A0A087YCP0_POEFO Loading...

3'-phosphoadenosine 5'-phosphosulfate synthase 2a

AlphaFold DB , UniProt , Accession A0A087YCP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 614 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	39.8	Very low	248 Å²	248	167.1 Å²	167.1	100%	1.222	86%	0.859	S	S	*	*				0	102.6	0	-73	175.4	-169	0	0	107.6
2	S	35.4	Very low	40.1	Very low	111 Å²	111	162.7 Å²	162.7	78%	0.776	85%	0.845	S	S	*	*			trans	-88.5	114.6	179.9	163.3	0	0	0	0	108.4
3	S	34.1	Very low	41.2	Very low	117 Å²	117	167 Å²	167	82%	0.818	84%	0.844	S	S	*	*			trans	-95.8	86.1	172.2	38.9	0	0	0	0	109.3	K5	S3-K5 PolarHBondContact O-N 2.79Å
4	V	37.5	Very low	42.1	Very low	122 Å²	122	162.1 Å²	162.1	74%	0.739	83%	0.833	S	S	*	*			trans	-60.3	114.5	168.3	177.1	0	0	0	0	108.8	K6	V4-K6 PolarHBondContact O-N 2.94Å
5	K	40.6	Very low	43.5	Very low	201 Å²	201	159.9 Å²	159.9	87%	0.874	83%	0.83	S	S	*	*			trans	-65	110.2	166.4	-84.8	179.7	174.8	177.4	0	108.2	S3 L7	S3-K5 PolarHBondContact O-N 2.79Å; K5-L7 PolarHBondContact O-N 3.38Å
6	K	38	Very low	45.3	Very low	198 Å²	198	159.3 Å²	159.3	86%	0.861	83%	0.828	S	S	*	*			trans	-59.4	117.3	169.2	-93.9	178.7	170.6	-179.8	0	109.5	V4 R8	V4-K6 PolarHBondContact O-N 2.94Å; K6-R8 PolarHBondContact O-N 2.85Å
7	L	39.8	Very low	46.7	Very low	155 Å²	155	156.7 Å²	156.7	81%	0.812	82%	0.821	S	S	*	*			trans	-54	125	160.3	-84.4	128.2	0	0	0	108.8	K5 T9	K5-L7 PolarHBondContact O-N 3.38Å; L7-T9 VanDerWaalsContact C-N 3.32Å; L7-T9 PolarHBondContact O-N 3.09Å; L7-T9 VanDerWaalsContact O-N 3.15Å
8	R	39.4	Very low	47.8	Very low	254 Å²	254	155 Å²	155	96%	0.958	82%	0.818	S	S	*	*			trans	-79.9	84.2	167.2	-85.5	-175.9	173.3	175.7	-2.6	108.4	K6	K6-R8 PolarHBondContact O-N 2.85Å
9	T	46.9	Very low	49.2	Very low	119 Å²	119	156.6 Å²	156.6	73%	0.73	81%	0.813	S	S	*	*			trans	-90.4	91.5	157.7	46.7	0	0	0	0	107.5	L7	L7-T9 VanDerWaalsContact C-N 3.32Å; L7-T9 PolarHBondContact O-N 3.09Å; L7-T9 VanDerWaalsContact O-N 3.15Å
10	D	40.6	Very low	50.2	Low	139 Å²	139	157.4 Å²	157.4	74%	0.743	81%	0.812	S	S	*	*			trans	-154	96.3	164.5	-106.6	-24.3	0	0	0	109.8	T12	D10-T12 PolarHBondContact O-N 3.38Å
11	L	49.1	Very low	51.3	Low	174 Å²	174	153.3 Å²	153.3	91%	0.911	80%	0.802	S	S	*	*			trans	-83.2	63.5	162.8	-91.4	156.7	0	0	0	108.8	R13	L11-R13 PolarHBondContact O-N 2.84Å; L11-R13 VanDerWaalsContact O-N 3.11Å
12	T	43.4	Very low	53.3	Low	114 Å²	114	147.5 Å²	147.5	70%	0.699	77%	0.772	S	S	*	*			trans	-70.6	98.6	160.4	36.7	0	0	0	0	108.2	D10 S14	D10-T12 PolarHBondContact O-N 3.38Å; T12-S14 PolarHBondContact O-N 3.38Å
13	R	53.8	Low	55	Low	219 Å²	219	151.7 Å²	151.7	83%	0.826	78%	0.779	S	S	*	*			trans	-61.9	131	168.1	-76.4	-177	174.6	177.6	-1.9	108.7	L11 T15	L11-R13 PolarHBondContact O-N 2.84Å; L11-R13 VanDerWaalsContact O-N 3.11Å; R13-T15 PolarHBondContact O-N 3.26Å
14	S	54.3	Low	57.7	Low	98 Å²	98	149.3 Å²	149.3	69%	0.685	76%	0.759	S	S	*	*			trans	-59.9	105.3	174.9	-56.2	0	0	0	0	110	T12 N16	T12-S14 PolarHBondContact O-N 3.38Å; S14-N16 PolarHBondContact O-N 3.08Å
15	T	62.5	Low	60.3	Low	129 Å²	129	146.8 Å²	146.8	79%	0.791	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-7.3	-178	52.7	0	0	0	0	113.8	R13	R13-T15 PolarHBondContact O-N 3.26Å
16	N	72.9	Confident	62.8	Low	151 Å²	151	140.5 Å²	140.5	81%	0.807	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	18.8	-171.2	-58	-16	0	0	0	113.1	S14	S14-N16 PolarHBondContact O-N 3.08Å
17	V	68.1	Low	65.3	Low	115 Å²	115	135.9 Å²	135.9	70%	0.697	70%	0.702	S	S	*	*			trans	-102.9	117.7	-179.9	-176.2	0	0	0	0	109.5
18	V	67.4	Low	67.8	Low	126 Å²	126	135.3 Å²	135.3	76%	0.764	69%	0.693	S	S	*	*			trans	-104.1	133.1	174.6	-174	0	0	0	0	108.7	Q20	V18-Q20 PolarHBondContact O-N 2.92Å
19	Y	73.3	Confident	70.3	Confident	186 Å²	186	125.3 Å²	125.3	73%	0.729	66%	0.655	S	S	*	*			trans	-64.5	124.2	175.3	180	-100.9	0	0	0	110.3	A21	Y19-A21 HydrophobicContact CE1-CB 4.15Å
20	Q	70.9	Confident	72.4	Confident	171 Å²	171	119.7 Å²	119.7	80%	0.799	62%	0.622	S	S	*	*			trans	-96.7	114.2	172.4	-68.7	-168	-2.6	0	0	109.5	V18	V18-Q20 PolarHBondContact O-N 2.92Å
21	A	72.4	Confident	74.7	Confident	73 Å²	73	117.8 Å²	117.8	60%	0.603	61%	0.608	S	S	*	*			trans	-70.4	139.8	174.4	0	0	0	0	0	110.7	Y19	Y19-A21 HydrophobicContact CE1-CB 4.15Å
22	H	77.8	Confident	76.6	Confident	126 Å²	126	115.2 Å²	115.2	58%	0.583	60%	0.599	S	S	*	*			trans	-66.5	136.2	174.1	-67.5	-78.7	0	0	0	111.3	V24 D111	H22-V24 VanDerWaalsContact C-N 3.25Å; H22-V24 PolarHBondContact O-N 3.16Å; H22-D111 IonicContact NE2-OD2 2.71Å
23	H	71.8	Confident	78.8	Confident	199 Å²	199	111.2 Å²	111.2	92%	0.921	58%	0.575	S	S	*	*	S	Bend	trans	-66.6	-24.8	174.4	-70.2	-64.5	0	0	0	113.6
24	V	90.6	Very high	80.4	Confident	66 Å²	66	102.6 Å²	102.6	40%	0.4	55%	0.554	S	S	.	*	S	Bend	trans	-105.5	119	178.6	-169.1	0	0	0	0	109.3	H22 K28 R29	H22-V24 VanDerWaalsContact C-N 3.25Å; H22-V24 PolarHBondContact O-N 3.16Å; V24-K28 HydrophobicContact CG1-CB 3.83Å; V24-K28 HydrophobicContact CG1-CD 4.08Å; V24-K28 HydrophobicContact CG1-CG 3.89Å; V24-R29 HydrophobicContact CB-CG 4.07Å; V24-R29 HydrophobicContact CG1-CG 3.6Å; V24-R29 PolarHBondContact O-NE 2.57Å
25	S	92.3	Very high	81.5	Confident	69 Å²	69	103.7 Å²	103.7	48%	0.483	56%	0.557	S	S	.	*			trans	-64	155.5	179.7	71.5	0	0	0	0	112.1	N27 K28 R29	S25-N27 PolarHBondContact O-N 2.96Å; S25-K28 PolarHBondContact O-N 3.32Å; S25-K28 VanDerWaalsContact O-N 3.13Å; S25-K28 PolarHBondContact OG-N 2.99Å; S25-R29 PolarHBondContact O-N 3.47Å
26	R	93.8	Very high	82.2	Confident	69 Å²	69	99.4 Å²	99.4	26%	0.26	53%	0.526	S	S	.	.	H	α-helix	trans	-52.8	-41.8	172.8	-77.8	179	-176.6	162.6	5.5	112.5	K28 R29 G30 F39 D111 A138 G139	R26-K28 PolarHBondContact O-N 3.45Å; R26-R29 PolarHBondContact O-N 2.92Å; R26-G30 PolarHBondContact O-N 2.97Å; R26-F39 HydrophobicContact CB-CD1 4.35Å; R26-F39 HydrophobicContact CB-CD2 3.65Å; R26-F39 HydrophobicContact CB-CE1 4.47Å; R26-F39 HydrophobicContact CB-CE2 3.77Å; R26-F39 HydrophobicContact CB-CG 3.94Å; R26-F39 HydrophobicContact CB-CZ 4.19Å; R26-F39 HydrophobicContact CG-CD2 4.16Å; R26-F39 HydrophobicContact CG-CE1 4.47Å; R26-F39 HydrophobicContact CG-CE2 3.72Å; R26-F39 HydrophobicContact CG-CZ 3.9Å; R26-F39 VanDerWaalsContact O-CD2 3.28Å; R26-F39 WeakPolarHBondContact O-CD2 3.46Å; R26-D111 IonicContact CZ-OD1 3.5Å; R26-D111 IonicContact NE-OD1 3.66Å; R26-D111 PolarHBondContact NE-OD1 3.48Å; R26-D111 IonicContact NH2-OD1 3.47Å; R26-D111 PolarHBondContact NH2-OD1 3.37Å; R26-A138 PolarHBondContact NH1-O 3.03Å; R26-A138 PolarHBondContact NH2-O 3.12Å; R26-G139 PolarHBondContact NH1-O 3.08Å; R26-G139 VanDerWaalsContact NH1-O 3.16Å
27	N	90.6	Very high	82.6	Confident	101 Å²	101	94.5 Å²	94.5	54%	0.54	51%	0.511	S	S	.	.	H	α-helix	trans	-57.6	-51.8	177	-174.1	-40.6	0	0	0	110.7	S25 R29 G30 Q31	S25-N27 PolarHBondContact O-N 2.96Å; N27-R29 PolarHBondContact O-N 3.08Å; N27-G30 PolarHBondContact O-N 2.84Å; N27-G30 VanDerWaalsContact O-N 3.14Å; N27-Q31 WeakPolarHBondContact O-CG 3.29Å; N27-Q31 PolarHBondContact O-N 3.15Å; N27-Q31 VanDerWaalsContact O-N 3.08Å; N27-Q31 PolarHBondContact OD1-NE2 3.43Å; N27-Q31 VanDerWaalsContact OD1-NE2 3.1Å
28	K	91.1	Very high	83.5	Confident	144 Å²	144	90.3 Å²	90.3	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-65.8	-37.8	-178.3	-171.9	166.9	-178	178.6	0	112.7	V24 S25 R26 Q31	V24-K28 HydrophobicContact CG1-CB 3.83Å; V24-K28 HydrophobicContact CG1-CD 4.08Å; V24-K28 HydrophobicContact CG1-CG 3.89Å; S25-K28 PolarHBondContact O-N 3.32Å; S25-K28 VanDerWaalsContact O-N 3.13Å; S25-K28 PolarHBondContact OG-N 2.99Å; R26-K28 PolarHBondContact O-N 3.45Å; K28-Q31 PolarHBondContact O-N 3.29Å
29	R	93	Very high	84.7	Confident	43 Å²	43	87.2 Å²	87.2	16%	0.162	47%	0.467	C	S	.	.	H	α-helix	trans	-64.2	-43	171.7	-67.9	-173	-71.7	100.5	-16.5	111.3	V24 S25 R26 N27 Q31 V32 V33 D111 A112	V24-R29 HydrophobicContact CB-CG 4.07Å; V24-R29 HydrophobicContact CG1-CG 3.6Å; V24-R29 PolarHBondContact O-NE 2.57Å; S25-R29 PolarHBondContact O-N 3.47Å; R26-R29 PolarHBondContact O-N 2.92Å; N27-R29 PolarHBondContact O-N 3.08Å; R29-Q31 PolarHBondContact O-N 3.36Å; R29-V32 WeakPolarHBondContact O-CG2 3.31Å; R29-V32 PolarHBondContact O-N 3.34Å; R29-V33 WeakPolarHBondContact O-CG2 3.48Å; R29-V33 PolarHBondContact O-N 2.77Å; R29-V33 VanDerWaalsContact O-N 3.16Å; R29-D111 VanDerWaalsContact CZ-O 3.23Å; R29-D111 IonicContact CZ-OD2 3.38Å; R29-D111 PolarHBondContact NH1-O 2.84Å; R29-D111 PolarHBondContact NH2-O 2.83Å; R29-D111 IonicContact NH2-OD1 3.09Å; R29-D111 IonicContact NH2-OD2 3.52Å; R29-D111 PolarHBondContact NH2-OD2 3.15Å; R29-A112 PolarHBondContact NH1-O 3.08Å
30	G	90.5	Very high	85.8	Confident	2 Å²	2	79.6 Å²	79.6	2%	0.021	44%	0.437	C	S	.	.	H	α-helix	trans	-59.5	-28.7	176.6	0	0	0	0	0	114	R26 N27 V32	R26-G30 PolarHBondContact O-N 2.97Å; N27-G30 PolarHBondContact O-N 2.84Å; N27-G30 VanDerWaalsContact O-N 3.14Å; G30-V32 PolarHBondContact O-N 3.02Å
31	Q	88.4	Confident	87	Confident	99 Å²	99	71.6 Å²	71.6	46%	0.463	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.1	175.1	-59.9	-50.6	-32.4	0	0	114.2	N27 K28 R29	N27-Q31 WeakPolarHBondContact O-CG 3.29Å; N27-Q31 PolarHBondContact O-N 3.15Å; N27-Q31 VanDerWaalsContact O-N 3.08Å; N27-Q31 PolarHBondContact OD1-NE2 3.43Å; N27-Q31 VanDerWaalsContact OD1-NE2 3.1Å; K28-Q31 PolarHBondContact O-N 3.29Å; R29-Q31 PolarHBondContact O-N 3.36Å
32	V	90.4	Very high	88.2	Confident	119 Å²	119	68.1 Å²	68.1	72%	0.721	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-3.6	-177	-59.6	0	0	0	0	113.3	R29 G30 G34	R29-V32 WeakPolarHBondContact O-CG2 3.31Å; R29-V32 PolarHBondContact O-N 3.34Å; G30-V32 PolarHBondContact O-N 3.02Å; V32-G34 PolarHBondContact O-N 2.84Å
33	V	89.6	Confident	89.2	Confident	30 Å²	30	62.1 Å²	62.1	18%	0.182	35%	0.345	C	S	.	.	S	Bend	trans	-90.6	96.1	175.7	173.8	0	0	0	0	108.6	R29 P71 L114	R29-V33 WeakPolarHBondContact O-CG2 3.48Å; R29-V33 PolarHBondContact O-N 2.77Å; R29-V33 VanDerWaalsContact O-N 3.16Å; V33-P71 HydrophobicContact CG1-CB 4.08Å; V33-P71 HydrophobicContact CG1-CG 3.93Å; V33-L114 HydrophobicContact CG1-CD1 4.3Å
34	G	85.9	Confident	90.5	Very high	38 Å²	38	52.7 Å²	52.7	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	86.1	-170.8	-175.1	0	0	0	0	0	112.7	V32	V32-G34 PolarHBondContact O-N 2.84Å
35	T	77.9	Confident	90.9	Very high	122 Å²	122	49.6 Å²	49.6	75%	0.748	28%	0.282	S	S	*	.	S	Bend	trans	-95.8	-13.5	-179	54.2	0	0	0	0	113.3	A69	T35-A69 WeakPolarHBondContact OG1-CB 3.42Å
36	R	77.7	Confident	91.1	Very high	39 Å²	39	46.3 Å²	46.3	15%	0.147	26%	0.259	C	S	.	.	S	Bend	trans	-96.6	118.6	-178.5	-63.1	176.7	177.3	-81.5	-0.6	109.8	R40 H68 I219 G288	R36-R40 VanDerWaalsContact CB-NH2 3.27Å; R36-R40 PolarHBondContact O-NH1 2.82Å; R36-R40 PolarHBondContact O-NH2 3.14Å; R36-H68 PolarHBondContact NE-O 3.32Å; R36-I219 VanDerWaalsContact NE-CD1 3.29Å; R36-G288 PolarHBondContact NH1-O 3.17Å
37	G	80.3	Confident	91.3	Very high	48 Å²	48	43 Å²	43	50%	0.495	25%	0.247	S	C	.	.			trans	-58.1	157.1	179.7	0	0	0	0	0	113.9	R40	G37-R40 PolarHBondContact O-NH2 3.39Å
38	G	87.3	Confident	91.5	Very high	26 Å²	26	38.2 Å²	38.2	27%	0.268	22%	0.221	S	C	.	.	S	Bend	trans	93.7	148.6	178.1	0	0	0	0	0	114.9
39	F	93.3	Very high	91.7	Very high	62 Å²	62	32.4 Å²	32.4	27%	0.272	20%	0.197	S	C	.	.			trans	-80.3	125.4	176.2	179.5	-93.1	0	0	0	110.7	R26 A110 D111 L140	R26-F39 HydrophobicContact CB-CD1 4.35Å; R26-F39 HydrophobicContact CB-CD2 3.65Å; R26-F39 HydrophobicContact CB-CE1 4.47Å; R26-F39 HydrophobicContact CB-CE2 3.77Å; R26-F39 HydrophobicContact CB-CG 3.94Å; R26-F39 HydrophobicContact CB-CZ 4.19Å; R26-F39 HydrophobicContact CG-CD2 4.16Å; R26-F39 HydrophobicContact CG-CE1 4.47Å; R26-F39 HydrophobicContact CG-CE2 3.72Å; R26-F39 HydrophobicContact CG-CZ 3.9Å; R26-F39 VanDerWaalsContact O-CD2 3.28Å; R26-F39 WeakPolarHBondContact O-CD2 3.46Å; F39-A110 WeakPolarHBondContact CZ-O 3.32Å; F39-D111 WeakPolarHBondContact CE2-O 3.31Å; F39-L140 HydrophobicContact CE1-CD2 3.97Å; F39-L140 HydrophobicContact CZ-CD2 3.78Å
40	R	95.3	Very high	91.6	Very high	25 Å²	25	31.4 Å²	31.4	9%	0.094	20%	0.196	C	C	.	.			trans	-130.7	20.3	-179.7	64.5	178.2	63.7	87.7	11.2	113.7	R36 G37 C42 I214	R36-R40 VanDerWaalsContact CB-NH2 3.27Å; R36-R40 PolarHBondContact O-NH1 2.82Å; R36-R40 PolarHBondContact O-NH2 3.14Å; G37-R40 PolarHBondContact O-NH2 3.39Å; R40-C42 PolarHBondContact O-N 2.96Å; R40-I214 HydrophobicContact CB-CG2 4.47Å; R40-I214 WeakPolarHBondContact CD-O 3.38Å; R40-I214 PolarHBondContact NE-O 2.86Å
41	G	96.9	Very high	91.6	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	21%	0.205	C	C	.	.			trans	-62.9	125.1	-179	0	0	0	0	0	112.2	A110 L114	G41-A110 WeakPolarHBondContact CA-O 3.47Å; G41-L114 WeakPolarHBondContact CA-O 3.39Å
42	C	98.3	Very high	91.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	168.3	-177.4	67.1	0	0	0	0	111.5	R40 L114 C116 K141 I214	R40-C42 PolarHBondContact O-N 2.96Å; C42-L114 PolarHBondContact N-O 3.39Å; C42-C116 PolarHBondContact O-N 3.2Å; C42-K141 WeakPolarHBondContact CA-O 3.28Å; C42-K141 HydrophobicContact CB-CB 3.85Å; C42-I214 HydrophobicContact CB-CD1 3.94Å; C42-I214 HydrophobicContact CB-CG1 4.37Å; C42-I214 VanDerWaalsContact SG-CD1 3.59Å
43	T	98.7	Very high	92	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	172.9	-64.8	0	0	0	0	110.7	W45 A106 C116 T118 H135 K141 F142 L143	T43-W45 HydrophobicContact CG2-CE3 4.11Å; T43-A106 HydrophobicContact CG2-CB 3.85Å; T43-A106 PolarHBondContact OG1-O 3.3Å; T43-C116 CarbonylContact C-O 3.57Å; T43-C116 WeakPolarHBondContact CA-O 3.46Å; T43-T118 HydrophobicContact CG2-CG2 4.07Å; T43-H135 WeakPolarHBondContact CB-NE2 3.27Å; T43-H135 PolarHBondContact OG1-CD2 3.16Å; T43-H135 PolarHBondContact OG1-NE2 2.87Å; T43-K141 PolarHBondContact N-O 3.01Å; T43-F142 HydrophobicContact CG2-CD2 4.08Å; T43-F142 HydrophobicContact CG2-CE2 4.16Å; T43-L143 PolarHBondContact O-N 3.28Å
44	I	98.5	Very high	92.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.8	171.3	-56.7	173.3	0	0	0	107	L46 L61 V115 C116 I117 T118 L143 V145 L205 L209	I44-L46 HydrophobicContact CG2-CD2 3.81Å; I44-L61 HydrophobicContact CD1-CD2 3.64Å; I44-L61 HydrophobicContact CG2-CD2 4.46Å; I44-V115 HydrophobicContact CD1-CG1 3.55Å; I44-V115 HydrophobicContact CG1-CG1 4.13Å; I44-C116 PolarHBondContact N-O 2.66Å; I44-I117 HydrophobicContact CB-CG2 4.5Å; I44-I117 HydrophobicContact CD1-CG1 4.46Å; I44-T118 PolarHBondContact O-N 3.13Å; I44-L143 HydrophobicContact CG1-CD1 4.42Å; I44-V145 HydrophobicContact CG2-CG2 3.95Å; I44-L205 HydrophobicContact CG2-CD2 4.39Å; I44-L209 HydrophobicContact CD1-CD1 3.78Å; I44-L209 HydrophobicContact CD1-CD2 3.6Å; I44-L209 HydrophobicContact CD1-CG 4.24Å; I44-L209 HydrophobicContact CG1-CD2 4.06Å
45	W	98.4	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	95.4	-173.2	-166.9	-81.6	0	0	0	111.6	T43 I99 V102 A103 T118 S122 A131 F142 L143 V145	T43-W45 HydrophobicContact CG2-CE3 4.11Å; W45-I99 HydrophobicContact CH2-CG2 3.94Å; W45-I99 HydrophobicContact CZ2-CD1 4.39Å; W45-I99 HydrophobicContact CZ2-CG2 3.73Å; W45-V102 HydrophobicContact CH2-CB 4.3Å; W45-V102 HydrophobicContact CH2-CG1 3.76Å; W45-V102 HydrophobicContact CZ3-CG1 3.9Å; W45-A103 HydrophobicContact CH2-CB 4.31Å; W45-A103 HydrophobicContact CZ3-CB 4.27Å; W45-T118 WeakPolarHBondContact CA-OG1 3.41Å; W45-T118 VanDerWaalsContact CD2-OG1 3.27Å; W45-T118 HydrophobicContact CE3-CG2 3.87Å; W45-T118 HydrophobicContact CZ3-CG2 4.04Å; W45-S122 PolarHBondContact NE1-OG 3.19Å; W45-S122 VanDerWaalsContact NE1-OG 3.11Å; W45-A131 HydrophobicContact CE3-CB 4.42Å; W45-A131 HydrophobicContact CH2-CB 4.07Å; W45-A131 HydrophobicContact CZ2-CB 4.36Å; W45-A131 HydrophobicContact CZ3-CB 4.11Å; W45-F142 HydrophobicContact CB-CE1 4.05Å; W45-F142 HydrophobicContact CB-CE2 3.79Å; W45-F142 HydrophobicContact CB-CZ 3.44Å; W45-F142 VanDerWaalsContact CB-CZ 3.44Å; W45-F142 AromaticContact CD2-CE2 3.94Å; W45-F142 HydrophobicContact CD2-CE2 3.94Å; W45-F142 AromaticContact CD2-CZ 3.79Å; W45-F142 HydrophobicContact CD2-CZ 3.79Å; W45-F142 AromaticContact CE3-CE2 3.68Å; W45-F142 HydrophobicContact CE3-CE2 3.68Å; W45-F142 HydrophobicContact CE3-CZ 4.04Å; W45-F142 HydrophobicContact CG-CE1 4.43Å; W45-F142 HydrophobicContact CG-CE2 4.01Å; W45-F142 AromaticContact CG-CZ 3.54Å; W45-F142 HydrophobicContact CG-CZ 3.54Å; W45-L143 PolarHBondContact N-O 2.7Å; W45-V145 PolarHBondContact O-N 2.59Å
46	L	98.2	Very high	93.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.3	176.7	-46.2	-176.8	0	0	0	110.1	I44 K54 I117 T118 F120 V145 I147	I44-L46 HydrophobicContact CG2-CD2 3.81Å; L46-K54 HydrophobicContact CB-CB 4.34Å; L46-K54 HydrophobicContact CB-CG 4.21Å; L46-K54 WeakPolarHBondContact CD1-O 3.49Å; L46-I117 HydrophobicContact CD1-CG2 4.08Å; L46-I117 HydrophobicContact CG-CG2 4.27Å; L46-T118 WeakPolarHBondContact CA-O 3.41Å; L46-T118 WeakPolarHBondContact CB-O 3.43Å; L46-T118 WeakPolarHBondContact CG-O 3.22Å; L46-T118 PolarHBondContact N-O 3.23Å; L46-F120 PolarHBondContact O-N 3.06Å; L46-V145 WeakPolarHBondContact CA-O 3.43Å; L46-V145 HydrophobicContact CD2-CB 3.75Å; L46-V145 HydrophobicContact CD2-CG1 4.13Å; L46-V145 HydrophobicContact CD2-CG2 4.2Å; L46-I147 HydrophobicContact CB-CG1 4.28Å; L46-I147 HydrophobicContact CD2-CD1 4.39Å
47	T	97.1	Very high	94	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.4	176.4	-177.5	0	0	0	0	111.4	I121 S122 E144 V145 F146 I147 Y181 P184	T47-I121 PolarHBondContact OG1-O 3.39Å; T47-S122 WeakPolarHBondContact CB-OG 3.16Å; T47-S122 PolarHBondContact OG1-O 2.88Å; T47-S122 PolarHBondContact OG1-OG 3.19Å; T47-E144 HydrophobicContact CG2-CG 4.26Å; T47-V145 PolarHBondContact N-O 3.13Å; T47-F146 HydrophobicContact CG2-CD2 4.44Å; T47-I147 PolarHBondContact O-N 3.21Å; T47-Y181 PolarHBondContact OG1-OH 3.47Å; T47-P184 HydrophobicContact CG2-CG 3.71Å
48	G	95.3	Very high	94.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.105	C	C	.	.			trans	156.6	171.9	-179.5	0	0	0	0	0	113.1	K54 I121 Y181	G48-K54 PolarHBondContact O-NZ 2.93Å; G48-I121 PolarHBondContact N-O 2.84Å; G48-I121 WeakPolarHBondContact O-CA 3.49Å; G48-Y181 WeakPolarHBondContact CA-OH 3.46Å; G48-Y181 PolarHBondContact N-OH 3.09Å; G48-Y181 VanDerWaalsContact N-OH 3.16Å
49	L	94.4	Very high	94.8	Very high	22 Å²	22	19.7 Å²	19.7	12%	0.115	11%	0.112	C	C	.	.			trans	-59.9	158	178.9	-65.7	177.3	0	0	0	113.1	A52 K54 L151 T175 Y181	L49-A52 HydrophobicContact CB-CB 4.44Å; L49-A52 WeakPolarHBondContact O-CB 3.23Å; L49-A52 PolarHBondContact O-N 2.83Å; L49-K54 PolarHBondContact O-NZ 3.33Å; L49-L151 HydrophobicContact CD1-CB 4.24Å; L49-L151 HydrophobicContact CD1-CD1 4.16Å; L49-T175 HydrophobicContact CD2-CG2 4.16Å; L49-Y181 HydrophobicContact CD2-CD1 4.47Å; L49-Y181 HydrophobicContact CD2-CD2 4.18Å; L49-Y181 HydrophobicContact CD2-CG 3.85Å
50	S	91.5	Very high	94.5	Very high	22 Å²	22	17.8 Å²	17.8	15%	0.154	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	139.9	169.6	-169.5	0	0	0	0	109.6	A52 C154 Y163	S50-A52 PolarHBondContact O-N 3.39Å; S50-A52 VanDerWaalsContact O-N 3.17Å; S50-C154 VanDerWaalsContact O-CB 3.29Å; S50-C154 WeakPolarHBondContact O-CB 3.26Å; S50-Y163 WeakPolarHBondContact O-CE2 3.47Å; S50-Y163 PolarHBondContact O-OH 3.46Å
51	G	90.3	Very high	94.4	Very high	21 Å²	21	16.6 Å²	16.6	22%	0.216	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-0.9	-177.1	0	0	0	0	0	116.3	G53 R157	G51-G53 VanDerWaalsContact C-N 3.25Å; G51-G53 PolarHBondContact O-N 3.43Å; G51-R157 WeakPolarHBondContact O-CD 3.3Å; G51-R157 PolarHBondContact O-NH1 2.92Å; G51-R157 VanDerWaalsContact O-NH1 3.09Å
52	A	93.6	Very high	94.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-68	-20.6	176.7	0	0	0	0	0	113.8	L49 S50 I147 A149 R157 T193	L49-A52 HydrophobicContact CB-CB 4.44Å; L49-A52 WeakPolarHBondContact O-CB 3.23Å; L49-A52 PolarHBondContact O-N 2.83Å; S50-A52 PolarHBondContact O-N 3.39Å; S50-A52 VanDerWaalsContact O-N 3.17Å; A52-I147 HydrophobicContact CB-CB 4.5Å; A52-I147 HydrophobicContact CB-CG2 3.94Å; A52-I147 WeakPolarHBondContact O-CG2 3.49Å; A52-A149 HydrophobicContact CB-CB 4.12Å; A52-R157 PolarHBondContact O-NH1 2.97Å; A52-T193 VanDerWaalsContact O-CB 3.29Å; A52-T193 WeakPolarHBondContact O-CB 3.36Å; A52-T193 PolarHBondContact O-OG1 2.79Å
53	G	93.1	Very high	93.4	Very high	19 Å²	19	25.6 Å²	25.6	20%	0.196	15%	0.145	C	C	.	.	S	Bend	trans	114.9	8.6	175.4	0	0	0	0	0	116.3	G51 T55 T56 L57	G51-G53 VanDerWaalsContact C-N 3.25Å; G51-G53 PolarHBondContact O-N 3.43Å; G53-T55 PolarHBondContact O-N 2.97Å; G53-T56 WeakPolarHBondContact O-CB 3.46Å; G53-T56 PolarHBondContact O-N 3.19Å; G53-L57 WeakPolarHBondContact O-CG 3.42Å; G53-L57 PolarHBondContact O-N 2.84Å
54	K	94.9	Very high	92.7	Very high	14 Å²	14	27.3 Å²	27.3	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-50.5	-54.5	179.3	-64	179.2	-64.7	-68.8	0	113.4	L46 G48 L49 T56 L57 S58 S119 F120 I147	L46-K54 HydrophobicContact CB-CB 4.34Å; L46-K54 HydrophobicContact CB-CG 4.21Å; L46-K54 WeakPolarHBondContact CD1-O 3.49Å; G48-K54 PolarHBondContact O-NZ 2.93Å; L49-K54 PolarHBondContact O-NZ 3.33Å; K54-T56 VanDerWaalsContact C-N 3.34Å; K54-T56 PolarHBondContact O-N 3.43Å; K54-L57 PolarHBondContact O-N 2.66Å; K54-S58 WeakPolarHBondContact O-CB 3.27Å; K54-S58 PolarHBondContact O-N 3.36Å; K54-S119 WeakPolarHBondContact CB-OG 3.39Å; K54-F120 WeakPolarHBondContact CD-O 3.14Å; K54-F120 WeakPolarHBondContact CE-O 3.34Å; K54-I147 HydrophobicContact CG-CB 4.06Å; K54-I147 HydrophobicContact CG-CG1 3.74Å
55	T	91.4	Very high	92.3	Very high	45 Å²	45	27.3 Å²	27.3	28%	0.276	15%	0.151	S	C	.	.	H	α-helix	trans	-60.7	-42	-178.6	-53.9	0	0	0	0	111.8	G53 S58 F59 D76 S119	G53-T55 PolarHBondContact O-N 2.97Å; T55-S58 PolarHBondContact O-N 2.77Å; T55-F59 HydrophobicContact CG2-CD2 3.81Å; T55-F59 HydrophobicContact CG2-CE2 3.28Å; T55-F59 HydrophobicContact CG2-CZ 3.87Å; T55-F59 WeakPolarHBondContact O-CD2 3.5Å; T55-F59 WeakPolarHBondContact O-CG 3.13Å; T55-F59 PolarHBondContact O-N 2.81Å; T55-F59 VanDerWaalsContact O-N 3.09Å; T55-D76 PolarHBondContact OG1-OD2 2.84Å; T55-S119 PolarHBondContact N-OG 3.36Å; T55-S119 PolarHBondContact OG1-OG 2.92Å
56	T	91.7	Very high	91.6	Very high	81 Å²	81	31.6 Å²	31.6	50%	0.497	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-47.6	176.3	-53.6	0	0	0	0	111.7	G53 K54 A60 V198	G53-T56 WeakPolarHBondContact O-CB 3.46Å; G53-T56 PolarHBondContact O-N 3.19Å; K54-T56 VanDerWaalsContact C-N 3.34Å; K54-T56 PolarHBondContact O-N 3.43Å; T56-A60 WeakPolarHBondContact O-CB 3.34Å; T56-A60 PolarHBondContact O-N 2.8Å; T56-A60 VanDerWaalsContact O-N 3.08Å; T56-V198 HydrophobicContact CG2-CG2 3.92Å
57	L	94.8	Very high	90.3	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-70.5	-35	179.4	-65.5	176.3	0	0	0	112.5	G53 K54 L61 I147 L191 T193 V198 C201 I202	G53-L57 WeakPolarHBondContact O-CG 3.42Å; G53-L57 PolarHBondContact O-N 2.84Å; K54-L57 PolarHBondContact O-N 2.66Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 PolarHBondContact O-N 2.85Å; L57-I147 HydrophobicContact CD1-CD1 3.67Å; L57-I147 HydrophobicContact CD1-CG1 4.42Å; L57-I147 HydrophobicContact CD1-CG2 4.29Å; L57-L191 HydrophobicContact CD1-CD1 3.83Å; L57-T193 HydrophobicContact CD1-CG2 4.06Å; L57-V198 HydrophobicContact CD2-CG1 4.23Å; L57-C201 HydrophobicContact CD1-CB 4.14Å; L57-C201 HydrophobicContact CD2-CB 3.43Å; L57-C201 VanDerWaalsContact CD2-CB 3.43Å; L57-C201 HydrophobicContact CG-CB 4.45Å; L57-I202 HydrophobicContact CD2-CD1 4.37Å
58	S	95.1	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-47.2	176.4	-157.1	0	0	0	0	111.4	K54 T55 E62 S74 I117	K54-S58 WeakPolarHBondContact O-CB 3.27Å; K54-S58 PolarHBondContact O-N 3.36Å; T55-S58 PolarHBondContact O-N 2.77Å; S58-E62 VanDerWaalsContact O-CB 3.3Å; S58-E62 WeakPolarHBondContact O-CB 3.5Å; S58-E62 PolarHBondContact O-N 2.79Å; S58-S74 PolarHBondContact OG-OG 2.81Å; S58-I117 WeakPolarHBondContact OG-CG2 3.37Å
59	F	90.1	Very high	88.7	Confident	94 Å²	94	36.2 Å²	36.2	41%	0.412	21%	0.21	S	C	.	.	H	α-helix	trans	-72.1	-40.3	179.4	-65.1	-36.7	0	0	0	113	T55 L61 E62 E63	T55-F59 HydrophobicContact CG2-CD2 3.81Å; T55-F59 HydrophobicContact CG2-CE2 3.28Å; T55-F59 HydrophobicContact CG2-CZ 3.87Å; T55-F59 WeakPolarHBondContact O-CD2 3.5Å; T55-F59 WeakPolarHBondContact O-CG 3.13Å; T55-F59 PolarHBondContact O-N 2.81Å; T55-F59 VanDerWaalsContact O-N 3.09Å; F59-L61 VanDerWaalsContact C-N 3.31Å; F59-L61 PolarHBondContact O-N 2.88Å; F59-E62 PolarHBondContact O-N 3.49Å; F59-E63 WeakPolarHBondContact O-CB 3.21Å; F59-E63 PolarHBondContact O-N 3.25Å
60	A	86.5	Confident	88.5	Confident	22 Å²	22	35.2 Å²	35.2	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-37.5	175.6	0	0	0	0	0	111.8	T56 Y64 V198 I202	T56-A60 WeakPolarHBondContact O-CB 3.34Å; T56-A60 PolarHBondContact O-N 2.8Å; T56-A60 VanDerWaalsContact O-N 3.08Å; A60-Y64 PolarHBondContact O-N 2.81Å; A60-V198 HydrophobicContact CB-CG1 3.96Å; A60-I202 HydrophobicContact CB-CD1 3.8Å; A60-I202 HydrophobicContact CB-CG1 3.9Å
61	L	93.4	Very high	88.7	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.4	-41.3	173.9	-180	61.3	0	0	0	111.8	I44 L57 F59 Y64 L65 I117 I202 L205 L206 L209	I44-L61 HydrophobicContact CD1-CD2 3.64Å; I44-L61 HydrophobicContact CG2-CD2 4.46Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 PolarHBondContact O-N 2.85Å; F59-L61 VanDerWaalsContact C-N 3.31Å; F59-L61 PolarHBondContact O-N 2.88Å; L61-Y64 PolarHBondContact O-N 3.06Å; L61-L65 HydrophobicContact CD1-CD1 4.27Å; L61-L65 HydrophobicContact CD1-CG 4.14Å; L61-L65 HydrophobicContact CG-CD1 4.11Å; L61-L65 HydrophobicContact CG-CG 4.39Å; L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 2.98Å; L61-I117 HydrophobicContact CB-CD1 4.2Å; L61-I117 HydrophobicContact CD2-CD1 3.92Å; L61-I117 HydrophobicContact CD2-CG1 4.27Å; L61-I117 HydrophobicContact CG-CD1 3.9Å; L61-I202 HydrophobicContact CB-CD1 3.81Å; L61-L205 HydrophobicContact CD2-CD1 4.38Å; L61-L206 HydrophobicContact CD1-CD2 4.13Å; L61-L209 HydrophobicContact CD1-CD1 4.15Å
62	E	93.3	Very high	89	Confident	48 Å²	48	35.6 Å²	35.6	22%	0.224	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-48	175	178.2	169.9	-118.9	0	0	111.4	S58 F59 Y64 L65 V66 S74 I117	S58-E62 VanDerWaalsContact O-CB 3.3Å; S58-E62 WeakPolarHBondContact O-CB 3.5Å; S58-E62 PolarHBondContact O-N 2.79Å; F59-E62 PolarHBondContact O-N 3.49Å; E62-Y64 VanDerWaalsContact C-N 3.32Å; E62-Y64 PolarHBondContact O-N 3.46Å; E62-L65 PolarHBondContact O-N 2.99Å; E62-V66 HydrophobicContact CG-CG2 4.47Å; E62-V66 WeakPolarHBondContact O-CB 3.5Å; E62-V66 VanDerWaalsContact O-CG2 3.28Å; E62-V66 WeakPolarHBondContact O-CG2 3.38Å; E62-V66 PolarHBondContact O-N 2.85Å; E62-S74 WeakPolarHBondContact OE1-CB 3.27Å; E62-S74 PolarHBondContact OE1-N 2.67Å; E62-I117 HydrophobicContact CB-CD1 4.13Å
63	E	82.1	Confident	89.1	Confident	146 Å²	146	41.2 Å²	41.2	68%	0.682	23%	0.226	S	C	*	.	H	α-helix	trans	-57.5	-44.7	174.9	-177.2	175.3	-165.6	0	0	111.6	F59 S67	F59-E63 WeakPolarHBondContact O-CB 3.21Å; F59-E63 PolarHBondContact O-N 3.25Å; E63-S67 VanDerWaalsContact O-CB 3.31Å; E63-S67 WeakPolarHBondContact O-CB 3.44Å; E63-S67 PolarHBondContact O-N 2.84Å; E63-S67 PolarHBondContact O-OG 3.05Å
64	Y	83.4	Confident	89.2	Confident	36 Å²	36	40.8 Å²	40.8	14%	0.141	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-49.8	176.2	-172.1	-81.3	0	0	0	112.1	A60 L61 E62 V66 S67 H68 L206 I219	A60-Y64 PolarHBondContact O-N 2.81Å; L61-Y64 PolarHBondContact O-N 3.06Å; E62-Y64 VanDerWaalsContact C-N 3.32Å; E62-Y64 PolarHBondContact O-N 3.46Å; Y64-V66 PolarHBondContact O-N 2.95Å; Y64-S67 WeakPolarHBondContact CA-OG 3.43Å; Y64-S67 PolarHBondContact O-N 2.85Å; Y64-S67 PolarHBondContact O-OG 3.19Å; Y64-H68 AromaticContact CD1-ND1 3.61Å; Y64-H68 AromaticContact CD2-CE1 3.74Å; Y64-H68 AromaticContact CE1-CE1 3.72Å; Y64-H68 AromaticContact CE1-ND1 3.46Å; Y64-H68 WeakPolarHBondContact CE1-ND1 3.19Å; Y64-H68 AromaticContact CE2-CE1 3.34Å; Y64-H68 WeakPolarHBondContact CE2-CE1 2.99Å; Y64-H68 AromaticContact CE2-ND1 3.87Å; Y64-H68 AromaticContact CG-ND1 3.91Å; Y64-H68 AromaticContact CZ-CE1 3.34Å; Y64-H68 AromaticContact CZ-ND1 3.6Å; Y64-H68 AromaticContact CZ-NE2 3.92Å; Y64-H68 PolarHBondContact O-N 2.93Å; Y64-H68 PolarHBondContact O-ND1 2.93Å; Y64-L206 HydrophobicContact CD1-CD1 3.8Å; Y64-L206 HydrophobicContact CD1-CD2 3.33Å; Y64-L206 HydrophobicContact CD1-CG 4.16Å; Y64-L206 HydrophobicContact CD2-CD1 3.79Å; Y64-L206 HydrophobicContact CE1-CD1 3.47Å; Y64-L206 VanDerWaalsContact CE1-CD1 3.47Å; Y64-L206 HydrophobicContact CE1-CD2 3.25Å; Y64-L206 HydrophobicContact CE1-CG 3.97Å; Y64-L206 HydrophobicContact CE2-CD1 3.47Å; Y64-L206 VanDerWaalsContact CE2-CD1 3.47Å; Y64-L206 HydrophobicContact CG-CD1 3.93Å; Y64-L206 HydrophobicContact CG-CD2 4.13Å; Y64-I219 HydrophobicContact CE1-CG2 3.93Å; Y64-I219 PolarHBondContact OH-O 3.2Å
65	L	89.3	Confident	89.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-42.6	-178.6	-67.8	175.4	0	0	0	111.7	L61 E62 H68 A69 I70 C72 V115 I117 L209 V215	L61-L65 HydrophobicContact CD1-CD1 4.27Å; L61-L65 HydrophobicContact CD1-CG 4.14Å; L61-L65 HydrophobicContact CG-CD1 4.11Å; L61-L65 HydrophobicContact CG-CG 4.39Å; L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 2.98Å; E62-L65 PolarHBondContact O-N 2.99Å; L65-H68 CarbonylContact O-C 3.57Å; L65-H68 PolarHBondContact O-N 2.97Å; L65-A69 PolarHBondContact O-N 2.83Å; L65-I70 CarbonylContact C-O 3.55Å; L65-I70 HydrophobicContact CB-CB 4.15Å; L65-I70 HydrophobicContact CB-CG2 4.29Å; L65-I70 HydrophobicContact CD2-CB 4.2Å; L65-I70 HydrophobicContact CD2-CD1 4.05Å; L65-I70 HydrophobicContact CD2-CG2 4.03Å; L65-I70 WeakPolarHBondContact O-CA 3.41Å; L65-I70 WeakPolarHBondContact O-CB 3.32Å; L65-I70 PolarHBondContact O-N 3.37Å; L65-C72 HydrophobicContact CB-CB 4.18Å; L65-C72 HydrophobicContact CD1-CB 3.78Å; L65-V115 HydrophobicContact CD1-CB 3.97Å; L65-V115 HydrophobicContact CD1-CG1 3.66Å; L65-V115 HydrophobicContact CD1-CG2 4.37Å; L65-I117 HydrophobicContact CD1-CD1 4.3Å; L65-L209 HydrophobicContact CD2-CD1 4.48Å; L65-V215 HydrophobicContact CD2-CG2 3.79Å
66	V	84.6	Confident	89.1	Confident	91 Å²	91	38.5 Å²	38.5	55%	0.552	21%	0.206	S	C	*	.	H	α-helix	trans	-62.8	-47.3	178	170.2	0	0	0	0	111.4	E62 Y64 H68 A69	E62-V66 HydrophobicContact CG-CG2 4.47Å; E62-V66 WeakPolarHBondContact O-CB 3.5Å; E62-V66 VanDerWaalsContact O-CG2 3.28Å; E62-V66 WeakPolarHBondContact O-CG2 3.38Å; E62-V66 PolarHBondContact O-N 2.85Å; Y64-V66 PolarHBondContact O-N 2.95Å; V66-H68 PolarHBondContact O-N 2.91Å; V66-A69 PolarHBondContact O-N 3.13Å
67	S	70.9	Confident	88.5	Confident	43 Å²	43	35.1 Å²	35.1	30%	0.301	19%	0.188	S	C	.	.	H	α-helix	trans	-60.3	-25.4	177.7	58.1	0	0	0	0	112.9	E63 Y64 T542	E63-S67 VanDerWaalsContact O-CB 3.31Å; E63-S67 WeakPolarHBondContact O-CB 3.44Å; E63-S67 PolarHBondContact O-N 2.84Å; E63-S67 PolarHBondContact O-OG 3.05Å; Y64-S67 WeakPolarHBondContact CA-OG 3.43Å; Y64-S67 PolarHBondContact O-N 2.85Å; Y64-S67 PolarHBondContact O-OG 3.19Å; S67-T542 VanDerWaalsContact O-CG2 3.26Å; S67-T542 WeakPolarHBondContact O-CG2 3.46Å
68	H	77.4	Confident	87.5	Confident	13 Å²	13	38.6 Å²	38.6	6%	0.06	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	17	175.2	-62.2	87.6	0	0	0	114	R36 Y64 L65 V66 I70 I219	R36-H68 PolarHBondContact NE-O 3.32Å; Y64-H68 AromaticContact CD1-ND1 3.61Å; Y64-H68 AromaticContact CD2-CE1 3.74Å; Y64-H68 AromaticContact CE1-CE1 3.72Å; Y64-H68 AromaticContact CE1-ND1 3.46Å; Y64-H68 WeakPolarHBondContact CE1-ND1 3.19Å; Y64-H68 AromaticContact CE2-CE1 3.34Å; Y64-H68 WeakPolarHBondContact CE2-CE1 2.99Å; Y64-H68 AromaticContact CE2-ND1 3.87Å; Y64-H68 AromaticContact CG-ND1 3.91Å; Y64-H68 AromaticContact CZ-CE1 3.34Å; Y64-H68 AromaticContact CZ-ND1 3.6Å; Y64-H68 AromaticContact CZ-NE2 3.92Å; Y64-H68 PolarHBondContact O-N 2.93Å; Y64-H68 PolarHBondContact O-ND1 2.93Å; L65-H68 CarbonylContact O-C 3.57Å; L65-H68 PolarHBondContact O-N 2.97Å; V66-H68 PolarHBondContact O-N 2.91Å; H68-I70 VanDerWaalsContact C-N 3.26Å; H68-I70 PolarHBondContact O-N 2.72Å; H68-I219 HydrophobicContact CB-CD1 4.35Å; H68-I219 HydrophobicContact CB-CG2 3.69Å; H68-I219 VanDerWaalsContact CD2-CG2 3.41Å; H68-I219 WeakPolarHBondContact CD2-CG2 3.38Å; H68-I219 VanDerWaalsContact CG-CG2 3.48Å
69	A	80.5	Confident	86.7	Confident	40 Å²	40	43.3 Å²	43.3	33%	0.331	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	33.6	178.5	0	0	0	0	0	114.1	T35 L65 V66 P71	T35-A69 WeakPolarHBondContact OG1-CB 3.42Å; L65-A69 PolarHBondContact O-N 2.83Å; V66-A69 PolarHBondContact O-N 3.13Å; A69-P71 WeakPolarHBondContact O-CD 3.35Å
70	I	90.6	Very high	86.6	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.218	C	C	.	.			trans	-101.4	109.2	170	-65.2	173.6	0	0	0	108.1	L65 H68 C72 V115 V215 I219	L65-I70 CarbonylContact C-O 3.55Å; L65-I70 HydrophobicContact CB-CB 4.15Å; L65-I70 HydrophobicContact CB-CG2 4.29Å; L65-I70 HydrophobicContact CD2-CB 4.2Å; L65-I70 HydrophobicContact CD2-CD1 4.05Å; L65-I70 HydrophobicContact CD2-CG2 4.03Å; L65-I70 WeakPolarHBondContact O-CA 3.41Å; L65-I70 WeakPolarHBondContact O-CB 3.32Å; L65-I70 PolarHBondContact O-N 3.37Å; H68-I70 VanDerWaalsContact C-N 3.26Å; H68-I70 PolarHBondContact O-N 2.72Å; I70-C72 PolarHBondContact O-N 2.8Å; I70-V115 HydrophobicContact CG2-CG2 3.87Å; I70-V215 HydrophobicContact CD1-CB 4.39Å; I70-V215 HydrophobicContact CD1-CG1 4.33Å; I70-V215 HydrophobicContact CD1-CG2 3.9Å; I70-I219 HydrophobicContact CD1-CD1 3.7Å; I70-I219 HydrophobicContact CG1-CD1 4.38Å
71	P	95.2	Very high	86.5	Confident	38 Å²	38	42 Å²	42	25%	0.247	22%	0.22	C	C	.	.			trans	-62.4	126.2	177.3	-24.7	36	0	0	0	111.9	V33 A69 L114 V115	V33-P71 HydrophobicContact CG1-CB 4.08Å; V33-P71 HydrophobicContact CG1-CG 3.93Å; A69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-L114 HydrophobicContact CB-CG 4.23Å; P71-V115 PolarHBondContact O-N 2.74Å; P71-V115 VanDerWaalsContact O-N 3.1Å
72	C	97.1	Very high	86.2	Confident	14 Å²	14	49.5 Å²	49.5	10%	0.095	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	167.5	178.4	61.9	0	0	0	0	110.9	L65 I70 V115	L65-C72 HydrophobicContact CB-CB 4.18Å; L65-C72 HydrophobicContact CD1-CB 3.78Å; I70-C72 PolarHBondContact O-N 2.8Å; C72-V115 CarbonylContact C-O 3.48Å; C72-V115 WeakPolarHBondContact CA-O 3.45Å; C72-V115 HydrophobicContact CB-CB 3.89Å; C72-V115 WeakPolarHBondContact CB-O 2.85Å
73	Y	96.6	Very high	86.2	Confident	118 Å²	118	49.1 Å²	49.1	46%	0.463	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	128.3	174.1	-164.7	-99.9	0	0	0	111.4	L75 F109 V115 C116 I117	Y73-L75 HydrophobicContact CD1-CD2 3.69Å; Y73-L75 HydrophobicContact CE1-CD2 3.71Å; Y73-F109 AromaticContact CD1-CE1 3.91Å; Y73-F109 HydrophobicContact CD1-CE1 3.91Å; Y73-F109 HydrophobicContact CD1-CE2 4.13Å; Y73-F109 AromaticContact CD1-CZ 3.67Å; Y73-F109 HydrophobicContact CD1-CZ 3.67Å; Y73-F109 HydrophobicContact CE1-CE2 4.48Å; Y73-F109 AromaticContact CE1-CZ 3.98Å; Y73-F109 HydrophobicContact CE1-CZ 3.98Å; Y73-F109 AromaticContact CG-CE1 3.97Å; Y73-F109 HydrophobicContact CG-CE1 3.97Å; Y73-F109 HydrophobicContact CG-CZ 4.2Å; Y73-V115 PolarHBondContact N-O 3.35Å; Y73-C116 WeakPolarHBondContact O-CA 3.34Å; Y73-I117 PolarHBondContact O-N 3.14Å
74	S	95.2	Very high	86.6	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.063	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.6	179.3	-174.2	0	0	0	0	112.6	S58 E62 I117	S58-S74 PolarHBondContact OG-OG 2.81Å; E62-S74 WeakPolarHBondContact OE1-CB 3.27Å; E62-S74 PolarHBondContact OE1-N 2.67Å; S74-I117 CarbonylContact C-O 3.25Å; S74-I117 WeakPolarHBondContact CA-O 3.47Å
75	L	94.9	Very high	87.1	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	103.3	168.4	-54.7	-178.1	0	0	0	108.8	Y73 I80 V105 A106 F109 C116 I117 T118 S119 F120	Y73-L75 HydrophobicContact CD1-CD2 3.69Å; Y73-L75 HydrophobicContact CE1-CD2 3.71Å; L75-I80 HydrophobicContact CB-CG1 4.44Å; L75-I80 HydrophobicContact CD2-CD1 4.21Å; L75-V105 HydrophobicContact CD1-CB 4.37Å; L75-V105 HydrophobicContact CD1-CG1 3.86Å; L75-V105 HydrophobicContact CD2-CG1 4.38Å; L75-A106 HydrophobicContact CD1-CB 4.15Å; L75-F109 HydrophobicContact CD2-CD2 4.44Å; L75-F109 HydrophobicContact CD2-CE2 4.02Å; L75-C116 VanDerWaalsContact CD1-SG 3.56Å; L75-I117 PolarHBondContact N-O 3.43Å; L75-T118 HydrophobicContact CB-CG2 4.36Å; L75-T118 HydrophobicContact CD1-CG2 4.27Å; L75-T118 CarbonylContact O-C 3.54Å; L75-T118 WeakPolarHBondContact O-CA 3.39Å; L75-S119 PolarHBondContact O-N 2.92Å; L75-F120 HydrophobicContact CB-CE2 4.12Å; L75-F120 WeakPolarHBondContact O-CE2 3.39Å
76	D	88.8	Confident	87.3	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.8	174.5	-172	-86.5	0	0	0	111.3	T55 D78 N79 I80 S119	T55-D76 PolarHBondContact OG1-OD2 2.84Å; D76-D78 PolarHBondContact O-N 2.62Å; D76-D78 WeakPolarHBondContact OD1-CB 3.38Å; D76-D78 PolarHBondContact OD1-N 2.82Å; D76-N79 PolarHBondContact O-N 2.84Å; D76-N79 VanDerWaalsContact O-N 3.14Å; D76-I80 PolarHBondContact O-N 3.34Å; D76-S119 WeakPolarHBondContact OD2-CB 3.46Å; D76-S119 PolarHBondContact OD2-OG 3.33Å
77	G	78.8	Confident	87.6	Confident	10 Å²	10	53.4 Å²	53.4	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-30.8	-179.2	0	0	0	0	0	114.9	R81 S119	G77-R81 WeakPolarHBondContact O-CB 3.3Å; G77-R81 WeakPolarHBondContact O-CD 3.4Å; G77-R81 WeakPolarHBondContact O-CG 3.23Å; G77-R81 PolarHBondContact O-N 2.99Å; G77-S119 PolarHBondContact N-O 3.41Å
78	D	74	Confident	88.5	Confident	75 Å²	75	52.3 Å²	52.3	40%	0.401	27%	0.273	S	S	.	.	H	α-helix	trans	-70.8	-44.6	175.5	-65.2	-18.3	0	0	0	110.2	D76 R81 H82 K160	D76-D78 PolarHBondContact O-N 2.62Å; D76-D78 WeakPolarHBondContact OD1-CB 3.38Å; D76-D78 PolarHBondContact OD1-N 2.82Å; D78-R81 PolarHBondContact O-N 3.05Å; D78-H82 PolarHBondContact O-CD2 3.24Å; D78-K160 VanDerWaalsContact CG-NZ 3.29Å; D78-K160 IonicContact OD1-NZ 2.74Å; D78-K160 PolarHBondContact OD1-NZ 3.44Å; D78-K160 IonicContact OD2-NZ 3.8Å; D78-K160 PolarHBondContact OD2-NZ 3.19Å
79	N	78.1	Confident	88.8	Confident	99 Å²	99	53 Å²	53	53%	0.529	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-45.6	-176.4	-68	-17.1	0	0	0	112.5	D76 R81 H82	D76-N79 PolarHBondContact O-N 2.84Å; D76-N79 VanDerWaalsContact O-N 3.14Å; N79-R81 VanDerWaalsContact C-N 3.3Å; N79-R81 PolarHBondContact O-N 3.34Å; N79-H82 PolarHBondContact O-N 2.9Å
80	I	88.9	Confident	88.9	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.128	30%	0.298	C	S	.	.	H	α-helix	trans	-67.6	-31.7	-178.1	-72.8	-69.6	0	0	0	111.9	L75 D76 H82 G83 L84 N85 V102 F120	L75-I80 HydrophobicContact CB-CG1 4.44Å; L75-I80 HydrophobicContact CD2-CD1 4.21Å; D76-I80 PolarHBondContact O-N 3.34Å; I80-H82 VanDerWaalsContact C-N 3.3Å; I80-H82 PolarHBondContact O-N 3.46Å; I80-G83 CarbonylContact O-C 3.57Å; I80-G83 PolarHBondContact O-N 2.79Å; I80-L84 PolarHBondContact O-N 3.13Å; I80-N85 HydrophobicContact CG2-CB 3.89Å; I80-N85 VanDerWaalsContact CG2-ND2 3.3Å; I80-N85 WeakPolarHBondContact CG2-ND2 3.41Å; I80-N85 PolarHBondContact O-N 3.41Å; I80-V102 HydrophobicContact CG2-CG2 4.08Å; I80-F120 HydrophobicContact CB-CZ 4.17Å; I80-F120 HydrophobicContact CG1-CZ 4.14Å
81	R	84.2	Confident	88.6	Confident	64 Å²	64	60.4 Å²	60.4	24%	0.242	32%	0.316	C	S	.	.	H	α-helix	trans	-70.3	-20.7	177.4	-78	-179.7	175.8	-88.8	-0.6	113.7	G77 D78 N79 K86 G89	G77-R81 WeakPolarHBondContact O-CB 3.3Å; G77-R81 WeakPolarHBondContact O-CD 3.4Å; G77-R81 WeakPolarHBondContact O-CG 3.23Å; G77-R81 PolarHBondContact O-N 2.99Å; D78-R81 PolarHBondContact O-N 3.05Å; N79-R81 VanDerWaalsContact C-N 3.3Å; N79-R81 PolarHBondContact O-N 3.34Å; R81-K86 WeakPolarHBondContact O-CA 3.32Å; R81-K86 WeakPolarHBondContact O-CB 3.26Å; R81-K86 PolarHBondContact O-N 3.29Å; R81-G89 PolarHBondContact NH1-O 2.98Å; R81-G89 VanDerWaalsContact NH1-O 3.09Å
82	H	87	Confident	87.9	Confident	158 Å²	158	63 Å²	63	73%	0.731	33%	0.328	S	S	*	.	H	α-helix	trans	-79.5	-20.4	171.7	-69.5	-64.2	0	0	0	113.4	D78 N79 I80	D78-H82 PolarHBondContact O-CD2 3.24Å; N79-H82 PolarHBondContact O-N 2.9Å; I80-H82 VanDerWaalsContact C-N 3.3Å; I80-H82 PolarHBondContact O-N 3.46Å
83	G	91.9	Very high	87.4	Confident	40 Å²	40	68.6 Å²	68.6	41%	0.412	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-100.8	-175.1	0	0	0	0	0	113.2	I80 N85 K86	I80-G83 CarbonylContact O-C 3.57Å; I80-G83 PolarHBondContact O-N 2.79Å; G83-N85 PolarHBondContact O-N 3.29Å; G83-K86 WeakPolarHBondContact O-CB 3.5Å; G83-K86 VanDerWaalsContact O-CG 3.27Å; G83-K86 WeakPolarHBondContact O-CG 3.42Å; G83-K86 PolarHBondContact O-N 3.24Å
84	L	91.9	Very high	87	Confident	88 Å²	88	65.3 Å²	65.3	46%	0.461	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.9	-173.1	-178.4	65	0	0	0	113.1	I80 R101 V105	I80-L84 PolarHBondContact O-N 3.13Å; L84-R101 HydrophobicContact CD2-CB 4.32Å; L84-R101 PolarHBondContact O-NH1 3.06Å; L84-V105 HydrophobicContact CD2-CG2 3.49Å; L84-V105 VanDerWaalsContact CD2-CG2 3.49Å
85	N	94.2	Very high	86.6	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	17.6	-175.1	-67.8	-3.1	0	0	0	113.2	I80 G83 N87 L88 N98 R101	I80-N85 HydrophobicContact CG2-CB 3.89Å; I80-N85 VanDerWaalsContact CG2-ND2 3.3Å; I80-N85 WeakPolarHBondContact CG2-ND2 3.41Å; I80-N85 PolarHBondContact O-N 3.41Å; G83-N85 PolarHBondContact O-N 3.29Å; N85-N87 PolarHBondContact O-N 3.3Å; N85-N87 VanDerWaalsContact O-N 3.1Å; N85-L88 HydrophobicContact CB-CD1 3.99Å; N85-L88 HydrophobicContact CB-CG 4.46Å; N85-L88 PolarHBondContact O-N 2.78Å; N85-N98 PolarHBondContact ND2-O 2.89Å; N85-N98 PolarHBondContact ND2-OD1 3.19Å; N85-R101 WeakPolarHBondContact OD1-CD 3.4Å
86	K	91.9	Very high	86.3	Confident	165 Å²	165	70.3 Å²	70.3	72%	0.717	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.5	-179.6	73.8	-176.4	179.3	178.8	0	115.1	R81 G83	R81-K86 WeakPolarHBondContact O-CA 3.32Å; R81-K86 WeakPolarHBondContact O-CB 3.26Å; R81-K86 PolarHBondContact O-N 3.29Å; G83-K86 WeakPolarHBondContact O-CB 3.5Å; G83-K86 VanDerWaalsContact O-CG 3.27Å; G83-K86 WeakPolarHBondContact O-CG 3.42Å; G83-K86 PolarHBondContact O-N 3.24Å
87	N	91.7	Very high	86.5	Confident	109 Å²	109	72.3 Å²	72.3	58%	0.583	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.2	178.8	65.7	-29.7	0	0	0	113.6	N85 R101	N85-N87 PolarHBondContact O-N 3.3Å; N85-N87 VanDerWaalsContact O-N 3.1Å; N87-R101 PolarHBondContact OD1-NH1 3.41Å
88	L	89.6	Confident	87.2	Confident	19 Å²	19	72.1 Å²	72.1	10%	0.099	37%	0.369	C	S	.	.			trans	-99.4	130.6	-178.9	-57.7	179.5	0	0	0	110.2	N85 D94 E97 N98	N85-L88 HydrophobicContact CB-CD1 3.99Å; N85-L88 HydrophobicContact CB-CG 4.46Å; N85-L88 PolarHBondContact O-N 2.78Å; L88-D94 HydrophobicContact CB-CB 4.25Å; L88-E97 HydrophobicContact CD1-CB 4.29Å; L88-E97 HydrophobicContact CD1-CG 3.95Å; L88-E97 HydrophobicContact CD2-CB 4.32Å; L88-E97 HydrophobicContact CD2-CG 3.87Å; L88-N98 HydrophobicContact CD1-CB 3.75Å
89	G	84.3	Confident	88.1	Confident	28 Å²	28	68.9 Å²	68.9	29%	0.289	35%	0.352	S	S	.	.			trans	-83.1	-136.9	172.6	0	0	0	0	0	112.6	R81 D94	R81-G89 PolarHBondContact NH1-O 2.98Å; R81-G89 VanDerWaalsContact NH1-O 3.09Å; G89-D94 VanDerWaalsContact CA-OD2 3.23Å; G89-D94 WeakPolarHBondContact CA-OD2 3.43Å; G89-D94 PolarHBondContact N-OD2 2.8Å
90	F	81.8	Confident	89	Confident	143 Å²	143	69.4 Å²	69.4	63%	0.627	35%	0.347	S	S	*	.	S	Bend	trans	-130.6	13.1	-175.5	-63.8	-79.5	0	0	0	113.4	R95	F90-R95 PolarHBondContact O-NE 2.74Å; F90-R95 PolarHBondContact O-NH2 3.24Å
91	S	83.9	Confident	89.4	Confident	53 Å²	53	70.5 Å²	70.5	37%	0.371	35%	0.349	S	S	.	.	S	Bend	trans	-66.3	165.2	168.7	82.2	0	0	0	0	110.5	E93 D94 R95	S91-E93 VanDerWaalsContact C-N 3.31Å; S91-E93 WeakPolarHBondContact CB-OE2 3.37Å; S91-E93 PolarHBondContact O-N 3.13Å; S91-E93 PolarHBondContact OG-OE2 3.45Å; S91-D94 PolarHBondContact O-N 2.82Å; S91-D94 PolarHBondContact OG-N 3.41Å; S91-R95 WeakPolarHBondContact O-CB 3.27Å; S91-R95 VanDerWaalsContact O-CG 3.24Å; S91-R95 WeakPolarHBondContact O-CG 3.48Å; S91-R95 PolarHBondContact O-N 2.92Å
92	D	81	Confident	90	Very high	93 Å²	93	67.5 Å²	67.5	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-38	-179.8	-65.3	-29.3	0	0	0	111.6	R95 E96	D92-R95 WeakPolarHBondContact O-CB 3.47Å; D92-R95 PolarHBondContact O-N 3.12Å; D92-E96 PolarHBondContact O-N 3.01Å
93	E	86.7	Confident	90.5	Very high	132 Å²	132	60.1 Å²	60.1	62%	0.617	30%	0.304	S	S	*	.	H	α-helix	trans	-66	-40.8	175.4	-54	81	-177.1	0	0	112.1	S91 R95 E96 E97	S91-E93 VanDerWaalsContact C-N 3.31Å; S91-E93 WeakPolarHBondContact CB-OE2 3.37Å; S91-E93 PolarHBondContact O-N 3.13Å; S91-E93 PolarHBondContact OG-OE2 3.45Å; E93-R95 VanDerWaalsContact C-N 3.29Å; E93-R95 PolarHBondContact O-N 2.84Å; E93-E96 PolarHBondContact O-N 3.4Å; E93-E97 WeakPolarHBondContact O-CB 3.47Å; E93-E97 PolarHBondContact O-N 2.87Å
94	D	88.9	Confident	90.7	Very high	49 Å²	49	61.5 Å²	61.5	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-67.3	-31.9	175.8	-80.9	-19	0	0	0	111.7	L88 G89 S91 N98	L88-D94 HydrophobicContact CB-CB 4.25Å; G89-D94 VanDerWaalsContact CA-OD2 3.23Å; G89-D94 WeakPolarHBondContact CA-OD2 3.43Å; G89-D94 PolarHBondContact N-OD2 2.8Å; S91-D94 PolarHBondContact O-N 2.82Å; S91-D94 PolarHBondContact OG-N 3.41Å; D94-N98 WeakPolarHBondContact O-CB 3.39Å; D94-N98 PolarHBondContact O-N 3.23Å
95	R	85.3	Confident	91	Very high	34 Å²	34	58.8 Å²	58.8	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-45.3	174.4	-72.5	168.9	-173	-158.2	-5.6	111.4	F90 S91 D92 E93 N98 I99 G173	F90-R95 PolarHBondContact O-NE 2.74Å; F90-R95 PolarHBondContact O-NH2 3.24Å; S91-R95 WeakPolarHBondContact O-CB 3.27Å; S91-R95 VanDerWaalsContact O-CG 3.24Å; S91-R95 WeakPolarHBondContact O-CG 3.48Å; S91-R95 PolarHBondContact O-N 2.92Å; D92-R95 WeakPolarHBondContact O-CB 3.47Å; D92-R95 PolarHBondContact O-N 3.12Å; E93-R95 VanDerWaalsContact C-N 3.29Å; E93-R95 PolarHBondContact O-N 2.84Å; R95-N98 WeakPolarHBondContact O-CB 3.47Å; R95-N98 PolarHBondContact O-N 3.1Å; R95-I99 WeakPolarHBondContact O-CG1 3.48Å; R95-I99 PolarHBondContact O-N 3.02Å; R95-G173 VanDerWaalsContact CZ-O 3.29Å; R95-G173 PolarHBondContact NH1-O 3.31Å; R95-G173 PolarHBondContact NH2-O 3.13Å
96	E	89.6	Confident	91.2	Very high	84 Å²	84	58.8 Å²	58.8	39%	0.393	29%	0.287	S	S	.	.	H	α-helix	trans	-58.7	-50.1	175.2	179.8	172.3	-162.2	0	0	110.1	D92 E93 N98 I99 R100 K126	D92-E96 PolarHBondContact O-N 3.01Å; E93-E96 PolarHBondContact O-N 3.4Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 3.38Å; E96-I99 PolarHBondContact O-N 2.95Å; E96-R100 WeakPolarHBondContact O-CB 3.18Å; E96-R100 PolarHBondContact O-N 2.87Å; E96-K126 IonicContact OE1-NZ 3.78Å; E96-K126 PolarHBondContact OE1-NZ 3.42Å; E96-K126 IonicContact OE2-NZ 2.78Å
