A0A096NP88_PAPAN Loading...

Steroid sulfatase

AlphaFold DB , UniProt , Accession A0A096NP88, Species PAPAN (Papio anubis, Olive baboon), Gene STS, Length 583 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	30.5	Very low	43.9	Very low	242 Å²	242	151.5 Å²	151.5	100%	1.192	74%	0.741	S	S	*	*				0	148.6	0	-103.1	179.1	168.8	0	0	108.7
2	P	50.8	Low	44	Very low	109 Å²	109	150.2 Å²	150.2	71%	0.708	74%	0.739	S	S	*	*				-127.7	-179	-112.4	32.2	-13.4	0	0	0	113.5
3	L	38.7	Very low	44.2	Very low	153 Å²	153	147.5 Å²	147.5	80%	0.801	73%	0.728	S	S	*	*			trans	138.8	92.3	140.8	-76.2	147.2	0	0	0	110.2
4	R	45.1	Very low	44.2	Very low	215 Å²	215	146.1 Å²	146.1	81%	0.811	72%	0.717	S	S	*	*				50.6	106.9	89.8	-88.3	-172.6	174.6	-176.5	-1.4	111.6
5	K	41.2	Very low	44.1	Very low	165 Å²	165	147.2 Å²	147.2	72%	0.717	72%	0.716	S	S	*	*				106.3	115	70.7	-98.6	-166.9	-176.3	-171.8	0	109.7
6	M	40.6	Very low	44	Very low	137 Å²	137	146.6 Å²	146.6	68%	0.675	72%	0.717	S	S	*	*				86.4	118.4	115.4	-152.5	163.2	71.7	0	0	119.8
7	K	43.4	Very low	43.7	Very low	143 Å²	143	150.4 Å²	150.4	62%	0.622	72%	0.721	S	S	*	*			trans	69.5	95.2	143.3	-69.5	175.7	-171.6	-169.9	0	119.2
8	I	50.3	Low	43.3	Very low	159 Å²	159	151.5 Å²	151.5	82%	0.815	73%	0.726	S	S	*	*	S	Bend	trans	-97.8	-7.9	162.3	-67	173.8	0	0	0	115.1	F10	I8-F10 PolarHBondContact O-N 3.44Å
9	P	49.2	Very low	43	Very low	95 Å²	95	147.4 Å²	147.4	62%	0.617	72%	0.719	S	S	*	*	S	Bend	trans	-90.3	8	177.8	36.3	-31.8	0	0	0	114.4
10	F	48.4	Very low	42.9	Very low	122 Å²	122	148.8 Å²	148.8	54%	0.535	72%	0.724	S	S	.	*	S	Bend	trans	-96.7	-18	-177.9	-132.1	-95.2	0	0	0	114.2	I8 F14	I8-F10 PolarHBondContact O-N 3.44Å; F10-F14 AromaticContact CD1-CD2 3.95Å; F10-F14 HydrophobicContact CD1-CD2 3.95Å; F10-F14 AromaticContact CD1-CE2 3.91Å; F10-F14 HydrophobicContact CD1-CE2 3.91Å; F10-F14 HydrophobicContact CE1-CD2 4.25Å; F10-F14 AromaticContact CE1-CE2 3.87Å; F10-F14 HydrophobicContact CE1-CE2 3.87Å; F10-F14 PolarHBondContact O-N 3.44Å
11	L	44.8	Very low	42.7	Very low	126 Å²	126	145.6 Å²	145.6	66%	0.66	72%	0.717	S	S	*	*	H	α-helix	trans	-78	-29.5	179.3	-107.4	96.4	0	0	0	113.4	L13 F14 F15	L11-L13 VanDerWaalsContact C-N 3.33Å; L11-F14 PolarHBondContact O-N 3.4Å; L11-F15 WeakPolarHBondContact O-CD2 3.46Å; L11-F15 PolarHBondContact O-N 3.42Å
12	L	45.5	Very low	43.3	Very low	136 Å²	136	142.7 Å²	142.7	71%	0.712	70%	0.7	S	S	*	*	H	α-helix	trans	-74.6	-23.3	175.9	-86.2	156.2	0	0	0	113
13	L	46.1	Very low	43	Very low	115 Å²	115	143 Å²	143	60%	0.602	70%	0.7	S	S	*	*	H	α-helix	trans	-81.2	-22.9	172.9	-99.7	133	0	0	0	113	L11 W17	L11-L13 VanDerWaalsContact C-N 3.33Å; L13-W17 PolarHBondContact O-N 3.46Å
14	F	43.8	Very low	44	Very low	129 Å²	129	137.9 Å²	137.9	57%	0.566	68%	0.68	S	S	*	*	H	α-helix	trans	-76.6	-33.4	173.3	-104	-86	0	0	0	112.7	F10 L11 L16 W17	F10-F14 AromaticContact CD1-CD2 3.95Å; F10-F14 HydrophobicContact CD1-CD2 3.95Å; F10-F14 AromaticContact CD1-CE2 3.91Å; F10-F14 HydrophobicContact CD1-CE2 3.91Å; F10-F14 HydrophobicContact CE1-CD2 4.25Å; F10-F14 AromaticContact CE1-CE2 3.87Å; F10-F14 HydrophobicContact CE1-CE2 3.87Å; F10-F14 PolarHBondContact O-N 3.44Å; L11-F14 PolarHBondContact O-N 3.4Å; F14-L16 VanDerWaalsContact C-N 3.29Å; F14-L16 PolarHBondContact O-N 3.4Å; F14-W17 PolarHBondContact O-N 3.41Å
15	F	43	Very low	45	Very low	162 Å²	162	129.7 Å²	129.7	71%	0.711	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-15.2	173	-83.4	-75	0	0	0	114.1	L11	L11-F15 WeakPolarHBondContact O-CD2 3.46Å; L11-F15 PolarHBondContact O-N 3.42Å
16	L	42.1	Very low	47.5	Very low	138 Å²	138	126.7 Å²	126.7	72%	0.723	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-7.3	173.6	-76	166.1	0	0	0	113.3	F14	F14-L16 VanDerWaalsContact C-N 3.29Å; F14-L16 PolarHBondContact O-N 3.4Å
17	W	39.6	Very low	50.2	Low	210 Å²	210	120.2 Å²	120.2	80%	0.795	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-19	-180	-165.9	-87.2	0	0	0	113.6	L13 F14	L13-W17 PolarHBondContact O-N 3.46Å; F14-W17 PolarHBondContact O-N 3.41Å
18	E	37.1	Very low	52.8	Low	171 Å²	171	114 Å²	114	80%	0.799	58%	0.581	S	S	*	*	S	Bend	trans	-91.5	6.2	174	-75.9	-169.4	168.9	0	0	114.2	E20	E18-E20 VanDerWaalsContact C-N 3.31Å; E18-E20 PolarHBondContact O-N 2.84Å
19	A	37.9	Very low	55.1	Low	73 Å²	73	106.4 Å²	106.4	60%	0.603	54%	0.543	S	S	*	.			trans	-96.9	50.3	164.2	0	0	0	0	0	110.5	S21	A19-S21 PolarHBondContact O-N 3.5Å
20	E	39.8	Very low	57.5	Low	175 Å²	175	102 Å²	102	82%	0.818	51%	0.514	S	S	*	.			trans	-65.4	78.4	141.1	-104.6	176.8	176.6	0	0	105.5	E18 H22	E18-E20 VanDerWaalsContact C-N 3.31Å; E18-E20 PolarHBondContact O-N 2.84Å; E20-H22 VanDerWaalsContact C-N 3.3Å; E20-H22 PolarHBondContact O-N 2.65Å
21	S	38.4	Very low	59.9	Low	82 Å²	82	96.1 Å²	96.1	57%	0.573	49%	0.488	S	S	*	.			trans	-54.7	111.9	156.8	69.5	0	0	0	0	103.4	A19 T23	A19-S21 PolarHBondContact O-N 3.5Å; S21-T23 PolarHBondContact O-N 2.9Å
22	H	43.3	Very low	62.5	Low	182 Å²	182	90.4 Å²	90.4	84%	0.843	46%	0.458	S	S	*	.			trans	-55.9	84.3	154.3	-86.4	-66.2	0	0	0	104.8	E20 A24	E20-H22 VanDerWaalsContact C-N 3.3Å; E20-H22 PolarHBondContact O-N 2.65Å; H22-A24 VanDerWaalsContact C-N 3.34Å; H22-A24 PolarHBondContact O-N 3.31Å
23	T	46	Very low	65	Low	114 Å²	114	84 Å²	84	70%	0.699	43%	0.425	S	S	*	.			trans	-53.6	110.5	168.5	33.5	0	0	0	0	103.2	S21 S25	S21-T23 PolarHBondContact O-N 2.9Å; T23-S25 PolarHBondContact O-N 3.04Å
24	A	59.5	Low	67.5	Low	47 Å²	47	78.5 Å²	78.5	39%	0.388	40%	0.396	S	S	.	.			trans	-45.2	113.1	175	0	0	0	0	0	105.3	H22 R26	H22-A24 VanDerWaalsContact C-N 3.34Å; H22-A24 PolarHBondContact O-N 3.31Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 HydrophobicContact CB-CG 4.49Å; A24-R26 WeakPolarHBondContact O-CG 3.46Å; A24-R26 PolarHBondContact O-N 3.34Å
25	S	66.3	Low	70.1	Confident	42 Å²	42	72.4 Å²	72.4	29%	0.294	37%	0.369	S	S	.	.			trans	-61	108.4	172.8	49.5	0	0	0	0	103	T23 P27 W384	T23-S25 PolarHBondContact O-N 3.04Å; S25-P27 WeakPolarHBondContact O-CD 3.48Å; S25-W384 WeakPolarHBondContact OG-CH2 3.43Å
26	R	92	Very high	72.8	Confident	103 Å²	103	65 Å²	65	39%	0.389	34%	0.337	S	S	.	.			trans	-93.6	67.1	-179.1	-71.1	-177.9	60.2	169.3	3	108.7	A24 Q125 Y127	A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 HydrophobicContact CB-CG 4.49Å; A24-R26 WeakPolarHBondContact O-CG 3.46Å; A24-R26 PolarHBondContact O-N 3.34Å; R26-Q125 VanDerWaalsContact CZ-O 3.24Å; R26-Q125 PolarHBondContact NH1-O 3.32Å; R26-Q125 PolarHBondContact NH2-O 2.88Å; R26-Y127 VanDerWaalsContact C-OH 3.24Å; R26-Y127 WeakPolarHBondContact CA-OH 3.17Å
27	P	97.5	Very high	75.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.			trans	-68.7	168.6	-178.8	36.2	-40.5	0	0	0	109.5	S25 I29 Y127 D334 W384	S25-P27 WeakPolarHBondContact O-CD 3.48Å; P27-I29 HydrophobicContact CG-CG1 4.33Å; P27-Y127 WeakPolarHBondContact O-CE1 3.43Å; P27-Y127 PolarHBondContact O-OH 3.48Å; P27-D334 WeakPolarHBondContact CA-O 3.47Å; P27-D334 WeakPolarHBondContact CB-O 3.42Å; P27-W384 HydrophobicContact CB-CH2 4.17Å; P27-W384 HydrophobicContact CB-CZ2 3.5Å; P27-W384 HydrophobicContact CG-CH2 3.7Å; P27-W384 HydrophobicContact CG-CZ2 3.57Å; P27-W384 HydrophobicContact CG-CZ3 4.45Å
28	N	98.8	Very high	78.3	Confident	13 Å²	13	48.4 Å²	48.4	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	148.4	158.6	-61.8	-47.4	0	0	0	110	P279 F280 D334 T335 L336	N28-P279 WeakPolarHBondContact OD1-CA 3.26Å; N28-F280 WeakPolarHBondContact CA-O 3.11Å; N28-F280 HydrophobicContact CB-CD1 4.11Å; N28-F280 HydrophobicContact CB-CD2 4.11Å; N28-F280 HydrophobicContact CB-CE1 3.74Å; N28-F280 HydrophobicContact CB-CE2 3.73Å; N28-F280 HydrophobicContact CB-CG 4.29Å; N28-F280 HydrophobicContact CB-CZ 3.53Å; N28-F280 VanDerWaalsContact CG-CD1 3.49Å; N28-F280 WeakPolarHBondContact ND2-CE1 3.31Å; N28-F280 WeakPolarHBondContact OD1-CD1 3.41Å; N28-F280 VanDerWaalsContact OD1-CE1 3.28Å; N28-F280 WeakPolarHBondContact OD1-CE1 3.43Å; N28-F280 PolarHBondContact OD1-N 2.79Å; N28-D334 PolarHBondContact N-O 3.49Å; N28-T335 HydrophobicContact CB-CG2 3.82Å; N28-T335 CarbonylContact O-C 3.51Å; N28-T335 VanDerWaalsContact O-CA 3.31Å; N28-T335 WeakPolarHBondContact O-CA 3.22Å; N28-L336 PolarHBondContact O-N 2.87Å
29	I	98.9	Very high	81.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.3	-177.9	-64.7	160.7	0	0	0	108.2	P27 L31 L122 Y127 F280 L281 L282 L336 V407	P27-I29 HydrophobicContact CG-CG1 4.33Å; I29-L31 HydrophobicContact CG2-CD2 3.63Å; I29-L31 HydrophobicContact CG2-CG 3.94Å; I29-L122 HydrophobicContact CD1-CD2 3.55Å; I29-Y127 HydrophobicContact CD1-CE1 4.03Å; I29-F280 PolarHBondContact N-O 3.35Å; I29-L281 HydrophobicContact CB-CD1 4.06Å; I29-L281 HydrophobicContact CG2-CD1 3.65Å; I29-L281 CarbonylContact O-C 3.56Å; I29-L281 VanDerWaalsContact O-CA 3.31Å; I29-L281 WeakPolarHBondContact O-CA 3.19Å; I29-L282 PolarHBondContact O-N 2.79Å; I29-L336 WeakPolarHBondContact CA-O 3.41Å; I29-V407 HydrophobicContact CD1-CB 4.05Å; I29-V407 HydrophobicContact CD1-CG1 4.27Å; I29-V407 HydrophobicContact CG2-CG1 3.82Å
30	I	98.9	Very high	84.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.9	174.5	-57.5	-174.1	0	0	0	108.6	V32 I272 F280 L282 I322 L326 T335 L336 I337 Y338	I30-V32 HydrophobicContact CG2-CG2 3.82Å; I30-I272 HydrophobicContact CD1-CD1 3.93Å; I30-F280 HydrophobicContact CD1-CE2 4.05Å; I30-F280 HydrophobicContact CG1-CE2 3.81Å; I30-L282 CarbonylContact C-O 3.56Å; I30-L282 WeakPolarHBondContact CA-O 3.41Å; I30-L282 HydrophobicContact CD1-CD2 4.39Å; I30-L282 HydrophobicContact CG1-CB 4.21Å; I30-L282 HydrophobicContact CG1-CD2 4.47Å; I30-L282 HydrophobicContact CG2-CB 4.44Å; I30-L282 HydrophobicContact CG2-CD2 4.1Å; I30-L282 HydrophobicContact CG2-CG 4.36Å; I30-I322 HydrophobicContact CD1-CG2 3.98Å; I30-L326 HydrophobicContact CD1-CD1 3.81Å; I30-L326 HydrophobicContact CD1-CD2 4.11Å; I30-L326 HydrophobicContact CD1-CG 4.36Å; I30-T335 HydrophobicContact CD1-CG2 3.98Å; I30-T335 HydrophobicContact CG1-CG2 3.86Å; I30-L336 PolarHBondContact N-O 2.91Å; I30-I337 HydrophobicContact CB-CG1 4.42Å; I30-I337 HydrophobicContact CB-CG2 4.35Å; I30-I337 HydrophobicContact CG2-CG2 4.43Å; I30-I337 CarbonylContact O-C 3.28Å; I30-I337 WeakPolarHBondContact O-CA 3.26Å; I30-Y338 PolarHBondContact O-N 2.74Å
31	L	98.9	Very high	86.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	108.4	176.6	-48.9	-177.1	0	0	0	108.5	I29 F82 F118 L281 L282 V283 L284 Y338 I403 V407	I29-L31 HydrophobicContact CG2-CD2 3.63Å; I29-L31 HydrophobicContact CG2-CG 3.94Å; L31-F82 HydrophobicContact CB-CZ 4.02Å; L31-F82 HydrophobicContact CD1-CE1 4.48Å; L31-F82 HydrophobicContact CD1-CZ 3.75Å; L31-F82 HydrophobicContact CG-CZ 4.48Å; L31-F118 HydrophobicContact CD1-CD2 4.25Å; L31-F118 HydrophobicContact CD1-CE1 4.18Å; L31-F118 HydrophobicContact CD1-CE2 3.58Å; L31-F118 HydrophobicContact CD1-CZ 3.54Å; L31-L281 HydrophobicContact CD1-CD1 4.02Å; L31-L281 HydrophobicContact CG-CD1 4.14Å; L31-L282 PolarHBondContact N-O 2.93Å; L31-V283 HydrophobicContact CB-CG2 4.34Å; L31-V283 HydrophobicContact CD1-CG2 4.25Å; L31-V283 CarbonylContact O-C 3.56Å; L31-V283 WeakPolarHBondContact O-CA 3.44Å; L31-L284 PolarHBondContact O-N 2.92Å; L31-Y338 HydrophobicContact CB-CD1 4.43Å; L31-Y338 HydrophobicContact CD2-CD1 4.11Å; L31-Y338 HydrophobicContact CD2-CG 4.43Å; L31-I403 HydrophobicContact CD1-CG1 4.12Å; L31-I403 HydrophobicContact CD2-CD1 3.86Å; L31-I403 HydrophobicContact CD2-CG1 3.71Å; L31-V407 HydrophobicContact CD2-CG1 4.37Å
32	V	98.9	Very high	89.7	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.03	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121	179.1	-172.5	0	0	0	0	108.9	I30 L284 Y286 V319 I337 Y338 F339 T340	I30-V32 HydrophobicContact CG2-CG2 3.82Å; V32-L284 WeakPolarHBondContact CA-O 3.21Å; V32-Y286 HydrophobicContact CG1-CD2 4.06Å; V32-Y286 HydrophobicContact CG1-CE2 3.49Å; V32-Y286 VanDerWaalsContact CG1-CE2 3.49Å; V32-V319 HydrophobicContact CG1-CG2 4.18Å; V32-I337 HydrophobicContact CG2-CG2 4.48Å; V32-Y338 WeakPolarHBondContact CB-O 3.35Å; V32-Y338 PolarHBondContact N-O 3.05Å; V32-F339 HydrophobicContact CB-CD2 3.95Å; V32-F339 HydrophobicContact CG1-CD2 3.66Å; V32-F339 HydrophobicContact CG1-CE2 4.03Å; V32-F339 WeakPolarHBondContact O-CA 3.31Å; V32-T340 PolarHBondContact O-N 3.34Å
33	M	98.9	Very high	92.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.8	179.6	179.9	174	-79.5	0	0	109.7	R79 F82 L284 S285 Y286 T340 D342	M33-R79 HydrophobicContact SD-CG 4.07Å; M33-F82 HydrophobicContact CE-CB 4.06Å; M33-F82 HydrophobicContact CE-CD1 3.65Å; M33-F82 HydrophobicContact CE-CD2 3.54Å; M33-F82 HydrophobicContact CE-CE1 3.88Å; M33-F82 HydrophobicContact CE-CE2 3.77Å; M33-F82 HydrophobicContact CE-CG 3.47Å; M33-F82 VanDerWaalsContact CE-CG 3.47Å; M33-F82 HydrophobicContact CE-CZ 3.95Å; M33-L284 PolarHBondContact N-O 3.29Å; M33-S285 CarbonylContact O-C 3.51Å; M33-S285 WeakPolarHBondContact O-CA 3.26Å; M33-Y286 PolarHBondContact O-N 2.92Å; M33-T340 WeakPolarHBondContact CA-O 3.19Å; M33-T340 HydrophobicContact CB-CG2 4.42Å; M33-T340 HydrophobicContact CE-CG2 3.89Å; M33-T340 HydrophobicContact CG-CG2 4.33Å; M33-D342 HydrophobicContact CE-CB 4.43Å; M33-D342 HydrophobicContact CG-CB 4.26Å; M33-D342 HydrophobicContact SD-CB 3.77Å
34	A	98.8	Very high	94.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	161.7	165.3	0	0	0	0	0	110.7	L37 M315 F339 T340 S341 D342	A34-L37 HydrophobicContact CB-CB 3.63Å; A34-L37 HydrophobicContact CB-CD2 3.96Å; A34-L37 HydrophobicContact CB-CG 4.45Å; A34-M315 HydrophobicContact CB-CE 4.19Å; A34-M315 HydrophobicContact CB-SD 3.53Å; A34-M315 VanDerWaalsContact CB-SD 3.53Å; A34-F339 HydrophobicContact CB-CZ 4.36Å; A34-T340 PolarHBondContact N-O 2.68Å; A34-S341 WeakPolarHBondContact O-CA 3.34Å; A34-D342 PolarHBondContact O-N 3.42Å
35	D	98.5	Very high	96.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-114.5	116.2	-179.9	-159.6	10.3	0	0	0	109.2	L37 R79 K134 H288 V289 H290	D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 PolarHBondContact O-N 2.89Å; D35-R79 IonicContact OD1-NH2 2.71Å; D35-K134 IonicContact OD1-NZ 2.84Å; D35-K134 PolarHBondContact OD1-NZ 2.73Å; D35-K134 WeakPolarHBondContact OD2-CD 3.42Å; D35-K134 WeakPolarHBondContact OD2-CE 3.41Å; D35-K134 IonicContact OD2-NZ 3.9Å; D35-K134 PolarHBondContact OD2-NZ 3.22Å; D35-H288 WeakPolarHBondContact CB-O 3.47Å; D35-H288 PolarHBondContact N-O 3.33Å; D35-H288 CarbonylContact O-C 3.57Å; D35-V289 CarbonylContact O-C 3.54Å; D35-V289 WeakPolarHBondContact O-CA 3.32Å; D35-V289 WeakPolarHBondContact O-CG2 3.28Å; D35-V289 PolarHBondContact O-N 2.84Å; D35-H290 HydrophobicContact CB-CB 3.89Å; D35-H290 VanDerWaalsContact CG-CB 3.41Å; D35-H290 PolarHBondContact O-N 2.72Å; D35-H290 IonicContact OD1-CD2 3.77Å; D35-H290 WeakPolarHBondContact OD2-CB 3.35Å; D35-H290 IonicContact OD2-CD2 3.27Å; D35-H290 IonicContact OD2-CG 3.32Å
36	D	98	Very high	98.2	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.037	9%	0.085	C	C	.	.	S	Bend	trans	62.6	19	-176.6	-56	-22	0	0	0	116	G38 H290 D342 Q343 A345 K368	D36-G38 PolarHBondContact O-N 3.14Å; D36-H290 IonicContact OD1-CD2 2.67Å; D36-H290 IonicContact OD2-CD2 3.59Å; D36-H290 PolarHBondContact OD2-CD2 2.71Å; D36-H290 IonicContact OD2-CG 3.7Å; D36-H290 IonicContact OD2-NE2 2.88Å; D36-D342 PolarHBondContact N-OD1 2.85Å; D36-Q343 PolarHBondContact OD1-NE2 3.09Å; D36-Q343 PolarHBondContact OD1-OE1 3.35Å; D36-Q343 VanDerWaalsContact OD1-OE1 3.11Å; D36-A345 VanDerWaalsContact O-CA 3.3Å; D36-A345 WeakPolarHBondContact O-CA 3.34Å; D36-K368 WeakPolarHBondContact OD1-CD 3.21Å; D36-K368 VanDerWaalsContact OD1-CE 3.3Å; D36-K368 WeakPolarHBondContact OD1-CE 3.22Å; D36-K368 IonicContact OD1-NZ 2.84Å; D36-K368 PolarHBondContact OD1-NZ 2.82Å; D36-K368 IonicContact OD2-NZ 3.67Å; D36-K368 PolarHBondContact OD2-NZ 2.95Å
37	L	98.6	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.072	C	C	.	.			trans	-73.2	118.9	175.7	-177.7	73.7	0	0	0	110.4	A34 D35 D41 P42 V289 V312 M315 F339 S341 P379	A34-L37 HydrophobicContact CB-CB 3.63Å; A34-L37 HydrophobicContact CB-CD2 3.96Å; A34-L37 HydrophobicContact CB-CG 4.45Å; D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 PolarHBondContact O-N 2.89Å; L37-D41 HydrophobicContact CD1-CB 3.65Å; L37-D41 HydrophobicContact CG-CB 4.38Å; L37-P42 HydrophobicContact CD2-CG 4.07Å; L37-V289 HydrophobicContact CB-CG2 4.12Å; L37-V289 HydrophobicContact CD1-CG2 4.2Å; L37-V312 HydrophobicContact CD1-CG1 4.24Å; L37-V312 HydrophobicContact CD1-CG2 4.05Å; L37-M315 HydrophobicContact CD1-CE 4.2Å; L37-M315 HydrophobicContact CD2-CE 3.85Å; L37-F339 HydrophobicContact CD2-CE1 3.78Å; L37-F339 HydrophobicContact CD2-CZ 3.59Å; L37-S341 PolarHBondContact N-OG 2.9Å; L37-S341 VanDerWaalsContact O-CB 3.25Å; L37-S341 WeakPolarHBondContact O-CB 3.24Å; L37-S341 PolarHBondContact O-OG 2.62Å; L37-P379 HydrophobicContact CD2-CG 4.26Å
38	G	98.3	Very high	98.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.114	C	C	.	.			trans	-72.2	148.2	179.2	0	0	0	0	0	112.6	D36 G40 D41 P42 S360 N361	D36-G38 PolarHBondContact O-N 3.14Å; G38-G40 PolarHBondContact O-N 2.65Å; G38-G40 VanDerWaalsContact O-N 3.13Å; G38-D41 VanDerWaalsContact CA-OD2 3.3Å; G38-D41 WeakPolarHBondContact CA-OD2 3.44Å; G38-D41 PolarHBondContact N-OD2 3.33Å; G38-D41 WeakPolarHBondContact O-CB 3.47Å; G38-D41 PolarHBondContact O-N 3.02Å; G38-P42 WeakPolarHBondContact O-CD 2.7Å; G38-S360 CarbonylContact C-O 3.51Å; G38-S360 WeakPolarHBondContact CA-O 3.17Å; G38-N361 VanDerWaalsContact CA-OD1 3.29Å; G38-N361 WeakPolarHBondContact CA-OD1 3.34Å
39	I	98.6	Very high	98.3	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.5	175.8	178.9	63.5	0	0	0	113	Y45 N361 Y364 R377 P379	I39-Y45 HydrophobicContact CD1-CD1 3.3Å; I39-Y45 HydrophobicContact CD1-CD2 4.33Å; I39-Y45 HydrophobicContact CD1-CE1 3.35Å; I39-Y45 HydrophobicContact CD1-CE2 4.36Å; I39-Y45 HydrophobicContact CD1-CG 3.81Å; I39-Y45 HydrophobicContact CG1-CD1 4.22Å; I39-Y45 WeakPolarHBondContact O-CB 3.46Å; I39-N361 HydrophobicContact CG2-CB 4.22Å; I39-Y364 HydrophobicContact CG1-CD2 4.38Å; I39-Y364 HydrophobicContact CG1-CE2 3.91Å; I39-Y364 HydrophobicContact CG2-CD2 3.43Å; I39-Y364 VanDerWaalsContact CG2-CD2 3.43Å; I39-Y364 HydrophobicContact CG2-CE2 3.84Å; I39-Y364 HydrophobicContact CG2-CG 4.49Å; I39-R377 HydrophobicContact CG1-CG 4.42Å; I39-P379 HydrophobicContact CD1-CG 4.32Å
40	G	98.2	Very high	98.1	Very high	11 Å²	11	22 Å²	22	11%	0.113	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.3	178.8	0	0	0	0	0	114.8	G38 N47 S360	G38-G40 PolarHBondContact O-N 2.65Å; G38-G40 VanDerWaalsContact O-N 3.13Å; G40-N47 WeakPolarHBondContact O-CB 3.11Å; G40-N47 PolarHBondContact O-ND2 3.03Å; G40-S360 CarbonylContact C-O 3.34Å; G40-S360 WeakPolarHBondContact CA-O 3.43Å; G40-S360 PolarHBondContact N-O 2.78Å
41	D	98.4	Very high	98.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.153	C	C	.	.	S	Bend	trans	-87.1	-45.6	-177.6	-70.2	-51.8	0	0	0	113.9	L37 G38 N47 L50 Y308 G359 S360	L37-D41 HydrophobicContact CD1-CB 3.65Å; L37-D41 HydrophobicContact CG-CB 4.38Å; G38-D41 VanDerWaalsContact CA-OD2 3.3Å; G38-D41 WeakPolarHBondContact CA-OD2 3.44Å; G38-D41 PolarHBondContact N-OD2 3.33Å; G38-D41 WeakPolarHBondContact O-CB 3.47Å; G38-D41 PolarHBondContact O-N 3.02Å; D41-N47 WeakPolarHBondContact O-CB 3.37Å; D41-N47 VanDerWaalsContact O-CG 3.29Å; D41-N47 PolarHBondContact O-ND2 3.25Å; D41-L50 HydrophobicContact CB-CD1 3.85Å; D41-L50 WeakPolarHBondContact O-CD1 3.49Å; D41-Y308 VanDerWaalsContact CG-OH 3.29Å; D41-Y308 PolarHBondContact OD2-OH 3.38Å; D41-G359 WeakPolarHBondContact OD2-CA 3.43Å; D41-S360 VanDerWaalsContact CG-N 3.3Å; D41-S360 PolarHBondContact N-O 3.28Å; D41-S360 WeakPolarHBondContact OD1-CB 2.77Å; D41-S360 PolarHBondContact OD1-N 2.94Å; D41-S360 PolarHBondContact OD2-N 3.13Å
42	P	98.7	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-67.8	146.9	178.8	-19.6	32.4	0	0	0	113.1	L37 G38 C44 Y45 G46 N47 I55 P379	L37-P42 HydrophobicContact CD2-CG 4.07Å; G38-P42 WeakPolarHBondContact O-CD 2.7Å; P42-C44 VanDerWaalsContact C-N 3.34Å; P42-C44 PolarHBondContact O-N 3.29Å; P42-Y45 HydrophobicContact CB-CD2 4.13Å; P42-Y45 HydrophobicContact CG-CD2 4.24Å; P42-Y45 PolarHBondContact O-N 3.39Å; P42-G46 PolarHBondContact O-N 3.44Å; P42-N47 PolarHBondContact O-N 2.89Å; P42-I55 HydrophobicContact CB-CG2 4.31Å; P42-P379 HydrophobicContact CG-CG 4.11Å
43	G	98.5	Very high	98	Very high	20 Å²	20	32 Å²	32	21%	0.206	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-57.2	-44.7	178.4	0	0	0	0	0	112.9	Y45 G46 N47 T52 D56	G43-Y45 PolarHBondContact O-N 3.29Å; G43-G46 PolarHBondContact O-N 3.12Å; G43-N47 WeakPolarHBondContact CA-O 3.46Å; G43-T52 PolarHBondContact N-OG1 2.81Å; G43-D56 PolarHBondContact N-OD1 3.35Å
44	C	98.4	Very high	98	Very high	24 Å²	24	33.5 Å²	33.5	16%	0.162	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63.7	-10.9	177	58.5	0	0	0	0	114.4	P42 D56 A59 K64	P42-C44 VanDerWaalsContact C-N 3.34Å; P42-C44 PolarHBondContact O-N 3.29Å; C44-D56 HydrophobicContact CB-CB 4.29Å; C44-D56 VanDerWaalsContact CB-OD1 3.29Å; C44-D56 WeakPolarHBondContact CB-OD1 3.28Å; C44-D56 PolarHBondContact N-OD1 2.68Å; C44-D56 PolarHBondContact SG-OD1 2.79Å; C44-A59 HydrophobicContact CB-CB 3.88Å; C44-K64 WeakPolarHBondContact O-CD 3.49Å; C44-K64 PolarHBondContact O-NZ 3.24Å
45	Y	98.5	Very high	98	Very high	44 Å²	44	33.5 Å²	33.5	17%	0.173	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-106.6	2.6	172.8	-76.7	-82	0	0	0	114.4	I39 P42 G43 K64 L65 P379 G380 I381	I39-Y45 HydrophobicContact CD1-CD1 3.3Å; I39-Y45 HydrophobicContact CD1-CD2 4.33Å; I39-Y45 HydrophobicContact CD1-CE1 3.35Å; I39-Y45 HydrophobicContact CD1-CE2 4.36Å; I39-Y45 HydrophobicContact CD1-CG 3.81Å; I39-Y45 HydrophobicContact CG1-CD1 4.22Å; I39-Y45 WeakPolarHBondContact O-CB 3.46Å; P42-Y45 HydrophobicContact CB-CD2 4.13Å; P42-Y45 HydrophobicContact CG-CD2 4.24Å; P42-Y45 PolarHBondContact O-N 3.39Å; G43-Y45 PolarHBondContact O-N 3.29Å; Y45-K64 HydrophobicContact CD1-CD 4.25Å; Y45-K64 HydrophobicContact CD2-CD 4.46Å; Y45-K64 HydrophobicContact CE1-CD 3.91Å; Y45-K64 HydrophobicContact CE1-CG 3.82Å; Y45-K64 HydrophobicContact CE2-CD 4.14Å; Y45-K64 HydrophobicContact CE2-CG 4.09Å; Y45-K64 WeakPolarHBondContact OH-CG 3.27Å; Y45-L65 WeakPolarHBondContact CE1-O 3.5Å; Y45-L65 PolarHBondContact OH-O 2.84Å; Y45-P379 HydrophobicContact CD2-CB 4.37Å; Y45-P379 HydrophobicContact CE2-CB 3.85Å; Y45-G380 PolarHBondContact OH-N 2.7Å; Y45-G380 PolarHBondContact OH-O 3.18Å; Y45-I381 HydrophobicContact CE2-CD1 4.17Å; Y45-I381 HydrophobicContact CE2-CG1 4.06Å
46	G	97.1	Very high	98.1	Very high	55 Å²	55	35.4 Å²	35.4	57%	0.567	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	122	-5.4	167.5	0	0	0	0	0	115.2	P42 G43	P42-G46 PolarHBondContact O-N 3.44Å; G43-G46 PolarHBondContact O-N 3.12Å
47	N	97.7	Very high	98.1	Very high	23 Å²	23	38.7 Å²	38.7	12%	0.123	21%	0.207	C	C	.	.			trans	-64.5	142.4	170.8	-158.1	-61.2	0	0	0	110.2	G40 D41 P42 G43 T49 L50	G40-N47 WeakPolarHBondContact O-CB 3.11Å; G40-N47 PolarHBondContact O-ND2 3.03Å; D41-N47 WeakPolarHBondContact O-CB 3.37Å; D41-N47 VanDerWaalsContact O-CG 3.29Å; D41-N47 PolarHBondContact O-ND2 3.25Å; P42-N47 PolarHBondContact O-N 2.89Å; G43-N47 WeakPolarHBondContact CA-O 3.46Å; N47-T49 PolarHBondContact OD1-N 3.1Å; N47-T49 PolarHBondContact OD1-OG1 3.5Å; N47-L50 PolarHBondContact OD1-N 3.41Å
48	K	96.7	Very high	98.1	Very high	199 Å²	199	38.7 Å²	38.7	87%	0.865	21%	0.207	S	C	*	.	S	Bend	trans	-119.2	-1.6	-177.6	-61.5	-173.4	-179.7	-177.2	0	113.3
49	T	96.1	Very high	98.1	Very high	57 Å²	57	39.1 Å²	39.1	35%	0.35	21%	0.21	S	C	.	.	S	Bend	trans	-125.7	-32.9	-169.5	39.5	0	0	0	0	113.1	N47 K304 H305	N47-T49 PolarHBondContact OD1-N 3.1Å; N47-T49 PolarHBondContact OD1-OG1 3.5Å; T49-K304 HydrophobicContact CG2-CD 4.13Å; T49-H305 PolarHBondContact OG1-NE2 3.49Å
50	L	96.1	Very high	98.1	Very high	10 Å²	10	43 Å²	43	5%	0.052	24%	0.238	C	C	.	.	S	Bend	trans	-70.5	137.3	167.7	-74.8	176	0	0	0	110.3	D41 N47 T52 H305 Y308 G309 V312	D41-L50 HydrophobicContact CB-CD1 3.85Å; D41-L50 WeakPolarHBondContact O-CD1 3.49Å; N47-L50 PolarHBondContact OD1-N 3.41Å; L50-T52 PolarHBondContact O-N 3.41Å; L50-H305 HydrophobicContact CD2-CB 3.69Å; L50-H305 HydrophobicContact CG-CB 4.45Å; L50-Y308 HydrophobicContact CD1-CE1 4.46Å; L50-G309 VanDerWaalsContact CD2-CA 3.47Å; L50-V312 HydrophobicContact CD1-CG1 4.45Å
51	R	97.6	Very high	98	Very high	133 Å²	133	43.4 Å²	43.4	50%	0.502	24%	0.242	S	C	.	.			trans	-94.4	97.5	178.3	-53	-175.4	-171.9	108.2	-3.3	110.2	P53 K302 E313	R51-P53 WeakPolarHBondContact O-CD 3.15Å; R51-K302 PolarHBondContact NH1-O 3.02Å; R51-E313 HydrophobicContact CB-CG 3.87Å; R51-E313 WeakPolarHBondContact CD-OE2 3.36Å; R51-E313 IonicContact CZ-OE2 3.2Å; R51-E313 IonicContact NE-OE2 3.92Å; R51-E313 IonicContact NH1-OE1 3.58Å; R51-E313 IonicContact NH1-OE2 3.86Å; R51-E313 PolarHBondContact NH1-OE2 3.03Å; R51-E313 WeakPolarHBondContact O-CG 3.18Å
52	T	98.6	Very high	98	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.242	C	C	.	.			trans	-117.4	49.6	173	60.5	0	0	0	0	113.2	G43 L50 N54 I55 D56 V312 D316	G43-T52 PolarHBondContact N-OG1 2.81Å; L50-T52 PolarHBondContact O-N 3.41Å; T52-N54 VanDerWaalsContact C-N 3.25Å; T52-N54 PolarHBondContact O-N 3.49Å; T52-I55 HydrophobicContact CG2-CD1 4.38Å; T52-I55 PolarHBondContact O-N 2.67Å; T52-D56 WeakPolarHBondContact O-CB 3.33Å; T52-D56 PolarHBondContact O-N 2.88Å; T52-D56 PolarHBondContact OG1-OD1 3.08Å; T52-D56 VanDerWaalsContact OG1-OD1 3.13Å; T52-V312 HydrophobicContact CG2-CG1 3.71Å; T52-D316 VanDerWaalsContact C-CG 3.43Å; T52-D316 WeakPolarHBondContact CA-OD1 3.45Å; T52-D316 HydrophobicContact CG2-CB 4.43Å
53	P	98.6	Very high	98	Very high	80 Å²	80	43.4 Å²	43.4	52%	0.519	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-29	-172	26.9	-37	0	0	0	114	R51 R57 D316	R51-P53 WeakPolarHBondContact O-CD 3.15Å; P53-R57 VanDerWaalsContact O-CB 3.29Å; P53-R57 WeakPolarHBondContact O-CB 3.48Å; P53-R57 PolarHBondContact O-N 2.61Å; P53-D316 WeakPolarHBondContact CD-OD2 3.32Å
54	N	98.9	Very high	98	Very high	34 Å²	34	45 Å²	45	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-80.6	-38.2	-178.2	-64.1	-73.2	0	0	0	112.3	T52 D56 R57 L58 D316 V319 G320	T52-N54 VanDerWaalsContact C-N 3.25Å; T52-N54 PolarHBondContact O-N 3.49Å; N54-D56 VanDerWaalsContact C-N 3.32Å; N54-R57 WeakPolarHBondContact O-CB 3.31Å; N54-R57 PolarHBondContact O-N 3.42Å; N54-L58 PolarHBondContact O-N 3.03Å; N54-D316 WeakPolarHBondContact CB-O 2.96Å; N54-D316 WeakPolarHBondContact CB-OD2 3.41Å; N54-D316 PolarHBondContact N-OD1 3.05Å; N54-D316 PolarHBondContact N-OD2 2.91Å; N54-D316 PolarHBondContact ND2-O 2.8Å; N54-D316 PolarHBondContact ND2-OD2 3.36Å; N54-V319 HydrophobicContact CB-CG1 4.47Å; N54-G320 VanDerWaalsContact OD1-CA 3.23Å; N54-G320 WeakPolarHBondContact OD1-CA 3.17Å
55	I	98.9	Very high	98	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-40.4	170.9	-65.7	163	0	0	0	109.6	P42 T52 R57 L58 A59 M315 D316 V319 F339 I381	P42-I55 HydrophobicContact CB-CG2 4.31Å; T52-I55 HydrophobicContact CG2-CD1 4.38Å; T52-I55 PolarHBondContact O-N 2.67Å; I55-R57 VanDerWaalsContact C-N 3.34Å; I55-R57 PolarHBondContact O-N 2.96Å; I55-L58 WeakPolarHBondContact O-CA 3.06Å; I55-L58 VanDerWaalsContact O-CB 3.27Å; I55-L58 WeakPolarHBondContact O-CB 3.08Å; I55-L58 PolarHBondContact O-N 3.01Å; I55-L58 VanDerWaalsContact O-N 3.1Å; I55-A59 PolarHBondContact O-N 2.88Å; I55-M315 HydrophobicContact CD1-CE 4.06Å; I55-D316 WeakPolarHBondContact CB-OD1 3.42Å; I55-D316 HydrophobicContact CD1-CB 4.12Å; I55-D316 VanDerWaalsContact CG1-OD1 3.28Å; I55-D316 WeakPolarHBondContact CG1-OD1 3.45Å; I55-D316 PolarHBondContact N-OD1 3.35Å; I55-V319 HydrophobicContact CG1-CB 4.49Å; I55-V319 HydrophobicContact CG1-CG1 4.39Å; I55-V319 HydrophobicContact CG1-CG2 4.36Å; I55-F339 HydrophobicContact CD1-CE1 4.21Å; I55-F339 HydrophobicContact CD1-CE2 3.79Å; I55-F339 HydrophobicContact CD1-CZ 3.53Å; I55-F339 HydrophobicContact CG1-CD2 4.39Å; I55-F339 HydrophobicContact CG1-CE1 4.5Å; I55-F339 HydrophobicContact CG1-CE2 4Å; I55-F339 HydrophobicContact CG1-CZ 4.06Å; I55-F339 HydrophobicContact CG2-CD1 4.13Å; I55-F339 HydrophobicContact CG2-CE1 4Å; I55-F339 HydrophobicContact CG2-CZ 4.38Å; I55-I381 HydrophobicContact CG2-CD1 3.57Å
56	D	98.8	Very high	98	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.214	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-41	175.7	-63	-12.7	0	0	0	111.2	G43 C44 T52 N54 L58 A59 S60	G43-D56 PolarHBondContact N-OD1 3.35Å; C44-D56 HydrophobicContact CB-CB 4.29Å; C44-D56 VanDerWaalsContact CB-OD1 3.29Å; C44-D56 WeakPolarHBondContact CB-OD1 3.28Å; C44-D56 PolarHBondContact N-OD1 2.68Å; C44-D56 PolarHBondContact SG-OD1 2.79Å; T52-D56 WeakPolarHBondContact O-CB 3.33Å; T52-D56 PolarHBondContact O-N 2.88Å; T52-D56 PolarHBondContact OG1-OD1 3.08Å; T52-D56 VanDerWaalsContact OG1-OD1 3.13Å; N54-D56 VanDerWaalsContact C-N 3.32Å; D56-L58 VanDerWaalsContact C-N 3.29Å; D56-L58 PolarHBondContact O-N 2.74Å; D56-A59 PolarHBondContact O-N 2.8Å; D56-S60 PolarHBondContact O-N 3.43Å; D56-S60 PolarHBondContact O-OG 2.95Å
57	R	98.5	Very high	98.1	Very high	77 Å²	77	40.8 Å²	40.8	29%	0.291	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-37.9	171.7	-179.5	174	67.5	113.2	-17.7	112.2	P53 N54 I55 G61 N324 D327	P53-R57 VanDerWaalsContact O-CB 3.29Å; P53-R57 WeakPolarHBondContact O-CB 3.48Å; P53-R57 PolarHBondContact O-N 2.61Å; N54-R57 WeakPolarHBondContact O-CB 3.31Å; N54-R57 PolarHBondContact O-N 3.42Å; I55-R57 VanDerWaalsContact C-N 3.34Å; I55-R57 PolarHBondContact O-N 2.96Å; R57-G61 PolarHBondContact O-N 3.06Å; R57-N324 PolarHBondContact NH2-OD1 3.09Å; R57-D327 IonicContact NH1-OD2 3.74Å; R57-D327 PolarHBondContact NH1-OD2 3.2Å
58	L	98.1	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-46.4	175.2	-156.2	163.3	0	0	0	110.3	N54 I55 D56 G61 G62 V319 I337 F339 I381 R383	N54-L58 PolarHBondContact O-N 3.03Å; I55-L58 WeakPolarHBondContact O-CA 3.06Å; I55-L58 VanDerWaalsContact O-CB 3.27Å; I55-L58 WeakPolarHBondContact O-CB 3.08Å; I55-L58 PolarHBondContact O-N 3.01Å; I55-L58 VanDerWaalsContact O-N 3.1Å; D56-L58 VanDerWaalsContact C-N 3.29Å; D56-L58 PolarHBondContact O-N 2.74Å; L58-G61 PolarHBondContact O-N 3.17Å; L58-G62 PolarHBondContact O-N 3.32Å; L58-V319 HydrophobicContact CD1-CG1 4.33Å; L58-I337 HydrophobicContact CD1-CG2 3.83Å; L58-F339 HydrophobicContact CD1-CB 4.27Å; L58-I381 HydrophobicContact CD2-CB 3.97Å; L58-I381 HydrophobicContact CD2-CG2 3.31Å; L58-I381 HydrophobicContact CG-CG2 4.49Å; L58-R383 HydrophobicContact CD2-CB 3.61Å; L58-R383 HydrophobicContact CG-CB 4.14Å
59	A	98.6	Very high	98.2	Very high	8 Å²	8	30.4 Å²	30.4	7%	0.066	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-45.8	177.7	0	0	0	0	0	112.9	C44 I55 D56 G61 G62 I381	C44-A59 HydrophobicContact CB-CB 3.88Å; I55-A59 PolarHBondContact O-N 2.88Å; D56-A59 PolarHBondContact O-N 2.8Å; A59-G61 PolarHBondContact O-N 3.33Å; A59-G62 CarbonylContact O-C 3.51Å; A59-G62 PolarHBondContact O-N 3.35Å; A59-I381 VanDerWaalsContact CA-CG2 3.49Å; A59-I381 HydrophobicContact CB-CD1 4.13Å; A59-I381 HydrophobicContact CB-CG1 4.48Å; A59-I381 HydrophobicContact CB-CG2 3.93Å
60	S	98.4	Very high	98.4	Very high	86 Å²	86	27.7 Å²	27.7	60%	0.601	15%	0.147	S	C	*	.	H	α-helix	trans	-64.1	-29.2	176.7	-64.8	0	0	0	0	112.9	D56 G391	D56-S60 PolarHBondContact O-N 3.43Å; D56-S60 PolarHBondContact O-OG 2.95Å; S60-G391 PolarHBondContact O-N 2.79Å
61	G	97.8	Very high	98.5	Very high	20 Å²	20	27.4 Å²	27.4	21%	0.206	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.5	178.2	0	0	0	0	0	115.1	R57 L58 A59	R57-G61 PolarHBondContact O-N 3.06Å; L58-G61 PolarHBondContact O-N 3.17Å; A59-G61 PolarHBondContact O-N 3.33Å
62	G	97.7	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-155.1	-142	-174.4	0	0	0	0	0	113.1	L58 A59 L382 G391 Q392	L58-G62 PolarHBondContact O-N 3.32Å; A59-G62 CarbonylContact O-C 3.51Å; A59-G62 PolarHBondContact O-N 3.35Å; G62-L382 CarbonylContact C-O 3.17Å; G62-L382 WeakPolarHBondContact CA-O 3.44Å; G62-G391 CarbonylContact O-C 3.23Å; G62-G391 PolarHBondContact O-N 3.03Å; G62-Q392 PolarHBondContact O-N 2.83Å
63	V	98.5	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.7	179.6	168.9	0	0	0	0	110.4	L65 I381 L382 I388 Q392 I394 L430	V63-L65 HydrophobicContact CG1-CD2 3.8Å; V63-I381 WeakPolarHBondContact O-CA 3.31Å; V63-I381 WeakPolarHBondContact O-CG2 3.39Å; V63-L382 PolarHBondContact N-O 3.38Å; V63-L382 PolarHBondContact O-N 3.2Å; V63-I388 HydrophobicContact CB-CG2 4.2Å; V63-I388 HydrophobicContact CG2-CG2 3.32Å; V63-Q392 CarbonylContact C-O 3.59Å; V63-Q392 WeakPolarHBondContact CA-O 3.29Å; V63-Q392 HydrophobicContact CG2-CB 3.75Å; V63-Q392 HydrophobicContact CG2-CG 4.07Å; V63-I394 HydrophobicContact CG1-CB 4.33Å; V63-I394 HydrophobicContact CG1-CD1 3.47Å; V63-I394 VanDerWaalsContact CG1-CD1 3.47Å; V63-I394 HydrophobicContact CG1-CG1 3.76Å; V63-I394 HydrophobicContact CG2-CD1 4.44Å; V63-L430 HydrophobicContact CB-CD2 4Å; V63-L430 HydrophobicContact CG1-CD2 3.88Å; V63-L430 HydrophobicContact CG2-CD2 4.01Å
64	K	98.7	Very high	98.5	Very high	53 Å²	53	18.4 Å²	18.4	23%	0.23	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.4	167.1	-172.4	175.9	68.2	-172.7	0	110.9	C44 Y45 Q392 K393 I394	C44-K64 WeakPolarHBondContact O-CD 3.49Å; C44-K64 PolarHBondContact O-NZ 3.24Å; Y45-K64 HydrophobicContact CD1-CD 4.25Å; Y45-K64 HydrophobicContact CD2-CD 4.46Å; Y45-K64 HydrophobicContact CE1-CD 3.91Å; Y45-K64 HydrophobicContact CE1-CG 3.82Å; Y45-K64 HydrophobicContact CE2-CD 4.14Å; Y45-K64 HydrophobicContact CE2-CG 4.09Å; Y45-K64 WeakPolarHBondContact OH-CG 3.27Å; K64-Q392 PolarHBondContact N-O 2.75Å; K64-K393 WeakPolarHBondContact O-CA 3.45Å; K64-I394 PolarHBondContact O-N 2.91Å
65	L	98.8	Very high	98.4	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.9	172.7	-52.1	179.8	0	0	0	109.2	Y45 V63 H68 G380 L382 I394	Y45-L65 WeakPolarHBondContact CE1-O 3.5Å; Y45-L65 PolarHBondContact OH-O 2.84Å; V63-L65 HydrophobicContact CG1-CD2 3.8Å; L65-H68 HydrophobicContact CB-CB 3.91Å; L65-H68 HydrophobicContact CD1-CB 4.2Å; L65-H68 WeakPolarHBondContact CD1-ND1 3.4Å; L65-G380 WeakPolarHBondContact CA-O 3.26Å; L65-G380 VanDerWaalsContact CB-O 3.26Å; L65-G380 WeakPolarHBondContact CB-O 3.28Å; L65-G380 WeakPolarHBondContact CG-O 3.3Å; L65-G380 PolarHBondContact N-O 3.4Å; L65-L382 HydrophobicContact CD1-CD1 3.63Å; L65-L382 HydrophobicContact CD2-CD1 4.47Å; L65-L382 HydrophobicContact CG-CD1 4.06Å; L65-I394 HydrophobicContact CD2-CB 3.83Å; L65-I394 HydrophobicContact CD2-CD1 3.99Å; L65-I394 HydrophobicContact CD2-CG1 4.41Å; L65-I394 HydrophobicContact CD2-CG2 4.16Å
66	T	98.3	Very high	98.4	Very high	19 Å²	19	16.9 Å²	16.9	12%	0.117	10%	0.095	C	C	.	.	S	Bend	trans	-103.8	-10.6	-179.7	66	0	0	0	0	113.7	R377 K393 I394 D395	T66-R377 PolarHBondContact O-NH1 3.1Å; T66-K393 HydrophobicContact CG2-CD 3.77Å; T66-K393 HydrophobicContact CG2-CG 3.67Å; T66-I394 PolarHBondContact N-O 2.75Å; T66-I394 PolarHBondContact OG1-O 2.77Å; T66-D395 WeakPolarHBondContact CB-OD1 3.39Å; T66-D395 WeakPolarHBondContact OG1-CA 3.48Å; T66-D395 PolarHBondContact OG1-OD1 2.89Å
67	Q	98.1	Very high	98.4	Very high	15 Å²	15	15 Å²	15	7%	0.07	9%	0.085	C	C	.	.	S	Bend	trans	-125.7	49.7	172.5	-63.9	-143.8	-1.8	0	0	111.5	D395 T398 I463	Q67-D395 VanDerWaalsContact CG-O 3.29Å; Q67-D395 WeakPolarHBondContact CG-O 3.34Å; Q67-T398 PolarHBondContact O-N 2.84Å; Q67-T398 PolarHBondContact O-OG1 2.92Å; Q67-I463 VanDerWaalsContact CD-CD1 3.49Å
68	H	98.9	Very high	98.5	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.009	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.3	173.8	-156	51	0	0	0	111.1	L65 Y338 R377 V378 T398 S399 N400	L65-H68 HydrophobicContact CB-CB 3.91Å; L65-H68 HydrophobicContact CD1-CB 4.2Å; L65-H68 WeakPolarHBondContact CD1-ND1 3.4Å; H68-Y338 AromaticContact NE2-CE2 3.49Å; H68-Y338 WeakPolarHBondContact NE2-CE2 3.17Å; H68-Y338 AromaticContact NE2-CZ 3.48Å; H68-Y338 PolarHBondContact NE2-OH 2.71Å; H68-R377 WeakPolarHBondContact O-CA 3.33Å; H68-V378 HydrophobicContact CB-CG2 4.41Å; H68-V378 PolarHBondContact O-N 3.33Å; H68-T398 CarbonylContact C-O 3.56Å; H68-T398 WeakPolarHBondContact CA-OG1 3.21Å; H68-T398 PolarHBondContact ND1-OG1 3.34Å; H68-S399 PolarHBondContact CE1-O 3.31Å; H68-N400 PolarHBondContact CD2-OD1 3.22Å; H68-N400 PolarHBondContact NE2-OD1 3.09Å; H68-N400 VanDerWaalsContact NE2-OD1 3.12Å
69	L	98.9	Very high	98.5	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114	-164.4	-56.8	164.9	0	0	0	111.5	I376 R377 P397 T398 S399 N400 L442	L69-I376 CarbonylContact C-O 3.46Å; L69-I376 VanDerWaalsContact CA-O 3.29Å; L69-I376 WeakPolarHBondContact CA-O 3.33Å; L69-I376 HydrophobicContact CD2-CD1 4.34Å; L69-I376 HydrophobicContact CD2-CG1 4.36Å; L69-R377 HydrophobicContact CD2-CB 4.26Å; L69-P397 HydrophobicContact CD1-CB 4.33Å; L69-T398 VanDerWaalsContact CB-O 3.25Å; L69-T398 WeakPolarHBondContact CB-O 3Å; L69-T398 WeakPolarHBondContact CG-O 3.43Å; L69-T398 PolarHBondContact N-O 3.48Å; L69-S399 CarbonylContact O-C 3.57Å; L69-S399 WeakPolarHBondContact O-CA 3.03Å; L69-S399 PolarHBondContact O-OG 2.8Å; L69-N400 PolarHBondContact O-N 3.23Å; L69-L442 HydrophobicContact CD1-CD1 3.43Å; L69-L442 VanDerWaalsContact CD1-CD1 3.43Å
70	A	98.8	Very high	98.5	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.008	7%	0.069	C	C	.	.			trans	-59.1	140.1	164.6	0	0	0	0	0	110.2	S72 D342 Q343 I376 V378	A70-S72 PolarHBondContact O-N 3.33Å; A70-D342 WeakPolarHBondContact CB-O 3.44Å; A70-Q343 HydrophobicContact CB-CB 4.38Å; A70-I376 PolarHBondContact N-O 3.18Å; A70-V378 HydrophobicContact CB-CG1 4.07Å; A70-V378 HydrophobicContact CB-CG2 4.5Å
71	A	98.4	Very high	98.5	Very high	4 Å²	4	7 Å²	7	3%	0.033	4%	0.041	C	C	.	.	S	Bend	trans	-71.4	-15.2	-178.7	0	0	0	0	0	113.2	A81 M401	A71-A81 HydrophobicContact CB-CB 3.44Å; A71-A81 VanDerWaalsContact CB-CB 3.44Å; A71-M401 HydrophobicContact CB-CE 4.49Å; A71-M401 HydrophobicContact CB-CG 3.93Å; A71-M401 HydrophobicContact CB-SD 3.92Å
72	S	98.7	Very high	98.6	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.007	3%	0.031	C	C	.	.	S	Bend	trans	-156.2	148.7	179.2	-179.7	0	0	0	0	110.3	A70 L74 P77	A70-S72 PolarHBondContact O-N 3.33Å; S72-L74 PolarHBondContact O-N 2.79Å; S72-L74 VanDerWaalsContact O-N 3.08Å; S72-P77 WeakPolarHBondContact OG-CB 3.14Å; S72-P77 WeakPolarHBondContact OG-CG 3.13Å
73	P	98.4	Very high	98.6	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.006	3%	0.033	C	C	.	.	S	Bend	trans	-82.4	24	-179.5	35.9	-39	0	0	0	113.5	A369 N370 Y445	P73-A369 PolarHBondContact O-N 3.18Å; P73-N370 VanDerWaalsContact CB-O 3.25Å; P73-N370 WeakPolarHBondContact CB-O 3.03Å; P73-Y445 WeakPolarHBondContact CD-O 3.21Å
74	L	98.3	Very high	98.7	Very high	22 Å²	22	6.6 Å²	6.6	12%	0.115	3%	0.033	C	C	.	.	S	Bend	trans	-142	150.1	-177.7	-70.8	178.2	0	0	0	110.7	S72 P77 S78 V101 K368 A369 N447	S72-L74 PolarHBondContact O-N 2.79Å; S72-L74 VanDerWaalsContact O-N 3.08Å; L74-P77 HydrophobicContact CB-CG 3.73Å; L74-P77 WeakPolarHBondContact O-CG 3.45Å; L74-S78 VanDerWaalsContact O-CB 3.22Å; L74-S78 WeakPolarHBondContact O-CB 3.34Å; L74-S78 PolarHBondContact O-N 2.99Å; L74-S78 VanDerWaalsContact O-N 3.08Å; L74-V101 HydrophobicContact CB-CG1 4.07Å; L74-K368 HydrophobicContact CD2-CG 4.41Å; L74-A369 HydrophobicContact CD2-CB 3.93Å; L74-N447 WeakPolarHBondContact CD1-OD1 3.45Å
75	C	97.9	Very high	98.7	Very high	2 Å²	2	4 Å²	4	1%	0.014	2%	0.022	C	C	.	.	H	α-helix	trans	-58.7	-61.2	-170.3	-51.6	0	0	0	0	113.7	S78 R79 V101 K134 H136 D342	C75-S78 PolarHBondContact O-N 3.26Å; C75-R79 WeakPolarHBondContact O-CB 3.48Å; C75-R79 WeakPolarHBondContact O-CD 3.46Å; C75-R79 VanDerWaalsContact O-CG 3.26Å; C75-R79 WeakPolarHBondContact O-CG 3.45Å; C75-R79 PolarHBondContact O-N 3.24Å; C75-V101 HydrophobicContact CB-CG1 4.39Å; C75-K134 PolarHBondContact SG-NZ 3.44Å; C75-K134 VanDerWaalsContact SG-NZ 3.42Å; C75-H136 WeakPolarHBondContact CB-ND1 3.3Å; C75-D342 WeakPolarHBondContact CA-OD2 3.16Å; C75-D342 WeakPolarHBondContact CB-OD2 3.43Å
76	T	98.8	Very high	98.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-56.1	-54.8	-175.6	-61.1	0	0	0	0	113.1	S78 R79 A80 M93 F102 H136 L137 F548	T76-S78 PolarHBondContact O-N 2.92Å; T76-R79 PolarHBondContact O-N 2.89Å; T76-A80 WeakPolarHBondContact O-CB 3.24Å; T76-A80 PolarHBondContact O-N 3.33Å; T76-M93 HydrophobicContact CG2-CE 3.34Å; T76-M93 HydrophobicContact CG2-SD 4.49Å; T76-F102 HydrophobicContact CG2-CD2 3.77Å; T76-F102 HydrophobicContact CG2-CE2 3.75Å; T76-H136 WeakPolarHBondContact CG2-O 3.4Å; T76-H136 PolarHBondContact OG1-CD2 3.11Å; T76-H136 PolarHBondContact OG1-CE1 2.99Å; T76-H136 PolarHBondContact OG1-NE2 2.68Å; T76-H136 PolarHBondContact OG1-O 3.46Å; T76-H136 VanDerWaalsContact OG1-O 3.12Å; T76-L137 HydrophobicContact CG2-CD2 4.12Å; T76-L137 VanDerWaalsContact O-CD2 3.29Å; T76-L137 WeakPolarHBondContact O-CD2 3.34Å; T76-F548 HydrophobicContact CG2-CE2 4.07Å; T76-F548 HydrophobicContact CG2-CZ 3.53Å
77	P	98.8	Very high	98.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62.1	-41.6	178.3	20.7	-32.3	0	0	0	112.6	S72 L74 R79 A80 A81 P88 M93 G100	S72-P77 WeakPolarHBondContact OG-CB 3.14Å; S72-P77 WeakPolarHBondContact OG-CG 3.13Å; L74-P77 HydrophobicContact CB-CG 3.73Å; L74-P77 WeakPolarHBondContact O-CG 3.45Å; P77-R79 PolarHBondContact O-N 3Å; P77-A80 WeakPolarHBondContact O-CB 3.35Å; P77-A80 PolarHBondContact O-N 3.17Å; P77-A81 PolarHBondContact O-N 3.05Å; P77-P88 HydrophobicContact CB-CB 3.62Å; P77-P88 HydrophobicContact CB-CG 3.64Å; P77-P88 WeakPolarHBondContact O-CG 3.5Å; P77-M93 WeakPolarHBondContact CB-O 3.1Å; P77-G100 WeakPolarHBondContact CD-O 3.31Å
78	S	98.8	Very high	98.7	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-65.1	-41.9	-179.8	-170.8	0	0	0	0	112.5	L74 C75 T76 A81 F82 D342	L74-S78 VanDerWaalsContact O-CB 3.22Å; L74-S78 WeakPolarHBondContact O-CB 3.34Å; L74-S78 PolarHBondContact O-N 2.99Å; L74-S78 VanDerWaalsContact O-N 3.08Å; C75-S78 PolarHBondContact O-N 3.26Å; T76-S78 PolarHBondContact O-N 2.92Å; S78-A81 PolarHBondContact O-N 3.43Å; S78-F82 WeakPolarHBondContact O-CB 3.46Å; S78-F82 PolarHBondContact O-N 2.99Å; S78-D342 WeakPolarHBondContact CB-O 3.37Å; S78-D342 PolarHBondContact OG-O 2.72Å
79	R	98.9	Very high	98.7	Very high	5 Å²	5	4.4 Å²	4.4	2%	0.019	2%	0.023	C	C	.	.	H	α-helix	trans	-65.6	-38.1	175.2	-71.7	163.3	178.8	-89.1	-10.2	111.9	M33 D35 C75 T76 P77 A81 F82 M83 K134 L137 S285 D342	M33-R79 HydrophobicContact SD-CG 4.07Å; D35-R79 IonicContact OD1-NH2 2.71Å; C75-R79 WeakPolarHBondContact O-CB 3.48Å; C75-R79 WeakPolarHBondContact O-CD 3.46Å; C75-R79 VanDerWaalsContact O-CG 3.26Å; C75-R79 WeakPolarHBondContact O-CG 3.45Å; C75-R79 PolarHBondContact O-N 3.24Å; T76-R79 PolarHBondContact O-N 2.89Å; P77-R79 PolarHBondContact O-N 3Å; R79-A81 VanDerWaalsContact C-N 3.31Å; R79-A81 PolarHBondContact O-N 3.41Å; R79-F82 PolarHBondContact O-N 3.32Å; R79-M83 WeakPolarHBondContact O-CB 3.42Å; R79-M83 WeakPolarHBondContact O-CG 3.33Å; R79-M83 PolarHBondContact O-N 3.42Å; R79-K134 PolarHBondContact NH1-O 3.34Å; R79-K134 VanDerWaalsContact NH1-O 3.09Å; R79-L137 HydrophobicContact CB-CD2 3.91Å; R79-L137 HydrophobicContact CB-CG 4.43Å; R79-S285 PolarHBondContact NH1-OG 2.65Å; R79-S285 PolarHBondContact NH2-OG 2.98Å; R79-D342 HydrophobicContact CG-CB 4.1Å; R79-D342 IonicContact CZ-OD2 3.92Å; R79-D342 IonicContact NE-OD2 2.71Å; R79-D342 PolarHBondContact NE-OD2 3.11Å; R79-D342 IonicContact NH2-OD2 2.77Å; R79-D342 PolarHBondContact NH2-OD2 2.68Å
80	A	98.9	Very high	98.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.4	-44.8	173.8	0	0	0	0	0	110.7	T76 P77 M83 T84 M93 L111 L137	T76-A80 WeakPolarHBondContact O-CB 3.24Å; T76-A80 PolarHBondContact O-N 3.33Å; P77-A80 WeakPolarHBondContact O-CB 3.35Å; P77-A80 PolarHBondContact O-N 3.17Å; A80-M83 PolarHBondContact O-N 3.06Å; A80-T84 WeakPolarHBondContact O-CB 2.97Å; A80-T84 WeakPolarHBondContact O-CG2 3.36Å; A80-T84 PolarHBondContact O-N 3.4Å; A80-T84 VanDerWaalsContact O-N 3.16Å; A80-T84 PolarHBondContact O-OG1 2.96Å; A80-M93 HydrophobicContact CB-CB 3.84Å; A80-M93 HydrophobicContact CB-CE 3.92Å; A80-M93 HydrophobicContact CB-CG 4.11Å; A80-L111 HydrophobicContact CB-CD1 4.35Å; A80-L137 HydrophobicContact CB-CD2 3.92Å
81	A	98.9	Very high	98.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-67.9	-41.8	178.8	0	0	0	0	0	113	A71 P77 S78 R79 M83 T84 G85 R86 P88 M401	A71-A81 HydrophobicContact CB-CB 3.44Å; A71-A81 VanDerWaalsContact CB-CB 3.44Å; P77-A81 PolarHBondContact O-N 3.05Å; S78-A81 PolarHBondContact O-N 3.43Å; R79-A81 VanDerWaalsContact C-N 3.31Å; R79-A81 PolarHBondContact O-N 3.41Å; A81-M83 VanDerWaalsContact C-N 3.33Å; A81-M83 PolarHBondContact O-N 3.22Å; A81-T84 PolarHBondContact O-N 3.01Å; A81-G85 WeakPolarHBondContact O-CA 3.46Å; A81-G85 PolarHBondContact O-N 2.99Å; A81-R86 WeakPolarHBondContact CA-O 3.27Å; A81-R86 WeakPolarHBondContact CB-O 3.47Å; A81-P88 HydrophobicContact CB-CG 4.15Å; A81-M401 HydrophobicContact CB-CG 3.9Å; A81-M401 HydrophobicContact CB-SD 4.19Å
82	F	98.9	Very high	98.7	Very high	1 Å²	1	5 Å²	5	0%	0.004	3%	0.027	C	C	.	.	H	α-helix	trans	-57.4	-46.3	173.3	170.8	-101.7	0	0	0	111.6	L31 M33 S78 R79 T84 F118 V283 Y338 I403	L31-F82 HydrophobicContact CB-CZ 4.02Å; L31-F82 HydrophobicContact CD1-CE1 4.48Å; L31-F82 HydrophobicContact CD1-CZ 3.75Å; L31-F82 HydrophobicContact CG-CZ 4.48Å; M33-F82 HydrophobicContact CE-CB 4.06Å; M33-F82 HydrophobicContact CE-CD1 3.65Å; M33-F82 HydrophobicContact CE-CD2 3.54Å; M33-F82 HydrophobicContact CE-CE1 3.88Å; M33-F82 HydrophobicContact CE-CE2 3.77Å; M33-F82 HydrophobicContact CE-CG 3.47Å; M33-F82 VanDerWaalsContact CE-CG 3.47Å; M33-F82 HydrophobicContact CE-CZ 3.95Å; S78-F82 WeakPolarHBondContact O-CB 3.46Å; S78-F82 PolarHBondContact O-N 2.99Å; R79-F82 PolarHBondContact O-N 3.32Å; F82-T84 VanDerWaalsContact C-N 3.32Å; F82-T84 PolarHBondContact O-N 3.09Å; F82-F118 AromaticContact CD1-CE1 3.83Å; F82-F118 HydrophobicContact CD1-CE1 3.83Å; F82-F118 HydrophobicContact CD1-CZ 4.12Å; F82-F118 AromaticContact CE1-CE1 3.61Å; F82-F118 HydrophobicContact CE1-CE1 3.61Å; F82-F118 AromaticContact CE1-CZ 3.49Å; F82-F118 HydrophobicContact CE1-CZ 3.49Å; F82-F118 VanDerWaalsContact CE1-CZ 3.49Å; F82-F118 HydrophobicContact CG-CE1 4.41Å; F82-F118 HydrophobicContact CZ-CE1 4Å; F82-F118 AromaticContact CZ-CZ 3.93Å; F82-F118 HydrophobicContact CZ-CZ 3.93Å; F82-F118 WeakPolarHBondContact O-CD1 3.02Å; F82-F118 VanDerWaalsContact O-CE1 3.27Å; F82-F118 WeakPolarHBondContact O-CE1 3.47Å; F82-V283 HydrophobicContact CE1-CG1 4.49Å; F82-Y338 HydrophobicContact CE2-CD1 4.3Å; F82-Y338 AromaticContact CE2-CE1 3.69Å; F82-Y338 HydrophobicContact CE2-CE1 3.69Å; F82-I403 HydrophobicContact CD2-CG2 3.6Å; F82-I403 HydrophobicContact CE2-CB 4.34Å; F82-I403 HydrophobicContact CE2-CG1 4.48Å; F82-I403 HydrophobicContact CE2-CG2 3.44Å; F82-I403 VanDerWaalsContact CE2-CG2 3.44Å; F82-I403 HydrophobicContact CZ-CG2 4.26Å
83	M	98.9	Very high	98.7	Very high	8 Å²	8	4.9 Å²	4.9	4%	0.039	3%	0.026	C	C	.	.	H	α-helix	trans	-67.1	-31	-178.8	-70	-67.4	171.2	0	0	113.3	R79 A80 A81 T117 F118 W135 L137 F156 V283 F404	R79-M83 WeakPolarHBondContact O-CB 3.42Å; R79-M83 WeakPolarHBondContact O-CG 3.33Å; R79-M83 PolarHBondContact O-N 3.42Å; A80-M83 PolarHBondContact O-N 3.06Å; A81-M83 VanDerWaalsContact C-N 3.33Å; A81-M83 PolarHBondContact O-N 3.22Å; M83-T117 HydrophobicContact CB-CG2 4.05Å; M83-T117 CarbonylContact O-C 3.5Å; M83-T117 WeakPolarHBondContact O-CA 3.32Å; M83-F118 HydrophobicContact CE-CZ 4.29Å; M83-F118 WeakPolarHBondContact O-CD1 3.06Å; M83-F118 PolarHBondContact O-N 3.24Å; M83-F118 HydrophobicContact SD-CE1 3.77Å; M83-F118 HydrophobicContact SD-CE2 4.31Å; M83-F118 HydrophobicContact SD-CZ 3.52Å; M83-F118 VanDerWaalsContact SD-CZ 3.52Å; M83-W135 HydrophobicContact CE-CE3 4.28Å; M83-W135 HydrophobicContact CE-CZ3 3.73Å; M83-W135 HydrophobicContact CG-CH2 4.45Å; M83-W135 HydrophobicContact CG-CZ3 4.12Å; M83-W135 HydrophobicContact SD-CZ3 4Å; M83-L137 HydrophobicContact CB-CD1 4.49Å; M83-L137 HydrophobicContact CG-CD1 3.93Å; M83-F156 HydrophobicContact CE-CE2 4.44Å; M83-F156 HydrophobicContact CE-CZ 4.23Å; M83-F156 HydrophobicContact SD-CE2 4.24Å; M83-F156 HydrophobicContact SD-CZ 4.16Å; M83-V283 HydrophobicContact CE-CG1 4.18Å; M83-F404 VanDerWaalsContact O-CD2 3.27Å; M83-F404 WeakPolarHBondContact O-CD2 3.34Å
84	T	98.9	Very high	98.6	Very high	1 Å²	1	5 Å²	5	1%	0.006	3%	0.027	C	C	.	.	H	α-helix	trans	-112.2	-11.3	-168.8	57.8	0	0	0	0	114.9	A80 A81 F82 R86 L111 E115	A80-T84 WeakPolarHBondContact O-CB 2.97Å; A80-T84 WeakPolarHBondContact O-CG2 3.36Å; A80-T84 PolarHBondContact O-N 3.4Å; A80-T84 VanDerWaalsContact O-N 3.16Å; A80-T84 PolarHBondContact O-OG1 2.96Å; A81-T84 PolarHBondContact O-N 3.01Å; F82-T84 VanDerWaalsContact C-N 3.32Å; F82-T84 PolarHBondContact O-N 3.09Å; T84-R86 PolarHBondContact O-N 3.48Å; T84-R86 PolarHBondContact OG1-N 2.86Å; T84-L111 HydrophobicContact CG2-CD1 3.86Å; T84-L111 HydrophobicContact CG2-CD2 4.48Å; T84-E115 HydrophobicContact CG2-CB 4.04Å; T84-E115 HydrophobicContact CG2-CG 4.48Å
85	G	98.8	Very high	98.5	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	19.4	-172	0	0	0	0	0	113.9	A81 M401 D422 G423	A81-G85 WeakPolarHBondContact O-CA 3.46Å; A81-G85 PolarHBondContact O-N 2.99Å; G85-M401 WeakPolarHBondContact CA-O 3.31Å; G85-D422 PolarHBondContact O-N 3.03Å; G85-G423 PolarHBondContact O-N 3.49Å
86	R	98.9	Very high	98.4	Very high	17 Å²	17	10.6 Å²	10.6	6%	0.064	5%	0.047	C	C	.	.	S	Bend	trans	-128	146	-171.1	-74.5	162.2	57.2	82	-9.1	111.4	A81 T84 R90 E115 I420 I421 D422	A81-R86 WeakPolarHBondContact CA-O 3.27Å; A81-R86 WeakPolarHBondContact CB-O 3.47Å; T84-R86 PolarHBondContact O-N 3.48Å; T84-R86 PolarHBondContact OG1-N 2.86Å; R86-R90 PolarHBondContact NH2-O 3.17Å; R86-E115 IonicContact CZ-OE1 3.7Å; R86-E115 IonicContact NE-OE1 3.62Å; R86-E115 PolarHBondContact NE-OE1 3.18Å; R86-E115 VanDerWaalsContact NE-OE1 3.08Å; R86-E115 IonicContact NE-OE2 3.17Å; R86-E115 PolarHBondContact NE-OE2 3.46Å; R86-E115 IonicContact NH2-OE1 2.94Å; R86-E115 PolarHBondContact NH2-OE1 3.09Å; R86-I420 VanDerWaalsContact CG-O 3.32Å; R86-I420 WeakPolarHBondContact CG-O 3.29Å; R86-I420 PolarHBondContact NH1-O 2.57Å; R86-I421 HydrophobicContact CG-CD1 3.86Å; R86-D422 VanDerWaalsContact CA-OD2 3.29Å; R86-D422 WeakPolarHBondContact CA-OD2 3.46Å
