophobicContact CB-CB 4.44Å; C273-H279 PolarHBondContact N-O 3.19Å; C273-W295 CarbonylContact C-O 3.6Å; C273-W295 WeakPolarHBondContact CA-O 3.21Å; C273-W295 HydrophobicContact CB-CE3 4.1Å; C273-W295 HydrophobicContact CB-CZ3 3.85Å; C273-W295 VanDerWaalsContact N-CE3 3.35Å; C273-C297 HydrophobicContact CB-CB 4.31Å; C273-C297 PolarHBondContact SG-N 3.33Å; C273-C297 VanDerWaalsContact SG-N 3.39Å
274	D	90.7	Very high	90.5	Very high	95 Å²	95	54.5 Å²	54.5	51%	0.508	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.3	-178.6	-157.6	49.3	0	0	0	111.7	L272 K294 W295	L272-D274 PolarHBondContact O-N 2.76Å; D274-K294 IonicContact OD2-NZ 2.72Å; D274-K294 PolarHBondContact OD2-NZ 3.14Å; D274-W295 PolarHBondContact N-O 3.24Å
275	T	90.3	Very high	90.8	Very high	90 Å²	90	47.5 Å²	47.5	55%	0.552	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-53.6	-176	-53	0	0	0	0	112.8	C273 C300	C273-T275 PolarHBondContact O-N 3.32Å; T275-C300 HydrophobicContact CG2-CB 4.18Å
276	C	90.5	Very high	90.7	Very high	50 Å²	50	41.1 Å²	41.1	34%	0.338	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-23.3	-172.6	69.2	0	0	0	0	114.3	S278	C276-S278 PolarHBondContact O-N 2.9Å; C276-S278 PolarHBondContact O-OG 2.92Å
277	G	89.8	Confident	90	Very high	31 Å²	31	44.4 Å²	44.4	32%	0.32	25%	0.251	S	S	.	.	S	Bend	trans	62.7	-5.5	-174.4	0	0	0	0	0	115.9	Y245 C273	Y245-G277 WeakPolarHBondContact CB-O 3.27Å; C273-G277 WeakPolarHBondContact O-CA 3.41Å; C273-G277 PolarHBondContact O-N 3.17Å
278	S	89.9	Confident	89.1	Confident	71 Å²	71	39.7 Å²	39.7	50%	0.497	24%	0.235	S	C	.	.	S	Bend	trans	-92.3	-1.1	-175.7	-54.6	0	0	0	0	114.4	Y245 C276	Y245-S278 WeakPolarHBondContact CD2-O 3.42Å; Y245-S278 WeakPolarHBondContact CE2-O 3.37Å; C276-S278 PolarHBondContact O-N 2.9Å; C276-S278 PolarHBondContact O-OG 2.92Å
279	H	92.3	Very high	87.8	Confident	48 Å²	48	48.2 Å²	48.2	22%	0.222	27%	0.267	C	S	.	.			trans	-127.1	153.3	172.7	-71.7	96.2	0	0	0	108.8	D249 L272 C273 W295 C297 E299	D249-H279 WeakPolarHBondContact OD2-CA 3.45Å; D249-H279 WeakPolarHBondContact OD2-CB 3.38Å; D249-H279 IonicContact OD2-CD2 3.49Å; D249-H279 PolarHBondContact OD2-CD2 2.97Å; D249-H279 VanDerWaalsContact OD2-CD2 3.32Å; D249-H279 IonicContact OD2-CG 3.48Å; L272-H279 WeakPolarHBondContact CA-O 3.41Å; C273-H279 HydrophobicContact CB-CB 4.44Å; C273-H279 PolarHBondContact N-O 3.19Å; H279-W295 HydrophobicContact CB-CH2 3.96Å; H279-W295 HydrophobicContact CB-CZ3 4.14Å; H279-W295 WeakPolarHBondContact O-CZ3 3.48Å; H279-C297 HydrophobicContact CB-CB 3.73Å; H279-E299 IonicContact CE1-OE2 3.83Å
280	G	92.9	Very high	86.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.8	-176.7	0	0	0	0	0	112.4	Y245 H247 D249 I271	Y245-G280 VanDerWaalsContact CE1-N 3.28Å; H247-G280 CarbonylContact O-C 3.5Å; H247-G280 WeakPolarHBondContact O-CA 3.48Å; D249-G280 WeakPolarHBondContact CB-O 3.22Å; D249-G280 PolarHBondContact N-O 3.25Å; D249-G280 PolarHBondContact OD2-N 2.99Å; I271-G280 CarbonylContact O-C 3.49Å; I271-G280 VanDerWaalsContact O-CA 3.32Å; I271-G280 WeakPolarHBondContact O-CA 3.28Å