97	E	93.5	Very high	91.5	Very high	50 Å²	50	53.6 Å²	53.6	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-35.7	177.9	177.4	60.3	-171.6	0	0	112.4	L88 E93 R100 R101	L88-E97 HydrophobicContact CD1-CB 4.29Å; L88-E97 HydrophobicContact CD1-CG 3.95Å; L88-E97 HydrophobicContact CD2-CB 4.32Å; L88-E97 HydrophobicContact CD2-CG 3.87Å; E93-E97 WeakPolarHBondContact O-CB 3.47Å; E93-E97 PolarHBondContact O-N 2.87Å; E97-R100 PolarHBondContact O-N 3.33Å; E97-R100 IonicContact OE1-CZ 3.62Å; E97-R100 IonicContact OE1-NE 3.46Å; E97-R100 IonicContact OE1-NH2 2.69Å; E97-R100 PolarHBondContact OE1-NH2 2.97Å; E97-R100 IonicContact OE2-CZ 3.4Å; E97-R100 IonicContact OE2-NE 3.56Å; E97-R100 PolarHBondContact OE2-NE 3.32Å; E97-R100 IonicContact OE2-NH2 3.12Å; E97-R100 PolarHBondContact OE2-NH2 3.25Å; E97-R101 WeakPolarHBondContact O-CB 3.24Å; E97-R101 WeakPolarHBondContact O-CG 3.45Å; E97-R101 PolarHBondContact O-N 3.46Å; E97-R101 WeakPolarHBondContact OE1-CG 3.24Å; E97-R101 IonicContact OE1-CZ 2.76Å; E97-R101 IonicContact OE1-NE 2.55Å; E97-R101 PolarHBondContact OE1-NE 3.03Å; E97-R101 IonicContact OE1-NH2 3.26Å; E97-R101 PolarHBondContact OE1-NH2 2.85Å
98	N	92.5	Very high	91.7	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.032	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-48.1	175.1	171	88	0	0	0	110.8	N85 L88 D94 R95 E96 V102	N85-N98 PolarHBondContact ND2-O 2.89Å; N85-N98 PolarHBondContact ND2-OD1 3.19Å; L88-N98 HydrophobicContact CD1-CB 3.75Å; D94-N98 WeakPolarHBondContact O-CB 3.39Å; D94-N98 PolarHBondContact O-N 3.23Å; R95-N98 WeakPolarHBondContact O-CB 3.47Å; R95-N98 PolarHBondContact O-N 3.1Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 3.38Å; N98-V102 WeakPolarHBondContact O-CG2 3.24Å; N98-V102 PolarHBondContact O-N 3.36Å; N98-V102 VanDerWaalsContact O-N 3.17Å
99	I	94.2	Very high	92.1	Very high	7 Å²	7	56 Å²	56	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-41.4	178.7	-63.3	-56.8	0	0	0	111.2	W45 R95 E96 R101 V102 A103 F120 D127	W45-I99 HydrophobicContact CH2-CG2 3.94Å; W45-I99 HydrophobicContact CZ2-CD1 4.39Å; W45-I99 HydrophobicContact CZ2-CG2 3.73Å; R95-I99 WeakPolarHBondContact O-CG1 3.48Å; R95-I99 PolarHBondContact O-N 3.02Å; E96-I99 PolarHBondContact O-N 2.95Å; I99-R101 PolarHBondContact O-N 3.05Å; I99-V102 PolarHBondContact O-N 3.02Å; I99-A103 WeakPolarHBondContact O-CB 3.5Å; I99-A103 PolarHBondContact O-N 2.98Å; I99-F120 HydrophobicContact CD1-CB 4.13Å; I99-F120 HydrophobicContact CD1-CD1 4.33Å; I99-F120 HydrophobicContact CD1-CG 4.42Å; I99-D127 HydrophobicContact CB-CB 4.21Å; I99-D127 HydrophobicContact CG2-CB 3.77Å
100	R	96.2	Very high	92.7	Very high	110 Å²	110	54.7 Å²	54.7	42%	0.415	26%	0.26	S	S	.	.	H	α-helix	trans	-58.4	-45.4	176.7	-166.3	-160.5	65.4	71.2	3.3	112.2	E96 E97 A103 E104	E96-R100 WeakPolarHBondContact O-CB 3.18Å; E96-R100 PolarHBondContact O-N 2.87Å; E97-R100 PolarHBondContact O-N 3.33Å; E97-R100 IonicContact OE1-CZ 3.62Å; E97-R100 IonicContact OE1-NE 3.46Å; E97-R100 IonicContact OE1-NH2 2.69Å; E97-R100 PolarHBondContact OE1-NH2 2.97Å; E97-R100 IonicContact OE2-CZ 3.4Å; E97-R100 IonicContact OE2-NE 3.56Å; E97-R100 PolarHBondContact OE2-NE 3.32Å; E97-R100 IonicContact OE2-NH2 3.12Å; E97-R100 PolarHBondContact OE2-NH2 3.25Å; R100-A103 PolarHBondContact O-N 3.32Å; R100-E104 PolarHBondContact O-N 3.38Å; R100-E104 VanDerWaalsContact O-N 3.15Å
101	R	96.6	Very high	93.4	Very high	48 Å²	48	49 Å²	49	18%	0.181	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-42.8	176.6	-74.5	-178.7	-173.9	173.2	19.5	112.2	L84 N85 N87 E97 I99 A103 E104 V105	L84-R101 HydrophobicContact CD2-CB 4.32Å; L84-R101 PolarHBondContact O-NH1 3.06Å; N85-R101 WeakPolarHBondContact OD1-CD 3.4Å; N87-R101 PolarHBondContact OD1-NH1 3.41Å; E97-R101 WeakPolarHBondContact O-CB 3.24Å; E97-R101 WeakPolarHBondContact O-CG 3.45Å; E97-R101 PolarHBondContact O-N 3.46Å; E97-R101 WeakPolarHBondContact OE1-CG 3.24Å; E97-R101 IonicContact OE1-CZ 2.76Å; E97-R101 IonicContact OE1-NE 2.55Å; E97-R101 PolarHBondContact OE1-NE 3.03Å; E97-R101 IonicContact OE1-NH2 3.26Å; E97-R101 PolarHBondContact OE1-NH2 2.85Å; I99-R101 PolarHBondContact O-N 3.05Å; R101-A103 VanDerWaalsContact C-N 3.33Å; R101-E104 PolarHBondContact O-N 3.4Å; R101-V105 WeakPolarHBondContact O-CG2 3.31Å; R101-V105 PolarHBondContact O-N 3.29Å
102	V	96.3	Very high	94	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-42.9	177.6	170.4	0	0	0	0	110.7	W45 I80 N98 I99 E104 V105 A106 T118 F120	W45-V102 HydrophobicContact CH2-CB 4.3Å; W45-V102 HydrophobicContact CH2-CG1 3.76Å; W45-V102 HydrophobicContact CZ3-CG1 3.9Å; I80-V102 HydrophobicContact CG2-CG2 4.08Å; N98-V102 WeakPolarHBondContact O-CG2 3.24Å; N98-V102 PolarHBondContact O-N 3.36Å; N98-V102 VanDerWaalsContact O-N 3.17Å; I99-V102 PolarHBondContact O-N 3.02Å; V102-E104 PolarHBondContact O-N 3.37Å; V102-V105 PolarHBondContact O-N 2.79Å; V102-A106 VanDerWaalsContact O-CB 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.45Å; V102-A106 PolarHBondContact O-N 2.95Å; V102-T118 HydrophobicContact CG1-CG2 4.27Å; V102-F120 HydrophobicContact CB-CE2 4.31Å; V102-F120 HydrophobicContact CB-CZ 4.21Å; V102-F120 HydrophobicContact CG1-CD2 3.85Å; V102-F120 HydrophobicContact CG1-CE1 4.47Å; V102-F120 HydrophobicContact CG1-CE2 3.4Å; V102-F120 VanDerWaalsContact CG1-CE2 3.4Å; V102-F120 HydrophobicContact CG1-CZ 3.78Å; V102-F120 HydrophobicContact CG2-CD1 4.37Å; V102-F120 HydrophobicContact CG2-CE1 3.57Å; V102-F120 HydrophobicContact CG2-CE2 3.91Å; V102-F120 HydrophobicContact CG2-CZ 3.34Å
103	A	97.5	Very high	94.7	Very high	3 Å²	3	44 Å²	44	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-44.3	177.9	0	0	0	0	0	112.7	W45 I99 R100 R101 A106 K107 A131 H135	W45-A103 HydrophobicContact CH2-CB 4.31Å; W45-A103 HydrophobicContact CZ3-CB 4.27Å; I99-A103 WeakPolarHBondContact O-CB 3.5Å; I99-A103 PolarHBondContact O-N 2.98Å; R100-A103 PolarHBondContact O-N 3.32Å; R101-A103 VanDerWaalsContact C-N 3.33Å; A103-A106 PolarHBondContact O-N 2.76Å; A103-K107 WeakPolarHBondContact O-CB 3.33Å; A103-K107 PolarHBondContact O-N 3.14Å; A103-A131 HydrophobicContact CB-CB 3.56Å; A103-H135 PolarHBondContact O-CE1 3.25Å; A103-H135 VanDerWaalsContact O-CE1 3.28Å
104	E	97.7	Very high	95.2	Very high	70 Å²	70	39.5 Å²	39.5	33%	0.327	19%	0.192	S	C	.	.	H	α-helix	trans	-66.4	-39.8	177	-68.7	-67.5	-180	0	0	112.2	R100 R101 V102 K107 L108	R100-E104 PolarHBondContact O-N 3.38Å; R100-E104 VanDerWaalsContact O-N 3.15Å; R101-E104 PolarHBondContact O-N 3.4Å; V102-E104 PolarHBondContact O-N 3.37Å; E104-K107 WeakPolarHBondContact O-CB 3.15Å; E104-K107 PolarHBondContact O-N 3.04Å; E104-K107 IonicContact OE2-NZ 3.96Å; E104-L108 WeakPolarHBondContact O-CG 3.46Å; E104-L108 PolarHBondContact O-N 2.75Å
105	V	97.3	Very high	95.7	Very high	31 Å²	31	37.2 Å²	37.2	19%	0.188	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-44.3	176	174	0	0	0	0	111.2	L75 L84 R101 V102 K107 L108 F109	L75-V105 HydrophobicContact CD1-CB 4.37Å; L75-V105 HydrophobicContact CD1-CG1 3.86Å; L75-V105 HydrophobicContact CD2-CG1 4.38Å; L84-V105 HydrophobicContact CD2-CG2 3.49Å; L84-V105 VanDerWaalsContact CD2-CG2 3.49Å; R101-V105 WeakPolarHBondContact O-CG2 3.31Å; R101-V105 PolarHBondContact O-N 3.29Å; V102-V105 PolarHBondContact O-N 2.79Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.21Å; V105-L108 WeakPolarHBondContact O-CB 3.4Å; V105-L108 PolarHBondContact O-N 3.31Å; V105-F109 HydrophobicContact CG1-CD2 3.77Å; V105-F109 HydrophobicContact CG1-CE2 3.64Å; V105-F109 WeakPolarHBondContact O-CD2 3.18Å; V105-F109 PolarHBondContact O-N 2.97Å
106	A	97.9	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-41.6	177	0	0	0	0	0	111.2	T43 L75 V102 A103 L108 F109 A110 C116 T118	T43-A106 HydrophobicContact CG2-CB 3.85Å; T43-A106 PolarHBondContact OG1-O 3.3Å; L75-A106 HydrophobicContact CD1-CB 4.15Å; V102-A106 VanDerWaalsContact O-CB 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.45Å; V102-A106 PolarHBondContact O-N 2.95Å; A103-A106 PolarHBondContact O-N 2.76Å; A106-L108 VanDerWaalsContact C-N 3.33Å; A106-L108 PolarHBondContact O-N 2.69Å; A106-F109 PolarHBondContact O-N 3.14Å; A106-A110 WeakPolarHBondContact O-CB 3.43Å; A106-A110 PolarHBondContact O-N 2.72Å; A106-C116 HydrophobicContact CB-CB 4.49Å; A106-T118 HydrophobicContact CB-CG2 3.87Å
107	K	98.1	Very high	96.7	Very high	57 Å²	57	31.6 Å²	31.6	25%	0.248	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-40.3	172.5	168.1	178.7	167.1	-176	0	112.5	A103 E104 V105 A110 D111 V134 H135 A138 L140	A103-K107 WeakPolarHBondContact O-CB 3.33Å; A103-K107 PolarHBondContact O-N 3.14Å; E104-K107 WeakPolarHBondContact O-CB 3.15Å; E104-K107 PolarHBondContact O-N 3.04Å; E104-K107 IonicContact OE2-NZ 3.96Å; V105-K107 VanDerWaalsContact C-N 3.27Å; V105-K107 PolarHBondContact O-N 3.21Å; K107-A110 PolarHBondContact O-N 2.74Å; K107-D111 VanDerWaalsContact O-CB 3.3Å; K107-D111 WeakPolarHBondContact O-CB 3.48Å; K107-D111 PolarHBondContact O-N 2.84Å; K107-V134 HydrophobicContact CB-CG1 4.29Å; K107-V134 HydrophobicContact CD-CG1 3.41Å; K107-V134 VanDerWaalsContact CD-CG1 3.41Å; K107-V134 HydrophobicContact CG-CG1 4.48Å; K107-H135 WeakPolarHBondContact CA-NE2 3.34Å; K107-H135 PolarHBondContact N-NE2 3.12Å; K107-H135 VanDerWaalsContact N-NE2 3.16Å; K107-A138 HydrophobicContact CD-CB 4.35Å; K107-L140 HydrophobicContact CG-CD1 4.02Å
108	L	97.1	Very high	96.9	Very high	121 Å²	121	29.2 Å²	29.2	63%	0.634	14%	0.143	S	C	*	.	H	α-helix	trans	-65.5	-41.6	177.1	-68.9	172.7	0	0	0	111.9	E104 V105 A106 D111 A112	E104-L108 WeakPolarHBondContact O-CG 3.46Å; E104-L108 PolarHBondContact O-N 2.75Å; V105-L108 WeakPolarHBondContact O-CB 3.4Å; V105-L108 PolarHBondContact O-N 3.31Å; A106-L108 VanDerWaalsContact C-N 3.33Å; A106-L108 PolarHBondContact O-N 2.69Å; L108-D111 PolarHBondContact O-N 2.74Å; L108-A112 WeakPolarHBondContact O-CB 3.22Å; L108-A112 PolarHBondContact O-N 2.93Å
109	F	97.7	Very high	97	Very high	57 Å²	57	29.1 Å²	29.1	25%	0.25	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-44.9	174.7	-83.3	-76.9	0	0	0	112.2	Y73 L75 V105 A106 A112 G113 L114 C116	Y73-F109 AromaticContact CD1-CE1 3.91Å; Y73-F109 HydrophobicContact CD1-CE1 3.91Å; Y73-F109 HydrophobicContact CD1-CE2 4.13Å; Y73-F109 AromaticContact CD1-CZ 3.67Å; Y73-F109 HydrophobicContact CD1-CZ 3.67Å; Y73-F109 HydrophobicContact CE1-CE2 4.48Å; Y73-F109 AromaticContact CE1-CZ 3.98Å; Y73-F109 HydrophobicContact CE1-CZ 3.98Å; Y73-F109 AromaticContact CG-CE1 3.97Å; Y73-F109 HydrophobicContact CG-CE1 3.97Å; Y73-F109 HydrophobicContact CG-CZ 4.2Å; L75-F109 HydrophobicContact CD2-CD2 4.44Å; L75-F109 HydrophobicContact CD2-CE2 4.02Å; V105-F109 HydrophobicContact CG1-CD2 3.77Å; V105-F109 HydrophobicContact CG1-CE2 3.64Å; V105-F109 WeakPolarHBondContact O-CD2 3.18Å; V105-F109 PolarHBondContact O-N 2.97Å; A106-F109 PolarHBondContact O-N 3.14Å; F109-A112 WeakPolarHBondContact O-CB 3.5Å; F109-A112 PolarHBondContact O-N 3.17Å; F109-G113 PolarHBondContact O-N 3.02Å; F109-L114 HydrophobicContact CD1-CD2 4.15Å; F109-L114 PolarHBondContact O-N 3.5Å; F109-L114 VanDerWaalsContact O-N 3.12Å; F109-C116 HydrophobicContact CB-CB 3.79Å
110	A	97.8	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-45.6	174.5	0	0	0	0	0	110.8	F39 G41 A106 K107 A112 G113 L140	F39-A110 WeakPolarHBondContact CZ-O 3.32Å; G41-A110 WeakPolarHBondContact CA-O 3.47Å; A106-A110 WeakPolarHBondContact O-CB 3.43Å; A106-A110 PolarHBondContact O-N 2.72Å; K107-A110 PolarHBondContact O-N 2.74Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.93Å; A110-G113 PolarHBondContact O-N 2.86Å; A110-L140 HydrophobicContact CB-CD1 4.06Å; A110-L140 HydrophobicContact CB-CD2 4.37Å
111	D	96.4	Very high	96.8	Very high	23 Å²	23	26.2 Å²	26.2	12%	0.123	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-38.8	176.1	-170.4	73	0	0	0	111.3	H22 R26 R29 F39 K107 L108 G113 L140	H22-D111 IonicContact NE2-OD2 2.71Å; R26-D111 IonicContact CZ-OD1 3.5Å; R26-D111 IonicContact NE-OD1 3.66Å; R26-D111 PolarHBondContact NE-OD1 3.48Å; R26-D111 IonicContact NH2-OD1 3.47Å; R26-D111 PolarHBondContact NH2-OD1 3.37Å; R29-D111 VanDerWaalsContact CZ-O 3.23Å; R29-D111 IonicContact CZ-OD2 3.38Å; R29-D111 PolarHBondContact NH1-O 2.84Å; R29-D111 PolarHBondContact NH2-O 2.83Å; R29-D111 IonicContact NH2-OD1 3.09Å; R29-D111 IonicContact NH2-OD2 3.52Å; R29-D111 PolarHBondContact NH2-OD2 3.15Å; F39-D111 WeakPolarHBondContact CE2-O 3.31Å; K107-D111 VanDerWaalsContact O-CB 3.3Å; K107-D111 WeakPolarHBondContact O-CB 3.48Å; K107-D111 PolarHBondContact O-N 2.84Å; L108-D111 PolarHBondContact O-N 2.74Å; D111-G113 PolarHBondContact O-N 3.44Å; D111-L140 HydrophobicContact CB-CD1 4.03Å
112	A	95.8	Very high	96.6	Very high	41 Å²	41	24 Å²	24	34%	0.339	13%	0.127	S	C	.	.	H	α-helix	trans	-64.2	-16.5	176.8	0	0	0	0	0	113.7	R29 L108 F109 A110 L114	R29-A112 PolarHBondContact NH1-O 3.08Å; L108-A112 WeakPolarHBondContact O-CB 3.22Å; L108-A112 PolarHBondContact O-N 2.93Å; F109-A112 WeakPolarHBondContact O-CB 3.5Å; F109-A112 PolarHBondContact O-N 3.17Å; A110-A112 VanDerWaalsContact C-N 3.26Å; A110-A112 PolarHBondContact O-N 2.93Å; A112-L114 HydrophobicContact CB-CD1 4.11Å
113	G	95.6	Very high	96.3	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.5	6.3	176.9	0	0	0	0	0	114.7	F109 A110 D111	F109-G113 PolarHBondContact O-N 3.02Å; A110-G113 PolarHBondContact O-N 2.86Å; D111-G113 PolarHBondContact O-N 3.44Å
114	L	97.8	Very high	96.1	Very high	37 Å²	37	26.7 Å²	26.7	19%	0.194	14%	0.139	C	C	.	.			trans	-89.5	154.9	178.3	-75	77	0	0	0	111.1	V33 G41 C42 P71 F109 A112 C116	V33-L114 HydrophobicContact CG1-CD1 4.3Å; G41-L114 WeakPolarHBondContact CA-O 3.39Å; C42-L114 PolarHBondContact N-O 3.39Å; P71-L114 HydrophobicContact CB-CG 4.23Å; F109-L114 HydrophobicContact CD1-CD2 4.15Å; F109-L114 PolarHBondContact O-N 3.5Å; F109-L114 VanDerWaalsContact O-N 3.12Å; A112-L114 HydrophobicContact CB-CD1 4.11Å; L114-C116 PolarHBondContact O-N 3.39Å
115	V	98.3	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	105.2	162.6	-179.9	0	0	0	0	108.2	I44 L65 I70 P71 C72 Y73 I117 I214	I44-V115 HydrophobicContact CD1-CG1 3.55Å; I44-V115 HydrophobicContact CG1-CG1 4.13Å; L65-V115 HydrophobicContact CD1-CB 3.97Å; L65-V115 HydrophobicContact CD1-CG1 3.66Å; L65-V115 HydrophobicContact CD1-CG2 4.37Å; I70-V115 HydrophobicContact CG2-CG2 3.87Å; P71-V115 PolarHBondContact O-N 2.74Å; P71-V115 VanDerWaalsContact O-N 3.1Å; C72-V115 CarbonylContact C-O 3.48Å; C72-V115 WeakPolarHBondContact CA-O 3.45Å; C72-V115 HydrophobicContact CB-CB 3.89Å; C72-V115 WeakPolarHBondContact CB-O 2.85Å; Y73-V115 PolarHBondContact N-O 3.35Å; V115-I117 HydrophobicContact CG1-CG1 4.35Å; V115-I214 HydrophobicContact CG2-CG2 3.8Å
116	C	98.3	Very high	95.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.3	175.4	-170.1	0	0	0	0	109.8	C42 T43 I44 Y73 L75 A106 F109 L114	C42-C116 PolarHBondContact O-N 3.2Å; T43-C116 CarbonylContact C-O 3.57Å; T43-C116 WeakPolarHBondContact CA-O 3.46Å; I44-C116 PolarHBondContact N-O 2.66Å; Y73-C116 WeakPolarHBondContact O-CA 3.34Å; L75-C116 VanDerWaalsContact CD1-SG 3.56Å; A106-C116 HydrophobicContact CB-CB 4.49Å; F109-C116 HydrophobicContact CB-CB 3.79Å; L114-C116 PolarHBondContact O-N 3.39Å
117	I	98.4	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.4	177.4	-48.3	167.1	0	0	0	107.3	I44 L46 S58 L61 E62 L65 Y73 S74 L75 V115	I44-I117 HydrophobicContact CB-CG2 4.5Å; I44-I117 HydrophobicContact CD1-CG1 4.46Å; L46-I117 HydrophobicContact CD1-CG2 4.08Å; L46-I117 HydrophobicContact CG-CG2 4.27Å; S58-I117 WeakPolarHBondContact OG-CG2 3.37Å; L61-I117 HydrophobicContact CB-CD1 4.2Å; L61-I117 HydrophobicContact CD2-CD1 3.92Å; L61-I117 HydrophobicContact CD2-CG1 4.27Å; L61-I117 HydrophobicContact CG-CD1 3.9Å; E62-I117 HydrophobicContact CB-CD1 4.13Å; L65-I117 HydrophobicContact CD1-CD1 4.3Å; Y73-I117 PolarHBondContact O-N 3.14Å; S74-I117 CarbonylContact C-O 3.25Å; S74-I117 WeakPolarHBondContact CA-O 3.47Å; L75-I117 PolarHBondContact N-O 3.43Å; V115-I117 HydrophobicContact CG1-CG1 4.35Å
118	T	97.4	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.6	179.2	73.4	0	0	0	0	110.5	T43 I44 W45 L46 L75 V102 A106	T43-T118 HydrophobicContact CG2-CG2 4.07Å; I44-T118 PolarHBondContact O-N 3.13Å; W45-T118 WeakPolarHBondContact CA-OG1 3.41Å; W45-T118 VanDerWaalsContact CD2-OG1 3.27Å; W45-T118 HydrophobicContact CE3-CG2 3.87Å; W45-T118 HydrophobicContact CZ3-CG2 4.04Å; L46-T118 WeakPolarHBondContact CA-O 3.41Å; L46-T118 WeakPolarHBondContact CB-O 3.43Å; L46-T118 WeakPolarHBondContact CG-O 3.22Å; L46-T118 PolarHBondContact N-O 3.23Å; L75-T118 HydrophobicContact CB-CG2 4.36Å; L75-T118 HydrophobicContact CD1-CG2 4.27Å; L75-T118 CarbonylContact O-C 3.54Å; L75-T118 WeakPolarHBondContact O-CA 3.39Å; V102-T118 HydrophobicContact CG1-CG2 4.27Å; A106-T118 HydrophobicContact CB-CG2 3.87Å
119	S	95.5	Very high	95.7	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	85.1	-179.7	171.6	0	0	0	0	110.4	K54 T55 L75 D76 G77	K54-S119 WeakPolarHBondContact CB-OG 3.39Å; T55-S119 PolarHBondContact N-OG 3.36Å; T55-S119 PolarHBondContact OG1-OG 2.92Å; L75-S119 PolarHBondContact O-N 2.92Å; D76-S119 WeakPolarHBondContact OD2-CB 3.46Å; D76-S119 PolarHBondContact OD2-OG 3.33Å; G77-S119 PolarHBondContact N-O 3.41Å
120	F	93.7	Very high	95.6	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.039	14%	0.141	C	C	.	.			trans	-133.1	151.5	-177.4	-69.6	-97.2	0	0	0	111.6	L46 K54 L75 I80 I99 V102 S122	L46-F120 PolarHBondContact O-N 3.06Å; K54-F120 WeakPolarHBondContact CD-O 3.14Å; K54-F120 WeakPolarHBondContact CE-O 3.34Å; L75-F120 HydrophobicContact CB-CE2 4.12Å; L75-F120 WeakPolarHBondContact O-CE2 3.39Å; I80-F120 HydrophobicContact CB-CZ 4.17Å; I80-F120 HydrophobicContact CG1-CZ 4.14Å; I99-F120 HydrophobicContact CD1-CB 4.13Å; I99-F120 HydrophobicContact CD1-CD1 4.33Å; I99-F120 HydrophobicContact CD1-CG 4.42Å; V102-F120 HydrophobicContact CB-CE2 4.31Å; V102-F120 HydrophobicContact CB-CZ 4.21Å; V102-F120 HydrophobicContact CG1-CD2 3.85Å; V102-F120 HydrophobicContact CG1-CE1 4.47Å; V102-F120 HydrophobicContact CG1-CE2 3.4Å; V102-F120 VanDerWaalsContact CG1-CE2 3.4Å; V102-F120 HydrophobicContact CG1-CZ 3.78Å; V102-F120 HydrophobicContact CG2-CD1 4.37Å; V102-F120 HydrophobicContact CG2-CE1 3.57Å; V102-F120 HydrophobicContact CG2-CE2 3.91Å; V102-F120 HydrophobicContact CG2-CZ 3.34Å; F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.19Å; F120-S122 PolarHBondContact O-OG 2.96Å
121	I	92.1	Very high	95.6	Very high	48 Å²	48	27.3 Å²	27.3	25%	0.246	14%	0.142	C	C	.	.			trans	-60.7	-45.2	174.4	-62.1	176.2	0	0	0	110	T47 G48 P123 T175 Y181	T47-I121 PolarHBondContact OG1-O 3.39Å; G48-I121 PolarHBondContact N-O 2.84Å; G48-I121 WeakPolarHBondContact O-CA 3.49Å; I121-P123 HydrophobicContact CG2-CB 4.21Å; I121-P123 HydrophobicContact CG2-CG 4.49Å; I121-T175 HydrophobicContact CG2-CG2 3.79Å; I121-Y181 HydrophobicContact CG2-CD2 4.33Å
122	S	91.8	Very high	95.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	14%	0.142	C	C	.	.			trans	40.7	61.5	178.9	55.7	0	0	0	0	113	W45 T47 F120 F124 R128	W45-S122 PolarHBondContact NE1-OG 3.19Å; W45-S122 VanDerWaalsContact NE1-OG 3.11Å; T47-S122 WeakPolarHBondContact CB-OG 3.16Å; T47-S122 PolarHBondContact OG1-O 2.88Å; T47-S122 PolarHBondContact OG1-OG 3.19Å; F120-S122 VanDerWaalsContact C-N 3.31Å; F120-S122 PolarHBondContact O-N 3.19Å; F120-S122 PolarHBondContact O-OG 2.96Å; S122-F124 PolarHBondContact O-N 3.44Å; S122-R128 WeakPolarHBondContact O-CD 3.25Å; S122-R128 PolarHBondContact O-NH1 2.96Å
123	P	90.9	Very high	95.8	Very high	11 Å²	11	31.2 Å²	31.2	7%	0.071	15%	0.149	C	C	.	.			trans	-71	-26.6	-163.7	28.4	-35.1	0	0	0	114.5	I121 R128 T175 Y181 E182	I121-P123 HydrophobicContact CG2-CB 4.21Å; I121-P123 HydrophobicContact CG2-CG 4.49Å; P123-R128 PolarHBondContact O-NH1 3.25Å; P123-R128 VanDerWaalsContact O-NH1 3.14Å; P123-T175 HydrophobicContact CB-CG2 3.8Å; P123-Y181 HydrophobicContact CB-CD2 4Å; P123-E182 WeakPolarHBondContact O-CB 3.42Å; P123-E182 PolarHBondContact O-N 3.49Å
124	F	92.9	Very high	95.8	Very high	47 Å²	47	32 Å²	32	21%	0.206	15%	0.154	C	C	.	.			trans	-96.7	134.2	-173.7	-54.3	-58.3	0	0	0	111.7	S122 K126 D127 R128	S122-F124 PolarHBondContact O-N 3.44Å; F124-K126 VanDerWaalsContact C-N 3.3Å; F124-K126 PolarHBondContact O-N 3.13Å; F124-D127 PolarHBondContact O-N 3.23Å; F124-R128 PolarHBondContact O-N 3.08Å
125	T	95.3	Very high	95.8	Very high	28 Å²	28	30.3 Å²	30.3	17%	0.172	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-39.5	179.4	-54.5	0	0	0	0	111.1	D127 R128 N129 E182	T125-D127 VanDerWaalsContact C-N 3.31Å; T125-D127 PolarHBondContact O-N 3.36Å; T125-R128 PolarHBondContact O-N 2.63Å; T125-R128 PolarHBondContact OG1-NH2 3.24Å; T125-N129 WeakPolarHBondContact O-CB 3.29Å; T125-N129 VanDerWaalsContact O-CG 3.22Å; T125-N129 PolarHBondContact O-N 3.24Å; T125-E182 WeakPolarHBondContact CB-OE2 3.28Å; T125-E182 PolarHBondContact N-OE2 3.34Å; T125-E182 VanDerWaalsContact OG1-CB 3.26Å; T125-E182 WeakPolarHBondContact OG1-CB 3.48Å; T125-E182 PolarHBondContact OG1-OE2 2.86Å
126	K	95.7	Very high	95.8	Very high	133 Å²	133	35.5 Å²	35.5	58%	0.578	17%	0.169	S	C	*	.	H	α-helix	trans	-53.7	-47.5	175.9	-176.3	-165.3	174.2	-150.7	0	111.7	E96 F124 N129 E130	E96-K126 IonicContact OE1-NZ 3.78Å; E96-K126 PolarHBondContact OE1-NZ 3.42Å; E96-K126 IonicContact OE2-NZ 2.78Å; F124-K126 VanDerWaalsContact C-N 3.3Å; F124-K126 PolarHBondContact O-N 3.13Å; K126-N129 PolarHBondContact O-N 2.79Å; K126-E130 PolarHBondContact O-N 2.83Å
127	D	94.7	Very high	95.6	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-40.1	-175.6	-60.6	-17.8	0	0	0	111.7	I99 F124 T125 E130 A131	I99-D127 HydrophobicContact CB-CB 4.21Å; I99-D127 HydrophobicContact CG2-CB 3.77Å; F124-D127 PolarHBondContact O-N 3.23Å; T125-D127 VanDerWaalsContact C-N 3.31Å; T125-D127 PolarHBondContact O-N 3.36Å; D127-E130 PolarHBondContact O-N 3.25Å; D127-A131 PolarHBondContact O-N 3.12Å
128	R	96.7	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-40.2	176.2	-61.5	-168.4	-54	-91.8	-2.2	111.6	S122 P123 F124 T125 A131 R132 E144 E182	S122-R128 WeakPolarHBondContact O-CD 3.25Å; S122-R128 PolarHBondContact O-NH1 2.96Å; P123-R128 PolarHBondContact O-NH1 3.25Å; P123-R128 VanDerWaalsContact O-NH1 3.14Å; F124-R128 PolarHBondContact O-N 3.08Å; T125-R128 PolarHBondContact O-N 2.63Å; T125-R128 PolarHBondContact OG1-NH2 3.24Å; R128-A131 WeakPolarHBondContact O-CB 3.39Å; R128-A131 PolarHBondContact O-N 2.95Å; R128-R132 PolarHBondContact O-N 3.44Å; R128-E144 WeakPolarHBondContact CD-OE1 3.4Å; R128-E144 IonicContact CZ-OE1 3.51Å; R128-E144 IonicContact NE-OE1 3.51Å; R128-E144 PolarHBondContact NE-OE1 3.5Å; R128-E182 VanDerWaalsContact CZ-O 3.32Å; R128-E182 PolarHBondContact NH1-O 3.24Å; R128-E182 PolarHBondContact NH2-O 2.86Å
129	N	96.9	Very high	95.3	Very high	81 Å²	81	44.2 Å²	44.2	43%	0.433	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-39.1	175.8	-74.2	-11.3	0	0	0	112.2	T125 K126 R132 K133	T125-N129 WeakPolarHBondContact O-CB 3.29Å; T125-N129 VanDerWaalsContact O-CG 3.22Å; T125-N129 PolarHBondContact O-N 3.24Å; K126-N129 PolarHBondContact O-N 2.79Å; N129-R132 PolarHBondContact O-N 3.14Å; N129-K133 VanDerWaalsContact O-CB 3.31Å; N129-K133 WeakPolarHBondContact O-CB 3.47Å; N129-K133 PolarHBondContact O-N 2.95Å
130	E	96	Very high	95.4	Very high	93 Å²	93	44.4 Å²	44.4	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-66.9	-41	174.4	-170.1	60.6	-154	0	0	111	K126 D127 R132 K133 V134	K126-E130 PolarHBondContact O-N 2.83Å; D127-E130 PolarHBondContact O-N 3.25Å; E130-R132 VanDerWaalsContact C-N 3.34Å; E130-R132 PolarHBondContact O-N 3.33Å; E130-K133 PolarHBondContact O-N 3.27Å; E130-V134 WeakPolarHBondContact O-CB 3.38Å; E130-V134 VanDerWaalsContact O-CG2 3.29Å; E130-V134 WeakPolarHBondContact O-CG2 3.44Å; E130-V134 PolarHBondContact O-N 3.44Å
131	A	97.4	Very high	95.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-45.5	173.8	0	0	0	0	0	112	W45 A103 D127 R128 V134 H135 F142	W45-A131 HydrophobicContact CE3-CB 4.42Å; W45-A131 HydrophobicContact CH2-CB 4.07Å; W45-A131 HydrophobicContact CZ2-CB 4.36Å; W45-A131 HydrophobicContact CZ3-CB 4.11Å; A103-A131 HydrophobicContact CB-CB 3.56Å; D127-A131 PolarHBondContact O-N 3.12Å; R128-A131 WeakPolarHBondContact O-CB 3.39Å; R128-A131 PolarHBondContact O-N 2.95Å; A131-V134 PolarHBondContact O-N 2.97Å; A131-H135 PolarHBondContact O-N 3.04Å; A131-H135 PolarHBondContact O-ND1 3.32Å; A131-F142 HydrophobicContact CB-CE2 4.03Å; A131-F142 HydrophobicContact CB-CZ 4.11Å
132	R	98.1	Very high	95.9	Very high	32 Å²	32	46.3 Å²	46.3	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-57.6	-52.4	174.1	178.9	-178.5	-66.3	-83.6	5.2	111.5	R128 N129 E130 V134 H135 E136 F142 E144 E188	R128-R132 PolarHBondContact O-N 3.44Å; N129-R132 PolarHBondContact O-N 3.14Å; E130-R132 VanDerWaalsContact C-N 3.34Å; E130-R132 PolarHBondContact O-N 3.33Å; R132-V134 VanDerWaalsContact C-N 3.29Å; R132-V134 PolarHBondContact O-N 2.94Å; R132-H135 PolarHBondContact O-N 2.77Å; R132-E136 WeakPolarHBondContact CD-OE1 3.38Å; R132-E136 HydrophobicContact CG-CG 4.22Å; R132-E136 WeakPolarHBondContact CG-OE1 3.47Å; R132-E136 IonicContact NH1-OE1 3.92Å; R132-E136 PolarHBondContact O-N 3.31Å; R132-F142 HydrophobicContact CB-CD1 3.64Å; R132-F142 HydrophobicContact CB-CE1 3.68Å; R132-F142 HydrophobicContact CB-CG 4.18Å; R132-F142 HydrophobicContact CB-CZ 4.27Å; R132-F142 HydrophobicContact CG-CD1 3.78Å; R132-F142 HydrophobicContact CG-CE1 4.26Å; R132-F142 HydrophobicContact CG-CG 4.33Å; R132-E144 IonicContact CZ-OE2 3.51Å; R132-E144 IonicContact NH2-OE2 3.35Å; R132-E144 PolarHBondContact NH2-OE2 2.87Å; R132-E188 IonicContact CZ-OE1 2.74Å; R132-E188 IonicContact CZ-OE2 4Å; R132-E188 IonicContact NH1-OE1 3.58Å; R132-E188 PolarHBondContact NH1-OE1 3.24Å; R132-E188 IonicContact NH1-OE2 3.45Å; R132-E188 PolarHBondContact NH1-OE2 2.89Å; R132-E188 IonicContact NH2-OE1 3.58Å; R132-E188 PolarHBondContact NH2-OE1 3.31Å; R132-E188 IonicContact NH2-OE2 3.19Å; R132-E188 PolarHBondContact NH2-OE2 2.81Å
133	K	97.6	Very high	96.2	Very high	115 Å²	115	46.4 Å²	46.4	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-40	-179.3	-175.9	-177.6	178.9	-174.1	0	112.7	N129 E130 H135 S137	N129-K133 VanDerWaalsContact O-CB 3.31Å; N129-K133 WeakPolarHBondContact O-CB 3.47Å; N129-K133 PolarHBondContact O-N 2.95Å; E130-K133 PolarHBondContact O-N 3.27Å; K133-H135 VanDerWaalsContact C-N 3.27Å; K133-H135 PolarHBondContact O-N 3.1Å; K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 3.1Å; K133-S137 PolarHBondContact O-OG 2.64Å
134	V	97.1	Very high	96.5	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.115	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-35.7	177.8	163.6	0	0	0	0	111.9	K107 E130 A131 R132	K107-V134 HydrophobicContact CB-CG1 4.29Å; K107-V134 HydrophobicContact CD-CG1 3.41Å; K107-V134 VanDerWaalsContact CD-CG1 3.41Å; K107-V134 HydrophobicContact CG-CG1 4.48Å; E130-V134 WeakPolarHBondContact O-CB 3.38Å; E130-V134 VanDerWaalsContact O-CG2 3.29Å; E130-V134 WeakPolarHBondContact O-CG2 3.44Å; E130-V134 PolarHBondContact O-N 3.44Å; A131-V134 PolarHBondContact O-N 2.97Å; R132-V134 VanDerWaalsContact C-N 3.29Å; R132-V134 PolarHBondContact O-N 2.94Å
135	H	98.3	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-79.6	-48.2	177.3	-70.2	75.1	0	0	0	112.3	T43 A103 K107 A131 R132 K133 S137 A138 G139 L140 F142	T43-H135 WeakPolarHBondContact CB-NE2 3.27Å; T43-H135 PolarHBondContact OG1-CD2 3.16Å; T43-H135 PolarHBondContact OG1-NE2 2.87Å; A103-H135 PolarHBondContact O-CE1 3.25Å; A103-H135 VanDerWaalsContact O-CE1 3.28Å; K107-H135 WeakPolarHBondContact CA-NE2 3.34Å; K107-H135 PolarHBondContact N-NE2 3.12Å; K107-H135 VanDerWaalsContact N-NE2 3.16Å; A131-H135 PolarHBondContact O-N 3.04Å; A131-H135 PolarHBondContact O-ND1 3.32Å; R132-H135 PolarHBondContact O-N 2.77Å; K133-H135 VanDerWaalsContact C-N 3.27Å; K133-H135 PolarHBondContact O-N 3.1Å; H135-S137 VanDerWaalsContact C-N 3.32Å; H135-S137 PolarHBondContact O-N 3.17Å; H135-A138 CarbonylContact O-C 3.38Å; H135-A138 WeakPolarHBondContact O-CA 3.43Å; H135-A138 WeakPolarHBondContact O-CB 3.27Å; H135-A138 PolarHBondContact O-N 3.37Å; H135-G139 PolarHBondContact O-N 3.46Å; H135-L140 CarbonylContact C-O 3.6Å; H135-L140 HydrophobicContact CB-CB 4.33Å; H135-L140 PolarHBondContact O-N 3.41Å; H135-F142 HydrophobicContact CB-CB 3.91Å; H135-F142 HydrophobicContact CB-CD2 4.23Å; H135-F142 HydrophobicContact CB-CG 4.48Å; H135-F142 AromaticContact CE1-CD2 3.97Å; H135-F142 AromaticContact CG-CD2 3.79Å; H135-F142 AromaticContact ND1-CD2 3.6Å
136	E	96.5	Very high	96.9	Very high	109 Å²	109	43.3 Å²	43.3	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-41.8	-179.7	-72	176	175.3	0	0	111.6	R132 A138 G139	R132-E136 WeakPolarHBondContact CD-OE1 3.38Å; R132-E136 HydrophobicContact CG-CG 4.22Å; R132-E136 WeakPolarHBondContact CG-OE1 3.47Å; R132-E136 IonicContact NH1-OE1 3.92Å; R132-E136 PolarHBondContact O-N 3.31Å; E136-A138 PolarHBondContact O-N 3.07Å; E136-A138 VanDerWaalsContact O-N 3.14Å; E136-G139 PolarHBondContact O-N 3.44Å
137	S	95.5	Very high	97	Very high	100 Å²	100	37 Å²	37	70%	0.699	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.4	175.7	-57.4	0	0	0	0	112.7	K133 H135	K133-S137 WeakPolarHBondContact O-CB 3.47Å; K133-S137 PolarHBondContact O-N 3.1Å; K133-S137 PolarHBondContact O-OG 2.64Å; H135-S137 VanDerWaalsContact C-N 3.32Å; H135-S137 PolarHBondContact O-N 3.17Å
138	A	93.8	Very high	97.1	Very high	25 Å²	25	38.4 Å²	38.4	21%	0.207	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	3.8	174.5	0	0	0	0	0	112.7	R26 K107 H135 E136 L140	R26-A138 PolarHBondContact NH1-O 3.03Å; R26-A138 PolarHBondContact NH2-O 3.12Å; K107-A138 HydrophobicContact CD-CB 4.35Å; H135-A138 CarbonylContact O-C 3.38Å; H135-A138 WeakPolarHBondContact O-CA 3.43Å; H135-A138 WeakPolarHBondContact O-CB 3.27Å; H135-A138 PolarHBondContact O-N 3.37Å; E136-A138 PolarHBondContact O-N 3.07Å; E136-A138 VanDerWaalsContact O-N 3.14Å; A138-L140 VanDerWaalsContact C-N 3.31Å; A138-L140 HydrophobicContact CB-CD1 4.15Å; A138-L140 HydrophobicContact CB-CG 4.41Å; A138-L140 PolarHBondContact O-N 3.16Å
139	G	95.4	Very high	96.9	Very high	59 Å²	59	38.6 Å²	38.6	61%	0.608	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	34.1	-176.2	0	0	0	0	0	113.2	R26 H135 E136	R26-G139 PolarHBondContact NH1-O 3.08Å; R26-G139 VanDerWaalsContact NH1-O 3.16Å; H135-G139 PolarHBondContact O-N 3.46Å; E136-G139 PolarHBondContact O-N 3.44Å
140	L	96.9	Very high	96.7	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.042	21%	0.208	C	C	.	.			trans	-109.8	144.4	176	-67.6	166.6	0	0	0	109.8	F39 K107 A110 D111 H135 A138	F39-L140 HydrophobicContact CE1-CD2 3.97Å; F39-L140 HydrophobicContact CZ-CD2 3.78Å; K107-L140 HydrophobicContact CG-CD1 4.02Å; A110-L140 HydrophobicContact CB-CD1 4.06Å; A110-L140 HydrophobicContact CB-CD2 4.37Å; D111-L140 HydrophobicContact CB-CD1 4.03Å; H135-L140 CarbonylContact C-O 3.6Å; H135-L140 HydrophobicContact CB-CB 4.33Å; H135-L140 PolarHBondContact O-N 3.41Å; A138-L140 VanDerWaalsContact C-N 3.31Å; A138-L140 HydrophobicContact CB-CD1 4.15Å; A138-L140 HydrophobicContact CB-CG 4.41Å; A138-L140 PolarHBondContact O-N 3.16Å
141	K	97.6	Very high	96.4	Very high	88 Å²	88	34.8 Å²	34.8	38%	0.383	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.5	176.9	-67.6	179.3	178.4	172	0	110.4	C42 T43 Q212 I214	C42-K141 WeakPolarHBondContact CA-O 3.28Å; C42-K141 HydrophobicContact CB-CB 3.85Å; T43-K141 PolarHBondContact N-O 3.01Å; K141-Q212 PolarHBondContact NZ-O 3.24Å; K141-I214 HydrophobicContact CD-CD1 4.19Å; K141-I214 HydrophobicContact CD-CG1 4.25Å
142	F	98.3	Very high	96.1	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.039	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.2	174.5	-177.1	-88.6	0	0	0	108.2	T43 W45 A131 R132 H135 E144	T43-F142 HydrophobicContact CG2-CD2 4.08Å; T43-F142 HydrophobicContact CG2-CE2 4.16Å; W45-F142 HydrophobicContact CB-CE1 4.05Å; W45-F142 HydrophobicContact CB-CE2 3.79Å; W45-F142 HydrophobicContact CB-CZ 3.44Å; W45-F142 VanDerWaalsContact CB-CZ 3.44Å; W45-F142 AromaticContact CD2-CE2 3.94Å; W45-F142 HydrophobicContact CD2-CE2 3.94Å; W45-F142 AromaticContact CD2-CZ 3.79Å; W45-F142 HydrophobicContact CD2-CZ 3.79Å; W45-F142 AromaticContact CE3-CE2 3.68Å; W45-F142 HydrophobicContact CE3-CE2 3.68Å; W45-F142 HydrophobicContact CE3-CZ 4.04Å; W45-F142 HydrophobicContact CG-CE1 4.43Å; W45-F142 HydrophobicContact CG-CE2 4.01Å; W45-F142 AromaticContact CG-CZ 3.54Å; W45-F142 HydrophobicContact CG-CZ 3.54Å; A131-F142 HydrophobicContact CB-CE2 4.03Å; A131-F142 HydrophobicContact CB-CZ 4.11Å; R132-F142 HydrophobicContact CB-CD1 3.64Å; R132-F142 HydrophobicContact CB-CE1 3.68Å; R132-F142 HydrophobicContact CB-CG 4.18Å; R132-F142 HydrophobicContact CB-CZ 4.27Å; R132-F142 HydrophobicContact CG-CD1 3.78Å; R132-F142 HydrophobicContact CG-CE1 4.26Å; R132-F142 HydrophobicContact CG-CG 4.33Å; H135-F142 HydrophobicContact CB-CB 3.91Å; H135-F142 HydrophobicContact CB-CD2 4.23Å; H135-F142 HydrophobicContact CB-CG 4.48Å; H135-F142 AromaticContact CE1-CD2 3.97Å; H135-F142 AromaticContact CG-CD2 3.79Å; H135-F142 AromaticContact ND1-CD2 3.6Å; F142-E144 HydrophobicContact CE1-CB 4.02Å
143	L	98.3	Very high	95.8	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	103.3	-176.8	-55.1	177.6	0	0	0	108.5	T43 I44 W45 E188 L208 L209 Q212 I214	T43-L143 PolarHBondContact O-N 3.28Å; I44-L143 HydrophobicContact CG1-CD1 4.42Å; W45-L143 PolarHBondContact N-O 2.7Å; L143-E188 HydrophobicContact CD2-CB 4.47Å; L143-E188 HydrophobicContact CD2-CG 3.94Å; L143-L208 HydrophobicContact CB-CD2 4.34Å; L143-L208 HydrophobicContact CD1-CD2 4.16Å; L143-L208 HydrophobicContact CD1-CG 4.35Å; L143-L209 HydrophobicContact CD1-CD2 3.5Å; L143-Q212 HydrophobicContact CD1-CG 4.48Å; L143-Q212 HydrophobicContact CD2-CG 3.98Å; L143-I214 HydrophobicContact CD1-CD1 3.65Å
144	E	98.5	Very high	95.5	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.1	174.9	-172.1	175.9	-163.1	0	0	110	T47 R128 R132 F142 P187 E188 L189	T47-E144 HydrophobicContact CG2-CG 4.26Å; R128-E144 WeakPolarHBondContact CD-OE1 3.4Å; R128-E144 IonicContact CZ-OE1 3.51Å; R128-E144 IonicContact NE-OE1 3.51Å; R128-E144 PolarHBondContact NE-OE1 3.5Å; R132-E144 IonicContact CZ-OE2 3.51Å; R132-E144 IonicContact NH2-OE2 3.35Å; R132-E144 PolarHBondContact NH2-OE2 2.87Å; F142-E144 HydrophobicContact CE1-CB 4.02Å; E144-P187 HydrophobicContact CG-CB 4.42Å; E144-P187 WeakPolarHBondContact O-CB 3.28Å; E144-E188 WeakPolarHBondContact CA-OE2 3.39Å; E144-E188 WeakPolarHBondContact CB-OE2 3.18Å; E144-E188 PolarHBondContact N-OE2 3Å; E144-E188 PolarHBondContact O-N 3.36Å; E144-L189 PolarHBondContact O-N 3.5Å
145	V	98.4	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.4	-179.4	-174.5	0	0	0	0	108.7	I44 W45 L46 T47 I147 L189 L191 L205 L208	I44-V145 HydrophobicContact CG2-CG2 3.95Å; W45-V145 PolarHBondContact O-N 2.59Å; L46-V145 WeakPolarHBondContact CA-O 3.43Å; L46-V145 HydrophobicContact CD2-CB 3.75Å; L46-V145 HydrophobicContact CD2-CG1 4.13Å; L46-V145 HydrophobicContact CD2-CG2 4.2Å; T47-V145 PolarHBondContact N-O 3.13Å; V145-I147 HydrophobicContact CG1-CD1 3.86Å; V145-I147 PolarHBondContact O-N 3.24Å; V145-L189 CarbonylContact C-O 3.43Å; V145-L189 WeakPolarHBondContact CA-O 3.48Å; V145-L189 HydrophobicContact CG1-CB 4.22Å; V145-L189 HydrophobicContact CG1-CD2 4.26Å; V145-L189 HydrophobicContact CG1-CG 4.36Å; V145-L189 HydrophobicContact CG2-CB 4.45Å; V145-L191 HydrophobicContact CG1-CD1 3.74Å; V145-L191 HydrophobicContact CG1-CG 4Å; V145-L205 HydrophobicContact CB-CD2 4.47Å; V145-L205 HydrophobicContact CG1-CD2 4.01Å; V145-L205 HydrophobicContact CG2-CD2 3.81Å; V145-L208 HydrophobicContact CG2-CD2 4.49Å
146	F	98.3	Very high	95	Very high	15 Å²	15	42.4 Å²	42.4	7%	0.066	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.7	178.9	-179.9	-150	0	0	0	110.8	T47 H148 Y181 R183 P184 P187 L189 V190 L191	T47-F146 HydrophobicContact CG2-CD2 4.44Å; F146-H148 HydrophobicContact CD1-CB 4.07Å; F146-H148 HydrophobicContact CE1-CB 3.72Å; F146-H148 AromaticContact CE1-CD2 3.83Å; F146-H148 AromaticContact CE1-CG 3.9Å; F146-H148 HydrophobicContact CE2-CB 4.24Å; F146-H148 HydrophobicContact CG-CB 4.47Å; F146-H148 HydrophobicContact CZ-CB 3.81Å; F146-H148 AromaticContact CZ-CD2 3.6Å; F146-H148 AromaticContact CZ-CG 3.98Å; F146-H148 PolarHBondContact O-N 3.29Å; F146-Y181 HydrophobicContact CD2-CE1 4.34Å; F146-Y181 WeakPolarHBondContact CD2-OH 3.49Å; F146-Y181 AromaticContact CE2-CE1 3.51Å; F146-Y181 HydrophobicContact CE2-CE1 3.51Å; F146-Y181 AromaticContact CE2-CZ 3.83Å; F146-Y181 WeakPolarHBondContact CE2-OH 3.33Å; F146-Y181 AromaticContact CZ-CE1 3.98Å; F146-Y181 HydrophobicContact CZ-CE1 3.98Å; F146-R183 HydrophobicContact CE1-CB 4.35Å; F146-R183 HydrophobicContact CE1-CG 4.32Å; F146-R183 HydrophobicContact CZ-CB 4.39Å; F146-R183 HydrophobicContact CZ-CG 4.02Å; F146-P184 HydrophobicContact CB-CG 4.03Å; F146-P184 HydrophobicContact CD2-CG 4.29Å; F146-P184 HydrophobicContact CG-CG 4.08Å; F146-P187 HydrophobicContact CB-CB 4.11Å; F146-P187 HydrophobicContact CB-CG 4.16Å; F146-L189 PolarHBondContact N-O 3.1Å; F146-V190 HydrophobicContact CB-CG2 4.33Å; F146-V190 HydrophobicContact CD1-CG1 3.94Å; F146-V190 HydrophobicContact CD1-CG2 4.31Å; F146-V190 WeakPolarHBondContact O-CA 3.32Å; F146-L191 PolarHBondContact O-N 2.96Å
147	I	97.6	Very high	94.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	94.9	173.5	-48.6	-49.6	0	0	0	108.5	L46 T47 A52 K54 L57 V145 L191 T193	L46-I147 HydrophobicContact CB-CG1 4.28Å; L46-I147 HydrophobicContact CD2-CD1 4.39Å; T47-I147 PolarHBondContact O-N 3.21Å; A52-I147 HydrophobicContact CB-CB 4.5Å; A52-I147 HydrophobicContact CB-CG2 3.94Å; A52-I147 WeakPolarHBondContact O-CG2 3.49Å; K54-I147 HydrophobicContact CG-CB 4.06Å; K54-I147 HydrophobicContact CG-CG1 3.74Å; L57-I147 HydrophobicContact CD1-CD1 3.67Å; L57-I147 HydrophobicContact CD1-CG1 4.42Å; L57-I147 HydrophobicContact CD1-CG2 4.29Å; V145-I147 HydrophobicContact CG1-CD1 3.86Å; V145-I147 PolarHBondContact O-N 3.24Å; I147-L191 HydrophobicContact CD1-CB 3.99Å; I147-L191 HydrophobicContact CD1-CD1 3.65Å; I147-L191 HydrophobicContact CD1-CG 4.28Å; I147-T193 HydrophobicContact CG2-CG2 3.66Å
148	H	95.9	Very high	94.4	Very high	42 Å²	42	38.7 Å²	38.7	19%	0.194	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	109	-174.2	-179.5	-126.9	0	0	0	111.3	F146 V190 L191 K192 T193	F146-H148 HydrophobicContact CD1-CB 4.07Å; F146-H148 HydrophobicContact CE1-CB 3.72Å; F146-H148 AromaticContact CE1-CD2 3.83Å; F146-H148 AromaticContact CE1-CG 3.9Å; F146-H148 HydrophobicContact CE2-CB 4.24Å; F146-H148 HydrophobicContact CG-CB 4.47Å; F146-H148 HydrophobicContact CZ-CB 3.81Å; F146-H148 AromaticContact CZ-CD2 3.6Å; F146-H148 AromaticContact CZ-CG 3.98Å; F146-H148 PolarHBondContact O-N 3.29Å; H148-V190 HydrophobicContact CB-CG1 4.01Å; H148-L191 PolarHBondContact N-O 2.57Å; H148-K192 CarbonylContact O-C 3.51Å; H148-K192 WeakPolarHBondContact O-CA 3.36Å; H148-T193 PolarHBondContact O-N 2.71Å
149	A	93.4	Very high	94	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	24%	0.239	C	C	.	.			trans	-126.7	140.6	162.9	0	0	0	0	0	108.9	A52 V153 T193	A52-A149 HydrophobicContact CB-CB 4.12Å; A149-V153 HydrophobicContact CB-CG1 4.49Å; A149-T193 WeakPolarHBondContact CB-O 3.12Å; A149-T193 WeakPolarHBondContact CB-OG1 3.38Å
150	P	91.6	Very high	93.5	Very high	53 Å²	53	44.9 Å²	44.9	34%	0.344	23%	0.232	S	C	.	.			trans	-54.1	150.8	170.2	-24.2	33.7	0	0	0	111.7	E152 V153 C154	P150-E152 WeakPolarHBondContact CB-OE2 3.46Å; P150-E152 PolarHBondContact O-N 3.02Å; P150-V153 HydrophobicContact CB-CB 4.49Å; P150-V153 HydrophobicContact CB-CG2 4.14Å; P150-V153 HydrophobicContact CG-CG2 4.15Å; P150-V153 WeakPolarHBondContact O-CB 3.37Å; P150-V153 PolarHBondContact O-N 3.4Å; P150-V153 VanDerWaalsContact O-N 3.13Å; P150-C154 PolarHBondContact O-N 2.79Å; P150-C154 PolarHBondContact O-SG 3.37Å
151	L	90.6	Very high	93.1	Very high	41 Å²	41	45.8 Å²	45.8	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-39.8	-178.9	176.3	63.7	0	0	0	110.9	L49 V153 C154 E155 Y163 G176 I177	L49-L151 HydrophobicContact CD1-CB 4.24Å; L49-L151 HydrophobicContact CD1-CD1 4.16Å; L151-V153 VanDerWaalsContact C-N 3.27Å; L151-V153 PolarHBondContact O-N 2.91Å; L151-C154 CarbonylContact O-C 3.53Å; L151-C154 WeakPolarHBondContact O-CA 3.15Å; L151-C154 WeakPolarHBondContact O-CB 3.27Å; L151-C154 PolarHBondContact O-N 3.27Å; L151-C154 VanDerWaalsContact O-N 3.09Å; L151-E155 HydrophobicContact CD1-CG 4.28Å; L151-E155 HydrophobicContact CG-CG 4.38Å; L151-E155 WeakPolarHBondContact O-CB 3.45Å; L151-E155 PolarHBondContact O-N 2.76Å; L151-Y163 HydrophobicContact CD1-CE1 3.65Å; L151-G176 WeakPolarHBondContact CD2-O 3.25Å; L151-I177 HydrophobicContact CD1-CD1 4.43Å; L151-I177 HydrophobicContact CD2-CD1 4.49Å
152	E	90.4	Very high	92.7	Very high	135 Å²	135	43.8 Å²	43.8	63%	0.631	24%	0.236	S	C	*	.	H	α-helix	trans	-62.7	-36	179.6	-57.2	75	-163.9	0	0	111.5	P150 S156	P150-E152 WeakPolarHBondContact CB-OE2 3.46Å; P150-E152 PolarHBondContact O-N 3.02Å; E152-S156 WeakPolarHBondContact O-CB 3.12Å; E152-S156 PolarHBondContact O-N 2.86Å; E152-S156 PolarHBondContact O-OG 3.45Å
153	V	91.4	Very high	92.3	Very high	44 Å²	44	43.6 Å²	43.6	27%	0.267	24%	0.235	S	C	.	.	H	α-helix	trans	-71.2	-40.3	174.8	176.5	0	0	0	0	110.4	A149 P150 L151 S156 R157	A149-V153 HydrophobicContact CB-CG1 4.49Å; P150-V153 HydrophobicContact CB-CB 4.49Å; P150-V153 HydrophobicContact CB-CG2 4.14Å; P150-V153 HydrophobicContact CG-CG2 4.15Å; P150-V153 WeakPolarHBondContact O-CB 3.37Å; P150-V153 PolarHBondContact O-N 3.4Å; P150-V153 VanDerWaalsContact O-N 3.13Å; L151-V153 VanDerWaalsContact C-N 3.27Å; L151-V153 PolarHBondContact O-N 2.91Å; V153-S156 PolarHBondContact O-OG 2.91Å; V153-R157 VanDerWaalsContact O-CG 3.28Å; V153-R157 WeakPolarHBondContact O-CG 3.47Å; V153-R157 PolarHBondContact O-N 3.47Å
154	C	92.8	Very high	91.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-43	175.3	-62.5	0	0	0	0	112	S50 P150 L151 R157 D158 Y163	S50-C154 VanDerWaalsContact O-CB 3.29Å; S50-C154 WeakPolarHBondContact O-CB 3.26Å; P150-C154 PolarHBondContact O-N 2.79Å; P150-C154 PolarHBondContact O-SG 3.37Å; L151-C154 CarbonylContact O-C 3.53Å; L151-C154 WeakPolarHBondContact O-CA 3.15Å; L151-C154 WeakPolarHBondContact O-CB 3.27Å; L151-C154 PolarHBondContact O-N 3.27Å; L151-C154 VanDerWaalsContact O-N 3.09Å; C154-R157 PolarHBondContact O-N 3.21Å; C154-D158 PolarHBondContact O-N 2.97Å; C154-Y163 HydrophobicContact CB-CE2 3.95Å; C154-Y163 WeakPolarHBondContact CB-OH 3.39Å
155	E	92	Very high	91.5	Very high	51 Å²	51	55.6 Å²	55.6	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-41.5	176.6	-79.9	-168.7	-145.9	0	0	112.2	L151 R157 D158 Y163 R167 I177	L151-E155 HydrophobicContact CD1-CG 4.28Å; L151-E155 HydrophobicContact CG-CG 4.38Å; L151-E155 WeakPolarHBondContact O-CB 3.45Å; L151-E155 PolarHBondContact O-N 2.76Å; E155-R157 VanDerWaalsContact C-N 3.27Å; E155-R157 PolarHBondContact O-N 2.92Å; E155-D158 WeakPolarHBondContact O-CB 3.22Å; E155-D158 PolarHBondContact O-N 3.12Å; E155-Y163 HydrophobicContact CB-CD1 4.46Å; E155-Y163 HydrophobicContact CB-CG 4.41Å; E155-Y163 HydrophobicContact CG-CD1 3.33Å; E155-Y163 HydrophobicContact CG-CD2 4.4Å; E155-Y163 HydrophobicContact CG-CE1 3.74Å; E155-Y163 HydrophobicContact CG-CG 3.69Å; E155-R167 IonicContact OE1-CZ 2.8Å; E155-R167 IonicContact OE1-NE 3.73Å; E155-R167 IonicContact OE1-NH2 3.41Å; E155-R167 PolarHBondContact OE1-NH2 3.16Å; E155-R167 IonicContact OE2-CZ 2.96Å; E155-R167 IonicContact OE2-NE 3.38Å; E155-R167 PolarHBondContact OE2-NE 3.06Å; E155-R167 IonicContact OE2-NH2 3.36Å; E155-I177 WeakPolarHBondContact OE1-CD1 3.37Å
156	S	91.8	Very high	91.1	Very high	97 Å²	97	55.8 Å²	55.8	68%	0.678	29%	0.288	S	S	*	.	H	α-helix	trans	-66.6	-30.8	178.9	65.8	0	0	0	0	112.8	E152 V153	E152-S156 WeakPolarHBondContact O-CB 3.12Å; E152-S156 PolarHBondContact O-N 2.86Å; E152-S156 PolarHBondContact O-OG 3.45Å; V153-S156 PolarHBondContact O-OG 2.91Å
157	R	90.6	Very high	90.7	Very high	94 Å²	94	62.2 Å²	62.2	36%	0.355	31%	0.312	S	S	.	.	H	α-helix	trans	-71.9	-37.3	175	-70.3	169.4	-178	168.3	4.3	112.8	G51 A52 V153 C154 E155 V159	G51-R157 WeakPolarHBondContact O-CD 3.3Å; G51-R157 PolarHBondContact O-NH1 2.92Å; G51-R157 VanDerWaalsContact O-NH1 3.09Å; A52-R157 PolarHBondContact O-NH1 2.97Å; V153-R157 VanDerWaalsContact O-CG 3.28Å; V153-R157 WeakPolarHBondContact O-CG 3.47Å; V153-R157 PolarHBondContact O-N 3.47Å; C154-R157 PolarHBondContact O-N 3.21Å; E155-R157 VanDerWaalsContact C-N 3.27Å; E155-R157 PolarHBondContact O-N 2.92Å; R157-V159 HydrophobicContact CB-CG2 4.04Å; R157-V159 WeakPolarHBondContact O-CA 3.15Å; R157-V159 PolarHBondContact O-N 3.46Å
158	D	89.1	Confident	90.3	Very high	36 Å²	36	65.4 Å²	65.4	19%	0.193	34%	0.338	C	S	.	.			trans	20.5	54	-172.7	-159.3	10.8	0	0	0	115.6	C154 E155 K160 G161 L162 Y163 K164	C154-D158 PolarHBondContact O-N 2.97Å; E155-D158 WeakPolarHBondContact O-CB 3.22Å; E155-D158 PolarHBondContact O-N 3.12Å; D158-K160 PolarHBondContact O-N 3.34Å; D158-G161 VanDerWaalsContact CG-CA 3.4Å; D158-G161 PolarHBondContact O-N 3.42Å; D158-G161 VanDerWaalsContact OD1-CA 3.26Å; D158-G161 WeakPolarHBondContact OD1-CA 3.2Å; D158-G161 PolarHBondContact OD1-N 2.88Å; D158-G161 VanDerWaalsContact OD2-CA 3.26Å; D158-G161 WeakPolarHBondContact OD2-CA 3.35Å; D158-L162 PolarHBondContact OD1-N 3.02Å; D158-Y163 PolarHBondContact OD1-N 3.34Å; D158-K164 WeakPolarHBondContact OD2-CB 3.44Å; D158-K164 PolarHBondContact OD2-N 3.34Å
159	V	84.3	Confident	89.8	Confident	113 Å²	113	65.6 Å²	65.6	69%	0.685	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.1	-165.1	-178.1	0	0	0	0	113	R157	R157-V159 HydrophobicContact CB-CG2 4.04Å; R157-V159 WeakPolarHBondContact O-CA 3.15Å; R157-V159 PolarHBondContact O-N 3.46Å
160	K	85.1	Confident	89.6	Confident	102 Å²	102	72 Å²	72	44%	0.443	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	5.5	-177.5	-63.7	-177.3	-175.7	179.4	0	113.3	D78 D158 L162	D78-K160 VanDerWaalsContact CG-NZ 3.29Å; D78-K160 IonicContact OD1-NZ 2.74Å; D78-K160 PolarHBondContact OD1-NZ 3.44Å; D78-K160 IonicContact OD2-NZ 3.8Å; D78-K160 PolarHBondContact OD2-NZ 3.19Å; D158-K160 PolarHBondContact O-N 3.34Å; K160-L162 HydrophobicContact CB-CD1 3.89Å; K160-L162 HydrophobicContact CB-CG 3.73Å; K160-L162 HydrophobicContact CD-CD1 4.12Å; K160-L162 PolarHBondContact O-N 2.81Å
161	G	88.6	Confident	89.2	Confident	26 Å²	26	71.9 Å²	71.9	27%	0.268	38%	0.377	S	S	.	.	S	Bend	trans	65.8	20.1	-175.2	0	0	0	0	0	114	D158 K165	D158-G161 VanDerWaalsContact CG-CA 3.4Å; D158-G161 PolarHBondContact O-N 3.42Å; D158-G161 VanDerWaalsContact OD1-CA 3.26Å; D158-G161 WeakPolarHBondContact OD1-CA 3.2Å; D158-G161 PolarHBondContact OD1-N 2.88Å; D158-G161 VanDerWaalsContact OD2-CA 3.26Å; D158-G161 WeakPolarHBondContact OD2-CA 3.35Å; G161-K165 VanDerWaalsContact O-CG 3.3Å; G161-K165 WeakPolarHBondContact O-CG 3.27Å; G161-K165 PolarHBondContact O-N 3.26Å