87	Y	98.9	Very high	98.2	Very high	7 Å²	7	11.8 Å²	11.8	3%	0.027	6%	0.055	C	C	.	.			trans	-58	142.7	174	-78.7	-65.4	0	0	0	111.4	V89 R90 M401 D422 F443 Y445 H537	Y87-V89 PolarHBondContact O-N 3.35Å; Y87-V89 VanDerWaalsContact O-N 3.07Å; Y87-R90 WeakPolarHBondContact O-CB 3.48Å; Y87-R90 PolarHBondContact O-N 3.32Å; Y87-M401 HydrophobicContact CD1-CE 4.04Å; Y87-M401 HydrophobicContact CD1-SD 4.06Å; Y87-M401 HydrophobicContact CD2-CE 4.44Å; Y87-M401 HydrophobicContact CE1-CE 3.62Å; Y87-M401 HydrophobicContact CE1-SD 4.25Å; Y87-M401 HydrophobicContact CE2-CE 4.08Å; Y87-M401 HydrophobicContact CG-CE 4.42Å; Y87-M401 HydrophobicContact CG-SD 4.26Å; Y87-D422 HydrophobicContact CD2-CB 3.85Å; Y87-D422 WeakPolarHBondContact CD2-OD1 3.46Å; Y87-D422 WeakPolarHBondContact CD2-OD2 3.48Å; Y87-D422 HydrophobicContact CE2-CB 3.87Å; Y87-D422 PolarHBondContact N-OD2 3.09Å; Y87-F443 HydrophobicContact CE1-CB 4.31Å; Y87-F443 WeakPolarHBondContact CE1-O 3.32Å; Y87-F443 HydrophobicContact CE2-CB 4.29Å; Y87-F443 AromaticContact CE2-CD2 3.83Å; Y87-F443 HydrophobicContact CE2-CD2 3.83Å; Y87-F443 AromaticContact CZ-CD2 4Å; Y87-F443 PolarHBondContact OH-N 3.47Å; Y87-F443 PolarHBondContact OH-O 3.17Å; Y87-Y445 HydrophobicContact CD1-CD2 4.15Å; Y87-Y445 HydrophobicContact CD1-CE2 4.4Å; Y87-Y445 HydrophobicContact CG-CE2 4.41Å; Y87-H537 AromaticContact CD2-CE1 3.66Å; Y87-H537 AromaticContact CE2-CE1 3.88Å
88	P	98.7	Very high	97.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-56.8	-31.1	-175.9	-25.6	33.8	0	0	0	114.3	P77 A81 R90 S91 G92 M93 A94	P77-P88 HydrophobicContact CB-CB 3.62Å; P77-P88 HydrophobicContact CB-CG 3.64Å; P77-P88 WeakPolarHBondContact O-CG 3.5Å; A81-P88 HydrophobicContact CB-CG 4.15Å; P88-R90 VanDerWaalsContact C-N 3.27Å; P88-R90 PolarHBondContact O-N 3.1Å; P88-S91 PolarHBondContact O-N 2.87Å; P88-S91 PolarHBondContact O-OG 2.81Å; P88-G92 PolarHBondContact O-N 2.83Å; P88-M93 PolarHBondContact O-N 2.82Å; P88-A94 HydrophobicContact CB-CB 4.04Å
89	V	98.6	Very high	97.6	Very high	20 Å²	20	19.4 Å²	19.4	12%	0.121	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-65.1	-26.8	177.1	-69.6	0	0	0	0	113.3	Y87 S91 G92 A94 Y445 L541 V544	Y87-V89 PolarHBondContact O-N 3.35Å; Y87-V89 VanDerWaalsContact O-N 3.07Å; V89-S91 VanDerWaalsContact C-N 3.26Å; V89-S91 PolarHBondContact O-N 2.81Å; V89-G92 PolarHBondContact O-N 3.14Å; V89-A94 HydrophobicContact CG1-CB 4.09Å; V89-Y445 HydrophobicContact CB-CE1 4.44Å; V89-Y445 HydrophobicContact CG1-CD1 3.65Å; V89-Y445 HydrophobicContact CG1-CE1 3.72Å; V89-Y445 HydrophobicContact CG1-CG 4.25Å; V89-Y445 HydrophobicContact CG2-CD1 4.43Å; V89-Y445 HydrophobicContact CG2-CD2 4.49Å; V89-Y445 HydrophobicContact CG2-CE1 3.97Å; V89-Y445 HydrophobicContact CG2-CE2 4.02Å; V89-L541 HydrophobicContact CG2-CD1 4.28Å; V89-L541 HydrophobicContact CG2-CD2 3.63Å; V89-V544 WeakPolarHBondContact O-CG2 3.4Å
90	R	98.6	Very high	97.5	Very high	7 Å²	7	19.4 Å²	19.4	3%	0.026	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-71.3	-21.4	-179.6	-59.3	-169.5	-176.7	-74.7	2	113.5	R86 Y87 P88 D422 T540 L541	R86-R90 PolarHBondContact NH2-O 3.17Å; Y87-R90 WeakPolarHBondContact O-CB 3.48Å; Y87-R90 PolarHBondContact O-N 3.32Å; P88-R90 VanDerWaalsContact C-N 3.27Å; P88-R90 PolarHBondContact O-N 3.1Å; R90-D422 VanDerWaalsContact CD-OD2 3.29Å; R90-D422 WeakPolarHBondContact CD-OD2 3.48Å; R90-D422 IonicContact CZ-OD1 3.36Å; R90-D422 VanDerWaalsContact CZ-OD1 3.3Å; R90-D422 IonicContact CZ-OD2 3.86Å; R90-D422 VanDerWaalsContact NE-CG 3.3Å; R90-D422 IonicContact NE-OD1 3.44Å; R90-D422 PolarHBondContact NE-OD1 2.82Å; R90-D422 IonicContact NE-OD2 3.97Å; R90-D422 PolarHBondContact NE-OD2 2.97Å; R90-D422 IonicContact NH2-OD1 3.19Å; R90-D422 PolarHBondContact NH2-OD1 3.11Å; R90-D422 IonicContact NH2-OD2 3.48Å; R90-T540 PolarHBondContact NH1-O 3.46Å; R90-T540 VanDerWaalsContact NH1-O 3.09Å; R90-T540 PolarHBondContact NH1-OG1 2.98Å; R90-T540 PolarHBondContact NH2-OG1 3.42Å; R90-L541 HydrophobicContact CG-CD2 4.12Å
91	S	98.3	Very high	97.4	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-110.7	5.3	177.4	57.7	0	0	0	0	112.6	P88 V89 M93 P112 E115	P88-S91 PolarHBondContact O-N 2.87Å; P88-S91 PolarHBondContact O-OG 2.81Å; V89-S91 VanDerWaalsContact C-N 3.26Å; V89-S91 PolarHBondContact O-N 2.81Å; S91-M93 PolarHBondContact O-N 2.85Å; S91-P112 WeakPolarHBondContact O-CG 3.48Å; S91-E115 WeakPolarHBondContact CB-OE1 3.47Å
92	G	98.3	Very high	97.4	Very high	7 Å²	7	20.9 Å²	20.9	7%	0.072	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	15.1	-176.2	0	0	0	0	0	113.7	P88 V89 A94 Q547	P88-G92 PolarHBondContact O-N 2.83Å; V89-G92 PolarHBondContact O-N 3.14Å; G92-A94 PolarHBondContact O-N 3.02Å; G92-A94 VanDerWaalsContact O-N 3.12Å; G92-Q547 WeakPolarHBondContact O-CB 3.39Å; G92-Q547 PolarHBondContact O-N 3.44Å
93	M	98.6	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.			trans	-85.3	37.6	179.1	-78.3	-70.5	-78.4	0	0	112	T76 P77 A80 P88 S91 F102 G110 L137 Q547 F548	T76-M93 HydrophobicContact CG2-CE 3.34Å; T76-M93 HydrophobicContact CG2-SD 4.49Å; P77-M93 WeakPolarHBondContact CB-O 3.1Å; A80-M93 HydrophobicContact CB-CB 3.84Å; A80-M93 HydrophobicContact CB-CE 3.92Å; A80-M93 HydrophobicContact CB-CG 4.11Å; P88-M93 PolarHBondContact O-N 2.82Å; S91-M93 PolarHBondContact O-N 2.85Å; M93-F102 HydrophobicContact CE-CE2 3.93Å; M93-F102 HydrophobicContact SD-CE2 4.08Å; M93-F102 HydrophobicContact SD-CZ 4.18Å; M93-G110 VanDerWaalsContact SD-C 3.51Å; M93-G110 VanDerWaalsContact SD-O 3.33Å; M93-L137 HydrophobicContact CE-CB 4.24Å; M93-L137 HydrophobicContact CE-CD2 3.58Å; M93-Q547 HydrophobicContact CG-CB 4.48Å; M93-Q547 HydrophobicContact CG-CG 4.32Å; M93-Q547 HydrophobicContact SD-CB 3.78Å; M93-Q547 HydrophobicContact SD-CG 4.07Å; M93-F548 HydrophobicContact SD-CE2 4.24Å
94	A	96.9	Very high	97.3	Very high	3 Å²	3	23 Å²	23	3%	0.025	11%	0.108	C	C	.	.	S	Bend	trans	-144.5	128.1	-179.7	0	0	0	0	0	109.6	P88 V89 G92 A448	P88-A94 HydrophobicContact CB-CB 4.04Å; V89-A94 HydrophobicContact CG1-CB 4.09Å; G92-A94 PolarHBondContact O-N 3.02Å; G92-A94 VanDerWaalsContact O-N 3.12Å; A94-A448 HydrophobicContact CB-CB 4.28Å
95	S	96.4	Very high	97.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	11%	0.11	C	C	.	.			trans	-85.3	148.5	-173.1	-171.8	0	0	0	0	113.8	S97 T99 N447 A448	S95-S97 PolarHBondContact OG-N 3.06Å; S95-S97 PolarHBondContact OG-OG 2.83Å; S95-S97 VanDerWaalsContact OG-OG 3.05Å; S95-T99 WeakPolarHBondContact CB-O 3.33Å; S95-T99 PolarHBondContact OG-O 2.78Å; S95-N447 WeakPolarHBondContact O-CB 3.43Å; S95-A448 PolarHBondContact O-N 3.26Å; S95-A448 VanDerWaalsContact O-N 3.15Å
96	W	95.8	Very high	97.2	Very high	141 Å²	141	23.4 Å²	23.4	53%	0.534	11%	0.11	S	C	.	.	S	Bend	trans	-90.7	-9.2	166	-61.2	91.6	0	0	0	112.3	A448 Y449	W96-A448 HydrophobicContact CD2-CB 3.45Å; W96-A448 VanDerWaalsContact CD2-CB 3.45Å; W96-A448 HydrophobicContact CE3-CB 3.8Å; W96-A448 HydrophobicContact CG-CB 3.96Å; W96-A448 HydrophobicContact CH2-CB 3.88Å; W96-A448 HydrophobicContact CZ2-CB 3.55Å; W96-A448 HydrophobicContact CZ3-CB 4Å; W96-Y449 HydrophobicContact CE3-CD1 4.09Å; W96-Y449 AromaticContact CE3-CE1 3.6Å; W96-Y449 HydrophobicContact CE3-CE1 3.6Å; W96-Y449 HydrophobicContact CE3-CE2 4.2Å; W96-Y449 AromaticContact CE3-CZ 3.66Å; W96-Y449 AromaticContact CZ3-CD1 3.94Å; W96-Y449 HydrophobicContact CZ3-CD1 3.94Å; W96-Y449 AromaticContact CZ3-CE1 3.84Å; W96-Y449 HydrophobicContact CZ3-CE1 3.84Å; W96-Y449 PolarHBondContact O-OH 3.36Å
97	S	94.6	Very high	97.2	Very high	25 Å²	25	22.7 Å²	22.7	18%	0.175	11%	0.108	C	C	.	.	S	Bend	trans	-101.3	-173.1	-175.3	85.4	0	0	0	0	112.1	S95 T99	S95-S97 PolarHBondContact OG-N 3.06Å; S95-S97 PolarHBondContact OG-OG 2.83Å; S95-S97 VanDerWaalsContact OG-OG 3.05Å; S97-T99 PolarHBondContact O-N 2.57Å; S97-T99 PolarHBondContact OG-N 3.25Å; S97-T99 PolarHBondContact OG-OG1 3.31Å
98	R	93	Very high	97.2	Very high	128 Å²	128	22.7 Å²	22.7	48%	0.483	11%	0.109	S	C	.	.	S	Bend	trans	-70.2	-17.9	175.2	-68.4	-176.2	-67.9	-179.1	-0.2	113	F488 F490	R98-F488 HydrophobicContact CB-CD1 4.07Å; R98-F488 HydrophobicContact CB-CE1 3.65Å; R98-F488 HydrophobicContact CB-CZ 3.93Å; R98-F488 HydrophobicContact CG-CD1 4.05Å; R98-F488 HydrophobicContact CG-CD2 4.21Å; R98-F488 HydrophobicContact CG-CE1 3.92Å; R98-F488 HydrophobicContact CG-CE2 4.06Å; R98-F488 HydrophobicContact CG-CG 4.21Å; R98-F488 HydrophobicContact CG-CZ 3.93Å; R98-F490 HydrophobicContact CG-CE1 3.92Å; R98-F490 HydrophobicContact CG-CZ 3.73Å
99	T	92.7	Very high	97.2	Very high	31 Å²	31	22.6 Å²	22.6	19%	0.19	11%	0.109	C	C	.	.			trans	-94.7	98.2	-178.8	50.5	0	0	0	0	109.8	S95 S97 F553	S95-T99 WeakPolarHBondContact CB-O 3.33Å; S95-T99 PolarHBondContact OG-O 2.78Å; S97-T99 PolarHBondContact O-N 2.57Å; S97-T99 PolarHBondContact OG-N 3.25Å; S97-T99 PolarHBondContact OG-OG1 3.31Å; T99-F553 HydrophobicContact CG2-CE1 3.89Å; T99-F553 HydrophobicContact CG2-CE2 4.08Å; T99-F553 HydrophobicContact CG2-CZ 3.53Å
100	G	95.3	Very high	97.2	Very high	6 Å²	6	21.7 Å²	21.7	6%	0.062	10%	0.103	C	C	.	.			trans	-93.5	0.5	179.8	0	0	0	0	0	115.3	P77 N447	P77-G100 WeakPolarHBondContact CD-O 3.31Å; G100-N447 WeakPolarHBondContact CA-OD1 3.48Å
101	V	97.9	Very high	97.2	Very high	28 Å²	28	21.3 Å²	21.3	17%	0.17	10%	0.102	C	C	.	.	S	Bend	trans	-141.8	154.8	178.4	-60.6	0	0	0	0	110	L74 C75 L103 F553	L74-V101 HydrophobicContact CB-CG1 4.07Å; C75-V101 HydrophobicContact CB-CG1 4.39Å; V101-L103 HydrophobicContact CG2-CD2 4.08Å; V101-F553 WeakPolarHBondContact O-CE2 3.42Å
102	F	98.3	Very high	97.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	10%	0.104	C	C	.	.			trans	-70.1	137.6	175.7	-64.8	-59.9	0	0	0	110.2	T76 M93 G109 H136 L164 Q547 F548 F553	T76-F102 HydrophobicContact CG2-CD2 3.77Å; T76-F102 HydrophobicContact CG2-CE2 3.75Å; M93-F102 HydrophobicContact CE-CE2 3.93Å; M93-F102 HydrophobicContact SD-CE2 4.08Å; M93-F102 HydrophobicContact SD-CZ 4.18Å; F102-G109 WeakPolarHBondContact CZ-O 3.49Å; F102-H136 PolarHBondContact O-NE2 2.7Å; F102-L164 HydrophobicContact CB-CD1 3.86Å; F102-L164 WeakPolarHBondContact O-CD1 3.45Å; F102-Q547 WeakPolarHBondContact CE1-O 3.27Å; F102-F548 HydrophobicContact CD1-CE1 4.1Å; F102-F548 HydrophobicContact CD2-CZ 4.43Å; F102-F548 HydrophobicContact CE1-CD1 4.2Å; F102-F548 HydrophobicContact CE1-CE1 4.02Å; F102-F548 HydrophobicContact CE1-CZ 4.22Å; F102-F548 HydrophobicContact CE2-CE2 4.45Å; F102-F548 HydrophobicContact CE2-CZ 4.14Å; F102-F548 HydrophobicContact CG-CE1 4.43Å; F102-F548 HydrophobicContact CZ-CD2 4.5Å; F102-F548 HydrophobicContact CZ-CE1 4.28Å; F102-F548 HydrophobicContact CZ-CE2 4.1Å; F102-F548 HydrophobicContact CZ-CZ 4.01Å; F102-F553 HydrophobicContact CD1-CD2 4.46Å
103	L	97.3	Very high	97.2	Very high	27 Å²	27	26 Å²	26	14%	0.141	13%	0.129	C	C	.	.			trans	-118	-4.1	178.7	-64.2	-179.9	0	0	0	113	V101 L164 L167 F178 F237 F553	V101-L103 HydrophobicContact CG2-CD2 4.08Å; L103-L164 WeakPolarHBondContact O-CD2 3.31Å; L103-L167 HydrophobicContact CD2-CD1 4.45Å; L103-F178 HydrophobicContact CB-CE1 4.16Å; L103-F178 HydrophobicContact CB-CZ 4.09Å; L103-F178 HydrophobicContact CD1-CD1 4.49Å; L103-F178 HydrophobicContact CD1-CE1 3.64Å; L103-F178 HydrophobicContact CD1-CZ 4.15Å; L103-F178 HydrophobicContact CG-CE1 4.44Å; L103-F237 WeakPolarHBondContact O-CE2 3.23Å; L103-F553 HydrophobicContact CB-CE2 4.27Å; L103-F553 HydrophobicContact CB-CZ 4.12Å; L103-F553 HydrophobicContact CD1-CZ 4.08Å; L103-F553 HydrophobicContact CG-CE2 4.28Å; L103-F553 HydrophobicContact CG-CZ 4.19Å
104	F	98.4	Very high	97.2	Very high	27 Å²	27	31.1 Å²	31.1	12%	0.118	16%	0.156	C	C	.	.			trans	-130.6	130.4	-179.1	-59.2	-77.6	0	0	0	110.4	A106 S107 F233 F237 N241 F553 W555	F104-A106 VanDerWaalsContact C-N 3.3Å; F104-S107 PolarHBondContact O-OG 3.36Å; F104-F233 AromaticContact CE1-CE2 3.96Å; F104-F233 HydrophobicContact CE1-CE2 3.96Å; F104-F233 HydrophobicContact CZ-CE2 4.11Å; F104-F237 HydrophobicContact CD1-CE2 4.22Å; F104-F237 HydrophobicContact CE1-CD2 4.11Å; F104-F237 AromaticContact CE1-CE2 3.97Å; F104-F237 HydrophobicContact CE1-CE2 3.97Å; F104-N241 VanDerWaalsContact CA-OD1 3.24Å; F104-N241 WeakPolarHBondContact CA-OD1 3.38Å; F104-F553 HydrophobicContact CD2-CZ 4.44Å; F104-F553 HydrophobicContact CE2-CE1 4.19Å; F104-F553 HydrophobicContact CE2-CZ 4.29Å; F104-W555 HydrophobicContact CD1-CB 4.03Å; F104-W555 HydrophobicContact CD1-CG 4.48Å; F104-W555 HydrophobicContact CE1-CB 4.34Å; F104-W555 HydrophobicContact CG-CB 4.19Å
105	T	97.9	Very high	97.2	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.055	16%	0.158	C	C	.	.	S	Bend	trans	-67.3	-35.3	173.4	54.2	0	0	0	0	111.4	S107 L164 L240 N241 F243	T105-S107 PolarHBondContact O-N 3.29Å; T105-L164 HydrophobicContact CG2-CB 3.82Å; T105-L164 HydrophobicContact CG2-CD2 4.42Å; T105-L240 PolarHBondContact OG1-O 3.14Å; T105-N241 HydrophobicContact CG2-CB 4.35Å; T105-N241 WeakPolarHBondContact CG2-O 3.47Å; T105-N241 PolarHBondContact N-OD1 3.5Å; T105-N241 PolarHBondContact OG1-OD1 3.38Å; T105-F243 HydrophobicContact CG2-CE1 3.68Å; T105-F243 HydrophobicContact CG2-CZ 3.86Å
106	A	98	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-89.7	51.4	177.1	0	0	0	0	0	111.5	F104 K556 L559 Q560	F104-A106 VanDerWaalsContact C-N 3.3Å; A106-K556 PolarHBondContact O-N 2.92Å; A106-L559 HydrophobicContact CB-CB 4.06Å; A106-Q560 HydrophobicContact CB-CB 4.14Å
107	S	98.3	Very high	97.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	14%	0.144	C	C	.	.			trans	-117.7	154	170.6	63.5	0	0	0	0	108.3	F104 T105 N552 F553	F104-S107 PolarHBondContact O-OG 3.36Å; T105-S107 PolarHBondContact O-N 3.29Å; S107-N552 VanDerWaalsContact CB-O 3.3Å; S107-N552 WeakPolarHBondContact CB-O 3.38Å; S107-F553 WeakPolarHBondContact CB-O 3.21Å
108	S	98.6	Very high	97.7	Very high	7 Å²	7	26 Å²	26	5%	0.049	14%	0.136	C	C	.	.	S	Bend	trans	-92.4	-8.8	-174.8	61.6	0	0	0	0	114.5	S140 C141 H149 N552 K556	S108-S140 WeakPolarHBondContact CA-O 3.47Å; S108-C141 VanDerWaalsContact CB-O 3.24Å; S108-C141 WeakPolarHBondContact CB-O 3.48Å; S108-H149 PolarHBondContact O-NE2 3.44Å; S108-H149 VanDerWaalsContact O-NE2 3.11Å; S108-N552 PolarHBondContact N-O 2.98Å; S108-N552 VanDerWaalsContact N-O 3.08Å; S108-N552 WeakPolarHBondContact OG-CA 3.45Å; S108-N552 PolarHBondContact OG-OD1 2.9Å; S108-K556 PolarHBondContact OG-NZ 3.08Å
109	G	98.6	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.			trans	-75	145.6	174.5	0	0	0	0	0	112.1	F102 G138 Q547 N552	F102-G109 WeakPolarHBondContact CZ-O 3.49Å; G109-G138 WeakPolarHBondContact O-CA 3.38Å; G109-Q547 WeakPolarHBondContact CA-O 3.21Å; G109-N552 PolarHBondContact N-O 3.29Å
110	G	98.7	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.			trans	-177.1	-175.3	175.5	0	0	0	0	0	112.4	M93 P112 L137 H149 Q547	M93-G110 VanDerWaalsContact SD-C 3.51Å; M93-G110 VanDerWaalsContact SD-O 3.33Å; G110-P112 VanDerWaalsContact O-CD 3.3Å; G110-P112 WeakPolarHBondContact O-CD 3.39Å; G110-P112 VanDerWaalsContact O-N 3.15Å; G110-L137 CarbonylContact C-O 3.51Å; G110-L137 WeakPolarHBondContact CA-O 3.31Å; G110-H149 PolarHBondContact N-NE2 3.36Å; G110-Q547 WeakPolarHBondContact O-CG 3.44Å; G110-Q547 PolarHBondContact O-OE1 2.87Å
111	L	98.8	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-58.4	118.7	174.6	-178.2	67.2	0	0	0	108.7	A80 T84 T113 E115 T117 W135 L137 H149 H154	A80-L111 HydrophobicContact CB-CD1 4.35Å; T84-L111 HydrophobicContact CG2-CD1 3.86Å; T84-L111 HydrophobicContact CG2-CD2 4.48Å; L111-T113 PolarHBondContact O-N 2.84Å; L111-E115 HydrophobicContact CD1-CB 4.1Å; L111-E115 HydrophobicContact CD1-CG 4.43Å; L111-E115 HydrophobicContact CG-CB 4.3Å; L111-T117 HydrophobicContact CD2-CG2 3.69Å; L111-W135 HydrophobicContact CD2-CH2 4.33Å; L111-W135 HydrophobicContact CD2-CZ2 4.4Å; L111-L137 HydrophobicContact CB-CB 3.97Å; L111-L137 HydrophobicContact CB-CD1 4.41Å; L111-L137 HydrophobicContact CD2-CD1 4.23Å; L111-L137 PolarHBondContact N-O 3.17Å; L111-H149 PolarHBondContact O-CE1 3.29Å; L111-H149 PolarHBondContact O-ND1 2.83Å; L111-H154 PolarHBondContact O-CE1 2.91Å; L111-H154 PolarHBondContact O-NE2 3.04Å
112	P	98.8	Very high	98.5	Very high	12 Å²	12	21.4 Å²	21.4	8%	0.078	11%	0.114	C	C	.	.			trans	-54.7	141.6	-174.4	-28.8	35.6	0	0	0	112.8	S91 G110 N114 E115 H154 Q547	S91-P112 WeakPolarHBondContact O-CG 3.48Å; G110-P112 VanDerWaalsContact O-CD 3.3Å; G110-P112 WeakPolarHBondContact O-CD 3.39Å; G110-P112 VanDerWaalsContact O-N 3.15Å; P112-N114 WeakPolarHBondContact CB-OD1 3.08Å; P112-N114 PolarHBondContact O-N 3.18Å; P112-N114 VanDerWaalsContact O-N 3.11Å; P112-E115 HydrophobicContact CB-CG 4.2Å; P112-E115 HydrophobicContact CG-CG 4.35Å; P112-E115 WeakPolarHBondContact O-CB 3.24Å; P112-E115 PolarHBondContact O-N 3.26Å; P112-H154 PolarHBondContact O-CE1 2.97Å; P112-Q547 HydrophobicContact CG-CG 3.98Å
113	T	98.3	Very high	98.5	Very high	98 Å²	98	25.1 Å²	25.1	60%	0.601	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.1	-177.4	52.6	0	0	0	0	113.8	L111 C148	L111-T113 PolarHBondContact O-N 2.84Å; T113-C148 HydrophobicContact CG2-CB 3.91Å; T113-C148 WeakPolarHBondContact CG2-O 3.44Å
114	N	97.9	Very high	98.6	Very high	107 Å²	107	28.3 Å²	28.3	57%	0.572	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.9	174.8	68.6	-30.7	0	0	0	113.5	P112 R419	P112-N114 WeakPolarHBondContact CB-OD1 3.08Å; P112-N114 PolarHBondContact O-N 3.18Å; P112-N114 VanDerWaalsContact O-N 3.11Å; N114-R419 PolarHBondContact O-NH1 3.06Å; N114-R419 PolarHBondContact O-NH2 3.04Å
115	E	98.7	Very high	98.5	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-81.1	137.4	174.2	-74.4	-65.7	177	0	0	111.6	T84 R86 S91 L111 P112 R419	T84-E115 HydrophobicContact CG2-CB 4.04Å; T84-E115 HydrophobicContact CG2-CG 4.48Å; R86-E115 IonicContact CZ-OE1 3.7Å; R86-E115 IonicContact NE-OE1 3.62Å; R86-E115 PolarHBondContact NE-OE1 3.18Å; R86-E115 VanDerWaalsContact NE-OE1 3.08Å; R86-E115 IonicContact NE-OE2 3.17Å; R86-E115 PolarHBondContact NE-OE2 3.46Å; R86-E115 IonicContact NH2-OE1 2.94Å; R86-E115 PolarHBondContact NH2-OE1 3.09Å; S91-E115 WeakPolarHBondContact CB-OE1 3.47Å; L111-E115 HydrophobicContact CD1-CB 4.1Å; L111-E115 HydrophobicContact CD1-CG 4.43Å; L111-E115 HydrophobicContact CG-CB 4.3Å; P112-E115 HydrophobicContact CB-CG 4.2Å; P112-E115 HydrophobicContact CG-CG 4.35Å; P112-E115 WeakPolarHBondContact O-CB 3.24Å; P112-E115 PolarHBondContact O-N 3.26Å; E115-R419 IonicContact OE2-NH1 3.25Å; E115-R419 PolarHBondContact OE2-NH1 3.4Å
116	I	98.8	Very high	98.6	Very high	48 Å²	48	31.9 Å²	31.9	25%	0.246	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-101.1	125.1	-178.4	-59.6	171.1	0	0	0	107.7	K120 L121 F404 P416	I116-K120 HydrophobicContact CG2-CB 4.33Å; I116-K120 HydrophobicContact CG2-CG 4.39Å; I116-L121 HydrophobicContact CG2-CD2 3.74Å; I116-L121 HydrophobicContact CG2-CG 3.86Å; I116-F404 WeakPolarHBondContact O-CE2 3.38Å; I116-P416 HydrophobicContact CD1-CB 4.2Å
117	T	98.9	Very high	98.6	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-91.7	158.1	174.6	66	0	0	0	0	111.4	M83 L111 A119 K120 L121 H154	M83-T117 HydrophobicContact CB-CG2 4.05Å; M83-T117 CarbonylContact O-C 3.5Å; M83-T117 WeakPolarHBondContact O-CA 3.32Å; L111-T117 HydrophobicContact CD2-CG2 3.69Å; T117-A119 PolarHBondContact O-N 3.07Å; T117-A119 PolarHBondContact OG1-N 3.33Å; T117-K120 WeakPolarHBondContact O-CB 3.47Å; T117-K120 PolarHBondContact O-N 2.88Å; T117-K120 PolarHBondContact OG1-N 3.19Å; T117-L121 PolarHBondContact O-N 3.19Å; T117-L121 VanDerWaalsContact O-N 3.13Å; T117-H154 HydrophobicContact CG2-CB 3.89Å; T117-H154 PolarHBondContact OG1-O 2.93Å
118	F	98.8	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-30.9	170.1	58.9	-109.1	0	0	0	111.2	L31 F82 M83 K120 L121 L122 L281 V283 F404 V407	L31-F118 HydrophobicContact CD1-CD2 4.25Å; L31-F118 HydrophobicContact CD1-CE1 4.18Å; L31-F118 HydrophobicContact CD1-CE2 3.58Å; L31-F118 HydrophobicContact CD1-CZ 3.54Å; F82-F118 AromaticContact CD1-CE1 3.83Å; F82-F118 HydrophobicContact CD1-CE1 3.83Å; F82-F118 HydrophobicContact CD1-CZ 4.12Å; F82-F118 AromaticContact CE1-CE1 3.61Å; F82-F118 HydrophobicContact CE1-CE1 3.61Å; F82-F118 AromaticContact CE1-CZ 3.49Å; F82-F118 HydrophobicContact CE1-CZ 3.49Å; F82-F118 VanDerWaalsContact CE1-CZ 3.49Å; F82-F118 HydrophobicContact CG-CE1 4.41Å; F82-F118 HydrophobicContact CZ-CE1 4Å; F82-F118 AromaticContact CZ-CZ 3.93Å; F82-F118 HydrophobicContact CZ-CZ 3.93Å; F82-F118 WeakPolarHBondContact O-CD1 3.02Å; F82-F118 VanDerWaalsContact O-CE1 3.27Å; F82-F118 WeakPolarHBondContact O-CE1 3.47Å; M83-F118 HydrophobicContact CE-CZ 4.29Å; M83-F118 WeakPolarHBondContact O-CD1 3.06Å; M83-F118 PolarHBondContact O-N 3.24Å; M83-F118 HydrophobicContact SD-CE1 3.77Å; M83-F118 HydrophobicContact SD-CE2 4.31Å; M83-F118 HydrophobicContact SD-CZ 3.52Å; M83-F118 VanDerWaalsContact SD-CZ 3.52Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.27Å; F118-L121 PolarHBondContact O-N 2.99Å; F118-L122 WeakPolarHBondContact O-CB 3.46Å; F118-L122 WeakPolarHBondContact O-CD1 3.41Å; F118-L122 PolarHBondContact O-N 3.08Å; F118-L281 HydrophobicContact CD2-CD1 4.44Å; F118-L281 HydrophobicContact CD2-CD2 3.81Å; F118-L281 HydrophobicContact CE2-CD1 4.23Å; F118-L281 HydrophobicContact CE2-CD2 3.88Å; F118-V283 HydrophobicContact CE2-CG2 3.76Å; F118-V283 HydrophobicContact CZ-CG2 3.97Å; F118-F404 HydrophobicContact CB-CD2 3.67Å; F118-F404 HydrophobicContact CB-CE2 4.2Å; F118-F404 HydrophobicContact CB-CG 4.35Å; F118-F404 HydrophobicContact CD1-CB 4.47Å; F118-F404 HydrophobicContact CD1-CD2 4.18Å; F118-F404 HydrophobicContact CG-CD2 4.43Å; F118-F404 VanDerWaalsContact N-CE2 3.3Å; F118-V407 HydrophobicContact CB-CG2 3.63Å; F118-V407 HydrophobicContact CD2-CG2 4.34Å; F118-V407 HydrophobicContact CG-CG2 4.05Å
119	A	98.9	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-38.5	176.3	0	0	0	0	0	111.6	T117 K123 F156 L281	T117-A119 PolarHBondContact O-N 3.07Å; T117-A119 PolarHBondContact OG1-N 3.33Å; A119-K123 WeakPolarHBondContact O-CB 3.47Å; A119-K123 PolarHBondContact O-N 3.47Å; A119-F156 HydrophobicContact CB-CD1 4Å; A119-F156 HydrophobicContact CB-CD2 4.09Å; A119-F156 HydrophobicContact CB-CE1 3.68Å; A119-F156 HydrophobicContact CB-CE2 3.77Å; A119-F156 HydrophobicContact CB-CG 4.21Å; A119-F156 HydrophobicContact CB-CZ 3.57Å; A119-L281 HydrophobicContact CB-CD2 3.81Å
120	K	98.8	Very high	98.7	Very high	80 Å²	80	32.8 Å²	32.8	35%	0.348	18%	0.182	S	C	.	.	H	α-helix	trans	-65.7	-45.9	174.8	-178.6	58.3	172.1	120.7	0	111	I116 T117 F118 L122 K123 D124	I116-K120 HydrophobicContact CG2-CB 4.33Å; I116-K120 HydrophobicContact CG2-CG 4.39Å; T117-K120 WeakPolarHBondContact O-CB 3.47Å; T117-K120 PolarHBondContact O-N 2.88Å; T117-K120 PolarHBondContact OG1-N 3.19Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.27Å; K120-L122 PolarHBondContact O-N 3.32Å; K120-K123 PolarHBondContact O-N 3.46Å; K120-D124 IonicContact NZ-OD1 2.65Å; K120-D124 PolarHBondContact NZ-OD1 3.41Å; K120-D124 IonicContact NZ-OD2 2.82Å; K120-D124 PolarHBondContact NZ-OD2 2.94Å; K120-D124 PolarHBondContact O-N 2.9Å
121	L	98.7	Very high	98.7	Very high	18 Å²	18	32.8 Å²	32.8	9%	0.094	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-46.7	176.1	-67	-176.7	0	0	0	112	I116 T117 F118 D124 Q125 F404 A408 A413	I116-L121 HydrophobicContact CG2-CD2 3.74Å; I116-L121 HydrophobicContact CG2-CG 3.86Å; T117-L121 PolarHBondContact O-N 3.19Å; T117-L121 VanDerWaalsContact O-N 3.13Å; F118-L121 PolarHBondContact O-N 2.99Å; L121-D124 PolarHBondContact O-N 2.9Å; L121-Q125 PolarHBondContact O-N 3.34Å; L121-F404 HydrophobicContact CD1-CE1 3.98Å; L121-F404 HydrophobicContact CD1-CE2 4.05Å; L121-F404 HydrophobicContact CD1-CZ 3.51Å; L121-F404 HydrophobicContact CG-CZ 4.47Å; L121-A408 HydrophobicContact CD1-CB 3.93Å; L121-A413 HydrophobicContact CB-CB 3.92Å
122	L	98.7	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.8	-41.8	-179.3	-89.5	70.8	0	0	0	112.1	I29 F118 K120 D124 Q125 G126 Y127 T129 L281 V407 A411	I29-L122 HydrophobicContact CD1-CD2 3.55Å; F118-L122 WeakPolarHBondContact O-CB 3.46Å; F118-L122 WeakPolarHBondContact O-CD1 3.41Å; F118-L122 PolarHBondContact O-N 3.08Å; K120-L122 PolarHBondContact O-N 3.32Å; L122-D124 PolarHBondContact O-N 2.72Å; L122-Q125 CarbonylContact O-C 3.56Å; L122-Q125 WeakPolarHBondContact O-CA 3.5Å; L122-Q125 PolarHBondContact O-N 2.01Å; L122-G126 PolarHBondContact O-N 3.38Å; L122-Y127 HydrophobicContact CB-CD2 4.27Å; L122-Y127 HydrophobicContact CB-CG 4.05Å; L122-Y127 HydrophobicContact CD2-CD1 4.05Å; L122-Y127 HydrophobicContact CD2-CE1 4.22Å; L122-Y127 HydrophobicContact CD2-CG 4.31Å; L122-Y127 HydrophobicContact CG-CD2 4.35Å; L122-Y127 HydrophobicContact CG-CG 4.3Å; L122-Y127 WeakPolarHBondContact O-CB 3.2Å; L122-Y127 WeakPolarHBondContact O-CD2 3.36Å; L122-Y127 PolarHBondContact O-N 2.73Å; L122-T129 HydrophobicContact CB-CG2 4.49Å; L122-L281 HydrophobicContact CB-CD2 4.34Å; L122-L281 HydrophobicContact CD2-CB 3.98Å; L122-L281 HydrophobicContact CD2-CD1 4.13Å; L122-L281 HydrophobicContact CD2-CD2 4.05Å; L122-L281 HydrophobicContact CD2-CG 4.26Å; L122-V407 HydrophobicContact CD1-CB 4.31Å; L122-V407 HydrophobicContact CD1-CG2 3.88Å; L122-V407 HydrophobicContact CD2-CB 4.48Å; L122-A411 HydrophobicContact CD1-CB 3.92Å; L122-A411 HydrophobicContact CD2-CB 4.38Å; L122-A411 HydrophobicContact CG-CB 3.66Å
123	K	98.7	Very high	98.7	Very high	80 Å²	80	32.2 Å²	32.2	35%	0.348	18%	0.178	S	C	.	.	H	α-helix	trans	-56.1	-41.4	174	179.3	-176	176.8	173.2	0	111.1	A119 K120 Q125 G126 T129 G155 N157	A119-K123 WeakPolarHBondContact O-CB 3.47Å; A119-K123 PolarHBondContact O-N 3.47Å; K120-K123 PolarHBondContact O-N 3.46Å; K123-Q125 PolarHBondContact O-N 3.12Å; K123-G126 WeakPolarHBondContact O-CA 3.27Å; K123-G126 PolarHBondContact O-N 2.73Å; K123-T129 HydrophobicContact CB-CG2 3.98Å; K123-G155 WeakPolarHBondContact CD-O 3.39Å; K123-N157 WeakPolarHBondContact CD-ND2 3.21Å; K123-N157 WeakPolarHBondContact CE-ND2 3.27Å; K123-N157 PolarHBondContact NZ-ND2 3.36Å
124	D	98.5	Very high	98.7	Very high	93 Å²	93	27.6 Å²	27.6	50%	0.497	15%	0.15	S	C	.	.	H	α-helix	trans	-69.6	-21.4	179.9	-67.2	-12.9	0	0	0	112.6	K120 L121 L122 G126	K120-D124 IonicContact NZ-OD1 2.65Å; K120-D124 PolarHBondContact NZ-OD1 3.41Å; K120-D124 IonicContact NZ-OD2 2.82Å; K120-D124 PolarHBondContact NZ-OD2 2.94Å; K120-D124 PolarHBondContact O-N 2.9Å; L121-D124 PolarHBondContact O-N 2.9Å; L122-D124 PolarHBondContact O-N 2.72Å; D124-G126 VanDerWaalsContact C-N 3.28Å
125	Q	98.3	Very high	98.7	Very high	65 Å²	65	22.6 Å²	22.6	30%	0.304	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.9	168.2	-60.2	-52.6	-49.1	0	0	113.4	R26 L121 L122 K123 Y127 A413	R26-Q125 VanDerWaalsContact CZ-O 3.24Å; R26-Q125 PolarHBondContact NH1-O 3.32Å; R26-Q125 PolarHBondContact NH2-O 2.88Å; L121-Q125 PolarHBondContact O-N 3.34Å; L122-Q125 CarbonylContact O-C 3.56Å; L122-Q125 WeakPolarHBondContact O-CA 3.5Å; L122-Q125 PolarHBondContact O-N 2.01Å; K123-Q125 PolarHBondContact O-N 3.12Å; Q125-Y127 HydrophobicContact CB-CD2 4.25Å; Q125-A413 HydrophobicContact CG-CB 3.62Å
126	G	98	Very high	98.7	Very high	46 Å²	46	22.1 Å²	22.1	47%	0.474	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	21.8	179.2	0	0	0	0	0	114.4	L122 K123 D124	L122-G126 PolarHBondContact O-N 3.38Å; K123-G126 WeakPolarHBondContact O-CA 3.27Å; K123-G126 PolarHBondContact O-N 2.73Å; D124-G126 VanDerWaalsContact C-N 3.28Å
127	Y	98.8	Very high	98.8	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.016	11%	0.109	C	C	.	.			trans	-73.7	140.8	167.4	-80.1	-114.2	0	0	0	110.9	R26 P27 I29 L122 Q125 P279 A411	R26-Y127 VanDerWaalsContact C-OH 3.24Å; R26-Y127 WeakPolarHBondContact CA-OH 3.17Å; P27-Y127 WeakPolarHBondContact O-CE1 3.43Å; P27-Y127 PolarHBondContact O-OH 3.48Å; I29-Y127 HydrophobicContact CD1-CE1 4.03Å; L122-Y127 HydrophobicContact CB-CD2 4.27Å; L122-Y127 HydrophobicContact CB-CG 4.05Å; L122-Y127 HydrophobicContact CD2-CD1 4.05Å; L122-Y127 HydrophobicContact CD2-CE1 4.22Å; L122-Y127 HydrophobicContact CD2-CG 4.31Å; L122-Y127 HydrophobicContact CG-CD2 4.35Å; L122-Y127 HydrophobicContact CG-CG 4.3Å; L122-Y127 WeakPolarHBondContact O-CB 3.2Å; L122-Y127 WeakPolarHBondContact O-CD2 3.36Å; L122-Y127 PolarHBondContact O-N 2.73Å; Q125-Y127 HydrophobicContact CB-CD2 4.25Å; Y127-P279 VanDerWaalsContact CA-O 3.28Å; Y127-P279 WeakPolarHBondContact CA-O 3.29Å; Y127-P279 HydrophobicContact CD1-CB 3.99Å; Y127-P279 HydrophobicContact CE1-CB 3.74Å; Y127-P279 HydrophobicContact CE2-CB 4.28Å; Y127-P279 HydrophobicContact CG-CB 4.37Å; Y127-A411 HydrophobicContact CD2-CB 4.22Å; Y127-A411 HydrophobicContact CE2-CB 3.53Å
128	S	98.9	Very high	98.7	Very high	25 Å²	25	20.1 Å²	20.1	18%	0.175	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126	160.3	-72.7	0	0	0	0	109	F271 N275 P279 F280 L281	S128-F271 WeakPolarHBondContact O-CZ 3.29Å; S128-N275 WeakPolarHBondContact CB-OD1 3.35Å; S128-N275 PolarHBondContact OG-OD1 3.26Å; S128-P279 PolarHBondContact N-O 3.42Å; S128-P279 VanDerWaalsContact N-O 3.08Å; S128-F280 CarbonylContact O-C 3.57Å; S128-F280 VanDerWaalsContact O-CA 3.27Å; S128-F280 WeakPolarHBondContact O-CA 3.23Å; S128-L281 PolarHBondContact O-N 3.36Å
129	T	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.4	-174.7	59.5	0	0	0	0	112.3	L122 K123 G155 F156 N157 Y158 L281	L122-T129 HydrophobicContact CB-CG2 4.49Å; K123-T129 HydrophobicContact CB-CG2 3.98Å; T129-G155 PolarHBondContact OG1-O 2.81Å; T129-F156 VanDerWaalsContact OG1-CA 3.26Å; T129-F156 WeakPolarHBondContact OG1-CA 3.27Å; T129-N157 PolarHBondContact N-OD1 2.86Å; T129-N157 WeakPolarHBondContact O-CA 3.46Å; T129-N157 WeakPolarHBondContact O-CB 3.38Å; T129-N157 PolarHBondContact O-N 2.98Å; T129-N157 PolarHBondContact OG1-N 3.28Å; T129-N157 PolarHBondContact OG1-ND2 3.27Å; T129-Y158 PolarHBondContact O-N 3.48Å; T129-Y158 VanDerWaalsContact O-N 3.11Å; T129-L281 CarbonylContact C-O 3.59Å; T129-L281 WeakPolarHBondContact CA-O 3.41Å; T129-L281 HydrophobicContact CG2-CB 4.05Å; T129-L281 HydrophobicContact CG2-CD2 4Å
130	A	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.2	176.7	0	0	0	0	0	113	F156 Y158 F271 L281 L282 V283	A130-F156 VanDerWaalsContact C-CD1 3.41Å; A130-Y158 WeakPolarHBondContact CA-O 3.34Å; A130-Y158 HydrophobicContact CB-CD1 4.18Å; A130-F271 HydrophobicContact CB-CD1 3.81Å; A130-F271 HydrophobicContact CB-CD2 3.52Å; A130-F271 HydrophobicContact CB-CE1 3.72Å; A130-F271 HydrophobicContact CB-CE2 3.43Å; A130-F271 VanDerWaalsContact CB-CE2 3.43Å; A130-F271 HydrophobicContact CB-CG 3.69Å; A130-F271 HydrophobicContact CB-CZ 3.52Å; A130-L281 PolarHBondContact N-O 3.32Å; A130-L282 HydrophobicContact CB-CD1 4.41Å; A130-V283 PolarHBondContact O-N 3.41Å
131	L	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.4	166.3	174.8	66.2	0	0	0	108.9	W135 P151 F156 Y158 F159 Y160 V283	L131-W135 HydrophobicContact CD2-CB 4.08Å; L131-W135 HydrophobicContact CD2-CD2 4.08Å; L131-W135 HydrophobicContact CD2-CE3 3.44Å; L131-W135 VanDerWaalsContact CD2-CE3 3.44Å; L131-W135 HydrophobicContact CD2-CG 4.39Å; L131-W135 HydrophobicContact CD2-CZ3 4.14Å; L131-P151 HydrophobicContact CD2-CB 3.86Å; L131-P151 HydrophobicContact CD2-CG 3.66Å; L131-F156 HydrophobicContact CB-CD1 3.78Å; L131-F156 HydrophobicContact CB-CD2 4.14Å; L131-F156 HydrophobicContact CB-CE1 3.87Å; L131-F156 HydrophobicContact CB-CE2 4.23Å; L131-F156 HydrophobicContact CB-CG 3.9Å; L131-F156 HydrophobicContact CB-CZ 4.09Å; L131-F156 HydrophobicContact CD2-CE2 4.48Å; L131-Y158 PolarHBondContact N-O 3.43Å; L131-F159 HydrophobicContact CB-CD2 4.03Å; L131-F159 HydrophobicContact CD2-CD2 3.78Å; L131-F159 HydrophobicContact CD2-CE2 3.8Å; L131-F159 HydrophobicContact CG-CD2 3.87Å; L131-F159 HydrophobicContact CG-CE2 4.07Å; L131-F159 WeakPolarHBondContact O-CA 3.48Å; L131-F159 WeakPolarHBondContact O-CD2 3.38Å; L131-Y160 PolarHBondContact O-N 3.16Å; L131-V283 WeakPolarHBondContact CA-O 3.34Å; L131-V283 HydrophobicContact CD1-CB 3.81Å; L131-V283 HydrophobicContact CD1-CG1 3.56Å
132	I	98.9	Very high	98.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.1	177.3	-52.3	-61.2	0	0	0	108.4	Y158 Y160 L264 E267 A268 L282 V283 L284 S285	I132-Y158 HydrophobicContact CD1-CD1 3.83Å; I132-Y158 HydrophobicContact CD1-CE1 3.69Å; I132-Y160 CarbonylContact C-O 3.58Å; I132-Y160 VanDerWaalsContact CA-O 3.27Å; I132-Y160 WeakPolarHBondContact CA-O 3.42Å; I132-Y160 HydrophobicContact CG2-CD1 4.27Å; I132-L264 HydrophobicContact CG2-CB 4.11Å; I132-L264 HydrophobicContact CG2-CD2 3.85Å; I132-L264 WeakPolarHBondContact CG2-O 3.17Å; I132-E267 HydrophobicContact CD1-CB 4.22Å; I132-E267 HydrophobicContact CG2-CB 4.23Å; I132-A268 HydrophobicContact CG1-CB 4.44Å; I132-L282 HydrophobicContact CB-CD1 4.36Å; I132-L282 HydrophobicContact CG1-CD1 3.61Å; I132-V283 PolarHBondContact N-O 3.28Å; I132-L284 HydrophobicContact CB-CD1 3.71Å; I132-L284 HydrophobicContact CG2-CD1 3.64Å; I132-S285 PolarHBondContact O-N 2.84Å
133	G	98.8	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.6	-130.8	177.3	0	0	0	0	0	114.7	Y160 G161 I162 S285	G133-Y160 PolarHBondContact N-O 3.22Å; G133-G161 CarbonylContact O-C 3.59Å; G133-G161 VanDerWaalsContact O-CA 3.29Å; G133-G161 WeakPolarHBondContact O-CA 3.44Å; G133-I162 PolarHBondContact O-N 3.34Å; G133-S285 CarbonylContact C-O 3.53Å; G133-S285 WeakPolarHBondContact CA-O 3.21Å
134	K	98.9	Very high	98.4	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.1	-168.5	178	176.5	165.4	-178.3	0	112.9	D35 C75 R79 H136 I162 T165 S285 L287	D35-K134 IonicContact OD1-NZ 2.84Å; D35-K134 PolarHBondContact OD1-NZ 2.73Å; D35-K134 WeakPolarHBondContact OD2-CD 3.42Å; D35-K134 WeakPolarHBondContact OD2-CE 3.41Å; D35-K134 IonicContact OD2-NZ 3.9Å; D35-K134 PolarHBondContact OD2-NZ 3.22Å; C75-K134 PolarHBondContact SG-NZ 3.44Å; C75-K134 VanDerWaalsContact SG-NZ 3.42Å; R79-K134 PolarHBondContact NH1-O 3.34Å; R79-K134 VanDerWaalsContact NH1-O 3.09Å; K134-H136 HydrophobicContact CD-CB 4.5Å; K134-H136 VanDerWaalsContact CE-ND1 3.31Å; K134-H136 WeakPolarHBondContact CE-ND1 3.39Å; K134-H136 HydrophobicContact CG-CB 4.11Å; K134-I162 HydrophobicContact CB-CG1 4.26Å; K134-T165 WeakPolarHBondContact CE-OG1 3.36Å; K134-T165 PolarHBondContact NZ-OG1 3.47Å; K134-S285 PolarHBondContact N-O 3.31Å; K134-S285 WeakPolarHBondContact O-CB 3.27Å; K134-S285 PolarHBondContact O-OG 2.82Å; K134-L287 HydrophobicContact CB-CD1 4.35Å
135	W	98.8	Very high	98.3	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.008	16%	0.157	C	C	.	.			trans	-93.3	-69.8	170.4	-179.7	-130.8	0	0	0	112.3	M83 L111 L131 L137 G138 H149 P151 H154 F156 I162	M83-W135 HydrophobicContact CE-CE3 4.28Å; M83-W135 HydrophobicContact CE-CZ3 3.73Å; M83-W135 HydrophobicContact CG-CH2 4.45Å; M83-W135 HydrophobicContact CG-CZ3 4.12Å; M83-W135 HydrophobicContact SD-CZ3 4Å; L111-W135 HydrophobicContact CD2-CH2 4.33Å; L111-W135 HydrophobicContact CD2-CZ2 4.4Å; L131-W135 HydrophobicContact CD2-CB 4.08Å; L131-W135 HydrophobicContact CD2-CD2 4.08Å; L131-W135 HydrophobicContact CD2-CE3 3.44Å; L131-W135 VanDerWaalsContact CD2-CE3 3.44Å; L131-W135 HydrophobicContact CD2-CG 4.39Å; L131-W135 HydrophobicContact CD2-CZ3 4.14Å; W135-L137 HydrophobicContact CD2-CB 4.08Å; W135-L137 HydrophobicContact CD2-CD1 4.25Å; W135-L137 HydrophobicContact CD2-CG 4.2Å; W135-L137 HydrophobicContact CE3-CD1 4.07Å; W135-L137 HydrophobicContact CE3-CG 4.42Å; W135-L137 HydrophobicContact CG-CB 4.47Å; W135-L137 HydrophobicContact CH2-CD1 3.67Å; W135-L137 HydrophobicContact CZ2-CB 3.86Å; W135-L137 HydrophobicContact CZ2-CD1 3.82Å; W135-L137 HydrophobicContact CZ2-CG 4.31Å; W135-L137 HydrophobicContact CZ3-CD1 3.79Å; W135-G138 VanDerWaalsContact CD1-O 3.31Å; W135-G138 PolarHBondContact NE1-O 3.4Å; W135-H149 PolarHBondContact NE1-O 3.38Å; W135-P151 HydrophobicContact CB-CG 4.16Å; W135-P151 HydrophobicContact CD2-CG 3.68Å; W135-P151 HydrophobicContact CE3-CG 4.13Å; W135-P151 HydrophobicContact CG-CG 3.7Å; W135-H154 HydrophobicContact CH2-CB 4.08Å; W135-H154 HydrophobicContact CZ2-CB 4.19Å; W135-F156 HydrophobicContact CH2-CE2 4.37Å; W135-F156 AromaticContact CZ3-CE2 3.9Å; W135-F156 HydrophobicContact CZ3-CE2 3.9Å; W135-I162 PolarHBondContact N-O 2.86Å
136	H	98.8	Very high	98.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	15%	0.154	C	C	.	.			trans	66.1	25.5	178.2	-151.4	-173.2	0	0	0	116.6	C75 T76 F102 K134 S163 L164	C75-H136 WeakPolarHBondContact CB-ND1 3.3Å; T76-H136 WeakPolarHBondContact CG2-O 3.4Å; T76-H136 PolarHBondContact OG1-CD2 3.11Å; T76-H136 PolarHBondContact OG1-CE1 2.99Å; T76-H136 PolarHBondContact OG1-NE2 2.68Å; T76-H136 PolarHBondContact OG1-O 3.46Å; T76-H136 VanDerWaalsContact OG1-O 3.12Å; F102-H136 PolarHBondContact O-NE2 2.7Å; K134-H136 HydrophobicContact CD-CB 4.5Å; K134-H136 VanDerWaalsContact CE-ND1 3.31Å; K134-H136 WeakPolarHBondContact CE-ND1 3.39Å; K134-H136 HydrophobicContact CG-CB 4.11Å; H136-S163 VanDerWaalsContact CA-O 3.29Å; H136-S163 WeakPolarHBondContact CA-O 3.31Å; H136-S163 PolarHBondContact N-O 3.31Å; H136-L164 WeakPolarHBondContact CA-O 3.43Å; H136-L164 VanDerWaalsContact CB-O 3.26Å; H136-L164 WeakPolarHBondContact CB-O 3.33Å; H136-L164 PolarHBondContact N-O 3.06Å
137	L	98.9	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-123.3	35	-179.6	-51	177.4	0	0	0	113.2	T76 R79 A80 M83 M93 G110 L111 W135	T76-L137 HydrophobicContact CG2-CD2 4.12Å; T76-L137 VanDerWaalsContact O-CD2 3.29Å; T76-L137 WeakPolarHBondContact O-CD2 3.34Å; R79-L137 HydrophobicContact CB-CD2 3.91Å; R79-L137 HydrophobicContact CB-CG 4.43Å; A80-L137 HydrophobicContact CB-CD2 3.92Å; M83-L137 HydrophobicContact CB-CD1 4.49Å; M83-L137 HydrophobicContact CG-CD1 3.93Å; M93-L137 HydrophobicContact CE-CB 4.24Å; M93-L137 HydrophobicContact CE-CD2 3.58Å; G110-L137 CarbonylContact C-O 3.51Å; G110-L137 WeakPolarHBondContact CA-O 3.31Å; L111-L137 HydrophobicContact CB-CB 3.97Å; L111-L137 HydrophobicContact CB-CD1 4.41Å; L111-L137 HydrophobicContact CD2-CD1 4.23Å; L111-L137 PolarHBondContact N-O 3.17Å; W135-L137 HydrophobicContact CD2-CB 4.08Å; W135-L137 HydrophobicContact CD2-CD1 4.25Å; W135-L137 HydrophobicContact CD2-CG 4.2Å; W135-L137 HydrophobicContact CE3-CD1 4.07Å; W135-L137 HydrophobicContact CE3-CG 4.42Å; W135-L137 HydrophobicContact CG-CB 4.47Å; W135-L137 HydrophobicContact CH2-CD1 3.67Å; W135-L137 HydrophobicContact CZ2-CB 3.86Å; W135-L137 HydrophobicContact CZ2-CD1 3.82Å; W135-L137 HydrophobicContact CZ2-CG 4.31Å; W135-L137 HydrophobicContact CZ3-CD1 3.79Å
138	G	98.4	Very high	98.3	Very high	7 Å²	7	25.6 Å²	25.6	7%	0.072	14%	0.139	C	C	.	.			trans	86.4	179.3	178.4	0	0	0	0	0	113.9	G109 W135	G109-G138 WeakPolarHBondContact O-CA 3.38Å; W135-G138 VanDerWaalsContact CD1-O 3.31Å; W135-G138 PolarHBondContact NE1-O 3.4Å
139	M	98.4	Very high	98.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.132	C	C	.	.			trans	-137.2	-62.8	-175.9	-163.7	63.7	175.6	0	0	114.2	F147 C148 H149 H150 S163 M245 L561	M139-F147 HydrophobicContact CE-CD1 3.76Å; M139-F147 HydrophobicContact CE-CE1 3.68Å; M139-F147 HydrophobicContact CG-CD1 4.41Å; M139-F147 CarbonylContact O-C 3.6Å; M139-F147 VanDerWaalsContact O-CA 3.23Å; M139-F147 WeakPolarHBondContact O-CA 3.39Å; M139-C148 PolarHBondContact O-N 3.27Å; M139-H149 PolarHBondContact O-N 3.22Å; M139-H150 WeakPolarHBondContact CE-CD2 3.35Å; M139-H150 PolarHBondContact O-N 3.07Å; M139-S163 PolarHBondContact SD-OG 3.48Å; M139-S163 VanDerWaalsContact SD-OG 3.34Å; M139-M245 HydrophobicContact CE-CE 3.16Å; M139-M245 HydrophobicContact CE-SD 3.16Å; M139-M245 WeakPolarHBondContact CE-SD 3.28Å; M139-M245 HydrophobicContact SD-SD 4.28Å; M139-L561 HydrophobicContact CE-CD1 3.68Å; M139-L561 HydrophobicContact CG-CD1 4.16Å
140	S	98.5	Very high	98.3	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.021	13%	0.132	C	C	.	.			trans	-139.4	159.5	-173	-62.3	0	0	0	0	110.3	S108 S143 D146	S108-S140 WeakPolarHBondContact CA-O 3.47Å; S140-S143 VanDerWaalsContact CB-O 3.29Å; S140-S143 WeakPolarHBondContact CB-O 3.42Å; S140-D146 VanDerWaalsContact CA-OD1 3.27Å; S140-D146 WeakPolarHBondContact CA-OD1 3.16Å; S140-D146 WeakPolarHBondContact CB-OD1 3.38Å
141	C	98.1	Very high	98.3	Very high	23 Å²	23	24.7 Å²	24.7	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	-107.2	-64	-173.1	-72.9	0	0	0	0	111.8	S108 D146 C148 H149	S108-C141 VanDerWaalsContact CB-O 3.24Å; S108-C141 WeakPolarHBondContact CB-O 3.48Å; C141-D146 PolarHBondContact N-OD1 2.94Å; C141-D146 PolarHBondContact N-OD2 2.63Å; C141-C148 VanDerWaalsContact CA-SG 3.52Å; C141-C148 HydrophobicContact CB-CB 3.92Å; C141-C148 WeakPolarHBondContact CB-SG 3.39Å; C141-C148 PolarHBondContact N-SG 2.88Å; C141-C148 WeakPolarHBondContact SG-CB 3.48Å; C141-C148 CovalentContact SG-SG 2.01Å; C141-C148 PolarHBondContact SG-SG 3.18Å; C141-H149 PolarHBondContact SG-NE2 2.87Å
142	H	97.7	Very high	98.3	Very high	162 Å²	162	25.8 Å²	25.8	75%	0.75	14%	0.138	S	C	*	.	S	Bend	trans	-112.6	-36.6	-170.4	-57.3	92.8	0	0	0	111.7	D146	H142-D146 WeakPolarHBondContact CA-OD2 3.32Å; H142-D146 PolarHBondContact N-OD2 2.89Å
143	S	97.3	Very high	98.3	Very high	51 Å²	51	30.5 Å²	30.5	36%	0.357	16%	0.16	S	C	.	.	S	Bend	trans	-127.5	143.4	178.3	173.7	0	0	0	0	110.2	S140 T145 D146	S140-S143 VanDerWaalsContact CB-O 3.29Å; S140-S143 WeakPolarHBondContact CB-O 3.42Å; S143-T145 PolarHBondContact O-N 3.02Å; S143-T145 PolarHBondContact OG-N 3.44Å; S143-D146 PolarHBondContact N-OD2 3.25Å; S143-D146 PolarHBondContact O-N 3.32Å
144	K	96.1	Very high	98.3	Very high	95 Å²	95	30.8 Å²	30.8	41%	0.413	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-12.5	175.1	67.2	-174.2	169.3	74.8	0	115	F147 L561	K144-F147 WeakPolarHBondContact O-CZ 3.24Å; K144-L561 HydrophobicContact CB-CD2 4.22Å; K144-L561 VanDerWaalsContact O-CD2 3.24Å; K144-L561 WeakPolarHBondContact O-CD2 3.29Å
145	T	96.3	Very high	98.3	Very high	86 Å²	86	30.9 Å²	30.9	53%	0.528	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	5.8	179.4	63.2	0	0	0	0	114.2	S143 F147	S143-T145 PolarHBondContact O-N 3.02Å; S143-T145 PolarHBondContact OG-N 3.44Å; T145-F147 VanDerWaalsContact C-CD2 3.49Å; T145-F147 VanDerWaalsContact C-N 3.27Å; T145-F147 HydrophobicContact CG2-CE2 4.44Å; T145-F147 WeakPolarHBondContact O-CD2 3.48Å
146	D	98.1	Very high	98.3	Very high	44 Å²	44	30.8 Å²	30.8	24%	0.235	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.8	174.1	69.7	30.5	0	0	0	112.2	S140 C141 H142 S143 C148 H153	S140-D146 VanDerWaalsContact CA-OD1 3.27Å; S140-D146 WeakPolarHBondContact CA-OD1 3.16Å; S140-D146 WeakPolarHBondContact CB-OD1 3.38Å; C141-D146 PolarHBondContact N-OD1 2.94Å; C141-D146 PolarHBondContact N-OD2 2.63Å; H142-D146 WeakPolarHBondContact CA-OD2 3.32Å; H142-D146 PolarHBondContact N-OD2 2.89Å; S143-D146 PolarHBondContact N-OD2 3.25Å; S143-D146 PolarHBondContact O-N 3.32Å; D146-C148 PolarHBondContact O-N 2.94Å; D146-C148 PolarHBondContact OD1-N 2.89Å; D146-H153 PolarHBondContact O-CE1 2.87Å
147	F	98.5	Very high	98.3	Very high	19 Å²	19	34 Å²	34	8%	0.083	18%	0.179	C	C	.	.			trans	48.8	32.5	175.7	-64	-61.2	0	0	0	113.5	M139 K144 T145 H149 H150 H153 Y248 L561	M139-F147 HydrophobicContact CE-CD1 3.76Å; M139-F147 HydrophobicContact CE-CE1 3.68Å; M139-F147 HydrophobicContact CG-CD1 4.41Å; M139-F147 CarbonylContact O-C 3.6Å; M139-F147 VanDerWaalsContact O-CA 3.23Å; M139-F147 WeakPolarHBondContact O-CA 3.39Å; K144-F147 WeakPolarHBondContact O-CZ 3.24Å; T145-F147 VanDerWaalsContact C-CD2 3.49Å; T145-F147 VanDerWaalsContact C-N 3.27Å; T145-F147 HydrophobicContact CG2-CE2 4.44Å; T145-F147 WeakPolarHBondContact O-CD2 3.48Å; F147-H149 PolarHBondContact O-N 3.5Å; F147-H150 HydrophobicContact CB-CB 3.65Å; F147-H150 HydrophobicContact CD1-CB 4.41Å; F147-H150 HydrophobicContact CG-CB 4.41Å; F147-H150 WeakPolarHBondContact O-CB 3.36Å; F147-H150 PolarHBondContact O-N 3.01Å; F147-H153 PolarHBondContact O-ND1 2.79Å; F147-Y248 HydrophobicContact CB-CD1 4Å; F147-Y248 HydrophobicContact CB-CE1 3.92Å; F147-Y248 HydrophobicContact CD1-CD1 4.23Å; F147-Y248 AromaticContact CD2-CD1 3.49Å; F147-Y248 HydrophobicContact CD2-CD1 3.49Å; F147-Y248 VanDerWaalsContact CD2-CD1 3.49Å; F147-Y248 HydrophobicContact CD2-CE1 4.09Å; F147-Y248 HydrophobicContact CD2-CG 4.08Å; F147-Y248 AromaticContact CE2-CD1 3.95Å; F147-Y248 HydrophobicContact CE2-CD1 3.95Å; F147-Y248 HydrophobicContact CE2-CG 4.15Å; F147-Y248 AromaticContact CG-CD1 3.64Å; F147-Y248 HydrophobicContact CG-CD1 3.64Å; F147-Y248 HydrophobicContact CG-CE1 4.1Å; F147-Y248 HydrophobicContact CZ-CD1 4.5Å; F147-L561 HydrophobicContact CE1-CD1 4.19Å; F147-L561 HydrophobicContact CE1-CD2 4.09Å; F147-L561 HydrophobicContact CZ-CD2 4.21Å
148	C	98.6	Very high	98.3	Very high	16 Å²	16	35.6 Å²	35.6	11%	0.108	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.5	-171	67.2	0	0	0	0	113.6	T113 M139 C141 D146 H154	T113-C148 HydrophobicContact CG2-CB 3.91Å; T113-C148 WeakPolarHBondContact CG2-O 3.44Å; M139-C148 PolarHBondContact O-N 3.27Å; C141-C148 VanDerWaalsContact CA-SG 3.52Å; C141-C148 HydrophobicContact CB-CB 3.92Å; C141-C148 WeakPolarHBondContact CB-SG 3.39Å; C141-C148 PolarHBondContact N-SG 2.88Å; C141-C148 WeakPolarHBondContact SG-CB 3.48Å; C141-C148 CovalentContact SG-SG 2.01Å; C141-C148 PolarHBondContact SG-SG 3.18Å; D146-C148 PolarHBondContact O-N 2.94Å; D146-C148 PolarHBondContact OD1-N 2.89Å; C148-H154 PolarHBondContact O-NE2 2.96Å
149	H	98.8	Very high	98.3	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	5.7	-178.8	-59.8	-51	0	0	0	113.1	S108 G110 L111 W135 M139 C141 F147	S108-H149 PolarHBondContact O-NE2 3.44Å; S108-H149 VanDerWaalsContact O-NE2 3.11Å; G110-H149 PolarHBondContact N-NE2 3.36Å; L111-H149 PolarHBondContact O-CE1 3.29Å; L111-H149 PolarHBondContact O-ND1 2.83Å; W135-H149 PolarHBondContact NE1-O 3.38Å; M139-H149 PolarHBondContact O-N 3.22Å; C141-H149 PolarHBondContact SG-NE2 2.87Å; F147-H149 PolarHBondContact O-N 3.5Å
150	H	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-69.2	146.7	-177.3	-174.9	-98.5	0	0	0	111.5	M139 F147 L152 H153 H154 F159 N247 Y248	M139-H150 WeakPolarHBondContact CE-CD2 3.35Å; M139-H150 PolarHBondContact O-N 3.07Å; F147-H150 HydrophobicContact CB-CB 3.65Å; F147-H150 HydrophobicContact CD1-CB 4.41Å; F147-H150 HydrophobicContact CG-CB 4.41Å; F147-H150 WeakPolarHBondContact O-CB 3.36Å; F147-H150 PolarHBondContact O-N 3.01Å; H150-L152 WeakPolarHBondContact ND1-CB 3.32Å; H150-L152 PolarHBondContact ND1-N 3.06Å; H150-L152 VanDerWaalsContact ND1-N 3.17Å; H150-L152 PolarHBondContact O-N 3.44Å; H150-H153 PolarHBondContact O-N 2.82Å; H150-H154 PolarHBondContact O-CD2 3.46Å; H150-H154 PolarHBondContact O-N 2.84Å; H150-F159 AromaticContact NE2-CD1 3.58Å; H150-N247 PolarHBondContact CE1-O 3.1Å; H150-N247 PolarHBondContact NE2-O 3.44Å; H150-Y248 HydrophobicContact CB-CE1 4.41Å; H150-Y248 AromaticContact CE1-CD1 3.71Å; H150-Y248 AromaticContact CE1-CE1 3.81Å; H150-Y248 AromaticContact CG-CE1 3.91Å; H150-Y248 AromaticContact ND1-CD1 3.6Å; H150-Y248 AromaticContact ND1-CE1 3.31Å; H150-Y248 VanDerWaalsContact ND1-CE1 3.31Å; H150-Y248 WeakPolarHBondContact ND1-CE1 3.46Å
151	P	98.9	Very high	98.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-50.3	-37.5	179	-29	33.6	0	0	0	114.6	L131 W135 H153 H154 G155 F156 F159	L131-P151 HydrophobicContact CD2-CB 3.86Å; L131-P151 HydrophobicContact CD2-CG 3.66Å; W135-P151 HydrophobicContact CB-CG 4.16Å; W135-P151 HydrophobicContact CD2-CG 3.68Å; W135-P151 HydrophobicContact CE3-CG 4.13Å; W135-P151 HydrophobicContact CG-CG 3.7Å; P151-H153 VanDerWaalsContact C-N 3.25Å; P151-H153 PolarHBondContact O-N 2.84Å; P151-H154 CarbonylContact O-C 3.52Å; P151-H154 VanDerWaalsContact O-C 3.28Å; P151-H154 WeakPolarHBondContact O-CA 3.34Å; P151-H154 PolarHBondContact O-N 3.37Å; P151-G155 PolarHBondContact O-N 2.97Å; P151-F156 HydrophobicContact CB-CB 4.25Å; P151-F156 HydrophobicContact CB-CD2 3.82Å; P151-F156 HydrophobicContact CB-CG 4.35Å; P151-F156 WeakPolarHBondContact O-CB 3.21Å; P151-F156 WeakPolarHBondContact O-CD2 3.38Å; P151-F156 PolarHBondContact O-N 2.73Å; P151-F156 VanDerWaalsContact O-N 3.14Å; P151-F159 HydrophobicContact CB-CB 4.34Å; P151-F159 HydrophobicContact CB-CD2 4.37Å; P151-F159 HydrophobicContact CB-CG 4.29Å; P151-F159 HydrophobicContact CG-CD1 4.25Å; P151-F159 HydrophobicContact CG-CD2 3.98Å; P151-F159 HydrophobicContact CG-CE1 4.43Å; P151-F159 HydrophobicContact CG-CE2 4.19Å; P151-F159 HydrophobicContact CG-CG 4.02Å; P151-F159 HydrophobicContact CG-CZ 4.4Å
152	L	98.8	Very high	98.4	Very high	22 Å²	22	34.3 Å²	34.3	12%	0.115	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-67.5	-23.2	179.3	-85.3	49.7	0	0	0	113.9	H150 H154 F156 F159 N247 Y248	H150-L152 WeakPolarHBondContact ND1-CB 3.32Å; H150-L152 PolarHBondContact ND1-N 3.06Å; H150-L152 VanDerWaalsContact ND1-N 3.17Å; H150-L152 PolarHBondContact O-N 3.44Å; L152-H154 VanDerWaalsContact C-N 3.35Å; L152-F156 WeakPolarHBondContact CA-O 3.34Å; L152-F156 HydrophobicContact CD1-CB 4.43Å; L152-F159 HydrophobicContact CD1-CB 3.56Å; L152-N247 HydrophobicContact CD2-CB 3.75Å; L152-Y248 HydrophobicContact CB-CE1 3.98Å; L152-Y248 VanDerWaalsContact CB-OH 3.27Å; L152-Y248 WeakPolarHBondContact CB-OH 3.48Å; L152-Y248 HydrophobicContact CD2-CD2 4.17Å; L152-Y248 HydrophobicContact CD2-CE1 4.13Å; L152-Y248 HydrophobicContact CD2-CE2 3.65Å
153	H	98.8	Very high	98.4	Very high	100 Å²	100	26.8 Å²	26.8	46%	0.463	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-86.4	-11	171.8	-72.6	-172.4	0	0	0	112.4	D146 F147 H150 P151 Y248	D146-H153 PolarHBondContact O-CE1 2.87Å; F147-H153 PolarHBondContact O-ND1 2.79Å; H150-H153 PolarHBondContact O-N 2.82Å; P151-H153 VanDerWaalsContact C-N 3.25Å; P151-H153 PolarHBondContact O-N 2.84Å; H153-Y248 PolarHBondContact CD2-OH 2.83Å; H153-Y248 VanDerWaalsContact CD2-OH 3.24Å; H153-Y248 PolarHBondContact NE2-OH 2.85Å
154	H	98.8	Very high	98.4	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.028	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-111.8	37.6	176.2	-70.8	-75.7	0	0	0	112.6	L111 P112 T117 W135 C148 H150 P151 L152	L111-H154 PolarHBondContact O-CE1 2.91Å; L111-H154 PolarHBondContact O-NE2 3.04Å; P112-H154 PolarHBondContact O-CE1 2.97Å; T117-H154 HydrophobicContact CG2-CB 3.89Å; T117-H154 PolarHBondContact OG1-O 2.93Å; W135-H154 HydrophobicContact CH2-CB 4.08Å; W135-H154 HydrophobicContact CZ2-CB 4.19Å; C148-H154 PolarHBondContact O-NE2 2.96Å; H150-H154 PolarHBondContact O-CD2 3.46Å; H150-H154 PolarHBondContact O-N 2.84Å; P151-H154 CarbonylContact O-C 3.52Å; P151-H154 VanDerWaalsContact O-C 3.28Å; P151-H154 WeakPolarHBondContact O-CA 3.34Å; P151-H154 PolarHBondContact O-N 3.37Å; L152-H154 VanDerWaalsContact C-N 3.35Å
155	G	98.8	Very high	98.4	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-6	166.2	0	0	0	0	0	116.4	K123 T129 P151	K123-G155 WeakPolarHBondContact CD-O 3.39Å; T129-G155 PolarHBondContact OG1-O 2.81Å; P151-G155 PolarHBondContact O-N 2.97Å