281	T	93.3	Very high	85	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145.3	174.8	-171.5	0	0	0	0	109.4	I271 S286 W295	I271-T281 HydrophobicContact CB-CG2 4.48Å; I271-T281 PolarHBondContact N-O 3.25Å; I271-T281 PolarHBondContact O-N 2.73Å; T281-S286 VanDerWaalsContact CG2-OG 3.3Å; T281-S286 WeakPolarHBondContact CG2-OG 3.35Å; T281-S286 WeakPolarHBondContact OG1-CB 3.42Å; T281-W295 HydrophobicContact CG2-CD2 3.48Å; T281-W295 VanDerWaalsContact CG2-CD2 3.48Å; T281-W295 VanDerWaalsContact CG2-CE2 3.47Å; T281-W295 HydrophobicContact CG2-CE3 3.86Å; T281-W295 HydrophobicContact CG2-CG 3.9Å; T281-W295 HydrophobicContact CG2-CH2 4.18Å; T281-W295 HydrophobicContact CG2-CZ2 3.84Å; T281-W295 HydrophobicContact CG2-CZ3 4.19Å
282	H	93.3	Very high	83.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	148	164.9	-57.1	118.7	0	0	0	109.3	C248 Y255 S261 W268 C269 D284 C285 S286	C248-H282 VanDerWaalsContact CB-CE1 3.48Å; C248-H282 WeakPolarHBondContact CB-CE1 3.32Å; C248-H282 WeakPolarHBondContact CB-ND1 3.3Å; C248-H282 PolarHBondContact SG-N 2.89Å; C248-H282 PolarHBondContact SG-ND1 3.49Å; Y255-H282 AromaticContact CD1-CE1 3.81Å; Y255-H282 AromaticContact CD1-NE2 3.77Å; S261-H282 PolarHBondContact O-NE2 3.32Å; W268-H282 HydrophobicContact CE3-CB 4.37Å; W268-H282 PolarHBondContact O-CD2 2.99Å; C269-H282 WeakPolarHBondContact O-CA 3.48Å; H282-D284 VanDerWaalsContact C-N 3.25Å; H282-D284 PolarHBondContact O-N 2.81Å; H282-C285 HydrophobicContact CB-CB 4Å; H282-C285 PolarHBondContact O-N 2.73Å; H282-S286 PolarHBondContact O-N 3.22Å; H282-S286 PolarHBondContact O-OG 3.03Å
283	R	89.9	Confident	82.8	Confident	67 Å²	67	68.3 Å²	68.3	25%	0.253	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-47.4	179.4	179.7	178.7	-63.1	-75.2	-6.5	112.8	G266 R267 C269 I271 S286 S292	G266-R283 WeakPolarHBondContact O-CD 3.21Å; G266-R283 PolarHBondContact O-NE 2.76Å; R267-R283 WeakPolarHBondContact O-CB 3.49Å; C269-R283 PolarHBondContact O-N 3.34Å; C269-R283 VanDerWaalsContact O-N 3.15Å; I271-R283 HydrophobicContact CD1-CB 3.81Å; I271-R283 HydrophobicContact CD1-CG 4.08Å; I271-R283 HydrophobicContact CG1-CB 4.46Å; R283-S286 PolarHBondContact O-OG 3.35Å; R283-S292 PolarHBondContact NH1-O 2.92Å
284	D	90.3	Very high	82.5	Confident	55 Å²	55	74.5 Å²	74.5	29%	0.294	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-20.1	-178.5	-80.4	17	0	0	0	113.7	R267 W268 H282 S286	R267-D284 IonicContact CZ-OD2 3.32Å; R267-D284 IonicContact NE-OD2 2.73Å; R267-D284 PolarHBondContact NE-OD2 3.37Å; R267-D284 IonicContact NH2-OD2 3.69Å; R267-D284 PolarHBondContact NH2-OD2 2.88Å; R267-D284 PolarHBondContact O-N 3.48Å; W268-D284 HydrophobicContact CZ3-CB 4.33Å; H282-D284 VanDerWaalsContact C-N 3.25Å; H282-D284 PolarHBondContact O-N 2.81Å; D284-S286 VanDerWaalsContact C-N 3.3Å; D284-S286 PolarHBondContact O-N 2.64Å
285	C	91.3	Very high	82.4	Confident	17 Å²	17	72 Å²	72	12%	0.115	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.2	178.9	-66.6	0	0	0	0	112.8	A250 L254 H282	A250-C285 HydrophobicContact CB-CB 3.49Å; A250-C285 VanDerWaalsContact CB-CB 3.49Å; L254-C285 PolarHBondContact N-SG 2.82Å; H282-C285 HydrophobicContact CB-CB 4Å; H282-C285 PolarHBondContact O-N 2.73Å
286	S	82.1	Confident	82.5	Confident	29 Å²	29	71 Å²	71	20%	0.203	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	5.9	-178.7	47.2	0	0	0	0	114.8	T281 H282 R283 D284 L288	T281-S286 VanDerWaalsContact CG2-OG 3.3Å; T281-S286 WeakPolarHBondContact CG2-OG 3.35Å; T281-S286 WeakPolarHBondContact OG1-CB 3.42Å; H282-S286 PolarHBondContact O-N 3.22Å; H282-S286 PolarHBondContact O-OG 3.03Å; R283-S286 PolarHBondContact O-OG 3.35Å; D284-S286 VanDerWaalsContact C-N 3.3Å; D284-S286 PolarHBondContact O-N 2.64Å; S286-L288 PolarHBondContact O-N 3.3Å