162	L	89.2	Confident	88.7	Confident	47 Å²	47	78.5 Å²	78.5	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-81.3	-35.7	-173.9	-64.5	175.6	0	0	0	111.7	D158 K160 K165 A166 I171 F174	D158-L162 PolarHBondContact OD1-N 3.02Å; K160-L162 HydrophobicContact CB-CD1 3.89Å; K160-L162 HydrophobicContact CB-CG 3.73Å; K160-L162 HydrophobicContact CD-CD1 4.12Å; K160-L162 PolarHBondContact O-N 2.81Å; L162-K165 PolarHBondContact O-N 2.9Å; L162-A166 WeakPolarHBondContact O-CB 3.39Å; L162-A166 PolarHBondContact O-N 3.24Å; L162-I171 HydrophobicContact CD2-CD1 3.82Å; L162-F174 HydrophobicContact CB-CE2 3.91Å; L162-F174 HydrophobicContact CB-CZ 3.77Å; L162-F174 HydrophobicContact CD1-CE2 4.21Å; L162-F174 HydrophobicContact CD1-CZ 4.4Å
163	Y	90.6	Very high	88.1	Confident	5 Å²	5	73 Å²	73	2%	0.02	38%	0.383	C	S	.	.	H	α-helix	trans	-67.1	-43.3	178.3	-78.6	-77.1	0	0	0	111	S50 L151 C154 E155 D158 K165 A166 R167 F174 I177	S50-Y163 WeakPolarHBondContact O-CE2 3.47Å; S50-Y163 PolarHBondContact O-OH 3.46Å; L151-Y163 HydrophobicContact CD1-CE1 3.65Å; C154-Y163 HydrophobicContact CB-CE2 3.95Å; C154-Y163 WeakPolarHBondContact CB-OH 3.39Å; E155-Y163 HydrophobicContact CB-CD1 4.46Å; E155-Y163 HydrophobicContact CB-CG 4.41Å; E155-Y163 HydrophobicContact CG-CD1 3.33Å; E155-Y163 HydrophobicContact CG-CD2 4.4Å; E155-Y163 HydrophobicContact CG-CE1 3.74Å; E155-Y163 HydrophobicContact CG-CG 3.69Å; D158-Y163 PolarHBondContact OD1-N 3.34Å; Y163-K165 VanDerWaalsContact C-N 3.32Å; Y163-K165 PolarHBondContact O-N 3.07Å; Y163-A166 PolarHBondContact O-N 3.37Å; Y163-R167 WeakPolarHBondContact O-CB 3.45Å; Y163-R167 WeakPolarHBondContact O-CG 3.46Å; Y163-R167 PolarHBondContact O-N 2.68Å; Y163-F174 HydrophobicContact CD1-CD1 4.28Å; Y163-F174 AromaticContact CD1-CE1 3.71Å; Y163-F174 HydrophobicContact CD1-CE1 3.71Å; Y163-F174 HydrophobicContact CD2-CE1 4.39Å; Y163-F174 HydrophobicContact CE1-CD1 4.21Å; Y163-F174 AromaticContact CE1-CE1 3.55Å; Y163-F174 HydrophobicContact CE1-CE1 3.55Å; Y163-F174 HydrophobicContact CE2-CE1 4.23Å; Y163-F174 HydrophobicContact CG-CE1 4.15Å; Y163-F174 AromaticContact CZ-CE1 3.82Å; Y163-I177 HydrophobicContact CD1-CD1 4.04Å; Y163-I177 HydrophobicContact CD1-CG1 4.14Å; Y163-I177 HydrophobicContact CE1-CD1 4.28Å; Y163-I177 HydrophobicContact CE1-CG1 4.31Å
164	K	90.6	Very high	87.8	Confident	164 Å²	164	71.9 Å²	71.9	71%	0.713	38%	0.375	S	S	*	.	H	α-helix	trans	-57.4	-43.9	174	-173	177.8	-179.1	179.9	0	112.4	D158 A168	D158-K164 WeakPolarHBondContact OD2-CB 3.44Å; D158-K164 PolarHBondContact OD2-N 3.34Å; K164-A168 WeakPolarHBondContact O-CB 3.34Å; K164-A168 PolarHBondContact O-N 3.37Å
165	K	89.4	Confident	87.4	Confident	97 Å²	97	72.4 Å²	72.4	42%	0.422	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-39	178	-72.1	178.4	179.4	-179.6	0	112.7	G161 L162 Y163 A168 G169 E170 I171	G161-K165 VanDerWaalsContact O-CG 3.3Å; G161-K165 WeakPolarHBondContact O-CG 3.27Å; G161-K165 PolarHBondContact O-N 3.26Å; L162-K165 PolarHBondContact O-N 2.9Å; Y163-K165 VanDerWaalsContact C-N 3.32Å; Y163-K165 PolarHBondContact O-N 3.07Å; K165-A168 PolarHBondContact O-N 2.96Å; K165-G169 PolarHBondContact O-N 2.83Å; K165-E170 HydrophobicContact CB-CB 4.29Å; K165-E170 WeakPolarHBondContact O-CB 3.48Å; K165-E170 PolarHBondContact O-N 3.46Å; K165-I171 HydrophobicContact CB-CD1 3.67Å; K165-I171 HydrophobicContact CB-CG1 3.96Å; K165-I171 HydrophobicContact CD-CD1 4.18Å
166	A	89.2	Confident	86.9	Confident	4 Å²	4	71 Å²	71	3%	0.033	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-47.2	174.8	0	0	0	0	0	111.3	L162 Y163 A168 G169 I171 F174 I177	L162-A166 WeakPolarHBondContact O-CB 3.39Å; L162-A166 PolarHBondContact O-N 3.24Å; Y163-A166 PolarHBondContact O-N 3.37Å; A166-A168 PolarHBondContact O-N 3.45Å; A166-G169 PolarHBondContact O-N 3Å; A166-I171 HydrophobicContact CB-CB 4.43Å; A166-F174 HydrophobicContact CB-CB 3.82Å; A166-F174 HydrophobicContact CB-CD1 4Å; A166-F174 HydrophobicContact CB-CG 3.95Å; A166-I177 HydrophobicContact CB-CG1 4.38Å
167	R	90	Very high	86.6	Confident	150 Å²	150	68.2 Å²	68.2	57%	0.566	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-29.8	175.7	-69.3	-68.8	-170.9	-168.3	-3.8	113.1	E155 Y163 G169	E155-R167 IonicContact OE1-CZ 2.8Å; E155-R167 IonicContact OE1-NE 3.73Å; E155-R167 IonicContact OE1-NH2 3.41Å; E155-R167 PolarHBondContact OE1-NH2 3.16Å; E155-R167 IonicContact OE2-CZ 2.96Å; E155-R167 IonicContact OE2-NE 3.38Å; E155-R167 PolarHBondContact OE2-NE 3.06Å; E155-R167 IonicContact OE2-NH2 3.36Å; Y163-R167 WeakPolarHBondContact O-CB 3.45Å; Y163-R167 WeakPolarHBondContact O-CG 3.46Å; Y163-R167 PolarHBondContact O-N 2.68Å; R167-G169 VanDerWaalsContact C-N 3.26Å; R167-G169 PolarHBondContact O-N 3.15Å
168	A	89.9	Confident	86.2	Confident	67 Å²	67	68.4 Å²	68.4	55%	0.554	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.5	173.3	0	0	0	0	0	114	K164 K165 A166 E170	K164-A168 WeakPolarHBondContact O-CB 3.34Å; K164-A168 PolarHBondContact O-N 3.37Å; K165-A168 PolarHBondContact O-N 2.96Å; A166-A168 PolarHBondContact O-N 3.45Å; A168-E170 VanDerWaalsContact C-N 3.28Å; A168-E170 HydrophobicContact CB-CG 4.22Å; A168-E170 PolarHBondContact O-N 3.12Å
169	G	86	Confident	85.9	Confident	46 Å²	46	68 Å²	68	47%	0.474	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	8.2	-178.4	0	0	0	0	0	114.8	K165 A166 R167	K165-G169 PolarHBondContact O-N 2.83Å; A166-G169 PolarHBondContact O-N 3Å; R167-G169 VanDerWaalsContact C-N 3.26Å; R167-G169 PolarHBondContact O-N 3.15Å
170	E	87.8	Confident	86.1	Confident	141 Å²	141	69.9 Å²	69.9	66%	0.659	36%	0.364	S	S	*	.	S	Bend	trans	-75.4	-28	178.5	-62.9	177	-158.5	0	0	112.1	K165 A168	K165-E170 HydrophobicContact CB-CB 4.29Å; K165-E170 WeakPolarHBondContact O-CB 3.48Å; K165-E170 PolarHBondContact O-N 3.46Å; A168-E170 VanDerWaalsContact C-N 3.28Å; A168-E170 HydrophobicContact CB-CG 4.22Å; A168-E170 PolarHBondContact O-N 3.12Å
171	I	83.1	Confident	86.4	Confident	50 Å²	50	66.7 Å²	66.7	26%	0.256	35%	0.349	S	S	.	.	S	Bend	trans	-118.2	116.1	175.6	-58.8	175	0	0	0	108	L162 K165 A166 F174	L162-I171 HydrophobicContact CD2-CD1 3.82Å; K165-I171 HydrophobicContact CB-CD1 3.67Å; K165-I171 HydrophobicContact CB-CG1 3.96Å; K165-I171 HydrophobicContact CD-CD1 4.18Å; A166-I171 HydrophobicContact CB-CB 4.43Å; I171-F174 HydrophobicContact CG2-CB 4.26Å; I171-F174 HydrophobicContact CG2-CD2 4.08Å
172	K	80.4	Confident	86.7	Confident	180 Å²	180	69 Å²	69	78%	0.783	35%	0.353	S	S	*	.			trans	-94.3	149.6	176.6	-63.7	-173.9	178.8	-176	0	111.5	F174	K172-F174 VanDerWaalsContact C-N 3.33Å
173	G	77.6	Confident	86.9	Confident	19 Å²	19	74.6 Å²	74.6	20%	0.196	37%	0.371	C	S	.	.	S	Bend	trans	70.3	29.9	175.9	0	0	0	0	0	112.9	R95 T175 S179	R95-G173 VanDerWaalsContact CZ-O 3.29Å; R95-G173 PolarHBondContact NH1-O 3.31Å; R95-G173 PolarHBondContact NH2-O 3.13Å; G173-T175 PolarHBondContact O-N 3.19Å; G173-S179 VanDerWaalsContact CA-OG 3.23Å; G173-S179 WeakPolarHBondContact CA-OG 3.47Å; G173-S179 PolarHBondContact O-OG 3.43Å; G173-S179 VanDerWaalsContact O-OG 3.06Å
174	F	85.2	Confident	87.2	Confident	21 Å²	21	75 Å²	75	9%	0.092	37%	0.374	C	S	.	.			trans	-76.6	124	179.9	-165.8	-105.1	0	0	0	110.4	L162 Y163 A166 I171 K172 G176 I177 D178 S179	L162-F174 HydrophobicContact CB-CE2 3.91Å; L162-F174 HydrophobicContact CB-CZ 3.77Å; L162-F174 HydrophobicContact CD1-CE2 4.21Å; L162-F174 HydrophobicContact CD1-CZ 4.4Å; Y163-F174 HydrophobicContact CD1-CD1 4.28Å; Y163-F174 AromaticContact CD1-CE1 3.71Å; Y163-F174 HydrophobicContact CD1-CE1 3.71Å; Y163-F174 HydrophobicContact CD2-CE1 4.39Å; Y163-F174 HydrophobicContact CE1-CD1 4.21Å; Y163-F174 AromaticContact CE1-CE1 3.55Å; Y163-F174 HydrophobicContact CE1-CE1 3.55Å; Y163-F174 HydrophobicContact CE2-CE1 4.23Å; Y163-F174 HydrophobicContact CG-CE1 4.15Å; Y163-F174 AromaticContact CZ-CE1 3.82Å; A166-F174 HydrophobicContact CB-CB 3.82Å; A166-F174 HydrophobicContact CB-CD1 4Å; A166-F174 HydrophobicContact CB-CG 3.95Å; I171-F174 HydrophobicContact CG2-CB 4.26Å; I171-F174 HydrophobicContact CG2-CD2 4.08Å; K172-F174 VanDerWaalsContact C-N 3.33Å; F174-G176 PolarHBondContact O-N 3.47Å; F174-I177 HydrophobicContact CD1-CG1 3.89Å; F174-I177 PolarHBondContact O-N 3.26Å; F174-D178 PolarHBondContact O-N 3.17Å; F174-S179 PolarHBondContact O-N 2.73Å
175	T	84	Confident	87.3	Confident	10 Å²	10	75.7 Å²	75.7	6%	0.061	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-57.8	127	180	-58	0	0	0	0	111.7	L49 I121 P123 G173 S179 Y181	L49-T175 HydrophobicContact CD2-CG2 4.16Å; I121-T175 HydrophobicContact CG2-CG2 3.79Å; P123-T175 HydrophobicContact CB-CG2 3.8Å; G173-T175 PolarHBondContact O-N 3.19Å; T175-S179 CarbonylContact C-O 3.36Å; T175-S179 WeakPolarHBondContact CA-O 3.45Å; T175-Y181 HydrophobicContact CG2-CD2 3.99Å; T175-Y181 HydrophobicContact CG2-CG 4.36Å
176	G	81.5	Confident	87.6	Confident	23 Å²	23	75.6 Å²	75.6	24%	0.237	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-10.2	-175.2	0	0	0	0	0	114.5	L151 F174 S179	L151-G176 WeakPolarHBondContact CD2-O 3.25Å; F174-G176 PolarHBondContact O-N 3.47Å; G176-S179 PolarHBondContact N-O 2.71Å
177	I	86.3	Confident	88	Confident	38 Å²	38	76.8 Å²	76.8	20%	0.195	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-68	176.4	-53	-67.4	0	0	0	110.2	L151 E155 Y163 A166 F174	L151-I177 HydrophobicContact CD1-CD1 4.43Å; L151-I177 HydrophobicContact CD2-CD1 4.49Å; E155-I177 WeakPolarHBondContact OE1-CD1 3.37Å; Y163-I177 HydrophobicContact CD1-CD1 4.04Å; Y163-I177 HydrophobicContact CD1-CG1 4.14Å; Y163-I177 HydrophobicContact CE1-CD1 4.28Å; Y163-I177 HydrophobicContact CE1-CG1 4.31Å; A166-I177 HydrophobicContact CB-CG1 4.38Å; F174-I177 HydrophobicContact CD1-CG1 3.89Å; F174-I177 PolarHBondContact O-N 3.26Å
178	D	82.3	Confident	88.4	Confident	97 Å²	97	73 Å²	73	52%	0.519	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-4.8	-176.9	-51.1	-50	0	0	0	112.8	F174	F174-D178 PolarHBondContact O-N 3.17Å
179	S	83.5	Confident	88.8	Confident	27 Å²	27	71.2 Å²	71.2	19%	0.189	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-134.5	143.9	175.2	-59.5	0	0	0	0	109.9	G173 F174 T175 G176	G173-S179 VanDerWaalsContact CA-OG 3.23Å; G173-S179 WeakPolarHBondContact CA-OG 3.47Å; G173-S179 PolarHBondContact O-OG 3.43Å; G173-S179 VanDerWaalsContact O-OG 3.06Å; F174-S179 PolarHBondContact O-N 2.73Å; T175-S179 CarbonylContact C-O 3.36Å; T175-S179 WeakPolarHBondContact CA-O 3.45Å; G176-S179 PolarHBondContact N-O 2.71Å
180	E	87.4	Confident	89.3	Confident	154 Å²	154	71.9 Å²	71.9	72%	0.72	36%	0.364	S	S	*	.			trans	-74.8	155.2	-176.5	-64.7	-168.4	165.8	0	0	112.8
181	Y	91.9	Very high	89.8	Confident	35 Å²	35	65.2 Å²	65.2	14%	0.137	33%	0.332	C	S	.	.			trans	-116.6	115.3	167.1	179.6	-92.3	0	0	0	108	T47 G48 L49 I121 P123 F146 T175 R183	T47-Y181 PolarHBondContact OG1-OH 3.47Å; G48-Y181 WeakPolarHBondContact CA-OH 3.46Å; G48-Y181 PolarHBondContact N-OH 3.09Å; G48-Y181 VanDerWaalsContact N-OH 3.16Å; L49-Y181 HydrophobicContact CD2-CD1 4.47Å; L49-Y181 HydrophobicContact CD2-CD2 4.18Å; L49-Y181 HydrophobicContact CD2-CG 3.85Å; I121-Y181 HydrophobicContact CG2-CD2 4.33Å; P123-Y181 HydrophobicContact CB-CD2 4Å; F146-Y181 HydrophobicContact CD2-CE1 4.34Å; F146-Y181 WeakPolarHBondContact CD2-OH 3.49Å; F146-Y181 AromaticContact CE2-CE1 3.51Å; F146-Y181 HydrophobicContact CE2-CE1 3.51Å; F146-Y181 AromaticContact CE2-CZ 3.83Å; F146-Y181 WeakPolarHBondContact CE2-OH 3.33Å; F146-Y181 AromaticContact CZ-CE1 3.98Å; F146-Y181 HydrophobicContact CZ-CE1 3.98Å; T175-Y181 HydrophobicContact CG2-CD2 3.99Å; T175-Y181 HydrophobicContact CG2-CG 4.36Å; Y181-R183 HydrophobicContact CD1-CG 4.17Å; Y181-R183 HydrophobicContact CE1-CG 4.18Å; Y181-R183 PolarHBondContact O-N 3.45Å
182	E	94.1	Very high	90.3	Very high	75 Å²	75	67.6 Å²	67.6	35%	0.35	34%	0.341	S	S	.	.			trans	-87.1	111.8	178.4	-58.8	174.7	-178.6	0	0	108.9	P123 T125 R128	P123-E182 WeakPolarHBondContact O-CB 3.42Å; P123-E182 PolarHBondContact O-N 3.49Å; T125-E182 WeakPolarHBondContact CB-OE2 3.28Å; T125-E182 PolarHBondContact N-OE2 3.34Å; T125-E182 VanDerWaalsContact OG1-CB 3.26Å; T125-E182 WeakPolarHBondContact OG1-CB 3.48Å; T125-E182 PolarHBondContact OG1-OE2 2.86Å; R128-E182 VanDerWaalsContact CZ-O 3.32Å; R128-E182 PolarHBondContact NH1-O 3.24Å; R128-E182 PolarHBondContact NH2-O 2.86Å
183	R	95	Very high	90.8	Very high	163 Å²	163	59.6 Å²	59.6	62%	0.615	31%	0.307	S	S	*	.			trans	-64.8	137.4	-179.2	-62.9	-178.5	-178	-171.3	-1.4	110.3	F146 Y181 E185	F146-R183 HydrophobicContact CE1-CB 4.35Å; F146-R183 HydrophobicContact CE1-CG 4.32Å; F146-R183 HydrophobicContact CZ-CB 4.39Å; F146-R183 HydrophobicContact CZ-CG 4.02Å; Y181-R183 HydrophobicContact CD1-CG 4.17Å; Y181-R183 HydrophobicContact CE1-CG 4.18Å; Y181-R183 PolarHBondContact O-N 3.45Å; R183-E185 PolarHBondContact O-N 3.08Å
184	P	95.4	Very high	91	Very high	14 Å²	14	61.2 Å²	61.2	9%	0.091	32%	0.324	C	S	.	.			trans	-58.2	131.4	173.4	-24.5	34.7	0	0	0	111.8	T47 F146 P187	T47-P184 HydrophobicContact CG2-CG 3.71Å; F146-P184 HydrophobicContact CB-CG 4.03Å; F146-P184 HydrophobicContact CD2-CG 4.29Å; F146-P184 HydrophobicContact CG-CG 4.08Å; P184-P187 HydrophobicContact CB-CB 3.96Å; P184-P187 HydrophobicContact CB-CG 4.06Å
185	E	93.9	Very high	91.2	Very high	178 Å²	178	66.9 Å²	66.9	83%	0.832	35%	0.351	S	S	*	.	S	Bend	trans	-78.8	-31.9	179.1	-65.1	-178.2	174.9	0	0	112.6	R183	R183-E185 PolarHBondContact O-N 3.08Å
186	S	95.5	Very high	91.3	Very high	96 Å²	96	68.7 Å²	68.7	67%	0.671	36%	0.36	S	S	*	.	S	Bend	trans	-142.7	60.9	-178.1	-61.6	0	0	0	0	111.7
187	P	97.3	Very high	91.4	Very high	29 Å²	29	71.3 Å²	71.3	19%	0.188	37%	0.371	C	S	.	.			trans	-69	147.2	173.4	31.7	-33.5	0	0	0	110.3	E144 F146 P184 L189 V190	E144-P187 HydrophobicContact CG-CB 4.42Å; E144-P187 WeakPolarHBondContact O-CB 3.28Å; F146-P187 HydrophobicContact CB-CB 4.11Å; F146-P187 HydrophobicContact CB-CG 4.16Å; P184-P187 HydrophobicContact CB-CB 3.96Å; P184-P187 HydrophobicContact CB-CG 4.06Å; P187-L189 PolarHBondContact O-N 3.09Å; P187-V190 HydrophobicContact CG-CG2 3.5Å
188	E	98.2	Very high	91.2	Very high	71 Å²	71	72.5 Å²	72.5	33%	0.332	38%	0.38	S	S	.	.	S	Bend	trans	-62.2	-28.2	172.5	-79.3	72	-158.4	0	0	112.3	R132 L143 E144 L208	R132-E188 IonicContact CZ-OE1 2.74Å; R132-E188 IonicContact CZ-OE2 4Å; R132-E188 IonicContact NH1-OE1 3.58Å; R132-E188 PolarHBondContact NH1-OE1 3.24Å; R132-E188 IonicContact NH1-OE2 3.45Å; R132-E188 PolarHBondContact NH1-OE2 2.89Å; R132-E188 IonicContact NH2-OE1 3.58Å; R132-E188 PolarHBondContact NH2-OE1 3.31Å; R132-E188 IonicContact NH2-OE2 3.19Å; R132-E188 PolarHBondContact NH2-OE2 2.81Å; L143-E188 HydrophobicContact CD2-CB 4.47Å; L143-E188 HydrophobicContact CD2-CG 3.94Å; E144-E188 WeakPolarHBondContact CA-OE2 3.39Å; E144-E188 WeakPolarHBondContact CB-OE2 3.18Å; E144-E188 PolarHBondContact N-OE2 3Å; E144-E188 PolarHBondContact O-N 3.36Å; E188-L208 HydrophobicContact CB-CD1 4.2Å; E188-L208 HydrophobicContact CB-CD2 4.1Å
189	L	97.8	Very high	90.9	Very high	29 Å²	29	73.2 Å²	73.2	15%	0.152	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	142.1	176	-178.8	65.6	0	0	0	112	E144 V145 F146 P187 L191 Q204 L205 L208	E144-L189 PolarHBondContact O-N 3.5Å; V145-L189 CarbonylContact C-O 3.43Å; V145-L189 WeakPolarHBondContact CA-O 3.48Å; V145-L189 HydrophobicContact CG1-CB 4.22Å; V145-L189 HydrophobicContact CG1-CD2 4.26Å; V145-L189 HydrophobicContact CG1-CG 4.36Å; V145-L189 HydrophobicContact CG2-CB 4.45Å; F146-L189 PolarHBondContact N-O 3.1Å; P187-L189 PolarHBondContact O-N 3.09Å; L189-L191 HydrophobicContact CD2-CD1 4.42Å; L189-L191 HydrophobicContact CD2-CD2 3.81Å; L189-L191 HydrophobicContact CD2-CG 4.06Å; L189-L191 HydrophobicContact CG-CD2 4.06Å; L189-L191 HydrophobicContact CG-CG 4.18Å; L189-Q204 HydrophobicContact CD1-CB 4.3Å; L189-Q204 HydrophobicContact CD2-CB 4.14Å; L189-L205 HydrophobicContact CD2-CD2 3.97Å; L189-L205 HydrophobicContact CD2-CG 4.02Å; L189-L208 HydrophobicContact CB-CD2 3.97Å; L189-L208 HydrophobicContact CD2-CD2 4.42Å
190	V	97.9	Very high	90.8	Very high	60 Å²	60	74.6 Å²	74.6	36%	0.364	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.8	171.4	-176.7	0	0	0	0	109.4	F146 H148 P187	F146-V190 HydrophobicContact CB-CG2 4.33Å; F146-V190 HydrophobicContact CD1-CG1 3.94Å; F146-V190 HydrophobicContact CD1-CG2 4.31Å; F146-V190 WeakPolarHBondContact O-CA 3.32Å; H148-V190 HydrophobicContact CB-CG1 4.01Å; P187-V190 HydrophobicContact CG-CG2 3.5Å
191	L	96.9	Very high	90.9	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111.4	177.8	-66.3	178.3	0	0	0	110.1	L57 V145 F146 I147 H148 L189 T193 C201 Q204 L205	L57-L191 HydrophobicContact CD1-CD1 3.83Å; V145-L191 HydrophobicContact CG1-CD1 3.74Å; V145-L191 HydrophobicContact CG1-CG 4Å; F146-L191 PolarHBondContact O-N 2.96Å; I147-L191 HydrophobicContact CD1-CB 3.99Å; I147-L191 HydrophobicContact CD1-CD1 3.65Å; I147-L191 HydrophobicContact CD1-CG 4.28Å; H148-L191 PolarHBondContact N-O 2.57Å; L189-L191 HydrophobicContact CD2-CD1 4.42Å; L189-L191 HydrophobicContact CD2-CD2 3.81Å; L189-L191 HydrophobicContact CD2-CG 4.06Å; L189-L191 HydrophobicContact CG-CD2 4.06Å; L189-L191 HydrophobicContact CG-CG 4.18Å; L191-T193 PolarHBondContact O-N 2.78Å; L191-T193 VanDerWaalsContact O-N 3.08Å; L191-C201 HydrophobicContact CD1-CB 4.1Å; L191-C201 HydrophobicContact CD2-CB 4.16Å; L191-Q204 HydrophobicContact CD2-CB 4.01Å; L191-L205 HydrophobicContact CD1-CD1 3.81Å; L191-L205 HydrophobicContact CD1-CD2 4.48Å; L191-L205 HydrophobicContact CD1-CG 3.94Å
192	K	94.4	Very high	90.7	Very high	100 Å²	100	66.3 Å²	66.3	44%	0.435	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	79	-179.8	-63.7	-174.3	-177.4	179.6	0	111.5	H148 E195 L196	H148-K192 CarbonylContact O-C 3.51Å; H148-K192 WeakPolarHBondContact O-CA 3.36Å; K192-E195 HydrophobicContact CB-CB 4.37Å; K192-E195 VanDerWaalsContact CD-OE2 3.3Å; K192-E195 WeakPolarHBondContact CD-OE2 3.31Å; K192-E195 PolarHBondContact O-N 3.33Å; K192-L196 HydrophobicContact CB-CD1 4.48Å; K192-L196 PolarHBondContact O-N 2.87Å
193	T	89.9	Confident	90.2	Very high	13 Å²	13	67 Å²	67	8%	0.08	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-73.8	135.4	-179.6	58.2	0	0	0	0	110.8	A52 L57 I147 H148 A149 L191	A52-T193 VanDerWaalsContact O-CB 3.29Å; A52-T193 WeakPolarHBondContact O-CB 3.36Å; A52-T193 PolarHBondContact O-OG1 2.79Å; L57-T193 HydrophobicContact CD1-CG2 4.06Å; I147-T193 HydrophobicContact CG2-CG2 3.66Å; H148-T193 PolarHBondContact O-N 2.71Å; A149-T193 WeakPolarHBondContact CB-O 3.12Å; A149-T193 WeakPolarHBondContact CB-OG1 3.38Å; L191-T193 PolarHBondContact O-N 2.78Å; L191-T193 VanDerWaalsContact O-N 3.08Å
194	G	83.6	Confident	90	Very high	52 Å²	52	62 Å²	62	54%	0.536	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.5	-19.9	-167.2	0	0	0	0	0	113.4
195	E	88.4	Confident	90	Very high	141 Å²	141	61.4 Å²	61.4	66%	0.659	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-43.9	163.3	-64.3	170.8	-150.8	0	0	110.4	K192	K192-E195 HydrophobicContact CB-CB 4.37Å; K192-E195 VanDerWaalsContact CD-OE2 3.3Å; K192-E195 WeakPolarHBondContact CD-OE2 3.31Å; K192-E195 PolarHBondContact O-N 3.33Å
196	L	86.1	Confident	89.8	Confident	48 Å²	48	53.2 Å²	53.2	25%	0.251	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-91	146.9	-179.6	-59.5	175.5	0	0	0	112.5	K192 E200	K192-L196 HydrophobicContact CB-CD1 4.48Å; K192-L196 PolarHBondContact O-N 2.87Å; L196-E200 HydrophobicContact CB-CB 4.3Å; L196-E200 HydrophobicContact CD2-CB 4.3Å
197	T	84.1	Confident	89.5	Confident	78 Å²	78	51.8 Å²	51.8	48%	0.479	28%	0.277	S	S	.	.			trans	-73.7	164.7	166.6	63.8	0	0	0	0	111.5	N199 E200 C201	T197-N199 VanDerWaalsContact C-N 3.31Å; T197-N199 PolarHBondContact O-N 3.41Å; T197-E200 PolarHBondContact N-OE2 3.13Å; T197-E200 PolarHBondContact O-N 3.45Å; T197-E200 VanDerWaalsContact OG1-CG 3.29Å; T197-E200 WeakPolarHBondContact OG1-CG 3.39Å; T197-E200 PolarHBondContact OG1-N 2.93Å; T197-E200 PolarHBondContact OG1-OE2 2.9Å; T197-C201 PolarHBondContact O-N 3.48Å; T197-C201 VanDerWaalsContact O-N 3.09Å; T197-C201 PolarHBondContact O-SG 2.87Å
198	V	81.8	Confident	89.3	Confident	62 Å²	62	51.4 Å²	51.4	38%	0.376	27%	0.274	S	S	.	.	H	α-helix	trans	-57.9	-44.7	174.9	173.4	0	0	0	0	110.9	T56 L57 A60 E200 C201 I202	T56-V198 HydrophobicContact CG2-CG2 3.92Å; L57-V198 HydrophobicContact CD2-CG1 4.23Å; A60-V198 HydrophobicContact CB-CG1 3.96Å; V198-E200 PolarHBondContact O-N 3.11Å; V198-C201 WeakPolarHBondContact O-CB 3.47Å; V198-C201 PolarHBondContact O-N 3.19Å; V198-I202 HydrophobicContact CG1-CG1 4.31Å; V198-I202 WeakPolarHBondContact O-CG1 3.34Å; V198-I202 PolarHBondContact O-N 2.85Å
199	N	75.8	Confident	89.1	Confident	112 Å²	112	48.1 Å²	48.1	60%	0.599	26%	0.258	S	S	*	.	H	α-helix	trans	-63.6	-41.1	-179.1	-70	-19	0	0	0	112.4	T197 C201 I202 H203	T197-N199 VanDerWaalsContact C-N 3.31Å; T197-N199 PolarHBondContact O-N 3.41Å; N199-C201 VanDerWaalsContact C-N 3.33Å; N199-C201 PolarHBondContact O-N 3.44Å; N199-I202 PolarHBondContact O-N 2.91Å; N199-H203 WeakPolarHBondContact O-CB 3.49Å; N199-H203 PolarHBondContact O-N 2.89Å
200	E	80.5	Confident	88.7	Confident	56 Å²	56	49.1 Å²	49.1	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-39.1	175.5	-72.3	167	137.2	0	0	111.7	L196 T197 V198 H203 Q204 K397	L196-E200 HydrophobicContact CB-CB 4.3Å; L196-E200 HydrophobicContact CD2-CB 4.3Å; T197-E200 PolarHBondContact N-OE2 3.13Å; T197-E200 PolarHBondContact O-N 3.45Å; T197-E200 VanDerWaalsContact OG1-CG 3.29Å; T197-E200 WeakPolarHBondContact OG1-CG 3.39Å; T197-E200 PolarHBondContact OG1-N 2.93Å; T197-E200 PolarHBondContact OG1-OE2 2.9Å; V198-E200 PolarHBondContact O-N 3.11Å; E200-H203 PolarHBondContact O-N 3.28Å; E200-Q204 WeakPolarHBondContact O-CG 3.32Å; E200-Q204 PolarHBondContact O-N 2.86Å; E200-Q204 VanDerWaalsContact O-N 3.12Å; E200-K397 IonicContact OE1-NZ 3.5Å
201	C	90.8	Very high	88.4	Confident	1 Å²	1	51 Å²	51	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-43.7	175.3	-67.5	0	0	0	0	112.2	L57 L191 T197 V198 N199 H203 Q204 L205	L57-C201 HydrophobicContact CD1-CB 4.14Å; L57-C201 HydrophobicContact CD2-CB 3.43Å; L57-C201 VanDerWaalsContact CD2-CB 3.43Å; L57-C201 HydrophobicContact CG-CB 4.45Å; L191-C201 HydrophobicContact CD1-CB 4.1Å; L191-C201 HydrophobicContact CD2-CB 4.16Å; T197-C201 PolarHBondContact O-N 3.48Å; T197-C201 VanDerWaalsContact O-N 3.09Å; T197-C201 PolarHBondContact O-SG 2.87Å; V198-C201 WeakPolarHBondContact O-CB 3.47Å; V198-C201 PolarHBondContact O-N 3.19Å; N199-C201 VanDerWaalsContact C-N 3.33Å; N199-C201 PolarHBondContact O-N 3.44Å; C201-H203 VanDerWaalsContact C-N 3.34Å; C201-Q204 PolarHBondContact O-N 3.34Å; C201-L205 PolarHBondContact O-N 3.42Å
202	I	88.2	Confident	88.2	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.077	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-40.6	176.4	-66.8	-59.6	0	0	0	110.7	L57 A60 L61 V198 N199 Q204 L205 L206	L57-I202 HydrophobicContact CD2-CD1 4.37Å; A60-I202 HydrophobicContact CB-CD1 3.8Å; A60-I202 HydrophobicContact CB-CG1 3.9Å; L61-I202 HydrophobicContact CB-CD1 3.81Å; V198-I202 HydrophobicContact CG1-CG1 4.31Å; V198-I202 WeakPolarHBondContact O-CG1 3.34Å; V198-I202 PolarHBondContact O-N 2.85Å; N199-I202 PolarHBondContact O-N 2.91Å; I202-Q204 PolarHBondContact O-N 2.97Å; I202-L205 HydrophobicContact CD1-CD1 4.18Å; I202-L205 WeakPolarHBondContact O-CB 3.25Å; I202-L205 PolarHBondContact O-N 3.33Å; I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.2Å; I202-L206 VanDerWaalsContact O-CG 3.22Å; I202-L206 WeakPolarHBondContact O-CG 3.49Å; I202-L206 PolarHBondContact O-N 2.83Å
203	H	83.2	Confident	87.9	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.417	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-48.7	176.9	-171.1	62.8	0	0	0	112.1	N199 E200 C201 L205 L206 E207	N199-H203 WeakPolarHBondContact O-CB 3.49Å; N199-H203 PolarHBondContact O-N 2.89Å; E200-H203 PolarHBondContact O-N 3.28Å; C201-H203 VanDerWaalsContact C-N 3.34Å; H203-L205 VanDerWaalsContact C-N 3.31Å; H203-L205 PolarHBondContact O-N 3.43Å; H203-L206 PolarHBondContact O-N 3.1Å; H203-L206 VanDerWaalsContact O-N 3.11Å; H203-E207 IonicContact NE2-OE1 2.78Å; H203-E207 WeakPolarHBondContact O-CG 3.5Å; H203-E207 PolarHBondContact O-N 2.95Å
204	Q	91.4	Very high	88	Confident	58 Å²	58	55.4 Å²	55.4	27%	0.271	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-36.9	176.8	-69.6	-179.5	28.3	0	0	112.7	L189 L191 E200 C201 I202 E207 L208	L189-Q204 HydrophobicContact CD1-CB 4.3Å; L189-Q204 HydrophobicContact CD2-CB 4.14Å; L191-Q204 HydrophobicContact CD2-CB 4.01Å; E200-Q204 WeakPolarHBondContact O-CG 3.32Å; E200-Q204 PolarHBondContact O-N 2.86Å; E200-Q204 VanDerWaalsContact O-N 3.12Å; C201-Q204 PolarHBondContact O-N 3.34Å; I202-Q204 PolarHBondContact O-N 2.97Å; Q204-E207 PolarHBondContact O-N 3.09Å; Q204-L208 PolarHBondContact O-N 3.47Å
205	L	94.1	Very high	88.2	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-44.1	172.7	-83.6	162.8	0	0	0	111.5	I44 L61 V145 L189 L191 C201 I202 H203 L208 L209	I44-L205 HydrophobicContact CG2-CD2 4.39Å; L61-L205 HydrophobicContact CD2-CD1 4.38Å; V145-L205 HydrophobicContact CB-CD2 4.47Å; V145-L205 HydrophobicContact CG1-CD2 4.01Å; V145-L205 HydrophobicContact CG2-CD2 3.81Å; L189-L205 HydrophobicContact CD2-CD2 3.97Å; L189-L205 HydrophobicContact CD2-CG 4.02Å; L191-L205 HydrophobicContact CD1-CD1 3.81Å; L191-L205 HydrophobicContact CD1-CD2 4.48Å; L191-L205 HydrophobicContact CD1-CG 3.94Å; C201-L205 PolarHBondContact O-N 3.42Å; I202-L205 HydrophobicContact CD1-CD1 4.18Å; I202-L205 WeakPolarHBondContact O-CB 3.25Å; I202-L205 PolarHBondContact O-N 3.33Å; H203-L205 VanDerWaalsContact C-N 3.31Å; H203-L205 PolarHBondContact O-N 3.43Å; L205-L208 WeakPolarHBondContact O-CB 3.47Å; L205-L208 PolarHBondContact O-N 2.92Å; L205-L209 VanDerWaalsContact O-CG 3.25Å; L205-L209 WeakPolarHBondContact O-CG 3.38Å; L205-L209 PolarHBondContact O-N 3.26Å
206	L	89.9	Confident	87.7	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-39.4	179.9	-67.4	169.2	0	0	0	112	L61 Y64 I202 H203 L209 R210 V215 I220	L61-L206 HydrophobicContact CD1-CD2 4.13Å; Y64-L206 HydrophobicContact CD1-CD1 3.8Å; Y64-L206 HydrophobicContact CD1-CD2 3.33Å; Y64-L206 HydrophobicContact CD1-CG 4.16Å; Y64-L206 HydrophobicContact CD2-CD1 3.79Å; Y64-L206 HydrophobicContact CE1-CD1 3.47Å; Y64-L206 VanDerWaalsContact CE1-CD1 3.47Å; Y64-L206 HydrophobicContact CE1-CD2 3.25Å; Y64-L206 HydrophobicContact CE1-CG 3.97Å; Y64-L206 HydrophobicContact CE2-CD1 3.47Å; Y64-L206 VanDerWaalsContact CE2-CD1 3.47Å; Y64-L206 HydrophobicContact CG-CD1 3.93Å; Y64-L206 HydrophobicContact CG-CD2 4.13Å; I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.2Å; I202-L206 VanDerWaalsContact O-CG 3.22Å; I202-L206 WeakPolarHBondContact O-CG 3.49Å; I202-L206 PolarHBondContact O-N 2.83Å; H203-L206 PolarHBondContact O-N 3.1Å; H203-L206 VanDerWaalsContact O-N 3.11Å; L206-L209 PolarHBondContact O-N 3.26Å; L206-R210 WeakPolarHBondContact O-CB 3.23Å; L206-R210 PolarHBondContact O-N 3.36Å; L206-V215 HydrophobicContact CD2-CG2 4.48Å; L206-I220 HydrophobicContact CB-CD1 4.11Å; L206-I220 HydrophobicContact CB-CG1 4.4Å; L206-I220 WeakPolarHBondContact O-CD1 3.3Å
207	E	88.4	Confident	86.8	Confident	65 Å²	65	48.9 Å²	48.9	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-58	-48	172.2	-71.3	-178.8	141.1	0	0	111.1	H203 Q204 L209 R210 D211	H203-E207 IonicContact NE2-OE1 2.78Å; H203-E207 WeakPolarHBondContact O-CG 3.5Å; H203-E207 PolarHBondContact O-N 2.95Å; Q204-E207 PolarHBondContact O-N 3.09Å; E207-L209 VanDerWaalsContact C-N 3.32Å; E207-L209 PolarHBondContact O-N 3.46Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 2.99Å; E207-D211 PolarHBondContact O-N 3.31Å
208	L	94.6	Very high	85.8	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-56.4	-46.9	173.9	174.6	68.2	0	0	0	111.2	L143 V145 E188 L189 Q204 L205 R210 D211 Q212	L143-L208 HydrophobicContact CB-CD2 4.34Å; L143-L208 HydrophobicContact CD1-CD2 4.16Å; L143-L208 HydrophobicContact CD1-CG 4.35Å; V145-L208 HydrophobicContact CG2-CD2 4.49Å; E188-L208 HydrophobicContact CB-CD1 4.2Å; E188-L208 HydrophobicContact CB-CD2 4.1Å; L189-L208 HydrophobicContact CB-CD2 3.97Å; L189-L208 HydrophobicContact CD2-CD2 4.42Å; Q204-L208 PolarHBondContact O-N 3.47Å; L205-L208 WeakPolarHBondContact O-CB 3.47Å; L205-L208 PolarHBondContact O-N 2.92Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 3.43Å; L208-D211 PolarHBondContact O-N 3.49Å; L208-Q212 HydrophobicContact CD1-CG 4.11Å; L208-Q212 HydrophobicContact CG-CG 4.5Å; L208-Q212 WeakPolarHBondContact O-CB 3.38Å; L208-Q212 WeakPolarHBondContact O-CG 3.28Å; L208-Q212 PolarHBondContact O-N 3.17Å
209	L	93.9	Very high	85	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-31.6	-179.2	-65.1	175.8	0	0	0	112.9	I44 L61 L65 L143 L205 L206 E207 Q212 N213 I214 V215	I44-L209 HydrophobicContact CD1-CD1 3.78Å; I44-L209 HydrophobicContact CD1-CD2 3.6Å; I44-L209 HydrophobicContact CD1-CG 4.24Å; I44-L209 HydrophobicContact CG1-CD2 4.06Å; L61-L209 HydrophobicContact CD1-CD1 4.15Å; L65-L209 HydrophobicContact CD2-CD1 4.48Å; L143-L209 HydrophobicContact CD1-CD2 3.5Å; L205-L209 VanDerWaalsContact O-CG 3.25Å; L205-L209 WeakPolarHBondContact O-CG 3.38Å; L205-L209 PolarHBondContact O-N 3.26Å; L206-L209 PolarHBondContact O-N 3.26Å; E207-L209 VanDerWaalsContact C-N 3.32Å; E207-L209 PolarHBondContact O-N 3.46Å; L209-Q212 CarbonylContact O-C 3.44Å; L209-N213 PolarHBondContact O-N 3.09Å; L209-I214 HydrophobicContact CB-CB 4.27Å; L209-I214 HydrophobicContact CD2-CB 4.19Å; L209-I214 HydrophobicContact CD2-CD1 3.67Å; L209-I214 HydrophobicContact CD2-CG2 4.12Å; L209-I214 WeakPolarHBondContact O-CB 3.34Å; L209-I214 PolarHBondContact O-N 2.91Å; L209-V215 HydrophobicContact CB-CB 4.04Å; L209-V215 HydrophobicContact CB-CG2 3.63Å; L209-V215 HydrophobicContact CD1-CG2 3.96Å; L209-V215 HydrophobicContact CG-CG2 4.44Å; L209-V215 PolarHBondContact O-N 3.5Å; L209-V215 VanDerWaalsContact O-N 3.16Å
210	R	89.3	Confident	84.4	Confident	50 Å²	50	42.1 Å²	42.1	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-50.8	172	175.9	-166.8	62.6	-162.4	-3.2	111.1	L206 E207 L208 Q212 N213 V215 I220 E222	L206-R210 WeakPolarHBondContact O-CB 3.23Å; L206-R210 PolarHBondContact O-N 3.36Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 2.99Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 3.43Å; R210-Q212 PolarHBondContact O-N 2.94Å; R210-N213 WeakPolarHBondContact O-CA 3.47Å; R210-N213 PolarHBondContact O-N 2.85Å; R210-V215 WeakPolarHBondContact CA-O 3.38Å; R210-I220 HydrophobicContact CB-CD1 3.65Å; R210-I220 HydrophobicContact CG-CD1 4.25Å; R210-E222 IonicContact NH1-OE2 3.6Å; R210-E222 PolarHBondContact NH1-OE2 3.06Å
211	D	90.4	Very high	83.5	Confident	100 Å²	100	41.4 Å²	41.4	54%	0.535	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-30.9	-178.1	-64	-3.9	0	0	0	110.6	E207 L208 N213	E207-D211 PolarHBondContact O-N 3.31Å; L208-D211 PolarHBondContact O-N 3.49Å; D211-N213 VanDerWaalsContact C-N 3.3Å; D211-N213 PolarHBondContact O-N 2.99Å; D211-N213 PolarHBondContact O-ND2 3.42Å
212	Q	92.6	Very high	82.6	Confident	70 Å²	70	46.8 Å²	46.8	33%	0.327	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	7.8	171.6	-63.4	-61.2	-34.1	0	0	114	K141 L143 L208 L209 R210 I214	K141-Q212 PolarHBondContact NZ-O 3.24Å; L143-Q212 HydrophobicContact CD1-CG 4.48Å; L143-Q212 HydrophobicContact CD2-CG 3.98Å; L208-Q212 HydrophobicContact CD1-CG 4.11Å; L208-Q212 HydrophobicContact CG-CG 4.5Å; L208-Q212 WeakPolarHBondContact O-CB 3.38Å; L208-Q212 WeakPolarHBondContact O-CG 3.28Å; L208-Q212 PolarHBondContact O-N 3.17Å; L209-Q212 CarbonylContact O-C 3.44Å; R210-Q212 PolarHBondContact O-N 2.94Å; Q212-I214 HydrophobicContact CB-CD1 3.8Å; Q212-I214 HydrophobicContact CB-CG1 4.27Å; Q212-I214 PolarHBondContact O-N 3.38Å; Q212-I214 VanDerWaalsContact O-N 3.13Å
213	N	89.6	Confident	82.6	Confident	132 Å²	132	46.5 Å²	46.5	71%	0.706	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	31	179.7	-61.3	-85.2	0	0	0	114.3	L209 R210 D211	L209-N213 PolarHBondContact O-N 3.09Å; R210-N213 WeakPolarHBondContact O-CA 3.47Å; R210-N213 PolarHBondContact O-N 2.85Å; D211-N213 VanDerWaalsContact C-N 3.3Å; D211-N213 PolarHBondContact O-N 2.99Å; D211-N213 PolarHBondContact O-ND2 3.42Å
214	I	91.6	Very high	82.9	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.015	23%	0.231	C	C	.	.	S	Bend	trans	-90.7	-45.3	174.7	-67	157.5	0	0	0	109.1	R40 C42 V115 K141 L143 L209 Q212	R40-I214 HydrophobicContact CB-CG2 4.47Å; R40-I214 WeakPolarHBondContact CD-O 3.38Å; R40-I214 PolarHBondContact NE-O 2.86Å; C42-I214 HydrophobicContact CB-CD1 3.94Å; C42-I214 HydrophobicContact CB-CG1 4.37Å; C42-I214 VanDerWaalsContact SG-CD1 3.59Å; V115-I214 HydrophobicContact CG2-CG2 3.8Å; K141-I214 HydrophobicContact CD-CD1 4.19Å; K141-I214 HydrophobicContact CD-CG1 4.25Å; L143-I214 HydrophobicContact CD1-CD1 3.65Å; L209-I214 HydrophobicContact CB-CB 4.27Å; L209-I214 HydrophobicContact CD2-CB 4.19Å; L209-I214 HydrophobicContact CD2-CD1 3.67Å; L209-I214 HydrophobicContact CD2-CG2 4.12Å; L209-I214 WeakPolarHBondContact O-CB 3.34Å; L209-I214 PolarHBondContact O-N 2.91Å; Q212-I214 HydrophobicContact CB-CD1 3.8Å; Q212-I214 HydrophobicContact CB-CG1 4.27Å; Q212-I214 PolarHBondContact O-N 3.38Å; Q212-I214 VanDerWaalsContact O-N 3.13Å
215	V	87.2	Confident	83.1	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.23	C	C	.	.	S	Bend	trans	-102.3	123	173	174.3	0	0	0	0	108	L65 I70 L206 L209 R210 I219	L65-V215 HydrophobicContact CD2-CG2 3.79Å; I70-V215 HydrophobicContact CD1-CB 4.39Å; I70-V215 HydrophobicContact CD1-CG1 4.33Å; I70-V215 HydrophobicContact CD1-CG2 3.9Å; L206-V215 HydrophobicContact CD2-CG2 4.48Å; L209-V215 HydrophobicContact CB-CB 4.04Å; L209-V215 HydrophobicContact CB-CG2 3.63Å; L209-V215 HydrophobicContact CD1-CG2 3.96Å; L209-V215 HydrophobicContact CG-CG2 4.44Å; L209-V215 PolarHBondContact O-N 3.5Å; L209-V215 VanDerWaalsContact O-N 3.16Å; R210-V215 WeakPolarHBondContact CA-O 3.38Å; V215-I219 HydrophobicContact CG1-CB 3.84Å; V215-I219 HydrophobicContact CG1-CD1 4.15Å; V215-I219 HydrophobicContact CG1-CG2 3.93Å
216	P	78.3	Confident	83.3	Confident	33 Å²	33	45.8 Å²	45.8	21%	0.214	23%	0.234	C	C	.	.			trans	-56	142.3	173	-25	27.9	0	0	0	112.8	E218 I219	P216-E218 WeakPolarHBondContact CB-OE2 2.88Å; P216-E218 PolarHBondContact O-N 3.1Å; P216-E218 VanDerWaalsContact O-N 3.12Å; P216-I219 HydrophobicContact CB-CD1 4.12Å; P216-I219 HydrophobicContact CB-CG1 4.16Å; P216-I219 HydrophobicContact CG-CD1 3.82Å; P216-I219 HydrophobicContact CG-CG1 4.4Å; P216-I219 WeakPolarHBondContact O-CB 3.31Å; P216-I219 PolarHBondContact O-N 2.64Å
217	S	67.9	Low	83.7	Confident	71 Å²	71	47.8 Å²	47.8	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	-178.6	-59.4	0	0	0	0	113.1	I219	S217-I219 PolarHBondContact O-N 2.86Å
218	E	62.9	Low	84	Confident	94 Å²	94	45.4 Å²	45.4	44%	0.439	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.5	-179.4	-53.2	82.9	-178.8	0	0	113.4	P216	P216-E218 WeakPolarHBondContact CB-OE2 2.88Å; P216-E218 PolarHBondContact O-N 3.1Å; P216-E218 VanDerWaalsContact O-N 3.12Å
219	I	64.6	Low	83.9	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-31.4	-178.7	-63.5	-177.6	0	0	0	111.8	R36 Y64 H68 I70 V215 P216 S217 E221	R36-I219 VanDerWaalsContact NE-CD1 3.29Å; Y64-I219 HydrophobicContact CE1-CG2 3.93Å; Y64-I219 PolarHBondContact OH-O 3.2Å; H68-I219 HydrophobicContact CB-CD1 4.35Å; H68-I219 HydrophobicContact CB-CG2 3.69Å; H68-I219 VanDerWaalsContact CD2-CG2 3.41Å; H68-I219 WeakPolarHBondContact CD2-CG2 3.38Å; H68-I219 VanDerWaalsContact CG-CG2 3.48Å; I70-I219 HydrophobicContact CD1-CD1 3.7Å; I70-I219 HydrophobicContact CG1-CD1 4.38Å; V215-I219 HydrophobicContact CG1-CB 3.84Å; V215-I219 HydrophobicContact CG1-CD1 4.15Å; V215-I219 HydrophobicContact CG1-CG2 3.93Å; P216-I219 HydrophobicContact CB-CD1 4.12Å; P216-I219 HydrophobicContact CB-CG1 4.16Å; P216-I219 HydrophobicContact CG-CD1 3.82Å; P216-I219 HydrophobicContact CG-CG1 4.4Å; P216-I219 WeakPolarHBondContact O-CB 3.31Å; P216-I219 PolarHBondContact O-N 2.64Å; S217-I219 PolarHBondContact O-N 2.86Å; I219-E221 PolarHBondContact O-N 3.14Å
220	I	63.2	Low	83.8	Confident	11 Å²	11	56.5 Å²	56.5	6%	0.056	29%	0.29	C	S	.	.	S	Bend	trans	-70.7	106.2	171	-58.3	-170.6	0	0	0	105.2	L206 R210 E222	L206-I220 HydrophobicContact CB-CD1 4.11Å; L206-I220 HydrophobicContact CB-CG1 4.4Å; L206-I220 WeakPolarHBondContact O-CD1 3.3Å; R210-I220 HydrophobicContact CB-CD1 3.65Å; R210-I220 HydrophobicContact CG-CD1 4.25Å; I220-E222 HydrophobicContact CG2-CB 4.37Å; I220-E222 PolarHBondContact O-N 2.93Å
221	E	62.1	Low	83.9	Confident	41 Å²	41	60.6 Å²	60.6	19%	0.192	32%	0.316	C	S	.	.			trans	-67.9	64.1	177.5	-62.2	-165.3	177.9	0	0	111.1	I219 K393 R497 M500 I501	I219-E221 PolarHBondContact O-N 3.14Å; E221-K393 PolarHBondContact O-NZ 3.38Å; E221-R497 IonicContact OE1-NH1 3.28Å; E221-R497 PolarHBondContact OE1-NH1 3.03Å; E221-R497 IonicContact OE2-CZ 2.7Å; E221-R497 IonicContact OE2-NH1 2.91Å; E221-R497 PolarHBondContact OE2-NH1 2.74Å; E221-M500 WeakPolarHBondContact OE1-CE 3.36Å; E221-I501 HydrophobicContact CB-CD1 4.36Å
222	E	72.2	Confident	84.1	Confident	115 Å²	115	61.7 Å²	61.7	54%	0.537	32%	0.316	S	S	.	.			trans	-79.6	137.8	176.1	-155.3	172.8	167.2	0	0	108.4	R210 I220 N224	R210-E222 IonicContact NH1-OE2 3.6Å; R210-E222 PolarHBondContact NH1-OE2 3.06Å; I220-E222 HydrophobicContact CG2-CB 4.37Å; I220-E222 PolarHBondContact O-N 2.93Å; E222-N224 PolarHBondContact O-N 3.22Å; E222-N224 VanDerWaalsContact O-N 3.08Å
223	V	87.3	Confident	84.3	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.055	31%	0.309	C	S	.	.			trans	-74.1	104.8	177.3	-175.7	0	0	0	0	107.2	E225 E261 P389 K390 I501	V223-E225 HydrophobicContact CG1-CG 4.14Å; V223-E225 PolarHBondContact O-N 2.8Å; V223-E261 WeakPolarHBondContact CG1-O 3.26Å; V223-P389 HydrophobicContact CG1-CB 3.84Å; V223-P389 HydrophobicContact CG1-CG 4.17Å; V223-P389 HydrophobicContact CG2-CB 3.83Å; V223-K390 HydrophobicContact CB-CG 3.83Å; V223-K390 HydrophobicContact CG1-CG 4Å; V223-K390 HydrophobicContact CG2-CG 4.17Å; V223-K390 VanDerWaalsContact O-CE 3.28Å; V223-K390 WeakPolarHBondContact O-CE 3.14Å; V223-I501 HydrophobicContact CG2-CG2 4.27Å
224	N	89.6	Confident	84.5	Confident	63 Å²	63	61.1 Å²	61.1	34%	0.337	31%	0.309	S	S	.	.			trans	-82.4	88.3	175.5	-172.4	36.2	0	0	0	109.5	E222 G262 S265 L267	E222-N224 PolarHBondContact O-N 3.22Å; E222-N224 VanDerWaalsContact O-N 3.08Å; N224-G262 WeakPolarHBondContact O-CA 3.42Å; N224-S265 PolarHBondContact N-OG 3.46Å; N224-L267 PolarHBondContact ND2-O 2.96Å
225	E	95.8	Very high	84.7	Confident	53 Å²	53	66.9 Å²	66.9	25%	0.248	34%	0.34	C	S	.	.			trans	-74.7	138.4	171.6	-73.2	175.5	158.7	0	0	110.2	V223 F227 A260 T388 K390	V223-E225 HydrophobicContact CG1-CG 4.14Å; V223-E225 PolarHBondContact O-N 2.8Å; E225-F227 HydrophobicContact CB-CD2 4.11Å; E225-F227 HydrophobicContact CG-CD2 4.41Å; E225-A260 CarbonylContact C-O 3.58Å; E225-A260 WeakPolarHBondContact CA-O 3.38Å; E225-A260 WeakPolarHBondContact CB-O 3.48Å; E225-T388 PolarHBondContact OE1-OG1 3.36Å; E225-K390 HydrophobicContact CG-CD 4.38Å; E225-K390 WeakPolarHBondContact OE2-CD 3.35Å; E225-K390 WeakPolarHBondContact OE2-CE 3.45Å; E225-K390 IonicContact OE2-NZ 2.66Å; E225-K390 PolarHBondContact OE2-NZ 3.34Å
226	L	97.8	Very high	85.2	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.094	34%	0.343	C	S	.	.			trans	-103.5	16.9	-177.5	-52	-178.6	0	0	0	112.5	L259 A260 K268 L370 V372	L226-L259 HydrophobicContact CD1-CB 4.03Å; L226-A260 PolarHBondContact N-O 3.41Å; L226-K268 WeakPolarHBondContact CD1-O 3.5Å; L226-L370 HydrophobicContact CD1-CB 4.19Å; L226-V372 PolarHBondContact O-N 2.72Å
227	F	97.9	Very high	86.1	Confident	48 Å²	48	68.9 Å²	68.9	21%	0.211	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-68.9	138.1	172.1	-64.1	-63.6	0	0	0	110.6	E225 P229 A260 E261 V372 R375	E225-F227 HydrophobicContact CB-CD2 4.11Å; E225-F227 HydrophobicContact CG-CD2 4.41Å; F227-P229 WeakPolarHBondContact O-CD 3.4Å; F227-A260 HydrophobicContact CD1-CB 4.09Å; F227-A260 HydrophobicContact CE1-CB 3.47Å; F227-A260 VanDerWaalsContact CE1-CB 3.47Å; F227-A260 HydrophobicContact CE2-CB 4.2Å; F227-A260 WeakPolarHBondContact CE2-O 3.38Å; F227-A260 HydrophobicContact CZ-CB 3.53Å; F227-E261 HydrophobicContact CE2-CG 4.13Å; F227-E261 HydrophobicContact CZ-CG 3.94Å; F227-V372 CarbonylContact C-O 3.5Å; F227-V372 WeakPolarHBondContact CA-O 3.49Å; F227-V372 HydrophobicContact CD1-CB 4.06Å; F227-V372 HydrophobicContact CD1-CG1 3.99Å; F227-V372 HydrophobicContact CE1-CB 4.42Å; F227-V372 HydrophobicContact CE1-CG1 3.98Å; F227-R375 HydrophobicContact CE1-CB 4.37Å; F227-R375 HydrophobicContact CZ-CG 4.42Å
228	V	95.9	Very high	87.4	Confident	15 Å²	15	68.7 Å²	68.7	9%	0.091	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-62.1	129.6	167.3	178.5	0	0	0	0	108.1	E230 K232 A236 E371 V372 L373	V228-E230 PolarHBondContact O-N 2.82Å; V228-K232 HydrophobicContact CG1-CB 3.86Å; V228-A236 HydrophobicContact CB-CB 4.39Å; V228-A236 HydrophobicContact CG1-CB 3.8Å; V228-A236 HydrophobicContact CG2-CB 3.96Å; V228-E371 HydrophobicContact CG2-CB 3.84Å; V228-V372 PolarHBondContact N-O 2.73Å; V228-L373 HydrophobicContact CG2-CD2 4.26Å
229	P	92.1	Very high	89	Confident	71 Å²	71	66.6 Å²	66.6	46%	0.461	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-54.2	139.7	175.1	-28.7	36.7	0	0	0	111.8	F227 N231 K232 L233	F227-P229 WeakPolarHBondContact O-CD 3.4Å; P229-N231 WeakPolarHBondContact CB-OD1 3.25Å; P229-N231 PolarHBondContact O-N 3.16Å; P229-K232 WeakPolarHBondContact O-CA 3.31Å; P229-K232 PolarHBondContact O-N 2.72Å; P229-L233 PolarHBondContact O-N 3.36Å
230	E	91.3	Very high	90.6	Very high	185 Å²	185	66.4 Å²	66.4	86%	0.864	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-52.7	-37.3	-174.3	-67.1	-175.9	171.4	0	0	113.1	V228 K232 L233	V228-E230 PolarHBondContact O-N 2.82Å; E230-K232 PolarHBondContact O-N 2.83Å; E230-L233 WeakPolarHBondContact O-CB 3.32Å; E230-L233 PolarHBondContact O-N 3.41Å
231	N	92.6	Very high	92.1	Very high	136 Å²	136	70 Å²	70	73%	0.727	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-69.5	-13.6	178.4	67.5	-31.2	0	0	0	114.5	P229	P229-N231 WeakPolarHBondContact CB-OD1 3.25Å; P229-N231 PolarHBondContact O-N 3.16Å
232	K	94.4	Very high	93.7	Very high	123 Å²	123	73 Å²	73	54%	0.535	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-110.3	-6.4	177.1	-65.9	-176.8	179.7	-180	0	113.1	V228 P229 E230 H234 L235 A236	V228-K232 HydrophobicContact CG1-CB 3.86Å; P229-K232 WeakPolarHBondContact O-CA 3.31Å; P229-K232 PolarHBondContact O-N 2.72Å; E230-K232 PolarHBondContact O-N 2.83Å; K232-H234 PolarHBondContact O-N 3.05Å; K232-L235 PolarHBondContact O-N 2.77Å; K232-L235 VanDerWaalsContact O-N 3.15Å; K232-A236 PolarHBondContact O-N 2.9Å
233	L	95.1	Very high	95	Very high	36 Å²	36	68.6 Å²	68.6	19%	0.188	36%	0.363	C	S	.	.	H	α-helix	trans	-57.6	-47.2	-172.1	178.9	54.4	0	0	0	113.2	P229 E230 L235 A236 I237 L373 E374	P229-L233 PolarHBondContact O-N 3.36Å; E230-L233 WeakPolarHBondContact O-CB 3.32Å; E230-L233 PolarHBondContact O-N 3.41Å; L233-L235 VanDerWaalsContact C-N 3.27Å; L233-L235 PolarHBondContact O-N 3.27Å; L233-A236 PolarHBondContact O-N 3.37Å; L233-A236 VanDerWaalsContact O-N 3.14Å; L233-I237 HydrophobicContact CD1-CD1 3.81Å; L233-I237 HydrophobicContact CD1-CG1 3.94Å; L233-I237 HydrophobicContact CG-CD1 3.81Å; L233-I237 HydrophobicContact CG-CG1 4.38Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 2.82Å; L233-L373 HydrophobicContact CD1-CB 4.06Å; L233-L373 WeakPolarHBondContact CD1-O 3.5Å; L233-E374 HydrophobicContact CD1-CG 4.31Å; L233-E374 HydrophobicContact CD2-CG 4.2Å
234	H	95.8	Very high	95.5	Very high	153 Å²	153	70.8 Å²	70.8	71%	0.708	38%	0.377	S	S	*	.	H	α-helix	trans	-59.1	-39.2	179.6	-179.3	-82.6	0	0	0	112.5	K232 S238	K232-H234 PolarHBondContact O-N 3.05Å; H234-S238 PolarHBondContact O-N 3.42Å; H234-S238 VanDerWaalsContact O-N 3.08Å
235	L	95.8	Very high	95.8	Very high	125 Å²	125	70.3 Å²	70.3	65%	0.654	38%	0.376	S	S	*	.	H	α-helix	trans	-68.6	-43	176.8	-66.1	173.6	0	0	0	111	K232 L233 S238 D239	K232-L235 PolarHBondContact O-N 2.77Å; K232-L235 VanDerWaalsContact O-N 3.15Å; L233-L235 VanDerWaalsContact C-N 3.27Å; L233-L235 PolarHBondContact O-N 3.27Å; L235-S238 PolarHBondContact O-N 3.39Å; L235-D239 WeakPolarHBondContact O-CB 3.29Å; L235-D239 PolarHBondContact O-N 3.37Å
236	A	96.8	Very high	96	Very high	8 Å²	8	68.2 Å²	68.2	7%	0.066	37%	0.367	C	S	.	.	H	α-helix	trans	-65.1	-38.2	177.3	0	0	0	0	0	112.4	V228 K232 L233 D239 A240 L373	V228-A236 HydrophobicContact CB-CB 4.39Å; V228-A236 HydrophobicContact CG1-CB 3.8Å; V228-A236 HydrophobicContact CG2-CB 3.96Å; K232-A236 PolarHBondContact O-N 2.9Å; L233-A236 PolarHBondContact O-N 3.37Å; L233-A236 VanDerWaalsContact O-N 3.14Å; A236-D239 PolarHBondContact O-N 3.39Å; A236-A240 VanDerWaalsContact O-CB 3.23Å; A236-A240 WeakPolarHBondContact O-CB 3.36Å; A236-A240 PolarHBondContact O-N 3.44Å; A236-L373 HydrophobicContact CB-CD2 3.63Å
237	I	96.7	Very high	96	Very high	67 Å²	67	72 Å²	72	34%	0.344	39%	0.394	S	S	.	.	H	α-helix	trans	-62.4	-45	173.2	-69.4	168.1	0	0	0	110.2	L233 A240 T241 L373	L233-I237 HydrophobicContact CD1-CD1 3.81Å; L233-I237 HydrophobicContact CD1-CG1 3.94Å; L233-I237 HydrophobicContact CG-CD1 3.81Å; L233-I237 HydrophobicContact CG-CG1 4.38Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 2.82Å; I237-A240 WeakPolarHBondContact O-CB 3.26Å; I237-A240 PolarHBondContact O-N 2.93Å; I237-T241 WeakPolarHBondContact O-CG2 3.32Å; I237-T241 PolarHBondContact O-N 2.96Å; I237-T241 VanDerWaalsContact O-N 3.16Å; I237-L373 HydrophobicContact CG1-CD1 4.26Å
238	S	96.3	Very high	96	Very high	67 Å²	67	70.3 Å²	70.3	47%	0.469	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-36.7	177.8	-172.8	0	0	0	0	112.9	H234 L235 T241	H234-S238 PolarHBondContact O-N 3.42Å; H234-S238 VanDerWaalsContact O-N 3.08Å; L235-S238 PolarHBondContact O-N 3.39Å; S238-T241 PolarHBondContact O-OG1 3.19Å
239	D	96.3	Very high	96.1	Very high	50 Å²	50	73.2 Å²	73.2	27%	0.267	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-50.8	172.6	-177.4	24	0	0	0	109.2	L235 A236 T241 T242 I326 R328	L235-D239 WeakPolarHBondContact O-CB 3.29Å; L235-D239 PolarHBondContact O-N 3.37Å; A236-D239 PolarHBondContact O-N 3.39Å; D239-T241 PolarHBondContact O-N 3.3Å; D239-T241 VanDerWaalsContact O-N 3.09Å; D239-T242 PolarHBondContact O-N 2.94Å; D239-T242 PolarHBondContact O-OG1 2.93Å; D239-I326 HydrophobicContact CB-CD1 4.36Å; D239-R328 IonicContact OD2-CZ 2.74Å; D239-R328 IonicContact OD2-NH1 3.08Å; D239-R328 PolarHBondContact OD2-NH1 2.96Å; D239-R328 VanDerWaalsContact OD2-NH1 3.08Å; D239-R328 IonicContact OD2-NH2 2.77Å; D239-R328 PolarHBondContact OD2-NH2 3.28Å