156	F	98.9	Very high	98.5	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	8%	0.082	C	C	.	.			trans	-80.3	140.1	173.5	-65.3	-77.2	0	0	0	111.6	M83 A119 T129 A130 L131 W135 P151 L152 L281 V283	M83-F156 HydrophobicContact CE-CE2 4.44Å; M83-F156 HydrophobicContact CE-CZ 4.23Å; M83-F156 HydrophobicContact SD-CE2 4.24Å; M83-F156 HydrophobicContact SD-CZ 4.16Å; A119-F156 HydrophobicContact CB-CD1 4Å; A119-F156 HydrophobicContact CB-CD2 4.09Å; A119-F156 HydrophobicContact CB-CE1 3.68Å; A119-F156 HydrophobicContact CB-CE2 3.77Å; A119-F156 HydrophobicContact CB-CG 4.21Å; A119-F156 HydrophobicContact CB-CZ 3.57Å; T129-F156 VanDerWaalsContact OG1-CA 3.26Å; T129-F156 WeakPolarHBondContact OG1-CA 3.27Å; A130-F156 VanDerWaalsContact C-CD1 3.41Å; L131-F156 HydrophobicContact CB-CD1 3.78Å; L131-F156 HydrophobicContact CB-CD2 4.14Å; L131-F156 HydrophobicContact CB-CE1 3.87Å; L131-F156 HydrophobicContact CB-CE2 4.23Å; L131-F156 HydrophobicContact CB-CG 3.9Å; L131-F156 HydrophobicContact CB-CZ 4.09Å; L131-F156 HydrophobicContact CD2-CE2 4.48Å; W135-F156 HydrophobicContact CH2-CE2 4.37Å; W135-F156 AromaticContact CZ3-CE2 3.9Å; W135-F156 HydrophobicContact CZ3-CE2 3.9Å; P151-F156 HydrophobicContact CB-CB 4.25Å; P151-F156 HydrophobicContact CB-CD2 3.82Å; P151-F156 HydrophobicContact CB-CG 4.35Å; P151-F156 WeakPolarHBondContact O-CB 3.21Å; P151-F156 WeakPolarHBondContact O-CD2 3.38Å; P151-F156 PolarHBondContact O-N 2.73Å; P151-F156 VanDerWaalsContact O-N 3.14Å; L152-F156 WeakPolarHBondContact CA-O 3.34Å; L152-F156 HydrophobicContact CD1-CB 4.43Å; F156-L281 HydrophobicContact CE1-CD2 4.46Å; F156-V283 HydrophobicContact CE1-CB 4.1Å; F156-V283 HydrophobicContact CE1-CG2 3.7Å; F156-V283 HydrophobicContact CZ-CB 4.27Å; F156-V283 HydrophobicContact CZ-CG2 3.82Å
157	N	98.8	Very high	98.3	Very high	70 Å²	70	14.5 Å²	14.5	37%	0.374	7%	0.072	S	C	.	.	S	Bend	trans	-87.5	-30.6	171.6	-57.1	156.7	0	0	0	111.5	K123 T129	K123-N157 WeakPolarHBondContact CD-ND2 3.21Å; K123-N157 WeakPolarHBondContact CE-ND2 3.27Å; K123-N157 PolarHBondContact NZ-ND2 3.36Å; T129-N157 PolarHBondContact N-OD1 2.86Å; T129-N157 WeakPolarHBondContact O-CA 3.46Å; T129-N157 WeakPolarHBondContact O-CB 3.38Å; T129-N157 PolarHBondContact O-N 2.98Å; T129-N157 PolarHBondContact OG1-N 3.28Å; T129-N157 PolarHBondContact OG1-ND2 3.27Å
158	Y	98.9	Very high	98.1	Very high	33 Å²	33	14.8 Å²	14.8	13%	0.129	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.4	-177.9	-175.9	-111.3	0	0	0	111	T129 A130 L131 I132 R246 E267	T129-Y158 PolarHBondContact O-N 3.48Å; T129-Y158 VanDerWaalsContact O-N 3.11Å; A130-Y158 WeakPolarHBondContact CA-O 3.34Å; A130-Y158 HydrophobicContact CB-CD1 4.18Å; L131-Y158 PolarHBondContact N-O 3.43Å; I132-Y158 HydrophobicContact CD1-CD1 3.83Å; I132-Y158 HydrophobicContact CD1-CE1 3.69Å; Y158-R246 HydrophobicContact CE2-CG 4Å; Y158-R246 PolarHBondContact OH-NE 2.97Å; Y158-E267 WeakPolarHBondContact CE1-OE2 3.48Å; Y158-E267 VanDerWaalsContact OH-CD 3.23Å; Y158-E267 PolarHBondContact OH-OE1 3.42Å; Y158-E267 PolarHBondContact OH-OE2 2.87Å
159	F	98.9	Very high	97.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.2	173.1	174.1	-125.7	0	0	0	110.3	L131 H150 P151 L152 M245 R246 N247	L131-F159 HydrophobicContact CB-CD2 4.03Å; L131-F159 HydrophobicContact CD2-CD2 3.78Å; L131-F159 HydrophobicContact CD2-CE2 3.8Å; L131-F159 HydrophobicContact CG-CD2 3.87Å; L131-F159 HydrophobicContact CG-CE2 4.07Å; L131-F159 WeakPolarHBondContact O-CA 3.48Å; L131-F159 WeakPolarHBondContact O-CD2 3.38Å; H150-F159 AromaticContact NE2-CD1 3.58Å; P151-F159 HydrophobicContact CB-CB 4.34Å; P151-F159 HydrophobicContact CB-CD2 4.37Å; P151-F159 HydrophobicContact CB-CG 4.29Å; P151-F159 HydrophobicContact CG-CD1 4.25Å; P151-F159 HydrophobicContact CG-CD2 3.98Å; P151-F159 HydrophobicContact CG-CE1 4.43Å; P151-F159 HydrophobicContact CG-CE2 4.19Å; P151-F159 HydrophobicContact CG-CG 4.02Å; P151-F159 HydrophobicContact CG-CZ 4.4Å; L152-F159 HydrophobicContact CD1-CB 3.56Å; F159-M245 HydrophobicContact CD1-CB 4.27Å; F159-M245 HydrophobicContact CE1-CB 3.79Å; F159-M245 HydrophobicContact CE1-SD 4.41Å; F159-R246 CarbonylContact O-C 3.5Å; F159-R246 WeakPolarHBondContact O-CA 3.44Å; F159-N247 PolarHBondContact N-OD1 3.02Å; F159-N247 VanDerWaalsContact N-OD1 3.1Å; F159-N247 PolarHBondContact O-N 3.24Å
160	Y	98.9	Very high	97.8	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	115.5	167.5	174.2	-88.9	0	0	0	108.8	L131 I132 G133 M244 M245 I251 L264 E267 E575	L131-Y160 PolarHBondContact O-N 3.16Å; I132-Y160 CarbonylContact C-O 3.58Å; I132-Y160 VanDerWaalsContact CA-O 3.27Å; I132-Y160 WeakPolarHBondContact CA-O 3.42Å; I132-Y160 HydrophobicContact CG2-CD1 4.27Å; G133-Y160 PolarHBondContact N-O 3.22Å; Y160-M244 HydrophobicContact CD1-CE 4.24Å; Y160-M244 HydrophobicContact CE1-CE 3.57Å; Y160-M244 HydrophobicContact CE2-CE 4.39Å; Y160-M245 WeakPolarHBondContact CA-O 3.5Å; Y160-I251 HydrophobicContact CD2-CD1 3.83Å; Y160-I251 HydrophobicContact CE2-CD1 3.36Å; Y160-L264 HydrophobicContact CD1-CD2 3.89Å; Y160-L264 HydrophobicContact CE1-CD2 3.79Å; Y160-E267 HydrophobicContact CD1-CB 3.84Å; Y160-E267 HydrophobicContact CD1-CG 3.57Å; Y160-E267 HydrophobicContact CD2-CG 3.85Å; Y160-E267 WeakPolarHBondContact CD2-OE1 3.28Å; Y160-E267 HydrophobicContact CE1-CB 4.28Å; Y160-E267 HydrophobicContact CE1-CG 3.73Å; Y160-E267 HydrophobicContact CE2-CG 3.98Å; Y160-E267 WeakPolarHBondContact CE2-OE1 3.27Å; Y160-E267 HydrophobicContact CG-CB 4.12Å; Y160-E267 HydrophobicContact CG-CG 3.65Å; Y160-E575 PolarHBondContact OH-OE2 3.11Å
161	G	98.6	Very high	97.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-144.9	-177	0	0	0	0	0	114.4	G133 M244 M245	G133-G161 CarbonylContact O-C 3.59Å; G133-G161 VanDerWaalsContact O-CA 3.29Å; G133-G161 WeakPolarHBondContact O-CA 3.44Å; G161-M244 CarbonylContact O-C 3.52Å; G161-M244 WeakPolarHBondContact O-CA 3.49Å; G161-M245 PolarHBondContact N-O 3.4Å; G161-M245 PolarHBondContact O-N 2.98Å
162	I	98.7	Very high	97.3	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.036	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.5	-174.9	66.3	173.1	0	0	0	111.7	G133 K134 W135 F243 M244 M255 L287	G133-I162 PolarHBondContact O-N 3.34Å; K134-I162 HydrophobicContact CB-CG1 4.26Å; W135-I162 PolarHBondContact N-O 2.86Å; I162-F243 WeakPolarHBondContact CG2-O 3.22Å; I162-M244 HydrophobicContact CG2-SD 3.5Å; I162-M244 VanDerWaalsContact CG2-SD 3.5Å; I162-M255 HydrophobicContact CG2-SD 3.74Å; I162-L287 HydrophobicContact CD1-CD1 3.96Å; I162-L287 HydrophobicContact CD1-CD2 3.92Å; I162-L287 HydrophobicContact CD1-CG 3.72Å; I162-L287 HydrophobicContact CG1-CD1 4.08Å; I162-L287 HydrophobicContact CG1-CG 4.4Å
163	S	97.5	Very high	96.8	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.028	15%	0.147	C	C	.	.	S	Bend	trans	-69.9	-39.3	177.4	167.5	0	0	0	0	112.3	H136 M139	H136-S163 VanDerWaalsContact CA-O 3.29Å; H136-S163 WeakPolarHBondContact CA-O 3.31Å; H136-S163 PolarHBondContact N-O 3.31Å; M139-S163 PolarHBondContact SD-OG 3.48Å; M139-S163 VanDerWaalsContact SD-OG 3.34Å
164	L	97.1	Very high	96.2	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	14%	0.137	C	C	.	.	S	Bend	trans	-94.5	-120.8	-175.6	-163.6	72.4	0	0	0	111.5	F102 L103 T105 H136 L167 N241	F102-L164 HydrophobicContact CB-CD1 3.86Å; F102-L164 WeakPolarHBondContact O-CD1 3.45Å; L103-L164 WeakPolarHBondContact O-CD2 3.31Å; T105-L164 HydrophobicContact CG2-CB 3.82Å; T105-L164 HydrophobicContact CG2-CD2 4.42Å; H136-L164 WeakPolarHBondContact CA-O 3.43Å; H136-L164 VanDerWaalsContact CB-O 3.26Å; H136-L164 WeakPolarHBondContact CB-O 3.33Å; H136-L164 PolarHBondContact N-O 3.06Å; L164-L167 HydrophobicContact CD2-CD1 4.47Å; L164-N241 HydrophobicContact CD2-CB 4.1Å
165	T	97.8	Very high	95.6	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.025	16%	0.159	C	C	.	.			trans	-147.6	156	179.1	-174.5	0	0	0	0	109.2	K134 L167	K134-T165 WeakPolarHBondContact CE-OG1 3.36Å; K134-T165 PolarHBondContact NZ-OG1 3.47Å; T165-L167 HydrophobicContact CG2-CD1 4.36Å; T165-L167 HydrophobicContact CG2-CD2 3.66Å; T165-L167 HydrophobicContact CG2-CG 3.87Å
166	N	97.3	Very high	95	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.164	C	C	.	.			trans	-65.5	141.2	166.2	-170.8	31.7	0	0	0	108.9	Y257 L287 H290 T291 A292	N166-Y257 PolarHBondContact OD1-OH 3.29Å; N166-L287 HydrophobicContact CB-CB 4.3Å; N166-L287 HydrophobicContact CB-CD2 4.34Å; N166-L287 HydrophobicContact CB-CG 4.26Å; N166-H290 PolarHBondContact ND2-O 3.39Å; N166-H290 PolarHBondContact O-CE1 3.22Å; N166-H290 PolarHBondContact O-ND1 2.97Å; N166-T291 CarbonylContact C-O 3.54Å; N166-T291 VanDerWaalsContact C-O 3.23Å; N166-T291 VanDerWaalsContact O-O 3.12Å; N166-A292 PolarHBondContact ND2-N 3.49Å; N166-A292 PolarHBondContact ND2-O 3.2Å
167	L	95.1	Very high	94.6	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	18%	0.176	C	C	.	.			trans	-142.3	160.7	-179.4	-64.7	172.8	0	0	0	109.5	L103 L164 T165 D169 C170 V177 F237 T291 A292	L103-L167 HydrophobicContact CD2-CD1 4.45Å; L164-L167 HydrophobicContact CD2-CD1 4.47Å; T165-L167 HydrophobicContact CG2-CD1 4.36Å; T165-L167 HydrophobicContact CG2-CD2 3.66Å; T165-L167 HydrophobicContact CG2-CG 3.87Å; L167-D169 PolarHBondContact O-N 3.01Å; L167-C170 WeakPolarHBondContact O-CB 3.43Å; L167-C170 PolarHBondContact O-N 3.42Å; L167-V177 HydrophobicContact CB-CG1 4.48Å; L167-V177 HydrophobicContact CD1-CG2 4.38Å; L167-V177 HydrophobicContact CD2-CG1 4.17Å; L167-V177 HydrophobicContact CD2-CG2 4.3Å; L167-F237 HydrophobicContact CD1-CE1 4.15Å; L167-F237 HydrophobicContact CD1-CZ 3.89Å; L167-T291 CarbonylContact C-O 3.51Å; L167-T291 WeakPolarHBondContact CA-O 3.38Å; L167-T291 PolarHBondContact N-O 3.47Å; L167-A292 WeakPolarHBondContact O-CB 3.37Å; L167-A292 PolarHBondContact O-N 3.47Å
168	R	93.1	Very high	94.3	Very high	24 Å²	24	25.1 Å²	25.1	9%	0.091	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-49	-47.4	168.3	-72.6	178.7	174	-160.3	-4.7	110.9	C170 K171 E174 V177 T291 E349 V350	R168-C170 PolarHBondContact O-N 2.92Å; R168-C170 VanDerWaalsContact O-N 3.09Å; R168-K171 PolarHBondContact O-N 3.01Å; R168-E174 HydrophobicContact CB-CB 4.27Å; R168-E174 VanDerWaalsContact CD-O 3.25Å; R168-E174 WeakPolarHBondContact CD-O 3.4Å; R168-E174 HydrophobicContact CG-CB 4.43Å; R168-E174 WeakPolarHBondContact CG-O 3.11Å; R168-V177 HydrophobicContact CB-CG1 4.16Å; R168-V177 HydrophobicContact CG-CG1 4.34Å; R168-T291 HydrophobicContact CB-CG2 4.41Å; R168-T291 HydrophobicContact CG-CG2 3.24Å; R168-E349 IonicContact CZ-OE1 3.74Å; R168-E349 IonicContact CZ-OE2 3.12Å; R168-E349 IonicContact NE-OE1 3.98Å; R168-E349 PolarHBondContact NE-OE1 2.04Å; R168-E349 IonicContact NE-OE2 2.81Å; R168-E349 IonicContact NH2-OE1 2.91Å; R168-E349 PolarHBondContact NH2-OE1 3.23Å; R168-E349 IonicContact NH2-OE2 2.68Å; R168-E349 PolarHBondContact NH2-OE2 2.91Å; R168-E349 VanDerWaalsContact NH2-OE2 3.15Å; R168-V350 PolarHBondContact NH2-O 3.19Å; R168-V350 VanDerWaalsContact NH2-O 3.12Å
169	D	95.4	Very high	93.9	Very high	23 Å²	23	26.4 Å²	26.4	12%	0.123	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-64.3	-16.3	-178	-56.1	-108.3	0	0	0	114.1	L167 S176 V177 F178 F237 R238	L167-D169 PolarHBondContact O-N 3.01Å; D169-S176 VanDerWaalsContact OD1-CB 3.22Å; D169-S176 WeakPolarHBondContact OD1-CB 3.29Å; D169-S176 PolarHBondContact OD1-OG 3.33Å; D169-S176 VanDerWaalsContact OD2-CA 3.3Å; D169-S176 WeakPolarHBondContact OD2-CA 3.34Å; D169-S176 PolarHBondContact OD2-OG 3.01Å; D169-V177 WeakPolarHBondContact OD2-CG2 3.24Å; D169-V177 PolarHBondContact OD2-N 3.39Å; D169-F178 WeakPolarHBondContact OD1-CD2 3.42Å; D169-F237 HydrophobicContact CB-CD1 3.58Å; D169-F237 HydrophobicContact CB-CE1 3.55Å; D169-R238 WeakPolarHBondContact O-CB 3.29Å
170	C	96.5	Very high	93.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-75.8	-24.2	175	-66	0	0	0	0	113	L167 R168 R238 C242 M255 Y257	L167-C170 WeakPolarHBondContact O-CB 3.43Å; L167-C170 PolarHBondContact O-N 3.42Å; R168-C170 PolarHBondContact O-N 2.92Å; R168-C170 VanDerWaalsContact O-N 3.09Å; C170-R238 WeakPolarHBondContact O-CD 3.42Å; C170-R238 PolarHBondContact O-NE 3.46Å; C170-C242 WeakPolarHBondContact CA-SG 3.41Å; C170-C242 HydrophobicContact CB-CB 3.6Å; C170-C242 WeakPolarHBondContact CB-SG 3.43Å; C170-C242 WeakPolarHBondContact SG-CB 3.32Å; C170-C242 CovalentContact SG-SG 2.04Å; C170-C242 PolarHBondContact SG-SG 2.92Å; C170-M255 HydrophobicContact CB-CE 4.29Å; C170-Y257 WeakPolarHBondContact CB-OH 3.38Å
171	K	94.5	Very high	93	Very high	58 Å²	58	30.1 Å²	30.1	25%	0.252	20%	0.203	S	C	.	.	S	Bend	trans	-115.6	113.9	179.3	-172.1	177	165.3	83.1	0	110.1	R168 G173 E174 Y257 A292	R168-K171 PolarHBondContact O-N 3.01Å; K171-G173 PolarHBondContact O-N 3.26Å; K171-E174 HydrophobicContact CB-CG 3.74Å; K171-E174 HydrophobicContact CD-CG 3.64Å; K171-E174 WeakPolarHBondContact CE-OE1 3.39Å; K171-E174 HydrophobicContact CG-CG 3.74Å; K171-E174 PolarHBondContact O-N 3.06Å; K171-Y257 HydrophobicContact CB-CD2 4.35Å; K171-Y257 HydrophobicContact CB-CE2 3.58Å; K171-Y257 HydrophobicContact CD-CD2 4.48Å; K171-Y257 HydrophobicContact CD-CE2 4.38Å; K171-Y257 HydrophobicContact CG-CD2 4.25Å; K171-Y257 HydrophobicContact CG-CE2 3.97Å; K171-A292 HydrophobicContact CB-CB 3.48Å; K171-A292 VanDerWaalsContact CB-CB 3.48Å; K171-A292 HydrophobicContact CD-CB 3.96Å; K171-A292 HydrophobicContact CG-CB 4.36Å
172	P	92.4	Very high	92.8	Very high	90 Å²	90	31.1 Å²	31.1	58%	0.584	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	132.1	177.9	-24.3	34.2	0	0	0	111.6
173	G	87.8	Confident	92.6	Very high	81 Å²	81	36.2 Å²	36.2	84%	0.835	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	101	-12.6	178.2	0	0	0	0	0	115.5	K171 G175	K171-G173 PolarHBondContact O-N 3.26Å; G173-G175 VanDerWaalsContact C-N 3.33Å; G173-G175 PolarHBondContact O-N 3.3Å
174	E	85.8	Confident	92.4	Very high	55 Å²	55	43.9 Å²	43.9	26%	0.257	26%	0.258	S	S	.	.	S	Bend	trans	-90	7	-175.8	-56.4	-59.2	151.6	0	0	114.2	R168 K171 A292	R168-E174 HydrophobicContact CB-CB 4.27Å; R168-E174 VanDerWaalsContact CD-O 3.25Å; R168-E174 WeakPolarHBondContact CD-O 3.4Å; R168-E174 HydrophobicContact CG-CB 4.43Å; R168-E174 WeakPolarHBondContact CG-O 3.11Å; K171-E174 HydrophobicContact CB-CG 3.74Å; K171-E174 HydrophobicContact CD-CG 3.64Å; K171-E174 WeakPolarHBondContact CE-OE1 3.39Å; K171-E174 HydrophobicContact CG-CG 3.74Å; K171-E174 PolarHBondContact O-N 3.06Å; E174-A292 HydrophobicContact CB-CB 4.22Å; E174-A292 HydrophobicContact CG-CB 3.87Å
175	G	86.1	Confident	92.3	Very high	49 Å²	49	49.9 Å²	49.9	51%	0.505	29%	0.289	S	S	.	.			trans	83.5	-158.8	-176	0	0	0	0	0	113.1	G173	G173-G175 VanDerWaalsContact C-N 3.33Å; G173-G175 PolarHBondContact O-N 3.3Å
176	S	87.6	Confident	92.3	Very high	18 Å²	18	50.3 Å²	50.3	13%	0.126	29%	0.292	C	S	.	.			trans	-141.9	134.1	-175.1	-179.1	0	0	0	0	112.8	D169 F178 T179 F182	D169-S176 VanDerWaalsContact OD1-CB 3.22Å; D169-S176 WeakPolarHBondContact OD1-CB 3.29Å; D169-S176 PolarHBondContact OD1-OG 3.33Å; D169-S176 VanDerWaalsContact OD2-CA 3.3Å; D169-S176 WeakPolarHBondContact OD2-CA 3.34Å; D169-S176 PolarHBondContact OD2-OG 3.01Å; S176-F178 PolarHBondContact O-N 3.12Å; S176-F178 PolarHBondContact OG-N 3.09Å; S176-F178 VanDerWaalsContact OG-N 3.12Å; S176-T179 PolarHBondContact O-OG1 3.33Å; S176-F182 VanDerWaalsContact OG-CE2 3.29Å; S176-F182 WeakPolarHBondContact OG-CE2 3.13Å
177	V	90.1	Very high	92.3	Very high	40 Å²	40	54.8 Å²	54.8	24%	0.242	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.1	172	-53.6	0	0	0	0	112.1	L167 R168 D169 T179	L167-V177 HydrophobicContact CB-CG1 4.48Å; L167-V177 HydrophobicContact CD1-CG2 4.38Å; L167-V177 HydrophobicContact CD2-CG1 4.17Å; L167-V177 HydrophobicContact CD2-CG2 4.3Å; R168-V177 HydrophobicContact CB-CG1 4.16Å; R168-V177 HydrophobicContact CG-CG1 4.34Å; D169-V177 WeakPolarHBondContact OD2-CG2 3.24Å; D169-V177 PolarHBondContact OD2-N 3.39Å; V177-T179 VanDerWaalsContact C-N 3.32Å; V177-T179 PolarHBondContact O-N 3.22Å
178	F	92.5	Very high	92.4	Very high	26 Å²	26	57.7 Å²	57.7	11%	0.114	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.9	-179.1	-60.8	-80.2	0	0	0	113.7	L103 D169 S176 T180 G181 F182 F233 F237	L103-F178 HydrophobicContact CB-CE1 4.16Å; L103-F178 HydrophobicContact CB-CZ 4.09Å; L103-F178 HydrophobicContact CD1-CD1 4.49Å; L103-F178 HydrophobicContact CD1-CE1 3.64Å; L103-F178 HydrophobicContact CD1-CZ 4.15Å; L103-F178 HydrophobicContact CG-CE1 4.44Å; D169-F178 WeakPolarHBondContact OD1-CD2 3.42Å; S176-F178 PolarHBondContact O-N 3.12Å; S176-F178 PolarHBondContact OG-N 3.09Å; S176-F178 VanDerWaalsContact OG-N 3.12Å; F178-T180 VanDerWaalsContact C-N 3.29Å; F178-T180 PolarHBondContact O-N 2.94Å; F178-T180 VanDerWaalsContact O-N 3.15Å; F178-G181 CarbonylContact O-C 3.36Å; F178-G181 VanDerWaalsContact O-CA 3.31Å; F178-G181 WeakPolarHBondContact O-CA 3.38Å; F178-G181 PolarHBondContact O-N 3.32Å; F178-F182 HydrophobicContact CB-CD1 4.08Å; F178-F182 HydrophobicContact CB-CD2 4.31Å; F178-F182 HydrophobicContact CB-CE1 3.62Å; F178-F182 HydrophobicContact CB-CE2 3.89Å; F178-F182 HydrophobicContact CB-CG 4.41Å; F178-F182 HydrophobicContact CB-CZ 3.53Å; F178-F182 HydrophobicContact CG-CE1 4.48Å; F178-F182 HydrophobicContact CG-CZ 4.37Å; F178-F182 WeakPolarHBondContact O-CG 3.3Å; F178-F182 PolarHBondContact O-N 3.26Å; F178-F233 HydrophobicContact CB-CE1 4.43Å; F178-F233 AromaticContact CD1-CZ 3.97Å; F178-F233 HydrophobicContact CD1-CZ 3.97Å; F178-F233 AromaticContact CD2-CE1 3.82Å; F178-F233 HydrophobicContact CD2-CE1 3.82Å; F178-F233 AromaticContact CD2-CZ 3.7Å; F178-F233 HydrophobicContact CD2-CZ 3.7Å; F178-F233 HydrophobicContact CE1-CZ 4.05Å; F178-F233 HydrophobicContact CE2-CE1 4.27Å; F178-F233 AromaticContact CE2-CZ 3.81Å; F178-F233 HydrophobicContact CE2-CZ 3.81Å; F178-F233 HydrophobicContact CG-CE1 4.04Å; F178-F233 AromaticContact CG-CZ 3.79Å; F178-F233 HydrophobicContact CG-CZ 3.79Å; F178-F233 AromaticContact CZ-CZ 3.98Å; F178-F233 HydrophobicContact CZ-CZ 3.98Å; F178-F237 HydrophobicContact CE1-CE2 4.35Å; F178-F237 HydrophobicContact CE2-CD1 4.15Å; F178-F237 AromaticContact CE2-CD2 3.91Å; F178-F237 HydrophobicContact CE2-CD2 3.91Å; F178-F237 AromaticContact CE2-CE1 3.69Å; F178-F237 HydrophobicContact CE2-CE1 3.69Å; F178-F237 AromaticContact CE2-CE2 3.4Å; F178-F237 HydrophobicContact CE2-CE2 3.4Å; F178-F237 VanDerWaalsContact CE2-CE2 3.4Å; F178-F237 HydrophobicContact CE2-CG 4.27Å; F178-F237 AromaticContact CE2-CZ 3.28Å; F178-F237 HydrophobicContact CE2-CZ 3.28Å; F178-F237 HydrophobicContact CZ-CD2 4.04Å; F178-F237 HydrophobicContact CZ-CE1 4.27Å; F178-F237 AromaticContact CZ-CE2 3.25Å; F178-F237 HydrophobicContact CZ-CE2 3.25Å; F178-F237 AromaticContact CZ-CZ 3.41Å; F178-F237 HydrophobicContact CZ-CZ 3.41Å; F178-F237 VanDerWaalsContact CZ-CZ 3.41Å
179	T	90.8	Very high	92.6	Very high	59 Å²	59	58.4 Å²	58.4	36%	0.362	33%	0.334	S	S	.	.	H	α-helix	trans	-51	-43.8	-174.6	-62.7	0	0	0	0	113.3	S176 V177 G181 F182 K183	S176-T179 PolarHBondContact O-OG1 3.33Å; V177-T179 VanDerWaalsContact C-N 3.32Å; V177-T179 PolarHBondContact O-N 3.22Å; T179-G181 VanDerWaalsContact C-N 3.34Å; T179-G181 PolarHBondContact O-N 3Å; T179-F182 PolarHBondContact O-N 2.72Å; T179-K183 HydrophobicContact CG2-CD 4.46Å; T179-K183 WeakPolarHBondContact O-CG 3.44Å; T179-K183 PolarHBondContact O-N 2.71Å
180	T	88.1	Confident	92.7	Very high	49 Å²	49	59.7 Å²	59.7	30%	0.301	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-39.1	176.6	-61.4	0	0	0	0	111.9	F178 R184	F178-T180 VanDerWaalsContact C-N 3.29Å; F178-T180 PolarHBondContact O-N 2.94Å; F178-T180 VanDerWaalsContact O-N 3.15Å; T180-R184 WeakPolarHBondContact O-CG 3.47Å; T180-R184 PolarHBondContact O-N 3.24Å
181	G	90.4	Very high	92.8	Very high	30 Å²	30	65.9 Å²	65.9	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-48.2	173.6	0	0	0	0	0	112	F178 T179 K183 R184 L185	F178-G181 CarbonylContact O-C 3.36Å; F178-G181 VanDerWaalsContact O-CA 3.31Å; F178-G181 WeakPolarHBondContact O-CA 3.38Å; F178-G181 PolarHBondContact O-N 3.32Å; T179-G181 VanDerWaalsContact C-N 3.34Å; T179-G181 PolarHBondContact O-N 3Å; G181-K183 VanDerWaalsContact C-N 3.35Å; G181-K183 PolarHBondContact O-N 2.88Å; G181-R184 PolarHBondContact O-N 3.36Å; G181-R184 VanDerWaalsContact O-N 3.15Å; G181-L185 WeakPolarHBondContact O-CB 3.49Å; G181-L185 WeakPolarHBondContact O-CG 3.41Å; G181-L185 PolarHBondContact O-N 3.11Å
182	F	94.9	Very high	93	Very high	22 Å²	22	68 Å²	68	10%	0.096	38%	0.383	C	S	.	.	H	α-helix	trans	-58.4	-43.8	177.7	-62.3	-23.3	0	0	0	112.4	S176 F178 T179 R184 V186 F187 F230 F233 L234	S176-F182 VanDerWaalsContact OG-CE2 3.29Å; S176-F182 WeakPolarHBondContact OG-CE2 3.13Å; F178-F182 HydrophobicContact CB-CD1 4.08Å; F178-F182 HydrophobicContact CB-CD2 4.31Å; F178-F182 HydrophobicContact CB-CE1 3.62Å; F178-F182 HydrophobicContact CB-CE2 3.89Å; F178-F182 HydrophobicContact CB-CG 4.41Å; F178-F182 HydrophobicContact CB-CZ 3.53Å; F178-F182 HydrophobicContact CG-CE1 4.48Å; F178-F182 HydrophobicContact CG-CZ 4.37Å; F178-F182 WeakPolarHBondContact O-CG 3.3Å; F178-F182 PolarHBondContact O-N 3.26Å; T179-F182 PolarHBondContact O-N 2.72Å; F182-R184 VanDerWaalsContact C-N 3.33Å; F182-R184 PolarHBondContact O-N 3.07Å; F182-V186 WeakPolarHBondContact O-CA 3.18Å; F182-V186 VanDerWaalsContact O-CB 3.31Å; F182-V186 WeakPolarHBondContact O-CB 3.17Å; F182-V186 PolarHBondContact O-N 3.3Å; F182-F187 HydrophobicContact CB-CD2 4.37Å; F182-F187 HydrophobicContact CB-CE2 3.87Å; F182-F187 HydrophobicContact CB-CZ 4.11Å; F182-F187 PolarHBondContact O-N 3.27Å; F182-F230 HydrophobicContact CB-CE2 4.28Å; F182-F230 HydrophobicContact CD1-CD2 4.07Å; F182-F230 AromaticContact CD1-CE2 3.68Å; F182-F230 HydrophobicContact CD1-CE2 3.68Å; F182-F230 AromaticContact CD2-CE2 3.91Å; F182-F230 HydrophobicContact CD2-CE2 3.91Å; F182-F230 HydrophobicContact CE1-CD2 4.19Å; F182-F230 AromaticContact CE1-CE2 3.85Å; F182-F230 HydrophobicContact CE1-CE2 3.85Å; F182-F230 HydrophobicContact CE2-CE2 4.06Å; F182-F230 HydrophobicContact CG-CD2 4.48Å; F182-F230 AromaticContact CG-CE2 3.71Å; F182-F230 HydrophobicContact CG-CE2 3.71Å; F182-F230 HydrophobicContact CZ-CE2 4.02Å; F182-F233 AromaticContact CE1-CD1 3.58Å; F182-F233 HydrophobicContact CE1-CD1 3.58Å; F182-F233 AromaticContact CE1-CE1 3.58Å; F182-F233 HydrophobicContact CE1-CE1 3.58Å; F182-F233 HydrophobicContact CE1-CG 4.43Å; F182-F233 HydrophobicContact CE1-CZ 4.39Å; F182-F233 AromaticContact CZ-CD1 3.64Å; F182-F233 HydrophobicContact CZ-CD1 3.64Å; F182-F233 AromaticContact CZ-CE1 3.49Å; F182-F233 HydrophobicContact CZ-CE1 3.49Å; F182-F233 VanDerWaalsContact CZ-CE1 3.49Å; F182-L234 HydrophobicContact CE2-CD2 4Å; F182-L234 HydrophobicContact CZ-CD2 3.86Å
183	K	93.5	Very high	93.2	Very high	114 Å²	114	64.3 Å²	64.3	50%	0.496	36%	0.358	S	S	.	.	I	π-helix	trans	-56.8	-47	175.5	-74.9	175.2	-178.5	178.1	0	111.7	T179 G181 F187 I188	T179-K183 HydrophobicContact CG2-CD 4.46Å; T179-K183 WeakPolarHBondContact O-CG 3.44Å; T179-K183 PolarHBondContact O-N 2.71Å; G181-K183 VanDerWaalsContact C-N 3.35Å; G181-K183 PolarHBondContact O-N 2.88Å; K183-F187 HydrophobicContact CG-CD2 4.15Å; K183-I188 WeakPolarHBondContact O-CB 3.48Å; K183-I188 WeakPolarHBondContact O-CD1 3.3Å; K183-I188 VanDerWaalsContact O-CG1 3.22Å; K183-I188 WeakPolarHBondContact O-CG1 3.31Å; K183-I188 PolarHBondContact O-N 3.38Å
184	R	94	Very high	93.7	Very high	164 Å²	164	62 Å²	62	62%	0.619	33%	0.334	S	S	*	.	I	π-helix	trans	-78.5	-39.8	-174.2	-68.3	-68.7	-177.6	176.5	0.7	113.7	T180 G181 F182 P189	T180-R184 WeakPolarHBondContact O-CG 3.47Å; T180-R184 PolarHBondContact O-N 3.24Å; G181-R184 PolarHBondContact O-N 3.36Å; G181-R184 VanDerWaalsContact O-N 3.15Å; F182-R184 VanDerWaalsContact C-N 3.33Å; F182-R184 PolarHBondContact O-N 3.07Å; R184-P189 VanDerWaalsContact O-CD 3.31Å; R184-P189 WeakPolarHBondContact O-CD 3.33Å; R184-P189 WeakPolarHBondContact O-CG 3.42Å
185	L	95.4	Very high	94.3	Very high	133 Å²	133	63.1 Å²	63.1	70%	0.696	34%	0.344	S	S	*	.	I	π-helix	trans	-95.9	-21.4	-171.3	-60.3	177	0	0	0	113.2	G181	G181-L185 WeakPolarHBondContact O-CB 3.49Å; G181-L185 WeakPolarHBondContact O-CG 3.41Å; G181-L185 PolarHBondContact O-N 3.11Å
186	V	96.9	Very high	94.9	Very high	14 Å²	14	62.8 Å²	62.8	9%	0.085	33%	0.332	C	S	.	.	I	π-helix	trans	-121.8	-64.9	-174.8	-174.8	0	0	0	0	110.7	F182 P189 L190 I226 F230	F182-V186 WeakPolarHBondContact O-CA 3.18Å; F182-V186 VanDerWaalsContact O-CB 3.31Å; F182-V186 WeakPolarHBondContact O-CB 3.17Å; F182-V186 PolarHBondContact O-N 3.3Å; V186-P189 WeakPolarHBondContact O-CD 3.29Å; V186-L190 WeakPolarHBondContact O-CB 3.29Å; V186-L190 PolarHBondContact O-N 3.21Å; V186-I226 HydrophobicContact CB-CG2 4.37Å; V186-I226 HydrophobicContact CG1-CG2 3.9Å; V186-F230 HydrophobicContact CB-CD2 4.38Å; V186-F230 HydrophobicContact CB-CG 4.44Å; V186-F230 HydrophobicContact CG1-CB 3.8Å; V186-F230 HydrophobicContact CG1-CD1 4.01Å; V186-F230 HydrophobicContact CG1-CD2 4.11Å; V186-F230 HydrophobicContact CG1-CG 3.7Å; V186-F230 HydrophobicContact CG2-CB 4.02Å; V186-F230 HydrophobicContact CG2-CD2 3.85Å; V186-F230 HydrophobicContact CG2-CG 4.11Å
187	F	97.3	Very high	95.3	Very high	94 Å²	94	63.8 Å²	63.8	41%	0.412	34%	0.336	S	S	.	.	I	π-helix	trans	-69.3	-45.7	-166.5	-55.8	-31.5	0	0	0	113.5	F182 K183 L190 Q191 F230	F182-F187 HydrophobicContact CB-CD2 4.37Å; F182-F187 HydrophobicContact CB-CE2 3.87Å; F182-F187 HydrophobicContact CB-CZ 4.11Å; F182-F187 PolarHBondContact O-N 3.27Å; K183-F187 HydrophobicContact CG-CD2 4.15Å; F187-L190 PolarHBondContact O-N 2.8Å; F187-Q191 VanDerWaalsContact O-CB 3.25Å; F187-Q191 WeakPolarHBondContact O-CB 3.49Å; F187-Q191 PolarHBondContact O-N 2.89Å; F187-F230 AromaticContact CE1-CE1 3.81Å; F187-F230 HydrophobicContact CE1-CE1 3.81Å; F187-F230 HydrophobicContact CE1-CE2 4.38Å; F187-F230 AromaticContact CE1-CZ 3.7Å; F187-F230 HydrophobicContact CE1-CZ 3.7Å; F187-F230 HydrophobicContact CZ-CE1 4.25Å; F187-F230 HydrophobicContact CZ-CE2 4.36Å; F187-F230 AromaticContact CZ-CZ 3.71Å; F187-F230 HydrophobicContact CZ-CZ 3.71Å
188	I	97.3	Very high	95.7	Very high	68 Å²	68	67.8 Å²	67.8	35%	0.349	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-51	177.3	-70.4	165.5	0	0	0	111.1	K183 L190 Q191 I192	K183-I188 WeakPolarHBondContact O-CB 3.48Å; K183-I188 WeakPolarHBondContact O-CD1 3.3Å; K183-I188 VanDerWaalsContact O-CG1 3.22Å; K183-I188 WeakPolarHBondContact O-CG1 3.31Å; K183-I188 PolarHBondContact O-N 3.38Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 3.07Å; I188-Q191 PolarHBondContact O-N 2.79Å; I188-I192 HydrophobicContact CG2-CD1 3.89Å; I188-I192 WeakPolarHBondContact O-CG1 3.29Å; I188-I192 PolarHBondContact O-N 3.38Å
189	P	97.8	Very high	96	Very high	38 Å²	38	69.9 Å²	69.9	25%	0.247	37%	0.371	C	S	.	.	H	α-helix	trans	-56.6	-44.4	174.9	-28.3	36.2	0	0	0	113.3	R184 V186 Q191 I192 I193 I226	R184-P189 VanDerWaalsContact O-CD 3.31Å; R184-P189 WeakPolarHBondContact O-CD 3.33Å; R184-P189 WeakPolarHBondContact O-CG 3.42Å; V186-P189 WeakPolarHBondContact O-CD 3.29Å; P189-Q191 VanDerWaalsContact C-N 3.33Å; P189-Q191 PolarHBondContact O-N 3.11Å; P189-I192 PolarHBondContact O-N 2.92Å; P189-I193 VanDerWaalsContact O-CG1 3.27Å; P189-I193 WeakPolarHBondContact O-CG1 3.42Å; P189-I193 PolarHBondContact O-N 2.7Å; P189-I226 HydrophobicContact CB-CD1 4.16Å
190	L	97.6	Very high	96.3	Very high	51 Å²	51	70 Å²	70	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-65.8	-36.6	179.8	-164.1	66.9	0	0	0	111.8	V186 F187 I188 I193 G194 A223	V186-L190 WeakPolarHBondContact O-CB 3.29Å; V186-L190 PolarHBondContact O-N 3.21Å; F187-L190 PolarHBondContact O-N 2.8Å; I188-L190 VanDerWaalsContact C-N 3.34Å; I188-L190 PolarHBondContact O-N 3.07Å; L190-I193 PolarHBondContact O-N 3.43Å; L190-G194 PolarHBondContact O-N 3.07Å; L190-A223 HydrophobicContact CD1-CB 3.66Å
191	Q	97.9	Very high	96.7	Very high	131 Å²	131	69.6 Å²	69.6	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-65.4	-43.9	173.3	-174.8	179.6	-0.3	0	0	111.6	F187 I188 P189 G194 V195	F187-Q191 VanDerWaalsContact O-CB 3.25Å; F187-Q191 WeakPolarHBondContact O-CB 3.49Å; F187-Q191 PolarHBondContact O-N 2.89Å; I188-Q191 PolarHBondContact O-N 2.79Å; P189-Q191 VanDerWaalsContact C-N 3.33Å; P189-Q191 PolarHBondContact O-N 3.11Å; Q191-G194 PolarHBondContact O-N 2.98Å; Q191-V195 HydrophobicContact CG-CG2 4.44Å; Q191-V195 WeakPolarHBondContact O-CB 3.39Å; Q191-V195 VanDerWaalsContact O-CG2 3.32Å; Q191-V195 WeakPolarHBondContact O-CG2 3.16Å; Q191-V195 PolarHBondContact O-N 3.25Å
192	I	98.2	Very high	97	Very high	102 Å²	102	70.4 Å²	70.4	52%	0.523	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-46.9	175.9	-68.7	167.2	0	0	0	110.2	I188 P189 G194 V195 T196	I188-I192 HydrophobicContact CG2-CD1 3.89Å; I188-I192 WeakPolarHBondContact O-CG1 3.29Å; I188-I192 PolarHBondContact O-N 3.38Å; P189-I192 PolarHBondContact O-N 2.92Å; I192-G194 PolarHBondContact O-N 3.4Å; I192-V195 PolarHBondContact O-N 2.85Å; I192-T196 VanDerWaalsContact O-CB 3.29Å; I192-T196 WeakPolarHBondContact O-CB 3.19Å; I192-T196 PolarHBondContact O-N 3.41Å; I192-T196 PolarHBondContact O-OG1 2.94Å
193	I	98	Very high	97.1	Very high	13 Å²	13	71.9 Å²	71.9	7%	0.067	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-46.4	177.5	-66.5	162.5	0	0	0	110.4	P189 L190 T196 L197 L219 L222 A223 I226	P189-I193 VanDerWaalsContact O-CG1 3.27Å; P189-I193 WeakPolarHBondContact O-CG1 3.42Å; P189-I193 PolarHBondContact O-N 2.7Å; L190-I193 PolarHBondContact O-N 3.43Å; I193-T196 PolarHBondContact O-N 3.45Å; I193-L197 VanDerWaalsContact O-CB 3.32Å; I193-L197 WeakPolarHBondContact O-CB 3.49Å; I193-L197 PolarHBondContact O-N 2.71Å; I193-L219 HydrophobicContact CG2-CB 4.13Å; I193-L219 HydrophobicContact CG2-CD2 4.28Å; I193-L219 WeakPolarHBondContact CG2-O 3.36Å; I193-L222 HydrophobicContact CD1-CB 4.32Å; I193-L222 HydrophobicContact CD1-CD2 3.71Å; I193-L222 HydrophobicContact CD1-CG 3.73Å; I193-L222 HydrophobicContact CG1-CD2 4.3Å; I193-A223 HydrophobicContact CG2-CB 4Å; I193-I226 HydrophobicContact CD1-CD1 3.75Å
194	G	97.6	Very high	97.2	Very high	31 Å²	31	69.3 Å²	69.3	32%	0.32	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-48.4	179	0	0	0	0	0	113	L190 Q191 I192 L197 L198	L190-G194 PolarHBondContact O-N 3.07Å; Q191-G194 PolarHBondContact O-N 2.98Å; I192-G194 PolarHBondContact O-N 3.4Å; G194-L197 PolarHBondContact O-N 3.41Å; G194-L198 VanDerWaalsContact O-CG 3.32Å; G194-L198 WeakPolarHBondContact O-CG 3.22Å; G194-L198 PolarHBondContact O-N 3.48Å
195	V	98.2	Very high	97.2	Very high	79 Å²	79	67 Å²	67	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-45.9	176.2	171.8	0	0	0	0	110.5	Q191 I192 L197 L198 T199	Q191-V195 HydrophobicContact CG-CG2 4.44Å; Q191-V195 WeakPolarHBondContact O-CB 3.39Å; Q191-V195 VanDerWaalsContact O-CG2 3.32Å; Q191-V195 WeakPolarHBondContact O-CG2 3.16Å; Q191-V195 PolarHBondContact O-N 3.25Å; I192-V195 PolarHBondContact O-N 2.85Å; V195-L197 VanDerWaalsContact C-N 3.33Å; V195-L197 PolarHBondContact O-N 3.39Å; V195-L198 PolarHBondContact O-N 2.74Å; V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 3.28Å; V195-T199 PolarHBondContact O-OG1 2.97Å; V195-T199 VanDerWaalsContact O-OG1 3.04Å
196	T	98.1	Very high	97.3	Very high	42 Å²	42	66.6 Å²	66.6	26%	0.258	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-44.6	178.5	-57	0	0	0	0	111.5	I192 I193 T199 F200 L219	I192-T196 VanDerWaalsContact O-CB 3.29Å; I192-T196 WeakPolarHBondContact O-CB 3.19Å; I192-T196 PolarHBondContact O-N 3.41Å; I192-T196 PolarHBondContact O-OG1 2.94Å; I193-T196 PolarHBondContact O-N 3.45Å; T196-T199 PolarHBondContact O-N 2.96Å; T196-F200 HydrophobicContact CG2-CD2 3.89Å; T196-F200 HydrophobicContact CG2-CE1 4.33Å; T196-F200 HydrophobicContact CG2-CE2 3.57Å; T196-F200 HydrophobicContact CG2-CG 4.4Å; T196-F200 HydrophobicContact CG2-CZ 3.82Å; T196-F200 WeakPolarHBondContact O-CB 2.99Å; T196-F200 WeakPolarHBondContact O-CG 3Å; T196-F200 PolarHBondContact O-N 3.4Å; T196-L219 HydrophobicContact CG2-CD1 4.02Å
197	L	97.7	Very high	97.1	Very high	39 Å²	39	69 Å²	69	20%	0.204	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-45.7	179.4	-163.4	160.1	0	0	0	111.3	I193 G194 V195 F200 A201 F216 L219 L220	I193-L197 VanDerWaalsContact O-CB 3.32Å; I193-L197 WeakPolarHBondContact O-CB 3.49Å; I193-L197 PolarHBondContact O-N 2.71Å; G194-L197 PolarHBondContact O-N 3.41Å; V195-L197 VanDerWaalsContact C-N 3.33Å; V195-L197 PolarHBondContact O-N 3.39Å; L197-F200 PolarHBondContact O-N 3.21Å; L197-A201 VanDerWaalsContact O-CB 3.32Å; L197-A201 WeakPolarHBondContact O-CB 3.44Å; L197-A201 PolarHBondContact O-N 2.94Å; L197-F216 HydrophobicContact CD2-CD1 4.23Å; L197-F216 HydrophobicContact CD2-CE1 4.42Å; L197-F216 HydrophobicContact CG-CD1 4.14Å; L197-L219 HydrophobicContact CB-CD1 4.48Å; L197-L219 HydrophobicContact CD1-CB 4.37Å; L197-L220 HydrophobicContact CD1-CD2 3.55Å; L197-L220 HydrophobicContact CD1-CG 3.76Å
198	L	97.6	Very high	97	Very high	124 Å²	124	70.5 Å²	70.5	65%	0.649	42%	0.417	S	S	*	.	H	α-helix	trans	-63.4	-44.2	177	-70.4	173	0	0	0	112	G194 V195 A201 A202	G194-L198 VanDerWaalsContact O-CG 3.32Å; G194-L198 WeakPolarHBondContact O-CG 3.22Å; G194-L198 PolarHBondContact O-N 3.48Å; V195-L198 PolarHBondContact O-N 2.74Å; L198-A201 PolarHBondContact O-N 2.97Å; L198-A202 WeakPolarHBondContact O-CB 3.45Å; L198-A202 PolarHBondContact O-N 3Å
199	T	97.9	Very high	96.9	Very high	71 Å²	71	71.2 Å²	71.2	44%	0.436	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-45.2	177.1	-60.9	0	0	0	0	111.4	V195 T196 A201 A202 L203	V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 3.28Å; V195-T199 PolarHBondContact O-OG1 2.97Å; V195-T199 VanDerWaalsContact O-OG1 3.04Å; T196-T199 PolarHBondContact O-N 2.96Å; T199-A201 PolarHBondContact O-N 2.92Å; T199-A202 PolarHBondContact O-N 3.11Å; T199-L203 HydrophobicContact CG2-CD1 4.02Å; T199-L203 HydrophobicContact CG2-CG 4.36Å; T199-L203 WeakPolarHBondContact O-CG 3.29Å; T199-L203 PolarHBondContact O-N 2.85Å
200	F	97.6	Very high	96.7	Very high	60 Å²	60	80.6 Å²	80.6	26%	0.263	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-38.8	176.6	-75.8	-5.5	0	0	0	112.7	T196 L197 N204 V211 I215 F216 L219	T196-F200 HydrophobicContact CG2-CD2 3.89Å; T196-F200 HydrophobicContact CG2-CE1 4.33Å; T196-F200 HydrophobicContact CG2-CE2 3.57Å; T196-F200 HydrophobicContact CG2-CG 4.4Å; T196-F200 HydrophobicContact CG2-CZ 3.82Å; T196-F200 WeakPolarHBondContact O-CB 2.99Å; T196-F200 WeakPolarHBondContact O-CG 3Å; T196-F200 PolarHBondContact O-N 3.4Å; L197-F200 PolarHBondContact O-N 3.21Å; F200-N204 VanDerWaalsContact O-CB 3.25Å; F200-N204 WeakPolarHBondContact O-CB 3.39Å; F200-N204 PolarHBondContact O-N 3.41Å; F200-V211 HydrophobicContact CB-CG1 4.3Å; F200-V211 HydrophobicContact CB-CG2 4.08Å; F200-V211 HydrophobicContact CD2-CG1 4.18Å; F200-V211 HydrophobicContact CG-CG1 4.4Å; F200-V211 HydrophobicContact CG-CG2 4.23Å; F200-I215 HydrophobicContact CD2-CG2 3.93Å; F200-I215 HydrophobicContact CE2-CG2 3.91Å; F200-F216 HydrophobicContact CB-CE1 4.22Å; F200-F216 HydrophobicContact CB-CZ 4.14Å; F200-L219 HydrophobicContact CD2-CD1 4.09Å; F200-L219 HydrophobicContact CE2-CD1 4.36Å
201	A	96	Very high	96.6	Very high	41 Å²	41	78.8 Å²	78.8	34%	0.339	44%	0.443	S	S	.	.	H	α-helix	trans	-61.4	-45.4	173.7	0	0	0	0	0	111.3	L197 L198 T199 N204 C205 F216	L197-A201 VanDerWaalsContact O-CB 3.32Å; L197-A201 WeakPolarHBondContact O-CB 3.44Å; L197-A201 PolarHBondContact O-N 2.94Å; L198-A201 PolarHBondContact O-N 2.97Å; T199-A201 PolarHBondContact O-N 2.92Å; A201-N204 PolarHBondContact O-N 3.12Å; A201-C205 VanDerWaalsContact O-CB 3.24Å; A201-C205 WeakPolarHBondContact O-CB 3.2Å; A201-C205 PolarHBondContact O-N 2.86Å; A201-F216 HydrophobicContact CB-CE1 4.04Å; A201-F216 HydrophobicContact CB-CZ 4.39Å
202	A	97.3	Very high	96.5	Very high	48 Å²	48	76.2 Å²	76.2	40%	0.397	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-48.4	177.4	0	0	0	0	0	112.1	L198 T199 N204 C205 L206	L198-A202 WeakPolarHBondContact O-CB 3.45Å; L198-A202 PolarHBondContact O-N 3Å; T199-A202 PolarHBondContact O-N 3.11Å; A202-N204 VanDerWaalsContact C-N 3.32Å; A202-N204 PolarHBondContact O-N 3.21Å; A202-C205 PolarHBondContact O-N 3.39Å; A202-L206 WeakPolarHBondContact O-CB 3.38Å; A202-L206 WeakPolarHBondContact O-CG 3.43Å; A202-L206 PolarHBondContact O-N 3.44Å
203	L	97.1	Very high	96.3	Very high	52 Å²	52	78.6 Å²	78.6	27%	0.272	45%	0.45	S	S	.	.	H	α-helix	trans	-63.4	-37.2	179.6	-68.7	174.6	0	0	0	112.7	T199 G207 L208 L209	T199-L203 HydrophobicContact CG2-CD1 4.02Å; T199-L203 HydrophobicContact CG2-CG 4.36Å; T199-L203 WeakPolarHBondContact O-CG 3.29Å; T199-L203 PolarHBondContact O-N 2.85Å; L203-G207 PolarHBondContact O-N 3.42Å; L203-L208 HydrophobicContact CD2-CB 3.98Å; L203-L208 HydrophobicContact CD2-CD1 3.83Å; L203-L208 PolarHBondContact O-N 2.98Å; L203-L209 HydrophobicContact CB-CB 4.03Å; L203-L209 HydrophobicContact CD1-CD2 4.32Å; L203-L209 PolarHBondContact O-N 3.46Å
204	N	94.8	Very high	96.3	Very high	61 Å²	61	80.1 Å²	80.1	33%	0.326	47%	0.469	S	S	.	.	H	α-helix	trans	-69.9	-43.6	175.9	-163.2	0.7	0	0	0	111.7	F200 A201 A202 L206 G207 L209 V211	F200-N204 VanDerWaalsContact O-CB 3.25Å; F200-N204 WeakPolarHBondContact O-CB 3.39Å; F200-N204 PolarHBondContact O-N 3.41Å; A201-N204 PolarHBondContact O-N 3.12Å; A202-N204 VanDerWaalsContact C-N 3.32Å; A202-N204 PolarHBondContact O-N 3.21Å; N204-L206 VanDerWaalsContact C-N 3.33Å; N204-L206 PolarHBondContact O-N 3.19Å; N204-G207 PolarHBondContact O-N 3.34Å; N204-G207 VanDerWaalsContact O-N 3.11Å; N204-L209 WeakPolarHBondContact CA-O 3.42Å; N204-V211 HydrophobicContact CB-CB 4.38Å; N204-V211 HydrophobicContact CB-CG2 4.37Å; N204-V211 PolarHBondContact ND2-O 2.67Å; N204-V211 VanDerWaalsContact ND2-O 3.07Å
205	C	94.9	Very high	96.2	Very high	114 Å²	114	82 Å²	82	77%	0.77	47%	0.471	S	S	*	.	H	α-helix	trans	-64	-36.9	176.6	-171.4	0	0	0	0	112.7	A201 A202 G207	A201-C205 VanDerWaalsContact O-CB 3.24Å; A201-C205 WeakPolarHBondContact O-CB 3.2Å; A201-C205 PolarHBondContact O-N 2.86Å; A202-C205 PolarHBondContact O-N 3.39Å; C205-G207 PolarHBondContact O-N 3.01Å
206	L	96.7	Very high	96.1	Very high	125 Å²	125	79.9 Å²	79.9	65%	0.654	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.5	176.7	-67.1	171.6	0	0	0	113	A202 N204 L208	A202-L206 WeakPolarHBondContact O-CB 3.38Å; A202-L206 WeakPolarHBondContact O-CG 3.43Å; A202-L206 PolarHBondContact O-N 3.44Å; N204-L206 VanDerWaalsContact C-N 3.33Å; N204-L206 PolarHBondContact O-N 3.19Å; L206-L208 HydrophobicContact CB-CD1 3.91Å; L206-L208 HydrophobicContact CB-CG 3.88Å; L206-L208 HydrophobicContact CD1-CD1 4.02Å; L206-L208 PolarHBondContact O-N 3.09Å
207	G	93.8	Very high	96.1	Very high	65 Å²	65	84.7 Å²	84.7	67%	0.67	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	12.3	-177.6	0	0	0	0	0	114.5	L203 N204 C205	L203-G207 PolarHBondContact O-N 3.42Å; N204-G207 PolarHBondContact O-N 3.34Å; N204-G207 VanDerWaalsContact O-N 3.11Å; C205-G207 PolarHBondContact O-N 3.01Å
208	L	95.9	Very high	96.1	Very high	125 Å²	125	86.2 Å²	86.2	65%	0.654	49%	0.487	S	S	*	.	S	Bend	trans	-79.2	-26.7	-178.7	-63	173.9	0	0	0	112.4	L203 L206	L203-L208 HydrophobicContact CD2-CB 3.98Å; L203-L208 HydrophobicContact CD2-CD1 3.83Å; L203-L208 PolarHBondContact O-N 2.98Å; L206-L208 HydrophobicContact CB-CD1 3.91Å; L206-L208 HydrophobicContact CB-CG 3.88Å; L206-L208 HydrophobicContact CD1-CD1 4.02Å; L206-L208 PolarHBondContact O-N 3.09Å
209	L	94.6	Very high	96.1	Very high	84 Å²	84	81.7 Å²	81.7	44%	0.44	46%	0.464	S	S	.	.	S	Bend	trans	-152.8	123.8	177.5	179.4	66.6	0	0	0	110.3	L203 N204 V211	L203-L209 HydrophobicContact CB-CB 4.03Å; L203-L209 HydrophobicContact CD1-CD2 4.32Å; L203-L209 PolarHBondContact O-N 3.46Å; N204-L209 WeakPolarHBondContact CA-O 3.42Å; L209-V211 HydrophobicContact CD2-CG2 3.84Å; L209-V211 HydrophobicContact CG-CG2 3.95Å; L209-V211 PolarHBondContact O-N 3.34Å
210	R	94.3	Very high	96.1	Very high	235 Å²	235	83.1 Å²	83.1	89%	0.887	47%	0.468	S	S	*	.			trans	-77.6	108	171.9	-71.1	-175.1	-177.4	170.8	1.2	110.2
211	V	94.6	Very high	96.1	Very high	12 Å²	12	86.3 Å²	86.3	7%	0.073	48%	0.482	C	S	.	.			trans	-99.3	120.1	177.4	-176.7	0	0	0	0	109.4	F200 N204 L209 I215 F216	F200-V211 HydrophobicContact CB-CG1 4.3Å; F200-V211 HydrophobicContact CB-CG2 4.08Å; F200-V211 HydrophobicContact CD2-CG1 4.18Å; F200-V211 HydrophobicContact CG-CG1 4.4Å; F200-V211 HydrophobicContact CG-CG2 4.23Å; N204-V211 HydrophobicContact CB-CB 4.38Å; N204-V211 HydrophobicContact CB-CG2 4.37Å; N204-V211 PolarHBondContact ND2-O 2.67Å; N204-V211 VanDerWaalsContact ND2-O 3.07Å; L209-V211 HydrophobicContact CD2-CG2 3.84Å; L209-V211 HydrophobicContact CG-CG2 3.95Å; L209-V211 PolarHBondContact O-N 3.34Å; V211-I215 HydrophobicContact CG1-CB 3.99Å; V211-I215 HydrophobicContact CG1-CD1 4.27Å; V211-I215 HydrophobicContact CG1-CG2 4Å; V211-F216 HydrophobicContact CB-CE2 3.78Å; V211-F216 HydrophobicContact CB-CZ 4.22Å; V211-F216 HydrophobicContact CG1-CD2 4.11Å; V211-F216 HydrophobicContact CG1-CE2 3.59Å; V211-F216 HydrophobicContact CG1-CZ 4.09Å
212	P	95.8	Very high	96.2	Very high	77 Å²	77	88.2 Å²	88.2	50%	0.5	49%	0.486	S	S	.	.			trans	-66.3	145.6	179.2	26.7	-35.4	0	0	0	112	G214 I215	P212-G214 PolarHBondContact O-N 3.05Å; P212-G214 VanDerWaalsContact O-N 3.11Å; P212-I215 HydrophobicContact CG-CB 4.49Å; P212-I215 HydrophobicContact CG-CD1 3.66Å; P212-I215 HydrophobicContact CG-CG1 3.86Å; P212-I215 PolarHBondContact O-N 3.42Å
213	L	94.9	Very high	96.3	Very high	153 Å²	153	86.9 Å²	86.9	80%	0.801	48%	0.475	S	S	*	.	H	α-helix	trans	-52.9	-33.3	177.4	-79.7	155.4	0	0	0	113.3	I215 F216 F217	L213-I215 PolarHBondContact O-N 2.03Å; L213-F216 PolarHBondContact O-N 3.37Å; L213-F216 VanDerWaalsContact O-N 3.17Å; L213-F217 PolarHBondContact O-N 3.42Å
214	G	96.8	Very high	96.3	Very high	45 Å²	45	86.8 Å²	86.8	46%	0.464	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-31	176.9	0	0	0	0	0	114	P212 S218	P212-G214 PolarHBondContact O-N 3.05Å; P212-G214 VanDerWaalsContact O-N 3.11Å; G214-S218 WeakPolarHBondContact O-CB 3.46Å; G214-S218 PolarHBondContact O-N 2.81Å; G214-S218 PolarHBondContact O-OG 2.76Å
215	I	96.3	Very high	96.5	Very high	69 Å²	69	87.9 Å²	87.9	35%	0.354	49%	0.487	S	S	.	.	H	α-helix	trans	-71.4	-43.8	175.5	-69.6	177	0	0	0	110.4	F200 V211 P212 L213 F217 S218 L219	F200-I215 HydrophobicContact CD2-CG2 3.93Å; F200-I215 HydrophobicContact CE2-CG2 3.91Å; V211-I215 HydrophobicContact CG1-CB 3.99Å; V211-I215 HydrophobicContact CG1-CD1 4.27Å; V211-I215 HydrophobicContact CG1-CG2 4Å; P212-I215 HydrophobicContact CG-CB 4.49Å; P212-I215 HydrophobicContact CG-CD1 3.66Å; P212-I215 HydrophobicContact CG-CG1 3.86Å; P212-I215 PolarHBondContact O-N 3.42Å; L213-I215 PolarHBondContact O-N 2.03Å; I215-F217 VanDerWaalsContact C-N 3.33Å; I215-F217 PolarHBondContact O-N 2.93Å; I215-S218 PolarHBondContact O-N 2.77Å; I215-L219 HydrophobicContact CG2-CD1 4.07Å; I215-L219 HydrophobicContact CG2-CG 4.49Å; I215-L219 WeakPolarHBondContact O-CG 3.3Å; I215-L219 PolarHBondContact O-N 2.84Å
216	F	96.5	Very high	96.6	Very high	35 Å²	35	83.9 Å²	83.9	15%	0.154	46%	0.458	C	S	.	.	H	α-helix	trans	-59.9	-44.9	174.5	-71.7	-78.5	0	0	0	111.5	L197 F200 A201 V211 L213 S218 L219 L220	L197-F216 HydrophobicContact CD2-CD1 4.23Å; L197-F216 HydrophobicContact CD2-CE1 4.42Å; L197-F216 HydrophobicContact CG-CD1 4.14Å; F200-F216 HydrophobicContact CB-CE1 4.22Å; F200-F216 HydrophobicContact CB-CZ 4.14Å; A201-F216 HydrophobicContact CB-CE1 4.04Å; A201-F216 HydrophobicContact CB-CZ 4.39Å; V211-F216 HydrophobicContact CB-CE2 3.78Å; V211-F216 HydrophobicContact CB-CZ 4.22Å; V211-F216 HydrophobicContact CG1-CD2 4.11Å; V211-F216 HydrophobicContact CG1-CE2 3.59Å; V211-F216 HydrophobicContact CG1-CZ 4.09Å; L213-F216 PolarHBondContact O-N 3.37Å; L213-F216 VanDerWaalsContact O-N 3.17Å; F216-S218 PolarHBondContact O-N 2.83Å; F216-L219 PolarHBondContact O-N 2.95Å; F216-L220 WeakPolarHBondContact O-CB 3.39Å; F216-L220 WeakPolarHBondContact O-CG 3.32Å; F216-L220 PolarHBondContact O-N 2.75Å
217	F	97.5	Very high	96.7	Very high	144 Å²	144	81.5 Å²	81.5	63%	0.632	45%	0.445	S	S	*	.	H	α-helix	trans	-59.6	-46.2	175.8	179.4	-97.1	0	0	0	111.9	L213 I215 L219 L220 F221	L213-F217 PolarHBondContact O-N 3.42Å; I215-F217 VanDerWaalsContact C-N 3.33Å; I215-F217 PolarHBondContact O-N 2.93Å; F217-L219 PolarHBondContact O-N 2.95Å; F217-L220 PolarHBondContact O-N 2.78Å; F217-F221 VanDerWaalsContact O-CB 3.26Å; F217-F221 WeakPolarHBondContact O-CB 3.34Å; F217-F221 PolarHBondContact O-N 3.5Å
218	S	97.6	Very high	96.9	Very high	71 Å²	71	82.9 Å²	82.9	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-62.3	-42.9	-179.8	-58.6	0	0	0	0	112.2	G214 I215 F216 L222	G214-S218 WeakPolarHBondContact O-CB 3.46Å; G214-S218 PolarHBondContact O-N 2.81Å; G214-S218 PolarHBondContact O-OG 2.76Å; I215-S218 PolarHBondContact O-N 2.77Å; F216-S218 PolarHBondContact O-N 2.83Å; S218-L222 WeakPolarHBondContact O-CB 2.89Å; S218-L222 PolarHBondContact O-N 2.95Å
219	L	97.7	Very high	97	Very high	29 Å²	29	82.5 Å²	82.5	15%	0.152	44%	0.439	C	S	.	.	H	α-helix	trans	-66.4	-44.3	177.1	-70.6	173.7	0	0	0	111.9	I193 T196 L197 F200 I215 F216 F217 L222 A223	I193-L219 HydrophobicContact CG2-CB 4.13Å; I193-L219 HydrophobicContact CG2-CD2 4.28Å; I193-L219 WeakPolarHBondContact CG2-O 3.36Å; T196-L219 HydrophobicContact CG2-CD1 4.02Å; L197-L219 HydrophobicContact CB-CD1 4.48Å; L197-L219 HydrophobicContact CD1-CB 4.37Å; F200-L219 HydrophobicContact CD2-CD1 4.09Å; F200-L219 HydrophobicContact CE2-CD1 4.36Å; I215-L219 HydrophobicContact CG2-CD1 4.07Å; I215-L219 HydrophobicContact CG2-CG 4.49Å; I215-L219 WeakPolarHBondContact O-CG 3.3Å; I215-L219 PolarHBondContact O-N 2.84Å; F216-L219 PolarHBondContact O-N 2.95Å; F217-L219 PolarHBondContact O-N 2.95Å; L219-L222 PolarHBondContact O-N 2.81Å; L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 2.84Å
220	L	97.9	Very high	97.1	Very high	101 Å²	101	79.9 Å²	79.9	53%	0.529	42%	0.424	S	S	.	.	H	α-helix	trans	-63.8	-41.7	176.3	-74.3	171.6	0	0	0	111.9	L197 F216 F217 A223 A224	L197-L220 HydrophobicContact CD1-CD2 3.55Å; L197-L220 HydrophobicContact CD1-CG 3.76Å; F216-L220 WeakPolarHBondContact O-CB 3.39Å; F216-L220 WeakPolarHBondContact O-CG 3.32Å; F216-L220 PolarHBondContact O-N 2.75Å; F217-L220 PolarHBondContact O-N 2.78Å; L220-A223 PolarHBondContact O-N 2.9Å; L220-A224 WeakPolarHBondContact O-CB 3.35Å; L220-A224 PolarHBondContact O-N 3.01Å
221	F	98.1	Very high	97.3	Very high	127 Å²	127	73.3 Å²	73.3	56%	0.557	41%	0.406	S	S	*	.	H	α-helix	trans	-61.9	-45.6	176.5	177.8	-99.5	0	0	0	111.4	F217 A224 L225	F217-F221 VanDerWaalsContact O-CB 3.26Å; F217-F221 WeakPolarHBondContact O-CB 3.34Å; F217-F221 PolarHBondContact O-N 3.5Å; F221-A224 PolarHBondContact O-N 2.87Å; F221-L225 WeakPolarHBondContact O-CB 3.23Å; F221-L225 PolarHBondContact O-N 2.02Å
222	L	97.9	Very high	97.4	Very high	80 Å²	80	73.9 Å²	73.9	42%	0.419	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-42.9	177.1	-176.7	61.2	0	0	0	111.9	I193 S218 L219 L225 I226	I193-L222 HydrophobicContact CD1-CB 4.32Å; I193-L222 HydrophobicContact CD1-CD2 3.71Å; I193-L222 HydrophobicContact CD1-CG 3.73Å; I193-L222 HydrophobicContact CG1-CD2 4.3Å; S218-L222 WeakPolarHBondContact O-CB 2.89Å; S218-L222 PolarHBondContact O-N 2.95Å; L219-L222 PolarHBondContact O-N 2.81Å; L222-L225 PolarHBondContact O-N 3.49Å; L222-I226 HydrophobicContact CD1-CD1 4.22Å; L222-I226 HydrophobicContact CD1-CG1 4.47Å; L222-I226 HydrophobicContact CG-CD1 4.08Å; L222-I226 WeakPolarHBondContact O-CG1 2.9Å; L222-I226 PolarHBondContact O-N 3.42Å
223	A	98	Very high	97.4	Very high	20 Å²	20	72.8 Å²	72.8	17%	0.165	40%	0.402	C	S	.	.	H	α-helix	trans	-60.3	-45.4	174.8	0	0	0	0	0	111.9	L190 I193 L219 L220 I226 L227	L190-A223 HydrophobicContact CD1-CB 3.66Å; I193-A223 HydrophobicContact CG2-CB 4Å; L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 2.84Å; L220-A223 PolarHBondContact O-N 2.9Å; A223-I226 PolarHBondContact O-N 3.24Å; A223-L227 VanDerWaalsContact O-CB 3.29Å; A223-L227 WeakPolarHBondContact O-CB 3.25Å; A223-L227 PolarHBondContact O-N 3.37Å
224	A	98.2	Very high	97.4	Very high	51 Å²	51	69.4 Å²	69.4	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-62	-45.1	177.4	0	0	0	0	0	111.4	L220 F221 I226 L227 T228	L220-A224 WeakPolarHBondContact O-CB 3.35Å; L220-A224 PolarHBondContact O-N 3.01Å; F221-A224 PolarHBondContact O-N 2.87Å; A224-I226 PolarHBondContact O-N 3.28Å; A224-L227 PolarHBondContact O-N 3.05Å; A224-T228 WeakPolarHBondContact O-CB 3.32Å; A224-T228 PolarHBondContact O-N 2.9Å; A224-T228 PolarHBondContact O-OG1 3.06Å
225	L	98.3	Very high	97.3	Very high	84 Å²	84	73.4 Å²	73.4	44%	0.44	39%	0.39	S	S	.	.	H	α-helix	trans	-59.2	-49	177.6	-179.2	63.6	0	0	0	111.9	F221 L222 L227 T228 L229	F221-L225 WeakPolarHBondContact O-CB 3.23Å; F221-L225 PolarHBondContact O-N 2.02Å; L222-L225 PolarHBondContact O-N 3.49Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 2.72Å; L225-T228 PolarHBondContact O-N 3.1Å; L225-L229 HydrophobicContact CD1-CD1 4.42Å; L225-L229 HydrophobicContact CG-CD1 4.37Å; L225-L229 WeakPolarHBondContact O-CG 3.27Å; L225-L229 PolarHBondContact O-N 2.98Å
226	I	98	Very high	97.3	Very high	29 Å²	29	73.8 Å²	73.8	15%	0.149	39%	0.388	C	S	.	.	H	α-helix	trans	-60	-45.9	177.6	-68.6	168.4	0	0	0	110.4	V186 P189 I193 L222 A223 A224 L229 F230	V186-I226 HydrophobicContact CB-CG2 4.37Å; V186-I226 HydrophobicContact CG1-CG2 3.9Å; P189-I226 HydrophobicContact CB-CD1 4.16Å; I193-I226 HydrophobicContact CD1-CD1 3.75Å; L222-I226 HydrophobicContact CD1-CD1 4.22Å; L222-I226 HydrophobicContact CD1-CG1 4.47Å; L222-I226 HydrophobicContact CG-CD1 4.08Å; L222-I226 WeakPolarHBondContact O-CG1 2.9Å; L222-I226 PolarHBondContact O-N 3.42Å; A223-I226 PolarHBondContact O-N 3.24Å; A224-I226 PolarHBondContact O-N 3.28Å; I226-L229 PolarHBondContact O-N 3.33Å; I226-F230 WeakPolarHBondContact O-CB 3.44Å; I226-F230 PolarHBondContact O-N 3.28Å
227	L	98	Very high	97.3	Very high	75 Å²	75	72.5 Å²	72.5	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-41.8	-179	-174.3	62.4	0	0	0	111.9	A223 A224 L225 F230 L231	A223-L227 VanDerWaalsContact O-CB 3.29Å; A223-L227 WeakPolarHBondContact O-CB 3.25Å; A223-L227 PolarHBondContact O-N 3.37Å; A224-L227 PolarHBondContact O-N 3.05Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 2.72Å; L227-F230 HydrophobicContact CD1-CD1 4.44Å; L227-F230 PolarHBondContact O-N 2.81Å; L227-L231 HydrophobicContact CD1-CD1 4.35Å; L227-L231 HydrophobicContact CD1-CG 4.28Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 HydrophobicContact CG-CG 4.35Å; L227-L231 WeakPolarHBondContact O-CB 3.15Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.29Å; L227-L231 PolarHBondContact O-N 3.44Å
228	T	98.2	Very high	97.2	Very high	95 Å²	95	69.2 Å²	69.2	58%	0.583	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-44.2	177	-63.1	0	0	0	0	111.6	A224 L225 F230 L231 G232	A224-T228 WeakPolarHBondContact O-CB 3.32Å; A224-T228 PolarHBondContact O-N 2.9Å; A224-T228 PolarHBondContact O-OG1 3.06Å; L225-T228 PolarHBondContact O-N 3.1Å; T228-F230 VanDerWaalsContact C-N 3.34Å; T228-F230 PolarHBondContact O-N 3.21Å; T228-L231 PolarHBondContact O-N 2.99Å; T228-G232 PolarHBondContact O-N 3.16Å
229	L	97.6	Very high	97.2	Very high	117 Å²	117	66.9 Å²	66.9	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-41.4	175.7	-69.8	173.4	0	0	0	111.7	L225 I226 G232 F233	L225-L229 HydrophobicContact CD1-CD1 4.42Å; L225-L229 HydrophobicContact CG-CD1 4.37Å; L225-L229 WeakPolarHBondContact O-CG 3.27Å; L225-L229 PolarHBondContact O-N 2.98Å; I226-L229 PolarHBondContact O-N 3.33Å; L229-G232 PolarHBondContact O-N 3.29Å; L229-F233 WeakPolarHBondContact O-CB 3.4Å; L229-F233 PolarHBondContact O-N 3.27Å