287	S	72.3	Confident	82.5	Confident	113 Å²	113	68.9 Å²	68.9	79%	0.79	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	28	-173.6	-58.3	0	0	0	0	113.1	R289	S287-R289 PolarHBondContact O-N 3.32Å
288	L	71.4	Confident	82.4	Confident	32 Å²	32	75.6 Å²	75.6	17%	0.168	39%	0.386	C	S	.	.			trans	-61.8	133	-178.6	-132.1	85.1	0	0	0	108.8	I271 S286 S290 S292 W295	I271-L288 HydrophobicContact CD1-CD2 3.96Å; S286-L288 PolarHBondContact O-N 3.3Å; L288-S290 PolarHBondContact O-N 2.99Å; L288-S292 WeakPolarHBondContact CD2-O 3.42Å; L288-W295 HydrophobicContact CD1-CB 3.73Å; L288-W295 HydrophobicContact CD1-CG 3.82Å; L288-W295 HydrophobicContact CD2-CB 4.41Å
289	R	63.9	Low	82.3	Confident	217 Å²	217	79.1 Å²	79.1	82%	0.819	39%	0.394	S	S	*	.			trans	-58.2	141	174.2	-64.2	-147	-169.2	-85.5	2.6	109	S287 N291 S292	S287-R289 PolarHBondContact O-N 3.32Å; R289-N291 PolarHBondContact O-N 3.3Å; R289-S292 PolarHBondContact O-N 3.2Å
290	S	62.4	Low	82.1	Confident	119 Å²	119	78.6 Å²	78.6	83%	0.832	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-12.4	-169.6	-43.9	0	0	0	0	115.8	L288	L288-S290 PolarHBondContact O-N 2.99Å
291	N	62.2	Low	81.7	Confident	161 Å²	161	80.2 Å²	80.2	86%	0.861	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	0.2	179.4	-118.1	21.8	0	0	0	115.1	R289	R289-N291 PolarHBondContact O-N 3.3Å
292	S	69.4	Low	80.5	Confident	43 Å²	43	84.9 Å²	84.9	30%	0.301	44%	0.437	S	S	.	.			trans	-78.8	131.1	176.4	-170.5	0	0	0	0	110.5	R283 L288 R289 K294	R283-S292 PolarHBondContact NH1-O 2.92Å; L288-S292 WeakPolarHBondContact CD2-O 3.42Å; R289-S292 PolarHBondContact O-N 3.2Å; S292-K294 PolarHBondContact OG-N 2.84Å; S292-K294 PolarHBondContact OG-O 3.45Å
293	K	69.9	Low	78.9	Confident	191 Å²	191	88.8 Å²	88.8	83%	0.83	47%	0.469	S	S	*	.			trans	-100.3	-6.9	171.5	-65.9	-173.3	179.4	-176.1	0	112.8
294	K	83.9	Confident	77.2	Confident	133 Å²	133	88.6 Å²	88.6	58%	0.578	48%	0.483	S	S	*	.			trans	-111	132.8	-178.5	-68.7	177.1	168.2	-101.1	0	109.2	D274 S292	D274-K294 IonicContact OD2-NZ 2.72Å; D274-K294 PolarHBondContact OD2-NZ 3.14Å; S292-K294 PolarHBondContact OG-N 2.84Å; S292-K294 PolarHBondContact OG-O 3.45Å
295	W	89.6	Confident	75.5	Confident	42 Å²	42	90 Å²	90	16%	0.159	50%	0.501	C	S	.	.			trans	-133.1	142.6	170.9	175.5	70	0	0	0	107.6	I271 C273 D274 H279 T281 L288 C297	I271-W295 HydrophobicContact CG2-CB 3.79Å; C273-W295 CarbonylContact C-O 3.6Å; C273-W295 WeakPolarHBondContact CA-O 3.21Å; C273-W295 HydrophobicContact CB-CE3 4.1Å; C273-W295 HydrophobicContact CB-CZ3 3.85Å; C273-W295 VanDerWaalsContact N-CE3 3.35Å; D274-W295 PolarHBondContact N-O 3.24Å; H279-W295 HydrophobicContact CB-CH2 3.96Å; H279-W295 HydrophobicContact CB-CZ3 4.14Å; H279-W295 WeakPolarHBondContact O-CZ3 3.48Å; T281-W295 HydrophobicContact CG2-CD2 3.48Å; T281-W295 VanDerWaalsContact CG2-CD2 3.48Å; T281-W295 VanDerWaalsContact CG2-CE2 3.47Å; T281-W295 HydrophobicContact CG2-CE3 3.86Å; T281-W295 HydrophobicContact CG2-CG 3.9Å; T281-W295 HydrophobicContact CG2-CH2 4.18Å; T281-W295 HydrophobicContact CG2-CZ2 3.84Å; T281-W295 HydrophobicContact CG2-CZ3 4.19Å; L288-W295 HydrophobicContact CD1-CB 3.73Å; L288-W295 HydrophobicContact CD1-CG 3.82Å; L288-W295 HydrophobicContact CD2-CB 4.41Å; W295-C297 HydrophobicContact CH2-CB 3.81Å; W295-C297 HydrophobicContact CZ2-CB 4.17Å; W295-C297 HydrophobicContact CZ3-CB 4.35Å