240	A	96.8	Very high	96.4	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.008	41%	0.407	C	S	.	.	H	α-helix	trans	-52.4	-38.4	-178.4	0	0	0	0	0	112.5	A236 I237 T242 L243 R323 I326 L373	A236-A240 VanDerWaalsContact O-CB 3.23Å; A236-A240 WeakPolarHBondContact O-CB 3.36Å; A236-A240 PolarHBondContact O-N 3.44Å; I237-A240 WeakPolarHBondContact O-CB 3.26Å; I237-A240 PolarHBondContact O-N 2.93Å; A240-T242 VanDerWaalsContact C-N 3.28Å; A240-T242 PolarHBondContact O-N 3.5Å; A240-L243 PolarHBondContact O-N 3.11Å; A240-R323 VanDerWaalsContact O-CD 3.31Å; A240-R323 WeakPolarHBondContact O-CD 3.41Å; A240-R323 PolarHBondContact O-NH1 3.43Å; A240-I326 HydrophobicContact CB-CD1 3.92Å; A240-I326 HydrophobicContact CB-CG1 3.86Å; A240-L373 HydrophobicContact CB-CD1 3.89Å
241	T	95.8	Very high	96.7	Very high	85 Å²	85	67.8 Å²	67.8	52%	0.521	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.6	-179.8	60.3	0	0	0	0	114.8	I237 S238 D239 R323	I237-T241 WeakPolarHBondContact O-CG2 3.32Å; I237-T241 PolarHBondContact O-N 2.96Å; I237-T241 VanDerWaalsContact O-N 3.16Å; S238-T241 PolarHBondContact O-OG1 3.19Å; D239-T241 PolarHBondContact O-N 3.3Å; D239-T241 VanDerWaalsContact O-N 3.09Å; T241-R323 PolarHBondContact O-NH1 3.45Å; T241-R323 PolarHBondContact O-NH2 3.06Å
242	T	96.6	Very high	97	Very high	105 Å²	105	62.1 Å²	62.1	64%	0.644	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-17.3	179.3	69.6	0	0	0	0	113.1	D239 A240	D239-T242 PolarHBondContact O-N 2.94Å; D239-T242 PolarHBondContact O-OG1 2.93Å; A240-T242 VanDerWaalsContact C-N 3.28Å; A240-T242 PolarHBondContact O-N 3.5Å
243	L	97.6	Very high	97.2	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.12	32%	0.32	C	S	.	.	S	Bend	trans	-78.4	152.1	-176.6	-60.7	178.4	0	0	0	112.3	A240 A314 A316 R323 I326	A240-L243 PolarHBondContact O-N 3.11Å; L243-A314 HydrophobicContact CD1-CB 3.87Å; L243-A314 HydrophobicContact CD2-CB 4Å; L243-A316 HydrophobicContact CB-CB 4.16Å; L243-R323 PolarHBondContact O-NH1 2.9Å; L243-I326 HydrophobicContact CD1-CB 4.44Å; L243-I326 HydrophobicContact CD1-CD1 4.24Å; L243-I326 HydrophobicContact CD1-CG1 4.13Å; L243-I326 HydrophobicContact CD1-CG2 3.57Å
244	P	97.8	Very high	97.4	Very high	54 Å²	54	55.7 Å²	55.7	35%	0.351	31%	0.314	S	S	.	.			trans	-63.9	157.2	164.3	31.3	-36.4	0	0	0	110.4	L309 V315 A316	P244-L309 HydrophobicContact CB-CD2 3.64Å; P244-L309 HydrophobicContact CG-CD2 3.91Å; P244-V315 HydrophobicContact CG-CG1 4.22Å; P244-V315 WeakPolarHBondContact O-CA 3.25Å; P244-A316 PolarHBondContact O-N 3.41Å
245	T	97.6	Very high	97.6	Very high	54 Å²	54	48.7 Å²	48.7	33%	0.331	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.7	-169.6	51.6	0	0	0	0	113.3	A316	T245-A316 CarbonylContact C-O 3.48Å; T245-A316 VanDerWaalsContact CA-O 3.26Å; T245-A316 WeakPolarHBondContact CA-O 3.48Å; T245-A316 HydrophobicContact CG2-CB 4.18Å
246	I	98.3	Very high	97.7	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.041	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119	161.6	-62.5	174.3	0	0	0	107.2	I248 L299 V301 T305 L309 V315 A316 L317 E318 V366	I246-I248 HydrophobicContact CG2-CG2 4.18Å; I246-I248 PolarHBondContact O-N 3Å; I246-L299 HydrophobicContact CG2-CD2 4.46Å; I246-V301 HydrophobicContact CD1-CG1 4.21Å; I246-V301 HydrophobicContact CG2-CG1 4.14Å; I246-T305 HydrophobicContact CG1-CG2 4.2Å; I246-L309 HydrophobicContact CD1-CD1 3.73Å; I246-L309 HydrophobicContact CG1-CD1 3.3Å; I246-V315 HydrophobicContact CD1-CB 4.45Å; I246-V315 HydrophobicContact CD1-CG2 3.76Å; I246-V315 HydrophobicContact CG1-CG2 4.31Å; I246-A316 PolarHBondContact N-O 3Å; I246-L317 HydrophobicContact CB-CD2 3.99Å; I246-L317 HydrophobicContact CD1-CD2 4.35Å; I246-E318 PolarHBondContact O-N 3Å; I246-V366 HydrophobicContact CD1-CG1 4.21Å
247	S	98	Very high	97.8	Very high	97 Å²	97	42.5 Å²	42.5	68%	0.678	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.1	171.4	-62.7	0	0	0	0	109.9	E318	S247-E318 WeakPolarHBondContact CA-O 3.08Å
248	I	98.5	Very high	97.9	Very high	13 Å²	13	39.3 Å²	39.3	7%	0.067	23%	0.231	C	C	.	.			trans	-112.1	152.4	-177.2	68.1	165.9	0	0	0	111.7	I246 D252 L253 V256 L299 L317 E318 Y319 V324	I246-I248 HydrophobicContact CG2-CG2 4.18Å; I246-I248 PolarHBondContact O-N 3Å; I248-D252 HydrophobicContact CB-CB 3.78Å; I248-D252 HydrophobicContact CD1-CB 4.42Å; I248-D252 HydrophobicContact CG2-CB 4.44Å; I248-L253 HydrophobicContact CD1-CB 4.28Å; I248-L253 HydrophobicContact CD1-CD1 4.23Å; I248-V256 HydrophobicContact CD1-CG2 4.15Å; I248-L299 HydrophobicContact CG2-CD1 4.1Å; I248-L317 HydrophobicContact CD1-CB 4.29Å; I248-L317 HydrophobicContact CG2-CB 4.14Å; I248-L317 HydrophobicContact CG2-CD2 4.22Å; I248-E318 WeakPolarHBondContact CG1-O 3.32Å; I248-E318 PolarHBondContact N-O 3.18Å; I248-Y319 HydrophobicContact CG1-CD2 4.48Å; I248-V324 HydrophobicContact CD1-CG2 3.91Å
249	T	98.3	Very high	98	Very high	76 Å²	76	36.2 Å²	36.2	47%	0.466	21%	0.209	S	C	.	.			trans	-83.7	174.4	176.9	72.5	0	0	0	0	111.8	L251 D252 L253	T249-L251 VanDerWaalsContact C-N 3.26Å; T249-L251 PolarHBondContact O-N 2.97Å; T249-L251 PolarHBondContact OG1-N 2.97Å; T249-D252 VanDerWaalsContact CB-OD2 3.27Å; T249-D252 WeakPolarHBondContact CB-OD2 3.2Å; T249-D252 WeakPolarHBondContact CG2-OD2 3.28Å; T249-D252 PolarHBondContact N-OD2 3.23Å; T249-D252 PolarHBondContact O-N 3.01Å; T249-D252 PolarHBondContact OG1-N 3.25Å; T249-D252 PolarHBondContact OG1-OD2 3.06Å; T249-L253 PolarHBondContact O-N 3.48Å
250	K	98.4	Very high	98.2	Very high	115 Å²	115	33.9 Å²	33.9	50%	0.5	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-34.6	172.1	-174.4	174.9	179.2	178.6	0	112.2	L253 Q254 Y319 W378	K250-L253 PolarHBondContact O-N 3.48Å; K250-Q254 WeakPolarHBondContact O-CG 3.5Å; K250-Q254 PolarHBondContact O-N 3.19Å; K250-Q254 VanDerWaalsContact O-N 3.13Å; K250-Y319 HydrophobicContact CB-CE2 3.99Å; K250-W378 HydrophobicContact CD-CZ3 4.11Å; K250-W378 HydrophobicContact CG-CH2 3.95Å; K250-W378 HydrophobicContact CG-CZ3 3.74Å
251	L	98.4	Very high	98.2	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-43.3	177	-178.2	70.6	0	0	0	110.3	T249 Q254 W255 Y354 M357 W446 P483	T249-L251 VanDerWaalsContact C-N 3.26Å; T249-L251 PolarHBondContact O-N 2.97Å; T249-L251 PolarHBondContact OG1-N 2.97Å; L251-Q254 WeakPolarHBondContact O-CB 2.99Å; L251-Q254 PolarHBondContact O-N 2.87Å; L251-W255 PolarHBondContact O-N 2.8Å; L251-W255 VanDerWaalsContact O-N 3.14Å; L251-Y354 HydrophobicContact CD1-CE2 4.22Å; L251-M357 HydrophobicContact CD2-CE 4.04Å; L251-M357 HydrophobicContact CD2-SD 4.03Å; L251-W446 HydrophobicContact CD1-CB 3.73Å; L251-W446 HydrophobicContact CD1-CG 4.25Å; L251-P483 HydrophobicContact CD1-CB 3.56Å; L251-P483 HydrophobicContact CD1-CG 3.53Å
252	D	98.7	Very high	98.3	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-40.7	177.4	-56.3	-45.1	0	0	0	111	I248 T249 Q254 W255 V256 L299	I248-D252 HydrophobicContact CB-CB 3.78Å; I248-D252 HydrophobicContact CD1-CB 4.42Å; I248-D252 HydrophobicContact CG2-CB 4.44Å; T249-D252 VanDerWaalsContact CB-OD2 3.27Å; T249-D252 WeakPolarHBondContact CB-OD2 3.2Å; T249-D252 WeakPolarHBondContact CG2-OD2 3.28Å; T249-D252 PolarHBondContact N-OD2 3.23Å; T249-D252 PolarHBondContact O-N 3.01Å; T249-D252 PolarHBondContact OG1-N 3.25Å; T249-D252 PolarHBondContact OG1-OD2 3.06Å; D252-Q254 VanDerWaalsContact C-N 3.27Å; D252-Q254 PolarHBondContact O-N 2.95Å; D252-W255 CarbonylContact O-C 3.46Å; D252-W255 WeakPolarHBondContact O-CA 3.44Å; D252-W255 WeakPolarHBondContact O-CB 3.4Å; D252-W255 PolarHBondContact O-N 2.85Å; D252-V256 WeakPolarHBondContact O-CG2 3.43Å; D252-V256 PolarHBondContact O-N 3.38Å; D252-L299 HydrophobicContact CB-CD1 4.1Å
253	L	98.8	Very high	98.4	Very high	11 Å²	11	24.9 Å²	24.9	6%	0.058	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-35.5	174.6	-173.6	69.2	0	0	0	112.4	I248 T249 K250 W255 V256 Q257 Y319 V324 I376 W378	I248-L253 HydrophobicContact CD1-CB 4.28Å; I248-L253 HydrophobicContact CD1-CD1 4.23Å; T249-L253 PolarHBondContact O-N 3.48Å; K250-L253 PolarHBondContact O-N 3.48Å; L253-W255 VanDerWaalsContact C-N 3.35Å; L253-V256 WeakPolarHBondContact O-CB 3.2Å; L253-V256 PolarHBondContact O-N 3.12Å; L253-Q257 PolarHBondContact O-N 3.41Å; L253-Y319 HydrophobicContact CB-CD2 4.32Å; L253-Y319 HydrophobicContact CB-CG 4.45Å; L253-Y319 HydrophobicContact CD2-CD1 3.54Å; L253-Y319 HydrophobicContact CD2-CD2 4.31Å; L253-Y319 HydrophobicContact CD2-CE1 3.65Å; L253-Y319 HydrophobicContact CD2-CE2 4.43Å; L253-Y319 HydrophobicContact CD2-CG 3.86Å; L253-V324 HydrophobicContact CD1-CB 4.26Å; L253-V324 HydrophobicContact CD1-CG1 4.14Å; L253-V324 HydrophobicContact CD1-CG2 3.95Å; L253-I376 HydrophobicContact CD1-CD1 3.92Å; L253-I376 HydrophobicContact CD2-CG2 4.34Å; L253-I376 HydrophobicContact CG-CG2 4.24Å; L253-W378 HydrophobicContact CB-CH2 4.44Å; L253-W378 HydrophobicContact CD2-CH2 3.93Å; L253-W378 HydrophobicContact CD2-CZ3 4.19Å; L253-W378 HydrophobicContact CG-CH2 4.28Å
254	Q	98.8	Very high	98.4	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.056	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-39.7	173.1	-69.6	167.6	-9.2	0	0	111.4	K250 L251 D252 Q257 V258 W378 P483	K250-Q254 WeakPolarHBondContact O-CG 3.5Å; K250-Q254 PolarHBondContact O-N 3.19Å; K250-Q254 VanDerWaalsContact O-N 3.13Å; L251-Q254 WeakPolarHBondContact O-CB 2.99Å; L251-Q254 PolarHBondContact O-N 2.87Å; D252-Q254 VanDerWaalsContact C-N 3.27Å; D252-Q254 PolarHBondContact O-N 2.95Å; Q254-Q257 WeakPolarHBondContact O-CB 3.35Å; Q254-Q257 PolarHBondContact O-N 3.12Å; Q254-V258 WeakPolarHBondContact O-CG2 3.47Å; Q254-V258 PolarHBondContact O-N 3.41Å; Q254-W378 HydrophobicContact CB-CZ2 4.45Å; Q254-W378 HydrophobicContact CG-CH2 3.51Å; Q254-W378 HydrophobicContact CG-CZ2 3.44Å; Q254-W378 VanDerWaalsContact CG-CZ2 3.44Å; Q254-P483 HydrophobicContact CB-CG 3.88Å
255	W	98.9	Very high	98.1	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-36.6	173.1	-74.6	123.5	0	0	0	113	L251 D252 L253 Q257 V258 L259 F270 V295 I297 Y354 P483 M485 W494	L251-W255 PolarHBondContact O-N 2.8Å; L251-W255 VanDerWaalsContact O-N 3.14Å; D252-W255 CarbonylContact O-C 3.46Å; D252-W255 WeakPolarHBondContact O-CA 3.44Å; D252-W255 WeakPolarHBondContact O-CB 3.4Å; D252-W255 PolarHBondContact O-N 2.85Å; L253-W255 VanDerWaalsContact C-N 3.35Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.4Å; W255-V258 HydrophobicContact CE3-CB 4.02Å; W255-V258 HydrophobicContact CE3-CG1 3.97Å; W255-V258 HydrophobicContact CE3-CG2 4.06Å; W255-V258 HydrophobicContact CZ3-CB 4.5Å; W255-V258 HydrophobicContact CZ3-CG1 4.07Å; W255-V258 HydrophobicContact CZ3-CG2 4.35Å; W255-V258 WeakPolarHBondContact O-CB 3.39Å; W255-V258 PolarHBondContact O-N 3.08Å; W255-L259 WeakPolarHBondContact O-CG 3.46Å; W255-L259 PolarHBondContact O-N 2.83Å; W255-F270 HydrophobicContact CB-CE1 4.02Å; W255-F270 HydrophobicContact CB-CZ 4.43Å; W255-V295 HydrophobicContact CH2-CG2 4.46Å; W255-I297 HydrophobicContact CD2-CG2 4.38Å; W255-I297 HydrophobicContact CE3-CD1 4.48Å; W255-I297 HydrophobicContact CE3-CG1 4.18Å; W255-I297 HydrophobicContact CE3-CG2 3.9Å; W255-I297 HydrophobicContact CH2-CG1 4.49Å; W255-I297 HydrophobicContact CZ3-CD1 4.15Å; W255-I297 HydrophobicContact CZ3-CG1 3.89Å; W255-I297 HydrophobicContact CZ3-CG2 4.48Å; W255-Y354 WeakPolarHBondContact CZ2-OH 3.26Å; W255-Y354 PolarHBondContact NE1-OH 3.22Å; W255-P483 HydrophobicContact CD2-CG 4.1Å; W255-P483 HydrophobicContact CG-CG 4.36Å; W255-P483 HydrophobicContact CZ2-CB 4.21Å; W255-P483 HydrophobicContact CZ2-CG 4.05Å; W255-M485 HydrophobicContact CH2-CE 3.84Å; W255-M485 HydrophobicContact CH2-SD 3.93Å; W255-M485 HydrophobicContact CZ2-CE 4.15Å; W255-M485 HydrophobicContact CZ2-SD 3.92Å; W255-W494 HydrophobicContact CZ3-CZ2 4.16Å
256	V	98.9	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.6	-45.8	169.7	170.9	0	0	0	0	109.7	I248 D252 L253 L259 A260 F270 L317 A325 L370 V372	I248-V256 HydrophobicContact CD1-CG2 4.15Å; D252-V256 WeakPolarHBondContact O-CG2 3.43Å; D252-V256 PolarHBondContact O-N 3.38Å; L253-V256 WeakPolarHBondContact O-CB 3.2Å; L253-V256 PolarHBondContact O-N 3.12Å; V256-L259 PolarHBondContact O-N 3.26Å; V256-A260 VanDerWaalsContact O-CB 3.22Å; V256-A260 WeakPolarHBondContact O-CB 3.26Å; V256-A260 PolarHBondContact O-N 3.09Å; V256-F270 HydrophobicContact CG2-CE2 3.99Å; V256-F270 HydrophobicContact CG2-CZ 3.84Å; V256-L317 HydrophobicContact CG2-CD1 4.03Å; V256-A325 HydrophobicContact CG1-CB 4.46Å; V256-L370 HydrophobicContact CG1-CD2 4.41Å; V256-V372 HydrophobicContact CG1-CG1 4.18Å; V256-V372 HydrophobicContact CG1-CG2 3.82Å
257	Q	98.9	Very high	97.7	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-44.8	175.8	-176.6	178.9	8.8	0	0	112.5	L253 Q254 W255 L259 A260 E261 I376 P481	L253-Q257 PolarHBondContact O-N 3.41Å; Q254-Q257 WeakPolarHBondContact O-CB 3.35Å; Q254-Q257 PolarHBondContact O-N 3.12Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.4Å; Q257-L259 VanDerWaalsContact C-N 3.29Å; Q257-L259 PolarHBondContact O-N 3.14Å; Q257-A260 PolarHBondContact O-N 3.19Å; Q257-E261 HydrophobicContact CG-CG 4.27Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.19Å; Q257-E261 PolarHBondContact NE2-OE1 3.08Å; Q257-E261 WeakPolarHBondContact O-CG 3.18Å; Q257-E261 PolarHBondContact O-N 3.25Å; Q257-I376 HydrophobicContact CB-CB 4.13Å; Q257-I376 HydrophobicContact CB-CG1 4.09Å; Q257-I376 HydrophobicContact CB-CG2 4.3Å; Q257-I376 HydrophobicContact CG-CB 4.13Å; Q257-I376 HydrophobicContact CG-CG1 4.47Å; Q257-P481 HydrophobicContact CG-CB 3.96Å; Q257-P481 HydrophobicContact CG-CG 4.27Å
258	V	98.9	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.7	-46.2	176.6	165.9	0	0	0	0	111.2	Q254 W255 W263 I297 P481 W494	Q254-V258 WeakPolarHBondContact O-CG2 3.47Å; Q254-V258 PolarHBondContact O-N 3.41Å; W255-V258 HydrophobicContact CE3-CB 4.02Å; W255-V258 HydrophobicContact CE3-CG1 3.97Å; W255-V258 HydrophobicContact CE3-CG2 4.06Å; W255-V258 HydrophobicContact CZ3-CB 4.5Å; W255-V258 HydrophobicContact CZ3-CG1 4.07Å; W255-V258 HydrophobicContact CZ3-CG2 4.35Å; W255-V258 WeakPolarHBondContact O-CB 3.39Å; W255-V258 PolarHBondContact O-N 3.08Å; V258-W263 HydrophobicContact CG1-CB 3.96Å; V258-W263 WeakPolarHBondContact O-CB 3.41Å; V258-W263 PolarHBondContact O-N 3.2Å; V258-W263 VanDerWaalsContact O-N 3.14Å; V258-I297 HydrophobicContact CG1-CD1 4.47Å; V258-P481 HydrophobicContact CG2-CG 4.21Å; V258-W494 HydrophobicContact CG1-CH2 3.64Å; V258-W494 HydrophobicContact CG1-CZ2 3.56Å
259	L	98.8	Very high	97.6	Very high	3 Å²	3	22 Å²	22	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-67.8	-47.9	177.5	-73.7	169.4	0	0	0	111.3	L226 W255 V256 Q257 E261 G262 A264 L267 G269 F270 I297 L370	L226-L259 HydrophobicContact CD1-CB 4.03Å; W255-L259 WeakPolarHBondContact O-CG 3.46Å; W255-L259 PolarHBondContact O-N 2.83Å; V256-L259 PolarHBondContact O-N 3.26Å; Q257-L259 VanDerWaalsContact C-N 3.29Å; Q257-L259 PolarHBondContact O-N 3.14Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.41Å; L259-G262 PolarHBondContact O-N 2.6Å; L259-A264 HydrophobicContact CD2-CB 4.07Å; L259-L267 HydrophobicContact CD2-CB 4.12Å; L259-L267 HydrophobicContact CD2-CD1 4.18Å; L259-G269 WeakPolarHBondContact CD2-O 3.48Å; L259-F270 HydrophobicContact CD1-CD1 3.81Å; L259-F270 HydrophobicContact CD1-CD2 4.26Å; L259-F270 HydrophobicContact CD1-CE1 3.89Å; L259-F270 HydrophobicContact CD1-CE2 4.3Å; L259-F270 HydrophobicContact CD1-CG 4.02Å; L259-F270 HydrophobicContact CD1-CZ 4.13Å; L259-I297 HydrophobicContact CD1-CG2 3.88Å; L259-I297 HydrophobicContact CD2-CG2 3.96Å; L259-I297 HydrophobicContact CG-CG2 3.88Å; L259-L370 HydrophobicContact CB-CD2 4Å; L259-L370 HydrophobicContact CD1-CD2 3.91Å
260	A	98.6	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.1	-44.7	-177	0	0	0	0	0	112.8	E225 L226 F227 V256 Q257 G262 V372	E225-A260 CarbonylContact C-O 3.58Å; E225-A260 WeakPolarHBondContact CA-O 3.38Å; E225-A260 WeakPolarHBondContact CB-O 3.48Å; L226-A260 PolarHBondContact N-O 3.41Å; F227-A260 HydrophobicContact CD1-CB 4.09Å; F227-A260 HydrophobicContact CE1-CB 3.47Å; F227-A260 VanDerWaalsContact CE1-CB 3.47Å; F227-A260 HydrophobicContact CE2-CB 4.2Å; F227-A260 WeakPolarHBondContact CE2-O 3.38Å; F227-A260 HydrophobicContact CZ-CB 3.53Å; V256-A260 VanDerWaalsContact O-CB 3.22Å; V256-A260 WeakPolarHBondContact O-CB 3.26Å; V256-A260 PolarHBondContact O-N 3.09Å; Q257-A260 PolarHBondContact O-N 3.19Å; A260-G262 PolarHBondContact O-N 3.07Å; A260-V372 HydrophobicContact CB-CB 3.92Å; A260-V372 HydrophobicContact CB-CG1 3.95Å; A260-V372 HydrophobicContact CB-CG2 3.7Å
261	E	98.6	Very high	97.7	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.4	-177.9	-62.7	176.5	-175	0	0	112.7	V223 F227 Q257 L259 W263 T388 P389	V223-E261 WeakPolarHBondContact CG1-O 3.26Å; F227-E261 HydrophobicContact CE2-CG 4.13Å; F227-E261 HydrophobicContact CZ-CG 3.94Å; Q257-E261 HydrophobicContact CG-CG 4.27Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.19Å; Q257-E261 PolarHBondContact NE2-OE1 3.08Å; Q257-E261 WeakPolarHBondContact O-CG 3.18Å; Q257-E261 PolarHBondContact O-N 3.25Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.41Å; E261-W263 PolarHBondContact OE2-NE1 3.09Å; E261-T388 HydrophobicContact CB-CG2 4.21Å; E261-T388 HydrophobicContact CG-CG2 3.8Å; E261-P389 WeakPolarHBondContact O-CD 3.42Å; E261-P389 WeakPolarHBondContact O-CG 3.44Å
262	G	97.4	Very high	97.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	17.8	175.5	0	0	0	0	0	115.1	N224 L259 A260 A264 S265	N224-G262 WeakPolarHBondContact O-CA 3.42Å; L259-G262 PolarHBondContact O-N 2.6Å; A260-G262 PolarHBondContact O-N 3.07Å; G262-A264 PolarHBondContact O-N 3.35Å; G262-S265 WeakPolarHBondContact O-CB 3.4Å; G262-S265 PolarHBondContact O-N 3.14Å; G262-S265 VanDerWaalsContact O-N 3.13Å; G262-S265 PolarHBondContact O-OG 3.29Å
263	W	98.1	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.6	174.8	-66.5	98	0	0	0	112.8	V258 E261 P389 L392 H441 F480 W494 A498 A502	V258-W263 HydrophobicContact CG1-CB 3.96Å; V258-W263 WeakPolarHBondContact O-CB 3.41Å; V258-W263 PolarHBondContact O-N 3.2Å; V258-W263 VanDerWaalsContact O-N 3.14Å; E261-W263 PolarHBondContact OE2-NE1 3.09Å; W263-P389 HydrophobicContact CD2-CG 3.6Å; W263-P389 HydrophobicContact CE3-CG 3.78Å; W263-P389 HydrophobicContact CG-CG 4.1Å; W263-P389 HydrophobicContact CH2-CG 4.1Å; W263-P389 HydrophobicContact CZ2-CG 3.95Å; W263-P389 HydrophobicContact CZ3-CG 4.04Å; W263-L392 HydrophobicContact CH2-CD1 3.69Å; W263-L392 HydrophobicContact CZ2-CD1 4.45Å; W263-H441 AromaticContact CH2-CE1 3.45Å; W263-H441 VanDerWaalsContact CH2-CE1 3.45Å; W263-H441 WeakPolarHBondContact CH2-CE1 3.5Å; W263-H441 AromaticContact CH2-NE2 3.72Å; W263-H441 AromaticContact CZ3-CE1 3.83Å; W263-F480 HydrophobicContact CB-CE2 4.42Å; W263-F480 AromaticContact CD2-CD2 3.91Å; W263-F480 HydrophobicContact CD2-CD2 3.91Å; W263-F480 AromaticContact CD2-CE2 3.66Å; W263-F480 HydrophobicContact CD2-CE2 3.66Å; W263-F480 AromaticContact CE3-CD2 3.8Å; W263-F480 HydrophobicContact CE3-CD2 3.8Å; W263-F480 AromaticContact CE3-CE2 3.56Å; W263-F480 HydrophobicContact CE3-CE2 3.56Å; W263-F480 HydrophobicContact CG-CE2 4.06Å; W263-F480 HydrophobicContact CH2-CD2 4.08Å; W263-F480 HydrophobicContact CZ2-CD2 4.18Å; W263-F480 AromaticContact CZ3-CD2 3.88Å; W263-F480 HydrophobicContact CZ3-CD2 3.88Å; W263-F480 HydrophobicContact CZ3-CE2 4.08Å; W263-W494 HydrophobicContact CB-CH2 4.08Å; W263-A498 HydrophobicContact CE3-CB 3.94Å; W263-A498 WeakPolarHBondContact CZ3-O 3.33Å; W263-A502 HydrophobicContact CH2-CB 4.23Å; W263-A502 HydrophobicContact CZ3-CB 3.81Å
264	A	96.9	Very high	97.7	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.017	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	23.7	178.9	0	0	0	0	0	113.4	L259 G262 L267 M293 I297 W494	L259-A264 HydrophobicContact CD2-CB 4.07Å; G262-A264 PolarHBondContact O-N 3.35Å; A264-L267 HydrophobicContact CB-CB 4.44Å; A264-L267 HydrophobicContact CB-CD1 3.94Å; A264-L267 HydrophobicContact CB-CG 4.46Å; A264-L267 WeakPolarHBondContact O-CB 3.49Å; A264-L267 WeakPolarHBondContact O-CG 3.42Å; A264-L267 PolarHBondContact O-N 3.37Å; A264-M293 HydrophobicContact CB-CE 4.33Å; A264-M293 WeakPolarHBondContact O-CE 3.39Å; A264-I297 HydrophobicContact CB-CD1 3.43Å; A264-I297 VanDerWaalsContact CB-CD1 3.43Å; A264-W494 HydrophobicContact CB-CH2 3.94Å; A264-W494 HydrophobicContact CB-CZ3 4.09Å
265	S	93.2	Very high	97.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.4	178.6	-65.2	0	0	0	0	111.4	N224 G262 R497	N224-S265 PolarHBondContact N-OG 3.46Å; G262-S265 WeakPolarHBondContact O-CB 3.4Å; G262-S265 PolarHBondContact O-N 3.14Å; G262-S265 VanDerWaalsContact O-N 3.13Å; G262-S265 PolarHBondContact O-OG 3.29Å; S265-R497 PolarHBondContact O-NH2 3.48Å
266	P	92.2	Very high	97.6	Very high	47 Å²	47	26.4 Å²	26.4	31%	0.305	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	cis	-102.9	21.8	16.2	41.2	-38.8	0	0	0	115.3	K268 I291	P266-K268 PolarHBondContact O-N 3.35Å; P266-I291 HydrophobicContact CG-CD1 3.61Å
267	L	95.1	Very high	97.6	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	14%	0.136	C	C	.	.			trans	-52.9	139.1	178.9	-71.5	-179.7	0	0	0	111.1	N224 L259 A264 M271 L285 M293 I297	N224-L267 PolarHBondContact ND2-O 2.96Å; L259-L267 HydrophobicContact CD2-CB 4.12Å; L259-L267 HydrophobicContact CD2-CD1 4.18Å; A264-L267 HydrophobicContact CB-CB 4.44Å; A264-L267 HydrophobicContact CB-CD1 3.94Å; A264-L267 HydrophobicContact CB-CG 4.46Å; A264-L267 WeakPolarHBondContact O-CB 3.49Å; A264-L267 WeakPolarHBondContact O-CG 3.42Å; A264-L267 PolarHBondContact O-N 3.37Å; L267-M271 HydrophobicContact CD1-CE 3.71Å; L267-M271 HydrophobicContact CD1-CG 4.02Å; L267-M271 HydrophobicContact CD2-CG 4.14Å; L267-L285 HydrophobicContact CD2-CD1 3.69Å; L267-L285 HydrophobicContact CD2-CD2 4.34Å; L267-L285 HydrophobicContact CG-CD1 4.16Å; L267-M293 HydrophobicContact CD1-CE 4.38Å; L267-M293 HydrophobicContact CG-CE 4.31Å; L267-I297 HydrophobicContact CD1-CB 4.37Å; L267-I297 HydrophobicContact CD1-CD1 4.1Å
268	K	96.1	Very high	97.6	Very high	132 Å²	132	30.4 Å²	30.4	57%	0.574	14%	0.139	S	C	*	.			trans	-93.5	-3.3	178	-63	-176.9	-178.7	177.8	0	113.1	L226 P266 L370	L226-K268 WeakPolarHBondContact CD1-O 3.5Å; P266-K268 PolarHBondContact O-N 3.35Å; K268-L370 PolarHBondContact O-N 3.2Å
269	G	98.5	Very high	97.6	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.031	14%	0.14	C	C	.	.	S	Bend	trans	167	-154.6	-179.5	0	0	0	0	0	110.8	L259 G368 L370	L259-G269 WeakPolarHBondContact CD2-O 3.48Å; G269-G368 WeakPolarHBondContact CA-O 3.33Å; G269-L370 VanDerWaalsContact CA-CB 3.49Å
270	F	98.9	Very high	97.5	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	14%	0.144	C	C	.	.	S	Bend	trans	-64	138.7	172.2	-70.8	-72.9	0	0	0	110.1	W255 V256 L259 R272 I297 V298 L299 L317 L327 G367 G368 L370	W255-F270 HydrophobicContact CB-CE1 4.02Å; W255-F270 HydrophobicContact CB-CZ 4.43Å; V256-F270 HydrophobicContact CG2-CE2 3.99Å; V256-F270 HydrophobicContact CG2-CZ 3.84Å; L259-F270 HydrophobicContact CD1-CD1 3.81Å; L259-F270 HydrophobicContact CD1-CD2 4.26Å; L259-F270 HydrophobicContact CD1-CE1 3.89Å; L259-F270 HydrophobicContact CD1-CE2 4.3Å; L259-F270 HydrophobicContact CD1-CG 4.02Å; L259-F270 HydrophobicContact CD1-CZ 4.13Å; F270-R272 PolarHBondContact O-N 2.9Å; F270-I297 HydrophobicContact CD1-CG2 4.33Å; F270-V298 VanDerWaalsContact CD1-C 3.44Å; F270-L299 HydrophobicContact CB-CB 4.39Å; F270-L299 HydrophobicContact CD1-CB 3.9Å; F270-L299 HydrophobicContact CD2-CB 3.85Å; F270-L299 HydrophobicContact CD2-CD2 4.2Å; F270-L299 HydrophobicContact CE1-CB 4.05Å; F270-L299 HydrophobicContact CE2-CB 4.02Å; F270-L299 HydrophobicContact CE2-CD2 4.05Å; F270-L299 HydrophobicContact CE2-CG 4.46Å; F270-L299 HydrophobicContact CG-CB 3.78Å; F270-L299 HydrophobicContact CZ-CB 4.11Å; F270-L299 HydrophobicContact CZ-CD1 4.41Å; F270-L317 HydrophobicContact CE2-CD1 3.89Å; F270-L327 HydrophobicContact CD2-CD1 4.39Å; F270-G367 VanDerWaalsContact O-CA 3.24Å; F270-G367 WeakPolarHBondContact O-CA 3.41Å; F270-G368 PolarHBondContact O-N 2.85Å; F270-L370 HydrophobicContact CD2-CD1 4.49Å; F270-L370 HydrophobicContact CE2-CD1 4.41Å; F270-L370 HydrophobicContact CE2-CD2 4.45Å
271	M	98.8	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-56.6	134.7	-172.7	-70.4	173.7	179.1	0	0	111.6	L267 E275 F276 V279 M293 V295 I297 V298 Y333 G367	L267-M271 HydrophobicContact CD1-CE 3.71Å; L267-M271 HydrophobicContact CD1-CG 4.02Å; L267-M271 HydrophobicContact CD2-CG 4.14Å; M271-E275 VanDerWaalsContact CA-OE2 3.31Å; M271-E275 WeakPolarHBondContact CA-OE2 3.24Å; M271-E275 HydrophobicContact CB-CB 3.97Å; M271-E275 HydrophobicContact CG-CB 4.05Å; M271-F276 HydrophobicContact CB-CB 4.36Å; M271-V279 HydrophobicContact CE-CB 4.23Å; M271-V279 HydrophobicContact CE-CG1 4.23Å; M271-V279 HydrophobicContact CE-CG2 3.43Å; M271-V279 VanDerWaalsContact CE-CG2 3.43Å; M271-V279 HydrophobicContact SD-CB 4.23Å; M271-V279 HydrophobicContact SD-CG1 4.43Å; M271-V279 HydrophobicContact SD-CG2 3.85Å; M271-M293 HydrophobicContact CE-CG 3.61Å; M271-M293 HydrophobicContact CE-SD 4.38Å; M271-V295 WeakPolarHBondContact CE-O 3.47Å; M271-I297 HydrophobicContact CE-CB 4.21Å; M271-I297 HydrophobicContact CE-CG1 4.25Å; M271-I297 WeakPolarHBondContact CG-O 3.48Å; M271-I297 PolarHBondContact N-O 3.29Å; M271-I297 PolarHBondContact SD-N 3.13Å; M271-I297 VanDerWaalsContact SD-N 3.44Å; M271-V298 HydrophobicContact CB-CG1 4.08Å; M271-Y333 PolarHBondContact O-OH 2.91Å; M271-G367 WeakPolarHBondContact O-CA 3.47Å
272	R	98.8	Very high	97.4	Very high	56 Å²	56	41.5 Å²	41.5	21%	0.211	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-72.9	169.6	163.4	-65.9	-179.1	179.4	-74.8	-4.4	110.5	F270 R274 E275 F276 N329 E331 D369	F270-R272 PolarHBondContact O-N 2.9Å; R272-R274 PolarHBondContact O-N 3.02Å; R272-E275 PolarHBondContact N-OE2 2.88Å; R272-E275 PolarHBondContact O-N 2.93Å; R272-E275 VanDerWaalsContact O-N 3.14Å; R272-F276 WeakPolarHBondContact O-CB 3.23Å; R272-F276 PolarHBondContact O-N 3.4Å; R272-N329 PolarHBondContact NH1-O 3.16Å; R272-N329 PolarHBondContact NH2-O 3.49Å; R272-E331 WeakPolarHBondContact CB-OE2 3.45Å; R272-E331 WeakPolarHBondContact CD-OE2 3.43Å; R272-E331 WeakPolarHBondContact CG-OE2 3.4Å; R272-E331 IonicContact NH1-OE2 3.38Å; R272-E331 PolarHBondContact NH1-OE2 2.95Å; R272-D369 IonicContact NH2-OD2 3.95Å
273	E	98.6	Very high	97.4	Very high	89 Å²	89	42.1 Å²	42.1	42%	0.416	20%	0.195	S	C	.	.	H	α-helix	trans	-58	-41.9	-176.7	-173.4	173.4	-135.9	0	0	111.5	E275 F276 L277 E331 Y333	E273-E275 PolarHBondContact O-N 3.13Å; E273-F276 PolarHBondContact O-N 3.22Å; E273-L277 HydrophobicContact CG-CD1 4.03Å; E273-L277 HydrophobicContact CG-CG 4.32Å; E273-L277 WeakPolarHBondContact O-CB 3.14Å; E273-L277 VanDerWaalsContact O-CG 3.29Å; E273-L277 WeakPolarHBondContact O-CG 3.41Å; E273-L277 PolarHBondContact O-N 2.91Å; E273-E331 VanDerWaalsContact CB-OE1 3.24Å; E273-E331 WeakPolarHBondContact CB-OE1 3.06Å; E273-E331 PolarHBondContact N-OE1 2.97Å; E273-Y333 HydrophobicContact CB-CD1 3.96Å; E273-Y333 HydrophobicContact CB-CD2 3.91Å; E273-Y333 HydrophobicContact CB-CE1 4.45Å; E273-Y333 HydrophobicContact CB-CE2 4.37Å; E273-Y333 HydrophobicContact CB-CG 3.69Å; E273-Y333 HydrophobicContact CG-CD2 3.88Å; E273-Y333 HydrophobicContact CG-CG 4.01Å
274	R	98.3	Very high	97.2	Very high	153 Å²	153	42.4 Å²	42.4	58%	0.577	20%	0.197	S	C	*	.	H	α-helix	trans	-58	-47.1	178	-179.6	175.7	177.1	86.1	1.6	112.5	R272 Q278 D287	R272-R274 PolarHBondContact O-N 3.02Å; R274-Q278 VanDerWaalsContact O-CG 3.25Å; R274-Q278 WeakPolarHBondContact O-CG 3.43Å; R274-Q278 PolarHBondContact O-N 3.33Å; R274-Q278 VanDerWaalsContact O-N 3.13Å; R274-D287 IonicContact CZ-OD1 3.31Å; R274-D287 IonicContact CZ-OD2 3.45Å; R274-D287 IonicContact NE-OD1 2.75Å; R274-D287 PolarHBondContact NE-OD1 2.98Å; R274-D287 IonicContact NE-OD2 3.58Å; R274-D287 PolarHBondContact NE-OD2 3.45Å; R274-D287 IonicContact NH2-OD1 3.74Å; R274-D287 PolarHBondContact NH2-OD1 3.36Å; R274-D287 IonicContact NH2-OD2 2.69Å
275	E	98.4	Very high	96.9	Very high	47 Å²	47	42.8 Å²	42.8	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-69.5	-43.5	-179.4	-63.7	164.6	144.5	0	0	110.5	M271 R272 E273 L277 Q278 V279 L285	M271-E275 VanDerWaalsContact CA-OE2 3.31Å; M271-E275 WeakPolarHBondContact CA-OE2 3.24Å; M271-E275 HydrophobicContact CB-CB 3.97Å; M271-E275 HydrophobicContact CG-CB 4.05Å; R272-E275 PolarHBondContact N-OE2 2.88Å; R272-E275 PolarHBondContact O-N 2.93Å; R272-E275 VanDerWaalsContact O-N 3.14Å; E273-E275 PolarHBondContact O-N 3.13Å; E275-L277 VanDerWaalsContact C-N 3.35Å; E275-L277 PolarHBondContact O-N 3.4Å; E275-Q278 PolarHBondContact O-N 3.12Å; E275-V279 WeakPolarHBondContact O-CB 3.26Å; E275-V279 VanDerWaalsContact O-CG2 3.31Å; E275-V279 WeakPolarHBondContact O-CG2 3.25Å; E275-V279 PolarHBondContact O-N 3.36Å; E275-L285 HydrophobicContact CB-CD2 3.86Å; E275-L285 HydrophobicContact CG-CD2 4.16Å
276	F	98.8	Very high	96.6	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-55.8	-47.5	175.9	170.4	-103.8	0	0	0	112	M271 R272 E273 V279 L280 P296 V298 Y333 R340 L365	M271-F276 HydrophobicContact CB-CB 4.36Å; R272-F276 WeakPolarHBondContact O-CB 3.23Å; R272-F276 PolarHBondContact O-N 3.4Å; E273-F276 PolarHBondContact O-N 3.22Å; F276-V279 PolarHBondContact O-N 2.85Å; F276-L280 HydrophobicContact CE1-CD2 4.09Å; F276-L280 HydrophobicContact CZ-CD2 3.83Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.41Å; F276-L280 PolarHBondContact O-N 2.84Å; F276-P296 HydrophobicContact CD2-CB 3.94Å; F276-P296 HydrophobicContact CD2-CG 4.28Å; F276-P296 HydrophobicContact CE2-CB 3.95Å; F276-P296 HydrophobicContact CE2-CG 4.03Å; F276-V298 HydrophobicContact CD2-CG1 3.88Å; F276-Y333 HydrophobicContact CB-CE2 3.92Å; F276-Y333 HydrophobicContact CD1-CD2 4.46Å; F276-Y333 AromaticContact CD1-CE2 3.72Å; F276-Y333 HydrophobicContact CD1-CE2 3.72Å; F276-Y333 HydrophobicContact CE1-CE2 4.39Å; F276-Y333 AromaticContact CG-CE2 3.8Å; F276-Y333 HydrophobicContact CG-CE2 3.8Å; F276-R340 HydrophobicContact CE2-CG 4.32Å; F276-R340 HydrophobicContact CZ-CB 4.38Å; F276-R340 HydrophobicContact CZ-CG 4.39Å; F276-L365 HydrophobicContact CD2-CD1 4.21Å; F276-L365 HydrophobicContact CE2-CD1 4.05Å; F276-L365 HydrophobicContact CZ-CD1 4.29Å
277	L	98.6	Very high	95.8	Very high	73 Å²	73	48 Å²	48	38%	0.382	22%	0.223	S	C	.	.	H	α-helix	trans	-64.8	-42	178	-70.4	175.3	0	0	0	111.8	E273 E275 L280 H281	E273-L277 HydrophobicContact CG-CD1 4.03Å; E273-L277 HydrophobicContact CG-CG 4.32Å; E273-L277 WeakPolarHBondContact O-CB 3.14Å; E273-L277 VanDerWaalsContact O-CG 3.29Å; E273-L277 WeakPolarHBondContact O-CG 3.41Å; E273-L277 PolarHBondContact O-N 2.91Å; E275-L277 VanDerWaalsContact C-N 3.35Å; E275-L277 PolarHBondContact O-N 3.4Å; L277-L280 PolarHBondContact O-N 2.84Å; L277-H281 WeakPolarHBondContact O-CB 3.31Å; L277-H281 PolarHBondContact O-CD2 3.06Å; L277-H281 VanDerWaalsContact O-CD2 3.24Å; L277-H281 PolarHBondContact O-N 2.71Å
278	Q	98.1	Very high	94.3	Very high	13 Å²	13	49.1 Å²	49.1	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-46.3	177.8	-70.6	173.3	23.7	0	0	111.6	R274 E275 F282 G283 N284 L286 D287	R274-Q278 VanDerWaalsContact O-CG 3.25Å; R274-Q278 WeakPolarHBondContact O-CG 3.43Å; R274-Q278 PolarHBondContact O-N 3.33Å; R274-Q278 VanDerWaalsContact O-N 3.13Å; E275-Q278 PolarHBondContact O-N 3.12Å; Q278-F282 HydrophobicContact CB-CD2 4.36Å; Q278-F282 WeakPolarHBondContact O-CA 3.48Å; Q278-F282 VanDerWaalsContact O-CB 3.31Å; Q278-F282 WeakPolarHBondContact O-CB 3.32Å; Q278-F282 WeakPolarHBondContact O-CD2 3.48Å; Q278-F282 PolarHBondContact O-N 2.74Å; Q278-G283 PolarHBondContact O-N 2.91Å; Q278-N284 CarbonylContact C-O 3.52Å; Q278-N284 VanDerWaalsContact C-O 3.26Å; Q278-N284 VanDerWaalsContact CB-O 3.28Å; Q278-N284 WeakPolarHBondContact CB-O 3.41Å; Q278-L286 HydrophobicContact CG-CD1 4.47Å; Q278-D287 PolarHBondContact NE2-OD2 2.95Å
279	V	98.1	Very high	93	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-47.5	176.1	165.2	0	0	0	0	111.4	M271 E275 F276 H281 G283 L285 M293 V295 P296	M271-V279 HydrophobicContact CE-CB 4.23Å; M271-V279 HydrophobicContact CE-CG1 4.23Å; M271-V279 HydrophobicContact CE-CG2 3.43Å; M271-V279 VanDerWaalsContact CE-CG2 3.43Å; M271-V279 HydrophobicContact SD-CB 4.23Å; M271-V279 HydrophobicContact SD-CG1 4.43Å; M271-V279 HydrophobicContact SD-CG2 3.85Å; E275-V279 WeakPolarHBondContact O-CB 3.26Å; E275-V279 VanDerWaalsContact O-CG2 3.31Å; E275-V279 WeakPolarHBondContact O-CG2 3.25Å; E275-V279 PolarHBondContact O-N 3.36Å; F276-V279 PolarHBondContact O-N 2.85Å; V279-H281 PolarHBondContact O-N 3.48Å; V279-G283 VanDerWaalsContact O-CA 3.26Å; V279-G283 WeakPolarHBondContact O-CA 3.35Å; V279-G283 PolarHBondContact O-N 2.83Å; V279-L285 HydrophobicContact CG2-CD2 3.77Å; V279-M293 WeakPolarHBondContact CG1-O 3.45Å; V279-M293 HydrophobicContact CG2-CB 3.89Å; V279-M293 HydrophobicContact CG2-CG 3.68Å; V279-M293 WeakPolarHBondContact CG2-O 3.22Å; V279-V295 VanDerWaalsContact CG1-C 3.48Å; V279-P296 HydrophobicContact CG1-CG 4.21Å
280	L	98.1	Very high	92.2	Very high	21 Å²	21	46 Å²	46	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-32.6	-174.4	-164.7	68	0	0	0	113.1	F276 L277 P296 E339 R340 R343 Q344	F276-L280 HydrophobicContact CE1-CD2 4.09Å; F276-L280 HydrophobicContact CZ-CD2 3.83Å; F276-L280 VanDerWaalsContact O-CB 3.25Å; F276-L280 WeakPolarHBondContact O-CB 3.41Å; F276-L280 PolarHBondContact O-N 2.84Å; L277-L280 PolarHBondContact O-N 2.84Å; L280-P296 HydrophobicContact CD1-CG 4.22Å; L280-E339 HydrophobicContact CD2-CG 4.49Å; L280-R340 HydrophobicContact CD1-CG 4.36Å; L280-R343 HydrophobicContact CD1-CB 3.74Å; L280-R343 HydrophobicContact CG-CB 3.89Å; L280-R343 HydrophobicContact CG-CG 4.37Å; L280-Q344 HydrophobicContact CD1-CB 4.49Å
281	H	97.9	Very high	91.7	Very high	86 Å²	86	46.7 Å²	46.7	40%	0.398	24%	0.24	S	C	.	.	H	α-helix	trans	-96.7	-32.2	-177.1	-74.8	-79.3	0	0	0	114.2	L277 V279 R343	L277-H281 WeakPolarHBondContact O-CB 3.31Å; L277-H281 PolarHBondContact O-CD2 3.06Å; L277-H281 VanDerWaalsContact O-CD2 3.24Å; L277-H281 PolarHBondContact O-N 2.71Å; V279-H281 PolarHBondContact O-N 3.48Å; H281-R343 VanDerWaalsContact CE1-CZ 3.4Å
282	F	97	Very high	91.5	Very high	128 Å²	128	46.7 Å²	46.7	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-119	-12.8	-172.3	-50.1	-61.4	0	0	0	113.3	Q278 N284 L286	Q278-F282 HydrophobicContact CB-CD2 4.36Å; Q278-F282 WeakPolarHBondContact O-CA 3.48Å; Q278-F282 VanDerWaalsContact O-CB 3.31Å; Q278-F282 WeakPolarHBondContact O-CB 3.32Å; Q278-F282 WeakPolarHBondContact O-CD2 3.48Å; Q278-F282 PolarHBondContact O-N 2.74Å; F282-N284 PolarHBondContact O-N 2.9Å; F282-N284 PolarHBondContact O-ND2 2.95Å; F282-L286 HydrophobicContact CD2-CD1 3.73Å; F282-L286 HydrophobicContact CE2-CD1 4.1Å; F282-L286 HydrophobicContact CG-CD1 4.3Å
283	G	96.1	Very high	91.4	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	23%	0.23	C	C	.	.	S	Bend	trans	63.6	21.4	-173	0	0	0	0	0	113.5	Q278 V279 M293	Q278-G283 PolarHBondContact O-N 2.91Å; V279-G283 VanDerWaalsContact O-CA 3.26Å; V279-G283 WeakPolarHBondContact O-CA 3.35Å; V279-G283 PolarHBondContact O-N 2.83Å; G283-M293 CarbonylContact C-O 3.46Å; G283-M293 WeakPolarHBondContact CA-O 3.11Å; G283-M293 CarbonylContact O-C 3.54Å; G283-M293 VanDerWaalsContact O-C 3.25Å; G283-M293 PolarHBondContact O-N 2.68Å; G283-M293 VanDerWaalsContact O-O 3.08Å
284	N	94.7	Very high	91.3	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.8	-177.6	-68.4	-93.2	0	0	0	110.6	Q278 F282 L286 I291 N292 M293 P539	Q278-N284 CarbonylContact C-O 3.52Å; Q278-N284 VanDerWaalsContact C-O 3.26Å; Q278-N284 VanDerWaalsContact CB-O 3.28Å; Q278-N284 WeakPolarHBondContact CB-O 3.41Å; F282-N284 PolarHBondContact O-N 2.9Å; F282-N284 PolarHBondContact O-ND2 2.95Å; N284-L286 HydrophobicContact CB-CD2 3.93Å; N284-I291 CarbonylContact C-O 3.55Å; N284-I291 WeakPolarHBondContact CA-O 3.24Å; N284-I291 WeakPolarHBondContact CB-O 3.35Å; N284-I291 PolarHBondContact OD1-O 3.32Å; N284-N292 WeakPolarHBondContact OD1-CA 3.49Å; N284-M293 PolarHBondContact N-O 3.35Å; N284-P539 WeakPolarHBondContact ND2-CG 3.13Å; N284-P539 PolarHBondContact OD1-O 3.42Å
285	L	90.9	Very high	91.4	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	138.4	152.8	-55	173.2	0	0	0	107.4	L267 E275 V279 I291 M293	L267-L285 HydrophobicContact CD2-CD1 3.69Å; L267-L285 HydrophobicContact CD2-CD2 4.34Å; L267-L285 HydrophobicContact CG-CD1 4.16Å; E275-L285 HydrophobicContact CB-CD2 3.86Å; E275-L285 HydrophobicContact CG-CD2 4.16Å; V279-L285 HydrophobicContact CG2-CD2 3.77Å; L285-I291 HydrophobicContact CB-CB 4.31Å; L285-I291 PolarHBondContact N-O 3.2Å; L285-I291 PolarHBondContact O-N 2.87Å; L285-M293 HydrophobicContact CD1-CB 4.42Å; L285-M293 HydrophobicContact CD1-CE 4.1Å; L285-M293 HydrophobicContact CD1-CG 4.48Å; L285-M293 HydrophobicContact CG-CB 3.92Å; L285-M293 HydrophobicContact CG-CG 4.29Å
286	L	85.9	Confident	91.4	Very high	78 Å²	78	30.8 Å²	30.8	41%	0.408	18%	0.175	S	C	.	.			trans	-113	-19.8	-174	-59.5	179.8	0	0	0	112.7	Q278 F282 N284 G288 G289	Q278-L286 HydrophobicContact CG-CD1 4.47Å; F282-L286 HydrophobicContact CD2-CD1 3.73Å; F282-L286 HydrophobicContact CE2-CD1 4.1Å; F282-L286 HydrophobicContact CG-CD1 4.3Å; N284-L286 HydrophobicContact CB-CD2 3.93Å; L286-G288 PolarHBondContact O-N 3.39Å; L286-G289 CarbonylContact C-O 3.55Å; L286-G289 WeakPolarHBondContact CA-O 3.43Å; L286-G289 PolarHBondContact O-N 2.87Å
287	D	76.3	Confident	91.4	Very high	80 Å²	80	30.2 Å²	30.2	43%	0.428	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	115.4	175	-61.5	-44.6	0	0	0	108.9	R274 Q278	R274-D287 IonicContact CZ-OD1 3.31Å; R274-D287 IonicContact CZ-OD2 3.45Å; R274-D287 IonicContact NE-OD1 2.75Å; R274-D287 PolarHBondContact NE-OD1 2.98Å; R274-D287 IonicContact NE-OD2 3.58Å; R274-D287 PolarHBondContact NE-OD2 3.45Å; R274-D287 IonicContact NH2-OD1 3.74Å; R274-D287 PolarHBondContact NH2-OD1 3.36Å; R274-D287 IonicContact NH2-OD2 2.69Å; Q278-D287 PolarHBondContact NE2-OD2 2.95Å
288	G	63.3	Low	91.4	Very high	28 Å²	28	27 Å²	27	29%	0.289	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	4	-174.7	0	0	0	0	0	115.1	R36 L286	R36-G288 PolarHBondContact NH1-O 3.17Å; L286-G288 PolarHBondContact O-N 3.39Å
289	G	68.6	Low	91.4	Very high	16 Å²	16	26.5 Å²	26.5	17%	0.165	15%	0.154	C	C	.	.	S	Bend	trans	123.6	170.2	179.5	0	0	0	0	0	112.1	L286 I291	L286-G289 CarbonylContact C-O 3.55Å; L286-G289 WeakPolarHBondContact CA-O 3.43Å; L286-G289 PolarHBondContact O-N 2.87Å; G289-I291 PolarHBondContact O-N 3.01Å
290	A	81.6	Confident	91.4	Very high	53 Å²	53	28.1 Å²	28.1	44%	0.438	17%	0.165	S	C	.	.			trans	-76.4	92.1	178.3	0	0	0	0	0	110.6	G540	A290-G540 VanDerWaalsContact O-CA 3.24Å; A290-G540 WeakPolarHBondContact O-CA 3.16Å
291	I	88.3	Confident	91.5	Very high	16 Å²	16	27.5 Å²	27.5	8%	0.082	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.1	177.8	-58.4	174.6	0	0	0	108.1	P266 N284 L285 G289 M293	P266-I291 HydrophobicContact CG-CD1 3.61Å; N284-I291 CarbonylContact C-O 3.55Å; N284-I291 WeakPolarHBondContact CA-O 3.24Å; N284-I291 WeakPolarHBondContact CB-O 3.35Å; N284-I291 PolarHBondContact OD1-O 3.32Å; L285-I291 HydrophobicContact CB-CB 4.31Å; L285-I291 PolarHBondContact N-O 3.2Å; L285-I291 PolarHBondContact O-N 2.87Å; G289-I291 PolarHBondContact O-N 3.01Å; I291-M293 PolarHBondContact O-N 3.21Å
292	N	94.3	Very high	91.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	123	180	-167.1	-91.4	0	0	0	110.4	N284 Q493 R497 P539 L541	N284-N292 WeakPolarHBondContact OD1-CA 3.49Å; N292-Q493 PolarHBondContact ND2-OE1 3.06Å; N292-R497 WeakPolarHBondContact O-CG 3.49Å; N292-P539 WeakPolarHBondContact CB-O 3.4Å; N292-P539 PolarHBondContact ND2-O 3.39Å; N292-L541 HydrophobicContact CB-CD2 3.74Å; N292-L541 HydrophobicContact CB-CG 4.09Å
293	M	96.7	Very high	91.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	14%	0.144	C	C	.	.			trans	-156.3	94.4	176.7	-165.5	69.2	64.6	0	0	108.1	A264 L267 M271 V279 G283 N284 L285 I291 I297 W494	A264-M293 HydrophobicContact CB-CE 4.33Å; A264-M293 WeakPolarHBondContact O-CE 3.39Å; L267-M293 HydrophobicContact CD1-CE 4.38Å; L267-M293 HydrophobicContact CG-CE 4.31Å; M271-M293 HydrophobicContact CE-CG 3.61Å; M271-M293 HydrophobicContact CE-SD 4.38Å; V279-M293 WeakPolarHBondContact CG1-O 3.45Å; V279-M293 HydrophobicContact CG2-CB 3.89Å; V279-M293 HydrophobicContact CG2-CG 3.68Å; V279-M293 WeakPolarHBondContact CG2-O 3.22Å; G283-M293 CarbonylContact C-O 3.46Å; G283-M293 WeakPolarHBondContact CA-O 3.11Å; G283-M293 CarbonylContact O-C 3.54Å; G283-M293 VanDerWaalsContact O-C 3.25Å; G283-M293 PolarHBondContact O-N 2.68Å; G283-M293 VanDerWaalsContact O-O 3.08Å; N284-M293 PolarHBondContact N-O 3.35Å; L285-M293 HydrophobicContact CD1-CB 4.42Å; L285-M293 HydrophobicContact CD1-CE 4.1Å; L285-M293 HydrophobicContact CD1-CG 4.48Å; L285-M293 HydrophobicContact CG-CB 3.92Å; L285-M293 HydrophobicContact CG-CG 4.29Å; I291-M293 PolarHBondContact O-N 3.21Å; M293-I297 HydrophobicContact SD-CD1 4.37Å; M293-W494 HydrophobicContact SD-CE3 4.26Å; M293-W494 HydrophobicContact SD-CZ3 4.06Å
294	S	98.3	Very high	91.6	Very high	6 Å²	6	26 Å²	26	4%	0.042	16%	0.164	C	C	.	.			trans	-98.9	-10.5	-167.2	64	0	0	0	0	114.9	T490 Q493 W494	S294-T490 VanDerWaalsContact CB-O 3.24Å; S294-T490 WeakPolarHBondContact CB-O 3.25Å; S294-T490 WeakPolarHBondContact O-CG2 3.34Å; S294-T490 PolarHBondContact OG-O 3.45Å; S294-Q493 WeakPolarHBondContact OG-CB 3.41Å; S294-W494 PolarHBondContact OG-N 3.15Å
295	V	98.7	Very high	91.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-121.3	133.2	-177.8	-60.2	0	0	0	0	110.6	W255 M271 V279 I297 M485 T490 W494	W255-V295 HydrophobicContact CH2-CG2 4.46Å; M271-V295 WeakPolarHBondContact CE-O 3.47Å; V279-V295 VanDerWaalsContact CG1-C 3.48Å; V295-I297 PolarHBondContact O-N 2.81Å; V295-M485 HydrophobicContact CB-SD 3.92Å; V295-M485 HydrophobicContact CG1-SD 3.84Å; V295-M485 HydrophobicContact CG2-SD 4.19Å; V295-T490 HydrophobicContact CG1-CG2 4.44Å; V295-W494 HydrophobicContact CG1-CB 3.92Å; V295-W494 HydrophobicContact CG1-CG 4.41Å; V295-W494 HydrophobicContact CG2-CB 3.79Å; V295-W494 HydrophobicContact CG2-CD2 3.79Å; V295-W494 HydrophobicContact CG2-CE3 4.23Å; V295-W494 HydrophobicContact CG2-CG 3.57Å
296	P	98.7	Very high	92.1	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.019	18%	0.179	C	C	.	.			trans	-62.3	124.6	172	-25.7	35.4	0	0	0	112.3	F276 V279 L280 V298	F276-P296 HydrophobicContact CD2-CB 3.94Å; F276-P296 HydrophobicContact CD2-CG 4.28Å; F276-P296 HydrophobicContact CE2-CB 3.95Å; F276-P296 HydrophobicContact CE2-CG 4.03Å; V279-P296 HydrophobicContact CG1-CG 4.21Å; L280-P296 HydrophobicContact CD1-CG 4.22Å; P296-V298 HydrophobicContact CB-CG1 4.16Å; P296-V298 HydrophobicContact CB-CG2 4.39Å
297	I	98.8	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.			trans	-109.5	92.3	172.2	-54.7	177.3	0	0	0	107.3	W255 V258 L259 A264 L267 F270 M271 M293 V295 W494	W255-I297 HydrophobicContact CD2-CG2 4.38Å; W255-I297 HydrophobicContact CE3-CD1 4.48Å; W255-I297 HydrophobicContact CE3-CG1 4.18Å; W255-I297 HydrophobicContact CE3-CG2 3.9Å; W255-I297 HydrophobicContact CH2-CG1 4.49Å; W255-I297 HydrophobicContact CZ3-CD1 4.15Å; W255-I297 HydrophobicContact CZ3-CG1 3.89Å; W255-I297 HydrophobicContact CZ3-CG2 4.48Å; V258-I297 HydrophobicContact CG1-CD1 4.47Å; L259-I297 HydrophobicContact CD1-CG2 3.88Å; L259-I297 HydrophobicContact CD2-CG2 3.96Å; L259-I297 HydrophobicContact CG-CG2 3.88Å; A264-I297 HydrophobicContact CB-CD1 3.43Å; A264-I297 VanDerWaalsContact CB-CD1 3.43Å; L267-I297 HydrophobicContact CD1-CB 4.37Å; L267-I297 HydrophobicContact CD1-CD1 4.1Å; F270-I297 HydrophobicContact CD1-CG2 4.33Å; M271-I297 HydrophobicContact CE-CB 4.21Å; M271-I297 HydrophobicContact CE-CG1 4.25Å; M271-I297 WeakPolarHBondContact CG-O 3.48Å; M271-I297 PolarHBondContact N-O 3.29Å; M271-I297 PolarHBondContact SD-N 3.13Å; M271-I297 VanDerWaalsContact SD-N 3.44Å; M293-I297 HydrophobicContact SD-CD1 4.37Å; V295-I297 PolarHBondContact O-N 2.81Å; I297-W494 HydrophobicContact CD1-CH2 4Å; I297-W494 HydrophobicContact CD1-CZ3 4.16Å
298	V	98.8	Very high	93.6	Very high	6 Å²	6	36 Å²	36	4%	0.036	21%	0.207	C	C	.	.			trans	-136.4	153.3	-165.9	-63.4	0	0	0	0	110.7	F270 M271 F276 P296 Y333 L365	F270-V298 VanDerWaalsContact CD1-C 3.44Å; M271-V298 HydrophobicContact CB-CG1 4.08Å; F276-V298 HydrophobicContact CD2-CG1 3.88Å; P296-V298 HydrophobicContact CB-CG1 4.16Å; P296-V298 HydrophobicContact CB-CG2 4.39Å; V298-Y333 WeakPolarHBondContact CG1-OH 3.11Å; V298-L365 HydrophobicContact CB-CD1 3.99Å; V298-L365 HydrophobicContact CB-CD2 3.92Å; V298-L365 HydrophobicContact CB-CG 4.39Å; V298-L365 HydrophobicContact CG1-CD1 3.99Å; V298-L365 HydrophobicContact CG2-CD1 4.02Å; V298-L365 HydrophobicContact CG2-CD2 3.7Å; V298-L365 HydrophobicContact CG2-CG 4.47Å
299	L	98.8	Very high	95.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.9	176.4	-179.5	61.1	0	0	0	110	I246 I248 D252 F270 L317 L365 V366	I246-L299 HydrophobicContact CG2-CD2 4.46Å; I248-L299 HydrophobicContact CG2-CD1 4.1Å; D252-L299 HydrophobicContact CB-CD1 4.1Å; F270-L299 HydrophobicContact CB-CB 4.39Å; F270-L299 HydrophobicContact CD1-CB 3.9Å; F270-L299 HydrophobicContact CD2-CB 3.85Å; F270-L299 HydrophobicContact CD2-CD2 4.2Å; F270-L299 HydrophobicContact CE1-CB 4.05Å; F270-L299 HydrophobicContact CE2-CB 4.02Å; F270-L299 HydrophobicContact CE2-CD2 4.05Å; F270-L299 HydrophobicContact CE2-CG 4.46Å; F270-L299 HydrophobicContact CG-CB 3.78Å; F270-L299 HydrophobicContact CZ-CB 4.11Å; F270-L299 HydrophobicContact CZ-CD1 4.41Å; L299-L317 HydrophobicContact CD2-CD1 4.29Å; L299-L317 HydrophobicContact CD2-CD2 3.77Å; L299-L365 WeakPolarHBondContact O-CA 3.45Å; L299-V366 HydrophobicContact CB-CG1 3.87Å; L299-V366 HydrophobicContact CD2-CG1 3.68Å; L299-V366 HydrophobicContact CG-CG1 3.84Å; L299-V366 PolarHBondContact O-N 2.8Å
300	P	98.5	Very high	96.5	Very high	38 Å²	38	38.7 Å²	38.7	25%	0.247	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.1	177.5	31.6	-33.7	0	0	0	112.1	W364 L365	P300-W364 CarbonylContact C-O 3.59Å; P300-W364 VanDerWaalsContact CA-O 3.3Å; P300-W364 WeakPolarHBondContact CA-O 3.31Å; P300-L365 HydrophobicContact CB-CD2 4.03Å