230	F	97.5	Very high	97.1	Very high	28 Å²	28	65.8 Å²	65.8	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-64.8	-47.2	177.1	176.1	-120.2	0	0	0	112.5	F182 V186 F187 I226 L227 T228 G232 F233 L234	F182-F230 HydrophobicContact CB-CE2 4.28Å; F182-F230 HydrophobicContact CD1-CD2 4.07Å; F182-F230 AromaticContact CD1-CE2 3.68Å; F182-F230 HydrophobicContact CD1-CE2 3.68Å; F182-F230 AromaticContact CD2-CE2 3.91Å; F182-F230 HydrophobicContact CD2-CE2 3.91Å; F182-F230 HydrophobicContact CE1-CD2 4.19Å; F182-F230 AromaticContact CE1-CE2 3.85Å; F182-F230 HydrophobicContact CE1-CE2 3.85Å; F182-F230 HydrophobicContact CE2-CE2 4.06Å; F182-F230 HydrophobicContact CG-CD2 4.48Å; F182-F230 AromaticContact CG-CE2 3.71Å; F182-F230 HydrophobicContact CG-CE2 3.71Å; F182-F230 HydrophobicContact CZ-CE2 4.02Å; V186-F230 HydrophobicContact CB-CD2 4.38Å; V186-F230 HydrophobicContact CB-CG 4.44Å; V186-F230 HydrophobicContact CG1-CB 3.8Å; V186-F230 HydrophobicContact CG1-CD1 4.01Å; V186-F230 HydrophobicContact CG1-CD2 4.11Å; V186-F230 HydrophobicContact CG1-CG 3.7Å; V186-F230 HydrophobicContact CG2-CB 4.02Å; V186-F230 HydrophobicContact CG2-CD2 3.85Å; V186-F230 HydrophobicContact CG2-CG 4.11Å; F187-F230 AromaticContact CE1-CE1 3.81Å; F187-F230 HydrophobicContact CE1-CE1 3.81Å; F187-F230 HydrophobicContact CE1-CE2 4.38Å; F187-F230 AromaticContact CE1-CZ 3.7Å; F187-F230 HydrophobicContact CE1-CZ 3.7Å; F187-F230 HydrophobicContact CZ-CE1 4.25Å; F187-F230 HydrophobicContact CZ-CE2 4.36Å; F187-F230 AromaticContact CZ-CZ 3.71Å; F187-F230 HydrophobicContact CZ-CZ 3.71Å; I226-F230 WeakPolarHBondContact O-CB 3.44Å; I226-F230 PolarHBondContact O-N 3.28Å; L227-F230 HydrophobicContact CD1-CD1 4.44Å; L227-F230 PolarHBondContact O-N 2.81Å; T228-F230 VanDerWaalsContact C-N 3.34Å; T228-F230 PolarHBondContact O-N 3.21Å; F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3.12Å; F230-F233 WeakPolarHBondContact O-CB 3.14Å; F230-F233 PolarHBondContact O-N 2.95Å; F230-L234 HydrophobicContact CD1-CD1 4.23Å; F230-L234 HydrophobicContact CD2-CG 4.35Å; F230-L234 HydrophobicContact CE1-CD1 3.64Å; F230-L234 HydrophobicContact CE1-CG 4.43Å; F230-L234 HydrophobicContact CE2-CD1 3.98Å; F230-L234 HydrophobicContact CE2-CD2 4.09Å; F230-L234 HydrophobicContact CE2-CG 3.94Å; F230-L234 HydrophobicContact CZ-CD1 3.51Å; F230-L234 HydrophobicContact CZ-CD2 4.25Å; F230-L234 HydrophobicContact CZ-CG 4.01Å; F230-L234 WeakPolarHBondContact O-CG 3.49Å; F230-L234 PolarHBondContact O-N 2.85Å
231	L	97.4	Very high	97.1	Very high	98 Å²	98	61.3 Å²	61.3	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-40.1	176.2	-69.9	173.8	0	0	0	111.4	L227 T228 L234 H235	L227-L231 HydrophobicContact CD1-CD1 4.35Å; L227-L231 HydrophobicContact CD1-CG 4.28Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 HydrophobicContact CG-CG 4.35Å; L227-L231 WeakPolarHBondContact O-CB 3.15Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.29Å; L227-L231 PolarHBondContact O-N 3.44Å; T228-L231 PolarHBondContact O-N 2.99Å; L231-L234 PolarHBondContact O-N 2.88Å; L231-H235 WeakPolarHBondContact O-CB 3.32Å; L231-H235 PolarHBondContact O-N 3.34Å
232	G	96.4	Very high	97.1	Very high	24 Å²	24	55.5 Å²	55.5	25%	0.247	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-47.6	172.4	0	0	0	0	0	111.8	T228 L229 F230 L234 H235 Y236	T228-G232 PolarHBondContact O-N 3.16Å; L229-G232 PolarHBondContact O-N 3.29Å; F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3.12Å; G232-L234 PolarHBondContact O-N 3.13Å; G232-H235 PolarHBondContact O-N 3.47Å; G232-Y236 WeakPolarHBondContact O-CB 3.43Å; G232-Y236 WeakPolarHBondContact O-CD2 3.33Å; G232-Y236 PolarHBondContact O-N 2.69Å
233	F	96.6	Very high	97.1	Very high	54 Å²	54	51.8 Å²	51.8	24%	0.237	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-50.7	175.9	-177.2	-84.3	0	0	0	111.8	F104 F178 F182 L229 F230 H235 Y236 F237	F104-F233 AromaticContact CE1-CE2 3.96Å; F104-F233 HydrophobicContact CE1-CE2 3.96Å; F104-F233 HydrophobicContact CZ-CE2 4.11Å; F178-F233 HydrophobicContact CB-CE1 4.43Å; F178-F233 AromaticContact CD1-CZ 3.97Å; F178-F233 HydrophobicContact CD1-CZ 3.97Å; F178-F233 AromaticContact CD2-CE1 3.82Å; F178-F233 HydrophobicContact CD2-CE1 3.82Å; F178-F233 AromaticContact CD2-CZ 3.7Å; F178-F233 HydrophobicContact CD2-CZ 3.7Å; F178-F233 HydrophobicContact CE1-CZ 4.05Å; F178-F233 HydrophobicContact CE2-CE1 4.27Å; F178-F233 AromaticContact CE2-CZ 3.81Å; F178-F233 HydrophobicContact CE2-CZ 3.81Å; F178-F233 HydrophobicContact CG-CE1 4.04Å; F178-F233 AromaticContact CG-CZ 3.79Å; F178-F233 HydrophobicContact CG-CZ 3.79Å; F178-F233 AromaticContact CZ-CZ 3.98Å; F178-F233 HydrophobicContact CZ-CZ 3.98Å; F182-F233 AromaticContact CE1-CD1 3.58Å; F182-F233 HydrophobicContact CE1-CD1 3.58Å; F182-F233 AromaticContact CE1-CE1 3.58Å; F182-F233 HydrophobicContact CE1-CE1 3.58Å; F182-F233 HydrophobicContact CE1-CG 4.43Å; F182-F233 HydrophobicContact CE1-CZ 4.39Å; F182-F233 AromaticContact CZ-CD1 3.64Å; F182-F233 HydrophobicContact CZ-CD1 3.64Å; F182-F233 AromaticContact CZ-CE1 3.49Å; F182-F233 HydrophobicContact CZ-CE1 3.49Å; F182-F233 VanDerWaalsContact CZ-CE1 3.49Å; L229-F233 WeakPolarHBondContact O-CB 3.4Å; L229-F233 PolarHBondContact O-N 3.27Å; F230-F233 WeakPolarHBondContact O-CB 3.14Å; F230-F233 PolarHBondContact O-N 2.95Å; F233-H235 VanDerWaalsContact C-N 3.26Å; F233-H235 PolarHBondContact O-N 2.91Å; F233-Y236 PolarHBondContact O-N 2.92Å; F233-F237 HydrophobicContact CD1-CB 4.28Å; F233-F237 HydrophobicContact CE1-CB 3.97Å; F233-F237 HydrophobicContact CE1-CD2 4.02Å; F233-F237 HydrophobicContact CE1-CG 4.03Å; F233-F237 AromaticContact CE2-CD2 3.77Å; F233-F237 HydrophobicContact CE2-CD2 3.77Å; F233-F237 HydrophobicContact CE2-CG 4.49Å; F233-F237 HydrophobicContact CZ-CB 4.13Å; F233-F237 AromaticContact CZ-CD2 3.37Å; F233-F237 HydrophobicContact CZ-CD2 3.37Å; F233-F237 HydrophobicContact CZ-CE2 4.06Å; F233-F237 AromaticContact CZ-CG 3.87Å; F233-F237 HydrophobicContact CZ-CG 3.87Å; F233-F237 WeakPolarHBondContact O-CB 3.4Å; F233-F237 PolarHBondContact O-N 3.27Å
234	L	95.2	Very high	97.1	Very high	82 Å²	82	50.9 Å²	50.9	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-59.9	-37.4	179.7	-69.8	-179.5	0	0	0	112.6	F182 F230 L231 G232	F182-L234 HydrophobicContact CE2-CD2 4Å; F182-L234 HydrophobicContact CZ-CD2 3.86Å; F230-L234 HydrophobicContact CD1-CD1 4.23Å; F230-L234 HydrophobicContact CD2-CG 4.35Å; F230-L234 HydrophobicContact CE1-CD1 3.64Å; F230-L234 HydrophobicContact CE1-CG 4.43Å; F230-L234 HydrophobicContact CE2-CD1 3.98Å; F230-L234 HydrophobicContact CE2-CD2 4.09Å; F230-L234 HydrophobicContact CE2-CG 3.94Å; F230-L234 HydrophobicContact CZ-CD1 3.51Å; F230-L234 HydrophobicContact CZ-CD2 4.25Å; F230-L234 HydrophobicContact CZ-CG 4.01Å; F230-L234 WeakPolarHBondContact O-CG 3.49Å; F230-L234 PolarHBondContact O-N 2.85Å; L231-L234 PolarHBondContact O-N 2.88Å; G232-L234 PolarHBondContact O-N 3.13Å
235	H	94.6	Very high	97.1	Very high	128 Å²	128	48.4 Å²	48.4	59%	0.593	25%	0.247	S	C	*	.	H	α-helix	trans	-73	-44.7	179.9	-174.6	76.3	0	0	0	112.4	L231 G232 F233 P239	L231-H235 WeakPolarHBondContact O-CB 3.32Å; L231-H235 PolarHBondContact O-N 3.34Å; G232-H235 PolarHBondContact O-N 3.47Å; F233-H235 VanDerWaalsContact C-N 3.26Å; F233-H235 PolarHBondContact O-N 2.91Å; H235-P239 WeakPolarHBondContact O-CD 3.42Å
236	Y	95.8	Very high	97.1	Very high	78 Å²	78	47.2 Å²	47.2	31%	0.306	24%	0.237	S	C	.	.	H	α-helix	trans	-94.8	-23.1	-170.2	-68.5	-64.3	0	0	0	114.5	G232 F233 R238 P239 L240 L568	G232-Y236 WeakPolarHBondContact O-CB 3.43Å; G232-Y236 WeakPolarHBondContact O-CD2 3.33Å; G232-Y236 PolarHBondContact O-N 2.69Å; F233-Y236 PolarHBondContact O-N 2.92Å; Y236-R238 VanDerWaalsContact C-N 3.34Å; Y236-R238 PolarHBondContact O-N 3.02Å; Y236-P239 WeakPolarHBondContact O-CD 3.42Å; Y236-L240 VanDerWaalsContact O-CB 3.24Å; Y236-L240 WeakPolarHBondContact O-CB 3.29Å; Y236-L240 WeakPolarHBondContact O-CG 3.47Å; Y236-L240 PolarHBondContact O-N 3.18Å; Y236-L568 HydrophobicContact CD1-CB 3.92Å; Y236-L568 WeakPolarHBondContact CD1-O 3.33Å; Y236-L568 HydrophobicContact CE1-CB 3.67Å; Y236-L568 WeakPolarHBondContact CE1-O 3.25Å
237	F	97.1	Very high	97.2	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-54.1	-50.1	-174.1	-179.7	-90.9	0	0	0	112.2	L103 F104 L167 D169 F178 F233 L240 N241	L103-F237 WeakPolarHBondContact O-CE2 3.23Å; F104-F237 HydrophobicContact CD1-CE2 4.22Å; F104-F237 HydrophobicContact CE1-CD2 4.11Å; F104-F237 AromaticContact CE1-CE2 3.97Å; F104-F237 HydrophobicContact CE1-CE2 3.97Å; L167-F237 HydrophobicContact CD1-CE1 4.15Å; L167-F237 HydrophobicContact CD1-CZ 3.89Å; D169-F237 HydrophobicContact CB-CD1 3.58Å; D169-F237 HydrophobicContact CB-CE1 3.55Å; F178-F237 HydrophobicContact CE1-CE2 4.35Å; F178-F237 HydrophobicContact CE2-CD1 4.15Å; F178-F237 AromaticContact CE2-CD2 3.91Å; F178-F237 HydrophobicContact CE2-CD2 3.91Å; F178-F237 AromaticContact CE2-CE1 3.69Å; F178-F237 HydrophobicContact CE2-CE1 3.69Å; F178-F237 AromaticContact CE2-CE2 3.4Å; F178-F237 HydrophobicContact CE2-CE2 3.4Å; F178-F237 VanDerWaalsContact CE2-CE2 3.4Å; F178-F237 HydrophobicContact CE2-CG 4.27Å; F178-F237 AromaticContact CE2-CZ 3.28Å; F178-F237 HydrophobicContact CE2-CZ 3.28Å; F178-F237 HydrophobicContact CZ-CD2 4.04Å; F178-F237 HydrophobicContact CZ-CE1 4.27Å; F178-F237 AromaticContact CZ-CE2 3.25Å; F178-F237 HydrophobicContact CZ-CE2 3.25Å; F178-F237 AromaticContact CZ-CZ 3.41Å; F178-F237 HydrophobicContact CZ-CZ 3.41Å; F178-F237 VanDerWaalsContact CZ-CZ 3.41Å; F233-F237 HydrophobicContact CD1-CB 4.28Å; F233-F237 HydrophobicContact CE1-CB 3.97Å; F233-F237 HydrophobicContact CE1-CD2 4.02Å; F233-F237 HydrophobicContact CE1-CG 4.03Å; F233-F237 AromaticContact CE2-CD2 3.77Å; F233-F237 HydrophobicContact CE2-CD2 3.77Å; F233-F237 HydrophobicContact CE2-CG 4.49Å; F233-F237 HydrophobicContact CZ-CB 4.13Å; F233-F237 AromaticContact CZ-CD2 3.37Å; F233-F237 HydrophobicContact CZ-CD2 3.37Å; F233-F237 HydrophobicContact CZ-CE2 4.06Å; F233-F237 AromaticContact CZ-CG 3.87Å; F233-F237 HydrophobicContact CZ-CG 3.87Å; F233-F237 WeakPolarHBondContact O-CB 3.4Å; F233-F237 PolarHBondContact O-N 3.27Å; F237-L240 PolarHBondContact O-N 3.24Å; F237-N241 WeakPolarHBondContact CD2-ND2 3.47Å; F237-N241 HydrophobicContact CE1-CB 4.38Å; F237-N241 HydrophobicContact CE2-CB 4.27Å; F237-N241 HydrophobicContact CZ-CB 4.07Å; F237-N241 WeakPolarHBondContact O-CB 3.44Å; F237-N241 PolarHBondContact O-N 2.92Å; F237-N241 PolarHBondContact O-ND2 3.39Å
238	R	96.1	Very high	97.2	Very high	74 Å²	74	48.7 Å²	48.7	28%	0.279	24%	0.24	S	C	.	.	H	α-helix	trans	-63.3	-56.2	-177.9	171	179.1	-179.5	-116.3	-4.8	112.6	D169 C170 Y236 L240 N241 C242 P254	D169-R238 WeakPolarHBondContact O-CB 3.29Å; C170-R238 WeakPolarHBondContact O-CD 3.42Å; C170-R238 PolarHBondContact O-NE 3.46Å; Y236-R238 VanDerWaalsContact C-N 3.34Å; Y236-R238 PolarHBondContact O-N 3.02Å; R238-L240 VanDerWaalsContact C-N 3.25Å; R238-L240 PolarHBondContact O-N 3.44Å; R238-N241 PolarHBondContact O-N 3.07Å; R238-C242 HydrophobicContact CG-CB 4.45Å; R238-C242 VanDerWaalsContact O-CB 3.26Å; R238-C242 WeakPolarHBondContact O-CB 3.31Å; R238-C242 PolarHBondContact O-N 3.39Å; R238-P254 HydrophobicContact CG-CB 4.12Å
239	P	95.8	Very high	97.1	Very high	22 Å²	22	49.4 Å²	49.4	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-36.3	177.3	-25.6	33.7	0	0	0	113.6	H235 Y236 Q253	H235-P239 WeakPolarHBondContact O-CD 3.42Å; Y236-P239 WeakPolarHBondContact O-CD 3.42Å; P239-Q253 WeakPolarHBondContact O-CG 3.48Å; P239-Q253 PolarHBondContact O-NE2 3.33Å
240	L	96.8	Very high	97.1	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	21%	0.211	C	C	.	.	H	α-helix	trans	-82.2	-21	-174.1	-64	-172	0	0	0	114.2	T105 Y236 F237 R238 F243 W555 Q560 L568 C570	T105-L240 PolarHBondContact OG1-O 3.14Å; Y236-L240 VanDerWaalsContact O-CB 3.24Å; Y236-L240 WeakPolarHBondContact O-CB 3.29Å; Y236-L240 WeakPolarHBondContact O-CG 3.47Å; Y236-L240 PolarHBondContact O-N 3.18Å; F237-L240 PolarHBondContact O-N 3.24Å; R238-L240 VanDerWaalsContact C-N 3.25Å; R238-L240 PolarHBondContact O-N 3.44Å; L240-F243 VanDerWaalsContact O-CE1 3.28Å; L240-F243 WeakPolarHBondContact O-CE1 3.14Å; L240-W555 HydrophobicContact CD1-CZ2 4.23Å; L240-Q560 HydrophobicContact CD1-CG 4.37Å; L240-Q560 HydrophobicContact CD2-CG 3.83Å; L240-Q560 PolarHBondContact O-NE2 2.99Å; L240-L568 HydrophobicContact CD1-CD2 3.67Å; L240-L568 HydrophobicContact CD2-CD2 4.31Å; L240-C570 HydrophobicContact CD2-CB 4.3Å; L240-C570 VanDerWaalsContact CD2-SG 3.54Å
241	N	97.9	Very high	97.1	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-121.7	-18.6	-173.8	-61.2	-72.3	0	0	0	114.5	F104 T105 L164 F237 R238	F104-N241 VanDerWaalsContact CA-OD1 3.24Å; F104-N241 WeakPolarHBondContact CA-OD1 3.38Å; T105-N241 HydrophobicContact CG2-CB 4.35Å; T105-N241 WeakPolarHBondContact CG2-O 3.47Å; T105-N241 PolarHBondContact N-OD1 3.5Å; T105-N241 PolarHBondContact OG1-OD1 3.38Å; L164-N241 HydrophobicContact CD2-CB 4.1Å; F237-N241 WeakPolarHBondContact CD2-ND2 3.47Å; F237-N241 HydrophobicContact CE1-CB 4.38Å; F237-N241 HydrophobicContact CE2-CB 4.27Å; F237-N241 HydrophobicContact CZ-CB 4.07Å; F237-N241 WeakPolarHBondContact O-CB 3.44Å; F237-N241 PolarHBondContact O-N 2.92Å; F237-N241 PolarHBondContact O-ND2 3.39Å; R238-N241 PolarHBondContact O-N 3.07Å
242	C	97.8	Very high	97	Very high	4 Å²	4	39 Å²	39	3%	0.027	18%	0.183	C	C	.	.			trans	-112.9	90.1	-177.5	-49.3	0	0	0	0	108.9	C170 R238 P254 M255	C170-C242 WeakPolarHBondContact CA-SG 3.41Å; C170-C242 HydrophobicContact CB-CB 3.6Å; C170-C242 WeakPolarHBondContact CB-SG 3.43Å; C170-C242 WeakPolarHBondContact SG-CB 3.32Å; C170-C242 CovalentContact SG-SG 2.04Å; C170-C242 PolarHBondContact SG-SG 2.92Å; R238-C242 HydrophobicContact CG-CB 4.45Å; R238-C242 VanDerWaalsContact O-CB 3.26Å; R238-C242 WeakPolarHBondContact O-CB 3.31Å; R238-C242 PolarHBondContact O-N 3.39Å; C242-P254 CarbonylContact O-C 3.51Å; C242-P254 VanDerWaalsContact O-CA 3.26Å; C242-P254 WeakPolarHBondContact O-CA 3.36Å; C242-M255 PolarHBondContact O-N 2.75Å
243	F	97.9	Very high	97	Very high	3 Å²	3	38 Å²	38	1%	0.013	17%	0.172	C	C	.	.			trans	-147.5	152.9	179	57.6	-97.9	0	0	0	111.4	T105 I162 L240 M245 I250 Q252 Q253 L561	T105-F243 HydrophobicContact CG2-CE1 3.68Å; T105-F243 HydrophobicContact CG2-CZ 3.86Å; I162-F243 WeakPolarHBondContact CG2-O 3.22Å; L240-F243 VanDerWaalsContact O-CE1 3.28Å; L240-F243 WeakPolarHBondContact O-CE1 3.14Å; F243-M245 HydrophobicContact CD2-CG 3.69Å; F243-M245 HydrophobicContact CD2-SD 4.32Å; F243-M245 HydrophobicContact CE2-CG 3.59Å; F243-M245 HydrophobicContact CE2-SD 3.59Å; F243-M245 VanDerWaalsContact CE2-SD 3.59Å; F243-I250 HydrophobicContact CB-CG2 4.29Å; F243-I250 HydrophobicContact CD1-CD1 4.4Å; F243-I250 HydrophobicContact CD2-CD1 3.71Å; F243-I250 HydrophobicContact CD2-CG1 3.68Å; F243-I250 HydrophobicContact CD2-CG2 4.26Å; F243-I250 HydrophobicContact CE1-CD1 4.43Å; F243-I250 HydrophobicContact CE2-CD1 3.74Å; F243-I250 HydrophobicContact CE2-CG1 3.78Å; F243-I250 HydrophobicContact CG-CD1 4.06Å; F243-I250 HydrophobicContact CG-CG1 4.44Å; F243-I250 HydrophobicContact CZ-CD1 4.13Å; F243-Q252 CarbonylContact C-O 3.57Å; F243-Q252 VanDerWaalsContact CA-O 3.23Å; F243-Q252 WeakPolarHBondContact CA-O 3.32Å; F243-Q252 VanDerWaalsContact CB-O 3.25Å; F243-Q252 WeakPolarHBondContact CB-O 3.4Å; F243-Q253 HydrophobicContact CB-CB 3.86Å; F243-Q253 HydrophobicContact CB-CG 3.94Å; F243-L561 HydrophobicContact CE2-CD1 4.26Å; F243-L561 HydrophobicContact CZ-CB 4.26Å; F243-L561 HydrophobicContact CZ-CD1 4.07Å
244	M	98.4	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.9	174.8	-63.6	-69.5	-67.5	0	0	110.5	Y160 G161 I162 I251 Q252 M255 L260	Y160-M244 HydrophobicContact CD1-CE 4.24Å; Y160-M244 HydrophobicContact CE1-CE 3.57Å; Y160-M244 HydrophobicContact CE2-CE 4.39Å; G161-M244 CarbonylContact O-C 3.52Å; G161-M244 WeakPolarHBondContact O-CA 3.49Å; I162-M244 HydrophobicContact CG2-SD 3.5Å; I162-M244 VanDerWaalsContact CG2-SD 3.5Å; M244-I251 HydrophobicContact CB-CD1 4.03Å; M244-I251 HydrophobicContact CB-CG1 3.79Å; M244-I251 WeakPolarHBondContact O-CG1 3.25Å; M244-I251 PolarHBondContact O-N 3.3Å; M244-Q252 HydrophobicContact CB-CB 4.01Å; M244-Q252 HydrophobicContact CG-CB 4.32Å; M244-Q252 PolarHBondContact N-O 3.02Å; M244-Q252 PolarHBondContact O-N 2.89Å; M244-M255 HydrophobicContact CG-CB 4.45Å; M244-M255 HydrophobicContact CG-CG 3.93Å; M244-M255 HydrophobicContact SD-CG 4.12Å; M244-M255 HydrophobicContact SD-SD 3.99Å; M244-L260 HydrophobicContact CE-CD1 3.87Å; M244-L260 HydrophobicContact SD-CD1 3.8Å
245	M	98.5	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149	178.7	-61.8	-167.2	73.2	0	0	111.4	M139 F159 Y160 G161 F243 E249 I250 L561	M139-M245 HydrophobicContact CE-CE 3.16Å; M139-M245 HydrophobicContact CE-SD 3.16Å; M139-M245 WeakPolarHBondContact CE-SD 3.28Å; M139-M245 HydrophobicContact SD-SD 4.28Å; F159-M245 HydrophobicContact CD1-CB 4.27Å; F159-M245 HydrophobicContact CE1-CB 3.79Å; F159-M245 HydrophobicContact CE1-SD 4.41Å; Y160-M245 WeakPolarHBondContact CA-O 3.5Å; G161-M245 PolarHBondContact N-O 3.4Å; G161-M245 PolarHBondContact O-N 2.98Å; F243-M245 HydrophobicContact CD2-CG 3.69Å; F243-M245 HydrophobicContact CD2-SD 4.32Å; F243-M245 HydrophobicContact CE2-CG 3.59Å; F243-M245 HydrophobicContact CE2-SD 3.59Å; F243-M245 VanDerWaalsContact CE2-SD 3.59Å; M245-E249 CarbonylContact C-O 3.6Å; M245-E249 WeakPolarHBondContact CA-O 3.43Å; M245-I250 HydrophobicContact CG-CG1 4.45Å; M245-L561 HydrophobicContact CE-CD1 4.14Å; M245-L561 HydrophobicContact SD-CD1 4.45Å
246	R	98.5	Very high	97.2	Very high	59 Å²	59	28.1 Å²	28.1	22%	0.223	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.4	162.9	-174.4	175.9	-73.3	131.4	8.1	107	Y158 F159 Y248 E249 I251 E267 E575 D578	Y158-R246 HydrophobicContact CE2-CG 4Å; Y158-R246 PolarHBondContact OH-NE 2.97Å; F159-R246 CarbonylContact O-C 3.5Å; F159-R246 WeakPolarHBondContact O-CA 3.44Å; R246-Y248 PolarHBondContact O-N 2.95Å; R246-E249 PolarHBondContact N-O 2.89Å; R246-E249 PolarHBondContact O-N 2.63Å; R246-E249 VanDerWaalsContact O-N 3.1Å; R246-I251 HydrophobicContact CB-CD1 4.15Å; R246-I251 HydrophobicContact CB-CG2 3.67Å; R246-E267 IonicContact CZ-OE1 2.68Å; R246-E267 IonicContact NE-OE1 2.99Å; R246-E267 PolarHBondContact NE-OE1 3.33Å; R246-E267 IonicContact NH2-OE1 2.78Å; R246-E267 PolarHBondContact NH2-OE1 3.47Å; R246-E575 IonicContact CZ-OE1 3.36Å; R246-E575 IonicContact NH1-OE1 2.88Å; R246-E575 IonicContact NH2-OE1 2.83Å; R246-E575 PolarHBondContact NH2-OE1 3.19Å; R246-D578 IonicContact NH1-OD2 3.66Å; R246-D578 PolarHBondContact NH1-OD2 3.5Å
247	N	98.5	Very high	97.2	Very high	48 Å²	48	25.8 Å²	25.8	26%	0.257	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-128.7	-169.6	-55.1	-40	0	0	0	110.1	H150 L152 F159 E249	H150-N247 PolarHBondContact CE1-O 3.1Å; H150-N247 PolarHBondContact NE2-O 3.44Å; L152-N247 HydrophobicContact CD2-CB 3.75Å; F159-N247 PolarHBondContact N-OD1 3.02Å; F159-N247 VanDerWaalsContact N-OD1 3.1Å; F159-N247 PolarHBondContact O-N 3.24Å; N247-E249 VanDerWaalsContact C-N 3.31Å; N247-E249 PolarHBondContact O-N 3.48Å
248	Y	98.1	Very high	97.1	Very high	87 Å²	87	30.1 Å²	30.1	34%	0.341	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.1	-178.2	-56.5	-62.2	0	0	0	114.7	F147 H150 L152 H153 R246	F147-Y248 HydrophobicContact CB-CD1 4Å; F147-Y248 HydrophobicContact CB-CE1 3.92Å; F147-Y248 HydrophobicContact CD1-CD1 4.23Å; F147-Y248 AromaticContact CD2-CD1 3.49Å; F147-Y248 HydrophobicContact CD2-CD1 3.49Å; F147-Y248 VanDerWaalsContact CD2-CD1 3.49Å; F147-Y248 HydrophobicContact CD2-CE1 4.09Å; F147-Y248 HydrophobicContact CD2-CG 4.08Å; F147-Y248 AromaticContact CE2-CD1 3.95Å; F147-Y248 HydrophobicContact CE2-CD1 3.95Å; F147-Y248 HydrophobicContact CE2-CG 4.15Å; F147-Y248 AromaticContact CG-CD1 3.64Å; F147-Y248 HydrophobicContact CG-CD1 3.64Å; F147-Y248 HydrophobicContact CG-CE1 4.1Å; F147-Y248 HydrophobicContact CZ-CD1 4.5Å; H150-Y248 HydrophobicContact CB-CE1 4.41Å; H150-Y248 AromaticContact CE1-CD1 3.71Å; H150-Y248 AromaticContact CE1-CE1 3.81Å; H150-Y248 AromaticContact CG-CE1 3.91Å; H150-Y248 AromaticContact ND1-CD1 3.6Å; H150-Y248 AromaticContact ND1-CE1 3.31Å; H150-Y248 VanDerWaalsContact ND1-CE1 3.31Å; H150-Y248 WeakPolarHBondContact ND1-CE1 3.46Å; L152-Y248 HydrophobicContact CB-CE1 3.98Å; L152-Y248 VanDerWaalsContact CB-OH 3.27Å; L152-Y248 WeakPolarHBondContact CB-OH 3.48Å; L152-Y248 HydrophobicContact CD2-CD2 4.17Å; L152-Y248 HydrophobicContact CD2-CE1 4.13Å; L152-Y248 HydrophobicContact CD2-CE2 3.65Å; H153-Y248 PolarHBondContact CD2-OH 2.83Å; H153-Y248 VanDerWaalsContact CD2-OH 3.24Å; H153-Y248 PolarHBondContact NE2-OH 2.85Å; R246-Y248 PolarHBondContact O-N 2.95Å
249	E	96.9	Very high	97.1	Very high	110 Å²	110	30.1 Å²	30.1	51%	0.514	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.9	-174.2	-63.3	-165.9	158.1	0	0	112.4	M245 R246 N247 R574	M245-E249 CarbonylContact C-O 3.6Å; M245-E249 WeakPolarHBondContact CA-O 3.43Å; R246-E249 PolarHBondContact N-O 2.89Å; R246-E249 PolarHBondContact O-N 2.63Å; R246-E249 VanDerWaalsContact O-N 3.1Å; N247-E249 VanDerWaalsContact C-N 3.31Å; N247-E249 PolarHBondContact O-N 3.48Å; E249-R574 IonicContact OE2-CZ 3.68Å; E249-R574 IonicContact OE2-NH1 2.74Å; E249-R574 PolarHBondContact OE2-NH1 3.31Å; E249-R574 IonicContact OE2-NH2 3.67Å
250	I	97.2	Very high	97.2	Very high	13 Å²	13	29.1 Å²	29.1	7%	0.067	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.5	166.1	-63.6	-176.6	0	0	0	108.7	F243 M245 Q253 L561 C563	F243-I250 HydrophobicContact CB-CG2 4.29Å; F243-I250 HydrophobicContact CD1-CD1 4.4Å; F243-I250 HydrophobicContact CD2-CD1 3.71Å; F243-I250 HydrophobicContact CD2-CG1 3.68Å; F243-I250 HydrophobicContact CD2-CG2 4.26Å; F243-I250 HydrophobicContact CE1-CD1 4.43Å; F243-I250 HydrophobicContact CE2-CD1 3.74Å; F243-I250 HydrophobicContact CE2-CG1 3.78Å; F243-I250 HydrophobicContact CG-CD1 4.06Å; F243-I250 HydrophobicContact CG-CG1 4.44Å; F243-I250 HydrophobicContact CZ-CD1 4.13Å; M245-I250 HydrophobicContact CG-CG1 4.45Å; I250-Q253 HydrophobicContact CG2-CB 3.73Å; I250-L561 HydrophobicContact CD1-CB 3.63Å; I250-L561 HydrophobicContact CG1-CB 4.46Å; I250-C563 HydrophobicContact CB-CB 4.16Å; I250-C563 HydrophobicContact CG2-CB 3.9Å
251	I	96.7	Very high	97.3	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-24.3	177.4	52.8	165.6	0	0	0	112.8	Y160 M244 R246 R574 E575	Y160-I251 HydrophobicContact CD2-CD1 3.83Å; Y160-I251 HydrophobicContact CE2-CD1 3.36Å; M244-I251 HydrophobicContact CB-CD1 4.03Å; M244-I251 HydrophobicContact CB-CG1 3.79Å; M244-I251 WeakPolarHBondContact O-CG1 3.25Å; M244-I251 PolarHBondContact O-N 3.3Å; R246-I251 HydrophobicContact CB-CD1 4.15Å; R246-I251 HydrophobicContact CB-CG2 3.67Å; I251-R574 WeakPolarHBondContact O-CB 3.45Å; I251-R574 PolarHBondContact O-N 2.96Å; I251-E575 HydrophobicContact CB-CG 4.32Å; I251-E575 HydrophobicContact CD1-CG 3.82Å; I251-E575 WeakPolarHBondContact CD1-OE1 3.47Å; I251-E575 HydrophobicContact CG1-CG 4.25Å
252	Q	96.9	Very high	97.4	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	118	178.5	-170.9	175.6	68.5	0	0	111.1	F243 M244 C572 D573 E575	F243-Q252 CarbonylContact C-O 3.57Å; F243-Q252 VanDerWaalsContact CA-O 3.23Å; F243-Q252 WeakPolarHBondContact CA-O 3.32Å; F243-Q252 VanDerWaalsContact CB-O 3.25Å; F243-Q252 WeakPolarHBondContact CB-O 3.4Å; M244-Q252 HydrophobicContact CB-CB 4.01Å; M244-Q252 HydrophobicContact CG-CB 4.32Å; M244-Q252 PolarHBondContact N-O 3.02Å; M244-Q252 PolarHBondContact O-N 2.89Å; Q252-C572 CarbonylContact C-O 3.6Å; Q252-C572 WeakPolarHBondContact CA-O 3.42Å; Q252-D573 PolarHBondContact NE2-OD1 3.41Å; Q252-E575 HydrophobicContact CB-CG 4.26Å
253	Q	96.6	Very high	97.4	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	119.5	-177.5	-175.4	171.1	33	0	0	110.1	P239 F243 I250 L561 C570 Q571 C572	P239-Q253 WeakPolarHBondContact O-CG 3.48Å; P239-Q253 PolarHBondContact O-NE2 3.33Å; F243-Q253 HydrophobicContact CB-CB 3.86Å; F243-Q253 HydrophobicContact CB-CG 3.94Å; I250-Q253 HydrophobicContact CG2-CB 3.73Å; Q253-L561 PolarHBondContact NE2-O 2.87Å; Q253-C570 HydrophobicContact CG-CB 4.17Å; Q253-Q571 CarbonylContact O-C 3.36Å; Q253-Q571 VanDerWaalsContact O-CA 3.26Å; Q253-Q571 WeakPolarHBondContact O-CA 3.33Å; Q253-C572 PolarHBondContact N-O 3.4Å; Q253-C572 PolarHBondContact O-N 3.36Å
254	P	96.3	Very high	97.4	Very high	32 Å²	32	30.7 Å²	30.7	21%	0.208	15%	0.149	C	C	.	.	S	Bend	cis	-65.7	161.6	-9.5	31	-35.6	0	0	0	111.9	R238 C242 S256	R238-P254 HydrophobicContact CG-CB 4.12Å; C242-P254 CarbonylContact O-C 3.51Å; C242-P254 VanDerWaalsContact O-CA 3.26Å; C242-P254 WeakPolarHBondContact O-CA 3.36Å; P254-S256 PolarHBondContact O-N 3.13Å
255	M	96.8	Very high	97.5	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-55.3	131.4	173.7	179.1	175.5	75.3	0	0	110.8	I162 C170 C242 M244 Y257 L260 L287	I162-M255 HydrophobicContact CG2-SD 3.74Å; C170-M255 HydrophobicContact CB-CE 4.29Å; C242-M255 PolarHBondContact O-N 2.75Å; M244-M255 HydrophobicContact CG-CB 4.45Å; M244-M255 HydrophobicContact CG-CG 3.93Å; M244-M255 HydrophobicContact SD-CG 4.12Å; M244-M255 HydrophobicContact SD-SD 3.99Å; M255-Y257 HydrophobicContact CE-CE1 3.89Å; M255-Y257 HydrophobicContact CE-CE2 4.2Å; M255-Y257 WeakPolarHBondContact CE-OH 3.32Å; M255-L260 HydrophobicContact CE-CD2 4.32Å; M255-L260 HydrophobicContact CG-CD2 4.22Å; M255-L260 HydrophobicContact SD-CD2 3.84Å; M255-L287 HydrophobicContact CE-CD2 4.15Å; M255-L287 HydrophobicContact SD-CD2 3.8Å
256	S	96.6	Very high	97.5	Very high	23 Å²	23	34.8 Å²	34.8	16%	0.161	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-95.2	141.5	169	-175.7	0	0	0	0	110.3	P254 D258 R263	P254-S256 PolarHBondContact O-N 3.13Å; S256-D258 VanDerWaalsContact C-N 3.29Å; S256-D258 WeakPolarHBondContact OG-CB 3.08Å; S256-D258 PolarHBondContact OG-N 2.94Å; S256-D258 VanDerWaalsContact OG-N 3.14Å; S256-D258 PolarHBondContact OG-OD2 2.84Å; S256-R263 PolarHBondContact O-NH2 2.96Å
257	Y	96.7	Very high	97.5	Very high	29 Å²	29	32.5 Å²	32.5	11%	0.114	17%	0.165	C	C	.	.			trans	-85.8	-3.8	173.3	-67.9	-88.5	0	0	0	112.7	N166 C170 K171 M255 N259 L260 F294	N166-Y257 PolarHBondContact OD1-OH 3.29Å; C170-Y257 WeakPolarHBondContact CB-OH 3.38Å; K171-Y257 HydrophobicContact CB-CD2 4.35Å; K171-Y257 HydrophobicContact CB-CE2 3.58Å; K171-Y257 HydrophobicContact CD-CD2 4.48Å; K171-Y257 HydrophobicContact CD-CE2 4.38Å; K171-Y257 HydrophobicContact CG-CD2 4.25Å; K171-Y257 HydrophobicContact CG-CE2 3.97Å; M255-Y257 HydrophobicContact CE-CE1 3.89Å; M255-Y257 HydrophobicContact CE-CE2 4.2Å; M255-Y257 WeakPolarHBondContact CE-OH 3.32Å; Y257-N259 PolarHBondContact O-N 3.27Å; Y257-L260 HydrophobicContact CD1-CD2 4.16Å; Y257-L260 PolarHBondContact O-N 3.15Å; Y257-F294 HydrophobicContact CD1-CB 3.76Å; Y257-F294 AromaticContact CD1-CD1 3.37Å; Y257-F294 HydrophobicContact CD1-CD1 3.37Å; Y257-F294 HydrophobicContact CD1-CD2 4.08Å; Y257-F294 AromaticContact CD1-CE1 3.92Å; Y257-F294 HydrophobicContact CD1-CE1 3.92Å; Y257-F294 AromaticContact CD1-CG 3.46Å; Y257-F294 HydrophobicContact CD1-CG 3.46Å; Y257-F294 VanDerWaalsContact CD1-CG 3.46Å; Y257-F294 HydrophobicContact CD1-CZ 4.47Å; Y257-F294 HydrophobicContact CE1-CB 4.48Å; Y257-F294 AromaticContact CE1-CD1 3.55Å; Y257-F294 HydrophobicContact CE1-CD1 3.55Å; Y257-F294 AromaticContact CE1-CE1 3.97Å; Y257-F294 HydrophobicContact CE1-CE1 3.97Å; Y257-F294 HydrophobicContact CE1-CG 4.13Å; Y257-F294 HydrophobicContact CG-CB 4.38Å; Y257-F294 HydrophobicContact CG-CG 4.41Å
258	D	94.4	Very high	97.5	Very high	99 Å²	99	30.2 Å²	30.2	53%	0.529	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	109.3	179.4	-61.8	-31.1	0	0	0	110.1	S256 L260 R263	S256-D258 VanDerWaalsContact C-N 3.29Å; S256-D258 WeakPolarHBondContact OG-CB 3.08Å; S256-D258 PolarHBondContact OG-N 2.94Å; S256-D258 VanDerWaalsContact OG-N 3.14Å; S256-D258 PolarHBondContact OG-OD2 2.84Å; D258-L260 PolarHBondContact O-N 3.48Å; D258-L260 VanDerWaalsContact O-N 3.1Å; D258-R263 PolarHBondContact O-NE 3.49Å
259	N	96.8	Very high	97.5	Very high	73 Å²	73	27 Å²	27	39%	0.39	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	40.4	-178.1	-69.1	-6	0	0	0	113.6	Y257 T261 Q262 R263	Y257-N259 PolarHBondContact O-N 3.27Å; N259-T261 PolarHBondContact O-N 3.42Å; N259-Q262 HydrophobicContact CB-CB 4.09Å; N259-Q262 HydrophobicContact CB-CG 4.27Å; N259-Q262 PolarHBondContact O-N 3.02Å; N259-Q262 PolarHBondContact O-OE1 3.09Å; N259-R263 WeakPolarHBondContact O-CG 3.43Å; N259-R263 PolarHBondContact O-N 2.98Å
260	L	97.9	Very high	97.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-43.5	-172	-179.7	55.8	0	0	0	112.1	M244 M255 Y257 D258 Q262 R263 L264 L287 F294	M244-L260 HydrophobicContact CE-CD1 3.87Å; M244-L260 HydrophobicContact SD-CD1 3.8Å; M255-L260 HydrophobicContact CE-CD2 4.32Å; M255-L260 HydrophobicContact CG-CD2 4.22Å; M255-L260 HydrophobicContact SD-CD2 3.84Å; Y257-L260 HydrophobicContact CD1-CD2 4.16Å; Y257-L260 PolarHBondContact O-N 3.15Å; D258-L260 PolarHBondContact O-N 3.48Å; D258-L260 VanDerWaalsContact O-N 3.1Å; L260-Q262 PolarHBondContact O-N 3.01Å; L260-R263 PolarHBondContact O-N 2.92Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 2.94Å; L260-L264 VanDerWaalsContact O-N 3.12Å; L260-L287 HydrophobicContact CD2-CD2 3.55Å; L260-L287 HydrophobicContact CG-CD2 4.33Å; L260-F294 HydrophobicContact CB-CD2 4.48Å; L260-F294 HydrophobicContact CB-CE2 3.77Å; L260-F294 HydrophobicContact CB-CZ 4.21Å; L260-F294 HydrophobicContact CD2-CE1 4.4Å; L260-F294 HydrophobicContact CD2-CE2 4.27Å; L260-F294 HydrophobicContact CD2-CZ 3.92Å; L260-F294 HydrophobicContact CG-CE2 4.25Å; L260-F294 HydrophobicContact CG-CZ 4.18Å
261	T	98.6	Very high	97.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-60.5	-45.6	174.8	-49.7	0	0	0	0	111	N259 R263 L264 T265 H288 F294 E314	N259-T261 PolarHBondContact O-N 3.42Å; T261-R263 VanDerWaalsContact C-N 3.29Å; T261-R263 PolarHBondContact O-N 3.46Å; T261-L264 WeakPolarHBondContact O-CB 3.41Å; T261-L264 PolarHBondContact O-N 2.96Å; T261-L264 VanDerWaalsContact O-N 3.13Å; T261-T265 PolarHBondContact O-N 3.27Å; T261-T265 PolarHBondContact O-OG1 3.48Å; T261-H288 PolarHBondContact OG1-CD2 3.14Å; T261-H288 VanDerWaalsContact OG1-CD2 3.24Å; T261-H288 PolarHBondContact OG1-NE2 2.86Å; T261-F294 WeakPolarHBondContact OG1-CE2 3.3Å; T261-E314 WeakPolarHBondContact CB-OE2 2.99Å; T261-E314 HydrophobicContact CG2-CG 4Å; T261-E314 PolarHBondContact OG1-OE2 3.16Å
262	Q	98.6	Very high	97.8	Very high	29 Å²	29	25.4 Å²	25.4	14%	0.136	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-38.8	179.5	-63.2	62.1	37.9	0	0	111.3	N259 L260 T265 V266 S296 E314 W317	N259-Q262 HydrophobicContact CB-CB 4.09Å; N259-Q262 HydrophobicContact CB-CG 4.27Å; N259-Q262 PolarHBondContact O-N 3.02Å; N259-Q262 PolarHBondContact O-OE1 3.09Å; L260-Q262 PolarHBondContact O-N 3.01Å; Q262-T265 WeakPolarHBondContact O-CB 3.47Å; Q262-T265 PolarHBondContact O-N 3.08Å; Q262-V266 VanDerWaalsContact O-CG2 3.31Å; Q262-V266 WeakPolarHBondContact O-CG2 3.33Å; Q262-V266 PolarHBondContact O-N 3.18Å; Q262-S296 PolarHBondContact NE2-OG 3.12Å; Q262-E314 PolarHBondContact NE2-OE1 3.49Å; Q262-W317 HydrophobicContact CB-CH2 4.15Å; Q262-W317 HydrophobicContact CB-CZ3 4.42Å; Q262-W317 HydrophobicContact CG-CH2 3.65Å; Q262-W317 HydrophobicContact CG-CZ3 3.86Å
263	R	98.4	Very high	97.9	Very high	24 Å²	24	29.5 Å²	29.5	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-41.5	176.1	-73.2	-170.9	-76.4	152.5	-1.7	112	S256 D258 N259 L260 T261 T265 V266 E267 E575	S256-R263 PolarHBondContact O-NH2 2.96Å; D258-R263 PolarHBondContact O-NE 3.49Å; N259-R263 WeakPolarHBondContact O-CG 3.43Å; N259-R263 PolarHBondContact O-N 2.98Å; L260-R263 PolarHBondContact O-N 2.92Å; T261-R263 VanDerWaalsContact C-N 3.29Å; T261-R263 PolarHBondContact O-N 3.46Å; R263-T265 VanDerWaalsContact C-N 3.33Å; R263-V266 PolarHBondContact O-N 2.91Å; R263-E267 WeakPolarHBondContact O-CB 3.39Å; R263-E267 WeakPolarHBondContact O-CG 3.26Å; R263-E267 PolarHBondContact O-N 2.79Å; R263-E575 WeakPolarHBondContact CD-OE2 3.16Å; R263-E575 IonicContact CZ-OE2 3.86Å; R263-E575 IonicContact NE-OE2 3.33Å; R263-E575 IonicContact NH1-OE2 3.71Å; R263-E575 PolarHBondContact NH1-OE2 3.44Å
264	L	98.8	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-43	172.4	-62	172.3	0	0	0	111.1	I132 Y160 L260 T261 E267 A268 Y286 L287	I132-L264 HydrophobicContact CG2-CB 4.11Å; I132-L264 HydrophobicContact CG2-CD2 3.85Å; I132-L264 WeakPolarHBondContact CG2-O 3.17Å; Y160-L264 HydrophobicContact CD1-CD2 3.89Å; Y160-L264 HydrophobicContact CE1-CD2 3.79Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 2.94Å; L260-L264 VanDerWaalsContact O-N 3.12Å; T261-L264 WeakPolarHBondContact O-CB 3.41Å; T261-L264 PolarHBondContact O-N 2.96Å; T261-L264 VanDerWaalsContact O-N 3.13Å; L264-E267 PolarHBondContact O-N 3.24Å; L264-A268 WeakPolarHBondContact O-CB 3.13Å; L264-A268 PolarHBondContact O-N 3.32Å; L264-Y286 HydrophobicContact CD1-CD1 4.32Å; L264-L287 HydrophobicContact CD1-CD1 4.18Å
265	T	98.9	Very high	98.1	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-45.5	176.3	-44.3	0	0	0	0	111.9	T261 Q262 R263 A268 A269 W317 S318 Q321 I322	T261-T265 PolarHBondContact O-N 3.27Å; T261-T265 PolarHBondContact O-OG1 3.48Å; Q262-T265 WeakPolarHBondContact O-CB 3.47Å; Q262-T265 PolarHBondContact O-N 3.08Å; R263-T265 VanDerWaalsContact C-N 3.33Å; T265-A268 PolarHBondContact O-N 3.39Å; T265-A269 VanDerWaalsContact O-CB 3.28Å; T265-A269 WeakPolarHBondContact O-CB 3.17Å; T265-A269 PolarHBondContact O-N 2.79Å; T265-W317 HydrophobicContact CG2-CH2 4.34Å; T265-S318 VanDerWaalsContact OG1-CB 3.32Å; T265-S318 WeakPolarHBondContact OG1-CB 3.33Å; T265-S318 PolarHBondContact OG1-OG 3.29Å; T265-Q321 HydrophobicContact CG2-CB 3.55Å; T265-Q321 HydrophobicContact CG2-CG 4Å; T265-I322 HydrophobicContact CG2-CD1 4.38Å
266	V	98.8	Very high	98.1	Very high	77 Å²	77	36.8 Å²	36.8	47%	0.467	19%	0.186	S	C	.	.	H	α-helix	trans	-63.4	-45.2	178.8	168.6	0	0	0	0	111	Q262 R263 A268 A269 Q270	Q262-V266 VanDerWaalsContact O-CG2 3.31Å; Q262-V266 WeakPolarHBondContact O-CG2 3.33Å; Q262-V266 PolarHBondContact O-N 3.18Å; R263-V266 PolarHBondContact O-N 2.91Å; V266-A268 PolarHBondContact O-N 3.44Å; V266-A269 PolarHBondContact O-N 2.77Å; V266-Q270 HydrophobicContact CG1-CG 4.31Å; V266-Q270 WeakPolarHBondContact O-CB 3.49Å; V266-Q270 VanDerWaalsContact O-CG 3.27Å; V266-Q270 WeakPolarHBondContact O-CG 3.41Å; V266-Q270 PolarHBondContact O-N 3.33Å
267	E	98.8	Very high	98.2	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-39.5	178.9	-78.3	-84.1	-169.5	0	0	112.5	I132 Y158 Y160 R246 R263 L264 F271	I132-E267 HydrophobicContact CD1-CB 4.22Å; I132-E267 HydrophobicContact CG2-CB 4.23Å; Y158-E267 WeakPolarHBondContact CE1-OE2 3.48Å; Y158-E267 VanDerWaalsContact OH-CD 3.23Å; Y158-E267 PolarHBondContact OH-OE1 3.42Å; Y158-E267 PolarHBondContact OH-OE2 2.87Å; Y160-E267 HydrophobicContact CD1-CB 3.84Å; Y160-E267 HydrophobicContact CD1-CG 3.57Å; Y160-E267 HydrophobicContact CD2-CG 3.85Å; Y160-E267 WeakPolarHBondContact CD2-OE1 3.28Å; Y160-E267 HydrophobicContact CE1-CB 4.28Å; Y160-E267 HydrophobicContact CE1-CG 3.73Å; Y160-E267 HydrophobicContact CE2-CG 3.98Å; Y160-E267 WeakPolarHBondContact CE2-OE1 3.27Å; Y160-E267 HydrophobicContact CG-CB 4.12Å; Y160-E267 HydrophobicContact CG-CG 3.65Å; R246-E267 IonicContact CZ-OE1 2.68Å; R246-E267 IonicContact NE-OE1 2.99Å; R246-E267 PolarHBondContact NE-OE1 3.33Å; R246-E267 IonicContact NH2-OE1 2.78Å; R246-E267 PolarHBondContact NH2-OE1 3.47Å; R263-E267 WeakPolarHBondContact O-CB 3.39Å; R263-E267 WeakPolarHBondContact O-CG 3.26Å; R263-E267 PolarHBondContact O-N 2.79Å; L264-E267 PolarHBondContact O-N 3.24Å; E267-F271 WeakPolarHBondContact O-CB 3.2Å; E267-F271 PolarHBondContact O-N 3.42Å
268	A	98.9	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-45.2	172.3	0	0	0	0	0	112.3	I132 L264 T265 V266 F271 I272 L282 L284 I322	I132-A268 HydrophobicContact CG1-CB 4.44Å; L264-A268 WeakPolarHBondContact O-CB 3.13Å; L264-A268 PolarHBondContact O-N 3.32Å; T265-A268 PolarHBondContact O-N 3.39Å; V266-A268 PolarHBondContact O-N 3.44Å; A268-F271 WeakPolarHBondContact O-CB 3.29Å; A268-F271 PolarHBondContact O-N 3.37Å; A268-F271 VanDerWaalsContact O-N 3.17Å; A268-I272 WeakPolarHBondContact O-CG1 3.44Å; A268-I272 PolarHBondContact O-N 3.25Å; A268-L282 HydrophobicContact CB-CD1 4.35Å; A268-L282 HydrophobicContact CB-CD2 3.96Å; A268-L284 HydrophobicContact CB-CD1 4.03Å; A268-L284 HydrophobicContact CB-CD2 4.14Å; A268-I322 HydrophobicContact CB-CD1 3.76Å
269	A	98.9	Very high	98.4	Very high	20 Å²	20	42.6 Å²	42.6	17%	0.165	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-47.5	176.8	0	0	0	0	0	111.8	T265 V266 F271 I272 Q273 I322 L325	T265-A269 VanDerWaalsContact O-CB 3.28Å; T265-A269 WeakPolarHBondContact O-CB 3.17Å; T265-A269 PolarHBondContact O-N 2.79Å; V266-A269 PolarHBondContact O-N 2.77Å; A269-F271 PolarHBondContact O-N 3.44Å; A269-I272 PolarHBondContact O-N 3.12Å; A269-Q273 WeakPolarHBondContact O-CB 3.25Å; A269-Q273 VanDerWaalsContact O-CG 3.31Å; A269-Q273 WeakPolarHBondContact O-CG 3.22Å; A269-Q273 PolarHBondContact O-N 2.9Å; A269-I322 HydrophobicContact CB-CD1 4.5Å; A269-L325 VanDerWaalsContact CA-CD2 3.47Å; A269-L325 HydrophobicContact CB-CD2 3.56Å
270	Q	98.8	Very high	98.5	Very high	89 Å²	89	39.1 Å²	39.1	42%	0.416	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-31.5	175.9	-74.2	176.1	-10.5	0	0	112.2	V266 R274	V266-Q270 HydrophobicContact CG1-CG 4.31Å; V266-Q270 WeakPolarHBondContact O-CB 3.49Å; V266-Q270 VanDerWaalsContact O-CG 3.27Å; V266-Q270 WeakPolarHBondContact O-CG 3.41Å; V266-Q270 PolarHBondContact O-N 3.33Å; Q270-R274 VanDerWaalsContact O-CG 3.29Å; Q270-R274 WeakPolarHBondContact O-CG 3.37Å; Q270-R274 PolarHBondContact O-N 3.46Å; Q270-R274 PolarHBondContact O-NH1 3.08Å; Q270-R274 VanDerWaalsContact O-NH1 3.08Å
271	F	98.9	Very high	98.5	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.022	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-42.7	175.1	174	-104.9	0	0	0	112.4	S128 A130 E267 A268 A269 R274 N275 F280 L281 L282	S128-F271 WeakPolarHBondContact O-CZ 3.29Å; A130-F271 HydrophobicContact CB-CD1 3.81Å; A130-F271 HydrophobicContact CB-CD2 3.52Å; A130-F271 HydrophobicContact CB-CE1 3.72Å; A130-F271 HydrophobicContact CB-CE2 3.43Å; A130-F271 VanDerWaalsContact CB-CE2 3.43Å; A130-F271 HydrophobicContact CB-CG 3.69Å; A130-F271 HydrophobicContact CB-CZ 3.52Å; E267-F271 WeakPolarHBondContact O-CB 3.2Å; E267-F271 PolarHBondContact O-N 3.42Å; A268-F271 WeakPolarHBondContact O-CB 3.29Å; A268-F271 PolarHBondContact O-N 3.37Å; A268-F271 VanDerWaalsContact O-N 3.17Å; A269-F271 PolarHBondContact O-N 3.44Å; F271-R274 WeakPolarHBondContact O-CG 3.48Å; F271-N275 WeakPolarHBondContact CD2-ND2 3.29Å; F271-N275 VanDerWaalsContact CE2-ND2 3.31Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.35Å; F271-N275 PolarHBondContact O-ND2 3.12Å; F271-F280 HydrophobicContact CE1-CB 3.83Å; F271-F280 AromaticContact CE1-CD2 3.94Å; F271-F280 HydrophobicContact CE1-CD2 3.94Å; F271-F280 HydrophobicContact CE1-CG 4.11Å; F271-F280 HydrophobicContact CZ-CB 3.84Å; F271-L281 WeakPolarHBondContact CE1-O 3.43Å; F271-L282 HydrophobicContact CD1-CB 3.98Å; F271-L282 HydrophobicContact CD1-CD1 3.95Å; F271-L282 HydrophobicContact CD1-CG 4.39Å; F271-L282 HydrophobicContact CE1-CB 3.86Å; F271-L282 HydrophobicContact CE1-CD1 4.44Å
272	I	98.8	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-48.2	175.1	-65.2	166.5	0	0	0	109.9	I30 A268 A269 R274 N275 T276 F280 L282 I322 L325 L326 L329 L331	I30-I272 HydrophobicContact CD1-CD1 3.93Å; A268-I272 WeakPolarHBondContact O-CG1 3.44Å; A268-I272 PolarHBondContact O-N 3.25Å; A269-I272 PolarHBondContact O-N 3.12Å; I272-R274 VanDerWaalsContact C-N 3.34Å; I272-R274 PolarHBondContact O-N 3.32Å; I272-N275 CarbonylContact O-C 3.44Å; I272-N275 PolarHBondContact O-N 2.53Å; I272-T276 PolarHBondContact O-N 3.2Å; I272-F280 HydrophobicContact CB-CZ 4.33Å; I272-F280 HydrophobicContact CG1-CE2 3.99Å; I272-F280 HydrophobicContact CG1-CZ 3.92Å; I272-F280 HydrophobicContact CG2-CE1 4.11Å; I272-F280 HydrophobicContact CG2-CZ 3.89Å; I272-L282 HydrophobicContact CD1-CD2 3.99Å; I272-L282 HydrophobicContact CG1-CD2 4.2Å; I272-I322 HydrophobicContact CD1-CD1 4.34Å; I272-I322 HydrophobicContact CD1-CG2 3.8Å; I272-L325 HydrophobicContact CB-CD2 4.17Å; I272-L325 HydrophobicContact CD1-CD2 4.3Å; I272-L325 HydrophobicContact CG2-CD2 4.29Å; I272-L326 HydrophobicContact CD1-CD2 4.37Å; I272-L326 HydrophobicContact CG2-CD2 4.06Å; I272-L329 HydrophobicContact CG2-CD1 3.79Å; I272-L331 HydrophobicContact CG2-CD1 3.92Å
273	Q	98.8	Very high	98.6	Very high	92 Å²	92	37.7 Å²	37.7	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-39.4	-177.7	-74.4	170.8	-32.1	0	0	113.3	A269 N275 T276 L325 L329	A269-Q273 WeakPolarHBondContact O-CB 3.25Å; A269-Q273 VanDerWaalsContact O-CG 3.31Å; A269-Q273 WeakPolarHBondContact O-CG 3.22Å; A269-Q273 PolarHBondContact O-N 2.9Å; Q273-N275 PolarHBondContact O-N 3.43Å; Q273-T276 WeakPolarHBondContact O-CG2 3.45Å; Q273-L325 HydrophobicContact CG-CD1 4.14Å; Q273-L325 HydrophobicContact CG-CD2 4.33Å; Q273-L329 HydrophobicContact CG-CD1 4.09Å
274	R	98.5	Very high	98.6	Very high	117 Å²	117	36.6 Å²	36.6	44%	0.442	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.8	178.4	73.9	-172	171.9	-107.7	10.1	114.3	Q270 F271 I272	Q270-R274 VanDerWaalsContact O-CG 3.29Å; Q270-R274 WeakPolarHBondContact O-CG 3.37Å; Q270-R274 PolarHBondContact O-N 3.46Å; Q270-R274 PolarHBondContact O-NH1 3.08Å; Q270-R274 VanDerWaalsContact O-NH1 3.08Å; F271-R274 WeakPolarHBondContact O-CG 3.48Å; I272-R274 VanDerWaalsContact C-N 3.34Å; I272-R274 PolarHBondContact O-N 3.32Å
275	N	98.6	Very high	98.6	Very high	15 Å²	15	36.7 Å²	36.7	8%	0.08	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	27.7	-179.6	-66.5	-76.5	0	0	0	112.2	S128 F271 I272 Q273 E277 T278 F280	S128-N275 WeakPolarHBondContact CB-OD1 3.35Å; S128-N275 PolarHBondContact OG-OD1 3.26Å; F271-N275 WeakPolarHBondContact CD2-ND2 3.29Å; F271-N275 VanDerWaalsContact CE2-ND2 3.31Å; F271-N275 WeakPolarHBondContact CE2-ND2 3.35Å; F271-N275 PolarHBondContact O-ND2 3.12Å; I272-N275 CarbonylContact O-C 3.44Å; I272-N275 PolarHBondContact O-N 2.53Å; Q273-N275 PolarHBondContact O-N 3.43Å; N275-E277 PolarHBondContact O-N 3.08Å; N275-E277 VanDerWaalsContact O-N 3.09Å; N275-T278 PolarHBondContact O-N 2.9Å; N275-T278 VanDerWaalsContact O-N 3.14Å; N275-F280 HydrophobicContact CB-CB 4.08Å; N275-F280 HydrophobicContact CB-CD1 3.88Å; N275-F280 HydrophobicContact CB-CG 4.34Å
276	T	97.6	Very high	98.6	Very high	57 Å²	57	36.3 Å²	36.3	35%	0.35	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.1	-179.5	46.8	0	0	0	0	113.9	I272 Q273 L329 L331	I272-T276 PolarHBondContact O-N 3.2Å; Q273-T276 WeakPolarHBondContact O-CG2 3.45Å; T276-L329 HydrophobicContact CG2-CD1 3.96Å; T276-L329 HydrophobicContact CG2-CD2 4.17Å; T276-L329 HydrophobicContact CG2-CG 4.47Å; T276-L331 HydrophobicContact CG2-CD1 4.34Å
277	E	96.9	Very high	98.6	Very high	186 Å²	186	32.7 Å²	32.7	87%	0.869	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	1.4	-178.1	-61.5	-179.2	-172.2	0	0	113.2	N275	N275-E277 PolarHBondContact O-N 3.08Å; N275-E277 VanDerWaalsContact O-N 3.09Å
278	T	97.3	Very high	98.6	Very high	57 Å²	57	32.2 Å²	32.2	35%	0.35	16%	0.16	S	C	.	.	S	Bend	trans	-123	129.4	-178.2	-59.5	0	0	0	0	109.3	N275 F280	N275-T278 PolarHBondContact O-N 2.9Å; N275-T278 VanDerWaalsContact O-N 3.14Å; T278-F280 PolarHBondContact O-N 2.9Å
279	P	98.4	Very high	98.5	Very high	31 Å²	31	32.3 Å²	32.3	20%	0.201	16%	0.161	C	C	.	.			trans	-57.9	127.6	176.9	25.2	-34.1	0	0	0	109.9	N28 Y127 S128	N28-P279 WeakPolarHBondContact OD1-CA 3.26Å; Y127-P279 VanDerWaalsContact CA-O 3.28Å; Y127-P279 WeakPolarHBondContact CA-O 3.29Å; Y127-P279 HydrophobicContact CD1-CB 3.99Å; Y127-P279 HydrophobicContact CE1-CB 3.74Å; Y127-P279 HydrophobicContact CE2-CB 4.28Å; Y127-P279 HydrophobicContact CG-CB 4.37Å; S128-P279 PolarHBondContact N-O 3.42Å; S128-P279 VanDerWaalsContact N-O 3.08Å
280	F	98.9	Very high	98.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.7	-175.6	64.1	-103.5	0	0	0	113.3	N28 I29 I30 S128 F271 I272 N275 T278 L282 L326 L331	N28-F280 WeakPolarHBondContact CA-O 3.11Å; N28-F280 HydrophobicContact CB-CD1 4.11Å; N28-F280 HydrophobicContact CB-CD2 4.11Å; N28-F280 HydrophobicContact CB-CE1 3.74Å; N28-F280 HydrophobicContact CB-CE2 3.73Å; N28-F280 HydrophobicContact CB-CG 4.29Å; N28-F280 HydrophobicContact CB-CZ 3.53Å; N28-F280 VanDerWaalsContact CG-CD1 3.49Å; N28-F280 WeakPolarHBondContact ND2-CE1 3.31Å; N28-F280 WeakPolarHBondContact OD1-CD1 3.41Å; N28-F280 VanDerWaalsContact OD1-CE1 3.28Å; N28-F280 WeakPolarHBondContact OD1-CE1 3.43Å; N28-F280 PolarHBondContact OD1-N 2.79Å; I29-F280 PolarHBondContact N-O 3.35Å; I30-F280 HydrophobicContact CD1-CE2 4.05Å; I30-F280 HydrophobicContact CG1-CE2 3.81Å; S128-F280 CarbonylContact O-C 3.57Å; S128-F280 VanDerWaalsContact O-CA 3.27Å; S128-F280 WeakPolarHBondContact O-CA 3.23Å; F271-F280 HydrophobicContact CE1-CB 3.83Å; F271-F280 AromaticContact CE1-CD2 3.94Å; F271-F280 HydrophobicContact CE1-CD2 3.94Å; F271-F280 HydrophobicContact CE1-CG 4.11Å; F271-F280 HydrophobicContact CZ-CB 3.84Å; I272-F280 HydrophobicContact CB-CZ 4.33Å; I272-F280 HydrophobicContact CG1-CE2 3.99Å; I272-F280 HydrophobicContact CG1-CZ 3.92Å; I272-F280 HydrophobicContact CG2-CE1 4.11Å; I272-F280 HydrophobicContact CG2-CZ 3.89Å; N275-F280 HydrophobicContact CB-CB 4.08Å; N275-F280 HydrophobicContact CB-CD1 3.88Å; N275-F280 HydrophobicContact CB-CG 4.34Å; T278-F280 PolarHBondContact O-N 2.9Å; F280-L282 HydrophobicContact CD2-CB 4.41Å; F280-L326 HydrophobicContact CZ-CD2 4.35Å; F280-L331 HydrophobicContact CE1-CD1 4.11Å
281	L	98.9	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.6	166.5	170.4	67.7	0	0	0	108.2	I29 L31 F118 A119 L122 S128 T129 A130 F156 F271 V283	I29-L281 HydrophobicContact CB-CD1 4.06Å; I29-L281 HydrophobicContact CG2-CD1 3.65Å; I29-L281 CarbonylContact O-C 3.56Å; I29-L281 VanDerWaalsContact O-CA 3.31Å; I29-L281 WeakPolarHBondContact O-CA 3.19Å; L31-L281 HydrophobicContact CD1-CD1 4.02Å; L31-L281 HydrophobicContact CG-CD1 4.14Å; F118-L281 HydrophobicContact CD2-CD1 4.44Å; F118-L281 HydrophobicContact CD2-CD2 3.81Å; F118-L281 HydrophobicContact CE2-CD1 4.23Å; F118-L281 HydrophobicContact CE2-CD2 3.88Å; A119-L281 HydrophobicContact CB-CD2 3.81Å; L122-L281 HydrophobicContact CB-CD2 4.34Å; L122-L281 HydrophobicContact CD2-CB 3.98Å; L122-L281 HydrophobicContact CD2-CD1 4.13Å; L122-L281 HydrophobicContact CD2-CD2 4.05Å; L122-L281 HydrophobicContact CD2-CG 4.26Å; S128-L281 PolarHBondContact O-N 3.36Å; T129-L281 CarbonylContact C-O 3.59Å; T129-L281 WeakPolarHBondContact CA-O 3.41Å; T129-L281 HydrophobicContact CG2-CB 4.05Å; T129-L281 HydrophobicContact CG2-CD2 4Å; A130-L281 PolarHBondContact N-O 3.32Å; F156-L281 HydrophobicContact CE1-CD2 4.46Å; F271-L281 WeakPolarHBondContact CE1-O 3.43Å; L281-V283 HydrophobicContact CD1-CG2 4.32Å; L281-V283 HydrophobicContact CG-CG2 4.39Å
282	L	98.9	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.7	169.5	173	60.8	0	0	0	109.2	I29 I30 L31 A130 I132 A268 F271 I272 F280 L284	I29-L282 PolarHBondContact O-N 2.79Å; I30-L282 CarbonylContact C-O 3.56Å; I30-L282 WeakPolarHBondContact CA-O 3.41Å; I30-L282 HydrophobicContact CD1-CD2 4.39Å; I30-L282 HydrophobicContact CG1-CB 4.21Å; I30-L282 HydrophobicContact CG1-CD2 4.47Å; I30-L282 HydrophobicContact CG2-CB 4.44Å; I30-L282 HydrophobicContact CG2-CD2 4.1Å; I30-L282 HydrophobicContact CG2-CG 4.36Å; L31-L282 PolarHBondContact N-O 2.93Å; A130-L282 HydrophobicContact CB-CD1 4.41Å; I132-L282 HydrophobicContact CB-CD1 4.36Å; I132-L282 HydrophobicContact CG1-CD1 3.61Å; A268-L282 HydrophobicContact CB-CD1 4.35Å; A268-L282 HydrophobicContact CB-CD2 3.96Å; F271-L282 HydrophobicContact CD1-CB 3.98Å; F271-L282 HydrophobicContact CD1-CD1 3.95Å; F271-L282 HydrophobicContact CD1-CG 4.39Å; F271-L282 HydrophobicContact CE1-CB 3.86Å; F271-L282 HydrophobicContact CE1-CD1 4.44Å; I272-L282 HydrophobicContact CD1-CD2 3.99Å; I272-L282 HydrophobicContact CG1-CD2 4.2Å; F280-L282 HydrophobicContact CD2-CB 4.41Å; L282-L284 HydrophobicContact CG-CB 4.36Å
283	V	98.9	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	106	164.2	-178.1	0	0	0	0	107.9	L31 F82 M83 F118 A130 L131 I132 F156 L281	L31-V283 HydrophobicContact CB-CG2 4.34Å; L31-V283 HydrophobicContact CD1-CG2 4.25Å; L31-V283 CarbonylContact O-C 3.56Å; L31-V283 WeakPolarHBondContact O-CA 3.44Å; F82-V283 HydrophobicContact CE1-CG1 4.49Å; M83-V283 HydrophobicContact CE-CG1 4.18Å; F118-V283 HydrophobicContact CE2-CG2 3.76Å; F118-V283 HydrophobicContact CZ-CG2 3.97Å; A130-V283 PolarHBondContact O-N 3.41Å; L131-V283 WeakPolarHBondContact CA-O 3.34Å; L131-V283 HydrophobicContact CD1-CB 3.81Å; L131-V283 HydrophobicContact CD1-CG1 3.56Å; I132-V283 PolarHBondContact N-O 3.28Å; F156-V283 HydrophobicContact CE1-CB 4.1Å; F156-V283 HydrophobicContact CE1-CG2 3.7Å; F156-V283 HydrophobicContact CZ-CB 4.27Å; F156-V283 HydrophobicContact CZ-CG2 3.82Å; L281-V283 HydrophobicContact CD1-CG2 4.32Å; L281-V283 HydrophobicContact CG-CG2 4.39Å
284	L	98.9	Very high	97.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	92.3	176.1	-173.1	55.1	0	0	0	108.5	L31 V32 M33 I132 A268 L282 Y286 I322	L31-L284 PolarHBondContact O-N 2.92Å; V32-L284 WeakPolarHBondContact CA-O 3.21Å; M33-L284 PolarHBondContact N-O 3.29Å; I132-L284 HydrophobicContact CB-CD1 3.71Å; I132-L284 HydrophobicContact CG2-CD1 3.64Å; A268-L284 HydrophobicContact CB-CD1 4.03Å; A268-L284 HydrophobicContact CB-CD2 4.14Å; L282-L284 HydrophobicContact CG-CB 4.36Å; L284-Y286 HydrophobicContact CD1-CE1 4.07Å; L284-Y286 HydrophobicContact CD2-CE1 3.92Å; L284-Y286 HydrophobicContact CD2-CE2 4.24Å; L284-Y286 WeakPolarHBondContact CD2-OH 3.44Å; L284-Y286 HydrophobicContact CG-CD1 4.42Å; L284-Y286 HydrophobicContact CG-CE1 3.83Å; L284-Y286 HydrophobicContact CG-CE2 4.16Å; L284-I322 HydrophobicContact CD2-CG1 4.1Å
285	S	98.9	Very high	97.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	96.6	-178.5	-167.5	0	0	0	0	110.4	M33 R79 I132 G133 K134	M33-S285 CarbonylContact O-C 3.51Å; M33-S285 WeakPolarHBondContact O-CA 3.26Å; R79-S285 PolarHBondContact NH1-OG 2.65Å; R79-S285 PolarHBondContact NH2-OG 2.98Å; I132-S285 PolarHBondContact O-N 2.84Å; G133-S285 CarbonylContact C-O 3.53Å; G133-S285 WeakPolarHBondContact CA-O 3.21Å; K134-S285 PolarHBondContact N-O 3.31Å; K134-S285 WeakPolarHBondContact O-CB 3.27Å; K134-S285 PolarHBondContact O-OG 2.82Å