296	E	91.3	Very high	73.5	Confident	70 Å²	70	94.3 Å²	94.3	33%	0.327	53%	0.528	S	S	.	.			trans	-125	137.9	175.3	-70.4	172	178.4	0	0	107	P302	E296-P302 WeakPolarHBondContact OE2-CD 3.16Å
297	C	90.4	Very high	71.8	Confident	5 Å²	5	100.2 Å²	100.2	3%	0.034	56%	0.557	C	S	.	*			trans	-70.8	167.5	173.2	67.3	0	0	0	0	110.6	C273 H279 W295 E299 C300 S301	C273-C297 HydrophobicContact CB-CB 4.31Å; C273-C297 PolarHBondContact SG-N 3.33Å; C273-C297 VanDerWaalsContact SG-N 3.39Å; H279-C297 HydrophobicContact CB-CB 3.73Å; W295-C297 HydrophobicContact CH2-CB 3.81Å; W295-C297 HydrophobicContact CZ2-CB 4.17Å; W295-C297 HydrophobicContact CZ3-CB 4.35Å; C297-E299 VanDerWaalsContact C-N 3.26Å; C297-E299 PolarHBondContact O-N 2.76Å; C297-C300 PolarHBondContact O-N 2.89Å; C297-C300 VanDerWaalsContact O-N 3.1Å; C297-S301 WeakPolarHBondContact O-CB 3.43Å; C297-S301 PolarHBondContact O-N 2.73Å; C297-S301 PolarHBondContact O-OG 3.4Å
298	E	87.8	Confident	70.5	Confident	173 Å²	173	104.9 Å²	104.9	81%	0.808	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-55.8	-41.5	-178.8	-172.6	170.8	-172.3	0	0	112.2	C300 S301	E298-C300 VanDerWaalsContact C-N 3.34Å; E298-C300 PolarHBondContact O-N 3.39Å; E298-S301 PolarHBondContact O-N 2.89Å
299	E	88.2	Confident	69.4	Low	145 Å²	145	110 Å²	110	68%	0.678	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-68.1	-29.7	179	-60.8	177.1	-175.8	0	0	113.8	H279 C297	H279-E299 IonicContact CE1-OE2 3.83Å; C297-E299 VanDerWaalsContact C-N 3.26Å; C297-E299 PolarHBondContact O-N 2.76Å
300	C	88.4	Confident	68.4	Low	36 Å²	36	104.9 Å²	104.9	24%	0.243	58%	0.58	C	S	.	*	G	3₁₀ helix	trans	-95.8	-10.1	-179.5	-68.5	0	0	0	0	112.8	T275 C297 E298	T275-C300 HydrophobicContact CG2-CB 4.18Å; C297-C300 PolarHBondContact O-N 2.89Å; C297-C300 VanDerWaalsContact O-N 3.1Å; E298-C300 VanDerWaalsContact C-N 3.34Å; E298-C300 PolarHBondContact O-N 3.39Å
301	S	84	Confident	67.2	Low	35 Å²	35	108 Å²	108	25%	0.245	58%	0.581	C	S	.	*	S	Bend	trans	-72.5	140.8	-178.4	-68.5	0	0	0	0	110.3	C297 E298 A303 A304	C297-S301 WeakPolarHBondContact O-CB 3.43Å; C297-S301 PolarHBondContact O-N 2.73Å; C297-S301 PolarHBondContact O-OG 3.4Å; E298-S301 PolarHBondContact O-N 2.89Å; S301-A303 PolarHBondContact O-N 3.01Å; S301-A304 WeakPolarHBondContact O-CB 3.34Å; S301-A304 PolarHBondContact O-N 2.75Å
302	P	69.3	Low	66.3	Low	100 Å²	100	108 Å²	108	65%	0.649	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-56.4	-20.6	-177.2	-25.9	31.4	0	0	0	115.4	E296 A304 A305	E296-P302 WeakPolarHBondContact OE2-CD 3.16Å; P302-A304 VanDerWaalsContact C-N 3.29Å; P302-A304 PolarHBondContact O-N 3.1Å; P302-A305 PolarHBondContact O-N 2.91Å
303	A	59.5	Low	65	Low	81 Å²	81	111.2 Å²	111.2	67%	0.669	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-72	-18.2	177.7	0	0	0	0	0	113.8	S301 A305 T306	S301-A303 PolarHBondContact O-N 3.01Å; A303-A305 VanDerWaalsContact C-N 3.25Å; A303-A305 PolarHBondContact O-N 3.28Å; A303-T306 PolarHBondContact O-OG1 3.39Å
304	A	54.3	Low	63.4	Low	64 Å²	64	105.6 Å²	105.6	53%	0.529	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-77.2	-11	174.6	0	0	0	0	0	113	S301 P302	S301-A304 WeakPolarHBondContact O-CB 3.34Å; S301-A304 PolarHBondContact O-N 2.75Å; P302-A304 VanDerWaalsContact C-N 3.29Å; P302-A304 PolarHBondContact O-N 3.1Å
305	A	53.8	Low	61.4	Low	83 Å²	83	107.2 Å²	107.2	69%	0.686	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-85.5	-5.6	-175.7	0	0	0	0	0	114.7	P302 A303	P302-A305 PolarHBondContact O-N 2.91Å; A303-A305 VanDerWaalsContact C-N 3.25Å; A303-A305 PolarHBondContact O-N 3.28Å