301	V	98.5	Very high	97	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.7	178.4	-62.2	0	0	0	0	111	I246 T305 K306 F332 G362 D363 W364 V366	I246-V301 HydrophobicContact CD1-CG1 4.21Å; I246-V301 HydrophobicContact CG2-CG1 4.14Å; V301-T305 HydrophobicContact CB-CG2 4.01Å; V301-T305 HydrophobicContact CG1-CG2 4.19Å; V301-K306 HydrophobicContact CG2-CB 4.49Å; V301-F332 HydrophobicContact CG2-CD1 4Å; V301-F332 HydrophobicContact CG2-CE1 4.02Å; V301-G362 CarbonylContact O-C 3.57Å; V301-G362 VanDerWaalsContact O-CA 3.23Å; V301-G362 WeakPolarHBondContact O-CA 3.34Å; V301-D363 PolarHBondContact O-N 3.23Å; V301-W364 HydrophobicContact CG2-CB 3.82Å; V301-W364 PolarHBondContact N-O 2.86Å; V301-W364 PolarHBondContact O-N 3.35Å; V301-W364 VanDerWaalsContact O-N 3.13Å; V301-V366 HydrophobicContact CG1-CG1 3.87Å
302	S	98.3	Very high	97.4	Very high	39 Å²	39	40.8 Å²	40.8	27%	0.273	24%	0.235	S	C	.	.			trans	-71.6	166.6	178.4	85.9	0	0	0	0	111.6	E304 T305 K306	S302-E304 VanDerWaalsContact C-N 3.25Å; S302-E304 WeakPolarHBondContact CB-OE2 3.5Å; S302-E304 PolarHBondContact O-N 2.95Å; S302-E304 PolarHBondContact OG-N 3.12Å; S302-E304 PolarHBondContact OG-OE2 3.25Å; S302-T305 PolarHBondContact O-N 3.23Å; S302-T305 PolarHBondContact OG-N 3.45Å; S302-T305 PolarHBondContact OG-OG1 3.32Å; S302-K306 WeakPolarHBondContact O-CB 3.41Å; S302-K306 PolarHBondContact O-N 2.77Å
303	A	97.9	Very high	97.5	Very high	40 Å²	40	46.3 Å²	46.3	33%	0.331	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-34.9	176.1	0	0	0	0	0	111.9	K306 Q307	A303-K306 PolarHBondContact O-N 3.38Å; A303-Q307 WeakPolarHBondContact O-CB 3.48Å; A303-Q307 PolarHBondContact O-N 3.08Å
304	E	98	Very high	97.6	Very high	118 Å²	118	46.4 Å²	46.4	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-65	-51.4	176.2	-56.4	71.8	-156.2	0	0	110.4	S302 K306 Q307 E308	S302-E304 VanDerWaalsContact C-N 3.25Å; S302-E304 WeakPolarHBondContact CB-OE2 3.5Å; S302-E304 PolarHBondContact O-N 2.95Å; S302-E304 PolarHBondContact OG-N 3.12Å; S302-E304 PolarHBondContact OG-OE2 3.25Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 3.45Å; E304-Q307 PolarHBondContact O-N 3.3Å; E304-E308 WeakPolarHBondContact O-CG 3.25Å; E304-E308 PolarHBondContact O-N 3.21Å
305	T	97.7	Very high	97.6	Very high	36 Å²	36	46.1 Å²	46.1	22%	0.221	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-41.3	176.2	-57.7	0	0	0	0	111.7	I246 V301 S302 E308 L309	I246-T305 HydrophobicContact CG1-CG2 4.2Å; V301-T305 HydrophobicContact CB-CG2 4.01Å; V301-T305 HydrophobicContact CG1-CG2 4.19Å; S302-T305 PolarHBondContact O-N 3.23Å; S302-T305 PolarHBondContact OG-N 3.45Å; S302-T305 PolarHBondContact OG-OG1 3.32Å; T305-E308 PolarHBondContact O-N 2.95Å; T305-L309 HydrophobicContact CG2-CD1 3.62Å; T305-L309 HydrophobicContact CG2-CG 4.37Å; T305-L309 WeakPolarHBondContact O-CB 3.39Å; T305-L309 VanDerWaalsContact O-CG 3.32Å; T305-L309 WeakPolarHBondContact O-CG 3.24Å; T305-L309 PolarHBondContact O-N 3.48Å; T305-L309 VanDerWaalsContact O-N 3.08Å
306	K	97.6	Very high	97.6	Very high	41 Å²	41	46.1 Å²	46.1	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-48.8	173.7	-178.2	-85.9	-174.5	-160.4	0	110.8	V301 S302 A303 E304 E308 L309 D310 F332 W364	V301-K306 HydrophobicContact CG2-CB 4.49Å; S302-K306 WeakPolarHBondContact O-CB 3.41Å; S302-K306 PolarHBondContact O-N 2.77Å; A303-K306 PolarHBondContact O-N 3.38Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 3.45Å; K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 PolarHBondContact O-N 3.32Å; K306-L309 PolarHBondContact O-N 3.37Å; K306-D310 IonicContact NZ-OD2 3.33Å; K306-D310 PolarHBondContact NZ-OD2 3.01Å; K306-D310 WeakPolarHBondContact O-CB 3.37Å; K306-D310 PolarHBondContact O-N 3.41Å; K306-F332 HydrophobicContact CB-CD1 4.11Å; K306-F332 HydrophobicContact CG-CB 3.77Å; K306-F332 HydrophobicContact CG-CD1 3.79Å; K306-F332 HydrophobicContact CG-CG 3.84Å; K306-W364 HydrophobicContact CB-CB 4.24Å; K306-W364 HydrophobicContact CB-CD2 4.33Å; K306-W364 HydrophobicContact CB-CG 3.97Å; K306-W364 HydrophobicContact CD-CD2 4.26Å; K306-W364 HydrophobicContact CD-CE3 4.43Å; K306-W364 HydrophobicContact CD-CZ2 4.41Å; K306-W364 HydrophobicContact CG-CB 4.38Å; K306-W364 HydrophobicContact CG-CD2 3.78Å; K306-W364 HydrophobicContact CG-CE3 4Å; K306-W364 HydrophobicContact CG-CG 3.94Å
307	Q	97.5	Very high	97.6	Very high	156 Å²	156	46 Å²	46	73%	0.729	27%	0.267	S	S	*	.	H	α-helix	trans	-63.2	-37.6	-177.8	-176.3	177.5	-3.3	0	0	112.4	A303 E304	A303-Q307 WeakPolarHBondContact O-CB 3.48Å; A303-Q307 PolarHBondContact O-N 3.08Å; E304-Q307 PolarHBondContact O-N 3.3Å
308	E	97.6	Very high	97.6	Very high	150 Å²	150	48.3 Å²	48.3	70%	0.701	28%	0.278	S	S	*	.	H	α-helix	trans	-71.1	-35	179.2	-72.7	174.8	177.6	0	0	113.2	E304 T305 K306	E304-E308 WeakPolarHBondContact O-CG 3.25Å; E304-E308 PolarHBondContact O-N 3.21Å; T305-E308 PolarHBondContact O-N 2.95Å; K306-E308 VanDerWaalsContact C-N 3.31Å; K306-E308 PolarHBondContact O-N 3.32Å
309	L	97.4	Very high	97.6	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-103.7	-3.3	-172.1	-57.6	179.3	0	0	0	113.9	P244 I246 T305 K306 G311 C312 V315 F332	P244-L309 HydrophobicContact CB-CD2 3.64Å; P244-L309 HydrophobicContact CG-CD2 3.91Å; I246-L309 HydrophobicContact CD1-CD1 3.73Å; I246-L309 HydrophobicContact CG1-CD1 3.3Å; T305-L309 HydrophobicContact CG2-CD1 3.62Å; T305-L309 HydrophobicContact CG2-CG 4.37Å; T305-L309 WeakPolarHBondContact O-CB 3.39Å; T305-L309 VanDerWaalsContact O-CG 3.32Å; T305-L309 WeakPolarHBondContact O-CG 3.24Å; T305-L309 PolarHBondContact O-N 3.48Å; T305-L309 VanDerWaalsContact O-N 3.08Å; K306-L309 PolarHBondContact O-N 3.37Å; L309-G311 PolarHBondContact O-N 2.94Å; L309-C312 VanDerWaalsContact O-CB 3.29Å; L309-C312 WeakPolarHBondContact O-CB 2.97Å; L309-C312 PolarHBondContact O-N 3.27Å; L309-C312 VanDerWaalsContact O-N 3.08Å; L309-V315 HydrophobicContact CB-CG1 4.34Å; L309-V315 HydrophobicContact CD1-CG1 4.13Å; L309-V315 HydrophobicContact CD2-CG1 4.21Å; L309-V315 HydrophobicContact CG-CG1 4.47Å; L309-F332 HydrophobicContact CB-CE2 4.36Å; L309-F332 HydrophobicContact CB-CZ 3.75Å
310	D	93.6	Very high	97.4	Very high	92 Å²	92	57.5 Å²	57.5	49%	0.492	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	129.3	177.8	-156	-2.3	0	0	0	110.7	K306 C312	K306-D310 IonicContact NZ-OD2 3.33Å; K306-D310 PolarHBondContact NZ-OD2 3.01Å; K306-D310 WeakPolarHBondContact O-CB 3.37Å; K306-D310 PolarHBondContact O-N 3.41Å; D310-C312 VanDerWaalsContact C-N 3.3Å; D310-C312 PolarHBondContact O-N 3.47Å
311	G	93.4	Very high	97.2	Very high	72 Å²	72	58.4 Å²	58.4	74%	0.742	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-4.3	-175.3	0	0	0	0	0	115.6	L309	L309-G311 PolarHBondContact O-N 2.94Å
312	C	96.3	Very high	97.1	Very high	41 Å²	41	61.6 Å²	61.6	28%	0.277	36%	0.358	S	S	.	.			trans	-65.5	137.8	168.5	-68.9	0	0	0	0	110.7	L309 D310 V315 P330	L309-C312 VanDerWaalsContact O-CB 3.29Å; L309-C312 WeakPolarHBondContact O-CB 2.97Å; L309-C312 PolarHBondContact O-N 3.27Å; L309-C312 VanDerWaalsContact O-N 3.08Å; D310-C312 VanDerWaalsContact C-N 3.3Å; D310-C312 PolarHBondContact O-N 3.47Å; C312-V315 HydrophobicContact CB-CG1 4.15Å; C312-P330 VanDerWaalsContact O-CD 3.27Å; C312-P330 WeakPolarHBondContact O-CD 3.23Å; C312-P330 WeakPolarHBondContact O-CG 3.45Å
313	V	97.3	Very high	97.1	Very high	116 Å²	116	63.7 Å²	63.7	70%	0.703	36%	0.36	S	S	*	.	S	Bend	trans	-79.6	-22.4	177.8	-64.1	0	0	0	0	113	N329	V313-N329 PolarHBondContact O-N 3.15Å
314	A	98.3	Very high	97.1	Very high	4 Å²	4	62.8 Å²	62.8	3%	0.033	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	151	176.6	0	0	0	0	0	110.9	L243 I326 L327 R328	L243-A314 HydrophobicContact CD1-CB 3.87Å; L243-A314 HydrophobicContact CD2-CB 4Å; A314-I326 HydrophobicContact CB-CG2 4.07Å; A314-L327 VanDerWaalsContact CA-O 3.31Å; A314-L327 WeakPolarHBondContact CA-O 3.48Å; A314-R328 HydrophobicContact CB-CG 4.24Å
315	V	98.4	Very high	97.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.5	176.9	-57.3	0	0	0	0	109.4	P244 I246 L309 C312 I326 L327	P244-V315 HydrophobicContact CG-CG1 4.22Å; P244-V315 WeakPolarHBondContact O-CA 3.25Å; I246-V315 HydrophobicContact CD1-CB 4.45Å; I246-V315 HydrophobicContact CD1-CG2 3.76Å; I246-V315 HydrophobicContact CG1-CG2 4.31Å; L309-V315 HydrophobicContact CB-CG1 4.34Å; L309-V315 HydrophobicContact CD1-CG1 4.13Å; L309-V315 HydrophobicContact CD2-CG1 4.21Å; L309-V315 HydrophobicContact CG-CG1 4.47Å; C312-V315 HydrophobicContact CB-CG1 4.15Å; V315-I326 CarbonylContact O-C 3.49Å; V315-I326 WeakPolarHBondContact O-CA 3.28Å; V315-L327 HydrophobicContact CG2-CB 3.82Å; V315-L327 HydrophobicContact CG2-CD2 4.34Å; V315-L327 PolarHBondContact N-O 3.17Å; V315-L327 PolarHBondContact O-N 3.49Å
316	A	98.6	Very high	97.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.5	173.9	0	0	0	0	0	110.7	L243 P244 T245 I246 R323 A325	L243-A316 HydrophobicContact CB-CB 4.16Å; P244-A316 PolarHBondContact O-N 3.41Å; T245-A316 CarbonylContact C-O 3.48Å; T245-A316 VanDerWaalsContact CA-O 3.26Å; T245-A316 WeakPolarHBondContact CA-O 3.48Å; T245-A316 HydrophobicContact CG2-CB 4.18Å; I246-A316 PolarHBondContact N-O 3Å; A316-R323 HydrophobicContact CB-CG 4.31Å; A316-A325 CarbonylContact C-O 2.97Å; A316-A325 WeakPolarHBondContact CA-O 3.47Å
317	L	98.8	Very high	97.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.6	171.8	-54.7	-171.1	0	0	0	109.3	I246 I248 V256 F270 L299 R323 V324 A325 L370	I246-L317 HydrophobicContact CB-CD2 3.99Å; I246-L317 HydrophobicContact CD1-CD2 4.35Å; I248-L317 HydrophobicContact CD1-CB 4.29Å; I248-L317 HydrophobicContact CG2-CB 4.14Å; I248-L317 HydrophobicContact CG2-CD2 4.22Å; V256-L317 HydrophobicContact CG2-CD1 4.03Å; F270-L317 HydrophobicContact CE2-CD1 3.89Å; L299-L317 HydrophobicContact CD2-CD1 4.29Å; L299-L317 HydrophobicContact CD2-CD2 3.77Å; L317-R323 CarbonylContact O-C 3.58Å; L317-R323 WeakPolarHBondContact O-CA 3.24Å; L317-V324 HydrophobicContact CB-CG2 4.23Å; L317-V324 WeakPolarHBondContact O-CG2 3.43Å; L317-V324 PolarHBondContact O-N 3.41Å; L317-A325 HydrophobicContact CB-CB 4.29Å; L317-A325 HydrophobicContact CD1-CB 4.2Å; L317-A325 HydrophobicContact CG-CB 4.34Å; L317-A325 PolarHBondContact N-O 3.48Å; L317-L370 HydrophobicContact CD1-CD1 3.74Å
318	E	98.5	Very high	97.3	Very high	48 Å²	48	49.2 Å²	49.2	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125	-176	-170	179.8	105	0	0	111.5	I246 S247 I248 S322	I246-E318 PolarHBondContact O-N 3Å; S247-E318 WeakPolarHBondContact CA-O 3.08Å; I248-E318 WeakPolarHBondContact CG1-O 3.32Å; I248-E318 PolarHBondContact N-O 3.18Å; E318-S322 CarbonylContact C-O 3.52Å; E318-S322 WeakPolarHBondContact CA-O 3.34Å
319	Y	98.3	Very high	97.3	Very high	38 Å²	38	46.4 Å²	46.4	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.3	173.3	178.2	-103	0	0	0	109.6	I248 K250 L253 G321 S322	I248-Y319 HydrophobicContact CG1-CD2 4.48Å; K250-Y319 HydrophobicContact CB-CE2 3.99Å; L253-Y319 HydrophobicContact CB-CD2 4.32Å; L253-Y319 HydrophobicContact CB-CG 4.45Å; L253-Y319 HydrophobicContact CD2-CD1 3.54Å; L253-Y319 HydrophobicContact CD2-CD2 4.31Å; L253-Y319 HydrophobicContact CD2-CE1 3.65Å; L253-Y319 HydrophobicContact CD2-CE2 4.43Å; L253-Y319 HydrophobicContact CD2-CG 3.86Å; Y319-G321 PolarHBondContact O-N 3.33Å; Y319-S322 PolarHBondContact N-O 2.89Å; Y319-S322 PolarHBondContact O-N 3.09Å
320	Q	95.9	Very high	97.4	Very high	162 Å²	162	47 Å²	47	76%	0.757	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.6	179.2	-62.4	-176.4	-26.5	0	0	113.4	S322	Q320-S322 VanDerWaalsContact C-N 3.27Å; Q320-S322 PolarHBondContact O-N 3.35Å
321	G	94	Very high	97.6	Very high	57 Å²	57	45.6 Å²	45.6	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	0.1	-179.9	0	0	0	0	0	115.2	Y319	Y319-G321 PolarHBondContact O-N 3.33Å
322	S	96.3	Very high	97.9	Very high	74 Å²	74	43.5 Å²	43.5	52%	0.517	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.1	176.6	-59.9	0	0	0	0	110.7	E318 Y319 Q320 V324	E318-S322 CarbonylContact C-O 3.52Å; E318-S322 WeakPolarHBondContact CA-O 3.34Å; Y319-S322 PolarHBondContact N-O 2.89Å; Y319-S322 PolarHBondContact O-N 3.09Å; Q320-S322 VanDerWaalsContact C-N 3.27Å; Q320-S322 PolarHBondContact O-N 3.35Å; S322-V324 PolarHBondContact O-N 3.47Å
323	R	97.8	Very high	98	Very high	83 Å²	83	41.9 Å²	41.9	31%	0.313	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118	172.5	-61.8	-177.1	-168.1	-151.2	3.6	108.3	A240 T241 L243 A316 L317 L373	A240-R323 VanDerWaalsContact O-CD 3.31Å; A240-R323 WeakPolarHBondContact O-CD 3.41Å; A240-R323 PolarHBondContact O-NH1 3.43Å; T241-R323 PolarHBondContact O-NH1 3.45Å; T241-R323 PolarHBondContact O-NH2 3.06Å; L243-R323 PolarHBondContact O-NH1 2.9Å; A316-R323 HydrophobicContact CB-CG 4.31Å; L317-R323 CarbonylContact O-C 3.58Å; L317-R323 WeakPolarHBondContact O-CA 3.24Å; R323-L373 HydrophobicContact CB-CD1 4.5Å; R323-L373 WeakPolarHBondContact O-CD1 3.26Å
324	V	98.4	Very high	98	Very high	21 Å²	21	38.4 Å²	38.4	13%	0.127	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-24.5	-172.5	-64.6	0	0	0	0	113	I248 L253 L317 S322 L373	I248-V324 HydrophobicContact CD1-CG2 3.91Å; L253-V324 HydrophobicContact CD1-CB 4.26Å; L253-V324 HydrophobicContact CD1-CG1 4.14Å; L253-V324 HydrophobicContact CD1-CG2 3.95Å; L317-V324 HydrophobicContact CB-CG2 4.23Å; L317-V324 WeakPolarHBondContact O-CG2 3.43Å; L317-V324 PolarHBondContact O-N 3.41Å; S322-V324 PolarHBondContact O-N 3.47Å; V324-L373 PolarHBondContact O-N 2.74Å
325	A	98.8	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	164.7	-178.4	0	0	0	0	0	111.5	V256 A316 L317 L370 E371 V372	V256-A325 HydrophobicContact CG1-CB 4.46Å; A316-A325 CarbonylContact C-O 2.97Å; A316-A325 WeakPolarHBondContact CA-O 3.47Å; L317-A325 HydrophobicContact CB-CB 4.29Å; L317-A325 HydrophobicContact CD1-CB 4.2Å; L317-A325 HydrophobicContact CG-CB 4.34Å; L317-A325 PolarHBondContact N-O 3.48Å; A325-L370 HydrophobicContact CB-CD1 3.8Å; A325-L370 HydrophobicContact CB-CG 4.4Å; A325-E371 CarbonylContact C-O 3.57Å; A325-E371 WeakPolarHBondContact CA-O 3.47Å; A325-E371 WeakPolarHBondContact CB-O 3.33Å; A325-V372 HydrophobicContact CB-CB 4.47Å; A325-V372 HydrophobicContact CB-CG2 4.1Å
326	I	98.8	Very high	98.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.3	167.6	-57.5	172.8	0	0	0	107.6	D239 A240 L243 A314 V315 R328 L370 E371 L373	D239-I326 HydrophobicContact CB-CD1 4.36Å; A240-I326 HydrophobicContact CB-CD1 3.92Å; A240-I326 HydrophobicContact CB-CG1 3.86Å; L243-I326 HydrophobicContact CD1-CB 4.44Å; L243-I326 HydrophobicContact CD1-CD1 4.24Å; L243-I326 HydrophobicContact CD1-CG1 4.13Å; L243-I326 HydrophobicContact CD1-CG2 3.57Å; A314-I326 HydrophobicContact CB-CG2 4.07Å; V315-I326 CarbonylContact O-C 3.49Å; V315-I326 WeakPolarHBondContact O-CA 3.28Å; I326-R328 HydrophobicContact CG2-CG 3.9Å; I326-L370 WeakPolarHBondContact O-CA 3.3Å; I326-E371 HydrophobicContact CB-CB 4.33Å; I326-E371 PolarHBondContact N-O 3.31Å; I326-E371 PolarHBondContact O-N 3.29Å; I326-L373 HydrophobicContact CD1-CD2 4.32Å; I326-L373 HydrophobicContact CG1-CD2 4.36Å
327	L	98.8	Very high	98.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	109.4	169.4	-172.8	72.1	0	0	0	108.4	F270 A314 V315 P330 V366 D369 L370	F270-L327 HydrophobicContact CD2-CD1 4.39Å; A314-L327 VanDerWaalsContact CA-O 3.31Å; A314-L327 WeakPolarHBondContact CA-O 3.48Å; V315-L327 HydrophobicContact CG2-CB 3.82Å; V315-L327 HydrophobicContact CG2-CD2 4.34Å; V315-L327 PolarHBondContact N-O 3.17Å; V315-L327 PolarHBondContact O-N 3.49Å; L327-P330 HydrophobicContact CD2-CB 4.49Å; L327-V366 HydrophobicContact CD2-CG1 4.04Å; L327-V366 HydrophobicContact CD2-CG2 3.77Å; L327-D369 CarbonylContact C-O 3.59Å; L327-D369 WeakPolarHBondContact CA-O 3.34Å; L327-L370 HydrophobicContact CB-CD1 4.47Å; L327-L370 HydrophobicContact CD1-CB 4.32Å; L327-L370 HydrophobicContact CD1-CD1 4.06Å
328	R	98.6	Very high	98.1	Very high	67 Å²	67	54.8 Å²	54.8	25%	0.253	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	152.5	179	-60.3	-162.8	-174.8	-79.2	-8.8	111.6	D239 A314 I326 D369 E371	D239-R328 IonicContact OD2-CZ 2.74Å; D239-R328 IonicContact OD2-NH1 3.08Å; D239-R328 PolarHBondContact OD2-NH1 2.96Å; D239-R328 VanDerWaalsContact OD2-NH1 3.08Å; D239-R328 IonicContact OD2-NH2 2.77Å; D239-R328 PolarHBondContact OD2-NH2 3.28Å; A314-R328 HydrophobicContact CB-CG 4.24Å; I326-R328 HydrophobicContact CG2-CG 3.9Å; R328-D369 HydrophobicContact CB-CB 4.37Å; R328-D369 PolarHBondContact N-O 2.68Å; R328-D369 PolarHBondContact O-N 3.26Å; R328-E371 WeakPolarHBondContact CD-OE1 3.29Å; R328-E371 IonicContact CZ-OE1 2.95Å; R328-E371 IonicContact CZ-OE2 3.99Å; R328-E371 IonicContact NE-OE1 3.78Å; R328-E371 PolarHBondContact NE-OE1 2.86Å; R328-E371 IonicContact NE-OE2 3.9Å; R328-E371 PolarHBondContact NE-OE2 2.78Å; R328-E371 IonicContact NH2-OE1 3.93Å; R328-E371 IonicContact NH2-OE2 2.84Å; R328-E371 PolarHBondContact NH2-OE2 2.84Å
329	N	98.1	Very high	98.1	Very high	91 Å²	91	55.3 Å²	55.3	49%	0.487	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.7	52.6	179.4	-50.3	-52	0	0	0	112.1	R272 V313 D369	R272-N329 PolarHBondContact NH1-O 3.16Å; R272-N329 PolarHBondContact NH2-O 3.49Å; V313-N329 PolarHBondContact O-N 3.15Å; N329-D369 PolarHBondContact ND2-OD2 2.95Å
330	P	98.3	Very high	98.1	Very high	22 Å²	22	54 Å²	54	14%	0.143	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	142.4	-174.5	28.3	-35.4	0	0	0	111.3	C312 L327 F332 V366 G367	C312-P330 VanDerWaalsContact O-CD 3.27Å; C312-P330 WeakPolarHBondContact O-CD 3.23Å; C312-P330 WeakPolarHBondContact O-CG 3.45Å; L327-P330 HydrophobicContact CD2-CB 4.49Å; P330-F332 HydrophobicContact CB-CE2 4.03Å; P330-F332 HydrophobicContact CB-CZ 4.36Å; P330-F332 HydrophobicContact CG-CE2 4.33Å; P330-V366 HydrophobicContact CB-CG2 3.71Å; P330-G367 CarbonylContact C-O 3.18Å; P330-G367 VanDerWaalsContact CA-O 3.27Å; P330-G367 WeakPolarHBondContact CA-O 3.38Å
331	E	98.4	Very high	98.2	Very high	61 Å²	61	46.3 Å²	46.3	29%	0.285	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.7	175.3	176.8	-171.5	141.5	0	0	108.5	R272 E273 V366 G367	R272-E331 WeakPolarHBondContact CB-OE2 3.45Å; R272-E331 WeakPolarHBondContact CD-OE2 3.43Å; R272-E331 WeakPolarHBondContact CG-OE2 3.4Å; R272-E331 IonicContact NH1-OE2 3.38Å; R272-E331 PolarHBondContact NH1-OE2 2.95Å; E273-E331 VanDerWaalsContact CB-OE1 3.24Å; E273-E331 WeakPolarHBondContact CB-OE1 3.06Å; E273-E331 PolarHBondContact N-OE1 2.97Å; E331-V366 WeakPolarHBondContact O-CA 3.4Å; E331-G367 PolarHBondContact N-O 3.02Å; E331-G367 PolarHBondContact O-N 3.33Å
332	F	98.7	Very high	98.4	Very high	29 Å²	29	45.6 Å²	45.6	13%	0.127	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.5	-179.1	-62.7	-90.6	0	0	0	110.9	V301 K306 L309 P330 W364 L365 V366	V301-F332 HydrophobicContact CG2-CD1 4Å; V301-F332 HydrophobicContact CG2-CE1 4.02Å; K306-F332 HydrophobicContact CB-CD1 4.11Å; K306-F332 HydrophobicContact CG-CB 3.77Å; K306-F332 HydrophobicContact CG-CD1 3.79Å; K306-F332 HydrophobicContact CG-CG 3.84Å; L309-F332 HydrophobicContact CB-CE2 4.36Å; L309-F332 HydrophobicContact CB-CZ 3.75Å; P330-F332 HydrophobicContact CB-CE2 4.03Å; P330-F332 HydrophobicContact CB-CZ 4.36Å; P330-F332 HydrophobicContact CG-CE2 4.33Å; F332-W364 HydrophobicContact CB-CE3 4.29Å; F332-L365 WeakPolarHBondContact CA-O 3.43Å; F332-V366 HydrophobicContact CD1-CB 3.75Å; F332-V366 HydrophobicContact CD1-CG2 3.81Å; F332-V366 HydrophobicContact CD2-CG2 4.47Å; F332-V366 HydrophobicContact CE1-CB 3.64Å; F332-V366 HydrophobicContact CE1-CG1 4.49Å; F332-V366 HydrophobicContact CE1-CG2 3.5Å; F332-V366 VanDerWaalsContact CE1-CG2 3.5Å; F332-V366 HydrophobicContact CE2-CG2 4.19Å; F332-V366 HydrophobicContact CG-CG2 4.29Å; F332-V366 HydrophobicContact CZ-CB 4.36Å; F332-V366 HydrophobicContact CZ-CG2 3.7Å
333	Y	98.8	Very high	98.5	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.4	-179.6	61.7	-81.9	0	0	0	111.6	M271 E273 F276 V298 H335 W364 L365	M271-Y333 PolarHBondContact O-OH 2.91Å; E273-Y333 HydrophobicContact CB-CD1 3.96Å; E273-Y333 HydrophobicContact CB-CD2 3.91Å; E273-Y333 HydrophobicContact CB-CE1 4.45Å; E273-Y333 HydrophobicContact CB-CE2 4.37Å; E273-Y333 HydrophobicContact CB-CG 3.69Å; E273-Y333 HydrophobicContact CG-CD2 3.88Å; E273-Y333 HydrophobicContact CG-CG 4.01Å; F276-Y333 HydrophobicContact CB-CE2 3.92Å; F276-Y333 HydrophobicContact CD1-CD2 4.46Å; F276-Y333 AromaticContact CD1-CE2 3.72Å; F276-Y333 HydrophobicContact CD1-CE2 3.72Å; F276-Y333 HydrophobicContact CE1-CE2 4.39Å; F276-Y333 AromaticContact CG-CE2 3.8Å; F276-Y333 HydrophobicContact CG-CE2 3.8Å; V298-Y333 WeakPolarHBondContact CG1-OH 3.11Å; Y333-H335 PolarHBondContact O-N 3.22Å; Y333-W364 VanDerWaalsContact C-CE3 3.49Å; Y333-W364 WeakPolarHBondContact O-CA 3.29Å; Y333-L365 HydrophobicContact CD1-CB 4.3Å; Y333-L365 HydrophobicContact CD2-CB 4.18Å; Y333-L365 HydrophobicContact CD2-CD1 4.36Å; Y333-L365 HydrophobicContact CE1-CB 3.82Å; Y333-L365 HydrophobicContact CE2-CB 3.71Å; Y333-L365 HydrophobicContact CE2-CD1 3.5Å; Y333-L365 VanDerWaalsContact CE2-CD1 3.5Å; Y333-L365 HydrophobicContact CE2-CG 4.16Å; Y333-L365 HydrophobicContact CG-CB 4.45Å; Y333-L365 VanDerWaalsContact CZ-CB 3.49Å; Y333-L365 PolarHBondContact N-O 3.21Å; Y333-L365 PolarHBondContact O-N 2.79Å
334	A	98.6	Very high	98.6	Very high	42 Å²	42	44 Å²	44	35%	0.347	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.5	-169.2	0	0	0	0	0	112.5	R336	A334-R336 HydrophobicContact CB-CG 4.47Å; A334-R336 PolarHBondContact O-N 3.31Å; A334-R336 VanDerWaalsContact O-N 3.13Å
335	H	98.6	Very high	98.6	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.046	20%	0.204	C	C	.	.			trans	-84.9	82.4	172.1	-165	-170.2	0	0	0	109.8	Y333 K337 R340 G362 D363 L365	Y333-H335 PolarHBondContact O-N 3.22Å; H335-K337 PolarHBondContact O-N 2.78Å; H335-R340 PolarHBondContact CE1-NH1 2.69Å; H335-R340 VanDerWaalsContact NE2-CD 3.33Å; H335-R340 WeakPolarHBondContact NE2-CD 3.25Å; H335-R340 PolarHBondContact NE2-NH1 3.16Å; H335-G362 PolarHBondContact ND1-O 2.77Å; H335-D363 WeakPolarHBondContact CA-O 3.41Å; H335-D363 VanDerWaalsContact CB-C 3.43Å; H335-D363 VanDerWaalsContact CB-O 3.24Å; H335-D363 WeakPolarHBondContact CB-O 3.3Å; H335-D363 PolarHBondContact N-O 3.46Å; H335-L365 HydrophobicContact CB-CD1 4.42Å; H335-L365 HydrophobicContact CB-CD2 4.02Å; H335-L365 HydrophobicContact CB-CG 3.74Å
336	R	98.5	Very high	98.6	Very high	170 Å²	170	46.4 Å²	46.4	64%	0.642	24%	0.238	S	C	*	.			trans	-70.5	74.4	175.7	-62.1	-170.2	179.6	-154.6	-0.3	110.9	A334 E338 E339 R340	A334-R336 HydrophobicContact CB-CG 4.47Å; A334-R336 PolarHBondContact O-N 3.31Å; A334-R336 VanDerWaalsContact O-N 3.13Å; R336-E338 PolarHBondContact O-N 3.08Å; R336-E339 HydrophobicContact CB-CB 4.12Å; R336-E339 WeakPolarHBondContact CD-OE2 3.4Å; R336-E339 PolarHBondContact O-N 2.74Å; R336-R340 PolarHBondContact O-N 3.29Å
337	K	98.6	Very high	98.6	Very high	28 Å²	28	47.9 Å²	47.9	12%	0.122	25%	0.247	C	C	.	.	H	α-helix	trans	-54.5	-46.9	-168.3	-71.3	161.9	175	174.8	0	113.3	H335 R340 C341 V358 M359 G361 G362 D363	H335-K337 PolarHBondContact O-N 2.78Å; K337-R340 PolarHBondContact O-N 2.97Å; K337-C341 VanDerWaalsContact O-CB 3.27Å; K337-C341 WeakPolarHBondContact O-CB 3.5Å; K337-C341 PolarHBondContact O-N 3.13Å; K337-C341 PolarHBondContact O-SG 3.23Å; K337-V358 WeakPolarHBondContact CE-O 3.4Å; K337-V358 HydrophobicContact CG-CG1 4.37Å; K337-M359 HydrophobicContact CB-SD 3.79Å; K337-M359 PolarHBondContact NZ-O 3.39Å; K337-M359 VanDerWaalsContact NZ-O 3.1Å; K337-G361 VanDerWaalsContact CE-O 3.26Å; K337-G361 WeakPolarHBondContact CE-O 3.43Å; K337-G361 PolarHBondContact NZ-O 3.42Å; K337-G362 WeakPolarHBondContact CE-O 3.33Å; K337-D363 WeakPolarHBondContact CE-OD1 3.46Å; K337-D363 IonicContact NZ-OD1 3.97Å; K337-D363 PolarHBondContact NZ-OD1 3.33Å
338	E	98.6	Very high	98.5	Very high	140 Å²	140	50.7 Å²	50.7	65%	0.654	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-48.4	179.5	-173.9	-178.4	-170.6	0	0	111.6	R336 C341 A342 T348	R336-E338 PolarHBondContact O-N 3.08Å; E338-C341 PolarHBondContact O-N 3.14Å; E338-A342 VanDerWaalsContact O-CB 3.32Å; E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 3.32Å; E338-T348 HydrophobicContact CG-CG2 3.92Å; E338-T348 WeakPolarHBondContact O-CG2 3.49Å
339	E	98.8	Very high	98.5	Very high	59 Å²	59	48.2 Å²	48.2	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-46.9	177.1	174.7	171.5	-158.2	0	0	111.7	L280 R336 C341 A342 R343	L280-E339 HydrophobicContact CD2-CG 4.49Å; R336-E339 HydrophobicContact CB-CB 4.12Å; R336-E339 WeakPolarHBondContact CD-OE2 3.4Å; R336-E339 PolarHBondContact O-N 2.74Å; E339-C341 VanDerWaalsContact C-N 3.35Å; E339-C341 PolarHBondContact O-N 2.79Å; E339-A342 PolarHBondContact O-N 2.7Å; E339-R343 VanDerWaalsContact CG-NE 3.33Å; E339-R343 WeakPolarHBondContact O-CB 3.49Å; E339-R343 WeakPolarHBondContact O-CG 3.5Å; E339-R343 PolarHBondContact O-N 3.16Å; E339-R343 IonicContact OE1-CZ 3.83Å; E339-R343 VanDerWaalsContact OE1-CZ 3.28Å; E339-R343 IonicContact OE1-NE 3.56Å; E339-R343 PolarHBondContact OE1-NE 3.38Å; E339-R343 IonicContact OE1-NH2 3.3Å; E339-R343 PolarHBondContact OE1-NH2 3.03Å
340	R	98.6	Very high	98.3	Very high	11 Å²	11	48 Å²	48	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-52.3	175.6	178.5	-172.4	172.2	175.3	3.3	110.4	F276 L280 H335 R336 K337 R343 Q344	F276-R340 HydrophobicContact CE2-CG 4.32Å; F276-R340 HydrophobicContact CZ-CB 4.38Å; F276-R340 HydrophobicContact CZ-CG 4.39Å; L280-R340 HydrophobicContact CD1-CG 4.36Å; H335-R340 PolarHBondContact CE1-NH1 2.69Å; H335-R340 VanDerWaalsContact NE2-CD 3.33Å; H335-R340 WeakPolarHBondContact NE2-CD 3.25Å; H335-R340 PolarHBondContact NE2-NH1 3.16Å; R336-R340 PolarHBondContact O-N 3.29Å; K337-R340 PolarHBondContact O-N 2.97Å; R340-R343 PolarHBondContact O-N 2.94Å; R340-Q344 VanDerWaalsContact O-CB 3.23Å; R340-Q344 WeakPolarHBondContact O-CB 3.35Å; R340-Q344 PolarHBondContact O-N 3.44Å
341	C	98.7	Very high	98.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-47.2	-177.3	-72.4	0	0	0	0	111.5	K337 E338 E339 R343 Q344 W345 T347 T348 I355	K337-C341 VanDerWaalsContact O-CB 3.27Å; K337-C341 WeakPolarHBondContact O-CB 3.5Å; K337-C341 PolarHBondContact O-N 3.13Å; K337-C341 PolarHBondContact O-SG 3.23Å; E338-C341 PolarHBondContact O-N 3.14Å; E339-C341 VanDerWaalsContact C-N 3.35Å; E339-C341 PolarHBondContact O-N 2.79Å; C341-R343 VanDerWaalsContact C-N 3.34Å; C341-R343 PolarHBondContact O-N 3.4Å; C341-Q344 PolarHBondContact O-N 3.39Å; C341-W345 HydrophobicContact CB-CE3 4.32Å; C341-W345 PolarHBondContact O-N 3.48Å; C341-T347 CarbonylContact C-O 3.53Å; C341-T347 VanDerWaalsContact O-O 3.08Å; C341-T348 HydrophobicContact CB-CG2 4.25Å; C341-I355 HydrophobicContact CB-CD1 4.35Å; C341-I355 HydrophobicContact CB-CG1 4.43Å; C341-I355 HydrophobicContact CB-CG2 4.4Å
342	A	98.8	Very high	98.3	Very high	43 Å²	43	49.9 Å²	49.9	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-44.8	178.6	0	0	0	0	0	112.2	E338 E339 G346 T348	E338-A342 VanDerWaalsContact O-CB 3.32Å; E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 3.32Å; E339-A342 PolarHBondContact O-N 2.7Å; A342-G346 WeakPolarHBondContact O-CA 3.47Å; A342-G346 PolarHBondContact O-N 2.99Å; A342-T348 HydrophobicContact CB-CG2 3.74Å
343	R	98.6	Very high	98.2	Very high	119 Å²	119	50 Å²	50	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-75.5	-40.6	-178	-67.2	178.4	-170.5	-63.1	-2	112.7	L280 H281 E339 R340 C341	L280-R343 HydrophobicContact CD1-CB 3.74Å; L280-R343 HydrophobicContact CG-CB 3.89Å; L280-R343 HydrophobicContact CG-CG 4.37Å; H281-R343 VanDerWaalsContact CE1-CZ 3.4Å; E339-R343 VanDerWaalsContact CG-NE 3.33Å; E339-R343 WeakPolarHBondContact O-CB 3.49Å; E339-R343 WeakPolarHBondContact O-CG 3.5Å; E339-R343 PolarHBondContact O-N 3.16Å; E339-R343 IonicContact OE1-CZ 3.83Å; E339-R343 VanDerWaalsContact OE1-CZ 3.28Å; E339-R343 IonicContact OE1-NE 3.56Å; E339-R343 PolarHBondContact OE1-NE 3.38Å; E339-R343 IonicContact OE1-NH2 3.3Å; E339-R343 PolarHBondContact OE1-NH2 3.03Å; R340-R343 PolarHBondContact O-N 2.94Å; C341-R343 VanDerWaalsContact C-N 3.34Å; C341-R343 PolarHBondContact O-N 3.4Å
344	Q	98.7	Very high	98.2	Very high	4 Å²	4	50 Å²	50	2%	0.019	27%	0.271	C	S	.	.	H	α-helix	trans	-75.3	-42	-176	178.1	174.8	-2.1	0	0	112.4	L280 R340 C341 T490	L280-Q344 HydrophobicContact CD1-CB 4.49Å; R340-Q344 VanDerWaalsContact O-CB 3.23Å; R340-Q344 WeakPolarHBondContact O-CB 3.35Å; R340-Q344 PolarHBondContact O-N 3.44Å; C341-Q344 PolarHBondContact O-N 3.39Å; Q344-T490 HydrophobicContact CG-CG2 4.46Å; Q344-T490 WeakPolarHBondContact O-CB 3.4Å; Q344-T490 PolarHBondContact O-OG1 3.26Å
345	W	98.8	Very high	98.2	Very high	3 Å²	3	48 Å²	48	1%	0.011	25%	0.254	C	S	.	.	H	α-helix	trans	-106	-9.8	-176.5	-71.9	-94.3	0	0	0	114.4	C341 T347 H352 Y354 I355 V358 M485 A487 Y526	C341-W345 HydrophobicContact CB-CE3 4.32Å; C341-W345 PolarHBondContact O-N 3.48Å; W345-T347 HydrophobicContact CB-CG2 4.05Å; W345-T347 PolarHBondContact O-N 2.96Å; W345-H352 AromaticContact CD1-CE1 3.71Å; W345-H352 AromaticContact CD1-NE2 3.49Å; W345-H352 AromaticContact NE1-CE1 3.37Å; W345-H352 PolarHBondContact NE1-CE1 3.05Å; W345-H352 AromaticContact NE1-NE2 3.59Å; W345-Y354 AromaticContact CH2-CD1 3.77Å; W345-Y354 HydrophobicContact CH2-CD1 3.77Å; W345-Y354 HydrophobicContact CH2-CE1 4.23Å; W345-Y354 AromaticContact CZ2-CD1 3.4Å; W345-Y354 HydrophobicContact CZ2-CD1 3.4Å; W345-Y354 HydrophobicContact CZ2-CE1 4.11Å; W345-Y354 AromaticContact CZ2-CG 3.96Å; W345-Y354 HydrophobicContact CZ2-CG 3.96Å; W345-I355 HydrophobicContact CB-CD1 4.01Å; W345-I355 HydrophobicContact CD2-CD1 4.11Å; W345-I355 HydrophobicContact CD2-CG1 3.79Å; W345-I355 HydrophobicContact CE3-CD1 4.34Å; W345-I355 HydrophobicContact CE3-CG1 3.94Å; W345-I355 HydrophobicContact CG-CD1 3.97Å; W345-I355 HydrophobicContact CG-CG1 4.11Å; W345-I355 HydrophobicContact CZ3-CG1 4.39Å; W345-V358 HydrophobicContact CH2-CG2 3.98Å; W345-M485 HydrophobicContact CZ2-CB 4.15Å; W345-M485 HydrophobicContact CZ2-CG 4.46Å; W345-M485 PolarHBondContact NE1-O 3.43Å; W345-A487 HydrophobicContact CD2-CB 4.48Å; W345-A487 HydrophobicContact CG-CB 4.16Å; W345-Y526 WeakPolarHBondContact O-CE1 3.43Å; W345-Y526 PolarHBondContact O-OH 3.41Å
346	G	98.3	Very high	98.2	Very high	69 Å²	69	52.6 Å²	52.6	71%	0.711	27%	0.274	S	S	*	.	S	Bend	trans	67.9	13.4	-171.1	0	0	0	0	0	113.6	A342	A342-G346 WeakPolarHBondContact O-CA 3.47Å; A342-G346 PolarHBondContact O-N 2.99Å
347	T	98.1	Very high	98.2	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.184	26%	0.255	C	S	.	.			trans	-156.3	156.5	177.2	-176.6	0	0	0	0	109.8	C341 W345 C349 I355 M525	C341-T347 CarbonylContact C-O 3.53Å; C341-T347 VanDerWaalsContact O-O 3.08Å; W345-T347 HydrophobicContact CB-CG2 4.05Å; W345-T347 PolarHBondContact O-N 2.96Å; T347-C349 HydrophobicContact CG2-CB 4.47Å; T347-C349 PolarHBondContact OG1-N 2.95Å; T347-I355 HydrophobicContact CG2-CD1 4.09Å; T347-I355 WeakPolarHBondContact O-CD1 3.36Å; T347-M525 HydrophobicContact CG2-CE 3.38Å
348	T	98.1	Very high	98.2	Very high	60 Å²	60	45.9 Å²	45.9	37%	0.368	25%	0.252	S	S	.	.			trans	-112.6	17.8	173.5	53.3	0	0	0	0	111.9	E338 C341 A342 P350	E338-T348 HydrophobicContact CG-CG2 3.92Å; E338-T348 WeakPolarHBondContact O-CG2 3.49Å; C341-T348 HydrophobicContact CB-CG2 4.25Å; A342-T348 HydrophobicContact CB-CG2 3.74Å; T348-P350 VanDerWaalsContact O-CD 3.28Å; T348-P350 WeakPolarHBondContact O-CD 3.45Å; T348-P350 VanDerWaalsContact O-N 3.09Å
349	C	97.8	Very high	98.1	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.095	24%	0.24	C	C	.	.			trans	-56.9	114.1	-175.4	-175.6	0	0	0	0	111.6	T347 Q351 H352 I355	T347-C349 HydrophobicContact CG2-CB 4.47Å; T347-C349 PolarHBondContact OG1-N 2.95Å; C349-Q351 PolarHBondContact O-N 2.94Å; C349-Q351 VanDerWaalsContact O-N 3.15Å; C349-H352 VanDerWaalsContact O-CB 3.31Å; C349-H352 WeakPolarHBondContact O-CB 3.46Å; C349-H352 PolarHBondContact O-N 3Å; C349-I355 WeakPolarHBondContact O-CG2 3.16Å
350	P	94.9	Very high	98	Very high	86 Å²	86	46.9 Å²	46.9	56%	0.558	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.3	-175.5	28.4	-35.7	0	0	0	113.1	T348 H352 K356	T348-P350 VanDerWaalsContact O-CD 3.28Å; T348-P350 WeakPolarHBondContact O-CD 3.45Å; T348-P350 VanDerWaalsContact O-N 3.09Å; P350-H352 VanDerWaalsContact C-N 3.32Å; P350-K356 WeakPolarHBondContact O-CB 3.34Å
351	Q	96.7	Very high	97.9	Very high	124 Å²	124	47.4 Å²	47.4	58%	0.579	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.9	174.3	-64.2	-179.8	15.7	0	0	112.8	C349 P519	C349-Q351 PolarHBondContact O-N 2.94Å; C349-Q351 VanDerWaalsContact O-N 3.15Å; Q351-P519 HydrophobicContact CB-CB 3.58Å; Q351-P519 HydrophobicContact CB-CG 4.23Å
352	H	98.5	Very high	97.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-68.2	127.1	171.3	173.9	-62.6	0	0	0	107.9	W345 C349 P350 Y354 I355 K356 M485 Y486 P519	W345-H352 AromaticContact CD1-CE1 3.71Å; W345-H352 AromaticContact CD1-NE2 3.49Å; W345-H352 AromaticContact NE1-CE1 3.37Å; W345-H352 PolarHBondContact NE1-CE1 3.05Å; W345-H352 AromaticContact NE1-NE2 3.59Å; C349-H352 VanDerWaalsContact O-CB 3.31Å; C349-H352 WeakPolarHBondContact O-CB 3.46Å; C349-H352 PolarHBondContact O-N 3Å; P350-H352 VanDerWaalsContact C-N 3.32Å; H352-Y354 VanDerWaalsContact C-N 3.35Å; H352-Y354 PolarHBondContact ND1-N 2.98Å; H352-Y354 VanDerWaalsContact ND1-N 3.16Å; H352-Y354 PolarHBondContact O-N 3.44Å; H352-I355 HydrophobicContact CB-CB 3.98Å; H352-I355 HydrophobicContact CB-CD1 3.88Å; H352-I355 HydrophobicContact CB-CG1 4.05Å; H352-I355 PolarHBondContact ND1-N 3.43Å; H352-I355 PolarHBondContact O-N 3.28Å; H352-K356 PolarHBondContact O-N 2.95Å; H352-M485 PolarHBondContact CE1-O 3.44Å; H352-M485 PolarHBondContact NE2-O 2.87Å; H352-Y486 PolarHBondContact NE2-O 2.92Å; H352-P519 HydrophobicContact CB-CG 4.14Å
353	P	98	Very high	97.8	Very high	32 Å²	32	50.8 Å²	50.8	21%	0.208	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-32.1	-161.9	29.7	-38.6	0	0	0	113.1	W446 K448 M516	P353-W446 HydrophobicContact CB-CH2 3.8Å; P353-W446 HydrophobicContact CB-CZ2 4.29Å; P353-W446 HydrophobicContact CG-CH2 4.13Å; P353-K448 HydrophobicContact CB-CB 4.23Å; P353-K448 HydrophobicContact CG-CB 3.89Å; P353-K448 HydrophobicContact CG-CD 4.34Å; P353-M516 HydrophobicContact CG-CE 4.41Å; P353-M516 HydrophobicContact CG-SD 4.23Å
354	Y	98.6	Very high	97.8	Very high	6 Å²	6	48.8 Å²	48.8	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-75.8	-47.4	172.6	-153	-75.7	0	0	0	113.3	L251 W255 W345 H352 K356 M357 V358 W446 P483 M484 M485	L251-Y354 HydrophobicContact CD1-CE2 4.22Å; W255-Y354 WeakPolarHBondContact CZ2-OH 3.26Å; W255-Y354 PolarHBondContact NE1-OH 3.22Å; W345-Y354 AromaticContact CH2-CD1 3.77Å; W345-Y354 HydrophobicContact CH2-CD1 3.77Å; W345-Y354 HydrophobicContact CH2-CE1 4.23Å; W345-Y354 AromaticContact CZ2-CD1 3.4Å; W345-Y354 HydrophobicContact CZ2-CD1 3.4Å; W345-Y354 HydrophobicContact CZ2-CE1 4.11Å; W345-Y354 AromaticContact CZ2-CG 3.96Å; W345-Y354 HydrophobicContact CZ2-CG 3.96Å; H352-Y354 VanDerWaalsContact C-N 3.35Å; H352-Y354 PolarHBondContact ND1-N 2.98Å; H352-Y354 VanDerWaalsContact ND1-N 3.16Å; H352-Y354 PolarHBondContact O-N 3.44Å; Y354-K356 PolarHBondContact O-N 3.42Å; Y354-M357 HydrophobicContact CD1-CE 4.48Å; Y354-M357 HydrophobicContact CD2-CE 3.55Å; Y354-M357 HydrophobicContact CE2-CE 3.95Å; Y354-M357 HydrophobicContact CG-CE 3.88Å; Y354-M357 WeakPolarHBondContact O-CB 3.16Å; Y354-M357 PolarHBondContact O-N 3.29Å; Y354-V358 HydrophobicContact CD1-CG2 3.86Å; Y354-V358 HydrophobicContact CE1-CG2 3.99Å; Y354-V358 PolarHBondContact O-N 2.9Å; Y354-W446 AromaticContact CD2-CE3 3.81Å; Y354-W446 HydrophobicContact CD2-CE3 3.81Å; Y354-W446 AromaticContact CD2-CZ3 3.64Å; Y354-W446 HydrophobicContact CD2-CZ3 3.64Å; Y354-W446 HydrophobicContact CE2-CE3 4.26Å; Y354-W446 HydrophobicContact CG-CZ3 4.42Å; Y354-P483 HydrophobicContact CE2-CB 3.97Å; Y354-M484 VanDerWaalsContact CD2-O 3.27Å; Y354-M484 WeakPolarHBondContact CD2-O 3.03Å; Y354-M485 HydrophobicContact CD1-CG 4.32Å; Y354-M485 HydrophobicContact CD2-CB 4.26Å; Y354-M485 HydrophobicContact CD2-CG 3.97Å; Y354-M485 HydrophobicContact CE1-CG 4.05Å; Y354-M485 HydrophobicContact CE2-CB 4.44Å; Y354-M485 HydrophobicContact CE2-CG 3.66Å; Y354-M485 HydrophobicContact CG-CB 4.37Å; Y354-M485 HydrophobicContact CG-CG 4.27Å
355	I	98.6	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-50.5	-42.4	171.6	-66.3	-179.3	0	0	0	111.1	C341 W345 T347 C349 H352 M357 V358 M359	C341-I355 HydrophobicContact CB-CD1 4.35Å; C341-I355 HydrophobicContact CB-CG1 4.43Å; C341-I355 HydrophobicContact CB-CG2 4.4Å; W345-I355 HydrophobicContact CB-CD1 4.01Å; W345-I355 HydrophobicContact CD2-CD1 4.11Å; W345-I355 HydrophobicContact CD2-CG1 3.79Å; W345-I355 HydrophobicContact CE3-CD1 4.34Å; W345-I355 HydrophobicContact CE3-CG1 3.94Å; W345-I355 HydrophobicContact CG-CD1 3.97Å; W345-I355 HydrophobicContact CG-CG1 4.11Å; W345-I355 HydrophobicContact CZ3-CG1 4.39Å; T347-I355 HydrophobicContact CG2-CD1 4.09Å; T347-I355 WeakPolarHBondContact O-CD1 3.36Å; C349-I355 WeakPolarHBondContact O-CG2 3.16Å; H352-I355 HydrophobicContact CB-CB 3.98Å; H352-I355 HydrophobicContact CB-CD1 3.88Å; H352-I355 HydrophobicContact CB-CG1 4.05Å; H352-I355 PolarHBondContact ND1-N 3.43Å; H352-I355 PolarHBondContact O-N 3.28Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 3.43Å; I355-V358 WeakPolarHBondContact O-CA 3.38Å; I355-V358 WeakPolarHBondContact O-CB 3.4Å; I355-V358 PolarHBondContact O-N 2.77Å; I355-M359 HydrophobicContact CG2-CG 3.93Å; I355-M359 VanDerWaalsContact O-CG 3.27Å; I355-M359 WeakPolarHBondContact O-CG 3.34Å; I355-M359 PolarHBondContact O-N 2.98Å
356	K	98.2	Very high	97.8	Very high	107 Å²	107	48.4 Å²	48.4	47%	0.465	27%	0.273	S	S	.	.	H	α-helix	trans	-52.1	-50.6	175.4	-175.1	-177.9	169.7	-174.7	0	111.7	P350 H352 Y354 V358 M359 E360	P350-K356 WeakPolarHBondContact O-CB 3.34Å; H352-K356 PolarHBondContact O-N 2.95Å; Y354-K356 PolarHBondContact O-N 3.42Å; K356-V358 VanDerWaalsContact C-N 3.32Å; K356-V358 PolarHBondContact O-N 3.22Å; K356-M359 PolarHBondContact O-N 2.85Å; K356-E360 WeakPolarHBondContact CE-OE1 3.2Å; K356-E360 IonicContact NZ-OE1 3.82Å; K356-E360 WeakPolarHBondContact O-CB 3.2Å; K356-E360 WeakPolarHBondContact O-CG 3.28Å; K356-E360 PolarHBondContact O-N 3.33Å
357	M	98	Very high	97.9	Very high	47 Å²	47	45.1 Å²	45.1	23%	0.232	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-36.6	176.8	-61.6	-173.7	-68.4	0	0	112.6	L251 Y354 I355 G361 W446	L251-M357 HydrophobicContact CD2-CE 4.04Å; L251-M357 HydrophobicContact CD2-SD 4.03Å; Y354-M357 HydrophobicContact CD1-CE 4.48Å; Y354-M357 HydrophobicContact CD2-CE 3.55Å; Y354-M357 HydrophobicContact CE2-CE 3.95Å; Y354-M357 HydrophobicContact CG-CE 3.88Å; Y354-M357 WeakPolarHBondContact O-CB 3.16Å; Y354-M357 PolarHBondContact O-N 3.29Å; I355-M357 VanDerWaalsContact C-N 3.33Å; I355-M357 PolarHBondContact O-N 3.43Å; M357-G361 PolarHBondContact O-N 3.25Å; M357-W446 HydrophobicContact CE-CD2 3.59Å; M357-W446 HydrophobicContact CE-CE3 3.69Å; M357-W446 HydrophobicContact CE-CG 4.31Å; M357-W446 HydrophobicContact CE-CH2 3.66Å; M357-W446 HydrophobicContact CE-CZ2 3.55Å; M357-W446 HydrophobicContact CE-CZ3 3.72Å; M357-W446 HydrophobicContact SD-CD2 4.32Å; M357-W446 HydrophobicContact SD-CZ2 4.08Å
358	V	98.2	Very high	97.9	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-42.2	175.6	174.7	0	0	0	0	111.4	K337 W345 Y354 I355 K356 G361	K337-V358 WeakPolarHBondContact CE-O 3.4Å; K337-V358 HydrophobicContact CG-CG1 4.37Å; W345-V358 HydrophobicContact CH2-CG2 3.98Å; Y354-V358 HydrophobicContact CD1-CG2 3.86Å; Y354-V358 HydrophobicContact CE1-CG2 3.99Å; Y354-V358 PolarHBondContact O-N 2.9Å; I355-V358 WeakPolarHBondContact O-CA 3.38Å; I355-V358 WeakPolarHBondContact O-CB 3.4Å; I355-V358 PolarHBondContact O-N 2.77Å; K356-V358 VanDerWaalsContact C-N 3.32Å; K356-V358 PolarHBondContact O-N 3.22Å; V358-G361 PolarHBondContact O-N 2.89Å
359	M	97.9	Very high	97.9	Very high	85 Å²	85	43.3 Å²	43.3	42%	0.419	23%	0.227	S	C	.	.	H	α-helix	trans	-68.9	-37.7	-179.6	-64.2	-61.2	-78.8	0	0	111.8	K337 I355 K356 G361	K337-M359 HydrophobicContact CB-SD 3.79Å; K337-M359 PolarHBondContact NZ-O 3.39Å; K337-M359 VanDerWaalsContact NZ-O 3.1Å; I355-M359 HydrophobicContact CG2-CG 3.93Å; I355-M359 VanDerWaalsContact O-CG 3.27Å; I355-M359 WeakPolarHBondContact O-CG 3.34Å; I355-M359 PolarHBondContact O-N 2.98Å; K356-M359 PolarHBondContact O-N 2.85Å; M359-G361 VanDerWaalsContact C-N 3.31Å
360	E	97.1	Very high	97.9	Very high	135 Å²	135	43 Å²	43	63%	0.631	22%	0.224	S	C	*	.	H	α-helix	trans	-74.3	-17.2	175.5	-70.3	170.8	172.9	0	0	113.5	K356	K356-E360 WeakPolarHBondContact CE-OE1 3.2Å; K356-E360 IonicContact NZ-OE1 3.82Å; K356-E360 WeakPolarHBondContact O-CB 3.2Å; K356-E360 WeakPolarHBondContact O-CG 3.28Å; K356-E360 PolarHBondContact O-N 3.33Å
361	G	95.9	Very high	98.1	Very high	23 Å²	23	41.8 Å²	41.8	24%	0.237	21%	0.211	C	C	.	.	S	Bend	trans	-70.3	179.7	177.5	0	0	0	0	0	114	K337 M357 V358 M359	K337-G361 VanDerWaalsContact CE-O 3.26Å; K337-G361 WeakPolarHBondContact CE-O 3.43Å; K337-G361 PolarHBondContact NZ-O 3.42Å; M357-G361 PolarHBondContact O-N 3.25Å; V358-G361 PolarHBondContact O-N 2.89Å; M359-G361 VanDerWaalsContact C-N 3.31Å
362	G	97.3	Very high	98.2	Very high	16 Å²	16	35.9 Å²	35.9	17%	0.165	18%	0.184	C	C	.	.			trans	-67.5	157.4	177.9	0	0	0	0	0	115	V301 H335 K337 W364	V301-G362 CarbonylContact O-C 3.57Å; V301-G362 VanDerWaalsContact O-CA 3.23Å; V301-G362 WeakPolarHBondContact O-CA 3.34Å; H335-G362 PolarHBondContact ND1-O 2.77Å; K337-G362 WeakPolarHBondContact CE-O 3.33Å; G362-W364 VanDerWaalsContact C-N 3.31Å
363	D	98.2	Very high	98.2	Very high	97 Å²	97	36.3 Å²	36.3	52%	0.519	19%	0.186	S	C	.	.	S	Bend	trans	-84.2	-4.7	-179.8	-65.7	-33.5	0	0	0	113.8	V301 H335 K337	V301-D363 PolarHBondContact O-N 3.23Å; H335-D363 WeakPolarHBondContact CA-O 3.41Å; H335-D363 VanDerWaalsContact CB-C 3.43Å; H335-D363 VanDerWaalsContact CB-O 3.24Å; H335-D363 WeakPolarHBondContact CB-O 3.3Å; H335-D363 PolarHBondContact N-O 3.46Å; K337-D363 WeakPolarHBondContact CE-OD1 3.46Å; K337-D363 IonicContact NZ-OD1 3.97Å; K337-D363 PolarHBondContact NZ-OD1 3.33Å
364	W	98.8	Very high	98.1	Very high	77 Å²	77	40.6 Å²	40.6	29%	0.292	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.9	173.5	-68.3	84.8	0	0	0	110.1	P300 V301 K306 F332 Y333 G362	P300-W364 CarbonylContact C-O 3.59Å; P300-W364 VanDerWaalsContact CA-O 3.3Å; P300-W364 WeakPolarHBondContact CA-O 3.31Å; V301-W364 HydrophobicContact CG2-CB 3.82Å; V301-W364 PolarHBondContact N-O 2.86Å; V301-W364 PolarHBondContact O-N 3.35Å; V301-W364 VanDerWaalsContact O-N 3.13Å; K306-W364 HydrophobicContact CB-CB 4.24Å; K306-W364 HydrophobicContact CB-CD2 4.33Å; K306-W364 HydrophobicContact CB-CG 3.97Å; K306-W364 HydrophobicContact CD-CD2 4.26Å; K306-W364 HydrophobicContact CD-CE3 4.43Å; K306-W364 HydrophobicContact CD-CZ2 4.41Å; K306-W364 HydrophobicContact CG-CB 4.38Å; K306-W364 HydrophobicContact CG-CD2 3.78Å; K306-W364 HydrophobicContact CG-CE3 4Å; K306-W364 HydrophobicContact CG-CG 3.94Å; F332-W364 HydrophobicContact CB-CE3 4.29Å; Y333-W364 VanDerWaalsContact C-CE3 3.49Å; Y333-W364 WeakPolarHBondContact O-CA 3.29Å; G362-W364 VanDerWaalsContact C-N 3.31Å
365	L	98.9	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	146.4	167.4	-63.2	179	0	0	0	108.4	F276 V298 L299 P300 F332 Y333 H335	F276-L365 HydrophobicContact CD2-CD1 4.21Å; F276-L365 HydrophobicContact CE2-CD1 4.05Å; F276-L365 HydrophobicContact CZ-CD1 4.29Å; V298-L365 HydrophobicContact CB-CD1 3.99Å; V298-L365 HydrophobicContact CB-CD2 3.92Å; V298-L365 HydrophobicContact CB-CG 4.39Å; V298-L365 HydrophobicContact CG1-CD1 3.99Å; V298-L365 HydrophobicContact CG2-CD1 4.02Å; V298-L365 HydrophobicContact CG2-CD2 3.7Å; V298-L365 HydrophobicContact CG2-CG 4.47Å; L299-L365 WeakPolarHBondContact O-CA 3.45Å; P300-L365 HydrophobicContact CB-CD2 4.03Å; F332-L365 WeakPolarHBondContact CA-O 3.43Å; Y333-L365 HydrophobicContact CD1-CB 4.3Å; Y333-L365 HydrophobicContact CD2-CB 4.18Å; Y333-L365 HydrophobicContact CD2-CD1 4.36Å; Y333-L365 HydrophobicContact CE1-CB 3.82Å; Y333-L365 HydrophobicContact CE2-CB 3.71Å; Y333-L365 HydrophobicContact CE2-CD1 3.5Å; Y333-L365 VanDerWaalsContact CE2-CD1 3.5Å; Y333-L365 HydrophobicContact CE2-CG 4.16Å; Y333-L365 HydrophobicContact CG-CB 4.45Å; Y333-L365 VanDerWaalsContact CZ-CB 3.49Å; Y333-L365 PolarHBondContact N-O 3.21Å; Y333-L365 PolarHBondContact O-N 2.79Å; H335-L365 HydrophobicContact CB-CD1 4.42Å; H335-L365 HydrophobicContact CB-CD2 4.02Å; H335-L365 HydrophobicContact CB-CG 3.74Å
366	V	98.8	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.4	170.3	66.6	0	0	0	0	110.1	I246 L299 V301 L327 P330 E331 F332	I246-V366 HydrophobicContact CD1-CG1 4.21Å; L299-V366 HydrophobicContact CB-CG1 3.87Å; L299-V366 HydrophobicContact CD2-CG1 3.68Å; L299-V366 HydrophobicContact CG-CG1 3.84Å; L299-V366 PolarHBondContact O-N 2.8Å; V301-V366 HydrophobicContact CG1-CG1 3.87Å; L327-V366 HydrophobicContact CD2-CG1 4.04Å; L327-V366 HydrophobicContact CD2-CG2 3.77Å; P330-V366 HydrophobicContact CB-CG2 3.71Å; E331-V366 WeakPolarHBondContact O-CA 3.4Å; F332-V366 HydrophobicContact CD1-CB 3.75Å; F332-V366 HydrophobicContact CD1-CG2 3.81Å; F332-V366 HydrophobicContact CD2-CG2 4.47Å; F332-V366 HydrophobicContact CE1-CB 3.64Å; F332-V366 HydrophobicContact CE1-CG1 4.49Å; F332-V366 HydrophobicContact CE1-CG2 3.5Å; F332-V366 VanDerWaalsContact CE1-CG2 3.5Å; F332-V366 HydrophobicContact CE2-CG2 4.19Å; F332-V366 HydrophobicContact CG-CG2 4.29Å; F332-V366 HydrophobicContact CZ-CB 4.36Å; F332-V366 HydrophobicContact CZ-CG2 3.7Å
367	G	98.8	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	160.8	172.1	0	0	0	0	0	111.1	F270 M271 P330 E331	F270-G367 VanDerWaalsContact O-CA 3.24Å; F270-G367 WeakPolarHBondContact O-CA 3.41Å; M271-G367 WeakPolarHBondContact O-CA 3.47Å; P330-G367 CarbonylContact C-O 3.18Å; P330-G367 VanDerWaalsContact CA-O 3.27Å; P330-G367 WeakPolarHBondContact CA-O 3.38Å; E331-G367 PolarHBondContact N-O 3.02Å; E331-G367 PolarHBondContact O-N 3.33Å
368	G	98.4	Very high	97.9	Very high	3 Å²	3	47 Å²	47	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.8	178.7	-179.5	0	0	0	0	0	113.9	G269 F270	G269-G368 WeakPolarHBondContact CA-O 3.33Å; F270-G368 PolarHBondContact O-N 2.85Å
369	D	98.6	Very high	97.8	Very high	48 Å²	48	53.2 Å²	53.2	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.2	175.8	-52.3	-57.7	0	0	0	108.7	R272 L327 R328 N329	R272-D369 IonicContact NH2-OD2 3.95Å; L327-D369 CarbonylContact C-O 3.59Å; L327-D369 WeakPolarHBondContact CA-O 3.34Å; R328-D369 HydrophobicContact CB-CB 4.37Å; R328-D369 PolarHBondContact N-O 2.68Å; R328-D369 PolarHBondContact O-N 3.26Å; N329-D369 PolarHBondContact ND2-OD2 2.95Å