286	Y	98.9	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.			trans	-64.5	154.4	-176.2	-65.4	-66.6	0	0	0	112	V32 M33 L264 L284 H288 M315 S318 V319	V32-Y286 HydrophobicContact CG1-CD2 4.06Å; V32-Y286 HydrophobicContact CG1-CE2 3.49Å; V32-Y286 VanDerWaalsContact CG1-CE2 3.49Å; M33-Y286 PolarHBondContact O-N 2.92Å; L264-Y286 HydrophobicContact CD1-CD1 4.32Å; L284-Y286 HydrophobicContact CD1-CE1 4.07Å; L284-Y286 HydrophobicContact CD2-CE1 3.92Å; L284-Y286 HydrophobicContact CD2-CE2 4.24Å; L284-Y286 WeakPolarHBondContact CD2-OH 3.44Å; L284-Y286 HydrophobicContact CG-CD1 4.42Å; L284-Y286 HydrophobicContact CG-CE1 3.83Å; L284-Y286 HydrophobicContact CG-CE2 4.16Å; Y286-H288 VanDerWaalsContact C-N 3.29Å; Y286-M315 HydrophobicContact CD2-CG 3.64Å; Y286-M315 HydrophobicContact CD2-SD 4.06Å; Y286-M315 HydrophobicContact CE2-CG 3.82Å; Y286-M315 HydrophobicContact CG-CG 4.12Å; Y286-S318 WeakPolarHBondContact CE1-OG 3.5Å; Y286-S318 VanDerWaalsContact OH-CB 3.29Å; Y286-S318 WeakPolarHBondContact OH-CB 3.37Å; Y286-S318 PolarHBondContact OH-OG 3.32Å; Y286-V319 HydrophobicContact CE2-CG2 4.13Å; Y286-V319 PolarHBondContact OH-N 2.81Å
287	L	98.6	Very high	97.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.13	C	C	.	.			trans	-77.2	-25.8	162.5	-80.8	61.2	0	0	0	110.6	K134 I162 N166 M255 L260 L264 H290 F294	K134-L287 HydrophobicContact CB-CD1 4.35Å; I162-L287 HydrophobicContact CD1-CD1 3.96Å; I162-L287 HydrophobicContact CD1-CD2 3.92Å; I162-L287 HydrophobicContact CD1-CG 3.72Å; I162-L287 HydrophobicContact CG1-CD1 4.08Å; I162-L287 HydrophobicContact CG1-CG 4.4Å; N166-L287 HydrophobicContact CB-CB 4.3Å; N166-L287 HydrophobicContact CB-CD2 4.34Å; N166-L287 HydrophobicContact CB-CG 4.26Å; M255-L287 HydrophobicContact CE-CD2 4.15Å; M255-L287 HydrophobicContact SD-CD2 3.8Å; L260-L287 HydrophobicContact CD2-CD2 3.55Å; L260-L287 HydrophobicContact CG-CD2 4.33Å; L264-L287 HydrophobicContact CD1-CD1 4.18Å; L287-H290 PolarHBondContact O-N 3.23Å; L287-H290 VanDerWaalsContact O-N 3.17Å; L287-F294 HydrophobicContact CB-CE1 4.27Å; L287-F294 HydrophobicContact CB-CZ 4.3Å
288	H	98.4	Very high	97.3	Very high	2 Å²	2	21 Å²	21	1%	0.009	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	136.9	171.6	-80.3	-23.2	0	0	0	110.5	D35 T261 Y286 F294 A311 E314 M315	D35-H288 WeakPolarHBondContact CB-O 3.47Å; D35-H288 PolarHBondContact N-O 3.33Å; D35-H288 CarbonylContact O-C 3.57Å; T261-H288 PolarHBondContact OG1-CD2 3.14Å; T261-H288 VanDerWaalsContact OG1-CD2 3.24Å; T261-H288 PolarHBondContact OG1-NE2 2.86Å; Y286-H288 VanDerWaalsContact C-N 3.29Å; H288-F294 AromaticContact CE1-CD1 3.62Å; H288-F294 AromaticContact CE1-CD2 3.56Å; H288-F294 AromaticContact CE1-CE1 3.44Å; H288-F294 VanDerWaalsContact CE1-CE1 3.44Å; H288-F294 WeakPolarHBondContact CE1-CE1 3.19Å; H288-F294 AromaticContact CE1-CE2 3.36Å; H288-F294 WeakPolarHBondContact CE1-CE2 3.1Å; H288-F294 AromaticContact CE1-CG 3.69Å; H288-F294 AromaticContact CE1-CZ 3.3Å; H288-F294 WeakPolarHBondContact CE1-CZ 3.42Å; H288-F294 PolarHBondContact CE1-O 2.93Å; H288-F294 AromaticContact ND1-CE1 3.6Å; H288-F294 AromaticContact ND1-CZ 3.65Å; H288-F294 AromaticContact NE2-CD2 3.95Å; H288-F294 AromaticContact NE2-CE2 3.58Å; H288-F294 AromaticContact NE2-CZ 3.81Å; H288-F294 PolarHBondContact NE2-O 2.94Å; H288-A311 PolarHBondContact CD2-O 3.3Å; H288-E314 IonicContact CD2-OE2 3.42Å; H288-E314 IonicContact CE1-OE2 2.7Å; H288-E314 IonicContact NE2-OE2 3.92Å; H288-E314 PolarHBondContact NE2-OE2 3.28Å; H288-M315 HydrophobicContact CB-CB 4.03Å; H288-M315 HydrophobicContact CB-CG 4.39Å; H288-M315 HydrophobicContact CB-SD 4.34Å
289	V	97.1	Very high	97.3	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-113.5	30.3	6.4	-69.9	0	0	0	0	112.6	D35 L37 L293 Y308 A311 V312	D35-V289 CarbonylContact O-C 3.54Å; D35-V289 WeakPolarHBondContact O-CA 3.32Å; D35-V289 WeakPolarHBondContact O-CG2 3.28Å; D35-V289 PolarHBondContact O-N 2.84Å; L37-V289 HydrophobicContact CB-CG2 4.12Å; L37-V289 HydrophobicContact CD1-CG2 4.2Å; V289-L293 VanDerWaalsContact O-CD2 3.29Å; V289-L293 WeakPolarHBondContact O-CD2 3.24Å; V289-Y308 HydrophobicContact CB-CD2 4.23Å; V289-Y308 HydrophobicContact CB-CE2 3.69Å; V289-Y308 HydrophobicContact CG2-CD2 4.41Å; V289-Y308 HydrophobicContact CG2-CE2 3.42Å; V289-Y308 VanDerWaalsContact CG2-CE2 3.42Å; V289-A311 HydrophobicContact CG1-CB 4.02Å; V289-V312 HydrophobicContact CB-CG2 4.43Å; V289-V312 HydrophobicContact CG1-CB 4.35Å; V289-V312 HydrophobicContact CG1-CG2 3.67Å; V289-V312 HydrophobicContact CG2-CG2 4.47Å
290	H	96.9	Very high	97.3	Very high	16 Å²	16	21 Å²	21	7%	0.074	11%	0.113	C	C	.	.	S	Bend	trans	-70.5	139.4	178.2	-168.7	-65.1	0	0	0	111.4	D35 D36 N166 L287 K368	D35-H290 HydrophobicContact CB-CB 3.89Å; D35-H290 VanDerWaalsContact CG-CB 3.41Å; D35-H290 PolarHBondContact O-N 2.72Å; D35-H290 IonicContact OD1-CD2 3.77Å; D35-H290 WeakPolarHBondContact OD2-CB 3.35Å; D35-H290 IonicContact OD2-CD2 3.27Å; D35-H290 IonicContact OD2-CG 3.32Å; D36-H290 IonicContact OD1-CD2 2.67Å; D36-H290 IonicContact OD2-CD2 3.59Å; D36-H290 PolarHBondContact OD2-CD2 2.71Å; D36-H290 IonicContact OD2-CG 3.7Å; D36-H290 IonicContact OD2-NE2 2.88Å; N166-H290 PolarHBondContact ND2-O 3.39Å; N166-H290 PolarHBondContact O-CE1 3.22Å; N166-H290 PolarHBondContact O-ND1 2.97Å; L287-H290 PolarHBondContact O-N 3.23Å; L287-H290 VanDerWaalsContact O-N 3.17Å; H290-K368 PolarHBondContact CD2-NZ 2.83Å; H290-K368 PolarHBondContact NE2-NZ 2.79Å
291	T	89.8	Confident	97.1	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.043	15%	0.148	C	C	.	.	S	Bend	trans	-59.4	141.1	175.3	-50.9	0	0	0	0	111.6	N166 L167 R168 E349	N166-T291 CarbonylContact C-O 3.54Å; N166-T291 VanDerWaalsContact C-O 3.23Å; N166-T291 VanDerWaalsContact O-O 3.12Å; L167-T291 CarbonylContact C-O 3.51Å; L167-T291 WeakPolarHBondContact CA-O 3.38Å; L167-T291 PolarHBondContact N-O 3.47Å; R168-T291 HydrophobicContact CB-CG2 4.41Å; R168-T291 HydrophobicContact CG-CG2 3.24Å; T291-E349 WeakPolarHBondContact CB-OE1 3.36Å; T291-E349 WeakPolarHBondContact CG2-OE1 3.44Å; T291-E349 VanDerWaalsContact OG1-CG 3.3Å; T291-E349 WeakPolarHBondContact OG1-CG 3.17Å; T291-E349 PolarHBondContact OG1-OE1 3.43Å
292	A	93.4	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.172	C	C	.	.	S	Bend	cis	-71.5	125.9	2	0	0	0	0	0	114	N166 L167 K171 E174 F294	N166-A292 PolarHBondContact ND2-N 3.49Å; N166-A292 PolarHBondContact ND2-O 3.2Å; L167-A292 WeakPolarHBondContact O-CB 3.37Å; L167-A292 PolarHBondContact O-N 3.47Å; K171-A292 HydrophobicContact CB-CB 3.48Å; K171-A292 VanDerWaalsContact CB-CB 3.48Å; K171-A292 HydrophobicContact CD-CB 3.96Å; K171-A292 HydrophobicContact CG-CB 4.36Å; E174-A292 HydrophobicContact CB-CB 4.22Å; E174-A292 HydrophobicContact CG-CB 3.87Å; A292-F294 WeakPolarHBondContact O-CD1 3.28Å
293	L	95.3	Very high	96.8	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.042	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-66.9	146.4	176.7	-62.7	170	0	0	0	111.2	V289 V307 Y308 A311 H357	V289-L293 VanDerWaalsContact O-CD2 3.29Å; V289-L293 WeakPolarHBondContact O-CD2 3.24Å; L293-V307 HydrophobicContact CB-CB 4.38Å; L293-V307 HydrophobicContact CB-CG2 4.32Å; L293-V307 HydrophobicContact CD1-CB 4.35Å; L293-V307 HydrophobicContact CD1-CG2 3.67Å; L293-Y308 HydrophobicContact CD1-CD2 4.5Å; L293-Y308 HydrophobicContact CD2-CD2 4.1Å; L293-A311 HydrophobicContact CD2-CB 4.18Å; L293-H357 HydrophobicContact CD1-CB 3.7Å
294	F	96.9	Very high	96.6	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.057	21%	0.21	C	C	.	.			trans	-153.1	163.1	177	63.1	-84.6	0	0	0	110.1	Y257 L260 T261 L287 H288 A292	Y257-F294 HydrophobicContact CD1-CB 3.76Å; Y257-F294 AromaticContact CD1-CD1 3.37Å; Y257-F294 HydrophobicContact CD1-CD1 3.37Å; Y257-F294 HydrophobicContact CD1-CD2 4.08Å; Y257-F294 AromaticContact CD1-CE1 3.92Å; Y257-F294 HydrophobicContact CD1-CE1 3.92Å; Y257-F294 AromaticContact CD1-CG 3.46Å; Y257-F294 HydrophobicContact CD1-CG 3.46Å; Y257-F294 VanDerWaalsContact CD1-CG 3.46Å; Y257-F294 HydrophobicContact CD1-CZ 4.47Å; Y257-F294 HydrophobicContact CE1-CB 4.48Å; Y257-F294 AromaticContact CE1-CD1 3.55Å; Y257-F294 HydrophobicContact CE1-CD1 3.55Å; Y257-F294 AromaticContact CE1-CE1 3.97Å; Y257-F294 HydrophobicContact CE1-CE1 3.97Å; Y257-F294 HydrophobicContact CE1-CG 4.13Å; Y257-F294 HydrophobicContact CG-CB 4.38Å; Y257-F294 HydrophobicContact CG-CG 4.41Å; L260-F294 HydrophobicContact CB-CD2 4.48Å; L260-F294 HydrophobicContact CB-CE2 3.77Å; L260-F294 HydrophobicContact CB-CZ 4.21Å; L260-F294 HydrophobicContact CD2-CE1 4.4Å; L260-F294 HydrophobicContact CD2-CE2 4.27Å; L260-F294 HydrophobicContact CD2-CZ 3.92Å; L260-F294 HydrophobicContact CG-CE2 4.25Å; L260-F294 HydrophobicContact CG-CZ 4.18Å; T261-F294 WeakPolarHBondContact OG1-CE2 3.3Å; L287-F294 HydrophobicContact CB-CE1 4.27Å; L287-F294 HydrophobicContact CB-CZ 4.3Å; H288-F294 AromaticContact CE1-CD1 3.62Å; H288-F294 AromaticContact CE1-CD2 3.56Å; H288-F294 AromaticContact CE1-CE1 3.44Å; H288-F294 VanDerWaalsContact CE1-CE1 3.44Å; H288-F294 WeakPolarHBondContact CE1-CE1 3.19Å; H288-F294 AromaticContact CE1-CE2 3.36Å; H288-F294 WeakPolarHBondContact CE1-CE2 3.1Å; H288-F294 AromaticContact CE1-CG 3.69Å; H288-F294 AromaticContact CE1-CZ 3.3Å; H288-F294 WeakPolarHBondContact CE1-CZ 3.42Å; H288-F294 PolarHBondContact CE1-O 2.93Å; H288-F294 AromaticContact ND1-CE1 3.6Å; H288-F294 AromaticContact ND1-CZ 3.65Å; H288-F294 AromaticContact NE2-CD2 3.95Å; H288-F294 AromaticContact NE2-CE2 3.58Å; H288-F294 AromaticContact NE2-CZ 3.81Å; H288-F294 PolarHBondContact NE2-O 2.94Å; A292-F294 WeakPolarHBondContact O-CD1 3.28Å
295	S	97.3	Very high	96.3	Very high	35 Å²	35	41.2 Å²	41.2	25%	0.245	22%	0.224	C	C	.	.			trans	-157.1	154.3	171.4	54.3	0	0	0	0	109.1	A300	S295-A300 WeakPolarHBondContact OG-CA 3.44Å
296	S	97.3	Very high	96	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.049	24%	0.243	C	C	.	.			trans	-70.1	166.8	168	63.2	0	0	0	0	111.1	Q262 D298 F299 A300 E314	Q262-S296 PolarHBondContact NE2-OG 3.12Å; S296-D298 PolarHBondContact O-N 3.23Å; S296-F299 PolarHBondContact O-N 2.65Å; S296-A300 PolarHBondContact O-N 2.99Å; S296-E314 WeakPolarHBondContact CA-OE1 3.49Å; S296-E314 WeakPolarHBondContact CB-OE1 3.31Å; S296-E314 PolarHBondContact N-OE1 2.93Å; S296-E314 PolarHBondContact OG-OE1 3.45Å
297	K	97	Very high	95.9	Very high	169 Å²	169	46.1 Å²	46.1	74%	0.735	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-26	175.6	65.4	178.1	-174.3	174.3	0	113.7	F299	K297-F299 VanDerWaalsContact C-N 3.27Å; K297-F299 PolarHBondContact O-N 3.07Å
298	D	97.4	Very high	95.8	Very high	89 Å²	89	46.3 Å²	46.3	48%	0.476	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.1	-176	-61.5	-36.8	0	0	0	112.4	S296 K302	S296-D298 PolarHBondContact O-N 3.23Å; D298-K302 VanDerWaalsContact O-CD 3.26Å; D298-K302 WeakPolarHBondContact O-CD 3.43Å; D298-K302 WeakPolarHBondContact O-CE 3.26Å; D298-K302 PolarHBondContact O-NZ 2.93Å
299	F	98.1	Very high	95.8	Very high	32 Å²	32	46.2 Å²	46.2	14%	0.14	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-26.1	179.9	-67.7	-90.7	0	0	0	113.1	S296 K297 G301 K302 D310 E313 E314 W317	S296-F299 PolarHBondContact O-N 2.65Å; K297-F299 VanDerWaalsContact C-N 3.27Å; K297-F299 PolarHBondContact O-N 3.07Å; F299-G301 PolarHBondContact O-N 2.79Å; F299-K302 WeakPolarHBondContact O-CB 3.26Å; F299-K302 PolarHBondContact O-N 2.94Å; F299-K302 VanDerWaalsContact O-N 3.12Å; F299-D310 HydrophobicContact CB-CB 4.49Å; F299-E313 HydrophobicContact CD1-CB 3.85Å; F299-E313 HydrophobicContact CE1-CB 4.16Å; F299-E313 WeakPolarHBondContact CE1-O 3.16Å; F299-E314 HydrophobicContact CB-CB 4.21Å; F299-E314 HydrophobicContact CD1-CB 4.07Å; F299-E314 HydrophobicContact CD2-CB 3.8Å; F299-E314 HydrophobicContact CD2-CG 3.77Å; F299-E314 HydrophobicContact CE1-CB 4.46Å; F299-E314 HydrophobicContact CE2-CB 4.22Å; F299-E314 HydrophobicContact CE2-CG 4.04Å; F299-E314 HydrophobicContact CG-CB 3.73Å; F299-E314 HydrophobicContact CG-CG 4.24Å; F299-W317 HydrophobicContact CE1-CB 4.07Å; F299-W317 HydrophobicContact CE2-CB 4.17Å; F299-W317 HydrophobicContact CE2-CD2 4.34Å; F299-W317 HydrophobicContact CE2-CG 4.1Å; F299-W317 HydrophobicContact CZ-CB 3.39Å; F299-W317 HydrophobicContact CZ-CD2 4.37Å; F299-W317 AromaticContact CZ-CG 3.67Å; F299-W317 HydrophobicContact CZ-CG 3.67Å
300	A	97.2	Very high	95.8	Very high	54 Å²	54	46.2 Å²	46.2	45%	0.446	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	122.2	-177.7	0	0	0	0	0	113.5	S295 S296 K302	S295-A300 WeakPolarHBondContact OG-CA 3.44Å; S296-A300 PolarHBondContact O-N 2.99Å; A300-K302 VanDerWaalsContact C-N 3.33Å; A300-K302 PolarHBondContact O-N 3.43Å
301	G	96	Very high	95.9	Very high	72 Å²	72	45.5 Å²	45.5	74%	0.742	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	14.5	176.3	0	0	0	0	0	115.2	F299 D310	F299-G301 PolarHBondContact O-N 2.79Å; G301-D310 PolarHBondContact N-OD2 3.47Å
302	K	95.8	Very high	96.3	Very high	115 Å²	115	45.1 Å²	45.1	50%	0.5	26%	0.256	S	S	.	.			trans	-100.5	-19.8	-174.9	-63.1	-170.7	-176.2	177.4	0	113.9	R51 D298 F299 A300 D310	R51-K302 PolarHBondContact NH1-O 3.02Å; D298-K302 VanDerWaalsContact O-CD 3.26Å; D298-K302 WeakPolarHBondContact O-CD 3.43Å; D298-K302 WeakPolarHBondContact O-CE 3.26Å; D298-K302 PolarHBondContact O-NZ 2.93Å; F299-K302 WeakPolarHBondContact O-CB 3.26Å; F299-K302 PolarHBondContact O-N 2.94Å; F299-K302 VanDerWaalsContact O-N 3.12Å; A300-K302 VanDerWaalsContact C-N 3.33Å; A300-K302 PolarHBondContact O-N 3.43Å; K302-D310 PolarHBondContact N-OD1 2.85Å; K302-D310 VanDerWaalsContact N-OD1 3.09Å
303	S	95.9	Very high	96.5	Very high	15 Å²	15	45.7 Å²	45.7	11%	0.105	26%	0.259	C	S	.	.			trans	-85.1	148.9	-179.6	-165.5	0	0	0	0	112.3	H305 G309 D310 E313	S303-H305 PolarHBondContact O-N 2.95Å; S303-H305 PolarHBondContact OG-N 2.86Å; S303-G309 VanDerWaalsContact OG-CA 3.27Å; S303-G309 WeakPolarHBondContact OG-CA 3.44Å; S303-D310 VanDerWaalsContact CB-N 3.32Å; S303-D310 WeakPolarHBondContact CB-OD1 3.46Å; S303-D310 PolarHBondContact N-OD1 3.14Å; S303-E313 WeakPolarHBondContact CB-OE1 3.28Å; S303-E313 PolarHBondContact OG-OE1 2.85Å
304	K	93.2	Very high	96.7	Very high	162 Å²	162	45.3 Å²	45.3	70%	0.704	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.5	171.9	-67.8	-176.1	178	-179.1	0	112.7	T49 G306	T49-K304 HydrophobicContact CG2-CD 4.13Å; K304-G306 VanDerWaalsContact C-N 3.33Å
305	H	92.7	Very high	96.8	Very high	64 Å²	64	44.7 Å²	44.7	30%	0.296	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	27.7	-177.8	-70.8	-143.8	0	0	0	111.3	T49 L50 S303 G309	T49-H305 PolarHBondContact OG1-NE2 3.49Å; L50-H305 HydrophobicContact CD2-CB 3.69Å; L50-H305 HydrophobicContact CG-CB 4.45Å; S303-H305 PolarHBondContact O-N 2.95Å; S303-H305 PolarHBondContact OG-N 2.86Å; H305-G309 PolarHBondContact O-N 3.47Å
306	G	94.1	Very high	96.9	Very high	41 Å²	41	43.1 Å²	43.1	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	58.2	-150.1	-178.5	0	0	0	0	0	112.6	K304 Y308 G309 D310	K304-G306 VanDerWaalsContact C-N 3.33Å; G306-Y308 PolarHBondContact O-N 2.75Å; G306-G309 PolarHBondContact O-N 3.31Å; G306-G309 VanDerWaalsContact O-N 3.11Å; G306-D310 PolarHBondContact O-N 3.43Å
307	V	95.1	Very high	97	Very high	63 Å²	63	46.1 Å²	46.1	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-26.5	-177.2	-69.2	0	0	0	0	113.7	L293 A311	L293-V307 HydrophobicContact CB-CB 4.38Å; L293-V307 HydrophobicContact CB-CG2 4.32Å; L293-V307 HydrophobicContact CD1-CB 4.35Å; L293-V307 HydrophobicContact CD1-CG2 3.67Å; V307-A311 PolarHBondContact O-N 2.92Å
308	Y	97	Very high	97	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-49.5	173.8	175.6	-96.6	0	0	0	110	D41 L50 V289 L293 G306 D310 A311 V312 H357 G359	D41-Y308 VanDerWaalsContact CG-OH 3.29Å; D41-Y308 PolarHBondContact OD2-OH 3.38Å; L50-Y308 HydrophobicContact CD1-CE1 4.46Å; V289-Y308 HydrophobicContact CB-CD2 4.23Å; V289-Y308 HydrophobicContact CB-CE2 3.69Å; V289-Y308 HydrophobicContact CG2-CD2 4.41Å; V289-Y308 HydrophobicContact CG2-CE2 3.42Å; V289-Y308 VanDerWaalsContact CG2-CE2 3.42Å; L293-Y308 HydrophobicContact CD1-CD2 4.5Å; L293-Y308 HydrophobicContact CD2-CD2 4.1Å; G306-Y308 PolarHBondContact O-N 2.75Å; Y308-D310 VanDerWaalsContact C-N 3.32Å; Y308-D310 PolarHBondContact O-N 2.91Å; Y308-A311 WeakPolarHBondContact O-CB 3.42Å; Y308-A311 PolarHBondContact O-N 3.22Å; Y308-A311 VanDerWaalsContact O-N 3.16Å; Y308-V312 HydrophobicContact CD1-CG2 3.93Å; Y308-V312 HydrophobicContact CE1-CG2 3.46Å; Y308-V312 VanDerWaalsContact CE1-CG2 3.46Å; Y308-V312 HydrophobicContact CE2-CG2 4.3Å; Y308-V312 WeakPolarHBondContact O-CG2 3.39Å; Y308-V312 PolarHBondContact O-N 2.96Å; Y308-H357 WeakPolarHBondContact CD2-O 3.47Å; Y308-G359 VanDerWaalsContact CE1-CA 3.48Å; Y308-G359 WeakPolarHBondContact OH-CA 3.18Å
309	G	97.6	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-38.4	176.9	0	0	0	0	0	113.1	L50 S303 H305 G306 A311 V312 E313	L50-G309 VanDerWaalsContact CD2-CA 3.47Å; S303-G309 VanDerWaalsContact OG-CA 3.27Å; S303-G309 WeakPolarHBondContact OG-CA 3.44Å; H305-G309 PolarHBondContact O-N 3.47Å; G306-G309 PolarHBondContact O-N 3.31Å; G306-G309 VanDerWaalsContact O-N 3.11Å; G309-A311 VanDerWaalsContact C-N 3.26Å; G309-A311 PolarHBondContact O-N 3.1Å; G309-V312 PolarHBondContact O-N 3.26Å; G309-E313 WeakPolarHBondContact O-CB 3.36Å; G309-E313 VanDerWaalsContact O-CG 3.24Å; G309-E313 WeakPolarHBondContact O-CG 3.41Å; G309-E313 PolarHBondContact O-N 2.81Å
310	D	97.9	Very high	97.2	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-39.9	175.1	-63.9	-24.1	0	0	0	111.5	F299 G301 K302 S303 G306 Y308 E314	F299-D310 HydrophobicContact CB-CB 4.49Å; G301-D310 PolarHBondContact N-OD2 3.47Å; K302-D310 PolarHBondContact N-OD1 2.85Å; K302-D310 VanDerWaalsContact N-OD1 3.09Å; S303-D310 VanDerWaalsContact CB-N 3.32Å; S303-D310 WeakPolarHBondContact CB-OD1 3.46Å; S303-D310 PolarHBondContact N-OD1 3.14Å; G306-D310 PolarHBondContact O-N 3.43Å; Y308-D310 VanDerWaalsContact C-N 3.32Å; Y308-D310 PolarHBondContact O-N 2.91Å; D310-E314 WeakPolarHBondContact O-CB 3.16Å; D310-E314 PolarHBondContact O-N 3.24Å
311	A	98.4	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.9	-42.8	176.3	0	0	0	0	0	112.5	H288 V289 L293 V307 Y308 G309 E314 M315	H288-A311 PolarHBondContact CD2-O 3.3Å; V289-A311 HydrophobicContact CG1-CB 4.02Å; L293-A311 HydrophobicContact CD2-CB 4.18Å; V307-A311 PolarHBondContact O-N 2.92Å; Y308-A311 WeakPolarHBondContact O-CB 3.42Å; Y308-A311 PolarHBondContact O-N 3.22Å; Y308-A311 VanDerWaalsContact O-N 3.16Å; G309-A311 VanDerWaalsContact C-N 3.26Å; G309-A311 PolarHBondContact O-N 3.1Å; A311-E314 PolarHBondContact O-N 3.13Å; A311-M315 WeakPolarHBondContact O-CB 3.49Å; A311-M315 PolarHBondContact O-N 2.93Å
312	V	98.6	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-48	175.2	176.4	0	0	0	0	110.8	L37 L50 T52 V289 Y308 G309 E314 M315 D316	L37-V312 HydrophobicContact CD1-CG1 4.24Å; L37-V312 HydrophobicContact CD1-CG2 4.05Å; L50-V312 HydrophobicContact CD1-CG1 4.45Å; T52-V312 HydrophobicContact CG2-CG1 3.71Å; V289-V312 HydrophobicContact CB-CG2 4.43Å; V289-V312 HydrophobicContact CG1-CB 4.35Å; V289-V312 HydrophobicContact CG1-CG2 3.67Å; V289-V312 HydrophobicContact CG2-CG2 4.47Å; Y308-V312 HydrophobicContact CD1-CG2 3.93Å; Y308-V312 HydrophobicContact CE1-CG2 3.46Å; Y308-V312 VanDerWaalsContact CE1-CG2 3.46Å; Y308-V312 HydrophobicContact CE2-CG2 4.3Å; Y308-V312 WeakPolarHBondContact O-CG2 3.39Å; Y308-V312 PolarHBondContact O-N 2.96Å; G309-V312 PolarHBondContact O-N 3.26Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 3.06Å; V312-M315 HydrophobicContact CG1-CE 4.47Å; V312-M315 PolarHBondContact O-N 3.29Å; V312-D316 PolarHBondContact O-N 2.8Å
313	E	98.7	Very high	97.5	Very high	11 Å²	11	25.4 Å²	25.4	5%	0.051	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-35.8	-179.4	-67.4	-176.5	-150.3	0	0	111.3	R51 F299 S303 G309 D316 W317	R51-E313 HydrophobicContact CB-CG 3.87Å; R51-E313 WeakPolarHBondContact CD-OE2 3.36Å; R51-E313 IonicContact CZ-OE2 3.2Å; R51-E313 IonicContact NE-OE2 3.92Å; R51-E313 IonicContact NH1-OE1 3.58Å; R51-E313 IonicContact NH1-OE2 3.86Å; R51-E313 PolarHBondContact NH1-OE2 3.03Å; R51-E313 WeakPolarHBondContact O-CG 3.18Å; F299-E313 HydrophobicContact CD1-CB 3.85Å; F299-E313 HydrophobicContact CE1-CB 4.16Å; F299-E313 WeakPolarHBondContact CE1-O 3.16Å; S303-E313 WeakPolarHBondContact CB-OE1 3.28Å; S303-E313 PolarHBondContact OG-OE1 2.85Å; G309-E313 WeakPolarHBondContact O-CB 3.36Å; G309-E313 VanDerWaalsContact O-CG 3.24Å; G309-E313 WeakPolarHBondContact O-CG 3.41Å; G309-E313 PolarHBondContact O-N 2.81Å; E313-D316 PolarHBondContact O-N 3.04Å; E313-W317 PolarHBondContact O-N 3.2Å
314	E	98.9	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-40.9	173.9	-173.7	179.6	-122.5	0	0	112.4	T261 Q262 H288 S296 F299 D310 A311 V312 D316 W317 S318	T261-E314 WeakPolarHBondContact CB-OE2 2.99Å; T261-E314 HydrophobicContact CG2-CG 4Å; T261-E314 PolarHBondContact OG1-OE2 3.16Å; Q262-E314 PolarHBondContact NE2-OE1 3.49Å; H288-E314 IonicContact CD2-OE2 3.42Å; H288-E314 IonicContact CE1-OE2 2.7Å; H288-E314 IonicContact NE2-OE2 3.92Å; H288-E314 PolarHBondContact NE2-OE2 3.28Å; S296-E314 WeakPolarHBondContact CA-OE1 3.49Å; S296-E314 WeakPolarHBondContact CB-OE1 3.31Å; S296-E314 PolarHBondContact N-OE1 2.93Å; S296-E314 PolarHBondContact OG-OE1 3.45Å; F299-E314 HydrophobicContact CB-CB 4.21Å; F299-E314 HydrophobicContact CD1-CB 4.07Å; F299-E314 HydrophobicContact CD2-CB 3.8Å; F299-E314 HydrophobicContact CD2-CG 3.77Å; F299-E314 HydrophobicContact CE1-CB 4.46Å; F299-E314 HydrophobicContact CE2-CB 4.22Å; F299-E314 HydrophobicContact CE2-CG 4.04Å; F299-E314 HydrophobicContact CG-CB 3.73Å; F299-E314 HydrophobicContact CG-CG 4.24Å; D310-E314 WeakPolarHBondContact O-CB 3.16Å; D310-E314 PolarHBondContact O-N 3.24Å; A311-E314 PolarHBondContact O-N 3.13Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 3.06Å; E314-D316 VanDerWaalsContact C-N 3.34Å; E314-W317 HydrophobicContact CG-CE3 4.41Å; E314-W317 WeakPolarHBondContact O-CB 3.07Å; E314-W317 PolarHBondContact O-N 3.38Å; E314-S318 PolarHBondContact O-N 3.23Å
315	M	98.8	Very high	97.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-43.5	173.9	176.5	-169	68	0	0	111.1	A34 L37 I55 Y286 H288 A311 V312 W317 S318 V319 F339	A34-M315 HydrophobicContact CB-CE 4.19Å; A34-M315 HydrophobicContact CB-SD 3.53Å; A34-M315 VanDerWaalsContact CB-SD 3.53Å; L37-M315 HydrophobicContact CD1-CE 4.2Å; L37-M315 HydrophobicContact CD2-CE 3.85Å; I55-M315 HydrophobicContact CD1-CE 4.06Å; Y286-M315 HydrophobicContact CD2-CG 3.64Å; Y286-M315 HydrophobicContact CD2-SD 4.06Å; Y286-M315 HydrophobicContact CE2-CG 3.82Å; Y286-M315 HydrophobicContact CG-CG 4.12Å; H288-M315 HydrophobicContact CB-CB 4.03Å; H288-M315 HydrophobicContact CB-CG 4.39Å; H288-M315 HydrophobicContact CB-SD 4.34Å; A311-M315 WeakPolarHBondContact O-CB 3.49Å; A311-M315 PolarHBondContact O-N 2.93Å; V312-M315 HydrophobicContact CG1-CE 4.47Å; V312-M315 PolarHBondContact O-N 3.29Å; M315-W317 VanDerWaalsContact C-N 3.32Å; M315-W317 PolarHBondContact O-N 3.04Å; M315-S318 WeakPolarHBondContact O-CB 3.45Å; M315-S318 PolarHBondContact O-N 3.31Å; M315-S318 VanDerWaalsContact O-N 3.13Å; M315-V319 PolarHBondContact O-N 3.22Å; M315-F339 HydrophobicContact CE-CZ 4.14Å
316	D	98.9	Very high	98.2	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-42.9	174.7	-179.4	86.1	0	0	0	111.8	T52 P53 N54 I55 V312 E313 E314 S318 V319 G320	T52-D316 VanDerWaalsContact C-CG 3.43Å; T52-D316 WeakPolarHBondContact CA-OD1 3.45Å; T52-D316 HydrophobicContact CG2-CB 4.43Å; P53-D316 WeakPolarHBondContact CD-OD2 3.32Å; N54-D316 WeakPolarHBondContact CB-O 2.96Å; N54-D316 WeakPolarHBondContact CB-OD2 3.41Å; N54-D316 PolarHBondContact N-OD1 3.05Å; N54-D316 PolarHBondContact N-OD2 2.91Å; N54-D316 PolarHBondContact ND2-O 2.8Å; N54-D316 PolarHBondContact ND2-OD2 3.36Å; I55-D316 WeakPolarHBondContact CB-OD1 3.42Å; I55-D316 HydrophobicContact CD1-CB 4.12Å; I55-D316 VanDerWaalsContact CG1-OD1 3.28Å; I55-D316 WeakPolarHBondContact CG1-OD1 3.45Å; I55-D316 PolarHBondContact N-OD1 3.35Å; V312-D316 PolarHBondContact O-N 2.8Å; E313-D316 PolarHBondContact O-N 3.04Å; E314-D316 VanDerWaalsContact C-N 3.34Å; D316-S318 VanDerWaalsContact C-N 3.3Å; D316-S318 PolarHBondContact O-N 2.74Å; D316-V319 WeakPolarHBondContact O-CB 3.48Å; D316-V319 PolarHBondContact O-N 2.82Å; D316-G320 PolarHBondContact O-N 2.97Å
317	W	98.9	Very high	98.4	Very high	70 Å²	70	19.8 Å²	19.8	27%	0.265	10%	0.1	S	C	.	.	H	α-helix	trans	-56.5	-44.4	173.3	160.9	85.7	0	0	0	112.2	Q262 T265 F299 E313 E314 M315 V319 G320 Q321	Q262-W317 HydrophobicContact CB-CH2 4.15Å; Q262-W317 HydrophobicContact CB-CZ3 4.42Å; Q262-W317 HydrophobicContact CG-CH2 3.65Å; Q262-W317 HydrophobicContact CG-CZ3 3.86Å; T265-W317 HydrophobicContact CG2-CH2 4.34Å; F299-W317 HydrophobicContact CE1-CB 4.07Å; F299-W317 HydrophobicContact CE2-CB 4.17Å; F299-W317 HydrophobicContact CE2-CD2 4.34Å; F299-W317 HydrophobicContact CE2-CG 4.1Å; F299-W317 HydrophobicContact CZ-CB 3.39Å; F299-W317 HydrophobicContact CZ-CD2 4.37Å; F299-W317 AromaticContact CZ-CG 3.67Å; F299-W317 HydrophobicContact CZ-CG 3.67Å; E313-W317 PolarHBondContact O-N 3.2Å; E314-W317 HydrophobicContact CG-CE3 4.41Å; E314-W317 WeakPolarHBondContact O-CB 3.07Å; E314-W317 PolarHBondContact O-N 3.38Å; M315-W317 VanDerWaalsContact C-N 3.32Å; M315-W317 PolarHBondContact O-N 3.04Å; W317-V319 VanDerWaalsContact C-N 3.34Å; W317-V319 PolarHBondContact O-N 2.86Å; W317-G320 CarbonylContact O-C 3.54Å; W317-G320 WeakPolarHBondContact O-CA 3.39Å; W317-G320 PolarHBondContact O-N 3.3Å; W317-Q321 HydrophobicContact CD2-CG 4.15Å; W317-Q321 HydrophobicContact CH2-CG 4.13Å; W317-Q321 HydrophobicContact CZ2-CG 3.56Å; W317-Q321 WeakPolarHBondContact O-CG 3.35Å; W317-Q321 PolarHBondContact O-N 2.93Å
318	S	98.9	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-41.3	177.7	178.5	0	0	0	0	111.6	T265 Y286 E314 M315 D316 G320 Q321 I322	T265-S318 VanDerWaalsContact OG1-CB 3.32Å; T265-S318 WeakPolarHBondContact OG1-CB 3.33Å; T265-S318 PolarHBondContact OG1-OG 3.29Å; Y286-S318 WeakPolarHBondContact CE1-OG 3.5Å; Y286-S318 VanDerWaalsContact OH-CB 3.29Å; Y286-S318 WeakPolarHBondContact OH-CB 3.37Å; Y286-S318 PolarHBondContact OH-OG 3.32Å; E314-S318 PolarHBondContact O-N 3.23Å; M315-S318 WeakPolarHBondContact O-CB 3.45Å; M315-S318 PolarHBondContact O-N 3.31Å; M315-S318 VanDerWaalsContact O-N 3.13Å; D316-S318 VanDerWaalsContact C-N 3.3Å; D316-S318 PolarHBondContact O-N 2.74Å; S318-G320 VanDerWaalsContact C-N 3.3Å; S318-G320 PolarHBondContact O-N 2.66Å; S318-Q321 PolarHBondContact O-N 2.77Å; S318-I322 PolarHBondContact O-N 3.26Å
319	V	98.9	Very high	98.7	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-46.1	171.3	174.2	0	0	0	0	110.4	V32 N54 I55 L58 Y286 M315 D316 W317 Q321 I322 L323 F339	V32-V319 HydrophobicContact CG1-CG2 4.18Å; N54-V319 HydrophobicContact CB-CG1 4.47Å; I55-V319 HydrophobicContact CG1-CB 4.49Å; I55-V319 HydrophobicContact CG1-CG1 4.39Å; I55-V319 HydrophobicContact CG1-CG2 4.36Å; L58-V319 HydrophobicContact CD1-CG1 4.33Å; Y286-V319 HydrophobicContact CE2-CG2 4.13Å; Y286-V319 PolarHBondContact OH-N 2.81Å; M315-V319 PolarHBondContact O-N 3.22Å; D316-V319 WeakPolarHBondContact O-CB 3.48Å; D316-V319 PolarHBondContact O-N 2.82Å; W317-V319 VanDerWaalsContact C-N 3.34Å; W317-V319 PolarHBondContact O-N 2.86Å; V319-Q321 VanDerWaalsContact C-N 3.34Å; V319-Q321 PolarHBondContact O-N 3.07Å; V319-I322 PolarHBondContact O-N 3.01Å; V319-L323 HydrophobicContact CG1-CD1 4.06Å; V319-L323 HydrophobicContact CG1-CG 4.27Å; V319-L323 WeakPolarHBondContact O-CG 2.95Å; V319-L323 PolarHBondContact O-N 3.3Å; V319-F339 HydrophobicContact CG2-CD2 4.43Å; V319-F339 HydrophobicContact CG2-CE2 4.29Å
320	G	98.8	Very high	98.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-56.5	-42.6	175.9	0	0	0	0	0	114	N54 D316 W317 S318 I322 L323 N324	N54-G320 VanDerWaalsContact OD1-CA 3.23Å; N54-G320 WeakPolarHBondContact OD1-CA 3.17Å; D316-G320 PolarHBondContact O-N 2.97Å; W317-G320 CarbonylContact O-C 3.54Å; W317-G320 WeakPolarHBondContact O-CA 3.39Å; W317-G320 PolarHBondContact O-N 3.3Å; S318-G320 VanDerWaalsContact C-N 3.3Å; S318-G320 PolarHBondContact O-N 2.66Å; G320-I322 PolarHBondContact O-N 3.48Å; G320-L323 PolarHBondContact O-N 3.45Å; G320-N324 WeakPolarHBondContact O-CB 2.93Å; G320-N324 PolarHBondContact O-N 3.42Å; G320-N324 PolarHBondContact O-ND2 3.27Å; G320-N324 PolarHBondContact O-OD1 3.43Å
321	Q	98.9	Very high	98.7	Very high	82 Å²	82	37.4 Å²	37.4	38%	0.383	17%	0.17	S	C	.	.	H	α-helix	trans	-60.9	-44.6	176.9	-66	-54.3	-70.1	0	0	111.9	T265 W317 S318 V319 N324 L325	T265-Q321 HydrophobicContact CG2-CB 3.55Å; T265-Q321 HydrophobicContact CG2-CG 4Å; W317-Q321 HydrophobicContact CD2-CG 4.15Å; W317-Q321 HydrophobicContact CH2-CG 4.13Å; W317-Q321 HydrophobicContact CZ2-CG 3.56Å; W317-Q321 WeakPolarHBondContact O-CG 3.35Å; W317-Q321 PolarHBondContact O-N 2.93Å; S318-Q321 PolarHBondContact O-N 2.77Å; V319-Q321 VanDerWaalsContact C-N 3.34Å; V319-Q321 PolarHBondContact O-N 3.07Å; Q321-N324 PolarHBondContact O-N 3.28Å; Q321-L325 WeakPolarHBondContact O-CB 3.41Å; Q321-L325 PolarHBondContact O-N 2.87Å
322	I	98.8	Very high	98.7	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-43.9	177.7	-60.9	-55.2	0	0	0	111.1	I30 T265 A268 A269 I272 L284 S318 V319 G320 N324 L325 L326	I30-I322 HydrophobicContact CD1-CG2 3.98Å; T265-I322 HydrophobicContact CG2-CD1 4.38Å; A268-I322 HydrophobicContact CB-CD1 3.76Å; A269-I322 HydrophobicContact CB-CD1 4.5Å; I272-I322 HydrophobicContact CD1-CD1 4.34Å; I272-I322 HydrophobicContact CD1-CG2 3.8Å; L284-I322 HydrophobicContact CD2-CG1 4.1Å; S318-I322 PolarHBondContact O-N 3.26Å; V319-I322 PolarHBondContact O-N 3.01Å; G320-I322 PolarHBondContact O-N 3.48Å; I322-N324 PolarHBondContact O-N 2.93Å; I322-L325 PolarHBondContact O-N 2.86Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 2.75Å
323	L	98.8	Very high	98.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-44.5	177.5	-67.9	-179.6	0	0	0	112	V319 G320 L325 L326 D327 I337	V319-L323 HydrophobicContact CG1-CD1 4.06Å; V319-L323 HydrophobicContact CG1-CG 4.27Å; V319-L323 WeakPolarHBondContact O-CG 2.95Å; V319-L323 PolarHBondContact O-N 3.3Å; G320-L323 PolarHBondContact O-N 3.45Å; L323-L325 VanDerWaalsContact C-N 3.32Å; L323-L325 PolarHBondContact O-N 3Å; L323-L326 PolarHBondContact O-N 3.05Å; L323-D327 PolarHBondContact O-N 3.46Å; L323-D327 VanDerWaalsContact O-N 3.09Å; L323-I337 HydrophobicContact CD2-CD1 3.36Å
324	N	98.8	Very high	98.6	Very high	77 Å²	77	45.4 Å²	45.4	41%	0.412	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-37.8	179.1	-65.2	-8.4	0	0	0	111.7	R57 G320 Q321 I322 D327 E328	R57-N324 PolarHBondContact NH2-OD1 3.09Å; G320-N324 WeakPolarHBondContact O-CB 2.93Å; G320-N324 PolarHBondContact O-N 3.42Å; G320-N324 PolarHBondContact O-ND2 3.27Å; G320-N324 PolarHBondContact O-OD1 3.43Å; Q321-N324 PolarHBondContact O-N 3.28Å; I322-N324 PolarHBondContact O-N 2.93Å; N324-D327 PolarHBondContact O-N 3.03Å; N324-E328 WeakPolarHBondContact O-CB 3.38Å; N324-E328 PolarHBondContact O-N 3.12Å
325	L	98.9	Very high	98.6	Very high	12 Å²	12	45.4 Å²	45.4	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-40	175	179.7	66.2	0	0	0	112	A269 I272 Q273 Q321 I322 L323 D327 E328 L329	A269-L325 VanDerWaalsContact CA-CD2 3.47Å; A269-L325 HydrophobicContact CB-CD2 3.56Å; I272-L325 HydrophobicContact CB-CD2 4.17Å; I272-L325 HydrophobicContact CD1-CD2 4.3Å; I272-L325 HydrophobicContact CG2-CD2 4.29Å; Q273-L325 HydrophobicContact CG-CD1 4.14Å; Q273-L325 HydrophobicContact CG-CD2 4.33Å; Q321-L325 WeakPolarHBondContact O-CB 3.41Å; Q321-L325 PolarHBondContact O-N 2.87Å; I322-L325 PolarHBondContact O-N 2.86Å; L323-L325 VanDerWaalsContact C-N 3.32Å; L323-L325 PolarHBondContact O-N 3Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 3.28Å; L325-E328 PolarHBondContact O-N 3.05Å; L325-L329 HydrophobicContact CD1-CD1 3.74Å; L325-L329 HydrophobicContact CD1-CG 3.97Å; L325-L329 HydrophobicContact CD2-CD1 4.43Å; L325-L329 HydrophobicContact CG-CD1 3.79Å; L325-L329 HydrophobicContact CG-CG 4.33Å; L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.02Å
326	L	98.8	Very high	98.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-35.6	174.9	-66.7	173.6	0	0	0	112.2	I30 I272 F280 I322 L323 R330 L331 A332 T335 I337	I30-L326 HydrophobicContact CD1-CD1 3.81Å; I30-L326 HydrophobicContact CD1-CD2 4.11Å; I30-L326 HydrophobicContact CD1-CG 4.36Å; I272-L326 HydrophobicContact CD1-CD2 4.37Å; I272-L326 HydrophobicContact CG2-CD2 4.06Å; F280-L326 HydrophobicContact CZ-CD2 4.35Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 2.75Å; L323-L326 PolarHBondContact O-N 3.05Å; L326-R330 CarbonylContact O-C 3.48Å; L326-R330 WeakPolarHBondContact O-CA 3.28Å; L326-R330 PolarHBondContact O-N 3.15Å; L326-R330 VanDerWaalsContact O-N 3.07Å; L326-L331 HydrophobicContact CD2-CB 3.92Å; L326-L331 HydrophobicContact CD2-CD1 4.42Å; L326-L331 PolarHBondContact O-N 2.89Å; L326-A332 HydrophobicContact CB-CB 4.01Å; L326-A332 PolarHBondContact O-N 2.78Å; L326-T335 HydrophobicContact CD1-CG2 4.13Å; L326-T335 HydrophobicContact CD2-CG2 4.45Å; L326-I337 HydrophobicContact CD1-CD1 3.48Å; L326-I337 VanDerWaalsContact CD1-CD1 3.48Å; L326-I337 HydrophobicContact CD1-CG1 4.3Å
327	D	98.5	Very high	98.6	Very high	73 Å²	73	45.5 Å²	45.5	39%	0.39	22%	0.215	S	C	.	.	H	α-helix	trans	-67.6	-44.2	174.9	-65.6	-31.8	0	0	0	110.2	R57 L323 N324 L325 R330 A332	R57-D327 IonicContact NH1-OD2 3.74Å; R57-D327 PolarHBondContact NH1-OD2 3.2Å; L323-D327 PolarHBondContact O-N 3.46Å; L323-D327 VanDerWaalsContact O-N 3.09Å; N324-D327 PolarHBondContact O-N 3.03Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 3.28Å; D327-R330 PolarHBondContact O-N 2.8Å; D327-A332 VanDerWaalsContact OD1-CB 3.24Å; D327-A332 WeakPolarHBondContact OD1-CB 3.43Å
328	E	98.6	Very high	98.6	Very high	146 Å²	146	42.2 Å²	42.2	68%	0.682	20%	0.203	S	C	*	.	H	α-helix	trans	-59.7	-48.1	176.2	-177.4	-175.9	164.9	0	0	112.3	N324 L325 R330	N324-E328 WeakPolarHBondContact O-CB 3.38Å; N324-E328 PolarHBondContact O-N 3.12Å; L325-E328 PolarHBondContact O-N 3.05Å; E328-R330 PolarHBondContact O-N 2.94Å
329	L	98.4	Very high	98.6	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.267	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-0.9	179.4	-60.7	175.1	0	0	0	113	I272 Q273 T276 L325 L331	I272-L329 HydrophobicContact CG2-CD1 3.79Å; Q273-L329 HydrophobicContact CG-CD1 4.09Å; T276-L329 HydrophobicContact CG2-CD1 3.96Å; T276-L329 HydrophobicContact CG2-CD2 4.17Å; T276-L329 HydrophobicContact CG2-CG 4.47Å; L325-L329 HydrophobicContact CD1-CD1 3.74Å; L325-L329 HydrophobicContact CD1-CG 3.97Å; L325-L329 HydrophobicContact CD2-CD1 4.43Å; L325-L329 HydrophobicContact CG-CD1 3.79Å; L325-L329 HydrophobicContact CG-CG 4.33Å; L325-L329 WeakPolarHBondContact O-CB 3.42Å; L325-L329 VanDerWaalsContact O-CG 3.3Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.02Å; L329-L331 HydrophobicContact CB-CD1 3.92Å; L329-L331 HydrophobicContact CB-CG 3.89Å; L329-L331 HydrophobicContact CD1-CD1 4.18Å; L329-L331 PolarHBondContact O-N 2.78Å
330	R	98.4	Very high	98.6	Very high	223 Å²	223	42 Å²	42	84%	0.842	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	29	-177.4	-54.8	-179.8	177.3	179.3	-1	114.2	L326 D327 E328	L326-R330 CarbonylContact O-C 3.48Å; L326-R330 WeakPolarHBondContact O-CA 3.28Å; L326-R330 PolarHBondContact O-N 3.15Å; L326-R330 VanDerWaalsContact O-N 3.07Å; D327-R330 PolarHBondContact O-N 2.8Å; E328-R330 PolarHBondContact O-N 2.94Å
331	L	98.5	Very high	98.6	Very high	23 Å²	23	42 Å²	42	12%	0.12	20%	0.201	C	C	.	.			trans	-91.5	-17.5	178.3	-61.4	176.7	0	0	0	112.5	I272 T276 F280 L326 L329 N333 D334 T335	I272-L331 HydrophobicContact CG2-CD1 3.92Å; T276-L331 HydrophobicContact CG2-CD1 4.34Å; F280-L331 HydrophobicContact CE1-CD1 4.11Å; L326-L331 HydrophobicContact CD2-CB 3.92Å; L326-L331 HydrophobicContact CD2-CD1 4.42Å; L326-L331 PolarHBondContact O-N 2.89Å; L329-L331 HydrophobicContact CB-CD1 3.92Å; L329-L331 HydrophobicContact CB-CG 3.89Å; L329-L331 HydrophobicContact CD1-CD1 4.18Å; L329-L331 PolarHBondContact O-N 2.78Å; L331-N333 VanDerWaalsContact C-N 3.27Å; L331-N333 PolarHBondContact O-N 3.11Å; L331-N333 VanDerWaalsContact O-N 3.14Å; L331-D334 CarbonylContact O-C 3.55Å; L331-D334 PolarHBondContact O-N 3.05Å; L331-T335 PolarHBondContact O-N 3.27Å; L331-T335 PolarHBondContact O-OG1 3.08Å
332	A	98.2	Very high	98.6	Very high	9 Å²	9	38.1 Å²	38.1	7%	0.074	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-54.2	-38.6	-171.6	0	0	0	0	0	114.1	L326 D327 D334 T335 P385	L326-A332 HydrophobicContact CB-CB 4.01Å; L326-A332 PolarHBondContact O-N 2.78Å; D327-A332 VanDerWaalsContact OD1-CB 3.24Å; D327-A332 WeakPolarHBondContact OD1-CB 3.43Å; A332-D334 VanDerWaalsContact C-N 3.33Å; A332-D334 PolarHBondContact O-N 3.06Å; A332-T335 PolarHBondContact O-N 3Å; A332-P385 WeakPolarHBondContact O-CD 3.44Å
333	N	97.4	Very high	98.6	Very high	106 Å²	106	37.8 Å²	37.8	57%	0.567	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-66.7	-32.7	-178.8	-75.8	-29.6	0	0	0	113	L331 W384 P385 R386	L331-N333 VanDerWaalsContact C-N 3.27Å; L331-N333 PolarHBondContact O-N 3.11Å; L331-N333 VanDerWaalsContact O-N 3.14Å; N333-W384 VanDerWaalsContact O-CD1 3.24Å; N333-W384 PolarHBondContact O-NE1 3.48Å; N333-P385 WeakPolarHBondContact OD1-CB 3.45Å; N333-R386 WeakPolarHBondContact O-CB 3.37Å; N333-R386 PolarHBondContact O-N 2.88Å
334	D	97.4	Very high	98.5	Very high	63 Å²	63	37.7 Å²	37.7	34%	0.337	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-110.5	32.5	-178.8	-155.8	45.3	0	0	0	112.7	P27 N28 L331 A332 R386	P27-D334 WeakPolarHBondContact CA-O 3.47Å; P27-D334 WeakPolarHBondContact CB-O 3.42Å; N28-D334 PolarHBondContact N-O 3.49Å; L331-D334 CarbonylContact O-C 3.55Å; L331-D334 PolarHBondContact O-N 3.05Å; A332-D334 VanDerWaalsContact C-N 3.33Å; A332-D334 PolarHBondContact O-N 3.06Å; D334-R386 IonicContact OD1-CZ 3.64Å; D334-R386 VanDerWaalsContact OD1-CZ 3.25Å; D334-R386 IonicContact OD1-NE 2.72Å; D334-R386 PolarHBondContact OD1-NE 3.27Å; D334-R386 IonicContact OD1-NH2 2.62Å; D334-R386 PolarHBondContact OD1-NH2 3.19Å
335	T	98.7	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.5	175.2	-55.1	0	0	0	0	109.6	N28 I30 L326 L331 A332 I337	N28-T335 HydrophobicContact CB-CG2 3.82Å; N28-T335 CarbonylContact O-C 3.51Å; N28-T335 VanDerWaalsContact O-CA 3.31Å; N28-T335 WeakPolarHBondContact O-CA 3.22Å; I30-T335 HydrophobicContact CD1-CG2 3.98Å; I30-T335 HydrophobicContact CG1-CG2 3.86Å; L326-T335 HydrophobicContact CD1-CG2 4.13Å; L326-T335 HydrophobicContact CD2-CG2 4.45Å; L331-T335 PolarHBondContact O-N 3.27Å; L331-T335 PolarHBondContact O-OG1 3.08Å; A332-T335 PolarHBondContact O-N 3Å; T335-I337 HydrophobicContact CG2-CG1 3.92Å
336	L	98.8	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.5	164.4	175.4	66.1	0	0	0	108.8	N28 I29 I30 L382 W384 I388 L410	N28-L336 PolarHBondContact O-N 2.87Å; I29-L336 WeakPolarHBondContact CA-O 3.41Å; I30-L336 PolarHBondContact N-O 2.91Å; L336-L382 HydrophobicContact CD1-CD2 4.16Å; L336-W384 HydrophobicContact CB-CD2 4.35Å; L336-W384 HydrophobicContact CB-CE3 4.37Å; L336-W384 HydrophobicContact CB-CG 4.45Å; L336-W384 HydrophobicContact CD1-CB 3.93Å; L336-W384 HydrophobicContact CD1-CE3 4.36Å; L336-I388 HydrophobicContact CD1-CD1 3.96Å; L336-L410 HydrophobicContact CD2-CD1 3.45Å; L336-L410 VanDerWaalsContact CD2-CD1 3.45Å
337	I	98.9	Very high	98.3	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.5	174.4	-48.2	178.4	0	0	0	108.6	I30 V32 L58 L323 L326 T335 L382 R383	I30-I337 HydrophobicContact CB-CG1 4.42Å; I30-I337 HydrophobicContact CB-CG2 4.35Å; I30-I337 HydrophobicContact CG2-CG2 4.43Å; I30-I337 CarbonylContact O-C 3.28Å; I30-I337 WeakPolarHBondContact O-CA 3.26Å; V32-I337 HydrophobicContact CG2-CG2 4.48Å; L58-I337 HydrophobicContact CD1-CG2 3.83Å; L323-I337 HydrophobicContact CD2-CD1 3.36Å; L326-I337 HydrophobicContact CD1-CD1 3.48Å; L326-I337 VanDerWaalsContact CD1-CD1 3.48Å; L326-I337 HydrophobicContact CD1-CG1 4.3Å; T335-I337 HydrophobicContact CG2-CG1 3.92Å; I337-L382 CarbonylContact O-C 3.52Å; I337-L382 VanDerWaalsContact O-CA 3.32Å; I337-L382 WeakPolarHBondContact O-CA 3.42Å; I337-R383 PolarHBondContact N-O 2.93Å; I337-R383 PolarHBondContact O-N 2.02Å
338	Y	98.9	Very high	98.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.8	173.4	166	-110.3	0	0	0	109.7	I30 L31 V32 H68 F82 T340 I381 L382 N400 I403	I30-Y338 PolarHBondContact O-N 2.74Å; L31-Y338 HydrophobicContact CB-CD1 4.43Å; L31-Y338 HydrophobicContact CD2-CD1 4.11Å; L31-Y338 HydrophobicContact CD2-CG 4.43Å; V32-Y338 WeakPolarHBondContact CB-O 3.35Å; V32-Y338 PolarHBondContact N-O 3.05Å; H68-Y338 AromaticContact NE2-CE2 3.49Å; H68-Y338 WeakPolarHBondContact NE2-CE2 3.17Å; H68-Y338 AromaticContact NE2-CZ 3.48Å; H68-Y338 PolarHBondContact NE2-OH 2.71Å; F82-Y338 HydrophobicContact CE2-CD1 4.3Å; F82-Y338 AromaticContact CE2-CE1 3.69Å; F82-Y338 HydrophobicContact CE2-CE1 3.69Å; Y338-T340 HydrophobicContact CD1-CG2 4.34Å; Y338-T340 HydrophobicContact CE1-CG2 3.32Å; Y338-T340 HydrophobicContact CE2-CG2 4.5Å; Y338-T340 VanDerWaalsContact CZ-CG2 3.46Å; Y338-T340 WeakPolarHBondContact OH-CB 3.46Å; Y338-T340 VanDerWaalsContact OH-CG2 3.22Å; Y338-T340 WeakPolarHBondContact OH-CG2 3.43Å; Y338-T340 PolarHBondContact OH-OG1 2.94Å; Y338-I381 CarbonylContact C-O 3.45Å; Y338-I381 VanDerWaalsContact CA-O 3.3Å; Y338-I381 WeakPolarHBondContact CA-O 3.18Å; Y338-L382 HydrophobicContact CD2-CD1 3.99Å; Y338-L382 HydrophobicContact CD2-CD2 4.27Å; Y338-L382 HydrophobicContact CD2-CG 3.86Å; Y338-L382 HydrophobicContact CE2-CD1 4.44Å; Y338-N400 PolarHBondContact OH-OD1 3.37Å; Y338-I403 HydrophobicContact CD1-CD1 4.24Å; Y338-I403 HydrophobicContact CD1-CG1 4.23Å; Y338-I403 HydrophobicContact CG-CD1 4.06Å
339	F	98.9	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.4	174.3	179.1	-88.2	0	0	0	110.4	V32 A34 L37 I55 L58 M315 V319 P379 G380 I381	V32-F339 HydrophobicContact CB-CD2 3.95Å; V32-F339 HydrophobicContact CG1-CD2 3.66Å; V32-F339 HydrophobicContact CG1-CE2 4.03Å; V32-F339 WeakPolarHBondContact O-CA 3.31Å; A34-F339 HydrophobicContact CB-CZ 4.36Å; L37-F339 HydrophobicContact CD2-CE1 3.78Å; L37-F339 HydrophobicContact CD2-CZ 3.59Å; I55-F339 HydrophobicContact CD1-CE1 4.21Å; I55-F339 HydrophobicContact CD1-CE2 3.79Å; I55-F339 HydrophobicContact CD1-CZ 3.53Å; I55-F339 HydrophobicContact CG1-CD2 4.39Å; I55-F339 HydrophobicContact CG1-CE1 4.5Å; I55-F339 HydrophobicContact CG1-CE2 4Å; I55-F339 HydrophobicContact CG1-CZ 4.06Å; I55-F339 HydrophobicContact CG2-CD1 4.13Å; I55-F339 HydrophobicContact CG2-CE1 4Å; I55-F339 HydrophobicContact CG2-CZ 4.38Å; L58-F339 HydrophobicContact CD1-CB 4.27Å; M315-F339 HydrophobicContact CE-CZ 4.14Å; V319-F339 HydrophobicContact CG2-CD2 4.43Å; V319-F339 HydrophobicContact CG2-CE2 4.29Å; F339-P379 HydrophobicContact CD1-CB 4.37Å; F339-P379 HydrophobicContact CE1-CB 4.15Å; F339-G380 WeakPolarHBondContact O-CA 3.11Å; F339-I381 HydrophobicContact CB-CB 4.29Å; F339-I381 HydrophobicContact CD1-CD1 3.98Å; F339-I381 PolarHBondContact N-O 2.83Å; F339-I381 PolarHBondContact O-N 2.9Å
340	T	98.9	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-178.2	175.4	-162.1	0	0	0	0	113.4	V32 M33 A34 Y338 P379	V32-T340 PolarHBondContact O-N 3.34Å; M33-T340 WeakPolarHBondContact CA-O 3.19Å; M33-T340 HydrophobicContact CB-CG2 4.42Å; M33-T340 HydrophobicContact CE-CG2 3.89Å; M33-T340 HydrophobicContact CG-CG2 4.33Å; A34-T340 PolarHBondContact N-O 2.68Å; Y338-T340 HydrophobicContact CD1-CG2 4.34Å; Y338-T340 HydrophobicContact CE1-CG2 3.32Å; Y338-T340 HydrophobicContact CE2-CG2 4.5Å; Y338-T340 VanDerWaalsContact CZ-CG2 3.46Å; Y338-T340 WeakPolarHBondContact OH-CB 3.46Å; Y338-T340 VanDerWaalsContact OH-CG2 3.22Å; Y338-T340 WeakPolarHBondContact OH-CG2 3.43Å; Y338-T340 PolarHBondContact OH-OG1 2.94Å; T340-P379 WeakPolarHBondContact CA-O 3.24Å; T340-P379 WeakPolarHBondContact CB-O 3.34Å; T340-P379 PolarHBondContact OG1-O 3.33Å
341	S	98.9	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.7	161.8	-169.7	0	0	0	0	109.2	A34 L37 Q343 N400	A34-S341 WeakPolarHBondContact O-CA 3.34Å; L37-S341 PolarHBondContact N-OG 2.9Å; L37-S341 VanDerWaalsContact O-CB 3.25Å; L37-S341 WeakPolarHBondContact O-CB 3.24Å; L37-S341 PolarHBondContact O-OG 2.62Å; S341-Q343 WeakPolarHBondContact CB-O 3.02Å; S341-Q343 PolarHBondContact O-N 2.94Å; S341-Q343 PolarHBondContact OG-O 2.72Å; S341-N400 PolarHBondContact O-ND2 3.47Å; S341-N400 VanDerWaalsContact O-ND2 3.08Å
342	D	98.4	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-65.2	-27.9	173.3	56.4	-14.7	0	0	0	112.4	M33 A34 D36 A70 C75 S78 R79	M33-D342 HydrophobicContact CE-CB 4.43Å; M33-D342 HydrophobicContact CG-CB 4.26Å; M33-D342 HydrophobicContact SD-CB 3.77Å; A34-D342 PolarHBondContact O-N 3.42Å; D36-D342 PolarHBondContact N-OD1 2.85Å; A70-D342 WeakPolarHBondContact CB-O 3.44Å; C75-D342 WeakPolarHBondContact CA-OD2 3.16Å; C75-D342 WeakPolarHBondContact CB-OD2 3.43Å; S78-D342 WeakPolarHBondContact CB-O 3.37Å; S78-D342 PolarHBondContact OG-O 2.72Å; R79-D342 HydrophobicContact CG-CB 4.1Å; R79-D342 IonicContact CZ-OD2 3.92Å; R79-D342 IonicContact NE-OD2 2.71Å; R79-D342 PolarHBondContact NE-OD2 3.11Å; R79-D342 IonicContact NH2-OD2 2.77Å; R79-D342 PolarHBondContact NH2-OD2 2.68Å
343	Q	98.8	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-164.6	179.2	172.7	39.2	54.9	68.5	0	0	110.1	D36 A70 S341 V378	D36-Q343 PolarHBondContact OD1-NE2 3.09Å; D36-Q343 PolarHBondContact OD1-OE1 3.35Å; D36-Q343 VanDerWaalsContact OD1-OE1 3.11Å; A70-Q343 HydrophobicContact CB-CB 4.38Å; S341-Q343 WeakPolarHBondContact CB-O 3.02Å; S341-Q343 PolarHBondContact O-N 2.94Å; S341-Q343 PolarHBondContact OG-O 2.72Å; Q343-V378 VanDerWaalsContact C-CG1 3.41Å
344	G	98.3	Very high	94	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.			trans	-80.8	165.3	-177.3	0	0	0	0	0	114.7	K368 G374 G375	G344-K368 WeakPolarHBondContact O-CB 3.46Å; G344-K368 PolarHBondContact O-N 3.4Å; G344-G374 VanDerWaalsContact CA-O 3.3Å; G344-G374 WeakPolarHBondContact CA-O 3.3Å; G344-G375 PolarHBondContact N-O 3.47Å; G344-G375 VanDerWaalsContact N-O 3.11Å
345	A	98.1	Very high	93.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.163	C	C	.	.			trans	-59.9	149.5	-170	0	0	0	0	0	114.9	D36 V347 G359 N361 G367 K368	D36-A345 VanDerWaalsContact O-CA 3.3Å; D36-A345 WeakPolarHBondContact O-CA 3.34Å; A345-V347 PolarHBondContact O-N 3.04Å; A345-G359 VanDerWaalsContact CB-CA 3.45Å; A345-N361 WeakPolarHBondContact CB-OD1 3.03Å; A345-N361 PolarHBondContact N-OD1 3.4Å; A345-N361 PolarHBondContact O-ND2 3.23Å; A345-G367 CarbonylContact O-C 3.37Å; A345-G367 VanDerWaalsContact O-CA 3.26Å; A345-G367 WeakPolarHBondContact O-CA 3.36Å; A345-K368 PolarHBondContact O-N 3.05Å
346	H	97.3	Very high	92.6	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.046	19%	0.192	C	C	.	.			trans	-78.8	100.6	179.8	-163.5	168.5	0	0	0	111.7	E348 E349 G358 K368 H485	H346-E348 IonicContact CD2-OE2 3.6Å; H346-E348 PolarHBondContact CD2-OE2 3.44Å; H346-E348 IonicContact NE2-OE2 3.15Å; H346-E348 PolarHBondContact O-N 3.17Å; H346-E349 HydrophobicContact CB-CB 3.8Å; H346-E349 IonicContact CE1-OE2 3.5Å; H346-E349 IonicContact ND1-OE2 3.68Å; H346-E349 WeakPolarHBondContact O-CB 3.44Å; H346-E349 PolarHBondContact O-N 3.26Å; H346-G358 WeakPolarHBondContact O-CA 3.25Å; H346-K368 HydrophobicContact CB-CB 4.05Å; H346-K368 HydrophobicContact CB-CD 3.8Å; H346-H485 AromaticContact CE1-CE1 3.53Å; H346-H485 AromaticContact CE1-NE2 3.54Å; H346-H485 AromaticContact NE2-NE2 3.98Å; H346-H485 PolarHBondContact NE2-O 2.68Å
347	V	95.9	Very high	92.1	Very high	31 Å²	31	33.8 Å²	33.8	19%	0.188	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-37.6	-175.4	171.3	0	0	0	0	112.7	A345 E349 G366 F482	A345-V347 PolarHBondContact O-N 3.04Å; V347-E349 PolarHBondContact O-N 2.53Å; V347-G366 WeakPolarHBondContact CG2-O 3.43Å; V347-F482 HydrophobicContact CG1-CE2 4.39Å; V347-F482 HydrophobicContact CG1-CZ 4.27Å
348	E	93.7	Very high	91.7	Very high	6 Å²	6	34 Å²	34	3%	0.028	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1	-175.5	-57.9	89.2	157.7	0	0	113.8	H346 V350 G480 C481 F482 H485	H346-E348 IonicContact CD2-OE2 3.6Å; H346-E348 PolarHBondContact CD2-OE2 3.44Å; H346-E348 IonicContact NE2-OE2 3.15Å; H346-E348 PolarHBondContact O-N 3.17Å; E348-V350 PolarHBondContact O-N 3Å; E348-G480 WeakPolarHBondContact OE1-CA 3.35Å; E348-C481 VanDerWaalsContact CG-N 3.29Å; E348-C481 PolarHBondContact OE1-N 3.29Å; E348-F482 HydrophobicContact CB-CD1 4.27Å; E348-F482 HydrophobicContact CB-CE1 4.44Å; E348-F482 HydrophobicContact CB-CG 4.44Å; E348-F482 HydrophobicContact CG-CD2 4.29Å; E348-F482 HydrophobicContact CG-CE2 4.49Å; E348-F482 HydrophobicContact CG-CG 4.35Å; E348-H485 WeakPolarHBondContact CB-O 3.43Å
349	E	93.1	Very high	91.5	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.014	21%	0.206	C	C	.	.			trans	-83.3	81	-171.6	-173.4	53.4	-155.2	0	0	111	R168 T291 H346 V347 H357 G358 H485	R168-E349 IonicContact CZ-OE1 3.74Å; R168-E349 IonicContact CZ-OE2 3.12Å; R168-E349 IonicContact NE-OE1 3.98Å; R168-E349 PolarHBondContact NE-OE1 2.04Å; R168-E349 IonicContact NE-OE2 2.81Å; R168-E349 IonicContact NH2-OE1 2.91Å; R168-E349 PolarHBondContact NH2-OE1 3.23Å; R168-E349 IonicContact NH2-OE2 2.68Å; R168-E349 PolarHBondContact NH2-OE2 2.91Å; R168-E349 VanDerWaalsContact NH2-OE2 3.15Å; T291-E349 WeakPolarHBondContact CB-OE1 3.36Å; T291-E349 WeakPolarHBondContact CG2-OE1 3.44Å; T291-E349 VanDerWaalsContact OG1-CG 3.3Å; T291-E349 WeakPolarHBondContact OG1-CG 3.17Å; T291-E349 PolarHBondContact OG1-OE1 3.43Å; H346-E349 HydrophobicContact CB-CB 3.8Å; H346-E349 IonicContact CE1-OE2 3.5Å; H346-E349 IonicContact ND1-OE2 3.68Å; H346-E349 WeakPolarHBondContact O-CB 3.44Å; H346-E349 PolarHBondContact O-N 3.26Å; V347-E349 PolarHBondContact O-N 2.53Å; E349-H357 HydrophobicContact CG-CB 3.87Å; E349-H357 PolarHBondContact O-N 2.85Å; E349-G358 PolarHBondContact O-N 2.64Å; E349-H485 IonicContact OE2-CD2 3.71Å; E349-H485 IonicContact OE2-CE1 3.5Å; E349-H485 PolarHBondContact OE2-CE1 2.81Å; E349-H485 IonicContact OE2-NE2 3.23Å; E349-H485 PolarHBondContact OE2-NE2 3.12Å
350	V	87.8	Confident	91.4	Very high	46 Å²	46	37 Å²	37	28%	0.279	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-122	137.7	177.3	-174.7	0	0	0	0	109	R168 E348 E355 I356 F482	R168-V350 PolarHBondContact NH2-O 3.19Å; R168-V350 VanDerWaalsContact NH2-O 3.12Å; E348-V350 PolarHBondContact O-N 3Å; V350-E355 CarbonylContact C-O 3.54Å; V350-E355 WeakPolarHBondContact CA-O 3.47Å; V350-E355 WeakPolarHBondContact CG1-O 3.3Å; V350-I356 HydrophobicContact CG2-CG1 4.39Å; V350-F482 HydrophobicContact CG2-CE1 3.94Å