306	T	49.6	Very low	58.8	Low	109 Å²	109	112.2 Å²	112.2	67%	0.669	64%	0.643	S	S	*	*	S	Bend	trans	-101.1	-0.2	-167.7	37.1	0	0	0	0	117.7	A303	A303-T306 PolarHBondContact O-OG1 3.39Å
307	D	47.2	Very low	56.1	Low	153 Å²	153	115.4 Å²	115.4	82%	0.818	67%	0.669	S	S	*	*			trans	-106.8	17.1	-175.3	-74.2	-10.9	0	0	0	115.6	I309	D307-I309 PolarHBondContact O-N 3.35Å
308	Y	43.2	Very low	53.4	Low	211 Å²	211	120.2 Å²	120.2	83%	0.827	70%	0.702	S	S	*	*			trans	-92.7	90.2	170	-140.8	-92.7	0	0	0	111	P310	Y308-P310 WeakPolarHBondContact O-CD 3.08Å
309	I	48.6	Very low	51	Low	140 Å²	140	117.8 Å²	117.8	72%	0.718	70%	0.703	S	S	*	*			trans	-81.8	116.9	161	-62.7	-162.7	0	0	0	107.7	D307 E311	D307-I309 PolarHBondContact O-N 3.35Å; I309-E311 PolarHBondContact O-N 2.98Å; I309-E311 VanDerWaalsContact O-N 3.15Å
310	P	42.6	Very low	48.5	Very low	109 Å²	109	115.6 Å²	115.6	71%	0.708	70%	0.704	S	S	*	*			trans	-77.6	102	173.4	-2.5	20.1	0	0	0	108.9	Y308	Y308-P310 WeakPolarHBondContact O-CD 3.08Å
311	E	37.7	Very low	46	Very low	185 Å²	185	119 Å²	119	86%	0.864	73%	0.728	S	S	*	*			trans	-78.7	119.6	159.6	-72.9	-161	147.8	0	0	109.7	I309	I309-E311 PolarHBondContact O-N 2.98Å; I309-E311 VanDerWaalsContact O-N 3.15Å
312	N	43.3	Very low	43.6	Very low	159 Å²	159	123.1 Å²	123.1	85%	0.85	75%	0.751	S	S	*	*			trans	-70.7	115.2	177.4	169.7	73.9	0	0	0	111.6
313	S	42.1	Very low	41.6	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	76%	0.76	S	S	*	*			trans	178.6	130.2	137.3	57.8	0	0	0	0	113.6
314	G	36.3	Very low	40	Very low	72 Å²	72	131.6 Å²	131.6	74%	0.742	77%	0.766	S	S	*	*			trans	114.2	106.4	146.1	0	0	0	0	0	116.7	I316	G314-I316 PolarHBondContact O-N 2.93Å
315	D	42.5	Very low	38.8	Very low	167 Å²	167	134.3 Å²	134.3	89%	0.893	78%	0.778	S	S	*	*			trans	-51.9	120.1	178.7	-58.1	-69.3	0	0	0	115.3
316	I	34.4	Very low	37.5	Very low	148 Å²	148	138.9 Å²	138.9	76%	0.759	79%	0.785	S	S	*	*			trans	-143	117.4	156.6	-56.7	-177.6	0	0	0	108	G314 C318	G314-I316 PolarHBondContact O-N 2.93Å; I316-C318 PolarHBondContact O-N 3.39Å; I316-C318 VanDerWaalsContact O-N 3.16Å
317	P	35.7	Very low	36.4	Very low	136 Å²	136	142.3 Å²	142.3	88%	0.883	79%	0.793	S	S	*	*			trans	-80.7	100.8	177.2	30.2	-28.5	0	0	0	109.6
318	C	33.2	Very low	35.5	Very low	106 Å²	106	142.8 Å²	142.8	72%	0.716	79%	0.791	S	S	*	*			trans	-109.2	128.2	164.8	-164.1	0	0	0	0	109.5	I316 S320	I316-C318 PolarHBondContact O-N 3.39Å; I316-C318 VanDerWaalsContact O-N 3.16Å; C318-S320 PolarHBondContact O-N 3.43Å
319	C	37.8	Very low	34.7	Very low	123 Å²	123	142.5 Å²	142.5	83%	0.831	79%	0.794	S	S	*	*			trans	-76.7	113.4	179.4	49.8	0	0	0	0	110.1
320	S	35.3	Very low	33.6	Very low	99 Å²	99	141.4 Å²	141.4	69%	0.692	80%	0.797	S	S	*	*			trans	-148.5	81.7	169.8	-60	0	0	0	0	108.6	C318 T322	C318-S320 PolarHBondContact O-N 3.43Å; S320-T322 PolarHBondContact O-N 3.41Å
321	S	35.7	Very low	33	Very low	108 Å²	108	147.3 Å²	147.3	76%	0.755	81%	0.806	S	S	*	*			trans	-88	87.5	167.6	49.9	0	0	0	0	108.9
322	T	33.1	Very low	32.4	Very low	120 Å²	120	146.3 Å²	146.3	74%	0.736	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.3	123.7	161.3	-51	0	0	0	0	108	S320	S320-T322 PolarHBondContact O-N 3.41Å
323	F	26.9	Very low	31.7	Very low	189 Å²	189	145.8 Å²	145.8	83%	0.829	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.8	125.1	174.8	-83.1	-104.1	0	0	0	110.2