370	L	98.7	Very high	97.8	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.8	-173.8	-170.3	72.2	0	0	0	110.5	L226 V256 L259 K268 G269 F270 L317 A325 I326 L327 V372	L226-L370 HydrophobicContact CD1-CB 4.19Å; V256-L370 HydrophobicContact CG1-CD2 4.41Å; L259-L370 HydrophobicContact CB-CD2 4Å; L259-L370 HydrophobicContact CD1-CD2 3.91Å; K268-L370 PolarHBondContact O-N 3.2Å; G269-L370 VanDerWaalsContact CA-CB 3.49Å; F270-L370 HydrophobicContact CD2-CD1 4.49Å; F270-L370 HydrophobicContact CE2-CD1 4.41Å; F270-L370 HydrophobicContact CE2-CD2 4.45Å; L317-L370 HydrophobicContact CD1-CD1 3.74Å; A325-L370 HydrophobicContact CB-CD1 3.8Å; A325-L370 HydrophobicContact CB-CG 4.4Å; I326-L370 WeakPolarHBondContact O-CA 3.3Å; L327-L370 HydrophobicContact CB-CD1 4.47Å; L327-L370 HydrophobicContact CD1-CB 4.32Å; L327-L370 HydrophobicContact CD1-CD1 4.06Å; L370-V372 HydrophobicContact CD2-CG2 3.75Å; L370-V372 HydrophobicContact CG-CG2 3.87Å
371	E	98.4	Very high	97.8	Very high	61 Å²	61	48.9 Å²	48.9	29%	0.285	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	104.4	172	-71.9	176.4	-174.6	0	0	108.4	V228 A325 I326 R328	V228-E371 HydrophobicContact CG2-CB 3.84Å; A325-E371 CarbonylContact C-O 3.57Å; A325-E371 WeakPolarHBondContact CA-O 3.47Å; A325-E371 WeakPolarHBondContact CB-O 3.33Å; I326-E371 HydrophobicContact CB-CB 4.33Å; I326-E371 PolarHBondContact N-O 3.31Å; I326-E371 PolarHBondContact O-N 3.29Å; R328-E371 WeakPolarHBondContact CD-OE1 3.29Å; R328-E371 IonicContact CZ-OE1 2.95Å; R328-E371 IonicContact CZ-OE2 3.99Å; R328-E371 IonicContact NE-OE1 3.78Å; R328-E371 PolarHBondContact NE-OE1 2.86Å; R328-E371 IonicContact NE-OE2 3.9Å; R328-E371 PolarHBondContact NE-OE2 2.78Å; R328-E371 IonicContact NH2-OE1 3.93Å; R328-E371 IonicContact NH2-OE2 2.84Å; R328-E371 PolarHBondContact NH2-OE2 2.84Å
372	V	98.6	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.5	-178.7	-176.2	0	0	0	0	109.2	L226 F227 V228 V256 A260 A325 L370 I376	L226-V372 PolarHBondContact O-N 2.72Å; F227-V372 CarbonylContact C-O 3.5Å; F227-V372 WeakPolarHBondContact CA-O 3.49Å; F227-V372 HydrophobicContact CD1-CB 4.06Å; F227-V372 HydrophobicContact CD1-CG1 3.99Å; F227-V372 HydrophobicContact CE1-CB 4.42Å; F227-V372 HydrophobicContact CE1-CG1 3.98Å; V228-V372 PolarHBondContact N-O 2.73Å; V256-V372 HydrophobicContact CG1-CG1 4.18Å; V256-V372 HydrophobicContact CG1-CG2 3.82Å; A260-V372 HydrophobicContact CB-CB 3.92Å; A260-V372 HydrophobicContact CB-CG1 3.95Å; A260-V372 HydrophobicContact CB-CG2 3.7Å; A325-V372 HydrophobicContact CB-CB 4.47Å; A325-V372 HydrophobicContact CB-CG2 4.1Å; L370-V372 HydrophobicContact CD2-CG2 3.75Å; L370-V372 HydrophobicContact CG-CG2 3.87Å; V372-I376 HydrophobicContact CG1-CD1 4.28Å
373	L	98	Very high	98	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.047	25%	0.249	C	C	.	.			trans	-69.1	-58.7	-169.8	-60.5	177.6	0	0	0	110.4	V228 L233 A236 I237 A240 R323 V324 I326	V228-L373 HydrophobicContact CG2-CD2 4.26Å; L233-L373 HydrophobicContact CD1-CB 4.06Å; L233-L373 WeakPolarHBondContact CD1-O 3.5Å; A236-L373 HydrophobicContact CB-CD2 3.63Å; I237-L373 HydrophobicContact CG1-CD1 4.26Å; A240-L373 HydrophobicContact CB-CD1 3.89Å; R323-L373 HydrophobicContact CB-CD1 4.5Å; R323-L373 WeakPolarHBondContact O-CD1 3.26Å; V324-L373 PolarHBondContact O-N 2.74Å; I326-L373 HydrophobicContact CD1-CD2 4.32Å; I326-L373 HydrophobicContact CG1-CD2 4.36Å
374	E	95.3	Very high	98	Very high	123 Å²	123	50.5 Å²	50.5	58%	0.575	25%	0.251	S	S	*	.	S	Bend	trans	-123.1	157.3	-176	-63	-172.9	146.5	0	0	111.4	L233 I376	L233-E374 HydrophobicContact CD1-CG 4.31Å; L233-E374 HydrophobicContact CD2-CG 4.2Å; E374-I376 PolarHBondContact O-N 2.87Å
375	R	96.8	Very high	98	Very high	98 Å²	98	50.7 Å²	50.7	37%	0.37	25%	0.252	S	S	.	.			trans	-59.8	125.1	172.5	-178.2	172.9	-178.9	162.9	2.9	110	F227 K377 R386 E391	F227-R375 HydrophobicContact CE1-CB 4.37Å; F227-R375 HydrophobicContact CZ-CG 4.42Å; R375-K377 PolarHBondContact O-N 2.76Å; R375-R386 PolarHBondContact NH2-O 2.75Å; R375-E391 IonicContact CZ-OE1 2.65Å; R375-E391 IonicContact CZ-OE2 3.15Å; R375-E391 IonicContact NH1-OE1 2.71Å; R375-E391 PolarHBondContact NH1-OE1 3.23Å; R375-E391 IonicContact NH1-OE2 3.67Å; R375-E391 IonicContact NH2-OE1 2.71Å; R375-E391 PolarHBondContact NH2-OE1 2.88Å; R375-E391 IonicContact NH2-OE2 3.85Å; R375-E391 PolarHBondContact NH2-OE2 2.98Å
376	I	98.1	Very high	97.9	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.077	25%	0.253	C	S	.	.			trans	-66.8	123.1	177.3	-52.9	-51.6	0	0	0	109.8	L253 Q257 V372 E374 W378	L253-I376 HydrophobicContact CD1-CD1 3.92Å; L253-I376 HydrophobicContact CD2-CG2 4.34Å; L253-I376 HydrophobicContact CG-CG2 4.24Å; Q257-I376 HydrophobicContact CB-CB 4.13Å; Q257-I376 HydrophobicContact CB-CG1 4.09Å; Q257-I376 HydrophobicContact CB-CG2 4.3Å; Q257-I376 HydrophobicContact CG-CB 4.13Å; Q257-I376 HydrophobicContact CG-CG1 4.47Å; V372-I376 HydrophobicContact CG1-CD1 4.28Å; E374-I376 PolarHBondContact O-N 2.87Å; I376-W378 HydrophobicContact CG2-CZ2 4.39Å
377	K	97.2	Very high	97.9	Very high	135 Å²	135	52 Å²	52	59%	0.587	26%	0.258	S	S	*	.			trans	-123.5	140.6	174	-65.9	-176.4	-177.6	176.9	0	109.5	R375	R375-K377 PolarHBondContact O-N 2.76Å
378	W	97.8	Very high	97.9	Very high	47 Å²	47	52.2 Å²	52.2	18%	0.178	26%	0.259	C	S	.	.			trans	-97.6	-16.1	-178.3	-65.4	88.9	0	0	0	112.9	K250 L253 Q254 I376 D380 D383 R386	K250-W378 HydrophobicContact CD-CZ3 4.11Å; K250-W378 HydrophobicContact CG-CH2 3.95Å; K250-W378 HydrophobicContact CG-CZ3 3.74Å; L253-W378 HydrophobicContact CB-CH2 4.44Å; L253-W378 HydrophobicContact CD2-CH2 3.93Å; L253-W378 HydrophobicContact CD2-CZ3 4.19Å; L253-W378 HydrophobicContact CG-CH2 4.28Å; Q254-W378 HydrophobicContact CB-CZ2 4.45Å; Q254-W378 HydrophobicContact CG-CH2 3.51Å; Q254-W378 HydrophobicContact CG-CZ2 3.44Å; Q254-W378 VanDerWaalsContact CG-CZ2 3.44Å; I376-W378 HydrophobicContact CG2-CZ2 4.39Å; W378-D380 HydrophobicContact CB-CB 4.47Å; W378-D380 PolarHBondContact O-N 3.44Å; W378-D380 VanDerWaalsContact O-N 3.12Å; W378-D383 PolarHBondContact N-OD1 3.19Å; W378-D383 PolarHBondContact N-OD2 2.81Å; W378-R386 VanDerWaalsContact CD1-CD 3.42Å; W378-R386 VanDerWaalsContact CD1-CZ 3.48Å
379	N	97.1	Very high	97.9	Very high	138 Å²	138	52.1 Å²	52.1	74%	0.738	26%	0.258	S	S	*	.			trans	51	34	-179.8	-57.9	-53.9	0	0	0	112.9	D383	N379-D383 WeakPolarHBondContact CA-OD2 3.39Å; N379-D383 PolarHBondContact N-OD2 3.45Å
380	D	97.1	Very high	97.8	Very high	76 Å²	76	54.2 Å²	54.2	41%	0.406	27%	0.265	S	S	.	.	S	Bend	trans	-102	11	-177.3	68.8	-12.2	0	0	0	112.9	W378 L382 R386	W378-D380 HydrophobicContact CB-CB 4.47Å; W378-D380 PolarHBondContact O-N 3.44Å; W378-D380 VanDerWaalsContact O-N 3.12Å; D380-L382 VanDerWaalsContact C-N 3.31Å; D380-L382 WeakPolarHBondContact OD1-CB 3.14Å; D380-L382 PolarHBondContact OD1-N 3.46Å; D380-R386 IonicContact OD1-CZ 2.97Å; D380-R386 IonicContact OD1-NH1 2.72Å; D380-R386 PolarHBondContact OD1-NH1 2.93Å; D380-R386 IonicContact OD1-NH2 2.84Å; D380-R386 PolarHBondContact OD1-NH2 2.6Å; D380-R386 IonicContact OD2-CZ 3.83Å; D380-R386 IonicContact OD2-NH1 3.9Å; D380-R386 IonicContact OD2-NH2 3.19Å; D380-R386 PolarHBondContact OD2-NH2 2.81Å
381	G	97.9	Very high	97.8	Very high	54 Å²	54	56.9 Å²	56.9	56%	0.557	28%	0.277	S	S	*	.	S	Bend	trans	78.2	9.9	-176.2	0	0	0	0	0	114.7	Q384	G381-Q384 PolarHBondContact O-NE2 3.26Å; G381-Q384 PolarHBondContact O-OE1 2.83Å
382	L	98.4	Very high	97.7	Very high	18 Å²	18	54 Å²	54	9%	0.094	26%	0.264	C	S	.	.			trans	-121	2.5	-179.8	-59.1	174.3	0	0	0	114.2	D380 Q384 Y385 R386 L454 M458 I479	D380-L382 VanDerWaalsContact C-N 3.31Å; D380-L382 WeakPolarHBondContact OD1-CB 3.14Å; D380-L382 PolarHBondContact OD1-N 3.46Å; L382-Q384 VanDerWaalsContact C-OE1 3.23Å; L382-Q384 PolarHBondContact O-N 2.79Å; L382-Q384 VanDerWaalsContact O-N 3.17Å; L382-Y385 HydrophobicContact CB-CD2 4.43Å; L382-Y385 HydrophobicContact CD2-CD2 4.07Å; L382-Y385 HydrophobicContact CD2-CE2 4.19Å; L382-Y385 WeakPolarHBondContact O-CB 3.18Å; L382-Y385 PolarHBondContact O-N 3.15Å; L382-R386 VanDerWaalsContact C-NH1 3.35Å; L382-L454 HydrophobicContact CD1-CD2 4.06Å; L382-L454 HydrophobicContact CD1-CG 3.95Å; L382-M458 HydrophobicContact CD1-CG 4.19Å; L382-M458 HydrophobicContact CD2-CB 4.07Å; L382-M458 HydrophobicContact CD2-CG 4.13Å; L382-I479 HydrophobicContact CB-CD1 3.83Å; L382-I479 HydrophobicContact CD1-CD1 4.32Å
383	D	98.3	Very high	97.6	Very high	34 Å²	34	57.6 Å²	57.6	18%	0.182	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.2	-28	-177.2	-71.9	-38	0	0	0	113.3	W378 N379 Y385 R386	W378-D383 PolarHBondContact N-OD1 3.19Å; W378-D383 PolarHBondContact N-OD2 2.81Å; N379-D383 WeakPolarHBondContact CA-OD2 3.39Å; N379-D383 PolarHBondContact N-OD2 3.45Å; D383-Y385 PolarHBondContact O-N 3.48Å; D383-Y385 VanDerWaalsContact O-N 3.14Å; D383-R386 PolarHBondContact O-N 3.44Å; D383-R386 IonicContact OD1-CZ 3.32Å; D383-R386 IonicContact OD1-NE 2.76Å; D383-R386 IonicContact OD1-NH1 3.5Å; D383-R386 PolarHBondContact OD1-NH1 3.39Å
384	Q	97.7	Very high	97.4	Very high	118 Å²	118	61.8 Å²	61.8	55%	0.551	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-61.7	-18.4	173.3	71	-80.3	13.9	0	0	114	G381 L382	G381-Q384 PolarHBondContact O-NE2 3.26Å; G381-Q384 PolarHBondContact O-OE1 2.83Å; L382-Q384 VanDerWaalsContact C-OE1 3.23Å; L382-Q384 PolarHBondContact O-N 2.79Å; L382-Q384 VanDerWaalsContact O-N 3.17Å
385	Y	98.4	Very high	97.5	Very high	80 Å²	80	60.2 Å²	60.2	31%	0.314	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-96.3	-10.1	174.4	-60.5	-76.2	0	0	0	112.6	L382 D383 L387 M458 A478 I479	L382-Y385 HydrophobicContact CB-CD2 4.43Å; L382-Y385 HydrophobicContact CD2-CD2 4.07Å; L382-Y385 HydrophobicContact CD2-CE2 4.19Å; L382-Y385 WeakPolarHBondContact O-CB 3.18Å; L382-Y385 PolarHBondContact O-N 3.15Å; D383-Y385 PolarHBondContact O-N 3.48Å; D383-Y385 VanDerWaalsContact O-N 3.14Å; Y385-L387 VanDerWaalsContact C-N 3.27Å; Y385-L387 PolarHBondContact O-N 3.08Å; Y385-M458 HydrophobicContact CD1-CE 3.72Å; Y385-M458 HydrophobicContact CD2-CE 3.73Å; Y385-M458 HydrophobicContact CE1-CE 4.09Å; Y385-M458 HydrophobicContact CE2-CE 4.08Å; Y385-M458 HydrophobicContact CG-CE 3.53Å; Y385-A478 CarbonylContact O-C 3.57Å; Y385-A478 VanDerWaalsContact O-CA 3.27Å; Y385-A478 WeakPolarHBondContact O-CA 3.34Å; Y385-I479 HydrophobicContact CG-CD1 4.48Å; Y385-I479 PolarHBondContact O-N 3.02Å
386	R	98.5	Very high	97.5	Very high	10 Å²	10	56 Å²	56	4%	0.038	27%	0.274	C	S	.	.			trans	-86.4	71.3	-179.9	-66.6	-175.2	178.8	88.9	5.8	110.5	R375 W378 D380 L382 D383 I479	R375-R386 PolarHBondContact NH2-O 2.75Å; W378-R386 VanDerWaalsContact CD1-CD 3.42Å; W378-R386 VanDerWaalsContact CD1-CZ 3.48Å; D380-R386 IonicContact OD1-CZ 2.97Å; D380-R386 IonicContact OD1-NH1 2.72Å; D380-R386 PolarHBondContact OD1-NH1 2.93Å; D380-R386 IonicContact OD1-NH2 2.84Å; D380-R386 PolarHBondContact OD1-NH2 2.6Å; D380-R386 IonicContact OD2-CZ 3.83Å; D380-R386 IonicContact OD2-NH1 3.9Å; D380-R386 IonicContact OD2-NH2 3.19Å; D380-R386 PolarHBondContact OD2-NH2 2.81Å; L382-R386 VanDerWaalsContact C-NH1 3.35Å; D383-R386 PolarHBondContact O-N 3.44Å; D383-R386 IonicContact OD1-CZ 3.32Å; D383-R386 IonicContact OD1-NE 2.76Å; D383-R386 IonicContact OD1-NH1 3.5Å; D383-R386 PolarHBondContact OD1-NH1 3.39Å; R386-I479 HydrophobicContact CG-CB 4.03Å; R386-I479 HydrophobicContact CG-CD1 4.43Å; R386-I479 HydrophobicContact CG-CG2 4.19Å
387	L	98.6	Very high	97.2	Very high	19 Å²	19	61.2 Å²	61.2	10%	0.099	30%	0.296	C	S	.	.			trans	-82.8	131.9	-179.1	-56.3	177	0	0	0	110.3	Y385 E391 L392 K395 I476 A478	Y385-L387 VanDerWaalsContact C-N 3.27Å; Y385-L387 PolarHBondContact O-N 3.08Å; L387-E391 VanDerWaalsContact CA-OE2 3.28Å; L387-E391 WeakPolarHBondContact CA-OE2 3.26Å; L387-E391 HydrophobicContact CB-CB 4.22Å; L387-L392 HydrophobicContact CB-CD2 4.01Å; L387-L392 HydrophobicContact CB-CG 3.92Å; L387-L392 HydrophobicContact CD1-CD2 3.81Å; L387-K395 HydrophobicContact CD1-CD 3.59Å; L387-K395 VanDerWaalsContact CD1-CE 3.41Å; L387-I476 HydrophobicContact CD1-CG2 4.42Å; L387-A478 HydrophobicContact CB-CB 4.43Å; L387-A478 HydrophobicContact CD1-CB 4.11Å; L387-A478 HydrophobicContact CG-CB 4.41Å
388	T	98.6	Very high	97.1	Very high	4 Å²	4	60 Å²	60	3%	0.025	30%	0.296	C	S	.	.			trans	-68.8	162.3	173.5	82.1	0	0	0	0	110.5	E225 E261 K390 E391 L392	E225-T388 PolarHBondContact OE1-OG1 3.36Å; E261-T388 HydrophobicContact CB-CG2 4.21Å; E261-T388 HydrophobicContact CG-CG2 3.8Å; T388-K390 PolarHBondContact O-N 3.43Å; T388-K390 PolarHBondContact OG1-N 3.08Å; T388-E391 PolarHBondContact N-OE2 3.24Å; T388-E391 PolarHBondContact O-N 3.07Å; T388-E391 VanDerWaalsContact O-N 3.12Å; T388-E391 PolarHBondContact OG1-N 2.93Å; T388-L392 WeakPolarHBondContact O-CG 3.46Å; T388-L392 PolarHBondContact O-N 2.91Å
389	P	98	Very high	97	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-53.2	-37	171.8	-26.3	35.3	0	0	0	113.4	V223 E261 W263 L392 K393 I501 A502	V223-P389 HydrophobicContact CG1-CB 3.84Å; V223-P389 HydrophobicContact CG1-CG 4.17Å; V223-P389 HydrophobicContact CG2-CB 3.83Å; E261-P389 WeakPolarHBondContact O-CD 3.42Å; E261-P389 WeakPolarHBondContact O-CG 3.44Å; W263-P389 HydrophobicContact CD2-CG 3.6Å; W263-P389 HydrophobicContact CE3-CG 3.78Å; W263-P389 HydrophobicContact CG-CG 4.1Å; W263-P389 HydrophobicContact CH2-CG 4.1Å; W263-P389 HydrophobicContact CZ2-CG 3.95Å; W263-P389 HydrophobicContact CZ3-CG 4.04Å; P389-L392 PolarHBondContact O-N 2.86Å; P389-K393 WeakPolarHBondContact O-CG 3.41Å; P389-K393 PolarHBondContact O-N 2.86Å; P389-I501 HydrophobicContact CB-CG2 3.96Å; P389-I501 HydrophobicContact CG-CG2 4.13Å; P389-A502 HydrophobicContact CB-CB 4.23Å
390	K	95.9	Very high	96.8	Very high	93 Å²	93	61.4 Å²	61.4	40%	0.404	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-44.2	175.6	-69.6	-171.3	-172.8	161.8	0	112	V223 E225 T388 L392 K393 Q394	V223-K390 HydrophobicContact CB-CG 3.83Å; V223-K390 HydrophobicContact CG1-CG 4Å; V223-K390 HydrophobicContact CG2-CG 4.17Å; V223-K390 VanDerWaalsContact O-CE 3.28Å; V223-K390 WeakPolarHBondContact O-CE 3.14Å; E225-K390 HydrophobicContact CG-CD 4.38Å; E225-K390 WeakPolarHBondContact OE2-CD 3.35Å; E225-K390 WeakPolarHBondContact OE2-CE 3.45Å; E225-K390 IonicContact OE2-NZ 2.66Å; E225-K390 PolarHBondContact OE2-NZ 3.34Å; T388-K390 PolarHBondContact O-N 3.43Å; T388-K390 PolarHBondContact OG1-N 3.08Å; K390-L392 VanDerWaalsContact C-N 3.31Å; K390-L392 PolarHBondContact O-N 3.13Å; K390-K393 PolarHBondContact O-N 3.38Å; K390-Q394 PolarHBondContact O-N 3.09Å
391	E	98.1	Very high	96.7	Very high	63 Å²	63	58.9 Å²	58.9	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-36.6	176.8	-67.7	175.6	145	0	0	112.1	R375 L387 T388 Q394 K395	R375-E391 IonicContact CZ-OE1 2.65Å; R375-E391 IonicContact CZ-OE2 3.15Å; R375-E391 IonicContact NH1-OE1 2.71Å; R375-E391 PolarHBondContact NH1-OE1 3.23Å; R375-E391 IonicContact NH1-OE2 3.67Å; R375-E391 IonicContact NH2-OE1 2.71Å; R375-E391 PolarHBondContact NH2-OE1 2.88Å; R375-E391 IonicContact NH2-OE2 3.85Å; R375-E391 PolarHBondContact NH2-OE2 2.98Å; L387-E391 VanDerWaalsContact CA-OE2 3.28Å; L387-E391 WeakPolarHBondContact CA-OE2 3.26Å; L387-E391 HydrophobicContact CB-CB 4.22Å; T388-E391 PolarHBondContact N-OE2 3.24Å; T388-E391 PolarHBondContact O-N 3.07Å; T388-E391 VanDerWaalsContact O-N 3.12Å; T388-E391 PolarHBondContact OG1-N 2.93Å; E391-Q394 PolarHBondContact O-N 3.3Å; E391-K395 WeakPolarHBondContact O-CG 3.34Å; E391-K395 PolarHBondContact O-N 3Å
392	L	98.3	Very high	96.1	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-49.7	173.2	-75.2	172.1	0	0	0	111.6	W263 L387 T388 P389 K390 Q394 K395 F396 L439 I476 A478 A502	W263-L392 HydrophobicContact CH2-CD1 3.69Å; W263-L392 HydrophobicContact CZ2-CD1 4.45Å; L387-L392 HydrophobicContact CB-CD2 4.01Å; L387-L392 HydrophobicContact CB-CG 3.92Å; L387-L392 HydrophobicContact CD1-CD2 3.81Å; T388-L392 WeakPolarHBondContact O-CG 3.46Å; T388-L392 PolarHBondContact O-N 2.91Å; P389-L392 PolarHBondContact O-N 2.86Å; K390-L392 VanDerWaalsContact C-N 3.31Å; K390-L392 PolarHBondContact O-N 3.13Å; L392-Q394 VanDerWaalsContact C-N 3.27Å; L392-Q394 PolarHBondContact O-N 3.41Å; L392-K395 PolarHBondContact O-N 2.84Å; L392-K395 VanDerWaalsContact O-N 3.11Å; L392-F396 HydrophobicContact CB-CE2 3.93Å; L392-F396 HydrophobicContact CB-CZ 4.37Å; L392-F396 HydrophobicContact CD2-CZ 4.44Å; L392-F396 WeakPolarHBondContact O-CD2 3.45Å; L392-F396 VanDerWaalsContact O-CG 3.32Å; L392-F396 WeakPolarHBondContact O-CG 3.35Å; L392-F396 PolarHBondContact O-N 2.73Å; L392-L439 HydrophobicContact CD1-CD2 4.48Å; L392-L439 HydrophobicContact CD2-CD1 3.79Å; L392-I476 HydrophobicContact CD2-CG2 3.96Å; L392-A478 HydrophobicContact CD2-CB 3.85Å; L392-A502 HydrophobicContact CB-CB 4.49Å; L392-A502 HydrophobicContact CD1-CB 3.86Å
393	K	95	Very high	95.8	Very high	76 Å²	76	58.1 Å²	58.1	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-55.2	-43.6	174.7	-74.6	-175.3	-176.2	-178.3	0	111.8	E221 P389 K390 F396 K397 I501 A502	E221-K393 PolarHBondContact O-NZ 3.38Å; P389-K393 WeakPolarHBondContact O-CG 3.41Å; P389-K393 PolarHBondContact O-N 2.86Å; K390-K393 PolarHBondContact O-N 3.38Å; K393-F396 PolarHBondContact O-N 3.07Å; K393-K397 PolarHBondContact O-N 2.86Å; K393-K397 VanDerWaalsContact O-N 3.08Å; K393-I501 WeakPolarHBondContact CE-O 3.36Å; K393-I501 PolarHBondContact NZ-O 3.5Å; K393-I501 VanDerWaalsContact NZ-O 3.12Å; K393-A502 WeakPolarHBondContact CG-O 3.44Å
394	Q	94.7	Very high	95.8	Very high	97 Å²	97	57.2 Å²	57.2	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-45.5	176.1	-173.4	58.8	51.9	0	0	111.6	K390 E391 L392 F396 K397 D398	K390-Q394 PolarHBondContact O-N 3.09Å; E391-Q394 PolarHBondContact O-N 3.3Å; L392-Q394 VanDerWaalsContact C-N 3.27Å; L392-Q394 PolarHBondContact O-N 3.41Å; Q394-F396 VanDerWaalsContact C-N 3.35Å; Q394-F396 PolarHBondContact O-N 3.19Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 3.06Å; Q394-K397 VanDerWaalsContact O-N 3.13Å; Q394-D398 PolarHBondContact NE2-OD1 3.12Å; Q394-D398 PolarHBondContact O-N 3.05Å
395	K	97.3	Very high	95.8	Very high	90 Å²	90	51.7 Å²	51.7	39%	0.391	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-39.7	176.3	-79	-172.2	-179.7	-72.4	0	113.2	L387 E391 L392 K397 D398 M399 I476	L387-K395 HydrophobicContact CD1-CD 3.59Å; L387-K395 VanDerWaalsContact CD1-CE 3.41Å; E391-K395 WeakPolarHBondContact O-CG 3.34Å; E391-K395 PolarHBondContact O-N 3Å; L392-K395 PolarHBondContact O-N 2.84Å; L392-K395 VanDerWaalsContact O-N 3.11Å; K395-K397 VanDerWaalsContact C-N 3.28Å; K395-K397 PolarHBondContact O-N 3.42Å; K395-D398 PolarHBondContact O-N 3.21Å; K395-M399 WeakPolarHBondContact O-CB 3.38Å; K395-M399 VanDerWaalsContact O-CG 3.29Å; K395-M399 WeakPolarHBondContact O-CG 3.33Å; K395-M399 PolarHBondContact O-N 2.87Å; K395-I476 HydrophobicContact CB-CD1 3.79Å; K395-I476 HydrophobicContact CD-CD1 4.48Å
396	F	96.3	Very high	95.8	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.039	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-40.1	175.2	-61.2	-47.3	0	0	0	111.4	L392 K393 Q394 M399 Q400 A401 I404 V437 L439 I476 A502	L392-F396 HydrophobicContact CB-CE2 3.93Å; L392-F396 HydrophobicContact CB-CZ 4.37Å; L392-F396 HydrophobicContact CD2-CZ 4.44Å; L392-F396 WeakPolarHBondContact O-CD2 3.45Å; L392-F396 VanDerWaalsContact O-CG 3.32Å; L392-F396 WeakPolarHBondContact O-CG 3.35Å; L392-F396 PolarHBondContact O-N 2.73Å; K393-F396 PolarHBondContact O-N 3.07Å; Q394-F396 VanDerWaalsContact C-N 3.35Å; Q394-F396 PolarHBondContact O-N 3.19Å; F396-M399 PolarHBondContact O-N 3.01Å; F396-Q400 PolarHBondContact O-N 3.05Å; F396-A401 HydrophobicContact CB-CB 4.19Å; F396-A401 WeakPolarHBondContact O-CB 3.45Å; F396-A401 PolarHBondContact O-N 2.69Å; F396-I404 HydrophobicContact CB-CD1 4.25Å; F396-I404 HydrophobicContact CB-CG1 4.05Å; F396-I404 HydrophobicContact CD1-CG1 3.68Å; F396-I404 HydrophobicContact CD1-CG2 4.19Å; F396-I404 HydrophobicContact CD2-CG1 3.87Å; F396-I404 HydrophobicContact CD2-CG2 4.36Å; F396-I404 HydrophobicContact CE1-CG1 4.07Å; F396-I404 HydrophobicContact CE1-CG2 3.69Å; F396-I404 HydrophobicContact CE2-CG1 4.27Å; F396-I404 HydrophobicContact CE2-CG2 3.91Å; F396-I404 HydrophobicContact CG-CD1 4.29Å; F396-I404 HydrophobicContact CG-CG1 3.6Å; F396-I404 HydrophobicContact CZ-CG1 4.38Å; F396-I404 HydrophobicContact CZ-CG2 3.57Å; F396-V437 HydrophobicContact CD1-CG1 4.13Å; F396-V437 HydrophobicContact CE1-CG1 4.19Å; F396-L439 HydrophobicContact CE1-CB 4.41Å; F396-L439 HydrophobicContact CZ-CB 4.11Å; F396-L439 HydrophobicContact CZ-CD1 4.14Å; F396-L439 HydrophobicContact CZ-CD2 4.03Å; F396-L439 HydrophobicContact CZ-CG 4.29Å; F396-I476 HydrophobicContact CD1-CD1 3.51Å; F396-I476 HydrophobicContact CE1-CD1 3.43Å; F396-I476 VanDerWaalsContact CE1-CD1 3.43Å; F396-I476 HydrophobicContact CZ-CD1 4.39Å; F396-A502 WeakPolarHBondContact CE2-O 3.13Å
397	K	91.6	Very high	95.7	Very high	125 Å²	125	48 Å²	48	54%	0.543	23%	0.229	S	C	.	.	H	α-helix	trans	-64	-46.4	174.5	-172.6	176.2	-175.5	170.1	0	112.1	E200 K393 Q394 K395 M399 Q400	E200-K397 IonicContact OE1-NZ 3.5Å; K393-K397 PolarHBondContact O-N 2.86Å; K393-K397 VanDerWaalsContact O-N 3.08Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 3.06Å; Q394-K397 VanDerWaalsContact O-N 3.13Å; K395-K397 VanDerWaalsContact C-N 3.28Å; K395-K397 PolarHBondContact O-N 3.42Å; K397-M399 PolarHBondContact O-N 3.31Å; K397-Q400 WeakPolarHBondContact O-CA 3.39Å; K397-Q400 PolarHBondContact O-N 2.91Å
398	D	95.3	Very high	95.7	Very high	108 Å²	108	48.3 Å²	48.3	58%	0.578	23%	0.23	S	C	*	.	H	α-helix	trans	-61.5	-35.8	178.3	-62.8	-19	0	0	0	111.6	Q394 K395 Q400	Q394-D398 PolarHBondContact NE2-OD1 3.12Å; Q394-D398 PolarHBondContact O-N 3.05Å; K395-D398 PolarHBondContact O-N 3.21Å; D398-Q400 PolarHBondContact O-N 3.3Å
399	M	95.8	Very high	95.5	Very high	55 Å²	55	48.5 Å²	48.5	27%	0.271	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.2	173.9	-69.8	-175.7	73.8	0	0	113.4	K395 F396 K397 A401 N435 V437 S473 I476	K395-M399 WeakPolarHBondContact O-CB 3.38Å; K395-M399 VanDerWaalsContact O-CG 3.29Å; K395-M399 WeakPolarHBondContact O-CG 3.33Å; K395-M399 PolarHBondContact O-N 2.87Å; F396-M399 PolarHBondContact O-N 3.01Å; K397-M399 PolarHBondContact O-N 3.31Å; M399-A401 PolarHBondContact O-N 2.72Å; M399-N435 PolarHBondContact O-ND2 3Å; M399-V437 HydrophobicContact CB-CG2 4.41Å; M399-V437 HydrophobicContact CE-CG1 4.03Å; M399-V437 HydrophobicContact CE-CG2 3.94Å; M399-V437 HydrophobicContact SD-CG1 4.07Å; M399-V437 HydrophobicContact SD-CG2 4.48Å; M399-S473 WeakPolarHBondContact CE-O 3.44Å; M399-I476 HydrophobicContact SD-CD1 3.48Å; M399-I476 WeakPolarHBondContact SD-CD1 3.33Å; M399-I476 HydrophobicContact SD-CG1 3.57Å; M399-I476 VanDerWaalsContact SD-CG1 3.57Å
400	Q	93.9	Very high	95.4	Very high	161 Å²	161	50.6 Å²	50.6	75%	0.752	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	38.2	-174	-56.1	-179.4	-24.1	0	0	112.4	F396 K397 D398 D402 N435	F396-Q400 PolarHBondContact O-N 3.05Å; K397-Q400 WeakPolarHBondContact O-CA 3.39Å; K397-Q400 PolarHBondContact O-N 2.91Å; D398-Q400 PolarHBondContact O-N 3.3Å; Q400-D402 PolarHBondContact O-N 3.47Å; Q400-N435 VanDerWaalsContact C-ND2 3.27Å; Q400-N435 PolarHBondContact O-ND2 2.95Å
401	A	93.6	Very high	95.2	Very high	23 Å²	23	48.9 Å²	48.9	19%	0.19	23%	0.234	C	C	.	.			trans	-66.8	131.9	179.8	0	0	0	0	0	110.4	F396 M399 I404 N435 V437	F396-A401 HydrophobicContact CB-CB 4.19Å; F396-A401 WeakPolarHBondContact O-CB 3.45Å; F396-A401 PolarHBondContact O-N 2.69Å; M399-A401 PolarHBondContact O-N 2.72Å; A401-I404 HydrophobicContact CB-CD1 4.1Å; A401-I404 HydrophobicContact CB-CG1 4.24Å; A401-N435 WeakPolarHBondContact CA-O 3.43Å; A401-V437 HydrophobicContact CB-CB 3.98Å; A401-V437 HydrophobicContact CB-CG2 3.56Å
402	D	85.7	Confident	95	Very high	56 Å²	56	46.2 Å²	46.2	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	-107.9	-7.3	174.1	66	-8.9	0	0	0	113.2	Q400 Y433 K434 N435	Q400-D402 PolarHBondContact O-N 3.47Å; D402-Y433 WeakPolarHBondContact O-CD1 3.41Å; D402-Y433 WeakPolarHBondContact O-CE1 3.45Å; D402-K434 PolarHBondContact OD1-N 2.87Å; D402-K434 PolarHBondContact OD2-N 3.04Å; D402-N435 PolarHBondContact N-O 3.37Å; D402-N435 WeakPolarHBondContact OD1-CA 3.37Å; D402-N435 PolarHBondContact OD1-N 3.29Å; D402-N435 PolarHBondContact OD2-N 2.66Å
403	A	91.9	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	132	166.9	0	0	0	0	0	110.4	L428 Y433 P436 V437 F506	A403-L428 HydrophobicContact CB-CD1 4.22Å; A403-Y433 HydrophobicContact CB-CD1 3.55Å; A403-Y433 HydrophobicContact CB-CD2 4.23Å; A403-Y433 HydrophobicContact CB-CE1 3.9Å; A403-Y433 HydrophobicContact CB-CG 3.73Å; A403-P436 HydrophobicContact CB-CB 4.23Å; A403-P436 CarbonylContact O-C 3.47Å; A403-P436 VanDerWaalsContact O-CA 3.29Å; A403-P436 WeakPolarHBondContact O-CA 3.21Å; A403-V437 PolarHBondContact O-N 2.99Å; A403-F506 HydrophobicContact CB-CD2 4.31Å; A403-F506 HydrophobicContact CB-CE2 3.78Å
404	I	97.9	Very high	94.6	Very high	14 Å²	14	44.5 Å²	44.5	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.2	175.5	-60.6	82.8	0	0	0	108.5	F396 A401 V437 L439 A504 N505 F506	F396-I404 HydrophobicContact CB-CD1 4.25Å; F396-I404 HydrophobicContact CB-CG1 4.05Å; F396-I404 HydrophobicContact CD1-CG1 3.68Å; F396-I404 HydrophobicContact CD1-CG2 4.19Å; F396-I404 HydrophobicContact CD2-CG1 3.87Å; F396-I404 HydrophobicContact CD2-CG2 4.36Å; F396-I404 HydrophobicContact CE1-CG1 4.07Å; F396-I404 HydrophobicContact CE1-CG2 3.69Å; F396-I404 HydrophobicContact CE2-CG1 4.27Å; F396-I404 HydrophobicContact CE2-CG2 3.91Å; F396-I404 HydrophobicContact CG-CD1 4.29Å; F396-I404 HydrophobicContact CG-CG1 3.6Å; F396-I404 HydrophobicContact CZ-CG1 4.38Å; F396-I404 HydrophobicContact CZ-CG2 3.57Å; A401-I404 HydrophobicContact CB-CD1 4.1Å; A401-I404 HydrophobicContact CB-CG1 4.24Å; I404-V437 WeakPolarHBondContact CA-O 3.49Å; I404-L439 HydrophobicContact CG2-CB 4.39Å; I404-A504 HydrophobicContact CG2-CB 4.18Å; I404-N505 WeakPolarHBondContact CD1-OD1 3.4Å; I404-N505 PolarHBondContact N-OD1 3.33Å; I404-N505 PolarHBondContact O-N 3.21Å; I404-F506 PolarHBondContact O-N 2.88Å
405	F	97.9	Very high	94.5	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.013	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.5	175.1	63.8	-79.9	0	0	0	110.9	M421 T424 K425 L428 P436 V437 L438 L439 F506 I508	F405-M421 HydrophobicContact CE2-CB 4.48Å; F405-M421 WeakPolarHBondContact CE2-O 3.43Å; F405-T424 HydrophobicContact CB-CG2 4.06Å; F405-T424 HydrophobicContact CD2-CG2 3.83Å; F405-T424 HydrophobicContact CE2-CG2 4.44Å; F405-T424 HydrophobicContact CG-CG2 4Å; F405-K425 HydrophobicContact CE1-CB 4.21Å; F405-K425 HydrophobicContact CE1-CG 4.37Å; F405-K425 HydrophobicContact CZ-CB 3.78Å; F405-K425 HydrophobicContact CZ-CG 4.27Å; F405-L428 HydrophobicContact CB-CD1 4.13Å; F405-L428 HydrophobicContact CD1-CD1 3.66Å; F405-L428 HydrophobicContact CE1-CD1 4.36Å; F405-L428 HydrophobicContact CG-CD1 4.1Å; F405-P436 HydrophobicContact CD1-CB 4.34Å; F405-P436 HydrophobicContact CE1-CB 4.05Å; F405-V437 VanDerWaalsContact CD1-O 3.25Å; F405-V437 WeakPolarHBondContact CD1-O 3.39Å; F405-V437 VanDerWaalsContact CE1-C 3.43Å; F405-V437 PolarHBondContact N-O 3.44Å; F405-L438 HydrophobicContact CD2-CB 4.41Å; F405-L438 HydrophobicContact CD2-CD1 3.75Å; F405-L438 HydrophobicContact CE1-CB 4.09Å; F405-L438 HydrophobicContact CE2-CB 3.69Å; F405-L438 HydrophobicContact CE2-CD1 3.5Å; F405-L438 HydrophobicContact CE2-CG 4.07Å; F405-L438 HydrophobicContact CZ-CB 3.5Å; F405-L438 VanDerWaalsContact CZ-CB 3.5Å; F405-L438 HydrophobicContact CZ-CD1 4.26Å; F405-L438 HydrophobicContact CZ-CG 4.36Å; F405-L438 WeakPolarHBondContact O-CA 3.31Å; F405-L439 PolarHBondContact O-N 3.31Å; F405-F506 CarbonylContact C-O 3.51Å; F405-F506 VanDerWaalsContact CA-O 3.32Å; F405-F506 WeakPolarHBondContact CA-O 3.44Å; F405-F506 HydrophobicContact CB-CB 3.73Å; F405-F506 HydrophobicContact CB-CD2 4.48Å; F405-F506 HydrophobicContact CB-CG 4.5Å; F405-I508 HydrophobicContact CD2-CD1 3.9Å; F405-I508 HydrophobicContact CE2-CD1 4.5Å
406	A	98.3	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.4	-173.9	0	0	0	0	0	112.5	L439 R499 A504 F506 Y507 I508	A406-L439 HydrophobicContact CB-CB 4.33Å; A406-L439 HydrophobicContact CB-CD2 4.33Å; A406-R499 HydrophobicContact CB-CB 3.89Å; A406-R499 HydrophobicContact CB-CG 3.82Å; A406-A504 HydrophobicContact CB-CB 3.87Å; A406-F506 PolarHBondContact N-O 3.17Å; A406-Y507 HydrophobicContact CB-CD2 4.27Å; A406-I508 PolarHBondContact O-N 3.33Å
407	F	97.9	Very high	93.9	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.053	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	106	171.2	-167.2	-100.8	0	0	0	109.8	L409 H417 M421 L438 L439 L440 H441 I508	F407-L409 HydrophobicContact CD1-CB 4.24Å; F407-L409 HydrophobicContact CD1-CD1 4.47Å; F407-L409 HydrophobicContact CD1-CD2 4.11Å; F407-L409 HydrophobicContact CE1-CB 4.02Å; F407-L409 HydrophobicContact CE1-CD1 4.45Å; F407-L409 VanDerWaalsContact O-CD2 3.29Å; F407-L409 WeakPolarHBondContact O-CD2 3.41Å; F407-H417 HydrophobicContact CE1-CB 3.99Å; F407-H417 HydrophobicContact CZ-CB 3.81Å; F407-H417 AromaticContact CZ-CD2 3.7Å; F407-H417 AromaticContact CZ-CG 3.77Å; F407-M421 HydrophobicContact CB-CG 4.12Å; F407-M421 HydrophobicContact CB-SD 3.75Å; F407-M421 HydrophobicContact CD1-CE 4.2Å; F407-M421 HydrophobicContact CD1-SD 3.77Å; F407-M421 HydrophobicContact CD2-CG 4Å; F407-M421 HydrophobicContact CD2-SD 4.29Å; F407-M421 HydrophobicContact CE1-CE 4.4Å; F407-M421 HydrophobicContact CE1-SD 4.5Å; F407-M421 HydrophobicContact CG-CG 3.96Å; F407-M421 HydrophobicContact CG-SD 3.67Å; F407-L438 HydrophobicContact CB-CD1 4.09Å; F407-L439 PolarHBondContact N-O 2.9Å; F407-L440 HydrophobicContact CD1-CD1 4.08Å; F407-H441 PolarHBondContact O-N 3.29Å; F407-I508 HydrophobicContact CD2-CB 3.9Å; F407-I508 HydrophobicContact CD2-CD1 4.12Å; F407-I508 HydrophobicContact CD2-CG2 3.76Å; F407-I508 HydrophobicContact CE2-CG2 3.93Å
408	Q	97.6	Very high	94	Very high	25 Å²	25	32.3 Å²	32.3	12%	0.117	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.6	172.2	162	58.9	-10.2	0	0	110	H441 H495 Y507	Q408-H441 PolarHBondContact OE1-O 3.48Å; Q408-H441 VanDerWaalsContact OE1-O 3.06Å; Q408-H495 HydrophobicContact CG-CB 4.13Å; Q408-H495 PolarHBondContact NE2-CE1 3.47Å; Q408-H495 PolarHBondContact NE2-NE2 3.41Å; Q408-H495 VanDerWaalsContact NE2-NE2 3.17Å; Q408-Y507 HydrophobicContact CB-CE2 4.23Å; Q408-Y507 WeakPolarHBondContact CB-OH 3.4Å
409	L	95.6	Very high	93.8	Very high	9 Å²	9	28.7 Å²	28.7	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	147.9	177.2	66.5	171.3	0	0	0	112.6	F407 V413 L440 H441 P442 L443	F407-L409 HydrophobicContact CD1-CB 4.24Å; F407-L409 HydrophobicContact CD1-CD1 4.47Å; F407-L409 HydrophobicContact CD1-CD2 4.11Å; F407-L409 HydrophobicContact CE1-CB 4.02Å; F407-L409 HydrophobicContact CE1-CD1 4.45Å; F407-L409 VanDerWaalsContact O-CD2 3.29Å; F407-L409 WeakPolarHBondContact O-CD2 3.41Å; L409-V413 HydrophobicContact CD1-CG2 3.33Å; L409-L440 HydrophobicContact CD1-CD1 3.91Å; L409-L440 HydrophobicContact CD2-CD1 3.7Å; L409-L440 HydrophobicContact CD2-CG 4.31Å; L409-H441 VanDerWaalsContact CD2-C 3.49Å; L409-P442 HydrophobicContact CD2-CB 4.21Å; L409-P442 VanDerWaalsContact CD2-N 3.33Å; L409-P442 HydrophobicContact CG-CB 4.25Å; L409-P442 CarbonylContact O-C 3.54Å; L409-P442 VanDerWaalsContact O-CA 3.28Å; L409-P442 WeakPolarHBondContact O-CA 3.19Å; L409-L443 PolarHBondContact O-N 3.28Å
410	R	94.6	Very high	93.6	Very high	43 Å²	43	26.4 Å²	26.4	16%	0.162	13%	0.132	C	C	.	.	S	Bend	trans	-119.9	-6.4	167.8	73.4	178.6	-169	-93.5	7.9	112.8	D451 R457 G515	R410-D451 IonicContact NE-OD2 2.76Å; R410-R457 WeakPolarHBondContact O-CD 3.38Å; R410-R457 PolarHBondContact O-NE 3.47Å; R410-G515 PolarHBondContact NH2-O 3.36Å
411	N	91.8	Very high	93.7	Very high	57 Å²	57	18.8 Å²	18.8	31%	0.305	10%	0.097	S	C	.	.	S	Bend	trans	-112.6	161	-174.1	-68.5	-42.7	0	0	0	110.4
412	P	93.4	Very high	93.7	Very high	7 Å²	7	22 Å²	22	5%	0.045	11%	0.108	C	C	.	.			trans	-52.8	148	167.3	-26.2	35.7	0	0	0	113.1	V452 Q460 L603	P412-V452 HydrophobicContact CG-CB 4.31Å; P412-V452 HydrophobicContact CG-CG2 3.91Å; P412-Q460 HydrophobicContact CB-CG 4.24Å; P412-L603 HydrophobicContact CB-CD1 3.9Å; P412-L603 HydrophobicContact CB-CD2 3.96Å; P412-L603 HydrophobicContact CB-CG 4.46Å; P412-L603 HydrophobicContact CG-CD1 4.07Å; P412-L603 HydrophobicContact CG-CD2 3.61Å; P412-L603 HydrophobicContact CG-CG 4.49Å
413	V	93.3	Very high	94.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.			trans	-85.7	115.9	178.8	173.4	0	0	0	0	109.8	L409 H417 M421 L440 Q460 V464	L409-V413 HydrophobicContact CD1-CG2 3.33Å; V413-H417 HydrophobicContact CG1-CB 4.21Å; V413-M421 HydrophobicContact CG1-CE 4.08Å; V413-L440 HydrophobicContact CG2-CD1 4.31Å; V413-Q460 PolarHBondContact O-NE2 3.25Å; V413-V464 HydrophobicContact CB-CG2 4.27Å; V413-V464 HydrophobicContact CG1-CG1 4.14Å; V413-V464 HydrophobicContact CG1-CG2 4.38Å
414	H	91.9	Very high	94.3	Very high	40 Å²	40	20.1 Å²	20.1	19%	0.185	10%	0.098	C	C	.	.			trans	-101.8	170.7	165.7	62.7	90.4	0	0	0	110.4	G416 H417 A418 F594 M595	H414-G416 PolarHBondContact ND1-N 3.4Å; H414-G416 VanDerWaalsContact ND1-N 3.19Å; H414-G416 PolarHBondContact O-N 2.72Å; H414-H417 AromaticContact CD2-CE1 3.54Å; H414-H417 AromaticContact CD2-ND1 3.61Å; H414-H417 AromaticContact NE2-CD2 3.8Å; H414-H417 AromaticContact NE2-CE1 3.31Å; H414-H417 PolarHBondContact NE2-CE1 3.32Å; H414-H417 VanDerWaalsContact NE2-CE1 3.31Å; H414-H417 AromaticContact NE2-CG 3.94Å; H414-H417 AromaticContact NE2-ND1 3.66Å; H414-H417 AromaticContact NE2-NE2 3.42Å; H414-H417 PolarHBondContact NE2-NE2 3.3Å; H414-H417 WeakPolarHBondContact O-CB 3.4Å; H414-H417 PolarHBondContact O-N 2.98Å; H414-A418 PolarHBondContact O-N 3.21Å; H414-F594 HydrophobicContact CB-CE1 4.07Å; H414-F594 HydrophobicContact CB-CZ 4.06Å; H414-M595 HydrophobicContact CB-CB 4.38Å; H414-M595 HydrophobicContact CB-CG 4.45Å; H414-M595 HydrophobicContact CB-SD 4.22Å
415	N	92.3	Very high	94.2	Very high	29 Å²	29	21.9 Å²	21.9	16%	0.155	11%	0.105	C	C	.	.	H	α-helix	trans	-68.2	-12.3	-172	-68.2	-5.7	0	0	0	113.5	L419 M561 G593 F594	N415-L419 VanDerWaalsContact O-CB 3.3Å; N415-L419 WeakPolarHBondContact O-CB 3.44Å; N415-L419 PolarHBondContact O-N 3.37Å; N415-M561 HydrophobicContact CB-CB 4.16Å; N415-M561 HydrophobicContact CB-CG 3.61Å; N415-G593 WeakPolarHBondContact CB-O 3.32Å; N415-G593 PolarHBondContact ND2-O 3.49Å; N415-F594 VanDerWaalsContact CB-O 3.27Å; N415-F594 WeakPolarHBondContact CB-O 3.32Å; N415-F594 PolarHBondContact N-O 3.22Å
416	G	90.3	Very high	94.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-44.4	170.4	0	0	0	0	0	111.5	H414 L420	H414-G416 PolarHBondContact ND1-N 3.4Å; H414-G416 VanDerWaalsContact ND1-N 3.19Å; H414-G416 PolarHBondContact O-N 2.72Å; G416-L420 VanDerWaalsContact O-CD1 3.29Å; G416-L420 WeakPolarHBondContact O-CD1 3.25Å; G416-L420 PolarHBondContact O-N 2.96Å
417	H	91.8	Very high	93.9	Very high	34 Å²	34	32.5 Å²	32.5	16%	0.157	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-44.2	171.1	-61.4	151.8	0	0	0	110.7	F407 V413 H414 L419 L420 M421	F407-H417 HydrophobicContact CE1-CB 3.99Å; F407-H417 HydrophobicContact CZ-CB 3.81Å; F407-H417 AromaticContact CZ-CD2 3.7Å; F407-H417 AromaticContact CZ-CG 3.77Å; V413-H417 HydrophobicContact CG1-CB 4.21Å; H414-H417 AromaticContact CD2-CE1 3.54Å; H414-H417 AromaticContact CD2-ND1 3.61Å; H414-H417 AromaticContact NE2-CD2 3.8Å; H414-H417 AromaticContact NE2-CE1 3.31Å; H414-H417 PolarHBondContact NE2-CE1 3.32Å; H414-H417 VanDerWaalsContact NE2-CE1 3.31Å; H414-H417 AromaticContact NE2-CG 3.94Å; H414-H417 AromaticContact NE2-ND1 3.66Å; H414-H417 AromaticContact NE2-NE2 3.42Å; H414-H417 PolarHBondContact NE2-NE2 3.3Å; H414-H417 WeakPolarHBondContact O-CB 3.4Å; H414-H417 PolarHBondContact O-N 2.98Å; H417-L419 PolarHBondContact O-N 2.95Å; H417-L420 PolarHBondContact O-N 3.39Å; H417-M421 HydrophobicContact CB-CE 4.06Å; H417-M421 WeakPolarHBondContact O-CE 3.49Å; H417-M421 PolarHBondContact O-N 2.91Å; H417-M421 VanDerWaalsContact O-N 3.15Å
418	A	93.3	Very high	93.7	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-59.3	-44.5	178.6	0	0	0	0	0	112.5	H414 L420 M421 Q422 V469 L470	H414-A418 PolarHBondContact O-N 3.21Å; A418-L420 PolarHBondContact O-N 2.64Å; A418-M421 PolarHBondContact O-N 3.03Å; A418-M421 VanDerWaalsContact O-N 3.14Å; A418-Q422 WeakPolarHBondContact O-CB 3.5Å; A418-Q422 VanDerWaalsContact O-CG 3.24Å; A418-Q422 WeakPolarHBondContact O-CG 3.29Å; A418-Q422 PolarHBondContact O-N 3.4Å; A418-V469 HydrophobicContact CB-CG1 3.49Å; A418-V469 VanDerWaalsContact CB-CG1 3.49Å; A418-L470 HydrophobicContact CB-CD2 4.3Å
419	L	92.1	Very high	93.6	Very high	33 Å²	33	34.7 Å²	34.7	17%	0.173	16%	0.157	C	C	.	.	H	α-helix	trans	-54.5	-40.5	177.5	178.5	64.3	0	0	0	111.8	N415 H417 D423 A552 F563	N415-L419 VanDerWaalsContact O-CB 3.3Å; N415-L419 WeakPolarHBondContact O-CB 3.44Å; N415-L419 PolarHBondContact O-N 3.37Å; H417-L419 PolarHBondContact O-N 2.95Å; L419-D423 WeakPolarHBondContact O-CB 3.44Å; L419-D423 PolarHBondContact O-N 3.06Å; L419-A552 HydrophobicContact CD2-CB 4.2Å; L419-F563 HydrophobicContact CD1-CE2 4.49Å; L419-F563 HydrophobicContact CD2-CD1 4.14Å; L419-F563 HydrophobicContact CD2-CD2 4.4Å; L419-F563 HydrophobicContact CD2-CE1 4.03Å; L419-F563 HydrophobicContact CD2-CE2 4.32Å; L419-F563 HydrophobicContact CD2-CG 4.33Å; L419-F563 HydrophobicContact CD2-CZ 4.13Å; L419-F563 HydrophobicContact CG-CE1 4.18Å; L419-F563 HydrophobicContact CG-CE2 4.26Å; L419-F563 HydrophobicContact CG-CZ 3.92Å
420	L	90.9	Very high	93.6	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-72.1	-40.6	179.8	-68	150.1	0	0	0	112.8	G416 H417 A418 Q422 D423 T424 F549 F563	G416-L420 VanDerWaalsContact O-CD1 3.29Å; G416-L420 WeakPolarHBondContact O-CD1 3.25Å; G416-L420 PolarHBondContact O-N 2.96Å; H417-L420 PolarHBondContact O-N 3.39Å; A418-L420 PolarHBondContact O-N 2.64Å; L420-Q422 VanDerWaalsContact C-N 3.33Å; L420-D423 PolarHBondContact O-N 3.43Å; L420-T424 WeakPolarHBondContact O-CB 3.47Å; L420-T424 PolarHBondContact O-N 2.76Å; L420-T424 PolarHBondContact O-OG1 3.12Å; L420-F549 HydrophobicContact CD1-CD2 3.31Å; L420-F549 HydrophobicContact CD1-CE1 4.19Å; L420-F549 HydrophobicContact CD1-CE2 2.87Å; L420-F549 HydrophobicContact CD1-CG 4.22Å; L420-F549 HydrophobicContact CD1-CZ 3.35Å; L420-F549 HydrophobicContact CD2-CD2 3.95Å; L420-F549 HydrophobicContact CD2-CE2 4.32Å; L420-F549 HydrophobicContact CD2-CG 4.27Å; L420-F549 HydrophobicContact CG-CD2 4.26Å; L420-F549 HydrophobicContact CG-CE2 4.18Å; L420-F563 HydrophobicContact CD2-CE1 3.71Å; L420-F563 HydrophobicContact CD2-CZ 4.39Å; L420-F563 HydrophobicContact CG-CE1 4.27Å
421	M	95.4	Very high	93.4	Very high	2 Å²	2	44 Å²	44	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-43.1	176.3	-68.4	-176.6	-81.1	0	0	110.4	F405 F407 V413 H417 A418 T424 K425 L438 L440 L470 I508	F405-M421 HydrophobicContact CE2-CB 4.48Å; F405-M421 WeakPolarHBondContact CE2-O 3.43Å; F407-M421 HydrophobicContact CB-CG 4.12Å; F407-M421 HydrophobicContact CB-SD 3.75Å; F407-M421 HydrophobicContact CD1-CE 4.2Å; F407-M421 HydrophobicContact CD1-SD 3.77Å; F407-M421 HydrophobicContact CD2-CG 4Å; F407-M421 HydrophobicContact CD2-SD 4.29Å; F407-M421 HydrophobicContact CE1-CE 4.4Å; F407-M421 HydrophobicContact CE1-SD 4.5Å; F407-M421 HydrophobicContact CG-CG 3.96Å; F407-M421 HydrophobicContact CG-SD 3.67Å; V413-M421 HydrophobicContact CG1-CE 4.08Å; H417-M421 HydrophobicContact CB-CE 4.06Å; H417-M421 WeakPolarHBondContact O-CE 3.49Å; H417-M421 PolarHBondContact O-N 2.91Å; H417-M421 VanDerWaalsContact O-N 3.15Å; A418-M421 PolarHBondContact O-N 3.03Å; A418-M421 VanDerWaalsContact O-N 3.14Å; M421-T424 PolarHBondContact O-N 3.28Å; M421-K425 PolarHBondContact O-N 3.4Å; M421-L438 HydrophobicContact CB-CD1 4.45Å; M421-L438 HydrophobicContact CB-CD2 4.14Å; M421-L438 HydrophobicContact CG-CD1 4.09Å; M421-L438 HydrophobicContact CG-CD2 4.28Å; M421-L438 HydrophobicContact SD-CD1 3.84Å; M421-L438 HydrophobicContact SD-CD2 3.59Å; M421-L438 VanDerWaalsContact SD-CD2 3.59Å; M421-L438 HydrophobicContact SD-CG 4.36Å; M421-L440 HydrophobicContact CE-CD1 4.27Å; M421-L440 HydrophobicContact SD-CD1 3.87Å; M421-L470 HydrophobicContact CB-CD2 4.06Å; M421-L470 HydrophobicContact CE-CD1 3.7Å; M421-L470 HydrophobicContact CE-CD2 4.09Å; M421-L470 HydrophobicContact CE-CG 4.46Å; M421-L470 HydrophobicContact SD-CD1 4.16Å; M421-L470 HydrophobicContact SD-CD2 4.44Å; M421-I508 HydrophobicContact CG-CD1 4.18Å
422	Q	94.7	Very high	93.2	Very high	91 Å²	91	43.1 Å²	43.1	43%	0.425	21%	0.205	S	C	.	.	H	α-helix	trans	-65.1	-44.7	175	-68.7	169.5	-6.2	0	0	112.3	A418 L420 T424 K425 R426 V469	A418-Q422 WeakPolarHBondContact O-CB 3.5Å; A418-Q422 VanDerWaalsContact O-CG 3.24Å; A418-Q422 WeakPolarHBondContact O-CG 3.29Å; A418-Q422 PolarHBondContact O-N 3.4Å; L420-Q422 VanDerWaalsContact C-N 3.33Å; Q422-T424 VanDerWaalsContact C-N 3.34Å; Q422-T424 PolarHBondContact O-N 3.32Å; Q422-K425 PolarHBondContact O-N 3.28Å; Q422-R426 WeakPolarHBondContact O-CB 3.45Å; Q422-R426 PolarHBondContact O-N 2.99Å; Q422-V469 PolarHBondContact NE2-O 3.09Å
423	D	93.6	Very high	93	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-40.1	177.8	-175.5	62.2	0	0	0	111.7	L419 L420 R426 R427 F563	L419-D423 WeakPolarHBondContact O-CB 3.44Å; L419-D423 PolarHBondContact O-N 3.06Å; L420-D423 PolarHBondContact O-N 3.43Å; D423-R426 PolarHBondContact O-N 3.49Å; D423-R426 IonicContact OD1-CZ 2.78Å; D423-R426 IonicContact OD1-NE 3.37Å; D423-R426 IonicContact OD1-NH2 3.51Å; D423-R426 PolarHBondContact OD1-NH2 3.2Å; D423-R427 WeakPolarHBondContact O-CG 3.33Å; D423-R427 PolarHBondContact O-N 3.16Å; D423-R427 IonicContact OD1-NE 3.93Å; D423-R427 IonicContact OD2-CZ 2.72Å; D423-R427 IonicContact OD2-NE 2.8Å; D423-R427 PolarHBondContact OD2-NE 2.98Å; D423-R427 IonicContact OD2-NH2 3.19Å; D423-R427 PolarHBondContact OD2-NH2 3.02Å; D423-F563 HydrophobicContact CB-CE2 4.13Å; D423-F563 HydrophobicContact CB-CZ 3.75Å
424	T	95.1	Very high	93	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-49.4	174.9	-57.4	0	0	0	0	110.5	F405 L420 M421 Q422 R426 R427 L428 I508 I547	F405-T424 HydrophobicContact CB-CG2 4.06Å; F405-T424 HydrophobicContact CD2-CG2 3.83Å; F405-T424 HydrophobicContact CE2-CG2 4.44Å; F405-T424 HydrophobicContact CG-CG2 4Å; L420-T424 WeakPolarHBondContact O-CB 3.47Å; L420-T424 PolarHBondContact O-N 2.76Å; L420-T424 PolarHBondContact O-OG1 3.12Å; M421-T424 PolarHBondContact O-N 3.28Å; Q422-T424 VanDerWaalsContact C-N 3.34Å; Q422-T424 PolarHBondContact O-N 3.32Å; T424-R426 VanDerWaalsContact C-N 3.31Å; T424-R426 PolarHBondContact O-N 3.22Å; T424-R427 PolarHBondContact O-N 2.75Å; T424-L428 HydrophobicContact CG2-CD1 4.2Å; T424-L428 WeakPolarHBondContact O-CG 3.4Å; T424-L428 PolarHBondContact O-N 3.38Å; T424-I508 HydrophobicContact CG2-CD1 4.1Å; T424-I508 HydrophobicContact CG2-CG1 4.19Å; T424-I508 WeakPolarHBondContact OG1-CD1 3.42Å; T424-I547 HydrophobicContact CG2-CG1 4.38Å; T424-I547 HydrophobicContact CG2-CG2 4.47Å
425	K	96.3	Very high	93.2	Very high	52 Å²	52	54.7 Å²	54.7	23%	0.226	26%	0.255	C	S	.	.	H	α-helix	trans	-54.1	-48.5	175.3	-170	179.8	177.7	179.8	0	111.5	F405 M421 Q422 R427 L428 L429 P436 D471 S474	F405-K425 HydrophobicContact CE1-CB 4.21Å; F405-K425 HydrophobicContact CE1-CG 4.37Å; F405-K425 HydrophobicContact CZ-CB 3.78Å; F405-K425 HydrophobicContact CZ-CG 4.27Å; M421-K425 PolarHBondContact O-N 3.4Å; Q422-K425 PolarHBondContact O-N 3.28Å; K425-R427 PolarHBondContact O-N 3.28Å; K425-L428 PolarHBondContact O-N 3.45Å; K425-L429 HydrophobicContact CG-CD1 4.49Å; K425-L429 WeakPolarHBondContact O-CG 3.26Å; K425-L429 PolarHBondContact O-N 3.1Å; K425-P436 HydrophobicContact CG-CB 4.35Å; K425-P436 HydrophobicContact CG-CG 3.76Å; K425-D471 IonicContact NZ-OD2 3.55Å; K425-D471 PolarHBondContact NZ-OD2 3.32Å; K425-S474 PolarHBondContact NZ-OG 3.41Å
426	R	96.1	Very high	93.4	Very high	134 Å²	134	53.4 Å²	53.4	51%	0.506	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-48	178.4	-176.7	179.7	65.6	99.7	-3.1	112.1	Q422 D423 T424 L428 L429 D430	Q422-R426 WeakPolarHBondContact O-CB 3.45Å; Q422-R426 PolarHBondContact O-N 2.99Å; D423-R426 PolarHBondContact O-N 3.49Å; D423-R426 IonicContact OD1-CZ 2.78Å; D423-R426 IonicContact OD1-NE 3.37Å; D423-R426 IonicContact OD1-NH2 3.51Å; D423-R426 PolarHBondContact OD1-NH2 3.2Å; T424-R426 VanDerWaalsContact C-N 3.31Å; T424-R426 PolarHBondContact O-N 3.22Å; R426-L428 VanDerWaalsContact C-N 3.29Å; R426-L428 PolarHBondContact O-N 2.86Å; R426-L429 WeakPolarHBondContact O-CB 3.41Å; R426-L429 PolarHBondContact O-N 3.36Å; R426-D430 VanDerWaalsContact O-CG 3.28Å; R426-D430 PolarHBondContact O-N 3.42Å
427	R	94.6	Very high	93.8	Very high	92 Å²	92	53.4 Å²	53.4	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-34.6	177.9	-69	179.1	-165.3	-166.2	9.9	112.9	D423 T424 K425 D430 R431	D423-R427 WeakPolarHBondContact O-CG 3.33Å; D423-R427 PolarHBondContact O-N 3.16Å; D423-R427 IonicContact OD1-NE 3.93Å; D423-R427 IonicContact OD2-CZ 2.72Å; D423-R427 IonicContact OD2-NE 2.8Å; D423-R427 PolarHBondContact OD2-NE 2.98Å; D423-R427 IonicContact OD2-NH2 3.19Å; D423-R427 PolarHBondContact OD2-NH2 3.02Å; T424-R427 PolarHBondContact O-N 2.75Å; K425-R427 PolarHBondContact O-N 3.28Å; R427-D430 PolarHBondContact O-N 3.32Å; R427-R431 VanDerWaalsContact O-CG 3.28Å; R427-R431 WeakPolarHBondContact O-CG 3.48Å; R427-R431 PolarHBondContact O-N 3.26Å
428	L	93.6	Very high	94.2	Very high	3 Å²	3	52 Å²	52	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-42	174.9	-66.7	174.5	0	0	0	111.1	A403 F405 T424 K425 R426 D430 R431 G432 Y433 P436 F506	A403-L428 HydrophobicContact CB-CD1 4.22Å; F405-L428 HydrophobicContact CB-CD1 4.13Å; F405-L428 HydrophobicContact CD1-CD1 3.66Å; F405-L428 HydrophobicContact CE1-CD1 4.36Å; F405-L428 HydrophobicContact CG-CD1 4.1Å; T424-L428 HydrophobicContact CG2-CD1 4.2Å; T424-L428 WeakPolarHBondContact O-CG 3.4Å; T424-L428 PolarHBondContact O-N 3.38Å; K425-L428 PolarHBondContact O-N 3.45Å; R426-L428 VanDerWaalsContact C-N 3.29Å; R426-L428 PolarHBondContact O-N 2.86Å; L428-D430 VanDerWaalsContact C-N 3.32Å; L428-D430 PolarHBondContact O-N 3.47Å; L428-R431 WeakPolarHBondContact O-CB 3.49Å; L428-R431 PolarHBondContact O-N 2.95Å; L428-R431 VanDerWaalsContact O-N 3.14Å; L428-G432 PolarHBondContact O-N 3.3Å; L428-Y433 HydrophobicContact CB-CD2 3.99Å; L428-Y433 HydrophobicContact CD2-CD2 3.9Å; L428-Y433 HydrophobicContact CD2-CE2 3.91Å; L428-Y433 WeakPolarHBondContact O-CB 3.3Å; L428-Y433 VanDerWaalsContact O-CD2 3.31Å; L428-Y433 WeakPolarHBondContact O-CD2 3.34Å; L428-Y433 PolarHBondContact O-N 2.97Å; L428-P436 HydrophobicContact CB-CB 4.03Å; L428-P436 HydrophobicContact CB-CG 4.41Å; L428-P436 HydrophobicContact CD1-CB 3.97Å; L428-F506 HydrophobicContact CD1-CD2 3.93Å; L428-F506 HydrophobicContact CD1-CE2 4.23Å; L428-F506 HydrophobicContact CD1-CG 4.41Å; L428-F506 HydrophobicContact CD2-CD1 3.95Å; L428-F506 HydrophobicContact CD2-CD2 3.76Å; L428-F506 HydrophobicContact CD2-CE1 3.64Å; L428-F506 HydrophobicContact CD2-CE2 3.43Å; L428-F506 VanDerWaalsContact CD2-CE2 3.43Å; L428-F506 HydrophobicContact CD2-CG 4.03Å; L428-F506 HydrophobicContact CD2-CZ 3.37Å; L428-F506 HydrophobicContact CG-CE2 4.48Å