351	S	84	Confident	91.3	Very high	21 Å²	21	37.5 Å²	37.5	15%	0.147	22%	0.224	C	C	.	.			trans	-74.1	161.9	176.8	89.9	0	0	0	0	110.9	K353 G354 E355	S351-K353 PolarHBondContact O-N 2.94Å; S351-K353 VanDerWaalsContact O-N 3.08Å; S351-K353 PolarHBondContact OG-N 3.17Å; S351-G354 PolarHBondContact O-N 3.2Å; S351-E355 PolarHBondContact N-O 3.08Å; S351-E355 WeakPolarHBondContact OG-CB 3.39Å; S351-E355 PolarHBondContact OG-N 2.73Å
352	S	78.3	Confident	91.2	Very high	133 Å²	133	39.9 Å²	39.9	93%	0.93	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16	175.7	-54.4	0	0	0	0	113.6	G354	S352-G354 VanDerWaalsContact C-N 3.34Å
353	K	79.7	Confident	91.2	Very high	182 Å²	182	43.8 Å²	43.8	79%	0.791	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	0.2	174.5	-62.1	178.8	-177.3	173	0	112.8	S351	S351-K353 PolarHBondContact O-N 2.94Å; S351-K353 VanDerWaalsContact O-N 3.08Å; S351-K353 PolarHBondContact OG-N 3.17Å
354	G	80.8	Confident	91.2	Very high	51 Å²	51	45.8 Å²	45.8	53%	0.526	28%	0.276	S	S	.	.	S	Bend	trans	86.9	6.8	-179.2	0	0	0	0	0	114.7	S351 S352 I356	S351-G354 PolarHBondContact O-N 3.2Å; S352-G354 VanDerWaalsContact C-N 3.34Å; G354-I356 PolarHBondContact O-N 3.29Å
355	E	81.1	Confident	91.2	Very high	93 Å²	93	48.2 Å²	48.2	44%	0.435	29%	0.287	S	S	.	.			trans	-72.5	128.4	176.4	-60.3	166.9	-168.9	0	0	109.7	V350 S351 H357	V350-E355 CarbonylContact C-O 3.54Å; V350-E355 WeakPolarHBondContact CA-O 3.47Å; V350-E355 WeakPolarHBondContact CG1-O 3.3Å; S351-E355 PolarHBondContact N-O 3.08Å; S351-E355 WeakPolarHBondContact OG-CB 3.39Å; S351-E355 PolarHBondContact OG-N 2.73Å; E355-H357 WeakPolarHBondContact CB-NE2 3.34Å; E355-H357 PolarHBondContact O-N 2.72Å; E355-H357 IonicContact OE2-CD2 2.83Å; E355-H357 IonicContact OE2-CE1 2.71Å; E355-H357 IonicContact OE2-NE2 3.01Å; E355-H357 PolarHBondContact OE2-NE2 2.86Å
356	I	85.1	Confident	91.2	Very high	120 Å²	120	48.2 Å²	48.2	62%	0.615	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-81.3	114.4	176.5	-57.4	174	0	0	0	107.5	V350 G354	V350-I356 HydrophobicContact CG2-CG1 4.39Å; G354-I356 PolarHBondContact O-N 3.29Å
357	H	89	Confident	91.2	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.032	28%	0.284	C	S	.	.			trans	-104.4	-14.6	-178.7	-72.5	-169	0	0	0	111.7	L293 Y308 E349 E355	L293-H357 HydrophobicContact CD1-CB 3.7Å; Y308-H357 WeakPolarHBondContact CD2-O 3.47Å; E349-H357 HydrophobicContact CG-CB 3.87Å; E349-H357 PolarHBondContact O-N 2.85Å; E355-H357 WeakPolarHBondContact CB-NE2 3.34Å; E355-H357 PolarHBondContact O-N 2.72Å; E355-H357 IonicContact OE2-CD2 2.83Å; E355-H357 IonicContact OE2-CE1 2.71Å; E355-H357 IonicContact OE2-NE2 3.01Å; E355-H357 PolarHBondContact OE2-NE2 2.86Å
358	G	90.2	Very high	91.3	Very high	9 Å²	9	46.9 Å²	46.9	9%	0.093	28%	0.278	C	S	.	.	S	Bend	trans	-76.7	163.2	168.9	0	0	0	0	0	113.9	H346 E349	H346-G358 WeakPolarHBondContact O-CA 3.25Å; E349-G358 PolarHBondContact O-N 2.64Å
359	G	94.3	Very high	91.5	Very high	19 Å²	19	46.8 Å²	46.8	20%	0.196	28%	0.278	C	S	.	.			trans	-85.7	-170.4	174.4	0	0	0	0	0	115.7	D41 Y308 A345	D41-G359 WeakPolarHBondContact OD2-CA 3.43Å; Y308-G359 VanDerWaalsContact CE1-CA 3.48Å; Y308-G359 WeakPolarHBondContact OH-CA 3.18Å; A345-G359 VanDerWaalsContact CB-CA 3.45Å
360	S	96.8	Very high	91.7	Very high	46 Å²	46	46.7 Å²	46.7	32%	0.322	28%	0.278	S	S	.	.			trans	-114.3	129.4	179.5	-179.9	0	0	0	0	112.1	G38 G40 D41 G362	G38-S360 CarbonylContact C-O 3.51Å; G38-S360 WeakPolarHBondContact CA-O 3.17Å; G40-S360 CarbonylContact C-O 3.34Å; G40-S360 WeakPolarHBondContact CA-O 3.43Å; G40-S360 PolarHBondContact N-O 2.78Å; D41-S360 VanDerWaalsContact CG-N 3.3Å; D41-S360 PolarHBondContact N-O 3.28Å; D41-S360 WeakPolarHBondContact OD1-CB 2.77Å; D41-S360 PolarHBondContact OD1-N 2.94Å; D41-S360 PolarHBondContact OD2-N 3.13Å; S360-G362 VanDerWaalsContact C-N 3.29Å; S360-G362 PolarHBondContact OG-N 3.24Å; S360-G362 VanDerWaalsContact OG-N 3.12Å
361	N	98.1	Very high	92.3	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.053	27%	0.265	C	S	.	.			trans	-93	15	170.1	-58.9	-44.5	0	0	0	112.4	G38 I39 A345 I363 Y364 G366 G367 G374	G38-N361 VanDerWaalsContact CA-OD1 3.29Å; G38-N361 WeakPolarHBondContact CA-OD1 3.34Å; I39-N361 HydrophobicContact CG2-CB 4.22Å; A345-N361 WeakPolarHBondContact CB-OD1 3.03Å; A345-N361 PolarHBondContact N-OD1 3.4Å; A345-N361 PolarHBondContact O-ND2 3.23Å; N361-I363 PolarHBondContact O-N 3.45Å; N361-Y364 WeakPolarHBondContact O-CB 3.29Å; N361-Y364 WeakPolarHBondContact O-CD2 3.05Å; N361-Y364 PolarHBondContact O-N 3.13Å; N361-Y364 VanDerWaalsContact O-N 3.16Å; N361-G366 PolarHBondContact ND2-O 3.42Å; N361-G367 WeakPolarHBondContact ND2-CA 3.43Å; N361-G374 PolarHBondContact ND2-O 3.5Å; N361-G374 VanDerWaalsContact ND2-O 3.07Å; N361-G374 PolarHBondContact OD1-O 2.99Å
362	G	97.1	Very high	93	Very high	50 Å²	50	44.2 Å²	44.2	52%	0.515	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	-123.2	176.4	0	0	0	0	0	112.7	S360 Y364	S360-G362 VanDerWaalsContact C-N 3.29Å; S360-G362 PolarHBondContact OG-N 3.24Å; S360-G362 VanDerWaalsContact OG-N 3.12Å; G362-Y364 VanDerWaalsContact C-N 3.3Å
363	I	97.5	Very high	93.9	Very high	83 Å²	83	37.9 Å²	37.9	43%	0.426	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.7	-178.9	67	170.2	0	0	0	113.5	N361 P509 R510	N361-I363 PolarHBondContact O-N 3.45Å; I363-P509 HydrophobicContact CD1-CB 4.05Å; I363-P509 HydrophobicContact CD1-CG 3.91Å; I363-R510 HydrophobicContact CB-CG 4.41Å
364	Y	98.5	Very high	94.8	Very high	42 Å²	42	29.2 Å²	29.2	17%	0.165	18%	0.178	C	C	.	.	S	Bend	trans	-80.9	143.8	-168.2	-57.9	-68.4	0	0	0	111.6	I39 N361 G362 E373 R377 P509	I39-Y364 HydrophobicContact CG1-CD2 4.38Å; I39-Y364 HydrophobicContact CG1-CE2 3.91Å; I39-Y364 HydrophobicContact CG2-CD2 3.43Å; I39-Y364 VanDerWaalsContact CG2-CD2 3.43Å; I39-Y364 HydrophobicContact CG2-CE2 3.84Å; I39-Y364 HydrophobicContact CG2-CG 4.49Å; N361-Y364 WeakPolarHBondContact O-CB 3.29Å; N361-Y364 WeakPolarHBondContact O-CD2 3.05Å; N361-Y364 PolarHBondContact O-N 3.13Å; N361-Y364 VanDerWaalsContact O-N 3.16Å; G362-Y364 VanDerWaalsContact C-N 3.3Å; Y364-E373 HydrophobicContact CD1-CB 3.63Å; Y364-E373 HydrophobicContact CD1-CG 4.17Å; Y364-E373 HydrophobicContact CG-CB 3.99Å; Y364-R377 VanDerWaalsContact CZ-CD 3.44Å; Y364-R377 PolarHBondContact OH-NH1 2.94Å; Y364-P509 VanDerWaalsContact CD1-O 3.29Å; Y364-P509 WeakPolarHBondContact CD1-O 3.26Å; Y364-P509 HydrophobicContact CE1-CB 4.05Å
365	K	98.3	Very high	95.6	Very high	50 Å²	50	26.8 Å²	26.8	22%	0.217	15%	0.153	C	C	.	.	S	Bend	trans	-76.9	147.8	179.7	-175.9	178.8	173.2	75.6	0	110.8	W372 E373 G374 F473 N479 R510 E511	K365-W372 HydrophobicContact CB-CB 4.19Å; K365-W372 HydrophobicContact CB-CG 4.46Å; K365-W372 HydrophobicContact CD-CD2 3.59Å; K365-W372 HydrophobicContact CD-CE3 3.62Å; K365-W372 HydrophobicContact CD-CG 4.1Å; K365-W372 HydrophobicContact CD-CH2 4.19Å; K365-W372 HydrophobicContact CD-CZ2 4.18Å; K365-W372 HydrophobicContact CD-CZ3 3.92Å; K365-W372 HydrophobicContact CG-CB 4.17Å; K365-W372 HydrophobicContact CG-CD2 4Å; K365-W372 HydrophobicContact CG-CE3 4.33Å; K365-W372 HydrophobicContact CG-CG 3.95Å; K365-W372 CarbonylContact O-C 3.42Å; K365-W372 WeakPolarHBondContact O-CB 3.29Å; K365-E373 PolarHBondContact O-N 2.86Å; K365-G374 VanDerWaalsContact O-CA 3.26Å; K365-G374 WeakPolarHBondContact O-CA 3.36Å; K365-G374 PolarHBondContact O-N 3.26Å; K365-F473 HydrophobicContact CG-CE2 4.49Å; K365-N479 VanDerWaalsContact CG-OD1 3.26Å; K365-N479 WeakPolarHBondContact CG-OD1 3.39Å; K365-R510 WeakPolarHBondContact CB-O 3.17Å; K365-E511 HydrophobicContact CB-CB 4.24Å; K365-E511 HydrophobicContact CD-CB 4.04Å; K365-E511 VanDerWaalsContact CD-O 3.3Å; K365-E511 WeakPolarHBondContact CD-O 3.25Å
366	G	98	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.133	C	C	.	.			trans	67.9	-156.8	178.5	0	0	0	0	0	114.8	V347 N361 N370 N479	V347-G366 WeakPolarHBondContact CG2-O 3.43Å; N361-G366 PolarHBondContact ND2-O 3.42Å; G366-N370 WeakPolarHBondContact CA-OD1 3.47Å; G366-N479 VanDerWaalsContact N-CG 3.26Å; G366-N479 PolarHBondContact N-ND2 2.75Å; G366-N479 VanDerWaalsContact N-ND2 3.12Å; G366-N479 PolarHBondContact N-OD1 2.84Å
367	G	98.2	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.			trans	177.9	-164.8	-167	0	0	0	0	0	112	A345 N361 A369 N370 G374 G375	A345-G367 CarbonylContact O-C 3.37Å; A345-G367 VanDerWaalsContact O-CA 3.26Å; A345-G367 WeakPolarHBondContact O-CA 3.36Å; N361-G367 WeakPolarHBondContact ND2-CA 3.43Å; G367-A369 PolarHBondContact O-N 3.46Å; G367-N370 PolarHBondContact N-OD1 3.45Å; G367-N370 VanDerWaalsContact N-OD1 3.14Å; G367-N370 PolarHBondContact O-N 2.99Å; G367-N370 PolarHBondContact O-ND2 3.42Å; G367-N370 VanDerWaalsContact O-ND2 3.09Å; G367-N370 PolarHBondContact O-OD1 3.03Å; G367-G374 WeakPolarHBondContact CA-O 3.36Å; G367-G375 WeakPolarHBondContact O-CA 3.35Å
368	K	98.3	Very high	97.6	Very high	13 Å²	13	16.6 Å²	16.6	6%	0.057	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.8	140.6	172.5	-171	175	-177.3	169.2	0	111.9	D36 L74 H290 G344 A345 H346 N370	D36-K368 WeakPolarHBondContact OD1-CD 3.21Å; D36-K368 VanDerWaalsContact OD1-CE 3.3Å; D36-K368 WeakPolarHBondContact OD1-CE 3.22Å; D36-K368 IonicContact OD1-NZ 2.84Å; D36-K368 PolarHBondContact OD1-NZ 2.82Å; D36-K368 IonicContact OD2-NZ 3.67Å; D36-K368 PolarHBondContact OD2-NZ 2.95Å; L74-K368 HydrophobicContact CD2-CG 4.41Å; H290-K368 PolarHBondContact CD2-NZ 2.83Å; H290-K368 PolarHBondContact NE2-NZ 2.79Å; G344-K368 WeakPolarHBondContact O-CB 3.46Å; G344-K368 PolarHBondContact O-N 3.4Å; A345-K368 PolarHBondContact O-N 3.05Å; H346-K368 HydrophobicContact CB-CB 4.05Å; H346-K368 HydrophobicContact CB-CD 3.8Å; K368-N370 PolarHBondContact O-ND2 3.38Å
369	A	97.8	Very high	98	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.033	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	10.4	-178	0	0	0	0	0	117.4	P73 L74 G367 V486	P73-A369 PolarHBondContact O-N 3.18Å; L74-A369 HydrophobicContact CD2-CB 3.93Å; G367-A369 PolarHBondContact O-N 3.46Å; A369-V486 HydrophobicContact CB-CB 3.77Å; A369-V486 HydrophobicContact CB-CG1 4.21Å
370	N	98.1	Very high	98.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.011	9%	0.089	C	C	.	.	S	Bend	trans	-145.8	156.6	172	55.8	83.4	0	0	0	113.5	P73 G366 G367 K368 W372 G375 P471 C487	P73-N370 VanDerWaalsContact CB-O 3.25Å; P73-N370 WeakPolarHBondContact CB-O 3.03Å; G366-N370 WeakPolarHBondContact CA-OD1 3.47Å; G367-N370 PolarHBondContact N-OD1 3.45Å; G367-N370 VanDerWaalsContact N-OD1 3.14Å; G367-N370 PolarHBondContact O-N 2.99Å; G367-N370 PolarHBondContact O-ND2 3.42Å; G367-N370 VanDerWaalsContact O-ND2 3.09Å; G367-N370 PolarHBondContact O-OD1 3.03Å; K368-N370 PolarHBondContact O-ND2 3.38Å; N370-W372 VanDerWaalsContact C-N 3.34Å; N370-W372 PolarHBondContact O-N 3.03Å; N370-G375 WeakPolarHBondContact O-CA 3.41Å; N370-P471 HydrophobicContact CB-CG 3.88Å; N370-C487 HydrophobicContact CB-CB 4.35Å
371	N	98.6	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.			trans	-92.3	19.5	-178.5	-62.7	-73.1	0	0	0	114.5	I376 H444 Y445 C446 N451 K465 F467	N371-I376 HydrophobicContact CB-CG2 4.31Å; N371-I376 VanDerWaalsContact OD1-CG2 3.31Å; N371-I376 WeakPolarHBondContact OD1-CG2 3.43Å; N371-H444 HydrophobicContact CB-CB 4.06Å; N371-Y445 PolarHBondContact ND2-O 3.25Å; N371-Y445 PolarHBondContact OD1-O 3.1Å; N371-C446 PolarHBondContact ND2-N 3.2Å; N371-N451 VanDerWaalsContact CB-OD1 3.27Å; N371-N451 WeakPolarHBondContact CB-OD1 3.41Å; N371-N451 WeakPolarHBondContact ND2-CB 3.29Å; N371-N451 PolarHBondContact ND2-OD1 2.9Å; N371-K465 WeakPolarHBondContact O-CE 3.16Å; N371-K465 PolarHBondContact O-NZ 3.41Å; N371-F467 HydrophobicContact CB-CE1 4.35Å; N371-F467 WeakPolarHBondContact O-CZ 3.44Å
372	W	98.7	Very high	98.3	Very high	14 Å²	14	12.6 Å²	12.6	5%	0.053	7%	0.072	C	C	.	.	S	Bend	trans	-63.7	157.1	159.5	-63.6	114.9	0	0	0	109.1	K365 N370 G374 G375 I376 F467 T470 F473 L501 F503 E511	K365-W372 HydrophobicContact CB-CB 4.19Å; K365-W372 HydrophobicContact CB-CG 4.46Å; K365-W372 HydrophobicContact CD-CD2 3.59Å; K365-W372 HydrophobicContact CD-CE3 3.62Å; K365-W372 HydrophobicContact CD-CG 4.1Å; K365-W372 HydrophobicContact CD-CH2 4.19Å; K365-W372 HydrophobicContact CD-CZ2 4.18Å; K365-W372 HydrophobicContact CD-CZ3 3.92Å; K365-W372 HydrophobicContact CG-CB 4.17Å; K365-W372 HydrophobicContact CG-CD2 4Å; K365-W372 HydrophobicContact CG-CE3 4.33Å; K365-W372 HydrophobicContact CG-CG 3.95Å; K365-W372 CarbonylContact O-C 3.42Å; K365-W372 WeakPolarHBondContact O-CB 3.29Å; N370-W372 VanDerWaalsContact C-N 3.34Å; N370-W372 PolarHBondContact O-N 3.03Å; W372-G374 PolarHBondContact O-N 2.95Å; W372-G375 PolarHBondContact O-N 3.02Å; W372-I376 PolarHBondContact O-N 2.68Å; W372-F467 HydrophobicContact CD2-CE1 4.41Å; W372-F467 HydrophobicContact CD2-CZ 4.06Å; W372-F467 HydrophobicContact CE3-CE1 4.21Å; W372-F467 AromaticContact CE3-CE2 3.85Å; W372-F467 HydrophobicContact CE3-CE2 3.85Å; W372-F467 AromaticContact CE3-CZ 3.46Å; W372-F467 HydrophobicContact CE3-CZ 3.46Å; W372-F467 VanDerWaalsContact CE3-CZ 3.46Å; W372-F467 HydrophobicContact CH2-CE2 4.38Å; W372-F467 HydrophobicContact CH2-CZ 4.47Å; W372-F467 HydrophobicContact CZ3-CD2 4.3Å; W372-F467 HydrophobicContact CZ3-CE1 4.46Å; W372-F467 AromaticContact CZ3-CE2 3.62Å; W372-F467 HydrophobicContact CZ3-CE2 3.62Å; W372-F467 AromaticContact CZ3-CZ 3.71Å; W372-F467 HydrophobicContact CZ3-CZ 3.71Å; W372-T470 HydrophobicContact CH2-CG2 3.94Å; W372-T470 HydrophobicContact CZ2-CG2 3.64Å; W372-F473 AromaticContact CD1-CZ 3.38Å; W372-F473 HydrophobicContact CG-CZ 4.44Å; W372-F473 AromaticContact NE1-CE2 3.93Å; W372-F473 AromaticContact NE1-CZ 3.42Å; W372-L501 HydrophobicContact CH2-CD2 4.3Å; W372-F503 AromaticContact CH2-CE2 3.91Å; W372-F503 HydrophobicContact CH2-CE2 3.91Å; W372-F503 AromaticContact CH2-CZ 3.92Å; W372-F503 HydrophobicContact CH2-CZ 3.92Å; W372-F503 HydrophobicContact CZ3-CD2 4.42Å; W372-F503 AromaticContact CZ3-CE2 3.66Å; W372-F503 HydrophobicContact CZ3-CE2 3.66Å; W372-F503 AromaticContact CZ3-CZ 3.82Å; W372-F503 HydrophobicContact CZ3-CZ 3.82Å; W372-E511 HydrophobicContact CE3-CB 3.86Å; W372-E511 HydrophobicContact CE3-CG 4.27Å; W372-E511 HydrophobicContact CZ3-CB 3.85Å; W372-E511 HydrophobicContact CZ3-CG 4.43Å
373	E	98.8	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-52.1	-36.8	-173.5	-77.9	-51.6	103.5	0	0	112.5	Y364 K365 G375 I376 R377 R454 K465 I505 E511	Y364-E373 HydrophobicContact CD1-CB 3.63Å; Y364-E373 HydrophobicContact CD1-CG 4.17Å; Y364-E373 HydrophobicContact CG-CB 3.99Å; K365-E373 PolarHBondContact O-N 2.86Å; E373-G375 PolarHBondContact O-N 3.01Å; E373-I376 PolarHBondContact O-N 3.41Å; E373-R377 WeakPolarHBondContact O-CA 3.33Å; E373-R377 WeakPolarHBondContact O-CB 3.48Å; E373-R377 PolarHBondContact O-N 3.36Å; E373-R377 IonicContact OE2-CZ 3.96Å; E373-R377 IonicContact OE2-NE 3.88Å; E373-R377 PolarHBondContact OE2-NE 2.98Å; E373-R377 IonicContact OE2-NH2 3.79Å; E373-R377 PolarHBondContact OE2-NH2 3.03Å; E373-R454 IonicContact OE1-CZ 2.94Å; E373-R454 IonicContact OE1-NH1 3.41Å; E373-R454 IonicContact OE1-NH2 3.32Å; E373-R454 PolarHBondContact OE1-NH2 3.11Å; E373-R454 IonicContact OE2-CZ 2.71Å; E373-R454 IonicContact OE2-NH1 3.39Å; E373-R454 IonicContact OE2-NH2 2.81Å; E373-R454 PolarHBondContact OE2-NH2 3.04Å; E373-K465 IonicContact OE1-NZ 3.39Å; E373-K465 PolarHBondContact OE1-NZ 2.8Å; E373-I505 HydrophobicContact CG-CG2 4.12Å; E373-E511 HydrophobicContact CG-CG 4.28Å; E373-E511 WeakPolarHBondContact CG-OE2 3.33Å; E373-E511 PolarHBondContact N-OE2 3.33Å
374	G	98.4	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66	-17.3	179	0	0	0	0	0	114.6	G344 N361 K365 G367 W372	G344-G374 VanDerWaalsContact CA-O 3.3Å; G344-G374 WeakPolarHBondContact CA-O 3.3Å; N361-G374 PolarHBondContact ND2-O 3.5Å; N361-G374 VanDerWaalsContact ND2-O 3.07Å; N361-G374 PolarHBondContact OD1-O 2.99Å; K365-G374 VanDerWaalsContact O-CA 3.26Å; K365-G374 WeakPolarHBondContact O-CA 3.36Å; K365-G374 PolarHBondContact O-N 3.26Å; G367-G374 WeakPolarHBondContact CA-O 3.36Å; W372-G374 PolarHBondContact O-N 2.95Å
375	G	98	Very high	98.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-94.7	-27.9	175.9	0	0	0	0	0	114.8	G344 G367 N370 W372 E373	G344-G375 PolarHBondContact N-O 3.47Å; G344-G375 VanDerWaalsContact N-O 3.11Å; G367-G375 WeakPolarHBondContact O-CA 3.35Å; N370-G375 WeakPolarHBondContact O-CA 3.41Å; W372-G375 PolarHBondContact O-N 3.02Å; E373-G375 PolarHBondContact O-N 3.01Å
376	I	98.3	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-107	-29.8	-177.6	55.8	169.8	0	0	0	113.3	L69 A70 N371 W372 E373	L69-I376 CarbonylContact C-O 3.46Å; L69-I376 VanDerWaalsContact CA-O 3.29Å; L69-I376 WeakPolarHBondContact CA-O 3.33Å; L69-I376 HydrophobicContact CD2-CD1 4.34Å; L69-I376 HydrophobicContact CD2-CG1 4.36Å; A70-I376 PolarHBondContact N-O 3.18Å; N371-I376 HydrophobicContact CB-CG2 4.31Å; N371-I376 VanDerWaalsContact OD1-CG2 3.31Å; N371-I376 WeakPolarHBondContact OD1-CG2 3.43Å; W372-I376 PolarHBondContact O-N 2.68Å; E373-I376 PolarHBondContact O-N 3.41Å
377	R	98.6	Very high	98.3	Very high	7 Å²	7	14 Å²	14	3%	0.026	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-80.7	123.5	178.5	-166.9	170.8	-75.3	-155.3	-4.5	109.2	I39 T66 H68 L69 Y364 E373	I39-R377 HydrophobicContact CG1-CG 4.42Å; T66-R377 PolarHBondContact O-NH1 3.1Å; H68-R377 WeakPolarHBondContact O-CA 3.33Å; L69-R377 HydrophobicContact CD2-CB 4.26Å; Y364-R377 VanDerWaalsContact CZ-CD 3.44Å; Y364-R377 PolarHBondContact OH-NH1 2.94Å; E373-R377 WeakPolarHBondContact O-CA 3.33Å; E373-R377 WeakPolarHBondContact O-CB 3.48Å; E373-R377 PolarHBondContact O-N 3.36Å; E373-R377 IonicContact OE2-CZ 3.96Å; E373-R377 IonicContact OE2-NE 3.88Å; E373-R377 PolarHBondContact OE2-NE 2.98Å; E373-R377 IonicContact OE2-NH2 3.79Å; E373-R377 PolarHBondContact OE2-NH2 3.03Å
378	V	98.8	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.			trans	-130	157.8	-172.6	-67.4	0	0	0	0	110.8	H68 A70 Q343 G380 N400	H68-V378 HydrophobicContact CB-CG2 4.41Å; H68-V378 PolarHBondContact O-N 3.33Å; A70-V378 HydrophobicContact CB-CG1 4.07Å; A70-V378 HydrophobicContact CB-CG2 4.5Å; Q343-V378 VanDerWaalsContact C-CG1 3.41Å; V378-G380 PolarHBondContact O-N 2.91Å; V378-N400 WeakPolarHBondContact CG2-OD1 3.27Å
379	P	98.8	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.			trans	-52.9	138.4	166.6	-24.3	34.6	0	0	0	110.3	L37 I39 P42 Y45 F339 T340	L37-P379 HydrophobicContact CD2-CG 4.26Å; I39-P379 HydrophobicContact CD1-CG 4.32Å; P42-P379 HydrophobicContact CG-CG 4.11Å; Y45-P379 HydrophobicContact CD2-CB 4.37Å; Y45-P379 HydrophobicContact CE2-CB 3.85Å; F339-P379 HydrophobicContact CD1-CB 4.37Å; F339-P379 HydrophobicContact CE1-CB 4.15Å; T340-P379 WeakPolarHBondContact CA-O 3.24Å; T340-P379 WeakPolarHBondContact CB-O 3.34Å; T340-P379 PolarHBondContact OG1-O 3.33Å
380	G	98.8	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	107.9	176	0	0	0	0	0	108.8	Y45 L65 F339 V378	Y45-G380 PolarHBondContact OH-N 2.7Å; Y45-G380 PolarHBondContact OH-O 3.18Å; L65-G380 WeakPolarHBondContact CA-O 3.26Å; L65-G380 VanDerWaalsContact CB-O 3.26Å; L65-G380 WeakPolarHBondContact CB-O 3.28Å; L65-G380 WeakPolarHBondContact CG-O 3.3Å; L65-G380 PolarHBondContact N-O 3.4Å; F339-G380 WeakPolarHBondContact O-CA 3.11Å; V378-G380 PolarHBondContact O-N 2.91Å
381	I	98.9	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.1	-176.9	-48.4	166.3	0	0	0	108.4	Y45 I55 L58 A59 V63 Y338 F339	Y45-I381 HydrophobicContact CE2-CD1 4.17Å; Y45-I381 HydrophobicContact CE2-CG1 4.06Å; I55-I381 HydrophobicContact CG2-CD1 3.57Å; L58-I381 HydrophobicContact CD2-CB 3.97Å; L58-I381 HydrophobicContact CD2-CG2 3.31Å; L58-I381 HydrophobicContact CG-CG2 4.49Å; A59-I381 VanDerWaalsContact CA-CG2 3.49Å; A59-I381 HydrophobicContact CB-CD1 4.13Å; A59-I381 HydrophobicContact CB-CG1 4.48Å; A59-I381 HydrophobicContact CB-CG2 3.93Å; V63-I381 WeakPolarHBondContact O-CA 3.31Å; V63-I381 WeakPolarHBondContact O-CG2 3.39Å; Y338-I381 CarbonylContact C-O 3.45Å; Y338-I381 VanDerWaalsContact CA-O 3.3Å; Y338-I381 WeakPolarHBondContact CA-O 3.18Å; F339-I381 HydrophobicContact CB-CB 4.29Å; F339-I381 HydrophobicContact CD1-CD1 3.98Å; F339-I381 PolarHBondContact N-O 2.83Å; F339-I381 PolarHBondContact O-N 2.9Å
382	L	98.8	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.4	173.5	-67.8	98.1	0	0	0	110.4	G62 V63 L65 L336 I337 Y338 I388 L430	G62-L382 CarbonylContact C-O 3.17Å; G62-L382 WeakPolarHBondContact CA-O 3.44Å; V63-L382 PolarHBondContact N-O 3.38Å; V63-L382 PolarHBondContact O-N 3.2Å; L65-L382 HydrophobicContact CD1-CD1 3.63Å; L65-L382 HydrophobicContact CD2-CD1 4.47Å; L65-L382 HydrophobicContact CG-CD1 4.06Å; L336-L382 HydrophobicContact CD1-CD2 4.16Å; I337-L382 CarbonylContact O-C 3.52Å; I337-L382 VanDerWaalsContact O-CA 3.32Å; I337-L382 WeakPolarHBondContact O-CA 3.42Å; Y338-L382 HydrophobicContact CD2-CD1 3.99Å; Y338-L382 HydrophobicContact CD2-CD2 4.27Å; Y338-L382 HydrophobicContact CD2-CG 3.86Å; Y338-L382 HydrophobicContact CE2-CD1 4.44Å; L382-I388 HydrophobicContact CB-CD1 4.09Å; L382-L430 HydrophobicContact CB-CD2 4.27Å; L382-L430 HydrophobicContact CD1-CD2 4.14Å; L382-L430 HydrophobicContact CD2-CD1 3.78Å
383	R	98.7	Very high	98	Very high	34 Å²	34	32.9 Å²	32.9	13%	0.128	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.9	174.8	175.8	-177.8	-179.9	-145.5	-3.5	109.3	L58 I337 P385	L58-R383 HydrophobicContact CD2-CB 3.61Å; L58-R383 HydrophobicContact CG-CB 4.14Å; I337-R383 PolarHBondContact N-O 2.93Å; I337-R383 PolarHBondContact O-N 2.02Å; R383-P385 HydrophobicContact CG-CG 4.39Å
384	W	98.3	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	18%	0.18	C	C	.	.			trans	-149.5	94	169	-174	9.8	0	0	0	108.9	S25 P27 N333 L336 R386 V387 I388 L410 M427	S25-W384 WeakPolarHBondContact OG-CH2 3.43Å; P27-W384 HydrophobicContact CB-CH2 4.17Å; P27-W384 HydrophobicContact CB-CZ2 3.5Å; P27-W384 HydrophobicContact CG-CH2 3.7Å; P27-W384 HydrophobicContact CG-CZ2 3.57Å; P27-W384 HydrophobicContact CG-CZ3 4.45Å; N333-W384 VanDerWaalsContact O-CD1 3.24Å; N333-W384 PolarHBondContact O-NE1 3.48Å; L336-W384 HydrophobicContact CB-CD2 4.35Å; L336-W384 HydrophobicContact CB-CE3 4.37Å; L336-W384 HydrophobicContact CB-CG 4.45Å; L336-W384 HydrophobicContact CD1-CB 3.93Å; L336-W384 HydrophobicContact CD1-CE3 4.36Å; W384-R386 VanDerWaalsContact CZ2-NH2 3.27Å; W384-R386 PolarHBondContact O-N 3.12Å; W384-V387 HydrophobicContact CD2-CB 3.84Å; W384-V387 HydrophobicContact CD2-CG2 3.76Å; W384-V387 HydrophobicContact CE3-CB 3.77Å; W384-V387 HydrophobicContact CE3-CG1 4.2Å; W384-V387 HydrophobicContact CE3-CG2 3.86Å; W384-V387 HydrophobicContact CG-CB 4.28Å; W384-V387 HydrophobicContact CG-CG2 4.45Å; W384-V387 HydrophobicContact CH2-CG2 3.89Å; W384-V387 HydrophobicContact CZ2-CG2 3.79Å; W384-V387 HydrophobicContact CZ3-CB 4.17Å; W384-V387 HydrophobicContact CZ3-CG1 4.32Å; W384-V387 HydrophobicContact CZ3-CG2 3.91Å; W384-V387 PolarHBondContact O-N 2.92Å; W384-I388 HydrophobicContact CB-CB 4.33Å; W384-I388 HydrophobicContact CB-CD1 3.77Å; W384-I388 HydrophobicContact CB-CG1 3.94Å; W384-I388 PolarHBondContact O-N 2.8Å; W384-L410 HydrophobicContact CH2-CD2 3.78Å; W384-L410 HydrophobicContact CZ3-CD1 4.06Å; W384-L410 HydrophobicContact CZ3-CD2 3.53Å; W384-L410 HydrophobicContact CZ3-CG 4.45Å; W384-M427 HydrophobicContact CE3-CE 4.1Å; W384-M427 HydrophobicContact CZ3-CE 3.82Å; W384-M427 HydrophobicContact CZ3-SD 4.37Å
385	P	97.8	Very high	97.9	Very high	46 Å²	46	37.5 Å²	37.5	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.3	-165.6	-26.5	34.6	0	0	0	115.2	A332 N333 R383	A332-P385 WeakPolarHBondContact O-CD 3.44Å; N333-P385 WeakPolarHBondContact OD1-CB 3.45Å; R383-P385 HydrophobicContact CG-CG 4.39Å
386	R	96.8	Very high	97.9	Very high	129 Å²	129	38.8 Å²	38.8	49%	0.487	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-25	179.7	-175.9	173.1	66.9	70.9	-5.9	113.8	N333 D334 W384	N333-R386 WeakPolarHBondContact O-CB 3.37Å; N333-R386 PolarHBondContact O-N 2.88Å; D334-R386 IonicContact OD1-CZ 3.64Å; D334-R386 VanDerWaalsContact OD1-CZ 3.25Å; D334-R386 IonicContact OD1-NE 2.72Å; D334-R386 PolarHBondContact OD1-NE 3.27Å; D334-R386 IonicContact OD1-NH2 2.62Å; D334-R386 PolarHBondContact OD1-NH2 3.19Å; W384-R386 VanDerWaalsContact CZ2-NH2 3.27Å; W384-R386 PolarHBondContact O-N 3.12Å
387	V	96.7	Very high	97.9	Very high	44 Å²	44	38.9 Å²	38.9	27%	0.267	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-48.3	-168.5	179.4	0	0	0	0	112	W384 M427 E431	W384-V387 HydrophobicContact CD2-CB 3.84Å; W384-V387 HydrophobicContact CD2-CG2 3.76Å; W384-V387 HydrophobicContact CE3-CB 3.77Å; W384-V387 HydrophobicContact CE3-CG1 4.2Å; W384-V387 HydrophobicContact CE3-CG2 3.86Å; W384-V387 HydrophobicContact CG-CB 4.28Å; W384-V387 HydrophobicContact CG-CG2 4.45Å; W384-V387 HydrophobicContact CH2-CG2 3.89Å; W384-V387 HydrophobicContact CZ2-CG2 3.79Å; W384-V387 HydrophobicContact CZ3-CB 4.17Å; W384-V387 HydrophobicContact CZ3-CG1 4.32Å; W384-V387 HydrophobicContact CZ3-CG2 3.91Å; W384-V387 PolarHBondContact O-N 2.92Å; V387-M427 HydrophobicContact CG1-CE 3.88Å; V387-E431 HydrophobicContact CG1-CG 3.78Å
388	I	96.9	Very high	97.9	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	21%	0.206	C	C	.	.	S	Bend	trans	-85.3	130.6	-173.5	-63.2	176.3	0	0	0	109.6	V63 L336 L382 W384 A390 L430	V63-I388 HydrophobicContact CB-CG2 4.2Å; V63-I388 HydrophobicContact CG2-CG2 3.32Å; L336-I388 HydrophobicContact CD1-CD1 3.96Å; L382-I388 HydrophobicContact CB-CD1 4.09Å; W384-I388 HydrophobicContact CB-CB 4.33Å; W384-I388 HydrophobicContact CB-CD1 3.77Å; W384-I388 HydrophobicContact CB-CG1 3.94Å; W384-I388 PolarHBondContact O-N 2.8Å; I388-A390 PolarHBondContact O-N 2.86Å; I388-L430 HydrophobicContact CD1-CB 4.38Å; I388-L430 HydrophobicContact CD1-CD1 4.31Å; I388-L430 HydrophobicContact CG1-CB 4.34Å
389	Q	96.4	Very high	97.9	Very high	144 Å²	144	38.6 Å²	38.6	67%	0.673	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-66.4	126.2	175.3	-176	174.9	-22.2	0	0	110.7
390	A	97.8	Very high	97.8	Very high	61 Å²	61	38.6 Å²	38.6	50%	0.504	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	142	178.5	0	0	0	0	0	112.2	I388 Q392	I388-A390 PolarHBondContact O-N 2.86Å; A390-Q392 VanDerWaalsContact C-N 3.32Å; A390-Q392 PolarHBondContact O-N 2.99Å
391	G	96.4	Very high	97.8	Very high	55 Å²	55	38.6 Å²	38.6	57%	0.567	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	10.5	175.6	0	0	0	0	0	114.7	S60 G62	S60-G391 PolarHBondContact O-N 2.79Å; G62-G391 CarbonylContact O-C 3.23Å; G62-G391 PolarHBondContact O-N 3.03Å
392	Q	97.3	Very high	97.8	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.234	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	153.6	179.7	-175.4	175.1	8.5	0	0	111.4	G62 V63 K64 A390 L430	G62-Q392 PolarHBondContact O-N 2.83Å; V63-Q392 CarbonylContact C-O 3.59Å; V63-Q392 WeakPolarHBondContact CA-O 3.29Å; V63-Q392 HydrophobicContact CG2-CB 3.75Å; V63-Q392 HydrophobicContact CG2-CG 4.07Å; K64-Q392 PolarHBondContact N-O 2.75Å; A390-Q392 VanDerWaalsContact C-N 3.32Å; A390-Q392 PolarHBondContact O-N 2.99Å; Q392-L430 PolarHBondContact OE1-O 3.36Å
393	K	98.2	Very high	97.8	Very high	115 Å²	115	38.7 Å²	38.7	50%	0.5	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.1	175	-176.8	-175.8	136.4	171.1	0	109	K64 T66 D395	K64-K393 WeakPolarHBondContact O-CA 3.45Å; T66-K393 HydrophobicContact CG2-CD 3.77Å; T66-K393 HydrophobicContact CG2-CG 3.67Å; K393-D395 WeakPolarHBondContact CE-OD1 3.06Å; K393-D395 WeakPolarHBondContact CE-OD2 3.46Å; K393-D395 IonicContact NZ-OD1 4Å; K393-D395 PolarHBondContact NZ-OD1 2.71Å; K393-D395 VanDerWaalsContact NZ-OD1 3.17Å; K393-D395 IonicContact NZ-OD2 2.83Å
394	I	98.4	Very high	97.8	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.3	178	-64.3	173.4	0	0	0	108.4	V63 K64 L65 T66 E396 L429 L430	V63-I394 HydrophobicContact CG1-CB 4.33Å; V63-I394 HydrophobicContact CG1-CD1 3.47Å; V63-I394 VanDerWaalsContact CG1-CD1 3.47Å; V63-I394 HydrophobicContact CG1-CG1 3.76Å; V63-I394 HydrophobicContact CG2-CD1 4.44Å; K64-I394 PolarHBondContact O-N 2.91Å; L65-I394 HydrophobicContact CD2-CB 3.83Å; L65-I394 HydrophobicContact CD2-CD1 3.99Å; L65-I394 HydrophobicContact CD2-CG1 4.41Å; L65-I394 HydrophobicContact CD2-CG2 4.16Å; T66-I394 PolarHBondContact N-O 2.75Å; T66-I394 PolarHBondContact OG1-O 2.77Å; I394-E396 HydrophobicContact CG2-CB 3.92Å; I394-E396 HydrophobicContact CG2-CG 4.47Å; I394-L429 HydrophobicContact CD1-CD2 4.26Å; I394-L429 HydrophobicContact CD1-CG 4Å; I394-L429 HydrophobicContact CG2-CD2 3.67Å; I394-L429 HydrophobicContact CG2-CG 4.14Å; I394-L430 HydrophobicContact CD1-CD2 3.95Å
395	D	97.1	Very high	97.8	Very high	85 Å²	85	37.3 Å²	37.3	46%	0.455	20%	0.203	S	C	.	.			trans	-102.7	-3.9	-179.2	-66.4	-57.6	0	0	0	113.6	T66 Q67 K393	T66-D395 WeakPolarHBondContact CB-OD1 3.39Å; T66-D395 WeakPolarHBondContact OG1-CA 3.48Å; T66-D395 PolarHBondContact OG1-OD1 2.89Å; Q67-D395 VanDerWaalsContact CG-O 3.29Å; Q67-D395 WeakPolarHBondContact CG-O 3.34Å; K393-D395 WeakPolarHBondContact CE-OD1 3.06Å; K393-D395 WeakPolarHBondContact CE-OD2 3.46Å; K393-D395 IonicContact NZ-OD1 4Å; K393-D395 PolarHBondContact NZ-OD1 2.71Å; K393-D395 VanDerWaalsContact NZ-OD1 3.17Å; K393-D395 IonicContact NZ-OD2 2.83Å
396	E	97.8	Very high	97.9	Very high	28 Å²	28	35.1 Å²	35.1	13%	0.131	19%	0.189	C	C	.	.	S	Bend	trans	-65.6	144.7	175.3	-72.6	-67.5	112.7	0	0	112.3	I394 T398 L429 Q435 H436 S437 H456	I394-E396 HydrophobicContact CG2-CB 3.92Å; I394-E396 HydrophobicContact CG2-CG 4.47Å; E396-T398 PolarHBondContact O-N 3.18Å; E396-L429 HydrophobicContact CB-CD2 4.12Å; E396-L429 HydrophobicContact CG-CD1 4.18Å; E396-Q435 WeakPolarHBondContact CG-O 3.47Å; E396-H436 IonicContact OE1-ND1 3.07Å; E396-H436 PolarHBondContact OE1-ND1 3.02Å; E396-H436 VanDerWaalsContact OE2-CA 3.3Å; E396-H436 WeakPolarHBondContact OE2-CA 3.14Å; E396-H436 IonicContact OE2-CG 2.73Å; E396-H436 IonicContact OE2-ND1 2.72Å; E396-H436 PolarHBondContact OE2-ND1 3.11Å; E396-S437 PolarHBondContact OE2-N 3.23Å; E396-S437 PolarHBondContact OE2-OG 3.36Å; E396-H456 IonicContact OE1-NE2 3.73Å; E396-H456 PolarHBondContact OE1-NE2 3.04Å; E396-H456 IonicContact OE2-CD2 3.3Å; E396-H456 IonicContact OE2-NE2 3.47Å
397	P	98.3	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.166	C	C	.	.			trans	-63.8	123.5	175.4	27.3	-33.2	0	0	0	110.7	L69 S437 H439 L442 H456	L69-P397 HydrophobicContact CD1-CB 4.33Å; P397-S437 VanDerWaalsContact O-CB 3.31Å; P397-S437 WeakPolarHBondContact O-CB 3.3Å; P397-S437 PolarHBondContact O-OG 2.65Å; P397-H439 HydrophobicContact CG-CB 4.37Å; P397-L442 HydrophobicContact CB-CD1 4.02Å; P397-H456 HydrophobicContact CG-CB 3.93Å
398	T	98.8	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.1	177.6	51.2	0	0	0	0	109.4	Q67 H68 L69 E396 L426 L429	Q67-T398 PolarHBondContact O-N 2.84Å; Q67-T398 PolarHBondContact O-OG1 2.92Å; H68-T398 CarbonylContact C-O 3.56Å; H68-T398 WeakPolarHBondContact CA-OG1 3.21Å; H68-T398 PolarHBondContact ND1-OG1 3.34Å; L69-T398 VanDerWaalsContact CB-O 3.25Å; L69-T398 WeakPolarHBondContact CB-O 3Å; L69-T398 WeakPolarHBondContact CG-O 3.43Å; L69-T398 PolarHBondContact N-O 3.48Å; E396-T398 PolarHBondContact O-N 3.18Å; T398-L426 HydrophobicContact CG2-CD2 3.72Å; T398-L429 HydrophobicContact CG2-CD2 4.1Å
399	S	98.8	Very high	98.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.2	-177.8	-173.3	0	0	0	0	113	H68 L69 M401 D402	H68-S399 PolarHBondContact CE1-O 3.31Å; L69-S399 CarbonylContact O-C 3.57Å; L69-S399 WeakPolarHBondContact O-CA 3.03Å; L69-S399 PolarHBondContact O-OG 2.8Å; S399-M401 PolarHBondContact O-N 3.46Å; S399-M401 VanDerWaalsContact O-N 3.12Å; S399-M401 PolarHBondContact OG-N 3.11Å; S399-D402 PolarHBondContact N-OD2 3.48Å; S399-D402 WeakPolarHBondContact O-CB 3.48Å; S399-D402 VanDerWaalsContact O-CG 3.29Å; S399-D402 PolarHBondContact O-N 3.06Å
400	N	97.1	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-57	-23.3	166.7	-77.4	21	0	0	0	112.4	H68 L69 Y338 S341 V378 D402 I403	H68-N400 PolarHBondContact CD2-OD1 3.22Å; H68-N400 PolarHBondContact NE2-OD1 3.09Å; H68-N400 VanDerWaalsContact NE2-OD1 3.12Å; L69-N400 PolarHBondContact O-N 3.23Å; Y338-N400 PolarHBondContact OH-OD1 3.37Å; S341-N400 PolarHBondContact O-ND2 3.47Å; S341-N400 VanDerWaalsContact O-ND2 3.08Å; V378-N400 WeakPolarHBondContact CG2-OD1 3.27Å; N400-D402 PolarHBondContact O-N 2.71Å; N400-I403 WeakPolarHBondContact O-CG2 3.08Å
401	M	98.8	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-68.8	-22.4	175.6	-63	-175.4	-59	0	0	112.8	A71 A81 G85 Y87 S399 I403 F404 P405 D422	A71-M401 HydrophobicContact CB-CE 4.49Å; A71-M401 HydrophobicContact CB-CG 3.93Å; A71-M401 HydrophobicContact CB-SD 3.92Å; A81-M401 HydrophobicContact CB-CG 3.9Å; A81-M401 HydrophobicContact CB-SD 4.19Å; G85-M401 WeakPolarHBondContact CA-O 3.31Å; Y87-M401 HydrophobicContact CD1-CE 4.04Å; Y87-M401 HydrophobicContact CD1-SD 4.06Å; Y87-M401 HydrophobicContact CD2-CE 4.44Å; Y87-M401 HydrophobicContact CE1-CE 3.62Å; Y87-M401 HydrophobicContact CE1-SD 4.25Å; Y87-M401 HydrophobicContact CE2-CE 4.08Å; Y87-M401 HydrophobicContact CG-CE 4.42Å; Y87-M401 HydrophobicContact CG-SD 4.26Å; S399-M401 PolarHBondContact O-N 3.46Å; S399-M401 VanDerWaalsContact O-N 3.12Å; S399-M401 PolarHBondContact OG-N 3.11Å; M401-I403 PolarHBondContact O-N 3.2Å; M401-F404 WeakPolarHBondContact O-CB 3.39Å; M401-F404 PolarHBondContact O-N 2.88Å; M401-P405 VanDerWaalsContact O-CD 3.29Å; M401-P405 WeakPolarHBondContact O-CD 3.44Å; M401-D422 HydrophobicContact CE-CB 3.72Å; M401-D422 HydrophobicContact SD-CB 3.98Å
402	D	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-70.5	-22.6	-172.1	-66.3	-11.4	0	0	0	113.2	S399 N400 F404 P405 T406 G423 R424 L426 H439	S399-D402 PolarHBondContact N-OD2 3.48Å; S399-D402 WeakPolarHBondContact O-CB 3.48Å; S399-D402 VanDerWaalsContact O-CG 3.29Å; S399-D402 PolarHBondContact O-N 3.06Å; N400-D402 PolarHBondContact O-N 2.71Å; D402-F404 PolarHBondContact O-N 3.3Å; D402-P405 WeakPolarHBondContact O-CD 3.38Å; D402-P405 WeakPolarHBondContact O-CG 3.44Å; D402-T406 VanDerWaalsContact O-CB 3.3Å; D402-T406 WeakPolarHBondContact O-CB 3.47Å; D402-T406 PolarHBondContact O-N 3.48Å; D402-T406 PolarHBondContact O-OG1 2.88Å; D402-G423 VanDerWaalsContact OD1-CA 3.29Å; D402-G423 WeakPolarHBondContact OD1-CA 3.43Å; D402-R424 WeakPolarHBondContact CA-O 3.48Å; D402-R424 WeakPolarHBondContact CB-O 3.26Å; D402-R424 PolarHBondContact OD1-N 3.29Å; D402-L426 HydrophobicContact CB-CD1 3.73Å; D402-L426 HydrophobicContact CB-CD2 3.79Å; D402-L426 HydrophobicContact CB-CG 3.64Å; D402-H439 IonicContact OD1-CD2 3.47Å; D402-H439 IonicContact OD1-CE1 3.8Å; D402-H439 PolarHBondContact OD1-CE1 3.2Å; D402-H439 IonicContact OD1-NE2 3.08Å; D402-H439 PolarHBondContact OD1-NE2 2.76Å; D402-H439 IonicContact OD2-CD2 2.97Å; D402-H439 PolarHBondContact OD2-CD2 2.95Å; D402-H439 IonicContact OD2-NE2 2.99Å; D402-H439 PolarHBondContact OD2-NE2 3.22Å
403	I	98.7	Very high	98.1	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-33	175.8	-160.4	61	0	0	0	111.4	L31 F82 Y338 N400 M401 T406 V407	L31-I403 HydrophobicContact CD1-CG1 4.12Å; L31-I403 HydrophobicContact CD2-CD1 3.86Å; L31-I403 HydrophobicContact CD2-CG1 3.71Å; F82-I403 HydrophobicContact CD2-CG2 3.6Å; F82-I403 HydrophobicContact CE2-CB 4.34Å; F82-I403 HydrophobicContact CE2-CG1 4.48Å; F82-I403 HydrophobicContact CE2-CG2 3.44Å; F82-I403 VanDerWaalsContact CE2-CG2 3.44Å; F82-I403 HydrophobicContact CZ-CG2 4.26Å; Y338-I403 HydrophobicContact CD1-CD1 4.24Å; Y338-I403 HydrophobicContact CD1-CG1 4.23Å; Y338-I403 HydrophobicContact CG-CD1 4.06Å; N400-I403 WeakPolarHBondContact O-CG2 3.08Å; M401-I403 PolarHBondContact O-N 3.2Å; I403-T406 PolarHBondContact O-N 3.22Å; I403-V407 HydrophobicContact CD1-CG1 3.91Å; I403-V407 HydrophobicContact CG1-CG1 3.93Å; I403-V407 WeakPolarHBondContact O-CG1 3.28Å; I403-V407 VanDerWaalsContact O-CG2 3.24Å; I403-V407 WeakPolarHBondContact O-CG2 3.39Å; I403-V407 PolarHBondContact O-N 3.46Å
404	F	98.9	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-57.5	-178.7	174.9	-83.9	0	0	0	111.9	M83 I116 F118 L121 M401 D402 T406 V407 A408 L415 P416 I421	M83-F404 VanDerWaalsContact O-CD2 3.27Å; M83-F404 WeakPolarHBondContact O-CD2 3.34Å; I116-F404 WeakPolarHBondContact O-CE2 3.38Å; F118-F404 HydrophobicContact CB-CD2 3.67Å; F118-F404 HydrophobicContact CB-CE2 4.2Å; F118-F404 HydrophobicContact CB-CG 4.35Å; F118-F404 HydrophobicContact CD1-CB 4.47Å; F118-F404 HydrophobicContact CD1-CD2 4.18Å; F118-F404 HydrophobicContact CG-CD2 4.43Å; F118-F404 VanDerWaalsContact N-CE2 3.3Å; L121-F404 HydrophobicContact CD1-CE1 3.98Å; L121-F404 HydrophobicContact CD1-CE2 4.05Å; L121-F404 HydrophobicContact CD1-CZ 3.51Å; L121-F404 HydrophobicContact CG-CZ 4.47Å; M401-F404 WeakPolarHBondContact O-CB 3.39Å; M401-F404 PolarHBondContact O-N 2.88Å; D402-F404 PolarHBondContact O-N 3.3Å; F404-T406 VanDerWaalsContact C-N 3.35Å; F404-V407 WeakPolarHBondContact O-CG2 3.25Å; F404-A408 WeakPolarHBondContact O-CB 3.44Å; F404-A408 PolarHBondContact O-N 2.86Å; F404-A408 VanDerWaalsContact O-N 3.09Å; F404-L415 HydrophobicContact CD1-CD2 4.12Å; F404-L415 HydrophobicContact CE1-CD2 3.76Å; F404-P416 HydrophobicContact CZ-CG 4.47Å; F404-I421 HydrophobicContact CD1-CD1 4.41Å; F404-I421 HydrophobicContact CD1-CG2 4.06Å; F404-I421 HydrophobicContact CE1-CD1 3.77Å; F404-I421 HydrophobicContact CE1-CG1 4.18Å; F404-I421 HydrophobicContact CE1-CG2 4.32Å; F404-I421 HydrophobicContact CZ-CD1 4.29Å
405	P	98.8	Very high	98	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.032	13%	0.129	C	C	.	.	H	α-helix	trans	-70.6	-31.2	177.2	29.7	-37.6	0	0	0	113.4	M401 D402 A408 K409 L415 R424	M401-P405 VanDerWaalsContact O-CD 3.29Å; M401-P405 WeakPolarHBondContact O-CD 3.44Å; D402-P405 WeakPolarHBondContact O-CD 3.38Å; D402-P405 WeakPolarHBondContact O-CG 3.44Å; P405-A408 PolarHBondContact O-N 2.67Å; P405-K409 WeakPolarHBondContact O-CB 3.1Å; P405-K409 PolarHBondContact O-N 3.34Å; P405-L415 HydrophobicContact CB-CD1 4.01Å; P405-L415 HydrophobicContact CB-CD2 3.99Å; P405-R424 VanDerWaalsContact CG-C 3.46Å
406	T	98.8	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-52.7	176.4	-57.3	0	0	0	0	110.5	D402 I403 F404 K409 L410 L426 M427	D402-T406 VanDerWaalsContact O-CB 3.3Å; D402-T406 WeakPolarHBondContact O-CB 3.47Å; D402-T406 PolarHBondContact O-N 3.48Å; D402-T406 PolarHBondContact O-OG1 2.88Å; I403-T406 PolarHBondContact O-N 3.22Å; F404-T406 VanDerWaalsContact C-N 3.35Å; T406-K409 PolarHBondContact O-N 3.26Å; T406-L410 HydrophobicContact CG2-CD1 4.43Å; T406-L410 WeakPolarHBondContact O-CG 3.38Å; T406-L410 PolarHBondContact O-N 2.86Å; T406-L410 VanDerWaalsContact O-N 3.1Å; T406-L426 HydrophobicContact CG2-CB 4.41Å; T406-L426 PolarHBondContact OG1-N 3.43Å; T406-M427 HydrophobicContact CG2-CG 3.92Å; T406-M427 HydrophobicContact CG2-SD 4.03Å
407	V	98.7	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-72.5	-32.5	-178.6	-59.2	0	0	0	0	112.6	I29 L31 F118 L122 I403 F404 K409 L410 A411	I29-V407 HydrophobicContact CD1-CB 4.05Å; I29-V407 HydrophobicContact CD1-CG1 4.27Å; I29-V407 HydrophobicContact CG2-CG1 3.82Å; L31-V407 HydrophobicContact CD2-CG1 4.37Å; F118-V407 HydrophobicContact CB-CG2 3.63Å; F118-V407 HydrophobicContact CD2-CG2 4.34Å; F118-V407 HydrophobicContact CG-CG2 4.05Å; L122-V407 HydrophobicContact CD1-CB 4.31Å; L122-V407 HydrophobicContact CD1-CG2 3.88Å; L122-V407 HydrophobicContact CD2-CB 4.48Å; I403-V407 HydrophobicContact CD1-CG1 3.91Å; I403-V407 HydrophobicContact CG1-CG1 3.93Å; I403-V407 WeakPolarHBondContact O-CG1 3.28Å; I403-V407 VanDerWaalsContact O-CG2 3.24Å; I403-V407 WeakPolarHBondContact O-CG2 3.39Å; I403-V407 PolarHBondContact O-N 3.46Å; F404-V407 WeakPolarHBondContact O-CG2 3.25Å; V407-K409 VanDerWaalsContact C-N 3.34Å; V407-L410 PolarHBondContact O-N 3.16Å; V407-A411 WeakPolarHBondContact O-CB 3.49Å; V407-A411 PolarHBondContact O-N 3.44Å
408	A	98.4	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-48.2	173.5	0	0	0	0	0	110.5	L121 F404 P405 L410 A411 G412 A413 L415	L121-A408 HydrophobicContact CD1-CB 3.93Å; F404-A408 WeakPolarHBondContact O-CB 3.44Å; F404-A408 PolarHBondContact O-N 2.86Å; F404-A408 VanDerWaalsContact O-N 3.09Å; P405-A408 PolarHBondContact O-N 2.67Å; A408-L410 PolarHBondContact O-N 3.22Å; A408-A411 PolarHBondContact O-N 2.94Å; A408-G412 PolarHBondContact O-N 2.91Å; A408-G412 VanDerWaalsContact O-N 3.12Å; A408-A413 HydrophobicContact CB-CB 4.31Å; A408-A413 PolarHBondContact O-N 2.98Å; A408-L415 HydrophobicContact CB-CD2 3.89Å
409	K	97.5	Very high	98	Very high	120 Å²	120	35 Å²	35	52%	0.522	19%	0.188	S	C	.	.	H	α-helix	trans	-62.8	-44	177.9	-173.1	177.5	-179.3	174.7	0	112.7	P405 T406 V407 A411 G412 D425	P405-K409 WeakPolarHBondContact O-CB 3.1Å; P405-K409 PolarHBondContact O-N 3.34Å; T406-K409 PolarHBondContact O-N 3.26Å; V407-K409 VanDerWaalsContact C-N 3.34Å; K409-A411 VanDerWaalsContact C-N 3.29Å; K409-A411 PolarHBondContact O-N 3.24Å; K409-G412 PolarHBondContact O-N 3.38Å; K409-D425 WeakPolarHBondContact CD-OD2 3.3Å; K409-D425 WeakPolarHBondContact CE-OD2 3.26Å; K409-D425 IonicContact NZ-OD2 2.85Å; K409-D425 PolarHBondContact NZ-OD2 3.3Å
410	L	97.7	Very high	98	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-40.8	176.1	-68	176.3	0	0	0	111.7	L336 W384 T406 V407 A408 G412 M427	L336-L410 HydrophobicContact CD2-CD1 3.45Å; L336-L410 VanDerWaalsContact CD2-CD1 3.45Å; W384-L410 HydrophobicContact CH2-CD2 3.78Å; W384-L410 HydrophobicContact CZ3-CD1 4.06Å; W384-L410 HydrophobicContact CZ3-CD2 3.53Å; W384-L410 HydrophobicContact CZ3-CG 4.45Å; T406-L410 HydrophobicContact CG2-CD1 4.43Å; T406-L410 WeakPolarHBondContact O-CG 3.38Å; T406-L410 PolarHBondContact O-N 2.86Å; T406-L410 VanDerWaalsContact O-N 3.1Å; V407-L410 PolarHBondContact O-N 3.16Å; A408-L410 PolarHBondContact O-N 3.22Å; L410-G412 PolarHBondContact O-N 3.28Å; L410-M427 HydrophobicContact CD1-SD 4.09Å; L410-M427 HydrophobicContact CD2-CE 4.34Å; L410-M427 HydrophobicContact CD2-CG 3.97Å; L410-M427 HydrophobicContact CD2-SD 4.03Å; L410-M427 HydrophobicContact CG-CG 4.3Å; L410-M427 HydrophobicContact CG-SD 4.38Å
411	A	97.2	Very high	98	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-73.8	-8.9	176.7	0	0	0	0	0	114.1	L122 Y127 V407 A408 K409 A413	L122-A411 HydrophobicContact CD1-CB 3.92Å; L122-A411 HydrophobicContact CD2-CB 4.38Å; L122-A411 HydrophobicContact CG-CB 3.66Å; Y127-A411 HydrophobicContact CD2-CB 4.22Å; Y127-A411 HydrophobicContact CE2-CB 3.53Å; V407-A411 WeakPolarHBondContact O-CB 3.49Å; V407-A411 PolarHBondContact O-N 3.44Å; A408-A411 PolarHBondContact O-N 2.94Å; K409-A411 VanDerWaalsContact C-N 3.29Å; K409-A411 PolarHBondContact O-N 3.24Å; A411-A413 HydrophobicContact CB-CB 4.49Å; A411-A413 PolarHBondContact O-N 3.07Å
412	G	96.8	Very high	98	Very high	39 Å²	39	40.6 Å²	40.6	40%	0.402	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	18.5	-170	0	0	0	0	0	113.5	A408 K409 L410	A408-G412 PolarHBondContact O-N 2.91Å; A408-G412 VanDerWaalsContact O-N 3.12Å; K409-G412 PolarHBondContact O-N 3.38Å; L410-G412 PolarHBondContact O-N 3.28Å
413	A	96.9	Very high	98	Very high	8 Å²	8	40.9 Å²	40.9	7%	0.066	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-81	131.5	177.9	0	0	0	0	0	110.7	L121 Q125 A408 A411	L121-A413 HydrophobicContact CB-CB 3.92Å; Q125-A413 HydrophobicContact CG-CB 3.62Å; A408-A413 HydrophobicContact CB-CB 4.31Å; A408-A413 PolarHBondContact O-N 2.98Å; A411-A413 HydrophobicContact CB-CB 4.49Å; A411-A413 PolarHBondContact O-N 3.07Å
414	P	97.1	Very high	98	Very high	92 Å²	92	46.1 Å²	46.1	60%	0.597	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-66	142.7	173.9	28.5	-33.8	0	0	0	110.4
415	L	97.9	Very high	98	Very high	76 Å²	76	47.7 Å²	47.7	40%	0.398	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-72.8	149	169.6	-72	178.2	0	0	0	110.3	F404 P405 A408 E417	F404-L415 HydrophobicContact CD1-CD2 4.12Å; F404-L415 HydrophobicContact CE1-CD2 3.76Å; P405-L415 HydrophobicContact CB-CD1 4.01Å; P405-L415 HydrophobicContact CB-CD2 3.99Å; A408-L415 HydrophobicContact CB-CD2 3.89Å; L415-E417 PolarHBondContact O-N 3.31Å
416	P	97.4	Very high	98	Very high	18 Å²	18	47.8 Å²	47.8	12%	0.117	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-67.1	126.4	175.6	29.2	-34.8	0	0	0	110.4	I116 F404 R419 I421	I116-P416 HydrophobicContact CD1-CB 4.2Å; F404-P416 HydrophobicContact CZ-CG 4.47Å; P416-R419 HydrophobicContact CB-CG 4.11Å; P416-R419 HydrophobicContact CG-CG 4.06Å; P416-I421 HydrophobicContact CG-CD1 3.68Å; P416-I421 HydrophobicContact CG-CG1 3.92Å
417	E	97.9	Very high	97.9	Very high	194 Å²	194	48.1 Å²	48.1	91%	0.907	25%	0.249	S	C	*	.	S	Bend	trans	-92.7	-14.5	-179.9	-62.2	-179.8	179.3	0	0	112.7	L415 R419	L415-E417 PolarHBondContact O-N 3.31Å; E417-R419 PolarHBondContact O-N 3.49Å
418	D	97.6	Very high	97.9	Very high	117 Å²	117	50.1 Å²	50.1	63%	0.626	26%	0.262	S	S	*	.	S	Bend	trans	-77.1	-4.6	-179.3	72.3	-29.7	0	0	0	113.5
419	R	98	Very high	97.8	Very high	48 Å²	48	50.7 Å²	50.7	18%	0.181	27%	0.265	C	S	.	.	S	Bend	trans	-153.4	155.5	-174	74.5	-168.1	65.9	-162.6	-2.4	111.6	N114 E115 P416 E417 I421	N114-R419 PolarHBondContact O-NH1 3.06Å; N114-R419 PolarHBondContact O-NH2 3.04Å; E115-R419 IonicContact OE2-NH1 3.25Å; E115-R419 PolarHBondContact OE2-NH1 3.4Å; P416-R419 HydrophobicContact CB-CG 4.11Å; P416-R419 HydrophobicContact CG-CG 4.06Å; E417-R419 PolarHBondContact O-N 3.49Å; R419-I421 HydrophobicContact CG-CD1 4.32Å
420	I	98.4	Very high	97.8	Very high	77 Å²	77	45 Å²	45	40%	0.395	24%	0.241	S	C	.	.			trans	-71.8	133.4	174	-63.4	167.3	0	0	0	109.9	R86 T540	R86-I420 VanDerWaalsContact CG-O 3.32Å; R86-I420 WeakPolarHBondContact CG-O 3.29Å; R86-I420 PolarHBondContact NH1-O 2.57Å; I420-T540 HydrophobicContact CD1-CG2 4.06Å
421	I	98.7	Very high	97.8	Very high	26 Å²	26	47.9 Å²	47.9	13%	0.133	25%	0.254	C	S	.	.			trans	-104.8	124.5	165.4	-61.1	-55.7	0	0	0	107.7	R86 F404 P416 R419	R86-I421 HydrophobicContact CG-CD1 3.86Å; F404-I421 HydrophobicContact CD1-CD1 4.41Å; F404-I421 HydrophobicContact CD1-CG2 4.06Å; F404-I421 HydrophobicContact CE1-CD1 3.77Å; F404-I421 HydrophobicContact CE1-CG1 4.18Å; F404-I421 HydrophobicContact CE1-CG2 4.32Å; F404-I421 HydrophobicContact CZ-CD1 4.29Å; P416-I421 HydrophobicContact CG-CD1 3.68Å; P416-I421 HydrophobicContact CG-CG1 3.92Å; R419-I421 HydrophobicContact CG-CD1 4.32Å
422	D	98.7	Very high	97.7	Very high	18 Å²	18	49.4 Å²	49.4	10%	0.096	27%	0.269	C	S	.	.			trans	-87.2	-30.8	-178	-58.4	-69.2	0	0	0	111.7	G85 R86 Y87 R90 M401	G85-D422 PolarHBondContact O-N 3.03Å; R86-D422 VanDerWaalsContact CA-OD2 3.29Å; R86-D422 WeakPolarHBondContact CA-OD2 3.46Å; Y87-D422 HydrophobicContact CD2-CB 3.85Å; Y87-D422 WeakPolarHBondContact CD2-OD1 3.46Å; Y87-D422 WeakPolarHBondContact CD2-OD2 3.48Å; Y87-D422 HydrophobicContact CE2-CB 3.87Å; Y87-D422 PolarHBondContact N-OD2 3.09Å; R90-D422 VanDerWaalsContact CD-OD2 3.29Å; R90-D422 WeakPolarHBondContact CD-OD2 3.48Å; R90-D422 IonicContact CZ-OD1 3.36Å; R90-D422 VanDerWaalsContact CZ-OD1 3.3Å; R90-D422 IonicContact CZ-OD2 3.86Å; R90-D422 VanDerWaalsContact NE-CG 3.3Å; R90-D422 IonicContact NE-OD1 3.44Å; R90-D422 PolarHBondContact NE-OD1 2.82Å; R90-D422 IonicContact NE-OD2 3.97Å; R90-D422 PolarHBondContact NE-OD2 2.97Å; R90-D422 IonicContact NH2-OD1 3.19Å; R90-D422 PolarHBondContact NH2-OD1 3.11Å; R90-D422 IonicContact NH2-OD2 3.48Å; M401-D422 HydrophobicContact CE-CB 3.72Å; M401-D422 HydrophobicContact SD-CB 3.98Å
423	G	98.7	Very high	97.6	Very high	5 Å²	5	55 Å²	55	5%	0.052	28%	0.283	C	S	.	.			trans	-60.8	151.5	172.6	0	0	0	0	0	112.1	G85 D402	G85-G423 PolarHBondContact O-N 3.49Å; D402-G423 VanDerWaalsContact OD1-CA 3.29Å; D402-G423 WeakPolarHBondContact OD1-CA 3.43Å
424	R	98.6	Very high	97.6	Very high	113 Å²	113	56.4 Å²	56.4	43%	0.426	29%	0.292	S	S	.	.			trans	-119.1	145.8	177.5	-59.6	-64.1	-176	179	-2.8	111	D402 P405 L426 D438 H439	D402-R424 WeakPolarHBondContact CA-O 3.48Å; D402-R424 WeakPolarHBondContact CB-O 3.26Å; D402-R424 PolarHBondContact OD1-N 3.29Å; P405-R424 VanDerWaalsContact CG-C 3.46Å; R424-L426 PolarHBondContact O-N 3.38Å; R424-D438 HydrophobicContact CB-CB 4.09Å; R424-D438 HydrophobicContact CG-CB 3.71Å; R424-H439 VanDerWaalsContact CG-CE1 3.49Å; R424-H439 WeakPolarHBondContact CG-CE1 3.35Å
425	D	98.4	Very high	97.4	Very high	34 Å²	34	59 Å²	59	18%	0.182	30%	0.296	C	S	.	.			trans	-66.2	123.4	175.3	170.5	31.6	0	0	0	110.3	K409 M427 P428	K409-D425 WeakPolarHBondContact CD-OD2 3.3Å; K409-D425 WeakPolarHBondContact CE-OD2 3.26Å; K409-D425 IonicContact NZ-OD2 2.85Å; K409-D425 PolarHBondContact NZ-OD2 3.3Å; D425-M427 WeakPolarHBondContact OD1-CB 3.3Å; D425-M427 PolarHBondContact OD1-N 2.73Å; D425-P428 WeakPolarHBondContact OD2-CD 3.42Å
426	L	98.1	Very high	97.2	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	29%	0.293	C	S	.	.			trans	-87.5	-14.8	-178.5	-61.4	178.7	0	0	0	113.2	T398 D402 T406 R424 P428 L429 L430	T398-L426 HydrophobicContact CG2-CD2 3.72Å; D402-L426 HydrophobicContact CB-CD1 3.73Å; D402-L426 HydrophobicContact CB-CD2 3.79Å; D402-L426 HydrophobicContact CB-CG 3.64Å; T406-L426 HydrophobicContact CG2-CB 4.41Å; T406-L426 PolarHBondContact OG1-N 3.43Å; R424-L426 PolarHBondContact O-N 3.38Å; L426-P428 VanDerWaalsContact C-CD 3.49Å; L426-L429 WeakPolarHBondContact O-CA 3.29Å; L426-L429 WeakPolarHBondContact O-CB 3.41Å; L426-L429 PolarHBondContact O-N 2.89Å; L426-L430 HydrophobicContact CB-CD1 3.72Å; L426-L430 HydrophobicContact CB-CG 4.07Å; L426-L430 VanDerWaalsContact O-CG 3.28Å; L426-L430 WeakPolarHBondContact O-CG 3.44Å; L426-L430 PolarHBondContact O-N 2.96Å
427	M	97.8	Very high	97.1	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.03	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-42.5	-173.5	-70.7	-51.9	-55.7	0	0	113.8	W384 V387 T406 L410 D425 L429 L430 E431	W384-M427 HydrophobicContact CE3-CE 4.1Å; W384-M427 HydrophobicContact CZ3-CE 3.82Å; W384-M427 HydrophobicContact CZ3-SD 4.37Å; V387-M427 HydrophobicContact CG1-CE 3.88Å; T406-M427 HydrophobicContact CG2-CG 3.92Å; T406-M427 HydrophobicContact CG2-SD 4.03Å; L410-M427 HydrophobicContact CD1-SD 4.09Å; L410-M427 HydrophobicContact CD2-CE 4.34Å; L410-M427 HydrophobicContact CD2-CG 3.97Å; L410-M427 HydrophobicContact CD2-SD 4.03Å; L410-M427 HydrophobicContact CG-CG 4.3Å; L410-M427 HydrophobicContact CG-SD 4.38Å; D425-M427 WeakPolarHBondContact OD1-CB 3.3Å; D425-M427 PolarHBondContact OD1-N 2.73Å; M427-L429 PolarHBondContact O-N 2.97Å; M427-L430 PolarHBondContact O-N 2.64Å; M427-L430 HydrophobicContact SD-CD1 4.03Å; M427-E431 HydrophobicContact CE-CG 3.96Å; M427-E431 WeakPolarHBondContact CE-OE1 3.22Å; M427-E431 WeakPolarHBondContact O-CB 3.17Å; M427-E431 WeakPolarHBondContact O-CG 3.35Å; M427-E431 PolarHBondContact O-N 3.06Å
428	P	97.8	Very high	97	Very high	43 Å²	43	54 Å²	54	28%	0.279	27%	0.273	S	S	.	.	H	α-helix	trans	-58.1	-37.6	175.6	-25.2	35.3	0	0	0	113	D425 L426 G432 K433 S434	D425-P428 WeakPolarHBondContact OD2-CD 3.42Å; L426-P428 VanDerWaalsContact C-CD 3.49Å; P428-G432 PolarHBondContact O-N 3.13Å; P428-K433 HydrophobicContact CB-CB 4.5Å; P428-K433 CarbonylContact O-C 3.44Å; P428-K433 WeakPolarHBondContact O-CA 3.15Å; P428-K433 WeakPolarHBondContact O-CB 3.47Å; P428-K433 PolarHBondContact O-N 3.34Å; P428-S434 PolarHBondContact O-N 3.36Å