324	H	27	Very low	31	Very low	171 Å²	171	147.4 Å²	147.4	79%	0.792	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-102.2	124.7	157.2	-79.7	-80.9	0	0	0	108.6
325	P	29.4	Very low	30.7	Very low	120 Å²	120	152 Å²	152	78%	0.779	82%	0.815	S	S	*	*			trans	-91.9	103.6	167.2	30.7	-22.8	0	0	0	109.6
326	E	25.7	Very low	29.9	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	82%	0.816	S	S	*	*			trans	-100.7	99.2	157.9	-79.9	-171.7	158.1	0	0	108.2
327	E	27.3	Very low	29.5	Very low	180 Å²	180	154.9 Å²	154.9	84%	0.841	82%	0.82	S	S	*	*			trans	-97.6	105.3	160.3	-76.1	-164.7	160.8	0	0	108.9	F329	E327-F329 PolarHBondContact O-N 3.47Å
328	H	27.9	Very low	29.1	Very low	164 Å²	164	156 Å²	156	76%	0.759	82%	0.819	S	S	*	*			trans	-67.9	112.8	162.3	-105.4	-103.1	0	0	0	109.2	C330	H328-C330 PolarHBondContact O-N 3.36Å; H328-C330 VanDerWaalsContact O-N 3.14Å
329	F	25.5	Very low	28.9	Very low	204 Å²	204	156.6 Å²	156.6	90%	0.895	82%	0.821	S	S	*	*			trans	-63.5	106.3	162.7	-98.6	-96.5	0	0	0	109.5	E327	E327-F329 PolarHBondContact O-N 3.47Å
330	C	26.9	Very low	28.4	Very low	117 Å²	117	154.4 Å²	154.4	79%	0.791	82%	0.819	S	S	*	*			trans	-111.2	114.9	158.4	-79.3	0	0	0	0	108.9	H328	H328-C330 PolarHBondContact O-N 3.36Å; H328-C330 VanDerWaalsContact O-N 3.14Å
331	R	28.7	Very low	28	Very low	234 Å²	234	157.5 Å²	157.5	88%	0.883	83%	0.827	S	S	*	*			trans	-88.1	115	176.9	-171.8	-178.6	-178.7	-171.9	0.5	107
332	D	24.7	Very low	27.5	Very low	164 Å²	164	156 Å²	156	88%	0.877	82%	0.817	S	S	*	*			trans	-139.8	127.5	162.5	-111.1	-28.1	0	0	0	112.3
333	N	29.6	Very low	27.5	Very low	148 Å²	148	159.5 Å²	159.5	79%	0.791	82%	0.817	S	S	*	*			trans	-78.6	121	172	-92.9	-7.9	0	0	0	108.3
334	T	26.5	Very low	27.5	Very low	146 Å²	146	155.3 Å²	155.3	90%	0.896	81%	0.807	S	S	*	*			trans	-170.6	135.6	132.6	15.4	0	0	0	0	111.5
335	L	31.9	Very low	27.6	Very low	168 Å²	168	153.7 Å²	153.7	88%	0.88	80%	0.804	S	S	*	*			trans	-56.5	135.4	164.8	-90.4	80.1	0	0	0	110.7
336	E	24.9	Very low	28.1	Very low	195 Å²	195	156 Å²	156	91%	0.911	80%	0.797	S	S	*	*				-168.3	150.6	114.2	-97.8	-152.8	159.7	0	0	111.4
337	E	26.4	Very low	28.2	Very low	180 Å²	180	153.5 Å²	153.5	84%	0.841	80%	0.796	S	S	*	*			trans	-79.2	138.5	-167.7	-59	176	107.9	0	0	113.4
338	N	27.4	Very low	28.2	Very low	161 Å²	161	150.9 Å²	150.9	86%	0.861	78%	0.784	S	S	*	*				-172.8	150.3	124.6	-104.7	-70	0	0	0	112.3
339	P	28.8	Very low	28.3	Very low	117 Å²	117	148.7 Å²	148.7	76%	0.76	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-97.3	130.3	-147.6	35.4	-33.1	0	0	0	114.4
340	G	26.3	Very low	28.6	Very low	77 Å²	77	144.5 Å²	144.5	79%	0.794	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-96.1	128.7	167.4	0	0	0	0	0	111.5	S342	G340-S342 PolarHBondContact O-N 3.47Å
341	L	28.3	Very low	28.9	Very low	164 Å²	164	144.9 Å²	144.9	86%	0.859	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-56.3	123.1	-172.8	-74.8	144.5	0	0	0	114.2
342	S	25.2	Very low	29	Very low	77 Å²	77	141.8 Å²	141.8	54%	0.538	77%	0.774	S	S	.	*	P	Polyproline II helix	trans	-68.9	149.3	175.6	165.2	0	0	0	0	112.7	G340 T344	G340-S342 PolarHBondContact O-N 3.47Å; S342-T344 PolarHBondContact O-N 3.28Å; S342-T344 WeakPolarHBondContact OG-CG2 3.35Å; S342-T344 PolarHBondContact OG-OG1 3.16Å; S342-T344 VanDerWaalsContact OG-OG1 3.08Å
343	W	32.5	Very low	29.2	Very low	194 Å²	194	142.4 Å²	142.4	74%	0.735	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	37	178.4	-79.5	63.7	0	0	0	114.3