429	L	95.5	Very high	94.4	Very high	79 Å²	79	51.9 Å²	51.9	41%	0.414	24%	0.241	S	C	.	.	H	α-helix	trans	-59.7	-43.6	172.3	-65.5	170.1	0	0	0	111.5	K425 R426 R431 G432 Y433 P436	K425-L429 HydrophobicContact CG-CD1 4.49Å; K425-L429 WeakPolarHBondContact O-CG 3.26Å; K425-L429 PolarHBondContact O-N 3.1Å; R426-L429 WeakPolarHBondContact O-CB 3.41Å; R426-L429 PolarHBondContact O-N 3.36Å; L429-R431 PolarHBondContact O-N 2.97Å; L429-G432 WeakPolarHBondContact O-CA 3.42Å; L429-G432 PolarHBondContact O-N 3.18Å; L429-Y433 WeakPolarHBondContact CD2-O 3.29Å; L429-P436 HydrophobicContact CD2-CG 3.75Å; L429-P436 HydrophobicContact CG-CG 3.96Å
430	D	95.2	Very high	94.7	Very high	119 Å²	119	50.3 Å²	50.3	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-62.8	-30.7	176.5	-65.4	-22.4	0	0	0	112.2	R426 R427 L428 G432	R426-D430 VanDerWaalsContact O-CG 3.28Å; R426-D430 PolarHBondContact O-N 3.42Å; R427-D430 PolarHBondContact O-N 3.32Å; L428-D430 VanDerWaalsContact C-N 3.32Å; L428-D430 PolarHBondContact O-N 3.47Å; D430-G432 PolarHBondContact O-N 2.72Å
431	R	89.9	Confident	95.1	Very high	128 Å²	128	50 Å²	50	48%	0.483	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.5	173.1	-74.4	170.9	68.3	167.2	4.1	113.8	R427 L428 L429 Y433 E545	R427-R431 VanDerWaalsContact O-CG 3.28Å; R427-R431 WeakPolarHBondContact O-CG 3.48Å; R427-R431 PolarHBondContact O-N 3.26Å; L428-R431 WeakPolarHBondContact O-CB 3.49Å; L428-R431 PolarHBondContact O-N 2.95Å; L428-R431 VanDerWaalsContact O-N 3.14Å; L429-R431 PolarHBondContact O-N 2.97Å; R431-Y433 HydrophobicContact CB-CD2 4.08Å; R431-Y433 HydrophobicContact CB-CE2 4.19Å; R431-E545 IonicContact CZ-OE1 2.67Å; R431-E545 IonicContact CZ-OE2 2.84Å; R431-E545 VanDerWaalsContact CZ-OE2 3.3Å; R431-E545 IonicContact NH1-OE1 3.54Å; R431-E545 PolarHBondContact NH1-OE1 3.38Å; R431-E545 IonicContact NH1-OE2 3.5Å; R431-E545 PolarHBondContact NH1-OE2 2.97Å; R431-E545 IonicContact NH2-OE2 2.68Å; R431-E545 PolarHBondContact NH2-OE2 3.3Å
432	G	86.8	Confident	95.2	Very high	39 Å²	39	50 Å²	50	40%	0.402	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	-5.1	174.6	0	0	0	0	0	115.5	L428 L429 D430 K434	L428-G432 PolarHBondContact O-N 3.3Å; L429-G432 WeakPolarHBondContact O-CA 3.42Å; L429-G432 PolarHBondContact O-N 3.18Å; D430-G432 PolarHBondContact O-N 2.72Å; G432-K434 VanDerWaalsContact O-CE 3.25Å; G432-K434 WeakPolarHBondContact O-CE 3.36Å; G432-K434 PolarHBondContact O-NZ 3.14Å
433	Y	91.1	Very high	95.4	Very high	71 Å²	71	45.6 Å²	45.6	28%	0.278	21%	0.211	S	C	.	.			trans	-59.5	142.7	169.5	-62.9	-77.9	0	0	0	109.6	D402 A403 L428 L429 R431 F506	D402-Y433 WeakPolarHBondContact O-CD1 3.41Å; D402-Y433 WeakPolarHBondContact O-CE1 3.45Å; A403-Y433 HydrophobicContact CB-CD1 3.55Å; A403-Y433 HydrophobicContact CB-CD2 4.23Å; A403-Y433 HydrophobicContact CB-CE1 3.9Å; A403-Y433 HydrophobicContact CB-CG 3.73Å; L428-Y433 HydrophobicContact CB-CD2 3.99Å; L428-Y433 HydrophobicContact CD2-CD2 3.9Å; L428-Y433 HydrophobicContact CD2-CE2 3.91Å; L428-Y433 WeakPolarHBondContact O-CB 3.3Å; L428-Y433 VanDerWaalsContact O-CD2 3.31Å; L428-Y433 WeakPolarHBondContact O-CD2 3.34Å; L428-Y433 PolarHBondContact O-N 2.97Å; L429-Y433 WeakPolarHBondContact CD2-O 3.29Å; R431-Y433 HydrophobicContact CB-CD2 4.08Å; R431-Y433 HydrophobicContact CB-CE2 4.19Å; Y433-F506 HydrophobicContact CE2-CE2 4.22Å; Y433-F506 AromaticContact CE2-CZ 3.8Å; Y433-F506 HydrophobicContact CE2-CZ 3.8Å; Y433-F506 AromaticContact CZ-CZ 3.85Å
434	K	92.7	Very high	95.6	Very high	167 Å²	167	45.8 Å²	45.8	73%	0.726	22%	0.215	S	C	*	.	S	Bend	trans	-103.4	-32.4	-174.1	-56.7	-53.8	177.2	-163.7	0	112.1	D402 G432	D402-K434 PolarHBondContact OD1-N 2.87Å; D402-K434 PolarHBondContact OD2-N 3.04Å; G432-K434 VanDerWaalsContact O-CE 3.25Å; G432-K434 WeakPolarHBondContact O-CE 3.36Å; G432-K434 PolarHBondContact O-NZ 3.14Å
435	N	95.8	Very high	95.7	Very high	52 Å²	52	45.9 Å²	45.9	28%	0.278	22%	0.218	S	C	.	.			trans	-137.6	64.5	-175.4	-166.4	20.6	0	0	0	112.3	M399 Q400 A401 D402 V437	M399-N435 PolarHBondContact O-ND2 3Å; Q400-N435 VanDerWaalsContact C-ND2 3.27Å; Q400-N435 PolarHBondContact O-ND2 2.95Å; A401-N435 WeakPolarHBondContact CA-O 3.43Å; D402-N435 PolarHBondContact N-O 3.37Å; D402-N435 WeakPolarHBondContact OD1-CA 3.37Å; D402-N435 PolarHBondContact OD1-N 3.29Å; D402-N435 PolarHBondContact OD2-N 2.66Å; N435-V437 PolarHBondContact O-N 3.11Å
436	P	97.4	Very high	95.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	124.4	174	28	-33.8	0	0	0	111.1	A403 F405 K425 L428 L429	A403-P436 HydrophobicContact CB-CB 4.23Å; A403-P436 CarbonylContact O-C 3.47Å; A403-P436 VanDerWaalsContact O-CA 3.29Å; A403-P436 WeakPolarHBondContact O-CA 3.21Å; F405-P436 HydrophobicContact CD1-CB 4.34Å; F405-P436 HydrophobicContact CE1-CB 4.05Å; K425-P436 HydrophobicContact CG-CB 4.35Å; K425-P436 HydrophobicContact CG-CG 3.76Å; L428-P436 HydrophobicContact CB-CB 4.03Å; L428-P436 HydrophobicContact CB-CG 4.41Å; L428-P436 HydrophobicContact CD1-CB 3.97Å; L429-P436 HydrophobicContact CD2-CG 3.75Å; L429-P436 HydrophobicContact CG-CG 3.96Å
437	V	98.5	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	180	174.9	0	0	0	0	110.9	F396 M399 A401 A403 I404 F405 N435 S474 I476	F396-V437 HydrophobicContact CD1-CG1 4.13Å; F396-V437 HydrophobicContact CE1-CG1 4.19Å; M399-V437 HydrophobicContact CB-CG2 4.41Å; M399-V437 HydrophobicContact CE-CG1 4.03Å; M399-V437 HydrophobicContact CE-CG2 3.94Å; M399-V437 HydrophobicContact SD-CG1 4.07Å; M399-V437 HydrophobicContact SD-CG2 4.48Å; A401-V437 HydrophobicContact CB-CB 3.98Å; A401-V437 HydrophobicContact CB-CG2 3.56Å; A403-V437 PolarHBondContact O-N 2.99Å; I404-V437 WeakPolarHBondContact CA-O 3.49Å; F405-V437 VanDerWaalsContact CD1-O 3.25Å; F405-V437 WeakPolarHBondContact CD1-O 3.39Å; F405-V437 VanDerWaalsContact CE1-C 3.43Å; F405-V437 PolarHBondContact N-O 3.44Å; N435-V437 PolarHBondContact O-N 3.11Å; V437-S474 WeakPolarHBondContact CA-O 3.33Å; V437-I476 HydrophobicContact CG1-CD1 4.15Å; V437-I476 HydrophobicContact CG1-CG1 4.34Å
438	L	98.7	Very high	95.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.3	173.4	172	59.8	0	0	0	110.1	F405 F407 M421 L440 L470 S474 T475 I476	F405-L438 HydrophobicContact CD2-CB 4.41Å; F405-L438 HydrophobicContact CD2-CD1 3.75Å; F405-L438 HydrophobicContact CE1-CB 4.09Å; F405-L438 HydrophobicContact CE2-CB 3.69Å; F405-L438 HydrophobicContact CE2-CD1 3.5Å; F405-L438 HydrophobicContact CE2-CG 4.07Å; F405-L438 HydrophobicContact CZ-CB 3.5Å; F405-L438 VanDerWaalsContact CZ-CB 3.5Å; F405-L438 HydrophobicContact CZ-CD1 4.26Å; F405-L438 HydrophobicContact CZ-CG 4.36Å; F405-L438 WeakPolarHBondContact O-CA 3.31Å; F407-L438 HydrophobicContact CB-CD1 4.09Å; M421-L438 HydrophobicContact CB-CD1 4.45Å; M421-L438 HydrophobicContact CB-CD2 4.14Å; M421-L438 HydrophobicContact CG-CD1 4.09Å; M421-L438 HydrophobicContact CG-CD2 4.28Å; M421-L438 HydrophobicContact SD-CD1 3.84Å; M421-L438 HydrophobicContact SD-CD2 3.59Å; M421-L438 VanDerWaalsContact SD-CD2 3.59Å; M421-L438 HydrophobicContact SD-CG 4.36Å; L438-L440 HydrophobicContact CD2-CB 4.34Å; L438-L440 HydrophobicContact CG-CB 4.29Å; L438-L470 HydrophobicContact CD2-CD1 4.08Å; L438-L470 HydrophobicContact CD2-CD2 4.18Å; L438-S474 PolarHBondContact N-O 2.69Å; L438-T475 HydrophobicContact CB-CG2 4.25Å; L438-T475 HydrophobicContact CD2-CG2 3.82Å; L438-T475 HydrophobicContact CG-CG2 4.02Å; L438-T475 CarbonylContact O-C 3.53Å; L438-T475 WeakPolarHBondContact O-CA 3.45Å; L438-I476 PolarHBondContact O-N 3.45Å
439	L	98.8	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	94.7	161.1	179.1	60	0	0	0	108.9	L392 F396 I404 F405 A406 F407 H441 I476 A478 R499	L392-L439 HydrophobicContact CD1-CD2 4.48Å; L392-L439 HydrophobicContact CD2-CD1 3.79Å; F396-L439 HydrophobicContact CE1-CB 4.41Å; F396-L439 HydrophobicContact CZ-CB 4.11Å; F396-L439 HydrophobicContact CZ-CD1 4.14Å; F396-L439 HydrophobicContact CZ-CD2 4.03Å; F396-L439 HydrophobicContact CZ-CG 4.29Å; I404-L439 HydrophobicContact CG2-CB 4.39Å; F405-L439 PolarHBondContact O-N 3.31Å; A406-L439 HydrophobicContact CB-CB 4.33Å; A406-L439 HydrophobicContact CB-CD2 4.33Å; F407-L439 PolarHBondContact N-O 2.9Å; L439-H441 HydrophobicContact CD1-CB 4.49Å; L439-H441 WeakPolarHBondContact CD2-ND1 3.36Å; L439-H441 HydrophobicContact CG-CB 4.02Å; L439-H441 PolarHBondContact O-N 3.4Å; L439-I476 HydrophobicContact CD1-CB 4.37Å; L439-I476 HydrophobicContact CD1-CG2 3.98Å; L439-A478 HydrophobicContact CD1-CB 4.19Å; L439-R499 HydrophobicContact CD2-CG 4.13Å
440	L	98.6	Very high	95.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	107.4	172.1	-179.1	65.6	0	0	0	108.1	F407 L409 V413 M421 L438 P442 H461 L470 T475 I476 V477 A478	F407-L440 HydrophobicContact CD1-CD1 4.08Å; L409-L440 HydrophobicContact CD1-CD1 3.91Å; L409-L440 HydrophobicContact CD2-CD1 3.7Å; L409-L440 HydrophobicContact CD2-CG 4.31Å; V413-L440 HydrophobicContact CG2-CD1 4.31Å; M421-L440 HydrophobicContact CE-CD1 4.27Å; M421-L440 HydrophobicContact SD-CD1 3.87Å; L438-L440 HydrophobicContact CD2-CB 4.34Å; L438-L440 HydrophobicContact CG-CB 4.29Å; L440-P442 VanDerWaalsContact C-CD 3.48Å; L440-P442 WeakPolarHBondContact O-CD 3.12Å; L440-H461 HydrophobicContact CD2-CB 4.31Å; L440-L470 HydrophobicContact CD2-CD1 4.14Å; L440-T475 HydrophobicContact CB-CG2 3.99Å; L440-I476 PolarHBondContact N-O 2.86Å; L440-V477 HydrophobicContact CD2-CG2 4.22Å; L440-V477 WeakPolarHBondContact O-CA 3.38Å; L440-A478 PolarHBondContact O-N 2.92Å
441	H	98.6	Very high	95.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	67.4	-157.5	-147.8	164.4	0	0	0	113.6	W263 F407 Q408 L409 L439 L443 A478 F480 R499	W263-H441 AromaticContact CH2-CE1 3.45Å; W263-H441 VanDerWaalsContact CH2-CE1 3.45Å; W263-H441 WeakPolarHBondContact CH2-CE1 3.5Å; W263-H441 AromaticContact CH2-NE2 3.72Å; W263-H441 AromaticContact CZ3-CE1 3.83Å; F407-H441 PolarHBondContact O-N 3.29Å; Q408-H441 PolarHBondContact OE1-O 3.48Å; Q408-H441 VanDerWaalsContact OE1-O 3.06Å; L409-H441 VanDerWaalsContact CD2-C 3.49Å; L439-H441 HydrophobicContact CD1-CB 4.49Å; L439-H441 WeakPolarHBondContact CD2-ND1 3.36Å; L439-H441 HydrophobicContact CG-CB 4.02Å; L439-H441 PolarHBondContact O-N 3.4Å; H441-L443 PolarHBondContact O-N 2.89Å; H441-A478 WeakPolarHBondContact CA-O 3.29Å; H441-A478 PolarHBondContact CD2-O 3.05Å; H441-F480 PolarHBondContact CD2-N 3.34Å; H441-R499 PolarHBondContact ND1-NE 3.41Å; H441-R499 PolarHBondContact O-NH2 2.71Å; H441-R499 VanDerWaalsContact O-NH2 3.1Å
442	P	98.4	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	136	178.9	23.7	-36.7	0	0	0	112.5	L409 L440 M458 A478 I479 F480	L409-P442 HydrophobicContact CD2-CB 4.21Å; L409-P442 VanDerWaalsContact CD2-N 3.33Å; L409-P442 HydrophobicContact CG-CB 4.25Å; L409-P442 CarbonylContact O-C 3.54Å; L409-P442 VanDerWaalsContact O-CA 3.28Å; L409-P442 WeakPolarHBondContact O-CA 3.19Å; L440-P442 VanDerWaalsContact C-CD 3.48Å; L440-P442 WeakPolarHBondContact O-CD 3.12Å; P442-M458 HydrophobicContact CB-SD 4.36Å; P442-M458 HydrophobicContact CG-SD 3.53Å; P442-M458 VanDerWaalsContact CG-SD 3.53Å; P442-A478 WeakPolarHBondContact CD-O 3.47Å; P442-A478 WeakPolarHBondContact CG-O 3.16Å; P442-I479 HydrophobicContact CG-CG1 4.49Å; P442-I479 WeakPolarHBondContact O-CA 3.49Å; P442-F480 PolarHBondContact O-N 2.86Å
443	L	98.2	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-72	132.9	170.4	-174.5	150.6	0	0	0	110.3	L409 H441 T447 R457 F480 S482 M484	L409-L443 PolarHBondContact O-N 3.28Å; H441-L443 PolarHBondContact O-N 2.89Å; L443-T447 HydrophobicContact CD2-CG2 3.82Å; L443-R457 PolarHBondContact O-NH1 2.76Å; L443-R457 PolarHBondContact O-NH2 3.39Å; L443-F480 HydrophobicContact CD1-CD1 4.21Å; L443-F480 HydrophobicContact CG-CD1 4.36Å; L443-S482 WeakPolarHBondContact CD1-O 3.45Å; L443-S482 WeakPolarHBondContact CD2-O 3.5Å; L443-S482 WeakPolarHBondContact CG-O 3.31Å; L443-M484 HydrophobicContact CD1-CB 3.96Å; L443-M484 HydrophobicContact CD1-SD 3.8Å; L443-M484 HydrophobicContact CD2-CB 3.81Å
444	G	97.8	Very high	96.3	Very high	13 Å²	13	32.7 Å²	32.7	13%	0.134	17%	0.17	C	C	.	.			trans	-126.1	2.4	-176.6	0	0	0	0	0	116.2	F480	G444-F480 PolarHBondContact N-O 3.14Å
445	G	98	Very high	96.5	Very high	8 Å²	8	27.3 Å²	27.3	8%	0.082	15%	0.154	C	C	.	.	S	Bend	trans	-71	-166.2	164.2	0	0	0	0	0	112.1	T447 P481 S482	G445-T447 PolarHBondContact O-N 3.06Å; G445-P481 WeakPolarHBondContact CA-O 3.24Å; G445-S482 VanDerWaalsContact CA-O 3.3Å; G445-S482 WeakPolarHBondContact CA-O 3.22Å; G445-S482 PolarHBondContact N-O 3.23Å
446	W	98.6	Very high	96.6	Very high	58 Å²	58	27.3 Å²	27.3	22%	0.22	15%	0.15	C	C	.	.			trans	-54.8	136.7	177.6	179.1	93.7	0	0	0	111.7	L251 P353 Y354 M357 K448 P483 M484 Y486	L251-W446 HydrophobicContact CD1-CB 3.73Å; L251-W446 HydrophobicContact CD1-CG 4.25Å; P353-W446 HydrophobicContact CB-CH2 3.8Å; P353-W446 HydrophobicContact CB-CZ2 4.29Å; P353-W446 HydrophobicContact CG-CH2 4.13Å; Y354-W446 AromaticContact CD2-CE3 3.81Å; Y354-W446 HydrophobicContact CD2-CE3 3.81Å; Y354-W446 AromaticContact CD2-CZ3 3.64Å; Y354-W446 HydrophobicContact CD2-CZ3 3.64Å; Y354-W446 HydrophobicContact CE2-CE3 4.26Å; Y354-W446 HydrophobicContact CG-CZ3 4.42Å; M357-W446 HydrophobicContact CE-CD2 3.59Å; M357-W446 HydrophobicContact CE-CE3 3.69Å; M357-W446 HydrophobicContact CE-CG 4.31Å; M357-W446 HydrophobicContact CE-CH2 3.66Å; M357-W446 HydrophobicContact CE-CZ2 3.55Å; M357-W446 HydrophobicContact CE-CZ3 3.72Å; M357-W446 HydrophobicContact SD-CD2 4.32Å; M357-W446 HydrophobicContact SD-CZ2 4.08Å; W446-K448 HydrophobicContact CH2-CB 4.14Å; W446-P483 HydrophobicContact CB-CB 4.26Å; W446-M484 VanDerWaalsContact CE3-O 3.28Å; W446-M484 WeakPolarHBondContact CZ3-O 3.36Å; W446-M484 WeakPolarHBondContact O-CB 3.28Å; W446-M484 PolarHBondContact O-N 3.46Å; W446-Y486 HydrophobicContact CH2-CE2 4.34Å; W446-Y486 HydrophobicContact CZ3-CD2 4.21Å; W446-Y486 AromaticContact CZ3-CE2 3.74Å; W446-Y486 HydrophobicContact CZ3-CE2 3.74Å
447	T	97.9	Very high	96.6	Very high	27 Å²	27	27.2 Å²	27.2	17%	0.166	15%	0.15	C	C	.	.			trans	-133.5	153.7	171.8	54.4	0	0	0	0	108.2	L443 G445 M484 Y486	L443-T447 HydrophobicContact CD2-CG2 3.82Å; G445-T447 PolarHBondContact O-N 3.06Å; T447-M484 HydrophobicContact CG2-CB 4.18Å; T447-Y486 WeakPolarHBondContact CA-OH 3.21Å; T447-Y486 WeakPolarHBondContact CB-OH 3.21Å
448	K	94.9	Very high	96.6	Very high	21 Å²	21	27.8 Å²	27.8	9%	0.091	15%	0.152	C	C	.	.			trans	-64.2	157.4	177.4	71.3	-170.2	179.4	109	0	112.2	P353 W446 D450 D451 Y486 M516	P353-K448 HydrophobicContact CB-CB 4.23Å; P353-K448 HydrophobicContact CG-CB 3.89Å; P353-K448 HydrophobicContact CG-CD 4.34Å; W446-K448 HydrophobicContact CH2-CB 4.14Å; K448-D450 VanDerWaalsContact C-N 3.3Å; K448-D450 WeakPolarHBondContact CD-OD1 3.46Å; K448-D450 WeakPolarHBondContact CE-OD1 3.49Å; K448-D450 VanDerWaalsContact CG-OD1 3.26Å; K448-D450 WeakPolarHBondContact CG-OD1 3.45Å; K448-D450 IonicContact NZ-OD1 2.74Å; K448-D450 PolarHBondContact NZ-OD1 2.87Å; K448-D450 IonicContact NZ-OD2 2.84Å; K448-D450 PolarHBondContact NZ-OD2 2.94Å; K448-D450 PolarHBondContact O-N 2.93Å; K448-D450 VanDerWaalsContact O-N 3.16Å; K448-D451 VanDerWaalsContact CE-OD1 3.31Å; K448-D451 WeakPolarHBondContact CE-OD1 3.39Å; K448-D451 IonicContact NZ-OD1 2.72Å; K448-D451 PolarHBondContact O-N 3.29Å; K448-D451 VanDerWaalsContact O-N 3.1Å; K448-Y486 HydrophobicContact CB-CE2 4Å; K448-Y486 HydrophobicContact CD-CD1 4.25Å; K448-Y486 HydrophobicContact CD-CE1 3.71Å; K448-Y486 HydrophobicContact CD-CE2 4.1Å; K448-Y486 HydrophobicContact CG-CE1 4.13Å; K448-Y486 HydrophobicContact CG-CE2 4.09Å; K448-Y486 WeakPolarHBondContact CG-OH 3.31Å; K448-Y486 PolarHBondContact N-OH 2.88Å; K448-M516 HydrophobicContact CD-CE 4.45Å; K448-M516 HydrophobicContact CD-SD 4.35Å
449	D	91.3	Very high	96.5	Very high	159 Å²	159	33.3 Å²	33.3	85%	0.85	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.4	-167.3	-58.3	-23.9	0	0	0	115.5
450	D	88.3	Confident	96.5	Very high	88 Å²	88	33.3 Å²	33.3	47%	0.471	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.7	-179.5	68.6	-58.7	0	0	0	114.3	K448	K448-D450 VanDerWaalsContact C-N 3.3Å; K448-D450 WeakPolarHBondContact CD-OD1 3.46Å; K448-D450 WeakPolarHBondContact CE-OD1 3.49Å; K448-D450 VanDerWaalsContact CG-OD1 3.26Å; K448-D450 WeakPolarHBondContact CG-OD1 3.45Å; K448-D450 IonicContact NZ-OD1 2.74Å; K448-D450 PolarHBondContact NZ-OD1 2.87Å; K448-D450 IonicContact NZ-OD2 2.84Å; K448-D450 PolarHBondContact NZ-OD2 2.94Å; K448-D450 PolarHBondContact O-N 2.93Å; K448-D450 VanDerWaalsContact O-N 3.16Å
451	D	92.8	Very high	96.4	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.048	18%	0.176	C	C	.	.	S	Bend	trans	-77	151.5	172	-77.5	-1.9	0	0	0	110.9	R410 K448 P453 Y486	R410-D451 IonicContact NE-OD2 2.76Å; K448-D451 VanDerWaalsContact CE-OD1 3.31Å; K448-D451 WeakPolarHBondContact CE-OD1 3.39Å; K448-D451 IonicContact NZ-OD1 2.72Å; K448-D451 PolarHBondContact O-N 3.29Å; K448-D451 VanDerWaalsContact O-N 3.1Å; D451-P453 WeakPolarHBondContact O-CD 3.14Å; D451-Y486 PolarHBondContact OD2-OH 2.85Å
452	V	93.9	Very high	96.4	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-67.6	127.2	176.9	-178.9	0	0	0	0	109	P412 W456 R457 Y606 Y607	P412-V452 HydrophobicContact CG-CB 4.31Å; P412-V452 HydrophobicContact CG-CG2 3.91Å; V452-W456 HydrophobicContact CG1-CB 3.72Å; V452-R457 HydrophobicContact CB-CG 3.97Å; V452-R457 HydrophobicContact CG1-CG 3.9Å; V452-R457 WeakPolarHBondContact O-CD 3.21Å; V452-R457 PolarHBondContact O-NE 2.93Å; V452-Y606 HydrophobicContact CB-CE1 4.32Å; V452-Y606 HydrophobicContact CG1-CD1 4.03Å; V452-Y606 HydrophobicContact CG1-CE1 4.02Å; V452-Y606 HydrophobicContact CG1-CG 4.47Å; V452-Y606 HydrophobicContact CG2-CD1 4.32Å; V452-Y606 HydrophobicContact CG2-CE1 3.93Å; V452-Y607 WeakPolarHBondContact CG2-OH 3.1Å
453	P	96	Very high	96.3	Very high	50 Å²	50	36 Å²	36	33%	0.325	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-56.7	149.6	-179.1	-25.7	32.7	0	0	0	112.7	D451 S455 W456 R457 Y606	D451-P453 WeakPolarHBondContact O-CD 3.14Å; P453-S455 VanDerWaalsContact C-N 3.32Å; P453-S455 PolarHBondContact O-N 3.16Å; P453-W456 PolarHBondContact O-N 3.34Å; P453-W456 VanDerWaalsContact O-N 3.1Å; P453-R457 PolarHBondContact O-N 2.92Å; P453-R457 VanDerWaalsContact O-N 3.07Å; P453-Y606 VanDerWaalsContact CD-CE2 3.5Å; P453-Y606 VanDerWaalsContact CD-CZ 3.42Å; P453-Y606 VanDerWaalsContact CD-OH 3.25Å; P453-Y606 WeakPolarHBondContact CD-OH 3.23Å; P453-Y606 HydrophobicContact CG-CE2 3.97Å
454	L	97.4	Very high	96.3	Very high	22 Å²	22	36 Å²	36	12%	0.115	20%	0.198	C	C	.	.	H	α-helix	trans	-52.8	-45.8	-175.7	178.5	62.2	0	0	0	113.2	L382 W456 R457 M458 I479	L382-L454 HydrophobicContact CD1-CD2 4.06Å; L382-L454 HydrophobicContact CD1-CG 3.95Å; L454-W456 VanDerWaalsContact C-N 3.29Å; L454-W456 PolarHBondContact O-N 3.19Å; L454-R457 PolarHBondContact O-N 3.16Å; L454-R457 VanDerWaalsContact O-N 3.12Å; L454-M458 HydrophobicContact CD1-CG 3.99Å; L454-M458 HydrophobicContact CD1-SD 4.33Å; L454-M458 HydrophobicContact CG-CG 4.29Å; L454-M458 WeakPolarHBondContact O-CG 3.3Å; L454-M458 PolarHBondContact O-N 2.9Å; L454-I479 HydrophobicContact CD1-CD1 4.35Å; L454-I479 HydrophobicContact CD1-CG1 4.41Å; L454-I479 HydrophobicContact CD1-CG2 4.48Å; L454-I479 HydrophobicContact CD2-CD1 4.16Å; L454-I479 HydrophobicContact CD2-CG2 4.22Å; L454-I479 HydrophobicContact CG-CD1 4.47Å
455	S	97.3	Very high	96.2	Very high	55 Å²	55	36.6 Å²	36.6	39%	0.385	20%	0.198	S	C	.	.	H	α-helix	trans	-59.4	-37.8	-179.3	57	0	0	0	0	113.1	P453 K459	P453-S455 VanDerWaalsContact C-N 3.32Å; P453-S455 PolarHBondContact O-N 3.16Å; S455-K459 WeakPolarHBondContact O-CG 3.41Å; S455-K459 PolarHBondContact O-N 2.86Å; S455-K459 VanDerWaalsContact O-N 3.17Å
456	W	97.3	Very high	96.1	Very high	51 Å²	51	42.5 Å²	42.5	19%	0.193	22%	0.223	C	C	.	.	H	α-helix	trans	-73.4	-37.6	175.6	-71.8	107.4	0	0	0	112.3	V452 P453 L454 K459 Q460 V602 E605 Y606	V452-W456 HydrophobicContact CG1-CB 3.72Å; P453-W456 PolarHBondContact O-N 3.34Å; P453-W456 VanDerWaalsContact O-N 3.1Å; L454-W456 VanDerWaalsContact C-N 3.29Å; L454-W456 PolarHBondContact O-N 3.19Å; W456-K459 HydrophobicContact CE3-CD 4.27Å; W456-K459 HydrophobicContact CZ3-CD 4.5Å; W456-K459 PolarHBondContact O-N 2.9Å; W456-Q460 WeakPolarHBondContact O-CB 3.31Å; W456-Q460 PolarHBondContact O-N 3.36Å; W456-V602 HydrophobicContact CE3-CG1 3.97Å; W456-V602 HydrophobicContact CZ3-CG1 4.43Å; W456-E605 HydrophobicContact CH2-CB 4.39Å; W456-E605 HydrophobicContact CZ3-CB 4.14Å; W456-Y606 HydrophobicContact CB-CD2 4.39Å; W456-Y606 HydrophobicContact CB-CG 4.44Å; W456-Y606 AromaticContact CD1-CD2 3.42Å; W456-Y606 VanDerWaalsContact CD1-CD2 3.42Å; W456-Y606 AromaticContact CD1-CE2 3.91Å; W456-Y606 AromaticContact CD2-CD2 3.94Å; W456-Y606 HydrophobicContact CD2-CD2 3.94Å; W456-Y606 HydrophobicContact CD2-CG 4.21Å; W456-Y606 AromaticContact CE2-CD2 3.85Å; W456-Y606 AromaticContact CG-CD2 3.69Å; W456-Y606 HydrophobicContact CG-CD2 3.69Å; W456-Y606 HydrophobicContact CG-CE2 4.47Å; W456-Y606 HydrophobicContact CG-CG 4.06Å; W456-Y606 AromaticContact NE1-CD2 3.52Å
457	R	97.5	Very high	96	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-45.2	173.1	-71	-174.1	-74.7	120.9	-10.9	111.8	R410 L443 V452 P453 L454 K459 Q460 H461	R410-R457 WeakPolarHBondContact O-CD 3.38Å; R410-R457 PolarHBondContact O-NE 3.47Å; L443-R457 PolarHBondContact O-NH1 2.76Å; L443-R457 PolarHBondContact O-NH2 3.39Å; V452-R457 HydrophobicContact CB-CG 3.97Å; V452-R457 HydrophobicContact CG1-CG 3.9Å; V452-R457 WeakPolarHBondContact O-CD 3.21Å; V452-R457 PolarHBondContact O-NE 2.93Å; P453-R457 PolarHBondContact O-N 2.92Å; P453-R457 VanDerWaalsContact O-N 3.07Å; L454-R457 PolarHBondContact O-N 3.16Å; L454-R457 VanDerWaalsContact O-N 3.12Å; R457-K459 PolarHBondContact O-N 3.45Å; R457-Q460 CarbonylContact O-C 3.47Å; R457-Q460 WeakPolarHBondContact O-CB 3.43Å; R457-Q460 PolarHBondContact O-N 3.02Å; R457-Q460 VanDerWaalsContact O-N 3.1Å; R457-H461 PolarHBondContact O-CD2 2.74Å; R457-H461 PolarHBondContact O-N 3.42Å; R457-H461 PolarHBondContact O-ND1 3.31Å
458	M	98.2	Very high	95.9	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-43.5	178.1	-67.4	-56.6	-66	0	0	112.1	L382 Y385 P442 L454 Q460 H461 A462 V477 I479	L382-M458 HydrophobicContact CD1-CG 4.19Å; L382-M458 HydrophobicContact CD2-CB 4.07Å; L382-M458 HydrophobicContact CD2-CG 4.13Å; Y385-M458 HydrophobicContact CD1-CE 3.72Å; Y385-M458 HydrophobicContact CD2-CE 3.73Å; Y385-M458 HydrophobicContact CE1-CE 4.09Å; Y385-M458 HydrophobicContact CE2-CE 4.08Å; Y385-M458 HydrophobicContact CG-CE 3.53Å; P442-M458 HydrophobicContact CB-SD 4.36Å; P442-M458 HydrophobicContact CG-SD 3.53Å; P442-M458 VanDerWaalsContact CG-SD 3.53Å; L454-M458 HydrophobicContact CD1-CG 3.99Å; L454-M458 HydrophobicContact CD1-SD 4.33Å; L454-M458 HydrophobicContact CG-CG 4.29Å; L454-M458 WeakPolarHBondContact O-CG 3.3Å; L454-M458 PolarHBondContact O-N 2.9Å; M458-Q460 VanDerWaalsContact C-N 3.31Å; M458-Q460 PolarHBondContact O-N 2.82Å; M458-H461 PolarHBondContact O-N 3.24Å; M458-A462 PolarHBondContact O-N 3.15Å; M458-V477 HydrophobicContact CE-CG1 3.74Å; M458-I479 HydrophobicContact CE-CD1 4.1Å; M458-I479 HydrophobicContact CE-CG1 4Å; M458-I479 HydrophobicContact CG-CD1 4.17Å; M458-I479 HydrophobicContact SD-CD1 4.04Å; M458-I479 HydrophobicContact SD-CG1 3.81Å
459	K	97.8	Very high	95.9	Very high	120 Å²	120	44.3 Å²	44.3	52%	0.522	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-42.7	171.7	-73.3	177.3	-178.1	-177.6	0	111.9	S455 W456 R457 A462 A463 V602	S455-K459 WeakPolarHBondContact O-CG 3.41Å; S455-K459 PolarHBondContact O-N 2.86Å; S455-K459 VanDerWaalsContact O-N 3.17Å; W456-K459 HydrophobicContact CE3-CD 4.27Å; W456-K459 HydrophobicContact CZ3-CD 4.5Å; W456-K459 PolarHBondContact O-N 2.9Å; R457-K459 PolarHBondContact O-N 3.45Å; K459-A462 PolarHBondContact O-N 3.42Å; K459-A463 PolarHBondContact O-N 3.08Å; K459-A463 VanDerWaalsContact O-N 3.09Å; K459-V602 HydrophobicContact CB-CG1 3.89Å
460	Q	97.4	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-40.8	179.4	-170.3	-86	-15.8	0	0	111.7	P412 V413 W456 R457 M458 A463 V464 M595 A599 V602 L603	P412-Q460 HydrophobicContact CB-CG 4.24Å; V413-Q460 PolarHBondContact O-NE2 3.25Å; W456-Q460 WeakPolarHBondContact O-CB 3.31Å; W456-Q460 PolarHBondContact O-N 3.36Å; R457-Q460 CarbonylContact O-C 3.47Å; R457-Q460 WeakPolarHBondContact O-CB 3.43Å; R457-Q460 PolarHBondContact O-N 3.02Å; R457-Q460 VanDerWaalsContact O-N 3.1Å; M458-Q460 VanDerWaalsContact C-N 3.31Å; M458-Q460 PolarHBondContact O-N 2.82Å; Q460-A463 WeakPolarHBondContact O-CB 3.25Å; Q460-A463 PolarHBondContact O-N 3.32Å; Q460-V464 WeakPolarHBondContact O-CG2 3.48Å; Q460-V464 PolarHBondContact O-N 3.3Å; Q460-V464 VanDerWaalsContact O-N 3.08Å; Q460-M595 PolarHBondContact NE2-SD 3.5Å; Q460-M595 VanDerWaalsContact NE2-SD 3.37Å; Q460-A599 HydrophobicContact CG-CB 4.07Å; Q460-V602 HydrophobicContact CB-CB 4.4Å; Q460-V602 HydrophobicContact CB-CG1 4.02Å; Q460-L603 HydrophobicContact CG-CD2 4.11Å; Q460-L603 HydrophobicContact CG-CG 4.24Å
461	H	97.5	Very high	96.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.5	-38.7	177	-58.5	-15.2	0	0	0	112	L440 R457 M458 A463 V464 L465	L440-H461 HydrophobicContact CD2-CB 4.31Å; R457-H461 PolarHBondContact O-CD2 2.74Å; R457-H461 PolarHBondContact O-N 3.42Å; R457-H461 PolarHBondContact O-ND1 3.31Å; M458-H461 PolarHBondContact O-N 3.24Å; H461-A463 VanDerWaalsContact C-N 3.3Å; H461-A463 PolarHBondContact O-N 3.17Å; H461-V464 WeakPolarHBondContact O-CB 3.4Å; H461-V464 PolarHBondContact O-N 2.84Å; H461-L465 PolarHBondContact O-N 3.15Å; H461-L465 VanDerWaalsContact O-N 3.12Å
462	A	97.1	Very high	96.6	Very high	48 Å²	48	39.4 Å²	39.4	40%	0.397	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-42.6	172.8	0	0	0	0	0	111.4	M458 K459 V464 L465 E466	M458-A462 PolarHBondContact O-N 3.15Å; K459-A462 PolarHBondContact O-N 3.42Å; A462-V464 PolarHBondContact O-N 3.31Å; A462-L465 PolarHBondContact O-N 3.18Å; A462-E466 WeakPolarHBondContact O-CB 3.2Å; A462-E466 PolarHBondContact O-N 3.25Å
463	A	97.3	Very high	96.8	Very high	7 Å²	7	43.3 Å²	43.3	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-38.1	175.8	0	0	0	0	0	112.9	K459 Q460 H461 L465 E466 E467 K598 A599 V602	K459-A463 PolarHBondContact O-N 3.08Å; K459-A463 VanDerWaalsContact O-N 3.09Å; Q460-A463 WeakPolarHBondContact O-CB 3.25Å; Q460-A463 PolarHBondContact O-N 3.32Å; H461-A463 VanDerWaalsContact C-N 3.3Å; H461-A463 PolarHBondContact O-N 3.17Å; A463-L465 VanDerWaalsContact C-N 3.32Å; A463-L465 PolarHBondContact O-N 3Å; A463-E466 PolarHBondContact O-N 2.81Å; A463-E467 WeakPolarHBondContact O-CG 3.34Å; A463-E467 PolarHBondContact O-N 3.31Å; A463-E467 VanDerWaalsContact O-N 3.09Å; A463-K598 HydrophobicContact CB-CB 3.95Å; A463-A599 HydrophobicContact CB-CB 4.08Å; A463-V602 HydrophobicContact CB-CG2 4.36Å
464	V	97.1	Very high	96.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-40.5	174.5	171.2	0	0	0	0	111.7	V413 Q460 H461 A462 V469 L470 A599	V413-V464 HydrophobicContact CB-CG2 4.27Å; V413-V464 HydrophobicContact CG1-CG1 4.14Å; V413-V464 HydrophobicContact CG1-CG2 4.38Å; Q460-V464 WeakPolarHBondContact O-CG2 3.48Å; Q460-V464 PolarHBondContact O-N 3.3Å; Q460-V464 VanDerWaalsContact O-N 3.08Å; H461-V464 WeakPolarHBondContact O-CB 3.4Å; H461-V464 PolarHBondContact O-N 2.84Å; A462-V464 PolarHBondContact O-N 3.31Å; V464-V469 HydrophobicContact CG1-CB 3.86Å; V464-V469 HydrophobicContact CG1-CG1 3.98Å; V464-V469 PolarHBondContact O-N 3.28Å; V464-L470 HydrophobicContact CG1-CD1 4.12Å; V464-L470 HydrophobicContact CG1-CG 4.13Å; V464-A599 HydrophobicContact CG2-CB 3.57Å
465	L	96.4	Very high	96.9	Very high	26 Å²	26	41 Å²	41	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-71.6	-40.3	176.6	-72.4	162.5	0	0	0	112.2	H461 A462 A463 E467 G468 L470 P472 T475 V477	H461-L465 PolarHBondContact O-N 3.15Å; H461-L465 VanDerWaalsContact O-N 3.12Å; A462-L465 PolarHBondContact O-N 3.18Å; A463-L465 VanDerWaalsContact C-N 3.32Å; A463-L465 PolarHBondContact O-N 3Å; L465-E467 PolarHBondContact O-N 3.32Å; L465-G468 PolarHBondContact O-N 3.46Å; L465-L470 HydrophobicContact CD2-CB 3.7Å; L465-P472 HydrophobicContact CD2-CB 4.27Å; L465-T475 HydrophobicContact CD2-CG2 4.03Å; L465-V477 HydrophobicContact CD1-CG2 3.38Å
466	E	96.7	Very high	96.9	Very high	132 Å²	132	39 Å²	39	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-61.9	-32.8	178.2	-166.6	-169.7	164.2	0	0	112.1	A462 A463 G468 K598	A462-E466 WeakPolarHBondContact O-CB 3.2Å; A462-E466 PolarHBondContact O-N 3.25Å; A463-E466 PolarHBondContact O-N 2.81Å; E466-G468 VanDerWaalsContact C-N 3.27Å; E466-G468 PolarHBondContact O-N 2.82Å; E466-K598 IonicContact OE1-NZ 2.78Å; E466-K598 PolarHBondContact OE1-NZ 2.9Å; E466-K598 IonicContact OE2-NZ 3.82Å
467	E	95.6	Very high	97	Very high	67 Å²	67	37.7 Å²	37.7	31%	0.313	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.1	175.2	-66.6	-166.1	-97.9	0	0	113.9	A463 L465 V469 A596 P597 K598 A599	A463-E467 WeakPolarHBondContact O-CG 3.34Å; A463-E467 PolarHBondContact O-N 3.31Å; A463-E467 VanDerWaalsContact O-N 3.09Å; L465-E467 PolarHBondContact O-N 3.32Å; E467-V469 HydrophobicContact CB-CG2 4.37Å; E467-V469 PolarHBondContact O-N 3.04Å; E467-A596 HydrophobicContact CB-CB 4.27Å; E467-A596 HydrophobicContact CG-CB 4.46Å; E467-A596 WeakPolarHBondContact OE1-CB 3.36Å; E467-P597 VanDerWaalsContact OE2-CD 3.26Å; E467-P597 WeakPolarHBondContact OE2-CD 3.29Å; E467-K598 HydrophobicContact CG-CB 4.08Å; E467-K598 HydrophobicContact CG-CD 3.79Å; E467-K598 HydrophobicContact CG-CG 3.91Å; E467-K598 WeakPolarHBondContact OE1-CA 3.49Å; E467-K598 WeakPolarHBondContact OE1-CB 3.35Å; E467-K598 PolarHBondContact OE1-N 3.01Å; E467-A599 PolarHBondContact OE1-N 3.06Å
468	G	95.2	Very high	97	Very high	52 Å²	52	37.6 Å²	37.6	54%	0.536	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	14.6	177.8	0	0	0	0	0	114.4	L465 E466 L470	L465-G468 PolarHBondContact O-N 3.46Å; E466-G468 VanDerWaalsContact C-N 3.27Å; E466-G468 PolarHBondContact O-N 2.82Å; G468-L470 PolarHBondContact O-N 3.13Å
469	V	94.9	Very high	97.1	Very high	26 Å²	26	37.1 Å²	37.1	16%	0.158	22%	0.22	C	C	.	.	S	Bend	trans	-64.6	-37.3	173.8	173.7	0	0	0	0	109.9	A418 Q422 V464 E467 A596	A418-V469 HydrophobicContact CB-CG1 3.49Å; A418-V469 VanDerWaalsContact CB-CG1 3.49Å; Q422-V469 PolarHBondContact NE2-O 3.09Å; V464-V469 HydrophobicContact CG1-CB 3.86Å; V464-V469 HydrophobicContact CG1-CG1 3.98Å; V464-V469 PolarHBondContact O-N 3.28Å; E467-V469 HydrophobicContact CB-CG2 4.37Å; E467-V469 PolarHBondContact O-N 3.04Å; V469-A596 HydrophobicContact CG2-CB 3.78Å
470	L	96.5	Very high	97.1	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.037	20%	0.195	C	C	.	.	S	Bend	trans	-115.9	140.9	164.1	-63.6	174	0	0	0	107.8	A418 M421 L438 L440 V464 L465 G468 P472	A418-L470 HydrophobicContact CB-CD2 4.3Å; M421-L470 HydrophobicContact CB-CD2 4.06Å; M421-L470 HydrophobicContact CE-CD1 3.7Å; M421-L470 HydrophobicContact CE-CD2 4.09Å; M421-L470 HydrophobicContact CE-CG 4.46Å; M421-L470 HydrophobicContact SD-CD1 4.16Å; M421-L470 HydrophobicContact SD-CD2 4.44Å; L438-L470 HydrophobicContact CD2-CD1 4.08Å; L438-L470 HydrophobicContact CD2-CD2 4.18Å; L440-L470 HydrophobicContact CD2-CD1 4.14Å; V464-L470 HydrophobicContact CG1-CD1 4.12Å; V464-L470 HydrophobicContact CG1-CG 4.13Å; L465-L470 HydrophobicContact CD2-CB 3.7Å; G468-L470 PolarHBondContact O-N 3.13Å; L470-P472 WeakPolarHBondContact O-CD 3.41Å
471	D	96.1	Very high	97.2	Very high	64 Å²	64	31.5 Å²	31.5	34%	0.342	20%	0.196	S	C	.	.			trans	-77.9	115	-179.3	167.6	18.2	0	0	0	109.9	K425 S473 S474 T475	K425-D471 IonicContact NZ-OD2 3.55Å; K425-D471 PolarHBondContact NZ-OD2 3.32Å; D471-S473 PolarHBondContact O-N 2.84Å; D471-S473 WeakPolarHBondContact OD1-CB 3.41Å; D471-S473 PolarHBondContact OD1-N 3.05Å; D471-S473 PolarHBondContact OD1-OG 3.48Å; D471-S473 PolarHBondContact OD2-OG 2.85Å; D471-S474 VanDerWaalsContact CG-OG 3.27Å; D471-S474 PolarHBondContact O-N 3.46Å; D471-S474 PolarHBondContact OD2-OG 2.79Å; D471-T475 VanDerWaalsContact O-CB 3.3Å; D471-T475 WeakPolarHBondContact O-CB 3.39Å; D471-T475 PolarHBondContact O-N 2.74Å; D471-T475 PolarHBondContact O-OG1 2.88Å
472	P	96.2	Very high	97.2	Very high	81 Å²	81	31.4 Å²	31.4	53%	0.526	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-68.2	-22.5	-177.4	28.3	-35	0	0	0	113.2	L465 L470 S474	L465-P472 HydrophobicContact CD2-CB 4.27Å; L470-P472 WeakPolarHBondContact O-CD 3.41Å; P472-S474 PolarHBondContact O-N 3.09Å
473	S	96.4	Very high	97.3	Very high	88 Å²	88	29.1 Å²	29.1	62%	0.615	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-72.4	-19	179.1	71.4	0	0	0	0	113.2	M399 D471	M399-S473 WeakPolarHBondContact CE-O 3.44Å; D471-S473 PolarHBondContact O-N 2.84Å; D471-S473 WeakPolarHBondContact OD1-CB 3.41Å; D471-S473 PolarHBondContact OD1-N 3.05Å; D471-S473 PolarHBondContact OD1-OG 3.48Å; D471-S473 PolarHBondContact OD2-OG 2.85Å
474	S	97.1	Very high	97.4	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-124.7	21.8	-179.7	56.1	0	0	0	0	112.6	K425 V437 L438 D471 P472	K425-S474 PolarHBondContact NZ-OG 3.41Å; V437-S474 WeakPolarHBondContact CA-O 3.33Å; L438-S474 PolarHBondContact N-O 2.69Å; D471-S474 VanDerWaalsContact CG-OG 3.27Å; D471-S474 PolarHBondContact O-N 3.46Å; D471-S474 PolarHBondContact OD2-OG 2.79Å; P472-S474 PolarHBondContact O-N 3.09Å
475	T	98.5	Very high	97.5	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.6	179.4	-57.9	0	0	0	0	111.2	L438 L440 L465 D471 V477	L438-T475 HydrophobicContact CB-CG2 4.25Å; L438-T475 HydrophobicContact CD2-CG2 3.82Å; L438-T475 HydrophobicContact CG-CG2 4.02Å; L438-T475 CarbonylContact O-C 3.53Å; L438-T475 WeakPolarHBondContact O-CA 3.45Å; L440-T475 HydrophobicContact CB-CG2 3.99Å; L465-T475 HydrophobicContact CD2-CG2 4.03Å; D471-T475 VanDerWaalsContact O-CB 3.3Å; D471-T475 WeakPolarHBondContact O-CB 3.39Å; D471-T475 PolarHBondContact O-N 2.74Å; D471-T475 PolarHBondContact O-OG1 2.88Å; T475-V477 HydrophobicContact CG2-CG2 4.33Å
476	I	98.6	Very high	97.6	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.6	165.1	-70.1	165.2	0	0	0	108.4	L387 L392 K395 F396 M399 V437 L438 L439 L440 A478	L387-I476 HydrophobicContact CD1-CG2 4.42Å; L392-I476 HydrophobicContact CD2-CG2 3.96Å; K395-I476 HydrophobicContact CB-CD1 3.79Å; K395-I476 HydrophobicContact CD-CD1 4.48Å; F396-I476 HydrophobicContact CD1-CD1 3.51Å; F396-I476 HydrophobicContact CE1-CD1 3.43Å; F396-I476 VanDerWaalsContact CE1-CD1 3.43Å; F396-I476 HydrophobicContact CZ-CD1 4.39Å; M399-I476 HydrophobicContact SD-CD1 3.48Å; M399-I476 WeakPolarHBondContact SD-CD1 3.33Å; M399-I476 HydrophobicContact SD-CG1 3.57Å; M399-I476 VanDerWaalsContact SD-CG1 3.57Å; V437-I476 HydrophobicContact CG1-CD1 4.15Å; V437-I476 HydrophobicContact CG1-CG1 4.34Å; L438-I476 PolarHBondContact O-N 3.45Å; L439-I476 HydrophobicContact CD1-CB 4.37Å; L439-I476 HydrophobicContact CD1-CG2 3.98Å; L440-I476 PolarHBondContact N-O 2.86Å; I476-A478 HydrophobicContact CG2-CB 4.38Å
477	V	98.6	Very high	97.6	Very high	24 Å²	24	21.4 Å²	21.4	15%	0.145	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.8	168.1	-169.9	0	0	0	0	108.7	L440 M458 L465 T475	L440-V477 HydrophobicContact CD2-CG2 4.22Å; L440-V477 WeakPolarHBondContact O-CA 3.38Å; M458-V477 HydrophobicContact CE-CG1 3.74Å; L465-V477 HydrophobicContact CD1-CG2 3.38Å; T475-V477 HydrophobicContact CG2-CG2 4.33Å
478	A	98.7	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.124	C	C	.	.			trans	-139.2	154.7	177.6	0	0	0	0	0	110.9	Y385 L387 L392 L439 L440 H441 P442 I476	Y385-A478 CarbonylContact O-C 3.57Å; Y385-A478 VanDerWaalsContact O-CA 3.27Å; Y385-A478 WeakPolarHBondContact O-CA 3.34Å; L387-A478 HydrophobicContact CB-CB 4.43Å; L387-A478 HydrophobicContact CD1-CB 4.11Å; L387-A478 HydrophobicContact CG-CB 4.41Å; L392-A478 HydrophobicContact CD2-CB 3.85Å; L439-A478 HydrophobicContact CD1-CB 4.19Å; L440-A478 PolarHBondContact O-N 2.92Å; H441-A478 WeakPolarHBondContact CA-O 3.29Å; H441-A478 PolarHBondContact CD2-O 3.05Å; P442-A478 WeakPolarHBondContact CD-O 3.47Å; P442-A478 WeakPolarHBondContact CG-O 3.16Å; I476-A478 HydrophobicContact CG2-CB 4.38Å
479	I	98.8	Very high	97.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.104	C	C	.	.			trans	-100.2	122.4	179.9	-65.8	170.7	0	0	0	108.9	L382 Y385 R386 P442 L454 M458	L382-I479 HydrophobicContact CB-CD1 3.83Å; L382-I479 HydrophobicContact CD1-CD1 4.32Å; Y385-I479 HydrophobicContact CG-CD1 4.48Å; Y385-I479 PolarHBondContact O-N 3.02Å; R386-I479 HydrophobicContact CG-CB 4.03Å; R386-I479 HydrophobicContact CG-CD1 4.43Å; R386-I479 HydrophobicContact CG-CG2 4.19Å; P442-I479 HydrophobicContact CG-CG1 4.49Å; P442-I479 WeakPolarHBondContact O-CA 3.49Å; L454-I479 HydrophobicContact CD1-CD1 4.35Å; L454-I479 HydrophobicContact CD1-CG1 4.41Å; L454-I479 HydrophobicContact CD1-CG2 4.48Å; L454-I479 HydrophobicContact CD2-CD1 4.16Å; L454-I479 HydrophobicContact CD2-CG2 4.22Å; L454-I479 HydrophobicContact CG-CD1 4.47Å; M458-I479 HydrophobicContact CE-CD1 4.1Å; M458-I479 HydrophobicContact CE-CG1 4Å; M458-I479 HydrophobicContact CG-CD1 4.17Å; M458-I479 HydrophobicContact SD-CD1 4.04Å; M458-I479 HydrophobicContact SD-CG1 3.81Å
480	F	98.8	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-82.8	121.1	172.7	178.1	-128.9	0	0	0	109.8	W263 H441 P442 L443 G444 S482 W494 A498 R499	W263-F480 HydrophobicContact CB-CE2 4.42Å; W263-F480 AromaticContact CD2-CD2 3.91Å; W263-F480 HydrophobicContact CD2-CD2 3.91Å; W263-F480 AromaticContact CD2-CE2 3.66Å; W263-F480 HydrophobicContact CD2-CE2 3.66Å; W263-F480 AromaticContact CE3-CD2 3.8Å; W263-F480 HydrophobicContact CE3-CD2 3.8Å; W263-F480 AromaticContact CE3-CE2 3.56Å; W263-F480 HydrophobicContact CE3-CE2 3.56Å; W263-F480 HydrophobicContact CG-CE2 4.06Å; W263-F480 HydrophobicContact CH2-CD2 4.08Å; W263-F480 HydrophobicContact CZ2-CD2 4.18Å; W263-F480 AromaticContact CZ3-CD2 3.88Å; W263-F480 HydrophobicContact CZ3-CD2 3.88Å; W263-F480 HydrophobicContact CZ3-CE2 4.08Å; H441-F480 PolarHBondContact CD2-N 3.34Å; P442-F480 PolarHBondContact O-N 2.86Å; L443-F480 HydrophobicContact CD1-CD1 4.21Å; L443-F480 HydrophobicContact CG-CD1 4.36Å; G444-F480 PolarHBondContact N-O 3.14Å; F480-S482 VanDerWaalsContact C-N 3.31Å; F480-S482 PolarHBondContact O-N 3.15Å; F480-W494 AromaticContact CE1-NE1 3.98Å; F480-W494 HydrophobicContact CE2-CZ2 4.5Å; F480-W494 AromaticContact CZ-CE2 3.87Å; F480-W494 AromaticContact CZ-CZ2 3.84Å; F480-W494 HydrophobicContact CZ-CZ2 3.84Å; F480-W494 AromaticContact CZ-NE1 3.75Å; F480-A498 HydrophobicContact CE2-CB 3.62Å; F480-A498 HydrophobicContact CZ-CB 3.57Å; F480-R499 VanDerWaalsContact CD1-NH2 3.33Å; F480-R499 VanDerWaalsContact CG-NH2 3.34Å
481	P	98.7	Very high	98.2	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.013	11%	0.105	C	C	.	.			trans	-77.6	-10.6	-167.7	29.7	-36.4	0	0	0	114.9	Q257 V258 G445	Q257-P481 HydrophobicContact CG-CB 3.96Å; Q257-P481 HydrophobicContact CG-CG 4.27Å; V258-P481 HydrophobicContact CG2-CG 4.21Å; G445-P481 WeakPolarHBondContact CA-O 3.24Å
482	S	98.8	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-57.7	139.8	-177.2	-175.8	0	0	0	0	112.5	L443 G445 F480 W494	L443-S482 WeakPolarHBondContact CD1-O 3.45Å; L443-S482 WeakPolarHBondContact CD2-O 3.5Å; L443-S482 WeakPolarHBondContact CG-O 3.31Å; G445-S482 VanDerWaalsContact CA-O 3.3Å; G445-S482 WeakPolarHBondContact CA-O 3.22Å; G445-S482 PolarHBondContact N-O 3.23Å; F480-S482 VanDerWaalsContact C-N 3.31Å; F480-S482 PolarHBondContact O-N 3.15Å; S482-W494 PolarHBondContact OG-NE1 3.21Å
483	P	98.8	Very high	98.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-56.4	148.1	158.9	-24.5	36.9	0	0	0	111.6	L251 Q254 W255 Y354 W446 M485	L251-P483 HydrophobicContact CD1-CB 3.56Å; L251-P483 HydrophobicContact CD1-CG 3.53Å; Q254-P483 HydrophobicContact CB-CG 3.88Å; W255-P483 HydrophobicContact CD2-CG 4.1Å; W255-P483 HydrophobicContact CG-CG 4.36Å; W255-P483 HydrophobicContact CZ2-CB 4.21Å; W255-P483 HydrophobicContact CZ2-CG 4.05Å; Y354-P483 HydrophobicContact CE2-CB 3.97Å; W446-P483 HydrophobicContact CB-CB 4.26Å; P483-M485 WeakPolarHBondContact O-CE 3.45Å
484	M	98.6	Very high	98.5	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.01	4%	0.04	C	C	.	.	P	Polyproline II helix	trans	-90.3	121.1	171.9	-173.8	75.8	-160.9	0	0	109.5	Y354 L443 W446 T447 Y486 E491 A514	Y354-M484 VanDerWaalsContact CD2-O 3.27Å; Y354-M484 WeakPolarHBondContact CD2-O 3.03Å; L443-M484 HydrophobicContact CD1-CB 3.96Å; L443-M484 HydrophobicContact CD1-SD 3.8Å; L443-M484 HydrophobicContact CD2-CB 3.81Å; W446-M484 VanDerWaalsContact CE3-O 3.28Å; W446-M484 WeakPolarHBondContact CZ3-O 3.36Å; W446-M484 WeakPolarHBondContact O-CB 3.28Å; W446-M484 PolarHBondContact O-N 3.46Å; T447-M484 HydrophobicContact CG2-CB 4.18Å; M484-Y486 HydrophobicContact CB-CD2 4.46Å; M484-Y486 HydrophobicContact CB-CE2 3.87Å; M484-Y486 HydrophobicContact CE-CD1 4.11Å; M484-Y486 HydrophobicContact CE-CE1 4.4Å; M484-Y486 HydrophobicContact CE-CG 4.45Å; M484-Y486 HydrophobicContact CG-CD1 4.03Å; M484-Y486 HydrophobicContact CG-CD2 3.86Å; M484-Y486 HydrophobicContact CG-CE1 3.73Å; M484-Y486 HydrophobicContact CG-CE2 3.51Å; M484-Y486 HydrophobicContact CG-CG 4.09Å; M484-Y486 VanDerWaalsContact CG-CZ 3.42Å; M484-E491 WeakPolarHBondContact CE-OE2 3.33Å; M484-A514 VanDerWaalsContact CE-CA 3.49Å; M484-A514 HydrophobicContact CE-CB 3.58Å
485	M	98.7	Very high	98.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.038	C	C	.	.			trans	-93.3	-19.3	-177	-68.7	139.4	-81.5	0	0	113.2	W255 V295 W345 H352 Y354 P483 A487 E491	W255-M485 HydrophobicContact CH2-CE 3.84Å; W255-M485 HydrophobicContact CH2-SD 3.93Å; W255-M485 HydrophobicContact CZ2-CE 4.15Å; W255-M485 HydrophobicContact CZ2-SD 3.92Å; V295-M485 HydrophobicContact CB-SD 3.92Å; V295-M485 HydrophobicContact CG1-SD 3.84Å; V295-M485 HydrophobicContact CG2-SD 4.19Å; W345-M485 HydrophobicContact CZ2-CB 4.15Å; W345-M485 HydrophobicContact CZ2-CG 4.46Å; W345-M485 PolarHBondContact NE1-O 3.43Å; H352-M485 PolarHBondContact CE1-O 3.44Å; H352-M485 PolarHBondContact NE2-O 2.87Å; Y354-M485 HydrophobicContact CD1-CG 4.32Å; Y354-M485 HydrophobicContact CD2-CB 4.26Å; Y354-M485 HydrophobicContact CD2-CG 3.97Å; Y354-M485 HydrophobicContact CE1-CG 4.05Å; Y354-M485 HydrophobicContact CE2-CB 4.44Å; Y354-M485 HydrophobicContact CE2-CG 3.66Å; Y354-M485 HydrophobicContact CG-CB 4.37Å; Y354-M485 HydrophobicContact CG-CG 4.27Å; P483-M485 WeakPolarHBondContact O-CE 3.45Å; M485-A487 VanDerWaalsContact C-N 3.25Å; M485-A487 HydrophobicContact CB-CB 4.23Å; M485-A487 PolarHBondContact O-N 3.19Å; M485-E491 HydrophobicContact CE-CG 3.99Å; M485-E491 WeakPolarHBondContact CE-OE1 3.41Å; M485-E491 PolarHBondContact N-OE1 3.25Å
486	Y	98.5	Very high	98.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.034	C	C	.	.			trans	56.6	38.3	-172	-51.3	-92.4	0	0	0	112.7	H352 W446 T447 K448 D451 M484 E491 A514 M516 Y526	H352-Y486 PolarHBondContact NE2-O 2.92Å; W446-Y486 HydrophobicContact CH2-CE2 4.34Å; W446-Y486 HydrophobicContact CZ3-CD2 4.21Å; W446-Y486 AromaticContact CZ3-CE2 3.74Å; W446-Y486 HydrophobicContact CZ3-CE2 3.74Å; T447-Y486 WeakPolarHBondContact CA-OH 3.21Å; T447-Y486 WeakPolarHBondContact CB-OH 3.21Å; K448-Y486 HydrophobicContact CB-CE2 4Å; K448-Y486 HydrophobicContact CD-CD1 4.25Å; K448-Y486 HydrophobicContact CD-CE1 3.71Å; K448-Y486 HydrophobicContact CD-CE2 4.1Å; K448-Y486 HydrophobicContact CG-CE1 4.13Å; K448-Y486 HydrophobicContact CG-CE2 4.09Å; K448-Y486 WeakPolarHBondContact CG-OH 3.31Å; K448-Y486 PolarHBondContact N-OH 2.88Å; D451-Y486 PolarHBondContact OD2-OH 2.85Å; M484-Y486 HydrophobicContact CB-CD2 4.46Å; M484-Y486 HydrophobicContact CB-CE2 3.87Å; M484-Y486 HydrophobicContact CE-CD1 4.11Å; M484-Y486 HydrophobicContact CE-CE1 4.4Å; M484-Y486 HydrophobicContact CE-CG 4.45Å; M484-Y486 HydrophobicContact CG-CD1 4.03Å; M484-Y486 HydrophobicContact CG-CD2 3.86Å; M484-Y486 HydrophobicContact CG-CE1 3.73Å; M484-Y486 HydrophobicContact CG-CE2 3.51Å; M484-Y486 HydrophobicContact CG-CG 4.09Å; M484-Y486 VanDerWaalsContact CG-CZ 3.42Å; Y486-E491 VanDerWaalsContact CA-OE2 3.25Å; Y486-E491 WeakPolarHBondContact CA-OE2 3.29Å; Y486-E491 PolarHBondContact N-OE2 3.48Å; Y486-A514 CarbonylContact C-O 3.54Å; Y486-A514 VanDerWaalsContact CA-O 3.23Å; Y486-A514 WeakPolarHBondContact CA-O 3.27Å; Y486-M516 HydrophobicContact CD1-CB 4.2Å; Y486-M516 HydrophobicContact CD1-CG 4.45Å; Y486-M516 HydrophobicContact CD1-SD 4.16Å; Y486-M516 HydrophobicContact CG-CG 4.44Å; Y486-M516 HydrophobicContact CG-SD 3.86Å; Y486-Y526 WeakPolarHBondContact O-CE2 3.42Å; Y486-Y526 PolarHBondContact O-OH 3.2Å; Y486-Y526 VanDerWaalsContact O-OH 3.08Å
487	A	98.6	Very high	98.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.			trans	-96.9	18.6	-176	0	0	0	0	0	114	W345 M485 T490 E491 Y526	W345-A487 HydrophobicContact CD2-CB 4.48Å; W345-A487 HydrophobicContact CG-CB 4.16Å; M485-A487 VanDerWaalsContact C-N 3.25Å; M485-A487 HydrophobicContact CB-CB 4.23Å; M485-A487 PolarHBondContact O-N 3.19Å; A487-T490 WeakPolarHBondContact O-CB 3.32Å; A487-T490 PolarHBondContact O-N 3.01Å; A487-T490 VanDerWaalsContact O-N 3.09Å; A487-E491 HydrophobicContact CB-CB 3.82Å; A487-E491 PolarHBondContact N-OE2 2.71Å; A487-E491 PolarHBondContact O-N 3.42Å; A487-Y526 VanDerWaalsContact CA-OH 3.25Å; A487-Y526 WeakPolarHBondContact CA-OH 3.45Å
488	G	98.3	Very high	98.4	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	54.8	-128.5	168.5	0	0	0	0	0	114.5	T490 E491 V492 P513 A514 Y526	G488-T490 PolarHBondContact O-N 3.36Å; G488-E491 PolarHBondContact O-N 3.04Å; G488-E491 VanDerWaalsContact O-N 3.14Å; G488-V492 PolarHBondContact O-N 2.83Å; G488-P513 CarbonylContact C-O 3.57Å; G488-P513 WeakPolarHBondContact CA-O 3.49Å; G488-A514 PolarHBondContact N-O 2.65Å; G488-Y526 VanDerWaalsContact CA-CE2 3.48Å