429	L	97.5	Very high	97	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-74.6	-41.4	179.2	-165.1	69.8	0	0	0	111.4	I394 E396 T398 L426 M427 E431 G432	I394-L429 HydrophobicContact CD1-CD2 4.26Å; I394-L429 HydrophobicContact CD1-CG 4Å; I394-L429 HydrophobicContact CG2-CD2 3.67Å; I394-L429 HydrophobicContact CG2-CG 4.14Å; E396-L429 HydrophobicContact CB-CD2 4.12Å; E396-L429 HydrophobicContact CG-CD1 4.18Å; T398-L429 HydrophobicContact CG2-CD2 4.1Å; L426-L429 WeakPolarHBondContact O-CA 3.29Å; L426-L429 WeakPolarHBondContact O-CB 3.41Å; L426-L429 PolarHBondContact O-N 2.89Å; M427-L429 PolarHBondContact O-N 2.97Å; L429-E431 VanDerWaalsContact C-N 3.35Å; L429-E431 PolarHBondContact O-N 3.31Å; L429-G432 PolarHBondContact O-N 3.04Å
430	L	97.4	Very high	96.9	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-69.1	-30.9	179.4	-64.3	167.6	0	0	0	113.3	V63 L382 I388 Q392 I394 L426 M427 G432	V63-L430 HydrophobicContact CB-CD2 4Å; V63-L430 HydrophobicContact CG1-CD2 3.88Å; V63-L430 HydrophobicContact CG2-CD2 4.01Å; L382-L430 HydrophobicContact CB-CD2 4.27Å; L382-L430 HydrophobicContact CD1-CD2 4.14Å; L382-L430 HydrophobicContact CD2-CD1 3.78Å; I388-L430 HydrophobicContact CD1-CB 4.38Å; I388-L430 HydrophobicContact CD1-CD1 4.31Å; I388-L430 HydrophobicContact CG1-CB 4.34Å; Q392-L430 PolarHBondContact OE1-O 3.36Å; I394-L430 HydrophobicContact CD1-CD2 3.95Å; L426-L430 HydrophobicContact CB-CD1 3.72Å; L426-L430 HydrophobicContact CB-CG 4.07Å; L426-L430 VanDerWaalsContact O-CG 3.28Å; L426-L430 WeakPolarHBondContact O-CG 3.44Å; L426-L430 PolarHBondContact O-N 2.96Å; M427-L430 PolarHBondContact O-N 2.64Å; M427-L430 HydrophobicContact SD-CD1 4.03Å; L430-G432 VanDerWaalsContact C-N 3.3Å
431	E	96.3	Very high	96.9	Very high	72 Å²	72	48.1 Å²	48.1	34%	0.336	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.1	174.9	-67.4	176.3	-152.9	0	0	112.6	V387 M427 L429 K433	V387-E431 HydrophobicContact CG1-CG 3.78Å; M427-E431 HydrophobicContact CE-CG 3.96Å; M427-E431 WeakPolarHBondContact CE-OE1 3.22Å; M427-E431 WeakPolarHBondContact O-CB 3.17Å; M427-E431 WeakPolarHBondContact O-CG 3.35Å; M427-E431 PolarHBondContact O-N 3.06Å; L429-E431 VanDerWaalsContact C-N 3.35Å; L429-E431 PolarHBondContact O-N 3.31Å; E431-K433 HydrophobicContact CB-CD 4.18Å; E431-K433 HydrophobicContact CB-CG 4.09Å; E431-K433 PolarHBondContact O-N 3.24Å; E431-K433 WeakPolarHBondContact OE2-CD 3.3Å; E431-K433 WeakPolarHBondContact OE2-CE 3.36Å; E431-K433 IonicContact OE2-NZ 2.61Å; E431-K433 PolarHBondContact OE2-NZ 3.17Å
432	G	94.8	Very high	96.9	Very high	32 Å²	32	47 Å²	47	33%	0.33	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	11.4	-176.3	0	0	0	0	0	114.7	P428 L429 L430 Q435	P428-G432 PolarHBondContact O-N 3.13Å; L429-G432 PolarHBondContact O-N 3.04Å; L430-G432 VanDerWaalsContact C-N 3.3Å; G432-Q435 PolarHBondContact O-NE2 3.26Å
433	K	96.3	Very high	96.9	Very high	157 Å²	157	47.1 Å²	47.1	68%	0.683	24%	0.236	S	C	*	.	S	Bend	trans	-72.7	-28.6	175.7	-68.2	175.9	173.1	168.4	0	112.5	P428 E431	P428-K433 HydrophobicContact CB-CB 4.5Å; P428-K433 CarbonylContact O-C 3.44Å; P428-K433 WeakPolarHBondContact O-CA 3.15Å; P428-K433 WeakPolarHBondContact O-CB 3.47Å; P428-K433 PolarHBondContact O-N 3.34Å; E431-K433 HydrophobicContact CB-CD 4.18Å; E431-K433 HydrophobicContact CB-CG 4.09Å; E431-K433 PolarHBondContact O-N 3.24Å; E431-K433 WeakPolarHBondContact OE2-CD 3.3Å; E431-K433 WeakPolarHBondContact OE2-CE 3.36Å; E431-K433 IonicContact OE2-NZ 2.61Å; E431-K433 PolarHBondContact OE2-NZ 3.17Å
434	S	95.6	Very high	96.9	Very high	38 Å²	38	47.1 Å²	47.1	27%	0.266	23%	0.234	S	C	.	.			trans	-115.8	146.5	166.9	-172.6	0	0	0	0	109.6	P428 H436	P428-S434 PolarHBondContact O-N 3.36Å; S434-H436 PolarHBondContact OG-N 3.16Å; S434-H436 PolarHBondContact OG-O 3.42Å
435	Q	92.8	Very high	96.9	Very high	145 Å²	145	41.9 Å²	41.9	68%	0.678	22%	0.215	S	C	*	.	S	Bend	trans	-96.4	-18.6	171	-60.7	-58.8	-48.6	0	0	112.2	E396 G432	E396-Q435 WeakPolarHBondContact CG-O 3.47Å; G432-Q435 PolarHBondContact O-NE2 3.26Å
436	H	94.8	Very high	96.9	Very high	72 Å²	72	40.5 Å²	40.5	33%	0.333	21%	0.208	S	C	.	.	S	Bend	trans	-116.7	142.7	-179.5	-69.4	-66.7	0	0	0	111.4	E396 S434	E396-H436 IonicContact OE1-ND1 3.07Å; E396-H436 PolarHBondContact OE1-ND1 3.02Å; E396-H436 VanDerWaalsContact OE2-CA 3.3Å; E396-H436 WeakPolarHBondContact OE2-CA 3.14Å; E396-H436 IonicContact OE2-CG 2.73Å; E396-H436 IonicContact OE2-ND1 2.72Å; E396-H436 PolarHBondContact OE2-ND1 3.11Å; S434-H436 PolarHBondContact OG-N 3.16Å; S434-H436 PolarHBondContact OG-O 3.42Å
437	S	95.3	Very high	96.9	Very high	7 Å²	7	40.7 Å²	40.7	5%	0.049	21%	0.208	C	C	.	.			trans	-72.5	153.6	165.7	63.8	0	0	0	0	110.3	E396 P397 H439	E396-S437 PolarHBondContact OE2-N 3.23Å; E396-S437 PolarHBondContact OE2-OG 3.36Å; P397-S437 VanDerWaalsContact O-CB 3.31Å; P397-S437 WeakPolarHBondContact O-CB 3.3Å; P397-S437 PolarHBondContact O-OG 2.65Å; S437-H439 PolarHBondContact O-N 2.89Å
438	D	95.1	Very high	96.9	Very high	104 Å²	104	40.9 Å²	40.9	56%	0.556	21%	0.211	S	C	*	.	S	Bend	trans	-77.7	18.5	173.1	-72.6	-15.5	0	0	0	112.7	R424	R424-D438 HydrophobicContact CB-CB 4.09Å; R424-D438 HydrophobicContact CG-CB 3.71Å
439	H	97.5	Very high	96.9	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	21%	0.209	C	C	.	.			trans	-102.9	68.7	-179.7	-75.7	-54.4	0	0	0	111.8	P397 D402 R424 S437 F441 L442	P397-H439 HydrophobicContact CG-CB 4.37Å; D402-H439 IonicContact OD1-CD2 3.47Å; D402-H439 IonicContact OD1-CE1 3.8Å; D402-H439 PolarHBondContact OD1-CE1 3.2Å; D402-H439 IonicContact OD1-NE2 3.08Å; D402-H439 PolarHBondContact OD1-NE2 2.76Å; D402-H439 IonicContact OD2-CD2 2.97Å; D402-H439 PolarHBondContact OD2-CD2 2.95Å; D402-H439 IonicContact OD2-NE2 2.99Å; D402-H439 PolarHBondContact OD2-NE2 3.22Å; R424-H439 VanDerWaalsContact CG-CE1 3.49Å; R424-H439 WeakPolarHBondContact CG-CE1 3.35Å; S437-H439 PolarHBondContact O-N 2.89Å; H439-F441 VanDerWaalsContact C-N 3.33Å; H439-L442 HydrophobicContact CB-CD1 4.1Å; H439-L442 HydrophobicContact CB-CG 4.08Å; H439-L442 WeakPolarHBondContact ND1-CD2 3.18Å
440	E	96.3	Very high	97	Very high	74 Å²	74	42.5 Å²	42.5	35%	0.346	21%	0.213	S	C	.	.	S	Bend	trans	-64.4	-41.4	168.4	-178.4	177	176.7	0	0	110.6	W455 H456	E440-W455 CarbonylContact O-C 3.55Å; E440-W455 VanDerWaalsContact O-CA 3.32Å; E440-W455 WeakPolarHBondContact O-CA 3.21Å; E440-W455 PolarHBondContact OE1-NE1 3.09Å; E440-H456 PolarHBondContact O-N 2.78Å
441	F	98.5	Very high	97	Very high	36 Å²	36	42.5 Å²	42.5	16%	0.158	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.4	176.7	-69.4	-84.2	0	0	0	111.5	H439 F443 V453 R454 W455 V529 A533	H439-F441 VanDerWaalsContact C-N 3.33Å; F441-F443 HydrophobicContact CB-CE2 4.19Å; F441-F443 HydrophobicContact CB-CZ 3.98Å; F441-V453 HydrophobicContact CD1-CG1 4.3Å; F441-R454 WeakPolarHBondContact CA-O 3.41Å; F441-W455 HydrophobicContact CD1-CB 3.87Å; F441-W455 AromaticContact CD1-CD1 3.67Å; F441-W455 AromaticContact CD1-CG 3.98Å; F441-W455 HydrophobicContact CD1-CG 3.98Å; F441-W455 HydrophobicContact CE1-CB 3.68Å; F441-W455 AromaticContact CE1-CD1 3.19Å; F441-W455 HydrophobicContact CE1-CD2 4.16Å; F441-W455 AromaticContact CE1-CG 3.41Å; F441-W455 HydrophobicContact CE1-CG 3.41Å; F441-W455 VanDerWaalsContact CE1-CG 3.41Å; F441-W455 AromaticContact CE1-NE1 3.81Å; F441-W455 AromaticContact CE2-CD1 3.67Å; F441-W455 AromaticContact CE2-NE1 3.76Å; F441-W455 AromaticContact CZ-CD1 3.19Å; F441-W455 HydrophobicContact CZ-CD2 4.26Å; F441-W455 AromaticContact CZ-CG 3.8Å; F441-W455 HydrophobicContact CZ-CG 3.8Å; F441-W455 AromaticContact CZ-NE1 3.33Å; F441-W455 VanDerWaalsContact CZ-NE1 3.33Å; F441-V529 HydrophobicContact CE1-CG1 4.28Å; F441-V529 HydrophobicContact CZ-CG1 3.73Å; F441-A533 HydrophobicContact CD1-CB 3.46Å; F441-A533 VanDerWaalsContact CD1-CB 3.46Å; F441-A533 HydrophobicContact CD2-CB 4.22Å; F441-A533 HydrophobicContact CE1-CB 3.36Å; F441-A533 HydrophobicContact CE2-CB 4.15Å; F441-A533 HydrophobicContact CG-CB 3.89Å; F441-A533 HydrophobicContact CZ-CB 3.73Å
442	L	98.8	Very high	97.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.6	170.6	-79.9	169.6	0	0	0	110.2	L69 P397 H439 R454	L69-L442 HydrophobicContact CD1-CD1 3.43Å; L69-L442 VanDerWaalsContact CD1-CD1 3.43Å; P397-L442 HydrophobicContact CB-CD1 4.02Å; H439-L442 HydrophobicContact CB-CD1 4.1Å; H439-L442 HydrophobicContact CB-CG 4.08Å; H439-L442 WeakPolarHBondContact ND1-CD2 3.18Å; L442-R454 HydrophobicContact CB-CB 4.22Å; L442-R454 PolarHBondContact N-O 3.12Å; L442-R454 PolarHBondContact O-N 2.73Å
443	F	98.8	Very high	97.3	Very high	20 Å²	20	37.6 Å²	37.6	9%	0.088	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.3	-179	-53	-83.6	0	0	0	109.7	Y87 F441 Y445 L450 V453 A533 H537	Y87-F443 HydrophobicContact CE1-CB 4.31Å; Y87-F443 WeakPolarHBondContact CE1-O 3.32Å; Y87-F443 HydrophobicContact CE2-CB 4.29Å; Y87-F443 AromaticContact CE2-CD2 3.83Å; Y87-F443 HydrophobicContact CE2-CD2 3.83Å; Y87-F443 AromaticContact CZ-CD2 4Å; Y87-F443 PolarHBondContact OH-N 3.47Å; Y87-F443 PolarHBondContact OH-O 3.17Å; F441-F443 HydrophobicContact CB-CE2 4.19Å; F441-F443 HydrophobicContact CB-CZ 3.98Å; F443-Y445 HydrophobicContact CB-CD2 4.31Å; F443-Y445 HydrophobicContact CB-CE2 3.87Å; F443-L450 HydrophobicContact CB-CD1 3.99Å; F443-L450 HydrophobicContact CD1-CD1 4.41Å; F443-V453 HydrophobicContact CD1-CG1 4.04Å; F443-V453 HydrophobicContact CD1-CG2 3.88Å; F443-V453 HydrophobicContact CE1-CG1 4.01Å; F443-V453 HydrophobicContact CE1-CG2 4.37Å; F443-A533 HydrophobicContact CE1-CB 4.49Å; F443-A533 HydrophobicContact CZ-CB 4.47Å; F443-H537 HydrophobicContact CD1-CB 4.06Å; F443-H537 AromaticContact CD1-CD2 3.83Å; F443-H537 AromaticContact CD1-CG 3.87Å; F443-H537 HydrophobicContact CD2-CB 4.33Å; F443-H537 AromaticContact CD2-CE1 3.8Å; F443-H537 AromaticContact CD2-CG 3.72Å; F443-H537 AromaticContact CD2-ND1 3.55Å; F443-H537 HydrophobicContact CE1-CB 3.52Å; F443-H537 AromaticContact CE1-CG 3.83Å; F443-H537 HydrophobicContact CE2-CB 3.83Å; F443-H537 AromaticContact CE2-CG 3.67Å; F443-H537 AromaticContact CE2-ND1 3.59Å; F443-H537 HydrophobicContact CG-CB 4.44Å; F443-H537 AromaticContact CG-CD2 3.76Å; F443-H537 AromaticContact CG-CG 3.83Å; F443-H537 AromaticContact CG-NE2 3.96Å; F443-H537 HydrophobicContact CZ-CB 3.4Å; F443-H537 VanDerWaalsContact CZ-CB 3.4Å; F443-H537 AromaticContact CZ-CG 3.74Å
444	H	98.8	Very high	97.5	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	104.8	-177.9	-58.6	-57.3	0	0	0	109.2	N371 N451 A452 R454	N371-H444 HydrophobicContact CB-CB 4.06Å; H444-N451 WeakPolarHBondContact O-CB 3.34Å; H444-N451 PolarHBondContact O-N 2.83Å; H444-A452 WeakPolarHBondContact CA-O 2.99Å; H444-A452 HydrophobicContact CB-CB 4.08Å; H444-A452 WeakPolarHBondContact CB-O 3.48Å; H444-A452 PolarHBondContact N-O 2.82Å; H444-A452 PolarHBondContact O-N 3.21Å; H444-R454 VanDerWaalsContact NE2-CB 3.31Å; H444-R454 WeakPolarHBondContact NE2-CB 3.39Å
445	Y	98.7	Very high	97.6	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.4	-179.9	-79.7	-89.7	0	0	0	111.1	P73 Y87 V89 N371 F443 N447 L450 H537 L541	P73-Y445 WeakPolarHBondContact CD-O 3.21Å; Y87-Y445 HydrophobicContact CD1-CD2 4.15Å; Y87-Y445 HydrophobicContact CD1-CE2 4.4Å; Y87-Y445 HydrophobicContact CG-CE2 4.41Å; V89-Y445 HydrophobicContact CB-CE1 4.44Å; V89-Y445 HydrophobicContact CG1-CD1 3.65Å; V89-Y445 HydrophobicContact CG1-CE1 3.72Å; V89-Y445 HydrophobicContact CG1-CG 4.25Å; V89-Y445 HydrophobicContact CG2-CD1 4.43Å; V89-Y445 HydrophobicContact CG2-CD2 4.49Å; V89-Y445 HydrophobicContact CG2-CE1 3.97Å; V89-Y445 HydrophobicContact CG2-CE2 4.02Å; N371-Y445 PolarHBondContact ND2-O 3.25Å; N371-Y445 PolarHBondContact OD1-O 3.1Å; F443-Y445 HydrophobicContact CB-CD2 4.31Å; F443-Y445 HydrophobicContact CB-CE2 3.87Å; Y445-N447 WeakPolarHBondContact CB-O 3.3Å; Y445-L450 HydrophobicContact CD1-CB 4.19Å; Y445-L450 HydrophobicContact CD1-CD1 4.46Å; Y445-L450 HydrophobicContact CD2-CD1 4.25Å; Y445-L450 HydrophobicContact CE1-CB 3.75Å; Y445-L450 HydrophobicContact CE1-CD1 4.15Å; Y445-L450 HydrophobicContact CE2-CD1 3.94Å; Y445-L450 HydrophobicContact CG-CD1 4.5Å; Y445-H537 AromaticContact CE2-NE2 3.48Å; Y445-H537 WeakPolarHBondContact CE2-NE2 3.4Å; Y445-H537 AromaticContact CZ-NE2 3.55Å; Y445-H537 PolarHBondContact OH-CD2 3.49Å; Y445-H537 PolarHBondContact OH-NE2 3.08Å; Y445-L541 WeakPolarHBondContact OH-CD1 3.35Å
446	C	98.2	Very high	97.9	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.034	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	95.8	163.9	-167.1	0	0	0	0	107	N371 A448 Y449 N451 F469 C489	N371-C446 PolarHBondContact ND2-N 3.2Å; C446-A448 PolarHBondContact O-N 3.03Å; C446-Y449 PolarHBondContact N-O 2.97Å; C446-Y449 WeakPolarHBondContact O-CB 3.37Å; C446-Y449 WeakPolarHBondContact O-CD2 3.44Å; C446-Y449 PolarHBondContact O-N 2.98Å; C446-N451 HydrophobicContact CB-CB 3.74Å; C446-F469 HydrophobicContact CB-CE2 4.35Å; C446-F469 HydrophobicContact CB-CZ 4.08Å; C446-C489 VanDerWaalsContact CA-SG 3.57Å; C446-C489 HydrophobicContact CB-CB 3.61Å; C446-C489 WeakPolarHBondContact CB-SG 3.04Å; C446-C489 WeakPolarHBondContact O-CB 3.44Å; C446-C489 PolarHBondContact O-SG 3.41Å; C446-C489 VanDerWaalsContact SG-CA 3.54Å; C446-C489 WeakPolarHBondContact SG-CB 3.06Å; C446-C489 CovalentContact SG-SG 2.02Å; C446-C489 PolarHBondContact SG-SG 3.12Å
447	N	97.6	Very high	97.9	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.053	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-125.1	-163	-62.2	-62.6	0	0	0	111.2	L74 S95 G100 Y445 Y449 C489	L74-N447 WeakPolarHBondContact CD1-OD1 3.45Å; S95-N447 WeakPolarHBondContact O-CB 3.43Å; G100-N447 WeakPolarHBondContact CA-OD1 3.48Å; Y445-N447 WeakPolarHBondContact CB-O 3.3Å; N447-Y449 VanDerWaalsContact C-N 3.28Å; N447-Y449 PolarHBondContact O-N 2.89Å; N447-C489 PolarHBondContact ND2-SG 2.96Å; N447-C489 VanDerWaalsContact ND2-SG 3.38Å
448	A	97.8	Very high	97.5	Very high	10 Å²	10	23.9 Å²	23.9	8%	0.083	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.4	-179.4	0	0	0	0	0	114.2	A94 S95 W96 C446	A94-A448 HydrophobicContact CB-CB 4.28Å; S95-A448 PolarHBondContact O-N 3.26Å; S95-A448 VanDerWaalsContact O-N 3.15Å; W96-A448 HydrophobicContact CD2-CB 3.45Å; W96-A448 VanDerWaalsContact CD2-CB 3.45Å; W96-A448 HydrophobicContact CE3-CB 3.8Å; W96-A448 HydrophobicContact CG-CB 3.96Å; W96-A448 HydrophobicContact CH2-CB 3.88Å; W96-A448 HydrophobicContact CZ2-CB 3.55Å; W96-A448 HydrophobicContact CZ3-CB 4Å; C446-A448 PolarHBondContact O-N 3.03Å
449	Y	98.5	Very high	97.3	Very high	58 Å²	58	27 Å²	27	23%	0.227	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.2	-176.3	-55.7	-86	0	0	0	110.6	W96 C446 N447 N451 C489 F490	W96-Y449 HydrophobicContact CE3-CD1 4.09Å; W96-Y449 AromaticContact CE3-CE1 3.6Å; W96-Y449 HydrophobicContact CE3-CE1 3.6Å; W96-Y449 HydrophobicContact CE3-CE2 4.2Å; W96-Y449 AromaticContact CE3-CZ 3.66Å; W96-Y449 AromaticContact CZ3-CD1 3.94Å; W96-Y449 HydrophobicContact CZ3-CD1 3.94Å; W96-Y449 AromaticContact CZ3-CE1 3.84Å; W96-Y449 HydrophobicContact CZ3-CE1 3.84Å; W96-Y449 PolarHBondContact O-OH 3.36Å; C446-Y449 PolarHBondContact N-O 2.97Å; C446-Y449 WeakPolarHBondContact O-CB 3.37Å; C446-Y449 WeakPolarHBondContact O-CD2 3.44Å; C446-Y449 PolarHBondContact O-N 2.98Å; N447-Y449 VanDerWaalsContact C-N 3.28Å; N447-Y449 PolarHBondContact O-N 2.89Å; Y449-N451 PolarHBondContact O-N 2.71Å; Y449-N451 VanDerWaalsContact O-N 3.12Å; Y449-C489 HydrophobicContact CD2-CB 3.47Å; Y449-C489 VanDerWaalsContact CD2-CB 3.47Å; Y449-C489 HydrophobicContact CE2-CB 4.1Å; Y449-C489 HydrophobicContact CG-CB 4.19Å; Y449-F490 HydrophobicContact CE1-CB 4.11Å; Y449-F490 HydrophobicContact CE2-CB 4.02Å; Y449-F490 AromaticContact CE2-CD1 3.97Å; Y449-F490 HydrophobicContact CE2-CD1 3.97Å; Y449-F490 HydrophobicContact CE2-CG 4.28Å
450	L	98.6	Very high	97.1	Very high	30 Å²	30	28.7 Å²	28.7	16%	0.157	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	111.9	172.9	180	57.9	0	0	0	109.3	F443 Y445 V453 F468 F469 A534 T538	F443-L450 HydrophobicContact CB-CD1 3.99Å; F443-L450 HydrophobicContact CD1-CD1 4.41Å; Y445-L450 HydrophobicContact CD1-CB 4.19Å; Y445-L450 HydrophobicContact CD1-CD1 4.46Å; Y445-L450 HydrophobicContact CD2-CD1 4.25Å; Y445-L450 HydrophobicContact CE1-CB 3.75Å; Y445-L450 HydrophobicContact CE1-CD1 4.15Å; Y445-L450 HydrophobicContact CE2-CD1 3.94Å; Y445-L450 HydrophobicContact CG-CD1 4.5Å; L450-V453 HydrophobicContact CD1-CG2 4.26Å; L450-V453 HydrophobicContact CD2-CG2 4.48Å; L450-F468 HydrophobicContact CD2-CD2 4.43Å; L450-F468 HydrophobicContact CD2-CE2 3.82Å; L450-F468 HydrophobicContact CG-CD2 4.1Å; L450-F468 HydrophobicContact CG-CE2 3.91Å; L450-F469 WeakPolarHBondContact O-CE1 3.45Å; L450-A534 HydrophobicContact CD2-CB 3.92Å; L450-T538 HydrophobicContact CD2-CG2 4.25Å
451	N	98.7	Very high	97	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-46.8	-167.1	176	-127.6	0	0	0	113.2	N371 H444 C446 Y449 F468 F469	N371-N451 VanDerWaalsContact CB-OD1 3.27Å; N371-N451 WeakPolarHBondContact CB-OD1 3.41Å; N371-N451 WeakPolarHBondContact ND2-CB 3.29Å; N371-N451 PolarHBondContact ND2-OD1 2.9Å; H444-N451 WeakPolarHBondContact O-CB 3.34Å; H444-N451 PolarHBondContact O-N 2.83Å; C446-N451 HydrophobicContact CB-CB 3.74Å; Y449-N451 PolarHBondContact O-N 2.71Å; Y449-N451 VanDerWaalsContact O-N 3.12Å; N451-F468 PolarHBondContact O-N 2.99Å; N451-F469 HydrophobicContact CB-CE1 3.82Å; N451-F469 HydrophobicContact CB-CE2 4.12Å; N451-F469 HydrophobicContact CB-CZ 3.57Å; N451-F469 WeakPolarHBondContact ND2-CD2 3.48Å; N451-F469 WeakPolarHBondContact ND2-CE1 3.48Å; N451-F469 WeakPolarHBondContact ND2-CE2 3.28Å; N451-F469 VanDerWaalsContact ND2-CG 3.32Å; N451-F469 WeakPolarHBondContact ND2-CG 3.13Å; N451-F469 WeakPolarHBondContact ND2-CZ 3.31Å; N451-F469 PolarHBondContact ND2-O 2.78Å
452	A	98.8	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.8	177.2	0	0	0	0	0	111.2	H444 A466 F467	H444-A452 WeakPolarHBondContact CA-O 2.99Å; H444-A452 HydrophobicContact CB-CB 4.08Å; H444-A452 WeakPolarHBondContact CB-O 3.48Å; H444-A452 PolarHBondContact N-O 2.82Å; H444-A452 PolarHBondContact O-N 3.21Å; A452-A466 CarbonylContact C-O 3.59Å; A452-A466 WeakPolarHBondContact CA-O 3.16Å; A452-A466 VanDerWaalsContact CB-O 3.28Å; A452-A466 WeakPolarHBondContact CB-O 3.37Å; A452-F467 HydrophobicContact CB-CD1 3.65Å; A452-F467 HydrophobicContact CB-CD2 4.44Å; A452-F467 HydrophobicContact CB-CE1 3.84Å; A452-F467 HydrophobicContact CB-CG 3.97Å; A452-F467 HydrophobicContact CB-CZ 4.33Å
453	V	98.9	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129	174.1	-178.7	0	0	0	0	108.4	F441 F443 L450 K465 A466 F468 I530 A534	F441-V453 HydrophobicContact CD1-CG1 4.3Å; F443-V453 HydrophobicContact CD1-CG1 4.04Å; F443-V453 HydrophobicContact CD1-CG2 3.88Å; F443-V453 HydrophobicContact CE1-CG1 4.01Å; F443-V453 HydrophobicContact CE1-CG2 4.37Å; L450-V453 HydrophobicContact CD1-CG2 4.26Å; L450-V453 HydrophobicContact CD2-CG2 4.48Å; V453-K465 WeakPolarHBondContact O-CA 3.38Å; V453-A466 PolarHBondContact N-O 3.49Å; V453-A466 PolarHBondContact O-N 3.38Å; V453-F468 HydrophobicContact CG2-CE2 3.88Å; V453-F468 HydrophobicContact CG2-CZ 4.13Å; V453-I530 HydrophobicContact CB-CG2 3.61Å; V453-I530 HydrophobicContact CG1-CG2 3.78Å; V453-I530 HydrophobicContact CG2-CG2 4.33Å; V453-A534 HydrophobicContact CG2-CB 4.25Å
454	R	98.8	Very high	96.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.5	171.8	165.2	172.7	-83.3	136.4	-3.8	109.1	E373 F441 L442 H444 I463 W464	E373-R454 IonicContact OE1-CZ 2.94Å; E373-R454 IonicContact OE1-NH1 3.41Å; E373-R454 IonicContact OE1-NH2 3.32Å; E373-R454 PolarHBondContact OE1-NH2 3.11Å; E373-R454 IonicContact OE2-CZ 2.71Å; E373-R454 IonicContact OE2-NH1 3.39Å; E373-R454 IonicContact OE2-NH2 2.81Å; E373-R454 PolarHBondContact OE2-NH2 3.04Å; F441-R454 WeakPolarHBondContact CA-O 3.41Å; L442-R454 HydrophobicContact CB-CB 4.22Å; L442-R454 PolarHBondContact N-O 3.12Å; L442-R454 PolarHBondContact O-N 2.73Å; H444-R454 VanDerWaalsContact NE2-CB 3.31Å; H444-R454 WeakPolarHBondContact NE2-CB 3.39Å; R454-I463 HydrophobicContact CG-CG2 3.88Å; R454-W464 CarbonylContact C-O 3.57Å; R454-W464 VanDerWaalsContact CA-O 3.28Å; R454-W464 WeakPolarHBondContact CA-O 3.14Å
455	W	98.7	Very high	96.9	Very high	21 Å²	21	29.2 Å²	29.2	8%	0.08	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.4	174	177.7	44.3	0	0	0	110.1	E440 F441 P457 W464 I526 V529 I530	E440-W455 CarbonylContact O-C 3.55Å; E440-W455 VanDerWaalsContact O-CA 3.32Å; E440-W455 WeakPolarHBondContact O-CA 3.21Å; E440-W455 PolarHBondContact OE1-NE1 3.09Å; F441-W455 HydrophobicContact CD1-CB 3.87Å; F441-W455 AromaticContact CD1-CD1 3.67Å; F441-W455 AromaticContact CD1-CG 3.98Å; F441-W455 HydrophobicContact CD1-CG 3.98Å; F441-W455 HydrophobicContact CE1-CB 3.68Å; F441-W455 AromaticContact CE1-CD1 3.19Å; F441-W455 HydrophobicContact CE1-CD2 4.16Å; F441-W455 AromaticContact CE1-CG 3.41Å; F441-W455 HydrophobicContact CE1-CG 3.41Å; F441-W455 VanDerWaalsContact CE1-CG 3.41Å; F441-W455 AromaticContact CE1-NE1 3.81Å; F441-W455 AromaticContact CE2-CD1 3.67Å; F441-W455 AromaticContact CE2-NE1 3.76Å; F441-W455 AromaticContact CZ-CD1 3.19Å; F441-W455 HydrophobicContact CZ-CD2 4.26Å; F441-W455 AromaticContact CZ-CG 3.8Å; F441-W455 HydrophobicContact CZ-CG 3.8Å; F441-W455 AromaticContact CZ-NE1 3.33Å; F441-W455 VanDerWaalsContact CZ-NE1 3.33Å; W455-P457 HydrophobicContact CD2-CB 4.47Å; W455-P457 HydrophobicContact CD2-CG 4.43Å; W455-P457 HydrophobicContact CH2-CB 4.28Å; W455-P457 HydrophobicContact CZ2-CB 3.66Å; W455-P457 HydrophobicContact CZ2-CG 4.26Å; W455-P457 WeakPolarHBondContact O-CD 3.27Å; W455-W464 HydrophobicContact CB-CB 4.4Å; W455-W464 HydrophobicContact CE3-CB 4.27Å; W455-W464 AromaticContact CE3-CD1 3.41Å; W455-W464 VanDerWaalsContact CE3-CD1 3.41Å; W455-W464 HydrophobicContact CE3-CG 4.08Å; W455-W464 AromaticContact CZ3-CD1 3.82Å; W455-W464 PolarHBondContact N-O 2.83Å; W455-W464 PolarHBondContact O-N 3.47Å; W455-I526 HydrophobicContact CE3-CG2 4.05Å; W455-I526 HydrophobicContact CZ3-CB 4.33Å; W455-I526 HydrophobicContact CZ3-CG1 4.18Å; W455-I526 HydrophobicContact CZ3-CG2 4.06Å; W455-V529 HydrophobicContact CD2-CG1 4.26Å; W455-V529 HydrophobicContact CE3-CG1 4.43Å; W455-V529 HydrophobicContact CH2-CB 4.29Å; W455-V529 HydrophobicContact CH2-CG1 3.95Å; W455-V529 HydrophobicContact CH2-CG2 4.46Å; W455-V529 HydrophobicContact CZ2-CG1 3.73Å; W455-V529 HydrophobicContact CZ3-CB 4.41Å; W455-V529 HydrophobicContact CZ3-CG1 4.3Å; W455-I530 HydrophobicContact CB-CD1 4.17Å; W455-I530 HydrophobicContact CB-CG1 3.87Å; W455-I530 HydrophobicContact CE3-CG1 4.26Å; W455-I530 HydrophobicContact CG-CG1 4.47Å
456	H	98.1	Very high	96.9	Very high	9 Å²	9	29 Å²	29	4%	0.042	16%	0.157	C	C	.	.			trans	-114.8	88	173.4	-178.6	44.8	0	0	0	109.1	E396 P397 E440 Q458 S460 S462 I463	E396-H456 IonicContact OE1-NE2 3.73Å; E396-H456 PolarHBondContact OE1-NE2 3.04Å; E396-H456 IonicContact OE2-CD2 3.3Å; E396-H456 IonicContact OE2-NE2 3.47Å; P397-H456 HydrophobicContact CG-CB 3.93Å; E440-H456 PolarHBondContact O-N 2.78Å; H456-Q458 PolarHBondContact O-N 3.46Å; H456-S460 PolarHBondContact CE1-O 3.49Å; H456-S462 PolarHBondContact ND1-O 3.01Å; H456-S462 VanDerWaalsContact ND1-O 3.11Å; H456-I463 HydrophobicContact CB-CG1 4.48Å
457	P	95.5	Very high	96.9	Very high	16 Å²	16	28.8 Å²	28.8	10%	0.104	16%	0.155	C	C	.	.			trans	-61.5	134.4	-177.2	20.4	-32.4	0	0	0	112.8	W455 N459 S460	W455-P457 HydrophobicContact CD2-CB 4.47Å; W455-P457 HydrophobicContact CD2-CG 4.43Å; W455-P457 HydrophobicContact CH2-CB 4.28Å; W455-P457 HydrophobicContact CZ2-CB 3.66Å; W455-P457 HydrophobicContact CZ2-CG 4.26Å; W455-P457 WeakPolarHBondContact O-CD 3.27Å; P457-N459 PolarHBondContact O-N 3.41Å; P457-S460 PolarHBondContact O-N 3Å
458	Q	87.1	Confident	97	Very high	84 Å²	84	29.8 Å²	29.8	39%	0.393	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-31	-176.5	-132	71.3	6.5	0	0	115.7	H456	H456-Q458 PolarHBondContact O-N 3.46Å
459	N	90.8	Very high	97	Very high	169 Å²	169	29.8 Å²	29.8	90%	0.904	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	17.2	-176.2	-65.2	-37.3	0	0	0	113.4	P457	P457-N459 PolarHBondContact O-N 3.41Å
460	S	93.7	Very high	97	Very high	45 Å²	45	27.7 Å²	27.7	32%	0.315	15%	0.151	S	C	.	.			trans	-151.1	150.6	-179.8	168.2	0	0	0	0	112.1	H456 P457 S462	H456-S460 PolarHBondContact CE1-O 3.49Å; P457-S460 PolarHBondContact O-N 3Å; S460-S462 VanDerWaalsContact C-N 3.31Å; S460-S462 PolarHBondContact OG-N 2.86Å
461	T	93.4	Very high	97	Very high	118 Å²	118	26.9 Å²	26.9	72%	0.724	15%	0.147	S	C	*	.	S	Bend	trans	-86.6	-2.7	174.6	57.8	0	0	0	0	113	S506	T461-S506 WeakPolarHBondContact O-CB 3.46Å
462	S	97.2	Very high	96.9	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.084	16%	0.163	C	C	.	.			trans	-67.4	148.4	174.1	-80.7	0	0	0	0	111.3	H456 S460 D504	H456-S462 PolarHBondContact ND1-O 3.01Å; H456-S462 VanDerWaalsContact ND1-O 3.11Å; S460-S462 VanDerWaalsContact C-N 3.31Å; S460-S462 PolarHBondContact OG-N 2.86Å; S462-D504 PolarHBondContact OG-OD2 3.38Å
463	I	98.4	Very high	96.8	Very high	8 Å²	8	31 Å²	31	4%	0.041	17%	0.168	C	C	.	.			trans	-129.4	94	179.4	-64	164.4	0	0	0	106.7	Q67 R454 H456 D504 I505	Q67-I463 VanDerWaalsContact CD-CD1 3.49Å; R454-I463 HydrophobicContact CG-CG2 3.88Å; H456-I463 HydrophobicContact CB-CG1 4.48Å; I463-D504 PolarHBondContact N-OD1 2.65Å; I463-D504 CarbonylContact O-C 3.47Å; I463-D504 WeakPolarHBondContact O-CA 3.17Å; I463-I505 HydrophobicContact CB-CB 4.23Å; I463-I505 HydrophobicContact CG2-CB 4.02Å; I463-I505 HydrophobicContact CG2-CG1 4.34Å; I463-I505 PolarHBondContact O-N 2.76Å
464	W	98.7	Very high	96.4	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	136.2	180	-54.1	108.7	0	0	0	109.2	R454 W455 L502 F503 D504 L515 E520 I526 I530	R454-W464 CarbonylContact C-O 3.57Å; R454-W464 VanDerWaalsContact CA-O 3.28Å; R454-W464 WeakPolarHBondContact CA-O 3.14Å; W455-W464 HydrophobicContact CB-CB 4.4Å; W455-W464 HydrophobicContact CE3-CB 4.27Å; W455-W464 AromaticContact CE3-CD1 3.41Å; W455-W464 VanDerWaalsContact CE3-CD1 3.41Å; W455-W464 HydrophobicContact CE3-CG 4.08Å; W455-W464 AromaticContact CZ3-CD1 3.82Å; W455-W464 PolarHBondContact N-O 2.83Å; W455-W464 PolarHBondContact O-N 3.47Å; W464-L502 HydrophobicContact CB-CD1 4.3Å; W464-F503 CarbonylContact C-O 3.36Å; W464-F503 WeakPolarHBondContact CA-O 3.17Å; W464-D504 HydrophobicContact CE3-CB 3.86Å; W464-D504 HydrophobicContact CH2-CB 4.32Å; W464-D504 HydrophobicContact CZ3-CB 3.61Å; W464-L515 HydrophobicContact CE3-CD1 4.07Å; W464-L515 HydrophobicContact CZ3-CD1 3.45Å; W464-L515 VanDerWaalsContact CZ3-CD1 3.45Å; W464-E520 HydrophobicContact CH2-CG 4.35Å; W464-E520 WeakPolarHBondContact CH2-OE2 3.33Å; W464-E520 HydrophobicContact CZ3-CG 4.4Å; W464-I526 HydrophobicContact CB-CG2 3.89Å; W464-I526 HydrophobicContact CD2-CD1 3.92Å; W464-I526 HydrophobicContact CD2-CG1 4.46Å; W464-I526 HydrophobicContact CD2-CG2 4.04Å; W464-I526 HydrophobicContact CE3-CD1 3.98Å; W464-I526 HydrophobicContact CE3-CG2 4.45Å; W464-I526 HydrophobicContact CG-CG2 3.77Å; W464-I526 HydrophobicContact CH2-CD1 3.81Å; W464-I526 HydrophobicContact CZ2-CD1 3.76Å; W464-I526 HydrophobicContact CZ3-CD1 3.9Å; W464-I530 HydrophobicContact CB-CD1 4.05Å
465	K	98.8	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	114.9	174.9	-169.6	-180	176.9	-169.3	0	109.4	N371 E373 V453 F467 F503 I505 E511	N371-K465 WeakPolarHBondContact O-CE 3.16Å; N371-K465 PolarHBondContact O-NZ 3.41Å; E373-K465 IonicContact OE1-NZ 3.39Å; E373-K465 PolarHBondContact OE1-NZ 2.8Å; V453-K465 WeakPolarHBondContact O-CA 3.38Å; K465-F467 HydrophobicContact CD-CE2 3.95Å; K465-F467 HydrophobicContact CD-CZ 4.2Å; K465-F467 VanDerWaalsContact CE-CZ 3.49Å; K465-F467 HydrophobicContact CG-CE2 4.12Å; K465-F503 PolarHBondContact N-O 3.14Å; K465-F503 PolarHBondContact O-N 3.4Å; K465-I505 HydrophobicContact CB-CD1 4.05Å; K465-I505 HydrophobicContact CB-CG1 3.74Å; K465-I505 HydrophobicContact CD-CD1 3.96Å; K465-I505 HydrophobicContact CD-CG1 4.05Å; K465-E511 WeakPolarHBondContact CD-OE1 3.43Å; K465-E511 WeakPolarHBondContact CE-OE1 3.36Å; K465-E511 IonicContact NZ-OE1 3.49Å; K465-E511 PolarHBondContact NZ-OE1 3.12Å; K465-E511 IonicContact NZ-OE2 3.44Å
466	A	98.9	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.5	177.8	0	0	0	0	0	110	A452 V453 P500 L501 L502 L527 I530	A452-A466 CarbonylContact C-O 3.59Å; A452-A466 WeakPolarHBondContact CA-O 3.16Å; A452-A466 VanDerWaalsContact CB-O 3.28Å; A452-A466 WeakPolarHBondContact CB-O 3.37Å; V453-A466 PolarHBondContact N-O 3.49Å; V453-A466 PolarHBondContact O-N 3.38Å; A466-P500 HydrophobicContact CB-CB 4.14Å; A466-L501 CarbonylContact C-O 3.51Å; A466-L501 WeakPolarHBondContact CA-O 3.19Å; A466-L502 HydrophobicContact CB-CD1 4.21Å; A466-L527 HydrophobicContact CB-CD2 3.76Å; A466-I530 HydrophobicContact CB-CD1 3.97Å; A466-I530 HydrophobicContact CB-CG2 3.89Å
467	F	98.9	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122	173	-74.3	-95.9	0	0	0	109.9	N371 W372 A452 K465 F469 T470 P500 L501 F503 E511	N371-F467 HydrophobicContact CB-CE1 4.35Å; N371-F467 WeakPolarHBondContact O-CZ 3.44Å; W372-F467 HydrophobicContact CD2-CE1 4.41Å; W372-F467 HydrophobicContact CD2-CZ 4.06Å; W372-F467 HydrophobicContact CE3-CE1 4.21Å; W372-F467 AromaticContact CE3-CE2 3.85Å; W372-F467 HydrophobicContact CE3-CE2 3.85Å; W372-F467 AromaticContact CE3-CZ 3.46Å; W372-F467 HydrophobicContact CE3-CZ 3.46Å; W372-F467 VanDerWaalsContact CE3-CZ 3.46Å; W372-F467 HydrophobicContact CH2-CE2 4.38Å; W372-F467 HydrophobicContact CH2-CZ 4.47Å; W372-F467 HydrophobicContact CZ3-CD2 4.3Å; W372-F467 HydrophobicContact CZ3-CE1 4.46Å; W372-F467 AromaticContact CZ3-CE2 3.62Å; W372-F467 HydrophobicContact CZ3-CE2 3.62Å; W372-F467 AromaticContact CZ3-CZ 3.71Å; W372-F467 HydrophobicContact CZ3-CZ 3.71Å; A452-F467 HydrophobicContact CB-CD1 3.65Å; A452-F467 HydrophobicContact CB-CD2 4.44Å; A452-F467 HydrophobicContact CB-CE1 3.84Å; A452-F467 HydrophobicContact CB-CG 3.97Å; A452-F467 HydrophobicContact CB-CZ 4.33Å; K465-F467 HydrophobicContact CD-CE2 3.95Å; K465-F467 HydrophobicContact CD-CZ 4.2Å; K465-F467 VanDerWaalsContact CE-CZ 3.49Å; K465-F467 HydrophobicContact CG-CE2 4.12Å; F467-F469 VanDerWaalsContact C-N 3.32Å; F467-T470 HydrophobicContact CB-CG2 3.95Å; F467-T470 HydrophobicContact CD1-CG2 3.87Å; F467-T470 HydrophobicContact CG-CG2 3.96Å; F467-P500 WeakPolarHBondContact O-CA 3.32Å; F467-L501 HydrophobicContact CB-CB 4.21Å; F467-L501 PolarHBondContact N-O 3.3Å; F467-L501 PolarHBondContact O-N 3.14Å; F467-F503 HydrophobicContact CD2-CD2 4.03Å; F467-F503 HydrophobicContact CD2-CE2 4.06Å; F467-F503 HydrophobicContact CE2-CD2 4.04Å; F467-F503 HydrophobicContact CE2-CE2 4.17Å; F467-E511 WeakPolarHBondContact CE2-OE1 3.45Å
468	F	98.8	Very high	94.9	Very high	30 Å²	30	48.2 Å²	48.2	13%	0.132	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-28.7	170.1	-60.5	-43.3	0	0	0	111.6	L450 N451 V453 H497 P500 Q531 A534	L450-F468 HydrophobicContact CD2-CD2 4.43Å; L450-F468 HydrophobicContact CD2-CE2 3.82Å; L450-F468 HydrophobicContact CG-CD2 4.1Å; L450-F468 HydrophobicContact CG-CE2 3.91Å; N451-F468 PolarHBondContact O-N 2.99Å; V453-F468 HydrophobicContact CG2-CE2 3.88Å; V453-F468 HydrophobicContact CG2-CZ 4.13Å; F468-H497 PolarHBondContact O-N 3.46Å; F468-P500 HydrophobicContact CD1-CB 3.93Å; F468-P500 HydrophobicContact CD1-CG 3.66Å; F468-P500 HydrophobicContact CE1-CB 4.24Å; F468-P500 HydrophobicContact CE1-CG 3.78Å; F468-Q531 VanDerWaalsContact CE1-OE1 3.23Å; F468-A534 HydrophobicContact CE2-CB 4.07Å; F468-A534 HydrophobicContact CZ-CB 3.88Å
469	F	98.8	Very high	95.1	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.044	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	164	169.8	63.3	-88.1	0	0	0	110.6	C446 L450 N451 F467 C489 V494 T495	C446-F469 HydrophobicContact CB-CE2 4.35Å; C446-F469 HydrophobicContact CB-CZ 4.08Å; L450-F469 WeakPolarHBondContact O-CE1 3.45Å; N451-F469 HydrophobicContact CB-CE1 3.82Å; N451-F469 HydrophobicContact CB-CE2 4.12Å; N451-F469 HydrophobicContact CB-CZ 3.57Å; N451-F469 WeakPolarHBondContact ND2-CD2 3.48Å; N451-F469 WeakPolarHBondContact ND2-CE1 3.48Å; N451-F469 WeakPolarHBondContact ND2-CE2 3.28Å; N451-F469 VanDerWaalsContact ND2-CG 3.32Å; N451-F469 WeakPolarHBondContact ND2-CG 3.13Å; N451-F469 WeakPolarHBondContact ND2-CZ 3.31Å; N451-F469 PolarHBondContact ND2-O 2.78Å; F467-F469 VanDerWaalsContact C-N 3.32Å; F469-C489 HydrophobicContact CE2-CB 4.4Å; F469-C489 VanDerWaalsContact CE2-O 3.31Å; F469-C489 WeakPolarHBondContact CE2-O 3.36Å; F469-C489 HydrophobicContact CZ-CB 4.46Å; F469-C489 WeakPolarHBondContact CZ-O 2.97Å; F469-V494 HydrophobicContact CD2-CB 3.85Å; F469-V494 HydrophobicContact CD2-CG1 3.71Å; F469-V494 HydrophobicContact CD2-CG2 4.35Å; F469-V494 HydrophobicContact CE2-CG1 3.95Å; F469-T495 CarbonylContact C-O 3.57Å; F469-T495 WeakPolarHBondContact CA-O 3.32Å; F469-T495 VanDerWaalsContact CB-O 3.28Å; F469-T495 WeakPolarHBondContact CB-O 3.28Å
470	T	98.4	Very high	95.2	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.086	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.1	174.7	51.6	0	0	0	0	110.8	W372 F467 V494 T495 H497 L501	W372-T470 HydrophobicContact CH2-CG2 3.94Å; W372-T470 HydrophobicContact CZ2-CG2 3.64Å; F467-T470 HydrophobicContact CB-CG2 3.95Å; F467-T470 HydrophobicContact CD1-CG2 3.87Å; F467-T470 HydrophobicContact CG-CG2 3.96Å; T470-V494 CarbonylContact O-C 3.59Å; T470-V494 WeakPolarHBondContact O-CA 3.39Å; T470-T495 PolarHBondContact N-O 3.42Å; T470-T495 PolarHBondContact O-N 3.05Å; T470-H497 WeakPolarHBondContact CG2-NE2 3.04Å; T470-H497 PolarHBondContact OG1-NE2 2.89Å; T470-L501 HydrophobicContact CG2-CD2 3.98Å
471	P	97.4	Very high	95.3	Very high	14 Å²	14	36.6 Å²	36.6	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	147.6	173.5	30.6	-36.7	0	0	0	111.3	N370 F473 C487	N370-P471 HydrophobicContact CB-CG 3.88Å; P471-F473 HydrophobicContact CG-CD1 4.39Å; P471-F473 HydrophobicContact CG-CE1 3.98Å; P471-F473 PolarHBondContact O-N 2.82Å; P471-C487 HydrophobicContact CB-CB 3.8Å; P471-C487 HydrophobicContact CG-CB 4.48Å
472	N	96.7	Very high	95.2	Very high	61 Å²	61	34.8 Å²	34.8	33%	0.326	21%	0.21	S	C	.	.			trans	-87.1	95.9	174.1	-64.3	-22.3	0	0	0	109.3	S492 Y493 V494 T495	N472-S492 PolarHBondContact ND2-O 3.4Å; N472-Y493 WeakPolarHBondContact CB-O 3.41Å; N472-Y493 PolarHBondContact N-O 2.77Å; N472-V494 PolarHBondContact ND2-N 3.43Å; N472-V494 PolarHBondContact ND2-O 3.43Å; N472-T495 PolarHBondContact OD1-N 2.88Å; N472-T495 PolarHBondContact OD1-OG1 3.49Å
473	F	96.3	Very high	94.8	Very high	27 Å²	27	37.4 Å²	37.4	12%	0.118	23%	0.232	C	C	.	.			trans	-58.4	139.3	177.2	-70.4	-23.2	0	0	0	112	K365 W372 P471 P475 N479 G480	K365-F473 HydrophobicContact CG-CE2 4.49Å; W372-F473 AromaticContact CD1-CZ 3.38Å; W372-F473 HydrophobicContact CG-CZ 4.44Å; W372-F473 AromaticContact NE1-CE2 3.93Å; W372-F473 AromaticContact NE1-CZ 3.42Å; P471-F473 HydrophobicContact CG-CD1 4.39Å; P471-F473 HydrophobicContact CG-CE1 3.98Å; P471-F473 PolarHBondContact O-N 2.82Å; F473-P475 CarbonylContact C-O 3.59Å; F473-N479 VanDerWaalsContact CE2-CA 3.5Å; F473-N479 WeakPolarHBondContact CZ-O 3.08Å; F473-G480 CarbonylContact C-O 3.59Å; F473-G480 WeakPolarHBondContact CA-O 3.48Å; F473-G480 WeakPolarHBondContact CB-O 3.42Å
474	N	92.1	Very high	94.4	Very high	81 Å²	81	38.2 Å²	38.2	43%	0.433	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-139.4	118.9	-179.2	-171.3	-83.6	0	0	0	109.9	G480 F482 A483	N474-G480 PolarHBondContact N-O 2.79Å; N474-F482 WeakPolarHBondContact O-CB 3.5Å; N474-F482 WeakPolarHBondContact O-CD2 3.49Å; N474-F482 PolarHBondContact O-N 3.2Å; N474-A483 HydrophobicContact CB-CB 4.2Å; N474-A483 WeakPolarHBondContact OD1-CB 3.35Å
475	P	93.3	Very high	94.1	Very high	78 Å²	78	39.9 Å²	39.9	51%	0.506	25%	0.246	S	C	.	.	S	Bend	cis	-66.8	162.2	-3.6	25.3	-29.5	0	0	0	112.9	F473 G477 S478	F473-P475 CarbonylContact C-O 3.59Å; P475-G477 PolarHBondContact O-N 2.85Å; P475-S478 WeakPolarHBondContact O-CB 3.45Å; P475-S478 PolarHBondContact O-N 2.96Å; P475-S478 VanDerWaalsContact O-N 3.1Å; P475-S478 PolarHBondContact O-OG 3.47Å
476	V	90.4	Very high	93.8	Very high	145 Å²	145	41.5 Å²	41.5	88%	0.879	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	132	-179.4	179.2	0	0	0	0	109.9	S478	V476-S478 VanDerWaalsContact C-N 3.32Å; V476-S478 PolarHBondContact O-N 3.31Å
477	G	86.6	Confident	93.7	Very high	72 Å²	72	41.8 Å²	41.8	74%	0.742	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.6	-178.7	0	0	0	0	0	115.5	P475 N479	P475-G477 PolarHBondContact O-N 2.85Å; G477-N479 PolarHBondContact O-N 3.41Å
478	S	87.4	Confident	93.5	Very high	33 Å²	33	42.8 Å²	42.8	23%	0.231	26%	0.262	C	S	.	.	S	Bend	trans	-72.7	-8	-177.4	69.8	0	0	0	0	115.6	P475 V476 G480	P475-S478 WeakPolarHBondContact O-CB 3.45Å; P475-S478 PolarHBondContact O-N 2.96Å; P475-S478 VanDerWaalsContact O-N 3.1Å; P475-S478 PolarHBondContact O-OG 3.47Å; V476-S478 VanDerWaalsContact C-N 3.32Å; V476-S478 PolarHBondContact O-N 3.31Å; S478-G480 PolarHBondContact O-N 3.12Å; S478-G480 PolarHBondContact OG-N 2.82Å; S478-G480 PolarHBondContact OG-O 2.7Å
479	N	92.1	Very high	93.4	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.262	26%	0.257	S	S	.	.	S	Bend	trans	66.6	12.2	-172.5	-155.3	49	0	0	0	115.3	K365 G366 F473 G477	K365-N479 VanDerWaalsContact CG-OD1 3.26Å; K365-N479 WeakPolarHBondContact CG-OD1 3.39Å; G366-N479 VanDerWaalsContact N-CG 3.26Å; G366-N479 PolarHBondContact N-ND2 2.75Å; G366-N479 VanDerWaalsContact N-ND2 3.12Å; G366-N479 PolarHBondContact N-OD1 2.84Å; F473-N479 VanDerWaalsContact CE2-CA 3.5Å; F473-N479 WeakPolarHBondContact CZ-O 3.08Å; G477-N479 PolarHBondContact O-N 3.41Å
480	G	94.1	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-162.8	-179.7	179.1	0	0	0	0	0	114.2	E348 F473 N474 S478	E348-G480 WeakPolarHBondContact OE1-CA 3.35Å; F473-G480 CarbonylContact C-O 3.59Å; F473-G480 WeakPolarHBondContact CA-O 3.48Å; F473-G480 WeakPolarHBondContact CB-O 3.42Å; N474-G480 PolarHBondContact N-O 2.79Å; S478-G480 PolarHBondContact O-N 3.12Å; S478-G480 PolarHBondContact OG-N 2.82Å; S478-G480 PolarHBondContact OG-O 2.7Å
481	C	95.1	Very high	92.9	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.034	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-112	64.2	-176.8	-60.7	0	0	0	0	112.4	E348 A483 T484 H485 C487	E348-C481 VanDerWaalsContact CG-N 3.29Å; E348-C481 PolarHBondContact OE1-N 3.29Å; C481-A483 VanDerWaalsContact C-N 3.27Å; C481-A483 PolarHBondContact O-N 3.42Å; C481-T484 PolarHBondContact O-N 3.45Å; C481-T484 PolarHBondContact O-OG1 3.16Å; C481-H485 PolarHBondContact O-N 3.28Å; C481-H485 VanDerWaalsContact O-N 3.11Å; C481-C487 HydrophobicContact CB-CB 3.93Å; C481-C487 WeakPolarHBondContact CB-SG 3.47Å; C481-C487 WeakPolarHBondContact SG-CA 3.35Å; C481-C487 WeakPolarHBondContact SG-CB 3.31Å; C481-C487 CovalentContact SG-SG 2.04Å; C481-C487 PolarHBondContact SG-SG 2.92Å
482	F	92.1	Very high	92.7	Very high	80 Å²	80	49.9 Å²	49.9	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.4	-173.5	-68.5	-99.2	0	0	0	113.5	V347 E348 V350 N474 T484 H485	V347-F482 HydrophobicContact CG1-CE2 4.39Å; V347-F482 HydrophobicContact CG1-CZ 4.27Å; E348-F482 HydrophobicContact CB-CD1 4.27Å; E348-F482 HydrophobicContact CB-CE1 4.44Å; E348-F482 HydrophobicContact CB-CG 4.44Å; E348-F482 HydrophobicContact CG-CD2 4.29Å; E348-F482 HydrophobicContact CG-CE2 4.49Å; E348-F482 HydrophobicContact CG-CG 4.35Å; V350-F482 HydrophobicContact CG2-CE1 3.94Å; N474-F482 WeakPolarHBondContact O-CB 3.5Å; N474-F482 WeakPolarHBondContact O-CD2 3.49Å; N474-F482 PolarHBondContact O-N 3.2Å; F482-T484 VanDerWaalsContact C-N 3.32Å; F482-T484 PolarHBondContact O-N 3.05Å; F482-H485 PolarHBondContact O-N 3.15Å
483	A	88.3	Confident	92.6	Very high	68 Å²	68	50.8 Å²	50.8	56%	0.562	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.4	179.9	0	0	0	0	0	114.4	N474 C481	N474-A483 HydrophobicContact CB-CB 4.2Å; N474-A483 WeakPolarHBondContact OD1-CB 3.35Å; C481-A483 VanDerWaalsContact C-N 3.27Å; C481-A483 PolarHBondContact O-N 3.42Å
484	T	89.4	Confident	92.6	Very high	24 Å²	24	50 Å²	50	15%	0.147	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	2.1	179	47.6	0	0	0	0	112.5	C481 F482 V486 F488 Y493	C481-T484 PolarHBondContact O-N 3.45Å; C481-T484 PolarHBondContact O-OG1 3.16Å; F482-T484 VanDerWaalsContact C-N 3.32Å; F482-T484 PolarHBondContact O-N 3.05Å; T484-V486 WeakPolarHBondContact CB-O 3.4Å; T484-V486 PolarHBondContact O-N 3.04Å; T484-V486 PolarHBondContact OG1-O 2.86Å; T484-F488 HydrophobicContact CG2-CD2 4.28Å; T484-F488 HydrophobicContact CG2-CE2 3.71Å; T484-Y493 HydrophobicContact CG2-CD1 4.33Å; T484-Y493 HydrophobicContact CG2-CE1 3.84Å
485	H	91.7	Very high	92.9	Very high	46 Å²	46	49.3 Å²	49.3	21%	0.213	31%	0.314	C	S	.	.	S	Bend	trans	66.8	-22	-173.7	-175.9	-123.4	0	0	0	115.2	H346 E348 E349 C481 F482	H346-H485 AromaticContact CE1-CE1 3.53Å; H346-H485 AromaticContact CE1-NE2 3.54Å; H346-H485 AromaticContact NE2-NE2 3.98Å; H346-H485 PolarHBondContact NE2-O 2.68Å; E348-H485 WeakPolarHBondContact CB-O 3.43Å; E349-H485 IonicContact OE2-CD2 3.71Å; E349-H485 IonicContact OE2-CE1 3.5Å; E349-H485 PolarHBondContact OE2-CE1 2.81Å; E349-H485 IonicContact OE2-NE2 3.23Å; E349-H485 PolarHBondContact OE2-NE2 3.12Å; C481-H485 PolarHBondContact O-N 3.28Å; C481-H485 VanDerWaalsContact O-N 3.11Å; F482-H485 PolarHBondContact O-N 3.15Å
486	V	94.1	Very high	93.2	Very high	35 Å²	35	52 Å²	52	21%	0.212	32%	0.319	C	S	.	.	S	Bend	trans	-144.6	152.9	172.1	-68.7	0	0	0	0	109.6	A369 T484 F488	A369-V486 HydrophobicContact CB-CB 3.77Å; A369-V486 HydrophobicContact CB-CG1 4.21Å; T484-V486 WeakPolarHBondContact CB-O 3.4Å; T484-V486 PolarHBondContact O-N 3.04Å; T484-V486 PolarHBondContact OG1-O 2.86Å; V486-F488 HydrophobicContact CG2-CE1 3.9Å; V486-F488 HydrophobicContact CG2-CZ 4.4Å
487	C	95.8	Very high	93.5	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.034	29%	0.288	C	S	.	.			trans	-72.7	145.7	171.2	-62.6	0	0	0	0	112.2	N370 P471 C481	N370-C487 HydrophobicContact CB-CB 4.35Å; P471-C487 HydrophobicContact CB-CB 3.8Å; P471-C487 HydrophobicContact CG-CB 4.48Å; C481-C487 HydrophobicContact CB-CB 3.93Å; C481-C487 WeakPolarHBondContact CB-SG 3.47Å; C481-C487 WeakPolarHBondContact SG-CA 3.35Å; C481-C487 WeakPolarHBondContact SG-CB 3.31Å; C481-C487 CovalentContact SG-SG 2.04Å; C481-C487 PolarHBondContact SG-SG 2.92Å
488	F	95.3	Very high	94	Very high	21 Å²	21	51.6 Å²	51.6	9%	0.092	29%	0.294	C	S	.	.			trans	-108.6	163.3	175.7	-63.3	-47.9	0	0	0	111.5	R98 T484 V486 Y493 V494	R98-F488 HydrophobicContact CB-CD1 4.07Å; R98-F488 HydrophobicContact CB-CE1 3.65Å; R98-F488 HydrophobicContact CB-CZ 3.93Å; R98-F488 HydrophobicContact CG-CD1 4.05Å; R98-F488 HydrophobicContact CG-CD2 4.21Å; R98-F488 HydrophobicContact CG-CE1 3.92Å; R98-F488 HydrophobicContact CG-CE2 4.06Å; R98-F488 HydrophobicContact CG-CG 4.21Å; R98-F488 HydrophobicContact CG-CZ 3.93Å; T484-F488 HydrophobicContact CG2-CD2 4.28Å; T484-F488 HydrophobicContact CG2-CE2 3.71Å; V486-F488 HydrophobicContact CG2-CE1 3.9Å; V486-F488 HydrophobicContact CG2-CZ 4.4Å; F488-Y493 HydrophobicContact CB-CD2 4.1Å; F488-Y493 HydrophobicContact CB-CG 4.2Å; F488-Y493 HydrophobicContact CD2-CD1 4.16Å; F488-Y493 AromaticContact CD2-CD2 3.66Å; F488-Y493 HydrophobicContact CD2-CD2 3.66Å; F488-Y493 HydrophobicContact CD2-CE1 4.3Å; F488-Y493 AromaticContact CD2-CE2 3.81Å; F488-Y493 HydrophobicContact CD2-CE2 3.81Å; F488-Y493 AromaticContact CD2-CG 3.83Å; F488-Y493 HydrophobicContact CD2-CG 3.83Å; F488-Y493 HydrophobicContact CE2-CE2 4.37Å; F488-Y493 HydrophobicContact CG-CD2 4.34Å; F488-V494 VanDerWaalsContact O-CG1 3.28Å; F488-V494 WeakPolarHBondContact O-CG1 3.46Å
489	C	95.7	Very high	94.5	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.041	30%	0.3	C	S	.	.	S	Bend	trans	-100.8	1.8	-171.4	-50.2	0	0	0	0	114.4	C446 N447 Y449 F469 V494	C446-C489 VanDerWaalsContact CA-SG 3.57Å; C446-C489 HydrophobicContact CB-CB 3.61Å; C446-C489 WeakPolarHBondContact CB-SG 3.04Å; C446-C489 WeakPolarHBondContact O-CB 3.44Å; C446-C489 PolarHBondContact O-SG 3.41Å; C446-C489 VanDerWaalsContact SG-CA 3.54Å; C446-C489 WeakPolarHBondContact SG-CB 3.06Å; C446-C489 CovalentContact SG-SG 2.02Å; C446-C489 PolarHBondContact SG-SG 3.12Å; N447-C489 PolarHBondContact ND2-SG 2.96Å; N447-C489 VanDerWaalsContact ND2-SG 3.38Å; Y449-C489 HydrophobicContact CD2-CB 3.47Å; Y449-C489 VanDerWaalsContact CD2-CB 3.47Å; Y449-C489 HydrophobicContact CE2-CB 4.1Å; Y449-C489 HydrophobicContact CG-CB 4.19Å; F469-C489 HydrophobicContact CE2-CB 4.4Å; F469-C489 VanDerWaalsContact CE2-O 3.31Å; F469-C489 WeakPolarHBondContact CE2-O 3.36Å; F469-C489 HydrophobicContact CZ-CB 4.46Å; F469-C489 WeakPolarHBondContact CZ-O 2.97Å; C489-V494 VanDerWaalsContact C-CG1 3.48Å
490	F	93.4	Very high	94.8	Very high	60 Å²	60	51.4 Å²	51.4	26%	0.263	29%	0.294	S	S	.	.	S	Bend	trans	-154.6	169.9	-170.5	71.2	-81.8	0	0	0	113.1	R98 Y449 Y493	R98-F490 HydrophobicContact CG-CE1 3.92Å; R98-F490 HydrophobicContact CG-CZ 3.73Å; Y449-F490 HydrophobicContact CE1-CB 4.11Å; Y449-F490 HydrophobicContact CE2-CB 4.02Å; Y449-F490 AromaticContact CE2-CD1 3.97Å; Y449-F490 HydrophobicContact CE2-CD1 3.97Å; Y449-F490 HydrophobicContact CE2-CG 4.28Å; F490-Y493 WeakPolarHBondContact O-CD2 3.47Å
491	G	93.1	Very high	95	Very high	53 Å²	53	53.3 Å²	53.3	55%	0.546	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	69	-147.5	174.2	0	0	0	0	0	113	Y493 V494	G491-Y493 PolarHBondContact O-N 3.45Å; G491-V494 WeakPolarHBondContact O-CG2 3.25Å; G491-V494 PolarHBondContact O-N 2.91Å
492	S	93.1	Very high	95.2	Very high	99 Å²	99	53.1 Å²	53.1	69%	0.692	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-69.8	-1.1	-178.8	61.9	0	0	0	0	114.4	N472	N472-S492 PolarHBondContact ND2-O 3.4Å
493	Y	94.8	Very high	95.5	Very high	79 Å²	79	49.6 Å²	49.6	31%	0.31	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-92.3	-4.2	-177.8	-54.4	-71.3	0	0	0	113.1	N472 T484 F488 F490 G491	N472-Y493 WeakPolarHBondContact CB-O 3.41Å; N472-Y493 PolarHBondContact N-O 2.77Å; T484-Y493 HydrophobicContact CG2-CD1 4.33Å; T484-Y493 HydrophobicContact CG2-CE1 3.84Å; F488-Y493 HydrophobicContact CB-CD2 4.1Å; F488-Y493 HydrophobicContact CB-CG 4.2Å; F488-Y493 HydrophobicContact CD2-CD1 4.16Å; F488-Y493 AromaticContact CD2-CD2 3.66Å; F488-Y493 HydrophobicContact CD2-CD2 3.66Å; F488-Y493 HydrophobicContact CD2-CE1 4.3Å; F488-Y493 AromaticContact CD2-CE2 3.81Å; F488-Y493 HydrophobicContact CD2-CE2 3.81Å; F488-Y493 AromaticContact CD2-CG 3.83Å; F488-Y493 HydrophobicContact CD2-CG 3.83Å; F488-Y493 HydrophobicContact CE2-CE2 4.37Å; F488-Y493 HydrophobicContact CG-CD2 4.34Å; F490-Y493 WeakPolarHBondContact O-CD2 3.47Å; G491-Y493 PolarHBondContact O-N 3.45Å
494	V	97.5	Very high	96	Very high	12 Å²	12	46.6 Å²	46.6	7%	0.073	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.4	-179.6	-60.6	0	0	0	0	111.4	F469 T470 N472 F488 C489 G491	F469-V494 HydrophobicContact CD2-CB 3.85Å; F469-V494 HydrophobicContact CD2-CG1 3.71Å; F469-V494 HydrophobicContact CD2-CG2 4.35Å; F469-V494 HydrophobicContact CE2-CG1 3.95Å; T470-V494 CarbonylContact O-C 3.59Å; T470-V494 WeakPolarHBondContact O-CA 3.39Å; N472-V494 PolarHBondContact ND2-N 3.43Å; N472-V494 PolarHBondContact ND2-O 3.43Å; F488-V494 VanDerWaalsContact O-CG1 3.28Å; F488-V494 WeakPolarHBondContact O-CG1 3.46Å; C489-V494 VanDerWaalsContact C-CG1 3.48Å; G491-V494 WeakPolarHBondContact O-CG2 3.25Å; G491-V494 PolarHBondContact O-N 2.91Å
495	T	98.1	Very high	96.4	Very high	66 Å²	66	45.5 Å²	45.5	41%	0.405	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.9	168.6	-63	0	0	0	0	108.1	F469 T470 N472 H497	F469-T495 CarbonylContact C-O 3.57Å; F469-T495 WeakPolarHBondContact CA-O 3.32Å; F469-T495 VanDerWaalsContact CB-O 3.28Å; F469-T495 WeakPolarHBondContact CB-O 3.28Å; T470-T495 PolarHBondContact N-O 3.42Å; T470-T495 PolarHBondContact O-N 3.05Å; N472-T495 PolarHBondContact OD1-N 2.88Å; N472-T495 PolarHBondContact OD1-OG1 3.49Å; T495-H497 PolarHBondContact O-NE2 2.9Å
496	H	98.4	Very high	96.7	Very high	134 Å²	134	45.8 Å²	45.8	62%	0.62	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	149.6	175	-72.1	-91.2	0	0	0	111
497	H	98.4	Very high	96.8	Very high	48 Å²	48	51.4 Å²	51.4	22%	0.222	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.1	-177	-56.7	-65.6	0	0	0	110.4	F468 T470 T495 P499 L501	F468-H497 PolarHBondContact O-N 3.46Å; T470-H497 WeakPolarHBondContact CG2-NE2 3.04Å; T470-H497 PolarHBondContact OG1-NE2 2.89Å; T495-H497 PolarHBondContact O-NE2 2.9Å; H497-P499 CarbonylContact C-O 3.46Å; H497-L501 HydrophobicContact CB-CB 4.11Å
498	D	96.9	Very high	96.9	Very high	161 Å²	161	52.1 Å²	52.1	86%	0.861	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.9	110	172.6	-175.3	13.9	0	0	0	109.4
499	P	97.6	Very high	97.1	Very high	57 Å²	57	52.9 Å²	52.9	37%	0.37	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-64.6	161.2	-2.8	28.6	-36	0	0	0	112.9	H497 F523 Y524 L527	H497-P499 CarbonylContact C-O 3.46Å; P499-F523 HydrophobicContact CB-CE1 4.22Å; P499-F523 HydrophobicContact CG-CE1 3.86Å; P499-F523 HydrophobicContact CG-CZ 4.29Å; P499-Y524 HydrophobicContact CG-CE1 4.37Å; P499-L527 HydrophobicContact CB-CD1 3.83Å
500	P	98.6	Very high	97.1	Very high	20 Å²	20	58.1 Å²	58.1	13%	0.13	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	143	179.3	-26.7	33.6	0	0	0	113.5	A466 F467 F468 L502 L527	A466-P500 HydrophobicContact CB-CB 4.14Å; F467-P500 WeakPolarHBondContact O-CA 3.32Å; F468-P500 HydrophobicContact CD1-CB 3.93Å; F468-P500 HydrophobicContact CD1-CG 3.66Å; F468-P500 HydrophobicContact CE1-CB 4.24Å; F468-P500 HydrophobicContact CE1-CG 3.78Å; P500-L502 PolarHBondContact O-N 3.15Å; P500-L527 HydrophobicContact CB-CD2 4Å; P500-L527 HydrophobicContact CG-CD2 4.45Å
501	L	98.7	Very high	97.3	Very high	41 Å²	41	55.4 Å²	55.4	22%	0.215	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118.8	-179.1	178.8	73.2	0	0	0	110.3	W372 A466 F467 T470 H497 F503 P514	W372-L501 HydrophobicContact CH2-CD2 4.3Å; A466-L501 CarbonylContact C-O 3.51Å; A466-L501 WeakPolarHBondContact CA-O 3.19Å; F467-L501 HydrophobicContact CB-CB 4.21Å; F467-L501 PolarHBondContact N-O 3.3Å; F467-L501 PolarHBondContact O-N 3.14Å; T470-L501 HydrophobicContact CG2-CD2 3.98Å; H497-L501 HydrophobicContact CB-CB 4.11Å; L501-F503 HydrophobicContact CD2-CE2 3.61Å; L501-F503 HydrophobicContact CD2-CZ 3.99Å; L501-F503 HydrophobicContact CG-CE2 3.67Å; L501-F503 HydrophobicContact CG-CZ 4.21Å; L501-P514 HydrophobicContact CD1-CB 3.48Å; L501-P514 VanDerWaalsContact CD1-CB 3.48Å; L501-P514 HydrophobicContact CD1-CG 4.24Å; L501-P514 HydrophobicContact CG-CB 4.34Å