344	T	27.6	Very low	29.3	Very low	100 Å²	100	145 Å²	145	61%	0.613	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-3.6	-173.3	39.7	0	0	0	0	115	S342 W346	S342-T344 PolarHBondContact O-N 3.28Å; S342-T344 WeakPolarHBondContact OG-CG2 3.35Å; S342-T344 PolarHBondContact OG-OG1 3.16Å; S342-T344 VanDerWaalsContact OG-OG1 3.08Å; T344-W346 VanDerWaalsContact C-N 3.29Å; T344-W346 PolarHBondContact O-N 3.39Å
345	D	29.1	Very low	29.5	Very low	138 Å²	138	144.2 Å²	144.2	74%	0.738	77%	0.773	S	S	*	*			trans	-87.9	54.2	-175.1	-73.5	-22.6	0	0	0	114.5
346	W	39	Very low	29.2	Very low	169 Å²	169	145.3 Å²	145.3	64%	0.64	77%	0.774	S	S	*	*	S	Bend	trans	-106.8	135	151	-71.5	98.9	0	0	0	107.3	T344 E348	T344-W346 VanDerWaalsContact C-N 3.29Å; T344-W346 PolarHBondContact O-N 3.39Å; W346-E348 PolarHBondContact O-N 3.43Å
347	P	26.9	Very low	29.6	Very low	126 Å²	126	141.8 Å²	141.8	82%	0.818	77%	0.771	S	S	*	*			trans	-62.2	101.5	178	23.1	-30	0	0	0	109.4
348	E	28.9	Very low	29.7	Very low	126 Å²	126	138.3 Å²	138.3	59%	0.589	77%	0.767	S	S	*	*			trans	-72.9	129	174.1	-167.2	174.4	-147.6	0	0	108.7	W346 S350 L351	W346-E348 PolarHBondContact O-N 3.43Å; E348-S350 PolarHBondContact O-N 3.15Å; E348-L351 HydrophobicContact CG-CG 4.43Å; E348-L351 WeakPolarHBondContact OE1-CD2 3.42Å; E348-L351 WeakPolarHBondContact OE1-CG 3.44Å; E348-L351 VanDerWaalsContact OE2-CD1 3.31Å; E348-L351 WeakPolarHBondContact OE2-CD1 3.5Å; E348-L351 WeakPolarHBondContact OE2-CG 3.37Å
349	P	30.2	Very low	29.6	Very low	118 Å²	118	142.8 Å²	142.8	77%	0.766	77%	0.771	S	S	*	*			trans	-72.5	99.4	166.8	-10.9	26.7	0	0	0	108.7
350	S	30	Very low	29.4	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	77%	0.769	S	S	*	*			trans	29.5	98.4	160.3	57.7	0	0	0	0	117	E348	E348-S350 PolarHBondContact O-N 3.15Å
351	L	34.8	Very low	29.3	Very low	125 Å²	125	147.5 Å²	147.5	65%	0.654	77%	0.771	S	S	*	*			trans	-59.7	153.9	171.9	-73.4	170.4	0	0	0	114.2	E348	E348-L351 HydrophobicContact CG-CG 4.43Å; E348-L351 WeakPolarHBondContact OE1-CD2 3.42Å; E348-L351 WeakPolarHBondContact OE1-CG 3.44Å; E348-L351 VanDerWaalsContact OE2-CD1 3.31Å; E348-L351 WeakPolarHBondContact OE2-CD1 3.5Å; E348-L351 WeakPolarHBondContact OE2-CG 3.37Å
352	L	30.9	Very low	29.2	Very low	169 Å²	169	148.9 Å²	148.9	89%	0.885	77%	0.765	S	S	*	*			trans	-134.9	136.1	144.1	-149	95.2	0	0	0	111.5
353	E	27.8	Very low	29.3	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-58.9	150.3	-175.6	-57.8	174.7	134.9	0	0	114.5
354	K	30.8	Very low	29.1	Very low	203 Å²	203	149.4 Å²	149.4	88%	0.883	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-86.1	133.3	161.8	-70.9	175.7	178.5	172.9	0	108.3
355	P	31	Very low	29	Very low	128 Å²	128	149.3 Å²	149.3	83%	0.831	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-78.6	139.4	175.9	30.2	-30.2	0	0	0	111.3
356	E	27.1	Very low	28.8	Very low	191 Å²	191	154.2 Å²	154.2	89%	0.893	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-61.9	138.5	172.2	-65.4	-177.4	132.7	0	0	112.1
357	S	32.3	Very low	28.2	Very low	122 Å²	122	156.2 Å²	156.2	85%	0.853	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.8	120.8	167	58.9	0	0	0	0	110.4
358	S	27.8	Very low	28.3	Very low	107 Å²	107	155.9 Å²	155.9	75%	0.748	80%	0.799	S	S	*	*			trans	-139.7	117.1	155.2	65.1	0	0	0	0	112.9
359	R	26	Very low	28.4	Very low	254 Å²	254	158.8 Å²	158.8	96%	0.958	81%	0.81	S	S	*	*			trans	50.3	120	141.5	-64.8	-178.5	174.1	-154.4	-1.9	119.7