502	L	98.8	Very high	97.4	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.2	-170.4	-174	63.7	0	0	0	113	W464 A466 P500 P514 L515 F523 I526 L527 I530	W464-L502 HydrophobicContact CB-CD1 4.3Å; A466-L502 HydrophobicContact CB-CD1 4.21Å; P500-L502 PolarHBondContact O-N 3.15Å; L502-P514 WeakPolarHBondContact O-CA 3.41Å; L502-L515 HydrophobicContact CB-CB 4.45Å; L502-L515 HydrophobicContact CD2-CB 4.49Å; L502-L515 HydrophobicContact CD2-CD1 4.49Å; L502-L515 HydrophobicContact CG-CB 4.46Å; L502-L515 HydrophobicContact CG-CD1 4.42Å; L502-L515 PolarHBondContact O-N 2.96Å; L502-F523 HydrophobicContact CB-CD2 4.32Å; L502-F523 HydrophobicContact CB-CE2 3.73Å; L502-F523 HydrophobicContact CB-CZ 4.48Å; L502-F523 HydrophobicContact CD2-CD2 3.74Å; L502-F523 HydrophobicContact CD2-CE2 4.01Å; L502-I526 HydrophobicContact CD1-CG2 4.01Å; L502-I526 HydrophobicContact CD2-CB 4.33Å; L502-I526 HydrophobicContact CD2-CD1 4.41Å; L502-I526 HydrophobicContact CD2-CG2 3.99Å; L502-L527 HydrophobicContact CB-CD2 4.23Å; L502-L527 HydrophobicContact CD1-CD2 4.07Å; L502-L527 HydrophobicContact CD2-CD2 4.41Å; L502-L527 HydrophobicContact CD2-CG 4.42Å; L502-L527 HydrophobicContact CG-CD2 4.47Å; L502-I530 HydrophobicContact CD1-CD1 4.27Å
503	F	98.8	Very high	97.6	Very high	5 Å²	5	61 Å²	61	2%	0.022	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.6	170.1	-64.2	-92.7	0	0	0	111.2	W372 W464 K465 F467 L501 I505 E511 P514	W372-F503 AromaticContact CH2-CE2 3.91Å; W372-F503 HydrophobicContact CH2-CE2 3.91Å; W372-F503 AromaticContact CH2-CZ 3.92Å; W372-F503 HydrophobicContact CH2-CZ 3.92Å; W372-F503 HydrophobicContact CZ3-CD2 4.42Å; W372-F503 AromaticContact CZ3-CE2 3.66Å; W372-F503 HydrophobicContact CZ3-CE2 3.66Å; W372-F503 AromaticContact CZ3-CZ 3.82Å; W372-F503 HydrophobicContact CZ3-CZ 3.82Å; W464-F503 CarbonylContact C-O 3.36Å; W464-F503 WeakPolarHBondContact CA-O 3.17Å; K465-F503 PolarHBondContact N-O 3.14Å; K465-F503 PolarHBondContact O-N 3.4Å; F467-F503 HydrophobicContact CD2-CD2 4.03Å; F467-F503 HydrophobicContact CD2-CE2 4.06Å; F467-F503 HydrophobicContact CE2-CD2 4.04Å; F467-F503 HydrophobicContact CE2-CE2 4.17Å; L501-F503 HydrophobicContact CD2-CE2 3.61Å; L501-F503 HydrophobicContact CD2-CZ 3.99Å; L501-F503 HydrophobicContact CG-CE2 3.67Å; L501-F503 HydrophobicContact CG-CZ 4.21Å; F503-I505 HydrophobicContact CB-CD1 3.84Å; F503-E511 HydrophobicContact CD1-CB 4.27Å; F503-E511 HydrophobicContact CE1-CB 4.27Å; F503-P514 HydrophobicContact CE1-CB 3.92Å; F503-P514 HydrophobicContact CZ-CB 3.89Å
504	D	98.4	Very high	97.8	Very high	5 Å²	5	60 Å²	60	3%	0.027	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	99.3	162.1	-171.2	-0.7	0	0	0	108.9	S462 I463 W464 S506 K507 D508 L515	S462-D504 PolarHBondContact OG-OD2 3.38Å; I463-D504 PolarHBondContact N-OD1 2.65Å; I463-D504 CarbonylContact O-C 3.47Å; I463-D504 WeakPolarHBondContact O-CA 3.17Å; W464-D504 HydrophobicContact CE3-CB 3.86Å; W464-D504 HydrophobicContact CH2-CB 4.32Å; W464-D504 HydrophobicContact CZ3-CB 3.61Å; D504-S506 PolarHBondContact O-N 3.04Å; D504-S506 PolarHBondContact OD1-N 3.33Å; D504-S506 PolarHBondContact OD1-OG 3.22Å; D504-K507 HydrophobicContact CB-CB 4.5Å; D504-K507 PolarHBondContact O-N 3.39Å; D504-K507 WeakPolarHBondContact OD2-CD 3.29Å; D504-K507 WeakPolarHBondContact OD2-CE 3.44Å; D504-K507 IonicContact OD2-NZ 3.64Å; D504-D508 PolarHBondContact O-N 3.44Å; D504-L515 HydrophobicContact CB-CD1 3.99Å
505	I	98.3	Very high	97.8	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.8	-174.1	-51.7	-59.5	0	0	0	111.7	E373 I463 K465 F503 K507 P509 E511	E373-I505 HydrophobicContact CG-CG2 4.12Å; I463-I505 HydrophobicContact CB-CB 4.23Å; I463-I505 HydrophobicContact CG2-CB 4.02Å; I463-I505 HydrophobicContact CG2-CG1 4.34Å; I463-I505 PolarHBondContact O-N 2.76Å; K465-I505 HydrophobicContact CB-CD1 4.05Å; K465-I505 HydrophobicContact CB-CG1 3.74Å; K465-I505 HydrophobicContact CD-CD1 3.96Å; K465-I505 HydrophobicContact CD-CG1 4.05Å; F503-I505 HydrophobicContact CB-CD1 3.84Å; I505-K507 VanDerWaalsContact C-N 3.28Å; I505-K507 PolarHBondContact O-N 2.85Å; I505-P509 WeakPolarHBondContact O-CA 3.17Å; I505-E511 HydrophobicContact CD1-CG 3.37Å
506	S	97.1	Very high	97.8	Very high	52 Å²	52	60.7 Å²	60.7	36%	0.364	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.7	176.4	78.3	0	0	0	0	111.4	T461 D504	T461-S506 WeakPolarHBondContact O-CB 3.46Å; D504-S506 PolarHBondContact O-N 3.04Å; D504-S506 PolarHBondContact OD1-N 3.33Å; D504-S506 PolarHBondContact OD1-OG 3.22Å
507	K	97.1	Very high	97.7	Very high	153 Å²	153	57.4 Å²	57.4	67%	0.665	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-39.9	178.7	-65.8	178.7	-173.4	163	0	112.9	D504 I505 P509	D504-K507 HydrophobicContact CB-CB 4.5Å; D504-K507 PolarHBondContact O-N 3.39Å; D504-K507 WeakPolarHBondContact OD2-CD 3.29Å; D504-K507 WeakPolarHBondContact OD2-CE 3.44Å; D504-K507 IonicContact OD2-NZ 3.64Å; I505-K507 VanDerWaalsContact C-N 3.28Å; I505-K507 PolarHBondContact O-N 2.85Å; K507-P509 VanDerWaalsContact C-CD 3.49Å; K507-P509 WeakPolarHBondContact O-CD 3.37Å
508	D	97.9	Very high	97.6	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.107	32%	0.323	C	S	.	.			trans	-121.6	76.4	178	-174.3	13.3	0	0	0	111.6	D504 R510 E511 R512 N513	D504-D508 PolarHBondContact O-N 3.44Å; D508-R510 PolarHBondContact O-N 2.91Å; D508-R510 WeakPolarHBondContact OD1-CB 3.38Å; D508-R510 PolarHBondContact OD1-N 2.9Å; D508-R510 VanDerWaalsContact OD1-N 3.14Å; D508-E511 PolarHBondContact O-N 2.67Å; D508-E511 VanDerWaalsContact O-N 3.11Å; D508-E511 PolarHBondContact OD1-N 2.04Å; D508-R512 PolarHBondContact OD2-N 3.07Å; D508-N513 PolarHBondContact OD2-N 2.87Å; D508-N513 PolarHBondContact OD2-ND2 3.27Å
509	P	97.6	Very high	97.6	Very high	36 Å²	36	56.4 Å²	56.4	23%	0.234	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.1	175.7	26.9	-35.5	0	0	0	113.2	I363 Y364 I505 K507	I363-P509 HydrophobicContact CD1-CB 4.05Å; I363-P509 HydrophobicContact CD1-CG 3.91Å; Y364-P509 VanDerWaalsContact CD1-O 3.29Å; Y364-P509 WeakPolarHBondContact CD1-O 3.26Å; Y364-P509 HydrophobicContact CE1-CB 4.05Å; I505-P509 WeakPolarHBondContact O-CA 3.17Å; K507-P509 VanDerWaalsContact C-CD 3.49Å; K507-P509 WeakPolarHBondContact O-CD 3.37Å
510	R	97.4	Very high	97.6	Very high	117 Å²	117	54.9 Å²	54.9	44%	0.442	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.5	178.7	-55.6	-178.7	178.7	-163.8	-1.4	112.3	I363 K365 D508 R512	I363-R510 HydrophobicContact CB-CG 4.41Å; K365-R510 WeakPolarHBondContact CB-O 3.17Å; D508-R510 PolarHBondContact O-N 2.91Å; D508-R510 WeakPolarHBondContact OD1-CB 3.38Å; D508-R510 PolarHBondContact OD1-N 2.9Å; D508-R510 VanDerWaalsContact OD1-N 3.14Å; R510-R512 VanDerWaalsContact C-N 3.27Å; R510-R512 HydrophobicContact CB-CG 3.82Å; R510-R512 WeakPolarHBondContact O-CG 3.45Å; R510-R512 PolarHBondContact O-N 2.8Å
511	E	97.2	Very high	97.5	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.009	33%	0.327	C	S	.	.			trans	48.5	47.6	-177.6	-67.8	176.4	120.8	0	0	112.4	K365 W372 E373 K465 F467 F503 I505 D508	K365-E511 HydrophobicContact CB-CB 4.24Å; K365-E511 HydrophobicContact CD-CB 4.04Å; K365-E511 VanDerWaalsContact CD-O 3.3Å; K365-E511 WeakPolarHBondContact CD-O 3.25Å; W372-E511 HydrophobicContact CE3-CB 3.86Å; W372-E511 HydrophobicContact CE3-CG 4.27Å; W372-E511 HydrophobicContact CZ3-CB 3.85Å; W372-E511 HydrophobicContact CZ3-CG 4.43Å; E373-E511 HydrophobicContact CG-CG 4.28Å; E373-E511 WeakPolarHBondContact CG-OE2 3.33Å; E373-E511 PolarHBondContact N-OE2 3.33Å; K465-E511 WeakPolarHBondContact CD-OE1 3.43Å; K465-E511 WeakPolarHBondContact CE-OE1 3.36Å; K465-E511 IonicContact NZ-OE1 3.49Å; K465-E511 PolarHBondContact NZ-OE1 3.12Å; K465-E511 IonicContact NZ-OE2 3.44Å; F467-E511 WeakPolarHBondContact CE2-OE1 3.45Å; F503-E511 HydrophobicContact CD1-CB 4.27Å; F503-E511 HydrophobicContact CE1-CB 4.27Å; I505-E511 HydrophobicContact CD1-CG 3.37Å; D508-E511 PolarHBondContact O-N 2.67Å; D508-E511 VanDerWaalsContact O-N 3.11Å; D508-E511 PolarHBondContact OD1-N 2.04Å
512	R	95.6	Very high	97.4	Very high	162 Å²	162	63.4 Å²	63.4	61%	0.611	34%	0.339	S	S	*	.			trans	-103.7	-29.2	-177.4	-68.6	-175	-174.8	-168.1	-0.8	112.9	D508 R510 P514	D508-R512 PolarHBondContact OD2-N 3.07Å; R510-R512 VanDerWaalsContact C-N 3.27Å; R510-R512 HydrophobicContact CB-CG 3.82Å; R510-R512 WeakPolarHBondContact O-CG 3.45Å; R510-R512 PolarHBondContact O-N 2.8Å; R512-P514 WeakPolarHBondContact O-CD 3.4Å
513	N	96.7	Very high	97.4	Very high	108 Å²	108	63.8 Å²	63.8	58%	0.578	34%	0.34	S	S	*	.	S	Bend	trans	-117.5	91.3	-170.4	-49.3	-69.9	0	0	0	108.8	D508	D508-N513 PolarHBondContact OD2-N 2.87Å; D508-N513 PolarHBondContact OD2-ND2 3.27Å
514	P	97.9	Very high	97.4	Very high	59 Å²	59	70.7 Å²	70.7	38%	0.383	37%	0.367	S	S	.	.			trans	-64.5	145.6	176.8	28	-34.2	0	0	0	110.7	L501 L502 F503 R512	L501-P514 HydrophobicContact CD1-CB 3.48Å; L501-P514 VanDerWaalsContact CD1-CB 3.48Å; L501-P514 HydrophobicContact CD1-CG 4.24Å; L501-P514 HydrophobicContact CG-CB 4.34Å; L502-P514 WeakPolarHBondContact O-CA 3.41Å; F503-P514 HydrophobicContact CE1-CB 3.92Å; F503-P514 HydrophobicContact CZ-CB 3.89Å; R512-P514 WeakPolarHBondContact O-CD 3.4Å
515	L	98.3	Very high	97.4	Very high	35 Å²	35	75.8 Å²	75.8	18%	0.183	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-82.2	152.6	174.7	-60.1	177.9	0	0	0	110.2	W464 L502 D504 E520 F523	W464-L515 HydrophobicContact CE3-CD1 4.07Å; W464-L515 HydrophobicContact CZ3-CD1 3.45Å; W464-L515 VanDerWaalsContact CZ3-CD1 3.45Å; L502-L515 HydrophobicContact CB-CB 4.45Å; L502-L515 HydrophobicContact CD2-CB 4.49Å; L502-L515 HydrophobicContact CD2-CD1 4.49Å; L502-L515 HydrophobicContact CG-CB 4.46Å; L502-L515 HydrophobicContact CG-CD1 4.42Å; L502-L515 PolarHBondContact O-N 2.96Å; D504-L515 HydrophobicContact CB-CD1 3.99Å; L515-E520 HydrophobicContact CB-CB 4.3Å; L515-E520 HydrophobicContact CD1-CB 4.37Å; L515-F523 HydrophobicContact CB-CD2 4.44Å; L515-F523 WeakPolarHBondContact O-CE2 3.33Å
516	T	97.6	Very high	97.4	Very high	56 Å²	56	75.7 Å²	75.7	34%	0.344	39%	0.391	S	S	.	.			trans	-140.6	166.4	-178.2	67.8	0	0	0	0	108.7	A518 T519 E520	T516-A518 PolarHBondContact O-N 2.89Å; T516-A518 PolarHBondContact OG1-N 3.31Å; T516-T519 PolarHBondContact N-OG1 3.4Å; T516-T519 PolarHBondContact O-N 2.83Å; T516-T519 PolarHBondContact O-OG1 3.38Å; T516-T519 PolarHBondContact OG1-N 2.88Å; T516-T519 PolarHBondContact OG1-OG1 3.46Å; T516-E520 PolarHBondContact O-N 3.03Å
517	P	96.9	Very high	97.5	Very high	66 Å²	66	73.9 Å²	73.9	43%	0.429	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.6	172.9	-26.2	34.9	0	0	0	114.2	F523 Y524	P517-F523 HydrophobicContact CG-CD1 3.76Å; P517-F523 HydrophobicContact CG-CE1 4.13Å; P517-F523 HydrophobicContact CG-CG 4.18Å; P517-Y524 HydrophobicContact CB-CE2 4.14Å; P517-Y524 HydrophobicContact CG-CE2 3.85Å
518	A	96.6	Very high	97.5	Very high	97 Å²	97	73 Å²	73	80%	0.802	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-27.6	176.7	0	0	0	0	0	113.2	T516	T516-A518 PolarHBondContact O-N 2.89Å; T516-A518 PolarHBondContact OG1-N 3.31Å
519	T	96.7	Very high	97.6	Very high	90 Å²	90	74.3 Å²	74.3	55%	0.552	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-17.4	-175.7	53.4	0	0	0	0	113.6	T516	T516-T519 PolarHBondContact N-OG1 3.4Å; T516-T519 PolarHBondContact O-N 2.83Å; T516-T519 PolarHBondContact O-OG1 3.38Å; T516-T519 PolarHBondContact OG1-N 2.88Å; T516-T519 PolarHBondContact OG1-OG1 3.46Å
520	E	97.1	Very high	97.6	Very high	25 Å²	25	72.6 Å²	72.6	12%	0.117	37%	0.37	C	S	.	.			trans	-137	107.2	176.2	178.4	49	-108.2	0	0	109.8	W464 L515 T516 R522 F523 I526	W464-E520 HydrophobicContact CH2-CG 4.35Å; W464-E520 WeakPolarHBondContact CH2-OE2 3.33Å; W464-E520 HydrophobicContact CZ3-CG 4.4Å; L515-E520 HydrophobicContact CB-CB 4.3Å; L515-E520 HydrophobicContact CD1-CB 4.37Å; T516-E520 PolarHBondContact O-N 3.03Å; E520-R522 PolarHBondContact O-N 3.49Å; E520-R522 WeakPolarHBondContact OE1-CB 3.4Å; E520-R522 PolarHBondContact OE1-N 3.38Å; E520-F523 HydrophobicContact CB-CB 4.44Å; E520-F523 WeakPolarHBondContact O-CB 3.2Å; E520-F523 PolarHBondContact O-N 2.95Å; E520-F523 VanDerWaalsContact O-N 3.1Å; E520-I526 HydrophobicContact CG-CD1 3.88Å
521	P	96.9	Very high	97.7	Very high	119 Å²	119	70.4 Å²	70.4	77%	0.773	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.3	-178.1	24.7	-34.8	0	0	0	113.2	F523	P521-F523 VanDerWaalsContact C-N 3.29Å; P521-F523 PolarHBondContact O-N 2.96Å
522	R	97.1	Very high	97.7	Very high	121 Å²	121	74.4 Å²	74.4	46%	0.457	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	12.2	178.8	-59.1	177.3	64.1	-157.5	-3.6	113.2	E520 Y524 E525 I526	E520-R522 PolarHBondContact O-N 3.49Å; E520-R522 WeakPolarHBondContact OE1-CB 3.4Å; E520-R522 PolarHBondContact OE1-N 3.38Å; R522-Y524 PolarHBondContact O-N 2.93Å; R522-E525 IonicContact NE-OE2 3.85Å; R522-E525 PolarHBondContact NE-OE2 2.94Å; R522-E525 WeakPolarHBondContact O-CB 3.43Å; R522-E525 PolarHBondContact O-N 2.92Å; R522-I526 HydrophobicContact CB-CD1 3.92Å; R522-I526 HydrophobicContact CB-CG1 4.19Å; R522-I526 WeakPolarHBondContact O-CG1 3.45Å; R522-I526 PolarHBondContact O-N 2.83Å
523	F	98.5	Very high	97.9	Very high	9 Å²	9	66.9 Å²	66.9	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-48.7	-53	-172.8	-178.5	-91.9	0	0	0	113.1	P499 L502 L515 P517 E520 P521 L527	P499-F523 HydrophobicContact CB-CE1 4.22Å; P499-F523 HydrophobicContact CG-CE1 3.86Å; P499-F523 HydrophobicContact CG-CZ 4.29Å; L502-F523 HydrophobicContact CB-CD2 4.32Å; L502-F523 HydrophobicContact CB-CE2 3.73Å; L502-F523 HydrophobicContact CB-CZ 4.48Å; L502-F523 HydrophobicContact CD2-CD2 3.74Å; L502-F523 HydrophobicContact CD2-CE2 4.01Å; L515-F523 HydrophobicContact CB-CD2 4.44Å; L515-F523 WeakPolarHBondContact O-CE2 3.33Å; P517-F523 HydrophobicContact CG-CD1 3.76Å; P517-F523 HydrophobicContact CG-CE1 4.13Å; P517-F523 HydrophobicContact CG-CG 4.18Å; E520-F523 HydrophobicContact CB-CB 4.44Å; E520-F523 WeakPolarHBondContact O-CB 3.2Å; E520-F523 PolarHBondContact O-N 2.95Å; E520-F523 VanDerWaalsContact O-N 3.1Å; P521-F523 VanDerWaalsContact C-N 3.29Å; P521-F523 PolarHBondContact O-N 2.96Å; F523-L527 HydrophobicContact CD1-CD1 3.85Å; F523-L527 HydrophobicContact CE1-CD1 3.3Å; F523-L527 HydrophobicContact CE1-CG 4.43Å; F523-L527 HydrophobicContact CE2-CD1 4.23Å; F523-L527 HydrophobicContact CZ-CD1 3.51Å; F523-L527 WeakPolarHBondContact O-CG 3.44Å; F523-L527 PolarHBondContact O-N 3.39Å; F523-L527 VanDerWaalsContact O-N 3.1Å
524	Y	98.5	Very high	98	Very high	150 Å²	150	61.9 Å²	61.9	59%	0.588	33%	0.33	S	S	*	.	H	α-helix	trans	-71.7	-30.4	-179.3	-64.9	-63.7	0	0	0	113.4	P499 P517 R522 K528	P499-Y524 HydrophobicContact CG-CE1 4.37Å; P517-Y524 HydrophobicContact CB-CE2 4.14Å; P517-Y524 HydrophobicContact CG-CE2 3.85Å; R522-Y524 PolarHBondContact O-N 2.93Å; Y524-K528 VanDerWaalsContact O-CB 3.28Å; Y524-K528 WeakPolarHBondContact O-CB 3.48Å; Y524-K528 PolarHBondContact O-N 3.15Å
525	E	98	Very high	98	Very high	113 Å²	113	62.5 Å²	62.5	53%	0.528	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-45.9	175.8	-61.2	177.9	174.9	0	0	111	R522 K528 V529	R522-E525 IonicContact NE-OE2 3.85Å; R522-E525 PolarHBondContact NE-OE2 2.94Å; R522-E525 WeakPolarHBondContact O-CB 3.43Å; R522-E525 PolarHBondContact O-N 2.92Å; E525-K528 PolarHBondContact O-N 3.31Å; E525-V529 WeakPolarHBondContact O-CG2 3.31Å; E525-V529 PolarHBondContact O-N 2.99Å; E525-V529 VanDerWaalsContact O-N 3.12Å
526	I	98.3	Very high	98	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-49.4	178.2	-65.9	160.1	0	0	0	109.8	W455 W464 L502 E520 R522 K528 V529 I530	W455-I526 HydrophobicContact CE3-CG2 4.05Å; W455-I526 HydrophobicContact CZ3-CB 4.33Å; W455-I526 HydrophobicContact CZ3-CG1 4.18Å; W455-I526 HydrophobicContact CZ3-CG2 4.06Å; W464-I526 HydrophobicContact CB-CG2 3.89Å; W464-I526 HydrophobicContact CD2-CD1 3.92Å; W464-I526 HydrophobicContact CD2-CG1 4.46Å; W464-I526 HydrophobicContact CD2-CG2 4.04Å; W464-I526 HydrophobicContact CE3-CD1 3.98Å; W464-I526 HydrophobicContact CE3-CG2 4.45Å; W464-I526 HydrophobicContact CG-CG2 3.77Å; W464-I526 HydrophobicContact CH2-CD1 3.81Å; W464-I526 HydrophobicContact CZ2-CD1 3.76Å; W464-I526 HydrophobicContact CZ3-CD1 3.9Å; L502-I526 HydrophobicContact CD1-CG2 4.01Å; L502-I526 HydrophobicContact CD2-CB 4.33Å; L502-I526 HydrophobicContact CD2-CD1 4.41Å; L502-I526 HydrophobicContact CD2-CG2 3.99Å; E520-I526 HydrophobicContact CG-CD1 3.88Å; R522-I526 HydrophobicContact CB-CD1 3.92Å; R522-I526 HydrophobicContact CB-CG1 4.19Å; R522-I526 WeakPolarHBondContact O-CG1 3.45Å; R522-I526 PolarHBondContact O-N 2.83Å; I526-K528 VanDerWaalsContact C-N 3.31Å; I526-K528 PolarHBondContact O-N 3.39Å; I526-V529 PolarHBondContact O-N 3.39Å; I526-I530 HydrophobicContact CG2-CD1 3.81Å; I526-I530 WeakPolarHBondContact O-CG1 3.38Å; I526-I530 PolarHBondContact O-N 2.82Å
527	L	98.6	Very high	98	Very high	13 Å²	13	65.8 Å²	65.8	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-36.7	-179.9	-71.8	-177.6	0	0	0	112.8	A466 P499 P500 L502 F523 I530 Q531	A466-L527 HydrophobicContact CB-CD2 3.76Å; P499-L527 HydrophobicContact CB-CD1 3.83Å; P500-L527 HydrophobicContact CB-CD2 4Å; P500-L527 HydrophobicContact CG-CD2 4.45Å; L502-L527 HydrophobicContact CB-CD2 4.23Å; L502-L527 HydrophobicContact CD1-CD2 4.07Å; L502-L527 HydrophobicContact CD2-CD2 4.41Å; L502-L527 HydrophobicContact CD2-CG 4.42Å; L502-L527 HydrophobicContact CG-CD2 4.47Å; F523-L527 HydrophobicContact CD1-CD1 3.85Å; F523-L527 HydrophobicContact CE1-CD1 3.3Å; F523-L527 HydrophobicContact CE1-CG 4.43Å; F523-L527 HydrophobicContact CE2-CD1 4.23Å; F523-L527 HydrophobicContact CZ-CD1 3.51Å; F523-L527 WeakPolarHBondContact O-CG 3.44Å; F523-L527 PolarHBondContact O-N 3.39Å; F523-L527 VanDerWaalsContact O-N 3.1Å; L527-I530 PolarHBondContact O-N 3.15Å; L527-Q531 VanDerWaalsContact O-CB 3.31Å; L527-Q531 WeakPolarHBondContact O-CB 3.43Å; L527-Q531 PolarHBondContact O-N 3.11Å
528	K	98.6	Very high	98.1	Very high	135 Å²	135	65.5 Å²	65.5	59%	0.587	33%	0.331	S	S	*	.	H	α-helix	trans	-60.6	-48.9	174.8	-178.1	-179.6	174.4	-176.7	0	111.4	Y524 E525 I526 I530 Q531 E532	Y524-K528 VanDerWaalsContact O-CB 3.28Å; Y524-K528 WeakPolarHBondContact O-CB 3.48Å; Y524-K528 PolarHBondContact O-N 3.15Å; E525-K528 PolarHBondContact O-N 3.31Å; I526-K528 VanDerWaalsContact C-N 3.31Å; I526-K528 PolarHBondContact O-N 3.39Å; K528-I530 VanDerWaalsContact C-N 3.34Å; K528-I530 PolarHBondContact O-N 3.33Å; K528-Q531 PolarHBondContact O-N 3.46Å; K528-E532 WeakPolarHBondContact CE-OE1 3.35Å; K528-E532 WeakPolarHBondContact CG-OE1 3.26Å; K528-E532 WeakPolarHBondContact O-CB 3.35Å; K528-E532 VanDerWaalsContact O-CG 3.31Å; K528-E532 WeakPolarHBondContact O-CG 3.3Å; K528-E532 PolarHBondContact O-N 3.37Å
529	V	98.6	Very high	98.1	Very high	47 Å²	47	68.6 Å²	68.6	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-42.2	178.7	171.4	0	0	0	0	111.5	F441 W455 E525 I526 E532 A533	F441-V529 HydrophobicContact CE1-CG1 4.28Å; F441-V529 HydrophobicContact CZ-CG1 3.73Å; W455-V529 HydrophobicContact CD2-CG1 4.26Å; W455-V529 HydrophobicContact CE3-CG1 4.43Å; W455-V529 HydrophobicContact CH2-CB 4.29Å; W455-V529 HydrophobicContact CH2-CG1 3.95Å; W455-V529 HydrophobicContact CH2-CG2 4.46Å; W455-V529 HydrophobicContact CZ2-CG1 3.73Å; W455-V529 HydrophobicContact CZ3-CB 4.41Å; W455-V529 HydrophobicContact CZ3-CG1 4.3Å; E525-V529 WeakPolarHBondContact O-CG2 3.31Å; E525-V529 PolarHBondContact O-N 2.99Å; E525-V529 VanDerWaalsContact O-N 3.12Å; I526-V529 PolarHBondContact O-N 3.39Å; V529-E532 PolarHBondContact O-N 3.23Å; V529-A533 PolarHBondContact O-N 2.83Å
530	I	98.7	Very high	98.2	Very high	1 Å²	1	67 Å²	67	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-43.9	177.3	-71.5	173.6	0	0	0	111.4	V453 W455 W464 A466 L502 I526 L527 K528 A533 A534	V453-I530 HydrophobicContact CB-CG2 3.61Å; V453-I530 HydrophobicContact CG1-CG2 3.78Å; V453-I530 HydrophobicContact CG2-CG2 4.33Å; W455-I530 HydrophobicContact CB-CD1 4.17Å; W455-I530 HydrophobicContact CB-CG1 3.87Å; W455-I530 HydrophobicContact CE3-CG1 4.26Å; W455-I530 HydrophobicContact CG-CG1 4.47Å; W464-I530 HydrophobicContact CB-CD1 4.05Å; A466-I530 HydrophobicContact CB-CD1 3.97Å; A466-I530 HydrophobicContact CB-CG2 3.89Å; L502-I530 HydrophobicContact CD1-CD1 4.27Å; I526-I530 HydrophobicContact CG2-CD1 3.81Å; I526-I530 WeakPolarHBondContact O-CG1 3.38Å; I526-I530 PolarHBondContact O-N 2.82Å; L527-I530 PolarHBondContact O-N 3.15Å; K528-I530 VanDerWaalsContact C-N 3.34Å; K528-I530 PolarHBondContact O-N 3.33Å; I530-A533 WeakPolarHBondContact O-CB 3.29Å; I530-A533 PolarHBondContact O-N 3.19Å; I530-A534 PolarHBondContact O-N 2.91Å
531	Q	98.6	Very high	98.2	Very high	70 Å²	70	68.3 Å²	68.3	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-63	-45.7	177.7	-174.4	61.5	53.3	0	0	111.1	F468 L527 K528 A533 A534 D535	F468-Q531 VanDerWaalsContact CE1-OE1 3.23Å; L527-Q531 VanDerWaalsContact O-CB 3.31Å; L527-Q531 WeakPolarHBondContact O-CB 3.43Å; L527-Q531 PolarHBondContact O-N 3.11Å; K528-Q531 PolarHBondContact O-N 3.46Å; Q531-A533 VanDerWaalsContact C-N 3.26Å; Q531-A533 PolarHBondContact O-N 2.84Å; Q531-A534 WeakPolarHBondContact O-CB 3.15Å; Q531-A534 PolarHBondContact O-N 3.22Å; Q531-A534 VanDerWaalsContact O-N 3.07Å; Q531-D535 PolarHBondContact NE2-OD1 3.24Å; Q531-D535 PolarHBondContact O-N 3.32Å
532	E	98.5	Very high	98	Very high	87 Å²	87	65.8 Å²	65.8	41%	0.407	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-34.6	176	-72.6	172.1	-174.9	0	0	112.3	K528 V529 R536	K528-E532 WeakPolarHBondContact CE-OE1 3.35Å; K528-E532 WeakPolarHBondContact CG-OE1 3.26Å; K528-E532 WeakPolarHBondContact O-CB 3.35Å; K528-E532 VanDerWaalsContact O-CG 3.31Å; K528-E532 WeakPolarHBondContact O-CG 3.3Å; K528-E532 PolarHBondContact O-N 3.37Å; V529-E532 PolarHBondContact O-N 3.23Å; E532-R536 WeakPolarHBondContact O-CB 3.31Å; E532-R536 VanDerWaalsContact O-CG 3.31Å; E532-R536 WeakPolarHBondContact O-CG 3.4Å; E532-R536 PolarHBondContact O-N 3.29Å; E532-R536 PolarHBondContact O-NE 2.98Å
533	A	98.6	Very high	97.9	Very high	4 Å²	4	69.6 Å²	69.6	3%	0.033	33%	0.333	C	S	.	.	H	α-helix	trans	-68.4	-41.3	173.1	0	0	0	0	0	112.2	F441 F443 V529 I530 Q531 H537	F441-A533 HydrophobicContact CD1-CB 3.46Å; F441-A533 VanDerWaalsContact CD1-CB 3.46Å; F441-A533 HydrophobicContact CD2-CB 4.22Å; F441-A533 HydrophobicContact CE1-CB 3.36Å; F441-A533 HydrophobicContact CE2-CB 4.15Å; F441-A533 HydrophobicContact CG-CB 3.89Å; F441-A533 HydrophobicContact CZ-CB 3.73Å; F443-A533 HydrophobicContact CE1-CB 4.49Å; F443-A533 HydrophobicContact CZ-CB 4.47Å; V529-A533 PolarHBondContact O-N 2.83Å; I530-A533 WeakPolarHBondContact O-CB 3.29Å; I530-A533 PolarHBondContact O-N 3.19Å; Q531-A533 VanDerWaalsContact C-N 3.26Å; Q531-A533 PolarHBondContact O-N 2.84Å; A533-H537 VanDerWaalsContact O-CB 3.22Å; A533-H537 WeakPolarHBondContact O-CB 3.33Å; A533-H537 PolarHBondContact O-N 3.35Å
534	A	98.6	Very high	97.8	Very high	2 Å²	2	71.6 Å²	71.6	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-43.8	174.1	0	0	0	0	0	111.8	L450 V453 F468 I530 Q531 H537 T538	L450-A534 HydrophobicContact CD2-CB 3.92Å; V453-A534 HydrophobicContact CG2-CB 4.25Å; F468-A534 HydrophobicContact CE2-CB 4.07Å; F468-A534 HydrophobicContact CZ-CB 3.88Å; I530-A534 PolarHBondContact O-N 2.91Å; Q531-A534 WeakPolarHBondContact O-CB 3.15Å; Q531-A534 PolarHBondContact O-N 3.22Å; Q531-A534 VanDerWaalsContact O-N 3.07Å; A534-H537 PolarHBondContact O-N 3.21Å; A534-T538 VanDerWaalsContact O-CG2 3.32Å; A534-T538 WeakPolarHBondContact O-CG2 3.49Å; A534-T538 PolarHBondContact O-N 2.92Å; A534-T538 PolarHBondContact O-OG1 3.49Å
535	D	98.5	Very high	97.8	Very high	72 Å²	72	69 Å²	69	39%	0.385	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-45.1	179.1	-63.5	-16.5	0	0	0	111	Q531 T538 Q539	Q531-D535 PolarHBondContact NE2-OD1 3.24Å; Q531-D535 PolarHBondContact O-N 3.32Å; D535-T538 PolarHBondContact O-N 2.81Å; D535-T538 PolarHBondContact O-OG1 3.29Å; D535-Q539 VanDerWaalsContact O-CG 3.32Å; D535-Q539 WeakPolarHBondContact O-CG 3.26Å; D535-Q539 PolarHBondContact O-N 2.73Å
536	R	98.4	Very high	97.8	Very high	149 Å²	149	65.9 Å²	65.9	56%	0.562	33%	0.334	S	S	*	.	H	α-helix	trans	-64.6	-39.9	174.5	-73.5	-175.4	-63.3	171.9	2.5	112.4	E532 Q539	E532-R536 WeakPolarHBondContact O-CB 3.31Å; E532-R536 VanDerWaalsContact O-CG 3.31Å; E532-R536 WeakPolarHBondContact O-CG 3.4Å; E532-R536 PolarHBondContact O-N 3.29Å; E532-R536 PolarHBondContact O-NE 2.98Å; R536-Q539 PolarHBondContact O-N 2.95Å
537	H	98.4	Very high	97.8	Very high	12 Å²	12	66.8 Å²	66.8	6%	0.056	34%	0.339	C	S	.	.	H	α-helix	trans	-64.2	-45.8	178	170.6	73.4	0	0	0	111.7	Y87 F443 Y445 A533 A534 Q539 T540	Y87-H537 AromaticContact CD2-CE1 3.66Å; Y87-H537 AromaticContact CE2-CE1 3.88Å; F443-H537 HydrophobicContact CD1-CB 4.06Å; F443-H537 AromaticContact CD1-CD2 3.83Å; F443-H537 AromaticContact CD1-CG 3.87Å; F443-H537 HydrophobicContact CD2-CB 4.33Å; F443-H537 AromaticContact CD2-CE1 3.8Å; F443-H537 AromaticContact CD2-CG 3.72Å; F443-H537 AromaticContact CD2-ND1 3.55Å; F443-H537 HydrophobicContact CE1-CB 3.52Å; F443-H537 AromaticContact CE1-CG 3.83Å; F443-H537 HydrophobicContact CE2-CB 3.83Å; F443-H537 AromaticContact CE2-CG 3.67Å; F443-H537 AromaticContact CE2-ND1 3.59Å; F443-H537 HydrophobicContact CG-CB 4.44Å; F443-H537 AromaticContact CG-CD2 3.76Å; F443-H537 AromaticContact CG-CG 3.83Å; F443-H537 AromaticContact CG-NE2 3.96Å; F443-H537 HydrophobicContact CZ-CB 3.4Å; F443-H537 VanDerWaalsContact CZ-CB 3.4Å; F443-H537 AromaticContact CZ-CG 3.74Å; Y445-H537 AromaticContact CE2-NE2 3.48Å; Y445-H537 WeakPolarHBondContact CE2-NE2 3.4Å; Y445-H537 AromaticContact CZ-NE2 3.55Å; Y445-H537 PolarHBondContact OH-CD2 3.49Å; Y445-H537 PolarHBondContact OH-NE2 3.08Å; A533-H537 VanDerWaalsContact O-CB 3.22Å; A533-H537 WeakPolarHBondContact O-CB 3.33Å; A533-H537 PolarHBondContact O-N 3.35Å; A534-H537 PolarHBondContact O-N 3.21Å; H537-Q539 VanDerWaalsContact C-N 3.26Å; H537-Q539 PolarHBondContact O-N 3.49Å; H537-T540 WeakPolarHBondContact O-CB 3.44Å; H537-T540 PolarHBondContact O-N 3.27Å; H537-T540 PolarHBondContact O-OG1 3.23Å
538	T	97.4	Very high	97.7	Very high	60 Å²	60	66.5 Å²	66.5	37%	0.368	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-29.9	-179.3	52	0	0	0	0	112.6	L450 A534 D535 T540 L541	L450-T538 HydrophobicContact CD2-CG2 4.25Å; A534-T538 VanDerWaalsContact O-CG2 3.32Å; A534-T538 WeakPolarHBondContact O-CG2 3.49Å; A534-T538 PolarHBondContact O-N 2.92Å; A534-T538 PolarHBondContact O-OG1 3.49Å; D535-T538 PolarHBondContact O-N 2.81Å; D535-T538 PolarHBondContact O-OG1 3.29Å; T538-T540 PolarHBondContact O-N 2.94Å; T538-L541 HydrophobicContact CG2-CD1 4.28Å; T538-L541 WeakPolarHBondContact O-CB 3.48Å; T538-L541 PolarHBondContact O-N 3.45Å; T538-L541 VanDerWaalsContact O-N 3.12Å
539	Q	97.9	Very high	97.7	Very high	162 Å²	162	61.8 Å²	61.8	76%	0.757	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.2	170.8	-70	169.7	18.3	0	0	113.7	D535 R536 H537	D535-Q539 VanDerWaalsContact O-CG 3.32Å; D535-Q539 WeakPolarHBondContact O-CG 3.26Å; D535-Q539 PolarHBondContact O-N 2.73Å; R536-Q539 PolarHBondContact O-N 2.95Å; H537-Q539 VanDerWaalsContact C-N 3.26Å; H537-Q539 PolarHBondContact O-N 3.49Å
540	T	97.8	Very high	97.6	Very high	56 Å²	56	67.1 Å²	67.1	34%	0.344	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.7	177.5	75.5	0	0	0	0	113.1	R90 I420 H537 T538 P542	R90-T540 PolarHBondContact NH1-O 3.46Å; R90-T540 VanDerWaalsContact NH1-O 3.09Å; R90-T540 PolarHBondContact NH1-OG1 2.98Å; R90-T540 PolarHBondContact NH2-OG1 3.42Å; I420-T540 HydrophobicContact CD1-CG2 4.06Å; H537-T540 WeakPolarHBondContact O-CB 3.44Å; H537-T540 PolarHBondContact O-N 3.27Å; H537-T540 PolarHBondContact O-OG1 3.23Å; T538-T540 PolarHBondContact O-N 2.94Å; T540-P542 WeakPolarHBondContact O-CD 3.42Å
541	L	97.2	Very high	97.6	Very high	52 Å²	52	72 Å²	72	27%	0.272	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-82.8	116.4	-177.1	-61.9	178.7	0	0	0	109.8	V89 R90 Y445 T538	V89-L541 HydrophobicContact CG2-CD1 4.28Å; V89-L541 HydrophobicContact CG2-CD2 3.63Å; R90-L541 HydrophobicContact CG-CD2 4.12Å; Y445-L541 WeakPolarHBondContact OH-CD1 3.35Å; T538-L541 HydrophobicContact CG2-CD1 4.28Å; T538-L541 WeakPolarHBondContact O-CB 3.48Å; T538-L541 PolarHBondContact O-N 3.45Å; T538-L541 VanDerWaalsContact O-N 3.12Å
542	P	92.8	Very high	97.6	Very high	67 Å²	67	70.1 Å²	70.1	44%	0.435	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-72.1	156.2	175.3	29.7	-32.5	0	0	0	110.9	T540 V544	T540-P542 WeakPolarHBondContact O-CD 3.42Å; P542-V544 HydrophobicContact CB-CG1 4.19Å; P542-V544 HydrophobicContact CG-CG1 3.84Å; P542-V544 PolarHBondContact O-N 3Å
543	E	95.2	Very high	97.5	Very high	200 Å²	200	66.4 Å²	66.4	94%	0.935	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-69.7	122.6	163.3	-171.7	175	-176.5	0	0	108.9
544	V	97.2	Very high	97.5	Very high	51 Å²	51	70.4 Å²	70.4	31%	0.309	36%	0.358	S	S	.	.			trans	-136.1	149.7	-176.2	-67.9	0	0	0	0	111.6	V89 P542 N546	V89-V544 WeakPolarHBondContact O-CG2 3.4Å; P542-V544 HydrophobicContact CB-CG1 4.19Å; P542-V544 HydrophobicContact CG-CG1 3.84Å; P542-V544 PolarHBondContact O-N 3Å; V544-N546 PolarHBondContact O-N 3.36Å
545	P	97.6	Very high	97.4	Very high	95 Å²	95	74.9 Å²	74.9	62%	0.617	37%	0.374	S	S	*	.			trans	-60.6	129.3	175.7	-22.5	33.4	0	0	0	111.5	Q547	P545-Q547 PolarHBondContact O-N 2.95Å; P545-Q547 VanDerWaalsContact O-N 3.11Å; P545-Q547 PolarHBondContact O-NE2 3.25Å
546	N	97.6	Very high	97.4	Very high	48 Å²	48	72.4 Å²	72.4	26%	0.257	36%	0.36	S	S	.	.			trans	-69.1	106.7	174.7	179.6	7.1	0	0	0	110.4	V544 F548 S549 N552	V544-N546 PolarHBondContact O-N 3.36Å; N546-F548 PolarHBondContact O-N 2.87Å; N546-F548 VanDerWaalsContact O-N 3.16Å; N546-F548 VanDerWaalsContact OD1-CA 3.32Å; N546-F548 WeakPolarHBondContact OD1-CA 3.45Å; N546-F548 WeakPolarHBondContact OD1-CB 3.38Å; N546-F548 PolarHBondContact OD1-N 3.4Å; N546-S549 WeakPolarHBondContact O-CB 3.32Å; N546-S549 PolarHBondContact O-N 3.45Å; N546-S549 VanDerWaalsContact O-N 3.14Å; N546-S549 PolarHBondContact OD1-N 3.25Å; N546-N552 PolarHBondContact O-ND2 2.7Å; N546-N552 VanDerWaalsContact O-ND2 3.09Å
547	Q	98.5	Very high	97.3	Very high	20 Å²	20	68.7 Å²	68.7	9%	0.093	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.2	177.5	-59.9	-56.2	-46.1	0	0	112.7	G92 M93 F102 G109 G110 P112 P545 N552	G92-Q547 WeakPolarHBondContact O-CB 3.39Å; G92-Q547 PolarHBondContact O-N 3.44Å; M93-Q547 HydrophobicContact CG-CB 4.48Å; M93-Q547 HydrophobicContact CG-CG 4.32Å; M93-Q547 HydrophobicContact SD-CB 3.78Å; M93-Q547 HydrophobicContact SD-CG 4.07Å; F102-Q547 WeakPolarHBondContact CE1-O 3.27Å; G109-Q547 WeakPolarHBondContact CA-O 3.21Å; G110-Q547 WeakPolarHBondContact O-CG 3.44Å; G110-Q547 PolarHBondContact O-OE1 2.87Å; P112-Q547 HydrophobicContact CG-CG 3.98Å; P545-Q547 PolarHBondContact O-N 2.95Å; P545-Q547 VanDerWaalsContact O-N 3.11Å; P545-Q547 PolarHBondContact O-NE2 3.25Å; Q547-N552 VanDerWaalsContact O-CB 3.25Å; Q547-N552 WeakPolarHBondContact O-CB 3.25Å
548	F	97.9	Very high	97.2	Very high	6 Å²	6	75.6 Å²	75.6	3%	0.026	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	19.6	175.7	-74.5	-91.7	0	0	0	113.1	T76 M93 F102 N546	T76-F548 HydrophobicContact CG2-CE2 4.07Å; T76-F548 HydrophobicContact CG2-CZ 3.53Å; M93-F548 HydrophobicContact SD-CE2 4.24Å; F102-F548 HydrophobicContact CD1-CE1 4.1Å; F102-F548 HydrophobicContact CD2-CZ 4.43Å; F102-F548 HydrophobicContact CE1-CD1 4.2Å; F102-F548 HydrophobicContact CE1-CE1 4.02Å; F102-F548 HydrophobicContact CE1-CZ 4.22Å; F102-F548 HydrophobicContact CE2-CE2 4.45Å; F102-F548 HydrophobicContact CE2-CZ 4.14Å; F102-F548 HydrophobicContact CG-CE1 4.43Å; F102-F548 HydrophobicContact CZ-CD2 4.5Å; F102-F548 HydrophobicContact CZ-CE1 4.28Å; F102-F548 HydrophobicContact CZ-CE2 4.1Å; F102-F548 HydrophobicContact CZ-CZ 4.01Å; N546-F548 PolarHBondContact O-N 2.87Å; N546-F548 VanDerWaalsContact O-N 3.16Å; N546-F548 VanDerWaalsContact OD1-CA 3.32Å; N546-F548 WeakPolarHBondContact OD1-CA 3.45Å; N546-F548 WeakPolarHBondContact OD1-CB 3.38Å; N546-F548 PolarHBondContact OD1-N 3.4Å
549	S	97.8	Very high	97.2	Very high	36 Å²	36	72.9 Å²	72.9	25%	0.252	36%	0.364	S	S	.	.	S	Bend	trans	-58.2	156.8	168.8	76.6	0	0	0	0	110.4	N546 D551 N552 F553	N546-S549 WeakPolarHBondContact O-CB 3.32Å; N546-S549 PolarHBondContact O-N 3.45Å; N546-S549 VanDerWaalsContact O-N 3.14Å; N546-S549 PolarHBondContact OD1-N 3.25Å; S549-D551 PolarHBondContact O-N 3.1Å; S549-N552 CarbonylContact O-C 3.58Å; S549-N552 PolarHBondContact O-N 3.11Å; S549-N552 WeakPolarHBondContact OG-CB 3.22Å; S549-N552 PolarHBondContact OG-N 3.17Å; S549-N552 VanDerWaalsContact OG-N 3.15Å; S549-N552 PolarHBondContact OG-ND2 3.35Å; S549-F553 WeakPolarHBondContact O-CB 3.41Å; S549-F553 PolarHBondContact O-N 2.93Å
550	W	97.5	Very high	97.1	Very high	159 Å²	159	65.8 Å²	65.8	60%	0.602	33%	0.331	S	S	*	.	H	α-helix	trans	-58.5	-36.6	177.6	-72.4	116.3	0	0	0	112.4	N552 F553 L554	W550-N552 VanDerWaalsContact C-N 3.32Å; W550-N552 PolarHBondContact O-N 3.28Å; W550-F553 HydrophobicContact CE3-CD1 4.23Å; W550-F553 HydrophobicContact CZ3-CD1 4.1Å; W550-F553 HydrophobicContact CZ3-CE1 4.41Å; W550-F553 PolarHBondContact O-N 2.94Å; W550-L554 HydrophobicContact CB-CD1 4.37Å; W550-L554 HydrophobicContact CE3-CD2 4.16Å; W550-L554 HydrophobicContact CE3-CG 4.24Å; W550-L554 HydrophobicContact CZ3-CD2 4.48Å; W550-L554 WeakPolarHBondContact O-CB 3.45Å; W550-L554 WeakPolarHBondContact O-CD1 3.34Å; W550-L554 WeakPolarHBondContact O-CG 3.44Å; W550-L554 PolarHBondContact O-N 2.83Å; W550-L554 VanDerWaalsContact O-N 3.09Å
551	D	97.3	Very high	97	Very high	105 Å²	105	64 Å²	64	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-39.9	174.3	-176.3	68	0	0	0	111.9	S549 K556	S549-D551 PolarHBondContact O-N 3.1Å; D551-K556 VanDerWaalsContact CG-NZ 3.3Å; D551-K556 WeakPolarHBondContact O-CE 3.48Å; D551-K556 PolarHBondContact O-NZ 3.48Å; D551-K556 IonicContact OD1-NZ 2.75Å; D551-K556 PolarHBondContact OD1-NZ 3.48Å; D551-K556 IonicContact OD2-NZ 3.71Å; D551-K556 PolarHBondContact OD2-NZ 3.34Å
552	N	98.1	Very high	96.9	Very high	29 Å²	29	62.9 Å²	62.9	16%	0.155	32%	0.315	C	S	.	.	H	α-helix	trans	-77.4	-26.5	179.5	-77.1	-30.9	0	0	0	114.3	S107 S108 G109 N546 Q547 S549 W550	S107-N552 VanDerWaalsContact CB-O 3.3Å; S107-N552 WeakPolarHBondContact CB-O 3.38Å; S108-N552 PolarHBondContact N-O 2.98Å; S108-N552 VanDerWaalsContact N-O 3.08Å; S108-N552 WeakPolarHBondContact OG-CA 3.45Å; S108-N552 PolarHBondContact OG-OD1 2.9Å; G109-N552 PolarHBondContact N-O 3.29Å; N546-N552 PolarHBondContact O-ND2 2.7Å; N546-N552 VanDerWaalsContact O-ND2 3.09Å; Q547-N552 VanDerWaalsContact O-CB 3.25Å; Q547-N552 WeakPolarHBondContact O-CB 3.25Å; S549-N552 CarbonylContact O-C 3.58Å; S549-N552 PolarHBondContact O-N 3.11Å; S549-N552 WeakPolarHBondContact OG-CB 3.22Å; S549-N552 PolarHBondContact OG-N 3.17Å; S549-N552 VanDerWaalsContact OG-N 3.15Å; S549-N552 PolarHBondContact OG-ND2 3.35Å; W550-N552 VanDerWaalsContact C-N 3.32Å; W550-N552 PolarHBondContact O-N 3.28Å
553	F	97.8	Very high	96.5	Very high	10 Å²	10	61.7 Å²	61.7	4%	0.044	31%	0.308	C	S	.	.	H	α-helix	trans	-92.6	-35.9	-173.5	175.1	-97.2	0	0	0	114.3	T99 V101 F102 L103 F104 S107 S549 W550	T99-F553 HydrophobicContact CG2-CE1 3.89Å; T99-F553 HydrophobicContact CG2-CE2 4.08Å; T99-F553 HydrophobicContact CG2-CZ 3.53Å; V101-F553 WeakPolarHBondContact O-CE2 3.42Å; F102-F553 HydrophobicContact CD1-CD2 4.46Å; L103-F553 HydrophobicContact CB-CE2 4.27Å; L103-F553 HydrophobicContact CB-CZ 4.12Å; L103-F553 HydrophobicContact CD1-CZ 4.08Å; L103-F553 HydrophobicContact CG-CE2 4.28Å; L103-F553 HydrophobicContact CG-CZ 4.19Å; F104-F553 HydrophobicContact CD2-CZ 4.44Å; F104-F553 HydrophobicContact CE2-CE1 4.19Å; F104-F553 HydrophobicContact CE2-CZ 4.29Å; S107-F553 WeakPolarHBondContact CB-O 3.21Å; S549-F553 WeakPolarHBondContact O-CB 3.41Å; S549-F553 PolarHBondContact O-N 2.93Å; W550-F553 HydrophobicContact CE3-CD1 4.23Å; W550-F553 HydrophobicContact CZ3-CD1 4.1Å; W550-F553 HydrophobicContact CZ3-CE1 4.41Å; W550-F553 PolarHBondContact O-N 2.94Å
554	L	97.6	Very high	95.5	Very high	88 Å²	88	54.4 Å²	54.4	46%	0.461	28%	0.278	S	S	.	.	S	Bend	trans	-67.8	153.5	-173.3	-70.1	172.5	0	0	0	112.2	W550 K556	W550-L554 HydrophobicContact CB-CD1 4.37Å; W550-L554 HydrophobicContact CE3-CD2 4.16Å; W550-L554 HydrophobicContact CE3-CG 4.24Å; W550-L554 HydrophobicContact CZ3-CD2 4.48Å; W550-L554 WeakPolarHBondContact O-CB 3.45Å; W550-L554 WeakPolarHBondContact O-CD1 3.34Å; W550-L554 WeakPolarHBondContact O-CG 3.44Å; W550-L554 PolarHBondContact O-N 2.83Å; W550-L554 VanDerWaalsContact O-N 3.09Å; L554-K556 PolarHBondContact O-N 3.48Å
555	W	97.8	Very high	93.9	Very high	96 Å²	96	57.8 Å²	57.8	36%	0.364	30%	0.304	S	S	.	.			trans	-62.9	121.1	175.6	179.4	70.5	0	0	0	111	F104 L240 P557 L568	F104-W555 HydrophobicContact CD1-CB 4.03Å; F104-W555 HydrophobicContact CD1-CG 4.48Å; F104-W555 HydrophobicContact CE1-CB 4.34Å; F104-W555 HydrophobicContact CG-CB 4.19Å; L240-W555 HydrophobicContact CD1-CZ2 4.23Å; W555-P557 HydrophobicContact CE3-CG 4.05Å; W555-P557 HydrophobicContact CH2-CB 3.95Å; W555-P557 HydrophobicContact CH2-CG 3.8Å; W555-P557 HydrophobicContact CZ2-CB 4.22Å; W555-P557 HydrophobicContact CZ2-CG 4.36Å; W555-P557 HydrophobicContact CZ3-CB 4.31Å; W555-P557 HydrophobicContact CZ3-CG 3.63Å; W555-L568 HydrophobicContact CH2-CD2 4.11Å; W555-L568 HydrophobicContact CZ2-CD2 3.75Å
556	K	98.1	Very high	92.4	Very high	19 Å²	19	58 Å²	58	8%	0.083	31%	0.307	C	S	.	.			trans	-107.5	108.3	177.8	-74.6	178.6	167.9	175	0	109.2	A106 S108 D551 L554 W558 L559	A106-K556 PolarHBondContact O-N 2.92Å; S108-K556 PolarHBondContact OG-NZ 3.08Å; D551-K556 VanDerWaalsContact CG-NZ 3.3Å; D551-K556 WeakPolarHBondContact O-CE 3.48Å; D551-K556 PolarHBondContact O-NZ 3.48Å; D551-K556 IonicContact OD1-NZ 2.75Å; D551-K556 PolarHBondContact OD1-NZ 3.48Å; D551-K556 IonicContact OD2-NZ 3.71Å; D551-K556 PolarHBondContact OD2-NZ 3.34Å; L554-K556 PolarHBondContact O-N 3.48Å; K556-W558 HydrophobicContact CB-CD2 4.18Å; K556-W558 HydrophobicContact CB-CH2 4.23Å; K556-W558 HydrophobicContact CB-CZ2 3.86Å; K556-W558 HydrophobicContact CD-CH2 4.31Å; K556-W558 HydrophobicContact CD-CZ2 3.54Å; K556-W558 HydrophobicContact CG-CH2 3.9Å; K556-W558 HydrophobicContact CG-CZ2 3.57Å; K556-W558 PolarHBondContact O-N 3.35Å; K556-W558 VanDerWaalsContact O-N 3.11Å; K556-L559 HydrophobicContact CB-CB 4.22Å; K556-L559 HydrophobicContact CB-CD1 3.88Å; K556-L559 HydrophobicContact CB-CG 3.89Å; K556-L559 HydrophobicContact CD-CD1 3.81Å; K556-L559 HydrophobicContact CD-CG 4.49Å; K556-L559 HydrophobicContact CG-CD1 4.41Å; K556-L559 PolarHBondContact O-N 2.88Å
557	P	96.3	Very high	91.1	Very high	72 Å²	72	58.3 Å²	58.3	47%	0.468	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-55.2	-34.8	-175.7	-24.2	29	0	0	0	114.2	W555 L559 Q560	W555-P557 HydrophobicContact CE3-CG 4.05Å; W555-P557 HydrophobicContact CH2-CB 3.95Å; W555-P557 HydrophobicContact CH2-CG 3.8Å; W555-P557 HydrophobicContact CZ2-CB 4.22Å; W555-P557 HydrophobicContact CZ2-CG 4.36Å; W555-P557 HydrophobicContact CZ3-CB 4.31Å; W555-P557 HydrophobicContact CZ3-CG 3.63Å; P557-L559 VanDerWaalsContact C-N 3.27Å; P557-L559 PolarHBondContact O-N 3.4Å; P557-Q560 WeakPolarHBondContact O-CB 3.13Å; P557-Q560 PolarHBondContact O-N 3.49Å
558	W	95.6	Very high	90.1	Very high	156 Å²	156	60.2 Å²	60.2	59%	0.591	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-75.1	-12.9	-179.2	60	89.1	0	0	0	114.1	K556	K556-W558 HydrophobicContact CB-CD2 4.18Å; K556-W558 HydrophobicContact CB-CH2 4.23Å; K556-W558 HydrophobicContact CB-CZ2 3.86Å; K556-W558 HydrophobicContact CD-CH2 4.31Å; K556-W558 HydrophobicContact CD-CZ2 3.54Å; K556-W558 HydrophobicContact CG-CH2 3.9Å; K556-W558 HydrophobicContact CG-CZ2 3.57Å; K556-W558 PolarHBondContact O-N 3.35Å; K556-W558 VanDerWaalsContact O-N 3.11Å
559	L	97.2	Very high	89.5	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-92.3	-5.4	172.9	-61.5	-175	0	0	0	112.5	A106 K556 P557 L561	A106-L559 HydrophobicContact CB-CB 4.06Å; K556-L559 HydrophobicContact CB-CB 4.22Å; K556-L559 HydrophobicContact CB-CD1 3.88Å; K556-L559 HydrophobicContact CB-CG 3.89Å; K556-L559 HydrophobicContact CD-CD1 3.81Å; K556-L559 HydrophobicContact CD-CG 4.49Å; K556-L559 HydrophobicContact CG-CD1 4.41Å; K556-L559 PolarHBondContact O-N 2.88Å; P557-L559 VanDerWaalsContact C-N 3.27Å; P557-L559 PolarHBondContact O-N 3.4Å; L559-L561 PolarHBondContact O-N 3.31Å
560	Q	97.1	Very high	88.9	Confident	13 Å²	13	62.8 Å²	62.8	6%	0.061	35%	0.352	C	S	.	.			trans	-66.9	119.2	-174	-172	60.2	61.3	0	0	111.9	A106 L240 P557	A106-Q560 HydrophobicContact CB-CB 4.14Å; L240-Q560 HydrophobicContact CD1-CG 4.37Å; L240-Q560 HydrophobicContact CD2-CG 3.83Å; L240-Q560 PolarHBondContact O-NE2 2.99Å; P557-Q560 WeakPolarHBondContact O-CB 3.13Å; P557-Q560 PolarHBondContact O-N 3.49Å
561	L	95.3	Very high	88.5	Confident	18 Å²	18	62.4 Å²	62.4	9%	0.094	36%	0.357	C	S	.	.			trans	-78.5	134.2	168	-62.1	175.4	0	0	0	109.8	M139 K144 F147 F243 M245 I250 Q253 L559	M139-L561 HydrophobicContact CE-CD1 3.68Å; M139-L561 HydrophobicContact CG-CD1 4.16Å; K144-L561 HydrophobicContact CB-CD2 4.22Å; K144-L561 VanDerWaalsContact O-CD2 3.24Å; K144-L561 WeakPolarHBondContact O-CD2 3.29Å; F147-L561 HydrophobicContact CE1-CD1 4.19Å; F147-L561 HydrophobicContact CE1-CD2 4.09Å; F147-L561 HydrophobicContact CZ-CD2 4.21Å; F243-L561 HydrophobicContact CE2-CD1 4.26Å; F243-L561 HydrophobicContact CZ-CB 4.26Å; F243-L561 HydrophobicContact CZ-CD1 4.07Å; M245-L561 HydrophobicContact CE-CD1 4.14Å; M245-L561 HydrophobicContact SD-CD1 4.45Å; I250-L561 HydrophobicContact CD1-CB 3.63Å; I250-L561 HydrophobicContact CG1-CB 4.46Å; Q253-L561 PolarHBondContact NE2-O 2.87Å; L559-L561 PolarHBondContact O-N 3.31Å
562	C	93.9	Very high	88.2	Confident	28 Å²	28	58.8 Å²	58.8	19%	0.189	34%	0.339	C	S	.	.			trans	-143	123.1	-179	-161.6	0	0	0	0	107.5	P564 G567 C570	C562-P564 CarbonylContact C-O 3.55Å; C562-P564 WeakPolarHBondContact CB-O 3.48Å; C562-P564 PolarHBondContact SG-O 2.98Å; C562-G567 PolarHBondContact SG-O 3.24Å; C562-G567 VanDerWaalsContact SG-O 3.37Å; C562-C570 VanDerWaalsContact CA-SG 3.57Å; C562-C570 HydrophobicContact CB-CB 4.02Å; C562-C570 WeakPolarHBondContact CB-SG 3.36Å; C562-C570 WeakPolarHBondContact SG-CA 3.32Å; C562-C570 WeakPolarHBondContact SG-CB 3.32Å; C562-C570 CovalentContact SG-SG 2.03Å; C562-C570 PolarHBondContact SG-SG 3.07Å
563	C	84.5	Confident	87.8	Confident	42 Å²	42	59.6 Å²	59.6	28%	0.284	34%	0.343	S	S	.	.	S	Bend	trans	-64.3	-35.4	-177.1	-162.7	0	0	0	0	112.9	I250 C572	I250-C563 HydrophobicContact CB-CB 4.16Å; I250-C563 HydrophobicContact CG2-CB 3.9Å; C563-C572 HydrophobicContact CB-CB 3.62Å; C563-C572 WeakPolarHBondContact CB-SG 3.32Å; C563-C572 WeakPolarHBondContact SG-CB 3.32Å; C563-C572 CovalentContact SG-SG 2.02Å; C563-C572 PolarHBondContact SG-SG 3.44Å
564	P	76.1	Confident	87.5	Confident	48 Å²	48	64.3 Å²	64.3	31%	0.312	36%	0.361	S	S	.	.	S	Bend	trans	-76.2	143.1	156.7	-14.3	31.7	0	0	0	111.2	C562 S566	C562-P564 CarbonylContact C-O 3.55Å; C562-P564 WeakPolarHBondContact CB-O 3.48Å; C562-P564 PolarHBondContact SG-O 2.98Å; P564-S566 VanDerWaalsContact C-N 3.25Å; P564-S566 PolarHBondContact O-N 3.45Å
565	S	63.6	Low	86.8	Confident	121 Å²	121	61 Å²	61	85%	0.846	34%	0.343	S	S	*	.	S	Bend	trans	-66.8	-10	-166.5	48.1	0	0	0	0	116.6
566	S	65	Low	85.4	Confident	99 Å²	99	62.2 Å²	62.2	69%	0.692	35%	0.351	S	S	*	.	S	Bend	trans	-147.5	133	-178.1	65.7	0	0	0	0	115.1	P564	P564-S566 VanDerWaalsContact C-N 3.25Å; P564-S566 PolarHBondContact O-N 3.45Å
567	G	69.9	Low	83.5	Confident	55 Å²	55	67.2 Å²	67.2	57%	0.567	37%	0.374	S	S	*	.	S	Bend	trans	94.9	-155.6	167.4	0	0	0	0	0	114.8	C562	C562-G567 PolarHBondContact SG-O 3.24Å; C562-G567 VanDerWaalsContact SG-O 3.37Å
568	L	78.9	Confident	81.5	Confident	61 Å²	61	67.5 Å²	67.5	32%	0.319	37%	0.372	S	S	.	.	S	Bend	trans	-108.6	0.8	-176.7	-61.8	165.7	0	0	0	112.9	Y236 L240 W555 C570	Y236-L568 HydrophobicContact CD1-CB 3.92Å; Y236-L568 WeakPolarHBondContact CD1-O 3.33Å; Y236-L568 HydrophobicContact CE1-CB 3.67Å; Y236-L568 WeakPolarHBondContact CE1-O 3.25Å; L240-L568 HydrophobicContact CD1-CD2 3.67Å; L240-L568 HydrophobicContact CD2-CD2 4.31Å; W555-L568 HydrophobicContact CH2-CD2 4.11Å; W555-L568 HydrophobicContact CZ2-CD2 3.75Å; L568-C570 VanDerWaalsContact C-N 3.26Å; L568-C570 PolarHBondContact O-N 2.88Å
569	S	83.5	Confident	79.2	Confident	94 Å²	94	65.6 Å²	65.6	66%	0.657	37%	0.368	S	S	*	.			trans	-86.4	62	179.4	-62.9	0	0	0	0	111.2	Q571	S569-Q571 PolarHBondContact O-N 3.04Å
570	C	86.6	Confident	76.4	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.014	41%	0.406	C	S	.	.			trans	-91.4	107.1	-168.1	-47.8	0	0	0	0	112.3	L240 Q253 C562 L568	L240-C570 HydrophobicContact CD2-CB 4.3Å; L240-C570 VanDerWaalsContact CD2-SG 3.54Å; Q253-C570 HydrophobicContact CG-CB 4.17Å; C562-C570 VanDerWaalsContact CA-SG 3.57Å; C562-C570 HydrophobicContact CB-CB 4.02Å; C562-C570 WeakPolarHBondContact CB-SG 3.36Å; C562-C570 WeakPolarHBondContact SG-CA 3.32Å; C562-C570 WeakPolarHBondContact SG-CB 3.32Å; C562-C570 CovalentContact SG-SG 2.03Å; C562-C570 PolarHBondContact SG-SG 3.07Å; L568-C570 VanDerWaalsContact C-N 3.26Å; L568-C570 PolarHBondContact O-N 2.88Å
571	Q	89.4	Confident	73.5	Confident	151 Å²	151	82.5 Å²	82.5	71%	0.706	44%	0.442	S	S	*	.			trans	-142	131	175.3	-65.1	-176.8	9.2	0	0	111.8	Q253 S569	Q253-Q571 CarbonylContact O-C 3.36Å; Q253-Q571 VanDerWaalsContact O-CA 3.26Å; Q253-Q571 WeakPolarHBondContact O-CA 3.33Å; S569-Q571 PolarHBondContact O-N 3.04Å
572	C	90	Very high	70.6	Confident	29 Å²	29	85.8 Å²	85.8	20%	0.196	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	157.1	165.8	72.9	0	0	0	0	112	Q252 Q253 C563	Q252-C572 CarbonylContact C-O 3.6Å; Q252-C572 WeakPolarHBondContact CA-O 3.42Å; Q253-C572 PolarHBondContact N-O 3.4Å; Q253-C572 PolarHBondContact O-N 3.36Å; C563-C572 HydrophobicContact CB-CB 3.62Å; C563-C572 WeakPolarHBondContact CB-SG 3.32Å; C563-C572 WeakPolarHBondContact SG-CB 3.32Å; C563-C572 CovalentContact SG-SG 2.02Å; C563-C572 PolarHBondContact SG-SG 3.44Å
573	D	90.7	Very high	67.7	Low	45 Å²	45	95.4 Å²	95.4	24%	0.241	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	76.8	176.1	-166.5	-3.8	0	0	0	109.4	Q252 E575 K576	Q252-D573 PolarHBondContact NE2-OD1 3.41Å; D573-E575 VanDerWaalsContact C-N 3.29Å; D573-K576 PolarHBondContact OD1-N 2.89Å; D573-K576 WeakPolarHBondContact OD2-CD 3.24Å; D573-K576 WeakPolarHBondContact OD2-CE 3.22Å; D573-K576 WeakPolarHBondContact OD2-CG 3.33Å; D573-K576 IonicContact OD2-NZ 3.88Å; D573-K576 PolarHBondContact OD2-NZ 3.4Å
574	R	90.2	Very high	66.9	Low	110 Å²	110	98.1 Å²	98.1	42%	0.415	52%	0.519	S	S	.	.			trans	-75.3	-22.2	177.4	-62.2	175.7	73.7	-173.1	0.2	111.6	E249 I251 K576 Q577 D578	E249-R574 IonicContact OE2-CZ 3.68Å; E249-R574 IonicContact OE2-NH1 2.74Å; E249-R574 PolarHBondContact OE2-NH1 3.31Å; E249-R574 IonicContact OE2-NH2 3.67Å; I251-R574 WeakPolarHBondContact O-CB 3.45Å; I251-R574 PolarHBondContact O-N 2.96Å; R574-K576 VanDerWaalsContact C-N 3.28Å; R574-K576 PolarHBondContact O-N 2.87Å; R574-Q577 WeakPolarHBondContact O-CB 3.33Å; R574-Q577 PolarHBondContact O-N 3.48Å; R574-D578 PolarHBondContact O-N 2.9Å
575	E	83.6	Confident	66.4	Low	19 Å²	19	100.7 Å²	100.7	9%	0.089	53%	0.53	C	S	.	.	H	α-helix	trans	-61	-31	174.4	-81.1	-76.5	118.9	0	0	113.8	Y160 R246 I251 Q252 R263 D573	Y160-E575 PolarHBondContact OH-OE2 3.11Å; R246-E575 IonicContact CZ-OE1 3.36Å; R246-E575 IonicContact NH1-OE1 2.88Å; R246-E575 IonicContact NH2-OE1 2.83Å; R246-E575 PolarHBondContact NH2-OE1 3.19Å; I251-E575 HydrophobicContact CB-CG 4.32Å; I251-E575 HydrophobicContact CD1-CG 3.82Å; I251-E575 WeakPolarHBondContact CD1-OE1 3.47Å; I251-E575 HydrophobicContact CG1-CG 4.25Å; Q252-E575 HydrophobicContact CB-CG 4.26Å; R263-E575 WeakPolarHBondContact CD-OE2 3.16Å; R263-E575 IonicContact CZ-OE2 3.86Å; R263-E575 IonicContact NE-OE2 3.33Å; R263-E575 IonicContact NH1-OE2 3.71Å; R263-E575 PolarHBondContact NH1-OE2 3.44Å; D573-E575 VanDerWaalsContact C-N 3.29Å
576	K	68.2	Low	66.6	Low	120 Å²	120	99.6 Å²	99.6	52%	0.522	51%	0.513	S	S	.	.	H	α-helix	trans	-79	-23.9	171.8	-76.3	-176.6	-173	156.1	0	113.8	D573 R574	D573-K576 PolarHBondContact OD1-N 2.89Å; D573-K576 WeakPolarHBondContact OD2-CD 3.24Å; D573-K576 WeakPolarHBondContact OD2-CE 3.22Å; D573-K576 WeakPolarHBondContact OD2-CG 3.33Å; D573-K576 IonicContact OD2-NZ 3.88Å; D573-K576 PolarHBondContact OD2-NZ 3.4Å; R574-K576 VanDerWaalsContact C-N 3.28Å; R574-K576 PolarHBondContact O-N 2.87Å
577	Q	57.2	Low	66.6	Low	124 Å²	124	99.6 Å²	99.6	58%	0.579	50%	0.502	S	S	*	.	H	α-helix	trans	-78.1	-39.1	-177.8	-68.2	178.3	-14.9	0	0	111.3	R574 K579 R580	R574-Q577 WeakPolarHBondContact O-CB 3.33Å; R574-Q577 PolarHBondContact O-N 3.48Å; Q577-K579 VanDerWaalsContact C-N 3.26Å; Q577-K579 PolarHBondContact O-N 3.3Å; Q577-R580 PolarHBondContact O-N 2.88Å
578	D	54.1	Low	66.4	Low	79 Å²	79	102.4 Å²	102.4	42%	0.422	50%	0.498	S	S	.	.	H	α-helix	trans	-60.4	-34.9	176	-77.4	-14.4	0	0	0	112.1	R246 R574 R580 L581 S582	R246-D578 IonicContact NH1-OD2 3.66Å; R246-D578 PolarHBondContact NH1-OD2 3.5Å; R574-D578 PolarHBondContact O-N 2.9Å; D578-R580 VanDerWaalsContact C-N 3.26Å; D578-R580 PolarHBondContact O-N 3.27Å; D578-L581 PolarHBondContact O-N 3.25Å; D578-S582 PolarHBondContact O-N 2.91Å; D578-S582 PolarHBondContact O-OG 3.29Å
579	K	48.5	Very low	65.6	Low	115 Å²	115	105.2 Å²	105.2	50%	0.5	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-22.7	175	-75.1	-173.6	178.2	-179.4	0	114.9	Q577 S582 H583	Q577-K579 VanDerWaalsContact C-N 3.26Å; Q577-K579 PolarHBondContact O-N 3.3Å; K579-S582 PolarHBondContact O-OG 3.41Å; K579-H583 PolarHBondContact O-CD2 2.91Å
580	R	37.9	Very low	64.3	Low	218 Å²	218	106 Å²	106	82%	0.823	50%	0.499	S	S	*	.	H	α-helix	trans	-83.6	-16.7	177.3	-72.1	-173.8	-175.3	-177	1.2	112.9	Q577 D578	Q577-R580 PolarHBondContact O-N 2.88Å; D578-R580 VanDerWaalsContact C-N 3.26Å; D578-R580 PolarHBondContact O-N 3.27Å
581	L	35.8	Very low	62.6	Low	154 Å²	154	114 Å²	114	81%	0.806	54%	0.537	S	S	*	.	H	α-helix	trans	-95.4	-9.3	179.3	-69.5	166.3	0	0	0	112.7	D578	D578-L581 PolarHBondContact O-N 3.25Å
582	S	35.4	Very low	60.4	Low	88 Å²	88	110.9 Å²	110.9	62%	0.615	52%	0.523	S	S	*	.			trans	-107.8	18.2	-178.5	60.7	0	0	0	0	114.1	D578 K579	D578-S582 PolarHBondContact O-N 2.91Å; D578-S582 PolarHBondContact O-OG 3.29Å; K579-S582 PolarHBondContact O-OG 3.41Å
583	H	33.1	Very low	57.7	Low	230 Å²	230	118.4 Å²	118.4	100%	1.065	55%	0.552	S	S	*	*			trans	-118.9	0	175.1	-85.6	-51.9	0	0	0	111.8	K579	K579-H583 PolarHBondContact O-CD2 2.91Å

Retrieved 583 of 583 residues in 115 ms (Link to these results)

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