360	G	24.4	Very low	28.3	Very low	69 Å²	69	156.9 Å²	156.9	71%	0.711	81%	0.812	S	S	*	*				139.4	112.4	114.4	0	0	0	0	0	117.5
361	R	25.2	Very low	28.1	Very low	224 Å²	224	158 Å²	158	85%	0.845	81%	0.813	S	S	*	*			trans	62.7	134.3	147.1	-74.7	177.6	-165	-156.7	0.8	116.2
362	R	26.5	Very low	27.8	Very low	193 Å²	193	163.8 Å²	163.8	73%	0.728	83%	0.826	S	S	*	*			cis	-170.7	134.3	38	-122.5	159.6	-167.6	-171.5	3.3	108
363	S	27.2	Very low	27.7	Very low	112 Å²	112	162 Å²	162	78%	0.783	82%	0.816	S	S	*	*			trans	-65.3	123.6	160.2	23.9	0	0	0	0	109.9
364	H	27.1	Very low	27.8	Very low	170 Å²	170	160.1 Å²	160.1	79%	0.787	82%	0.817	S	S	*	*			trans	-146.1	126.6	149.5	-82.9	-67	0	0	0	109.5
365	S	25.9	Very low	27.7	Very low	98 Å²	98	157.8 Å²	157.8	69%	0.685	81%	0.814	S	S	*	*			trans	-55.8	159.6	166.1	60.3	0	0	0	0	110.7
366	W	25.7	Very low	27.6	Very low	241 Å²	241	157.4 Å²	157.4	91%	0.913	82%	0.815	S	S	*	*			trans	-169.8	118.8	130.5	-97.6	25	0	0	0	112.1
367	R	26.1	Very low	27.8	Very low	211 Å²	211	154.6 Å²	154.6	80%	0.796	82%	0.815	S	S	*	*			trans	23.6	117.6	143.9	-86	175.3	171.8	-101.7	4.3	119.9
368	S	29.7	Very low	27.8	Very low	119 Å²	119	158.4 Å²	158.4	83%	0.832	82%	0.816	S	S	*	*			trans	-49.8	129.9	149.7	-33.7	0	0	0	0	112.7
369	K	29.6	Very low	28	Very low	187 Å²	187	163.6 Å²	163.6	81%	0.813	83%	0.825	S	S	*	*			trans	-154.3	116.4	156.1	-98.6	-177.5	-177.1	179.7	0	111
370	G	27.8	Very low	28.7	Very low	78 Å²	78	156.8 Å²	156.8	80%	0.804	82%	0.817	S	S	*	*			trans	81.9	88.9	135.5	0	0	0	0	0	119.2
371	V	27.6	Very low	29.4	Very low	139 Å²	139	167.1 Å²	167.1	84%	0.842	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-72.8	122.8	156.4	174.2	0	0	0	0	108.7	I373	V371-I373 HydrophobicContact CG1-CG1 4.22Å
372	R	28.1	Very low	29.6	Very low	247 Å²	247	164.3 Å²	164.3	93%	0.932	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-97	118	164.3	-90.1	-175.7	176.2	-179.6	-0.9	108.9
373	I	28.8	Very low	29.8	Very low	132 Å²	132	162.8 Å²	162.8	68%	0.677	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-87.2	130.3	170.8	-62.5	169	0	0	0	107.6	V371	V371-I373 HydrophobicContact CG1-CG1 4.22Å
374	T	29.2	Very low	29.9	Very low	137 Å²	137	165.6 Å²	165.6	84%	0.84	85%	0.851	S	S	*	*			trans	-126.1	105.4	158.9	51.9	0	0	0	0	108.7
375	N	29.9	Very low	30.1	Very low	154 Å²	154	165.4 Å²	165.4	82%	0.824	86%	0.855	S	S	*	*			trans	-79.7	130.7	169.7	-81.7	-26.2	0	0	0	109.8
376	S	28.4	Very low	30.3	Very low	121 Å²	121	169.6 Å²	169.6	85%	0.846	87%	0.866	S	S	*	*			trans	-148.8	101.8	156	62.4	0	0	0	0	109.8
377	C	30.8	Very low	30.6	Very low	132 Å²	132	164.8 Å²	164.8	89%	0.892	86%	0.863	S	S	*	*			trans	-144.4	118.2	155.2	-153.4	0	0	0	0	109.6
378	K	32.7	Very low	31	Very low	202 Å²	202	161.5 Å²	161.5	88%	0.878	87%	0.867	S	S	*	*			trans	-71.6	134.6	177.5	-68.7	173.2	175.2	176.2	0	109.2
379	K	31.5	Very low	31.1	Very low	215 Å²	215	164.8 Å²	164.8	94%	0.935	87%	0.87	S	S	*	*			trans	-97.2	138.6	159.5	-92.5	-176.5	174	-179.1	0	109
380	S	40.4	Very low	31.2	Very low	112 Å²	112	162.9 Å²	162.9	78%	0.783	88%	0.875	S	S	*	*			trans	-118.3	134.4	168.4	-63.3	0	0	0	0	109.3
381	K	39.4	Very low	31.5	Very low	286 Å²	286	170.6 Å²	170.6	100%	1.243	88%	0.881	S	S	*	*			trans	80.9	0	170.8	-65.3	-172.4	176.5	-177.5	0	117.2

Retrieved 381 of 381 residues in 67.6 ms (Link to these results)

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