489	P	98.3	Very high	98.4	Very high	19 Å²	19	4.6 Å²	4.6	12%	0.123	3%	0.025	C	C	.	.	H	α-helix	trans	-58.6	-24.5	179.2	-23.7	33.7	0	0	0	115.3	Q493 Y526 H530 V534	P489-Q493 PolarHBondContact O-NE2 3.41Å; P489-Q493 VanDerWaalsContact O-NE2 3.15Å; P489-Y526 HydrophobicContact CG-CD1 4.45Å; P489-H530 HydrophobicContact CB-CB 4.43Å; P489-H530 HydrophobicContact CG-CB 3.61Å; P489-V534 HydrophobicContact CB-CB 4.29Å; P489-V534 HydrophobicContact CB-CG2 4.03Å
490	T	98.8	Very high	98.2	Very high	35 Å²	35	4.9 Å²	4.9	22%	0.215	3%	0.027	C	C	.	.	H	α-helix	trans	-71.4	-50.4	173.7	-54.5	0	0	0	0	110	S294 V295 Q344 A487 G488	S294-T490 VanDerWaalsContact CB-O 3.24Å; S294-T490 WeakPolarHBondContact CB-O 3.25Å; S294-T490 WeakPolarHBondContact O-CG2 3.34Å; S294-T490 PolarHBondContact OG-O 3.45Å; V295-T490 HydrophobicContact CG1-CG2 4.44Å; Q344-T490 HydrophobicContact CG-CG2 4.46Å; Q344-T490 WeakPolarHBondContact O-CB 3.4Å; Q344-T490 PolarHBondContact O-OG1 3.26Å; A487-T490 WeakPolarHBondContact O-CB 3.32Å; A487-T490 PolarHBondContact O-N 3.01Å; A487-T490 VanDerWaalsContact O-N 3.09Å; G488-T490 PolarHBondContact O-N 3.36Å
491	E	98.8	Very high	97.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-75.6	-28.5	-175.8	175.3	176.6	-155	0	0	113.5	M484 M485 Y486 A487 G488 Q493 W494 H495 A514	M484-E491 WeakPolarHBondContact CE-OE2 3.33Å; M485-E491 HydrophobicContact CE-CG 3.99Å; M485-E491 WeakPolarHBondContact CE-OE1 3.41Å; M485-E491 PolarHBondContact N-OE1 3.25Å; Y486-E491 VanDerWaalsContact CA-OE2 3.25Å; Y486-E491 WeakPolarHBondContact CA-OE2 3.29Å; Y486-E491 PolarHBondContact N-OE2 3.48Å; A487-E491 HydrophobicContact CB-CB 3.82Å; A487-E491 PolarHBondContact N-OE2 2.71Å; A487-E491 PolarHBondContact O-N 3.42Å; G488-E491 PolarHBondContact O-N 3.04Å; G488-E491 VanDerWaalsContact O-N 3.14Å; E491-Q493 PolarHBondContact O-N 2.71Å; E491-W494 WeakPolarHBondContact O-CB 3.47Å; E491-W494 PolarHBondContact O-N 3.37Å; E491-W494 VanDerWaalsContact O-N 3.08Å; E491-H495 VanDerWaalsContact CG-CE1 3.45Å; E491-H495 WeakPolarHBondContact CG-CE1 3.38Å; E491-H495 PolarHBondContact O-N 2.82Å; E491-H495 IonicContact OE1-CE1 2.89Å; E491-H495 IonicContact OE1-NE2 3.55Å; E491-H495 PolarHBondContact OE1-NE2 2.88Å; E491-A514 HydrophobicContact CB-CB 4.04Å; E491-A514 HydrophobicContact CG-CB 4.01Å; E491-A514 WeakPolarHBondContact OE2-CB 3.3Å
492	V	98.4	Very high	97.7	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.1	-28.9	178.3	77.2	0	0	0	0	112.3	G488 H495 C496 Y507 V509 P513 L535	G488-V492 PolarHBondContact O-N 2.83Å; V492-H495 PolarHBondContact O-N 3.3Å; V492-C496 WeakPolarHBondContact O-CB 3.43Å; V492-C496 PolarHBondContact O-N 3.38Å; V492-Y507 HydrophobicContact CG2-CE1 4.24Å; V492-V509 HydrophobicContact CG2-CG2 4.07Å; V492-P513 HydrophobicContact CB-CB 4.16Å; V492-P513 HydrophobicContact CB-CG 4.06Å; V492-P513 HydrophobicContact CG1-CG 4.29Å; V492-P513 HydrophobicContact CG2-CB 3.58Å; V492-P513 HydrophobicContact CG2-CG 3.76Å; V492-L535 HydrophobicContact CG1-CD1 4.2Å; V492-L535 HydrophobicContact CG1-CD2 4.15Å; V492-L535 HydrophobicContact CG1-CG 3.89Å; V492-L535 HydrophobicContact CG2-CD1 3.86Å; V492-L535 HydrophobicContact CG2-CG 4.45Å
493	Q	98.5	Very high	97.4	Very high	23 Å²	23	5.8 Å²	5.8	11%	0.107	4%	0.036	C	C	.	.	H	α-helix	trans	-62.1	-48.4	170.7	-71.5	174.9	76.4	0	0	111	N292 S294 P489 E491 H495 C496 R497 V534 L535 A538	N292-Q493 PolarHBondContact ND2-OE1 3.06Å; S294-Q493 WeakPolarHBondContact OG-CB 3.41Å; P489-Q493 PolarHBondContact O-NE2 3.41Å; P489-Q493 VanDerWaalsContact O-NE2 3.15Å; E491-Q493 PolarHBondContact O-N 2.71Å; Q493-H495 VanDerWaalsContact C-N 3.34Å; Q493-H495 PolarHBondContact O-N 3.17Å; Q493-C496 WeakPolarHBondContact O-CB 3.24Å; Q493-C496 PolarHBondContact O-N 3.21Å; Q493-C496 VanDerWaalsContact O-N 3.12Å; Q493-R497 WeakPolarHBondContact O-CB 3.43Å; Q493-R497 PolarHBondContact O-N 2.95Å; Q493-V534 HydrophobicContact CG-CG1 4.1Å; Q493-V534 VanDerWaalsContact NE2-CG1 3.32Å; Q493-L535 HydrophobicContact CB-CD2 4.4Å; Q493-L535 HydrophobicContact CG-CD2 3.97Å; Q493-A538 HydrophobicContact CG-CB 4.13Å
494	W	98.7	Very high	97.2	Very high	1 Å²	1	5.9 Å²	5.9	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-56.1	-46.9	172.9	165.7	-118.1	0	0	0	112.2	W255 V258 W263 A264 M293 S294 V295 I297 F480 S482 E491 C496 R497 A498	W255-W494 HydrophobicContact CZ3-CZ2 4.16Å; V258-W494 HydrophobicContact CG1-CH2 3.64Å; V258-W494 HydrophobicContact CG1-CZ2 3.56Å; W263-W494 HydrophobicContact CB-CH2 4.08Å; A264-W494 HydrophobicContact CB-CH2 3.94Å; A264-W494 HydrophobicContact CB-CZ3 4.09Å; M293-W494 HydrophobicContact SD-CE3 4.26Å; M293-W494 HydrophobicContact SD-CZ3 4.06Å; S294-W494 PolarHBondContact OG-N 3.15Å; V295-W494 HydrophobicContact CG1-CB 3.92Å; V295-W494 HydrophobicContact CG1-CG 4.41Å; V295-W494 HydrophobicContact CG2-CB 3.79Å; V295-W494 HydrophobicContact CG2-CD2 3.79Å; V295-W494 HydrophobicContact CG2-CE3 4.23Å; V295-W494 HydrophobicContact CG2-CG 3.57Å; I297-W494 HydrophobicContact CD1-CH2 4Å; I297-W494 HydrophobicContact CD1-CZ3 4.16Å; F480-W494 AromaticContact CE1-NE1 3.98Å; F480-W494 HydrophobicContact CE2-CZ2 4.5Å; F480-W494 AromaticContact CZ-CE2 3.87Å; F480-W494 AromaticContact CZ-CZ2 3.84Å; F480-W494 HydrophobicContact CZ-CZ2 3.84Å; F480-W494 AromaticContact CZ-NE1 3.75Å; S482-W494 PolarHBondContact OG-NE1 3.21Å; E491-W494 WeakPolarHBondContact O-CB 3.47Å; E491-W494 PolarHBondContact O-N 3.37Å; E491-W494 VanDerWaalsContact O-N 3.08Å; W494-C496 VanDerWaalsContact C-N 3.3Å; W494-C496 PolarHBondContact O-N 2.87Å; W494-R497 PolarHBondContact O-N 3.24Å; W494-A498 VanDerWaalsContact O-CB 3.3Å; W494-A498 WeakPolarHBondContact O-CB 3.42Å; W494-A498 PolarHBondContact O-N 3.18Å
495	H	98.6	Very high	96.9	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.019	5%	0.05	C	C	.	.	H	α-helix	trans	-58.1	-42.5	175.8	-68.1	155.1	0	0	0	112.6	Q408 E491 V492 Q493 R499 Y507	Q408-H495 HydrophobicContact CG-CB 4.13Å; Q408-H495 PolarHBondContact NE2-CE1 3.47Å; Q408-H495 PolarHBondContact NE2-NE2 3.41Å; Q408-H495 VanDerWaalsContact NE2-NE2 3.17Å; E491-H495 VanDerWaalsContact CG-CE1 3.45Å; E491-H495 WeakPolarHBondContact CG-CE1 3.38Å; E491-H495 PolarHBondContact O-N 2.82Å; E491-H495 IonicContact OE1-CE1 2.89Å; E491-H495 IonicContact OE1-NE2 3.55Å; E491-H495 PolarHBondContact OE1-NE2 2.88Å; V492-H495 PolarHBondContact O-N 3.3Å; Q493-H495 VanDerWaalsContact C-N 3.34Å; Q493-H495 PolarHBondContact O-N 3.17Å; H495-R499 WeakPolarHBondContact O-CD 3.18Å; H495-R499 PolarHBondContact O-NH1 3.05Å; H495-R499 VanDerWaalsContact O-NH1 3.13Å; H495-Y507 VanDerWaalsContact CB-OH 3.24Å; H495-Y507 WeakPolarHBondContact CB-OH 3.27Å
496	C	98.2	Very high	96.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.2	-52	179.6	-174.2	0	0	0	0	111.2	V492 Q493 W494 A498 R499 M500 Y507 L535 L541 I546	V492-C496 WeakPolarHBondContact O-CB 3.43Å; V492-C496 PolarHBondContact O-N 3.38Å; Q493-C496 WeakPolarHBondContact O-CB 3.24Å; Q493-C496 PolarHBondContact O-N 3.21Å; Q493-C496 VanDerWaalsContact O-N 3.12Å; W494-C496 VanDerWaalsContact C-N 3.3Å; W494-C496 PolarHBondContact O-N 2.87Å; C496-A498 VanDerWaalsContact C-N 3.33Å; C496-A498 PolarHBondContact O-N 3.46Å; C496-R499 PolarHBondContact O-N 3.29Å; C496-M500 PolarHBondContact O-N 2.99Å; C496-Y507 HydrophobicContact CB-CD1 3.96Å; C496-Y507 HydrophobicContact CB-CD2 4.19Å; C496-Y507 HydrophobicContact CB-CE1 3.97Å; C496-Y507 HydrophobicContact CB-CE2 4.22Å; C496-Y507 HydrophobicContact CB-CG 4.07Å; C496-L535 HydrophobicContact CB-CD2 3.65Å; C496-L541 HydrophobicContact CB-CD1 4.31Å; C496-I546 VanDerWaalsContact SG-CD1 3.59Å
497	R	96.1	Very high	96.7	Very high	9 Å²	9	8.7 Å²	8.7	3%	0.034	5%	0.052	C	C	.	.	H	α-helix	trans	-54.8	-46.4	178.9	174.1	59.2	-177.5	142.1	-5.8	112.2	E221 S265 N292 Q493 W494 R499 M500 I501 L541	E221-R497 IonicContact OE1-NH1 3.28Å; E221-R497 PolarHBondContact OE1-NH1 3.03Å; E221-R497 IonicContact OE2-CZ 2.7Å; E221-R497 IonicContact OE2-NH1 2.91Å; E221-R497 PolarHBondContact OE2-NH1 2.74Å; S265-R497 PolarHBondContact O-NH2 3.48Å; N292-R497 WeakPolarHBondContact O-CG 3.49Å; Q493-R497 WeakPolarHBondContact O-CB 3.43Å; Q493-R497 PolarHBondContact O-N 2.95Å; W494-R497 PolarHBondContact O-N 3.24Å; R497-R499 PolarHBondContact O-N 2.87Å; R497-M500 WeakPolarHBondContact O-CB 3.49Å; R497-M500 PolarHBondContact O-N 3.33Å; R497-M500 VanDerWaalsContact O-N 3.16Å; R497-I501 VanDerWaalsContact CZ-CG1 3.42Å; R497-I501 VanDerWaalsContact NH1-CG1 3.32Å; R497-I501 PolarHBondContact O-N 3.25Å; R497-L541 HydrophobicContact CB-CD2 3.92Å
498	A	97.6	Very high	96.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.3	-34	179.1	0	0	0	0	0	112.5	W263 F480 W494 C496 A502	W263-A498 HydrophobicContact CE3-CB 3.94Å; W263-A498 WeakPolarHBondContact CZ3-O 3.33Å; F480-A498 HydrophobicContact CE2-CB 3.62Å; F480-A498 HydrophobicContact CZ-CB 3.57Å; W494-A498 VanDerWaalsContact O-CB 3.3Å; W494-A498 WeakPolarHBondContact O-CB 3.42Å; W494-A498 PolarHBondContact O-N 3.18Å; C496-A498 VanDerWaalsContact C-N 3.33Å; C496-A498 PolarHBondContact O-N 3.46Å; A498-A502 PolarHBondContact O-N 3.41Å
499	R	97.9	Very high	96.4	Very high	1 Å²	1	9.1 Å²	9.1	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-83.5	-31.9	178.1	-81.4	78.1	-178.3	-150.9	-6.8	112.3	A406 L439 H441 F480 H495 C496 R497 I501 A502 G503 A504 Y507	A406-R499 HydrophobicContact CB-CB 3.89Å; A406-R499 HydrophobicContact CB-CG 3.82Å; L439-R499 HydrophobicContact CD2-CG 4.13Å; H441-R499 PolarHBondContact ND1-NE 3.41Å; H441-R499 PolarHBondContact O-NH2 2.71Å; H441-R499 VanDerWaalsContact O-NH2 3.1Å; F480-R499 VanDerWaalsContact CD1-NH2 3.33Å; F480-R499 VanDerWaalsContact CG-NH2 3.34Å; H495-R499 WeakPolarHBondContact O-CD 3.18Å; H495-R499 PolarHBondContact O-NH1 3.05Å; H495-R499 VanDerWaalsContact O-NH1 3.13Å; C496-R499 PolarHBondContact O-N 3.29Å; R497-R499 PolarHBondContact O-N 2.87Å; R499-I501 VanDerWaalsContact C-N 3.3Å; R499-A502 CarbonylContact O-C 3.56Å; R499-A502 PolarHBondContact O-N 3.09Å; R499-A502 VanDerWaalsContact O-N 3.13Å; R499-G503 PolarHBondContact O-N 2.53Å; R499-G503 VanDerWaalsContact O-N 3.13Å; R499-A504 HydrophobicContact CB-CB 3.96Å; R499-A504 VanDerWaalsContact O-CB 3.25Å; R499-A504 WeakPolarHBondContact O-CB 3.35Å; R499-A504 PolarHBondContact O-N 2.82Å; R499-Y507 HydrophobicContact CB-CD2 4.47Å
500	M	94	Very high	95.8	Very high	7 Å²	7	9.3 Å²	9.3	3%	0.034	6%	0.059	C	C	.	.	H	α-helix	trans	-57.3	-46.8	168.2	-168.6	171.8	78.2	0	0	110.3	E221 C496 R497 A502 G503 G540 L541 V544	E221-M500 WeakPolarHBondContact OE1-CE 3.36Å; C496-M500 PolarHBondContact O-N 2.99Å; R497-M500 WeakPolarHBondContact O-CB 3.49Å; R497-M500 PolarHBondContact O-N 3.33Å; R497-M500 VanDerWaalsContact O-N 3.16Å; M500-A502 VanDerWaalsContact C-N 3.29Å; M500-A502 PolarHBondContact O-N 2.83Å; M500-G503 WeakPolarHBondContact O-CA 3.21Å; M500-G503 PolarHBondContact O-N 2.75Å; M500-G540 VanDerWaalsContact CE-O 3.32Å; M500-G540 WeakPolarHBondContact CE-O 3.36Å; M500-L541 HydrophobicContact CE-CD2 4.22Å; M500-L541 HydrophobicContact SD-CD2 4.49Å; M500-V544 HydrophobicContact CB-CB 4.25Å; M500-V544 HydrophobicContact CB-CG1 4.32Å; M500-V544 HydrophobicContact CG-CB 3.98Å; M500-V544 HydrophobicContact CG-CG1 4.2Å; M500-V544 HydrophobicContact SD-CB 3.85Å; M500-V544 HydrophobicContact SD-CG1 3.55Å; M500-V544 VanDerWaalsContact SD-CG1 3.55Å
501	I	92.6	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.1	-41.4	172.2	-79.5	-59.9	0	0	0	112.4	E221 V223 P389 K393 R497 R499 G503	E221-I501 HydrophobicContact CB-CD1 4.36Å; V223-I501 HydrophobicContact CG2-CG2 4.27Å; P389-I501 HydrophobicContact CB-CG2 3.96Å; P389-I501 HydrophobicContact CG-CG2 4.13Å; K393-I501 WeakPolarHBondContact CE-O 3.36Å; K393-I501 PolarHBondContact NZ-O 3.5Å; K393-I501 VanDerWaalsContact NZ-O 3.12Å; R497-I501 VanDerWaalsContact CZ-CG1 3.42Å; R497-I501 VanDerWaalsContact NH1-CG1 3.32Å; R497-I501 PolarHBondContact O-N 3.25Å; R499-I501 VanDerWaalsContact C-N 3.3Å; I501-G503 PolarHBondContact O-N 2.93Å
502	A	95	Very high	94.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.6	176.8	0	0	0	0	0	114.2	W263 P389 L392 K393 F396 A498 R499 M500	W263-A502 HydrophobicContact CH2-CB 4.23Å; W263-A502 HydrophobicContact CZ3-CB 3.81Å; P389-A502 HydrophobicContact CB-CB 4.23Å; L392-A502 HydrophobicContact CB-CB 4.49Å; L392-A502 HydrophobicContact CD1-CB 3.86Å; K393-A502 WeakPolarHBondContact CG-O 3.44Å; F396-A502 WeakPolarHBondContact CE2-O 3.13Å; A498-A502 PolarHBondContact O-N 3.41Å; R499-A502 CarbonylContact O-C 3.56Å; R499-A502 PolarHBondContact O-N 3.09Å; R499-A502 VanDerWaalsContact O-N 3.13Å; M500-A502 VanDerWaalsContact C-N 3.29Å; M500-A502 PolarHBondContact O-N 2.83Å
503	G	92.1	Very high	94.7	Very high	21 Å²	21	17.2 Å²	17.2	22%	0.216	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	12.6	175.8	0	0	0	0	0	115.4	R499 M500 I501 N505	R499-G503 PolarHBondContact O-N 2.53Å; R499-G503 VanDerWaalsContact O-N 3.13Å; M500-G503 WeakPolarHBondContact O-CA 3.21Å; M500-G503 PolarHBondContact O-N 2.75Å; I501-G503 PolarHBondContact O-N 2.93Å; G503-N505 PolarHBondContact O-N 2.78Å
504	A	95.1	Very high	94.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.008	9%	0.087	C	C	.	.			trans	-69.8	128	173.9	0	0	0	0	0	111.4	I404 A406 R499	I404-A504 HydrophobicContact CG2-CB 4.18Å; A406-A504 HydrophobicContact CB-CB 3.87Å; R499-A504 HydrophobicContact CB-CB 3.96Å; R499-A504 VanDerWaalsContact O-CB 3.25Å; R499-A504 WeakPolarHBondContact O-CB 3.35Å; R499-A504 PolarHBondContact O-N 2.82Å
505	N	92.2	Very high	94.4	Very high	53 Å²	53	16.4 Å²	16.4	28%	0.283	9%	0.087	S	C	.	.	S	Bend	trans	-89.4	-23.9	174.2	-44.8	109.6	0	0	0	111.9	I404 G503 V544 E545	I404-N505 WeakPolarHBondContact CD1-OD1 3.4Å; I404-N505 PolarHBondContact N-OD1 3.33Å; I404-N505 PolarHBondContact O-N 3.21Å; G503-N505 PolarHBondContact O-N 2.78Å; N505-V544 CarbonylContact O-C 3.58Å; N505-V544 WeakPolarHBondContact O-CA 3.41Å; N505-E545 PolarHBondContact O-N 2.67Å
506	F	96.1	Very high	94.2	Very high	4 Å²	4	17 Å²	17	2%	0.018	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.6	-178.8	-54.9	-84.9	0	0	0	110.3	A403 I404 F405 A406 L428 Y433 E545 I547	A403-F506 HydrophobicContact CB-CD2 4.31Å; A403-F506 HydrophobicContact CB-CE2 3.78Å; I404-F506 PolarHBondContact O-N 2.88Å; F405-F506 CarbonylContact C-O 3.51Å; F405-F506 VanDerWaalsContact CA-O 3.32Å; F405-F506 WeakPolarHBondContact CA-O 3.44Å; F405-F506 HydrophobicContact CB-CB 3.73Å; F405-F506 HydrophobicContact CB-CD2 4.48Å; F405-F506 HydrophobicContact CB-CG 4.5Å; A406-F506 PolarHBondContact N-O 3.17Å; L428-F506 HydrophobicContact CD1-CD2 3.93Å; L428-F506 HydrophobicContact CD1-CE2 4.23Å; L428-F506 HydrophobicContact CD1-CG 4.41Å; L428-F506 HydrophobicContact CD2-CD1 3.95Å; L428-F506 HydrophobicContact CD2-CD2 3.76Å; L428-F506 HydrophobicContact CD2-CE1 3.64Å; L428-F506 HydrophobicContact CD2-CE2 3.43Å; L428-F506 VanDerWaalsContact CD2-CE2 3.43Å; L428-F506 HydrophobicContact CD2-CG 4.03Å; L428-F506 HydrophobicContact CD2-CZ 3.37Å; L428-F506 HydrophobicContact CG-CE2 4.48Å; Y433-F506 HydrophobicContact CE2-CE2 4.22Å; Y433-F506 AromaticContact CE2-CZ 3.8Å; Y433-F506 HydrophobicContact CE2-CZ 3.8Å; Y433-F506 AromaticContact CZ-CZ 3.85Å; F506-E545 CarbonylContact C-O 3.26Å; F506-E545 VanDerWaalsContact CA-O 3.31Å; F506-E545 WeakPolarHBondContact CA-O 3.43Å; F506-E545 HydrophobicContact CD1-CB 3.73Å; F506-E545 HydrophobicContact CD1-CG 4.29Å; F506-E545 HydrophobicContact CE1-CB 3.94Å; F506-E545 HydrophobicContact CE1-CG 4.4Å; F506-E545 WeakPolarHBondContact CE1-OE2 3.16Å; F506-I547 HydrophobicContact CB-CG1 4.12Å; F506-I547 HydrophobicContact CD1-CD1 4.06Å; F506-I547 HydrophobicContact CD1-CG1 4.33Å
507	Y	97.6	Very high	94.1	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.02	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115.3	177.8	-175.1	-95.6	0	0	0	110.8	A406 Q408 V492 H495 C496 R499 V509 L535 E545 I546 I547	A406-Y507 HydrophobicContact CB-CD2 4.27Å; Q408-Y507 HydrophobicContact CB-CE2 4.23Å; Q408-Y507 WeakPolarHBondContact CB-OH 3.4Å; V492-Y507 HydrophobicContact CG2-CE1 4.24Å; H495-Y507 VanDerWaalsContact CB-OH 3.24Å; H495-Y507 WeakPolarHBondContact CB-OH 3.27Å; C496-Y507 HydrophobicContact CB-CD1 3.96Å; C496-Y507 HydrophobicContact CB-CD2 4.19Å; C496-Y507 HydrophobicContact CB-CE1 3.97Å; C496-Y507 HydrophobicContact CB-CE2 4.22Å; C496-Y507 HydrophobicContact CB-CG 4.07Å; R499-Y507 HydrophobicContact CB-CD2 4.47Å; Y507-V509 HydrophobicContact CD1-CB 4.23Å; Y507-V509 HydrophobicContact CE1-CB 4.09Å; Y507-V509 PolarHBondContact O-N 3.18Å; Y507-L535 HydrophobicContact CD1-CD1 3.94Å; Y507-L535 HydrophobicContact CE1-CD1 3.81Å; Y507-E545 PolarHBondContact N-O 2.83Å; Y507-I546 HydrophobicContact CD1-CD1 4.45Å; Y507-I547 PolarHBondContact O-N 2.97Å
508	I	96.1	Very high	94.2	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.2	176.5	-58.7	170	0	0	0	108.4	F405 A406 F407 M421 T424 I547	F405-I508 HydrophobicContact CD2-CD1 3.9Å; F405-I508 HydrophobicContact CE2-CD1 4.5Å; A406-I508 PolarHBondContact O-N 3.33Å; F407-I508 HydrophobicContact CD2-CB 3.9Å; F407-I508 HydrophobicContact CD2-CD1 4.12Å; F407-I508 HydrophobicContact CD2-CG2 3.76Å; F407-I508 HydrophobicContact CE2-CG2 3.93Å; M421-I508 HydrophobicContact CG-CD1 4.18Å; T424-I508 HydrophobicContact CG2-CD1 4.1Å; T424-I508 HydrophobicContact CG2-CG1 4.19Å; T424-I508 WeakPolarHBondContact OG1-CD1 3.42Å; I508-I547 HydrophobicContact CG1-CB 4.34Å
509	V	93.6	Very high	94.1	Very high	3 Å²	3	22 Å²	22	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.7	176.8	61.4	0	0	0	0	111.1	V492 Y507 P513 L535 I546 I547 F549	V492-V509 HydrophobicContact CG2-CG2 4.07Å; Y507-V509 HydrophobicContact CD1-CB 4.23Å; Y507-V509 HydrophobicContact CE1-CB 4.09Å; Y507-V509 PolarHBondContact O-N 3.18Å; V509-P513 HydrophobicContact CG2-CB 3.95Å; V509-P513 HydrophobicContact CG2-CG 3.71Å; V509-L535 HydrophobicContact CB-CD1 3.77Å; V509-L535 HydrophobicContact CG1-CD1 4.12Å; V509-L535 HydrophobicContact CG2-CD1 3.69Å; V509-I546 HydrophobicContact CB-CG2 4.49Å; V509-I546 HydrophobicContact CG1-CG2 3.51Å; V509-I547 PolarHBondContact N-O 3.07Å; V509-F549 WeakPolarHBondContact O-CA 3.35Å; V509-F549 VanDerWaalsContact O-CB 3.22Å; V509-F549 WeakPolarHBondContact O-CB 3.3Å; V509-F549 PolarHBondContact O-N 2.78Å
510	G	86.1	Confident	93.9	Very high	23 Å²	23	26 Å²	26	24%	0.237	15%	0.145	C	C	.	.			trans	-84.3	-178.5	-179.4	0	0	0	0	0	116.5	P513 F549	G510-P513 WeakPolarHBondContact O-CD 3.5Å; G510-F549 VanDerWaalsContact CA-CD2 3.4Å
511	R	86.3	Confident	94	Very high	153 Å²	153	29.6 Å²	29.6	58%	0.577	17%	0.168	S	C	*	.	S	Bend	trans	-70.9	138	159.6	178.9	178.9	179.5	-99.2	-3.4	109.3	D524 P528	R511-D524 IonicContact NH2-OD2 3.95Å; R511-P528 HydrophobicContact CG-CB 3.45Å; R511-P528 VanDerWaalsContact CG-CB 3.45Å; R511-P528 VanDerWaalsContact NH2-CG 3.27Å
512	D	91.3	Very high	94.1	Very high	28 Å²	28	36.9 Å²	36.9	15%	0.15	20%	0.199	C	C	.	.	S	Bend	trans	46.9	51.1	179.5	-169	36.9	0	0	0	113.5	A514 G515 P528	D512-A514 PolarHBondContact O-N 2.89Å; D512-G515 PolarHBondContact O-N 2.78Å; D512-G515 VanDerWaalsContact O-N 3.13Å; D512-G515 WeakPolarHBondContact OD1-CA 3.28Å; D512-P528 HydrophobicContact CB-CB 4.1Å; D512-P528 PolarHBondContact N-O 3.29Å
513	P	94.3	Very high	94	Very high	19 Å²	19	43.7 Å²	43.7	12%	0.123	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	135.4	-176.3	32.9	-35.9	0	0	0	109.2	G488 V492 V509 G510 G515	G488-P513 CarbonylContact C-O 3.57Å; G488-P513 WeakPolarHBondContact CA-O 3.49Å; V492-P513 HydrophobicContact CB-CB 4.16Å; V492-P513 HydrophobicContact CB-CG 4.06Å; V492-P513 HydrophobicContact CG1-CG 4.29Å; V492-P513 HydrophobicContact CG2-CB 3.58Å; V492-P513 HydrophobicContact CG2-CG 3.76Å; V509-P513 HydrophobicContact CG2-CB 3.95Å; V509-P513 HydrophobicContact CG2-CG 3.71Å; G510-P513 WeakPolarHBondContact O-CD 3.5Å; P513-G515 PolarHBondContact O-N 2.79Å; P513-G515 VanDerWaalsContact O-N 3.08Å
514	A	96.4	Very high	94.1	Very high	7 Å²	7	46.2 Å²	46.2	6%	0.058	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	14	-174.4	0	0	0	0	0	115.8	M484 Y486 G488 E491 D512	M484-A514 VanDerWaalsContact CE-CA 3.49Å; M484-A514 HydrophobicContact CE-CB 3.58Å; Y486-A514 CarbonylContact C-O 3.54Å; Y486-A514 VanDerWaalsContact CA-O 3.23Å; Y486-A514 WeakPolarHBondContact CA-O 3.27Å; G488-A514 PolarHBondContact N-O 2.65Å; E491-A514 HydrophobicContact CB-CB 4.04Å; E491-A514 HydrophobicContact CG-CB 4.01Å; E491-A514 WeakPolarHBondContact OE2-CB 3.3Å; D512-A514 PolarHBondContact O-N 2.89Å
515	G	95.8	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.			trans	-83.9	163.7	175.2	0	0	0	0	0	114	R410 D512 P513	R410-G515 PolarHBondContact NH2-O 3.36Å; D512-G515 PolarHBondContact O-N 2.78Å; D512-G515 VanDerWaalsContact O-N 3.13Å; D512-G515 WeakPolarHBondContact OD1-CA 3.28Å; P513-G515 PolarHBondContact O-N 2.79Å; P513-G515 VanDerWaalsContact O-N 3.08Å
516	M	95	Very high	94.5	Very high	16 Å²	16	46.7 Å²	46.7	8%	0.079	24%	0.239	C	C	.	.			trans	-148.5	161.9	167.5	65.4	174.8	-80.3	0	0	110	P353 K448 Y486 P519 M525	P353-M516 HydrophobicContact CG-CE 4.41Å; P353-M516 HydrophobicContact CG-SD 4.23Å; K448-M516 HydrophobicContact CD-CE 4.45Å; K448-M516 HydrophobicContact CD-SD 4.35Å; Y486-M516 HydrophobicContact CD1-CB 4.2Å; Y486-M516 HydrophobicContact CD1-CG 4.45Å; Y486-M516 HydrophobicContact CD1-SD 4.16Å; Y486-M516 HydrophobicContact CG-CG 4.44Å; Y486-M516 HydrophobicContact CG-SD 3.86Å; M516-P519 HydrophobicContact CE-CG 4.36Å; M516-M525 HydrophobicContact CG-SD 3.76Å; M516-M525 WeakPolarHBondContact O-CB 3.15Å; M516-M525 VanDerWaalsContact O-CG 3.24Å; M516-M525 WeakPolarHBondContact O-CG 3.16Å; M516-M525 PolarHBondContact O-N 3.22Å; M516-M525 VanDerWaalsContact O-N 3.09Å
517	P	95.7	Very high	94.5	Very high	62 Å²	62	50.3 Å²	50.3	40%	0.403	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-63.5	142.6	169.4	-21.7	33.9	0	0	0	111.5	Q523	P517-Q523 CarbonylContact C-O 3.57Å; P517-Q523 WeakPolarHBondContact CA-O 3.48Å
518	H	96.8	Very high	94.2	Very high	37 Å²	37	51 Å²	51	17%	0.171	26%	0.261	C	S	.	.			trans	-60.9	127.8	175.9	-173.7	-70.7	0	0	0	109.3	V520 T521 K522 Q523 M525	H518-V520 VanDerWaalsContact C-N 3.25Å; H518-V520 PolarHBondContact ND1-N 2.71Å; H518-V520 VanDerWaalsContact ND1-N 3.14Å; H518-V520 PolarHBondContact O-N 3.28Å; H518-V520 VanDerWaalsContact O-N 3.12Å; H518-T521 WeakPolarHBondContact CB-OG1 3.38Å; H518-T521 PolarHBondContact ND1-N 3.38Å; H518-K522 VanDerWaalsContact O-CA 3.28Å; H518-K522 WeakPolarHBondContact O-CA 3.29Å; H518-K522 PolarHBondContact O-N 3.49Å; H518-Q523 WeakPolarHBondContact CB-O 3.39Å; H518-Q523 PolarHBondContact N-O 3.47Å; H518-M525 VanDerWaalsContact CA-CG 3.43Å; H518-M525 HydrophobicContact CB-CG 3.74Å
519	P	95.4	Very high	94.1	Very high	16 Å²	16	53.6 Å²	53.6	10%	0.104	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.2	-172.6	-28.1	33.4	0	0	0	114.4	Q351 H352 M516 K522	Q351-P519 HydrophobicContact CB-CB 3.58Å; Q351-P519 HydrophobicContact CB-CG 4.23Å; H352-P519 HydrophobicContact CB-CG 4.14Å; M516-P519 HydrophobicContact CE-CG 4.36Å; P519-K522 VanDerWaalsContact O-CE 3.32Å; P519-K522 WeakPolarHBondContact O-CE 3.43Å; P519-K522 PolarHBondContact O-NZ 2.91Å
520	V	95.3	Very high	94.2	Very high	86 Å²	86	57.6 Å²	57.6	52%	0.521	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-63.7	179	-175.1	0	0	0	0	112.7	H518 K522	H518-V520 VanDerWaalsContact C-N 3.25Å; H518-V520 PolarHBondContact ND1-N 2.71Å; H518-V520 VanDerWaalsContact ND1-N 3.14Å; H518-V520 PolarHBondContact O-N 3.28Å; H518-V520 VanDerWaalsContact O-N 3.12Å; V520-K522 VanDerWaalsContact C-N 3.31Å; V520-K522 PolarHBondContact O-N 3.37Å
521	T	95.9	Very high	94.6	Very high	82 Å²	82	56.6 Å²	56.6	50%	0.503	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.1	-172.3	67.2	0	0	0	0	114.6	H518 Q523	H518-T521 WeakPolarHBondContact CB-OG1 3.38Å; H518-T521 PolarHBondContact ND1-N 3.38Å; T521-Q523 PolarHBondContact O-N 3.24Å
522	K	93.4	Very high	95	Very high	153 Å²	153	50 Å²	50	67%	0.665	27%	0.265	S	S	*	.			trans	62.1	3.8	-176.3	-48.2	-55.6	-174.4	-174.3	0	115.6	H518 P519 V520	H518-K522 VanDerWaalsContact O-CA 3.28Å; H518-K522 WeakPolarHBondContact O-CA 3.29Å; H518-K522 PolarHBondContact O-N 3.49Å; P519-K522 VanDerWaalsContact O-CE 3.32Å; P519-K522 WeakPolarHBondContact O-CE 3.43Å; P519-K522 PolarHBondContact O-NZ 2.91Å; V520-K522 VanDerWaalsContact C-N 3.31Å; V520-K522 PolarHBondContact O-N 3.37Å
523	Q	94.3	Very high	95.1	Very high	142 Å²	142	54.3 Å²	54.3	66%	0.664	28%	0.282	S	S	*	.	S	Bend	trans	-77	157.6	170.7	-64.1	-177.5	-3.7	0	0	110.5	P517 H518 T521 M525	P517-Q523 CarbonylContact C-O 3.57Å; P517-Q523 WeakPolarHBondContact CA-O 3.48Å; H518-Q523 WeakPolarHBondContact CB-O 3.39Å; H518-Q523 PolarHBondContact N-O 3.47Å; T521-Q523 PolarHBondContact O-N 3.24Å; Q523-M525 PolarHBondContact O-N 3.23Å
524	D	94.8	Very high	95.2	Very high	75 Å²	75	55 Å²	55	40%	0.401	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-56.5	130.8	173.8	-66	-20.3	0	0	0	109.7	R511 Y526	R511-D524 IonicContact NH2-OD2 3.95Å; D524-Y526 PolarHBondContact O-N 3.01Å
525	M	97.2	Very high	95.1	Very high	34 Å²	34	54.8 Å²	54.8	17%	0.167	28%	0.284	C	S	.	.	S	Bend	trans	-67	-28.7	-178.9	-77.2	-177.1	56.2	0	0	113.1	T347 M516 H518 Q523	T347-M525 HydrophobicContact CG2-CE 3.38Å; M516-M525 HydrophobicContact CG-SD 3.76Å; M516-M525 WeakPolarHBondContact O-CB 3.15Å; M516-M525 VanDerWaalsContact O-CG 3.24Å; M516-M525 WeakPolarHBondContact O-CG 3.16Å; M516-M525 PolarHBondContact O-N 3.22Å; M516-M525 VanDerWaalsContact O-N 3.09Å; H518-M525 VanDerWaalsContact CA-CG 3.43Å; H518-M525 HydrophobicContact CB-CG 3.74Å; Q523-M525 PolarHBondContact O-N 3.23Å
526	Y	97.7	Very high	94.9	Very high	29 Å²	29	59.4 Å²	59.4	11%	0.114	31%	0.312	C	S	.	.	S	Bend	trans	-125.3	150.4	-176.6	-49.9	-75.4	0	0	0	109.2	W345 Y486 A487 G488 P489 D524 P528	W345-Y526 WeakPolarHBondContact O-CE1 3.43Å; W345-Y526 PolarHBondContact O-OH 3.41Å; Y486-Y526 WeakPolarHBondContact O-CE2 3.42Å; Y486-Y526 PolarHBondContact O-OH 3.2Å; Y486-Y526 VanDerWaalsContact O-OH 3.08Å; A487-Y526 VanDerWaalsContact CA-OH 3.25Å; A487-Y526 WeakPolarHBondContact CA-OH 3.45Å; G488-Y526 VanDerWaalsContact CA-CE2 3.48Å; P489-Y526 HydrophobicContact CG-CD1 4.45Å; D524-Y526 PolarHBondContact O-N 3.01Å; Y526-P528 WeakPolarHBondContact O-CD 3.49Å
527	E	96.2	Very high	94.8	Very high	81 Å²	81	65.3 Å²	65.3	38%	0.379	34%	0.341	S	S	.	.			trans	-66.1	127.1	170.8	-163.5	-69.2	141.3	0	0	108.6	T529 H530	E527-T529 PolarHBondContact O-N 3.41Å; E527-T529 VanDerWaalsContact OE2-CA 3.28Å; E527-T529 WeakPolarHBondContact OE2-CA 3.37Å; E527-T529 VanDerWaalsContact OE2-CB 3.27Å; E527-T529 WeakPolarHBondContact OE2-CB 3.46Å; E527-T529 PolarHBondContact OE2-N 2.95Å; E527-T529 PolarHBondContact OE2-OG1 3.33Å; E527-H530 WeakPolarHBondContact O-CB 3.43Å; E527-H530 PolarHBondContact O-N 3.14Å; E527-H530 IonicContact OE2-CD2 3.69Å; E527-H530 PolarHBondContact OE2-CD2 3.42Å; E527-H530 IonicContact OE2-CG 2.64Å; E527-H530 PolarHBondContact OE2-N 2.99Å; E527-H530 IonicContact OE2-NE2 2.71Å
528	P	91.6	Very high	94.6	Very high	18 Å²	18	63 Å²	63	12%	0.117	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.5	-167.1	-25.9	31.7	0	0	0	116.7	R511 D512 Y526	R511-P528 HydrophobicContact CG-CB 3.45Å; R511-P528 VanDerWaalsContact CG-CB 3.45Å; R511-P528 VanDerWaalsContact NH2-CG 3.27Å; D512-P528 HydrophobicContact CB-CB 4.1Å; D512-P528 PolarHBondContact N-O 3.29Å; Y526-P528 WeakPolarHBondContact O-CD 3.49Å
529	T	92.3	Very high	94.2	Very high	62 Å²	62	64.4 Å²	64.4	38%	0.38	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-15.3	177.8	74.4	0	0	0	0	113	E527 G531 G532 K533	E527-T529 PolarHBondContact O-N 3.41Å; E527-T529 VanDerWaalsContact OE2-CA 3.28Å; E527-T529 WeakPolarHBondContact OE2-CA 3.37Å; E527-T529 VanDerWaalsContact OE2-CB 3.27Å; E527-T529 WeakPolarHBondContact OE2-CB 3.46Å; E527-T529 PolarHBondContact OE2-N 2.95Å; E527-T529 PolarHBondContact OE2-OG1 3.33Å; T529-G531 VanDerWaalsContact C-N 3.31Å; T529-G531 PolarHBondContact O-N 2.92Å; T529-G532 PolarHBondContact O-N 3.18Å; T529-K533 WeakPolarHBondContact O-CG 3.28Å; T529-K533 PolarHBondContact O-N 3Å; T529-K533 VanDerWaalsContact O-N 3.15Å; T529-K533 VanDerWaalsContact OG1-CE 3.3Å; T529-K533 WeakPolarHBondContact OG1-CE 3.39Å; T529-K533 PolarHBondContact OG1-NZ 2.99Å
530	H	96.1	Very high	93.6	Very high	87 Å²	87	64.2 Å²	64.2	40%	0.403	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-38.6	-174.6	-78.2	-167.8	0	0	0	112.8	P489 E527 G532 K533 V534	P489-H530 HydrophobicContact CB-CB 4.43Å; P489-H530 HydrophobicContact CG-CB 3.61Å; E527-H530 WeakPolarHBondContact O-CB 3.43Å; E527-H530 PolarHBondContact O-N 3.14Å; E527-H530 IonicContact OE2-CD2 3.69Å; E527-H530 PolarHBondContact OE2-CD2 3.42Å; E527-H530 IonicContact OE2-CG 2.64Å; E527-H530 PolarHBondContact OE2-N 2.99Å; E527-H530 IonicContact OE2-NE2 2.71Å; H530-G532 PolarHBondContact O-N 3.45Å; H530-K533 PolarHBondContact O-N 3.37Å; H530-V534 WeakPolarHBondContact O-CB 3.37Å; H530-V534 VanDerWaalsContact O-CG2 3.25Å; H530-V534 WeakPolarHBondContact O-CG2 3.28Å; H530-V534 PolarHBondContact O-N 3.48Å
531	G	95.4	Very high	93.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-60	-45.4	180	0	0	0	0	0	113.2	T529 L535	T529-G531 VanDerWaalsContact C-N 3.31Å; T529-G531 PolarHBondContact O-N 2.92Å; G531-L535 WeakPolarHBondContact O-CG 3.25Å; G531-L535 PolarHBondContact O-N 3.22Å
532	G	93.5	Very high	92.2	Very high	14 Å²	14	60.1 Å²	60.1	14%	0.144	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-44.4	175.9	0	0	0	0	0	112.7	T529 H530 L535 T536	T529-G532 PolarHBondContact O-N 3.18Å; H530-G532 PolarHBondContact O-N 3.45Å; G532-L535 PolarHBondContact O-N 2.95Å; G532-T536 WeakPolarHBondContact O-CG2 3.45Å; G532-T536 PolarHBondContact O-N 3.35Å
533	K	94.5	Very high	91.3	Very high	119 Å²	119	55.2 Å²	55.2	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-46.9	178.4	-71.8	170.6	176	164.9	0	112.1	T529 H530 L535 T536	T529-K533 WeakPolarHBondContact O-CG 3.28Å; T529-K533 PolarHBondContact O-N 3Å; T529-K533 VanDerWaalsContact O-N 3.15Å; T529-K533 VanDerWaalsContact OG1-CE 3.3Å; T529-K533 WeakPolarHBondContact OG1-CE 3.39Å; T529-K533 PolarHBondContact OG1-NZ 2.99Å; H530-K533 PolarHBondContact O-N 3.37Å; K533-L535 PolarHBondContact O-N 2.84Å; K533-T536 PolarHBondContact O-N 3.49Å; K533-T536 PolarHBondContact O-OG1 3.22Å
534	V	96.1	Very high	91	Very high	33 Å²	33	49 Å²	49	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-45.2	179.4	169.4	0	0	0	0	110.8	P489 Q493 H530 T536 M537 A538	P489-V534 HydrophobicContact CB-CB 4.29Å; P489-V534 HydrophobicContact CB-CG2 4.03Å; Q493-V534 HydrophobicContact CG-CG1 4.1Å; Q493-V534 VanDerWaalsContact NE2-CG1 3.32Å; H530-V534 WeakPolarHBondContact O-CB 3.37Å; H530-V534 VanDerWaalsContact O-CG2 3.25Å; H530-V534 WeakPolarHBondContact O-CG2 3.28Å; H530-V534 PolarHBondContact O-N 3.48Å; V534-T536 VanDerWaalsContact C-N 3.3Å; V534-T536 PolarHBondContact O-N 3.5Å; V534-M537 HydrophobicContact CB-CE 4.45Å; V534-M537 HydrophobicContact CG2-CE 3.94Å; V534-M537 CarbonylContact O-C 3.58Å; V534-M537 WeakPolarHBondContact O-CG 3.49Å; V534-M537 PolarHBondContact O-N 3.34Å; V534-M537 VanDerWaalsContact O-N 3.16Å; V534-A538 WeakPolarHBondContact O-CB 3.33Å; V534-A538 PolarHBondContact O-N 3.09Å
535	L	95.2	Very high	90.9	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-41.2	177.4	-76.7	178.9	0	0	0	113.2	V492 Q493 C496 Y507 V509 G531 G532 K533 M537 A538 L541 I546	V492-L535 HydrophobicContact CG1-CD1 4.2Å; V492-L535 HydrophobicContact CG1-CD2 4.15Å; V492-L535 HydrophobicContact CG1-CG 3.89Å; V492-L535 HydrophobicContact CG2-CD1 3.86Å; V492-L535 HydrophobicContact CG2-CG 4.45Å; Q493-L535 HydrophobicContact CB-CD2 4.4Å; Q493-L535 HydrophobicContact CG-CD2 3.97Å; C496-L535 HydrophobicContact CB-CD2 3.65Å; Y507-L535 HydrophobicContact CD1-CD1 3.94Å; Y507-L535 HydrophobicContact CE1-CD1 3.81Å; V509-L535 HydrophobicContact CB-CD1 3.77Å; V509-L535 HydrophobicContact CG1-CD1 4.12Å; V509-L535 HydrophobicContact CG2-CD1 3.69Å; G531-L535 WeakPolarHBondContact O-CG 3.25Å; G531-L535 PolarHBondContact O-N 3.22Å; G532-L535 PolarHBondContact O-N 2.95Å; K533-L535 PolarHBondContact O-N 2.84Å; L535-M537 PolarHBondContact O-N 2.68Å; L535-A538 PolarHBondContact O-N 2.77Å; L535-L541 HydrophobicContact CD2-CD1 3.74Å; L535-I546 HydrophobicContact CB-CD1 4.07Å; L535-I546 HydrophobicContact CB-CG1 4.04Å; L535-I546 HydrophobicContact CB-CG2 4.14Å; L535-I546 HydrophobicContact CD1-CD1 4.3Å; L535-I546 HydrophobicContact CD1-CG2 4.3Å
536	T	90.9	Very high	90.7	Very high	97 Å²	97	48.6 Å²	48.6	60%	0.595	27%	0.268	S	S	*	.	H	α-helix	trans	-67.7	-15.6	-177.8	55.9	0	0	0	0	114.3	G532 K533 V534 I546	G532-T536 WeakPolarHBondContact O-CG2 3.45Å; G532-T536 PolarHBondContact O-N 3.35Å; K533-T536 PolarHBondContact O-N 3.49Å; K533-T536 PolarHBondContact O-OG1 3.22Å; V534-T536 VanDerWaalsContact C-N 3.3Å; V534-T536 PolarHBondContact O-N 3.5Å; T536-I546 HydrophobicContact CG2-CB 4.14Å; T536-I546 HydrophobicContact CG2-CG2 4.14Å
537	M	91.9	Very high	90.5	Very high	139 Å²	139	48.2 Å²	48.2	69%	0.685	27%	0.268	S	S	*	.	H	α-helix	trans	-120.1	2.6	178.9	67.4	-178	178.7	0	0	113.2	V534 L535	V534-M537 HydrophobicContact CB-CE 4.45Å; V534-M537 HydrophobicContact CG2-CE 3.94Å; V534-M537 CarbonylContact O-C 3.58Å; V534-M537 WeakPolarHBondContact O-CG 3.49Å; V534-M537 PolarHBondContact O-N 3.34Å; V534-M537 VanDerWaalsContact O-N 3.16Å; L535-M537 PolarHBondContact O-N 2.68Å
538	A	92.3	Very high	89.8	Confident	14 Å²	14	48.4 Å²	48.4	12%	0.116	28%	0.276	C	S	.	.			trans	-71.8	124.2	-176.6	0	0	0	0	0	109.8	Q493 V534 L535 L541	Q493-A538 HydrophobicContact CG-CB 4.13Å; V534-A538 WeakPolarHBondContact O-CB 3.33Å; V534-A538 PolarHBondContact O-N 3.09Å; L535-A538 PolarHBondContact O-N 2.77Å; A538-L541 HydrophobicContact CB-CD1 3.85Å; A538-L541 HydrophobicContact CB-CG 4.35Å
539	P	87.4	Confident	89	Confident	66 Å²	66	50.3 Å²	50.3	43%	0.429	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	152.4	175.3	30.1	-37.5	0	0	0	110.6	N284 N292 L541	N284-P539 WeakPolarHBondContact ND2-CG 3.13Å; N284-P539 PolarHBondContact OD1-O 3.42Å; N292-P539 WeakPolarHBondContact CB-O 3.4Å; N292-P539 PolarHBondContact ND2-O 3.39Å; P539-L541 VanDerWaalsContact C-N 3.33Å; P539-L541 PolarHBondContact O-N 2.95Å
540	G	84.3	Confident	88.4	Confident	13 Å²	13	53 Å²	53	13%	0.134	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	11.8	176.8	0	0	0	0	0	115.6	A290 M500	A290-G540 VanDerWaalsContact O-CA 3.24Å; A290-G540 WeakPolarHBondContact O-CA 3.16Å; M500-G540 VanDerWaalsContact CE-O 3.32Å; M500-G540 WeakPolarHBondContact CE-O 3.36Å
541	L	87.1	Confident	87.8	Confident	16 Å²	16	51.7 Å²	51.7	8%	0.084	28%	0.284	C	S	.	.			trans	-108.3	46.9	171.5	-62.2	-175.4	0	0	0	111.3	N292 C496 R497 M500 L535 A538 P539 V544	N292-L541 HydrophobicContact CB-CD2 3.74Å; N292-L541 HydrophobicContact CB-CG 4.09Å; C496-L541 HydrophobicContact CB-CD1 4.31Å; R497-L541 HydrophobicContact CB-CD2 3.92Å; M500-L541 HydrophobicContact CE-CD2 4.22Å; M500-L541 HydrophobicContact SD-CD2 4.49Å; L535-L541 HydrophobicContact CD2-CD1 3.74Å; A538-L541 HydrophobicContact CB-CD1 3.85Å; A538-L541 HydrophobicContact CB-CG 4.35Å; P539-L541 VanDerWaalsContact C-N 3.33Å; P539-L541 PolarHBondContact O-N 2.95Å; L541-V544 HydrophobicContact CB-CG1 4.08Å
542	T	73.4	Confident	87.4	Confident	65 Å²	65	52.4 Å²	52.4	40%	0.399	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-22.6	-166.7	44.3	0	0	0	0	114.2	S67	S67-T542 VanDerWaalsContact O-CG2 3.26Å; S67-T542 WeakPolarHBondContact O-CG2 3.46Å
543	S	76.1	Confident	87.3	Confident	50 Å²	50	51.9 Å²	51.9	35%	0.35	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	11.9	-177.2	-59.3	0	0	0	0	114
544	V	86.9	Confident	87.2	Confident	12 Å²	12	46.9 Å²	46.9	7%	0.073	26%	0.262	C	S	.	.			trans	-132.3	128	178.6	68.7	0	0	0	0	111.3	M500 N505 L541 I546	M500-V544 HydrophobicContact CB-CB 4.25Å; M500-V544 HydrophobicContact CB-CG1 4.32Å; M500-V544 HydrophobicContact CG-CB 3.98Å; M500-V544 HydrophobicContact CG-CG1 4.2Å; M500-V544 HydrophobicContact SD-CB 3.85Å; M500-V544 HydrophobicContact SD-CG1 3.55Å; M500-V544 VanDerWaalsContact SD-CG1 3.55Å; N505-V544 CarbonylContact O-C 3.58Å; N505-V544 WeakPolarHBondContact O-CA 3.41Å; L541-V544 HydrophobicContact CB-CG1 4.08Å; V544-I546 HydrophobicContact CG1-CD1 4.28Å
545	E	92.3	Very high	87	Confident	78 Å²	78	45.7 Å²	45.7	36%	0.364	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.2	172.5	-173.5	-173.9	131.2	0	0	109.9	R431 N505 F506 Y507 I547	R431-E545 IonicContact CZ-OE1 2.67Å; R431-E545 IonicContact CZ-OE2 2.84Å; R431-E545 VanDerWaalsContact CZ-OE2 3.3Å; R431-E545 IonicContact NH1-OE1 3.54Å; R431-E545 PolarHBondContact NH1-OE1 3.38Å; R431-E545 IonicContact NH1-OE2 3.5Å; R431-E545 PolarHBondContact NH1-OE2 2.97Å; R431-E545 IonicContact NH2-OE2 2.68Å; R431-E545 PolarHBondContact NH2-OE2 3.3Å; N505-E545 PolarHBondContact O-N 2.67Å; F506-E545 CarbonylContact C-O 3.26Å; F506-E545 VanDerWaalsContact CA-O 3.31Å; F506-E545 WeakPolarHBondContact CA-O 3.43Å; F506-E545 HydrophobicContact CD1-CB 3.73Å; F506-E545 HydrophobicContact CD1-CG 4.29Å; F506-E545 HydrophobicContact CE1-CB 3.94Å; F506-E545 HydrophobicContact CE1-CG 4.4Å; F506-E545 WeakPolarHBondContact CE1-OE2 3.16Å; Y507-E545 PolarHBondContact N-O 2.83Å; E545-I547 HydrophobicContact CG-CD1 4.37Å; E545-I547 WeakPolarHBondContact OE1-CD1 3.49Å
546	I	94.3	Very high	86.9	Confident	22 Å²	22	50.4 Å²	50.4	11%	0.113	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.8	179.3	-52.5	-56.1	0	0	0	109.6	C496 Y507 V509 L535 T536 V544 P548	C496-I546 VanDerWaalsContact SG-CD1 3.59Å; Y507-I546 HydrophobicContact CD1-CD1 4.45Å; V509-I546 HydrophobicContact CB-CG2 4.49Å; V509-I546 HydrophobicContact CG1-CG2 3.51Å; L535-I546 HydrophobicContact CB-CD1 4.07Å; L535-I546 HydrophobicContact CB-CG1 4.04Å; L535-I546 HydrophobicContact CB-CG2 4.14Å; L535-I546 HydrophobicContact CD1-CD1 4.3Å; L535-I546 HydrophobicContact CD1-CG2 4.3Å; T536-I546 HydrophobicContact CG2-CB 4.14Å; T536-I546 HydrophobicContact CG2-CG2 4.14Å; V544-I546 HydrophobicContact CG1-CD1 4.28Å; I546-P548 VanDerWaalsContact O-CD 3.24Å; I546-P548 WeakPolarHBondContact O-CD 3.32Å
547	I	91.7	Very high	86.9	Confident	22 Å²	22	50.8 Å²	50.8	11%	0.113	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	100.9	175.8	-54.9	-58.7	0	0	0	108.5	T424 F506 Y507 I508 V509 E545	T424-I547 HydrophobicContact CG2-CG1 4.38Å; T424-I547 HydrophobicContact CG2-CG2 4.47Å; F506-I547 HydrophobicContact CB-CG1 4.12Å; F506-I547 HydrophobicContact CD1-CD1 4.06Å; F506-I547 HydrophobicContact CD1-CG1 4.33Å; Y507-I547 PolarHBondContact O-N 2.97Å; I508-I547 HydrophobicContact CG1-CB 4.34Å; V509-I547 PolarHBondContact N-O 3.07Å; E545-I547 HydrophobicContact CG-CD1 4.37Å; E545-I547 WeakPolarHBondContact OE1-CD1 3.49Å
548	P	83.1	Confident	86.9	Confident	84 Å²	84	50.3 Å²	50.3	55%	0.545	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.2	-177.1	28.8	-35	0	0	0	111.8	I546 R550	I546-P548 VanDerWaalsContact O-CD 3.24Å; I546-P548 WeakPolarHBondContact O-CD 3.32Å; P548-R550 PolarHBondContact O-N 2.85Å
549	F	75.2	Confident	86.9	Confident	58 Å²	58	56.6 Å²	56.6	25%	0.254	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-58.7	135.4	174.4	-150.6	-107.5	0	0	0	111.7	L420 V509 G510	L420-F549 HydrophobicContact CD1-CD2 3.31Å; L420-F549 HydrophobicContact CD1-CE1 4.19Å; L420-F549 HydrophobicContact CD1-CE2 2.87Å; L420-F549 HydrophobicContact CD1-CG 4.22Å; L420-F549 HydrophobicContact CD1-CZ 3.35Å; L420-F549 HydrophobicContact CD2-CD2 3.95Å; L420-F549 HydrophobicContact CD2-CE2 4.32Å; L420-F549 HydrophobicContact CD2-CG 4.27Å; L420-F549 HydrophobicContact CG-CD2 4.26Å; L420-F549 HydrophobicContact CG-CE2 4.18Å; V509-F549 WeakPolarHBondContact O-CA 3.35Å; V509-F549 VanDerWaalsContact O-CB 3.22Å; V509-F549 WeakPolarHBondContact O-CB 3.3Å; V509-F549 PolarHBondContact O-N 2.78Å; G510-F549 VanDerWaalsContact CA-CD2 3.4Å
550	R	79.1	Confident	87.2	Confident	118 Å²	118	55.3 Å²	55.3	45%	0.445	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-95.5	131.3	152.5	-69.8	179.5	64.7	-172.6	-0.7	107.8	P548 A552 F563	P548-R550 PolarHBondContact O-N 2.85Å; R550-A552 PolarHBondContact O-N 2.78Å; R550-A552 VanDerWaalsContact O-N 3.09Å; R550-F563 HydrophobicContact CB-CD1 3.37Å; R550-F563 HydrophobicContact CB-CE1 3.66Å; R550-F563 HydrophobicContact CB-CG 4.13Å; R550-F563 HydrophobicContact CG-CD1 4.45Å
551	V	83	Confident	87.6	Confident	61 Å²	61	55.6 Å²	55.6	37%	0.37	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-55.8	120.5	179.2	178.8	0	0	0	0	108.7	F563 Y564 F574	V551-F563 CarbonylContact O-C 3.56Å; V551-F563 WeakPolarHBondContact O-CA 3.15Å; V551-Y564 HydrophobicContact CG1-CG 4.33Å; V551-Y564 WeakPolarHBondContact O-CB 3.32Å; V551-Y564 PolarHBondContact O-N 3.49Å; V551-F574 HydrophobicContact CG1-CE1 3.69Å; V551-F574 HydrophobicContact CG1-CZ 4.13Å
552	A	87.9	Confident	87.8	Confident	15 Å²	15	56.5 Å²	56.5	12%	0.124	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.7	175.8	0	0	0	0	0	109.3	L419 R550 M561 D562	L419-A552 HydrophobicContact CD2-CB 4.2Å; R550-A552 PolarHBondContact O-N 2.78Å; R550-A552 VanDerWaalsContact O-N 3.09Å; A552-M561 HydrophobicContact CB-CE 4.4Å; A552-D562 VanDerWaalsContact CA-O 3.32Å; A552-D562 WeakPolarHBondContact CA-O 3.39Å
553	A	90.1	Very high	88.6	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.1	179.5	0	0	0	0	0	110.1	N555 M561 D562 F572 F574	A553-N555 PolarHBondContact O-N 3.01Å; A553-M561 VanDerWaalsContact C-CE 3.44Å; A553-D562 PolarHBondContact N-O 3.25Å; A553-D562 PolarHBondContact O-N 3.44Å; A553-F572 HydrophobicContact CB-CB 4.14Å; A553-F572 HydrophobicContact CB-CD1 3.77Å; A553-F572 HydrophobicContact CB-CG 4.36Å; A553-F574 HydrophobicContact CB-CD1 3.98Å; A553-F574 HydrophobicContact CB-CD2 4.49Å; A553-F574 HydrophobicContact CB-CE1 3.73Å; A553-F574 HydrophobicContact CB-CE2 4.26Å; A553-F574 HydrophobicContact CB-CG 4.36Å; A553-F574 HydrophobicContact CB-CZ 3.89Å
554	Y	92.1	Very high	89.2	Confident	15 Å²	15	55.2 Å²	55.2	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	115.7	-179.5	-178.3	-104.8	0	0	0	109.5	K556 K559 M561 F572 E573 P591 D592 F594	Y554-K556 HydrophobicContact CD1-CG 4.25Å; Y554-K556 HydrophobicContact CE1-CG 4.34Å; Y554-K556 PolarHBondContact O-N 3.35Å; Y554-K559 WeakPolarHBondContact OH-CA 3.36Å; Y554-M561 HydrophobicContact CD2-SD 4.23Å; Y554-F572 CarbonylContact O-C 3.57Å; Y554-F572 WeakPolarHBondContact O-CA 3.2Å; Y554-E573 HydrophobicContact CD1-CB 4.42Å; Y554-E573 PolarHBondContact N-O 2.73Å; Y554-E573 PolarHBondContact O-N 3.06Å; Y554-P591 HydrophobicContact CD1-CB 3.98Å; Y554-P591 HydrophobicContact CD1-CG 4.26Å; Y554-P591 HydrophobicContact CD2-CB 4.41Å; Y554-P591 HydrophobicContact CE1-CB 3.41Å; Y554-P591 VanDerWaalsContact CE1-CB 3.41Å; Y554-P591 HydrophobicContact CE1-CG 4.07Å; Y554-P591 HydrophobicContact CE2-CB 3.91Å; Y554-P591 HydrophobicContact CG-CB 4.44Å; Y554-D592 WeakPolarHBondContact CE2-O 3.45Å; Y554-D592 PolarHBondContact OH-O 2.81Å; Y554-F594 HydrophobicContact CD2-CB 4.49Å
555	N	93.8	Very high	89.3	Confident	8 Å²	8	56 Å²	56	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	111.4	175.7	-175.4	-52.8	0	0	0	109	A553 T557 K558 K559 A560 D562 D571 F572	A553-N555 PolarHBondContact O-N 3.01Å; N555-T557 VanDerWaalsContact C-N 3.25Å; N555-T557 PolarHBondContact O-N 3.22Å; N555-T557 WeakPolarHBondContact OD1-CA 3.44Å; N555-T557 WeakPolarHBondContact OD1-CB 3.42Å; N555-T557 PolarHBondContact OD1-N 2.97Å; N555-K558 HydrophobicContact CB-CB 4.15Å; N555-K558 HydrophobicContact CB-CG 4.48Å; N555-K558 PolarHBondContact O-N 3.19Å; N555-K558 PolarHBondContact OD1-N 3.11Å; N555-K559 WeakPolarHBondContact O-CA 3.49Å; N555-K559 PolarHBondContact O-N 2.78Å; N555-A560 PolarHBondContact N-O 3.43Å; N555-A560 PolarHBondContact O-N 3.37Å; N555-D562 HydrophobicContact CB-CB 3.96Å; N555-D571 CarbonylContact C-O 3.54Å; N555-D571 WeakPolarHBondContact CA-O 3.42Å; N555-F572 HydrophobicContact CB-CD1 4.17Å; N555-F572 HydrophobicContact CB-CE1 3.95Å
556	K	92.4	Very high	89.1	Confident	103 Å²	103	56.6 Å²	56.6	45%	0.448	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32	-176.5	-66.3	175.8	-67.1	-177.4	0	112.6	Y554 A570 D571 E573	Y554-K556 HydrophobicContact CD1-CG 4.25Å; Y554-K556 HydrophobicContact CE1-CG 4.34Å; Y554-K556 PolarHBondContact O-N 3.35Å; K556-A570 WeakPolarHBondContact CE-O 3.01Å; K556-A570 PolarHBondContact NZ-O 3.46Å; K556-D571 WeakPolarHBondContact CE-O 3.5Å; K556-D571 PolarHBondContact N-O 3.28Å; K556-E573 HydrophobicContact CD-CB 4.38Å; K556-E573 HydrophobicContact CG-CB 4.3Å
557	T	91.1	Very high	88.9	Confident	104 Å²	104	63.5 Å²	63.5	64%	0.638	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-43.8	-179.9	-53.1	0	0	0	0	111.1	N555 D571	N555-T557 VanDerWaalsContact C-N 3.25Å; N555-T557 PolarHBondContact O-N 3.22Å; N555-T557 WeakPolarHBondContact OD1-CA 3.44Å; N555-T557 WeakPolarHBondContact OD1-CB 3.42Å; N555-T557 PolarHBondContact OD1-N 2.97Å; T557-D571 PolarHBondContact OG1-OD1 3.14Å
558	K	91.6	Very high	88.9	Confident	130 Å²	130	65.1 Å²	65.1	57%	0.565	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.4	177.9	-64	-177.5	-180	178.4	0	113.7	N555 A560 D562	N555-K558 HydrophobicContact CB-CB 4.15Å; N555-K558 HydrophobicContact CB-CG 4.48Å; N555-K558 PolarHBondContact O-N 3.19Å; N555-K558 PolarHBondContact OD1-N 3.11Å; K558-A560 PolarHBondContact O-N 2.76Å; K558-D562 WeakPolarHBondContact CD-OD2 3.48Å; K558-D562 WeakPolarHBondContact CE-OD2 3.44Å; K558-D562 IonicContact NZ-OD2 2.66Å; K558-D562 PolarHBondContact NZ-OD2 2.84Å
559	K	92.8	Very high	89.2	Confident	146 Å²	146	66.1 Å²	66.1	64%	0.635	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	42.9	-172.9	-59.9	-176.4	175.9	-175.3	0	112.9	Y554 N555	Y554-K559 WeakPolarHBondContact OH-CA 3.36Å; N555-K559 WeakPolarHBondContact O-CA 3.49Å; N555-K559 PolarHBondContact O-N 2.78Å
560	A	92.8	Very high	90	Very high	39 Å²	39	67 Å²	67	32%	0.322	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	162.4	-177.2	0	0	0	0	0	110.5	N555 K558	N555-A560 PolarHBondContact N-O 3.43Å; N555-A560 PolarHBondContact O-N 3.37Å; K558-A560 PolarHBondContact O-N 2.76Å
561	M	92.4	Very high	90.6	Very high	19 Å²	19	64.1 Å²	64.1	9%	0.094	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.2	167.7	-65.1	-61.1	-61.3	0	0	109.8	N415 A552 A553 Y554 F594	N415-M561 HydrophobicContact CB-CB 4.16Å; N415-M561 HydrophobicContact CB-CG 3.61Å; A552-M561 HydrophobicContact CB-CE 4.4Å; A553-M561 VanDerWaalsContact C-CE 3.44Å; Y554-M561 HydrophobicContact CD2-SD 4.23Å; M561-F594 HydrophobicContact SD-CD2 3.78Å; M561-F594 HydrophobicContact SD-CE2 4.32Å
562	D	92.1	Very high	91.1	Very high	35 Å²	35	62 Å²	62	19%	0.187	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	163	179.8	-167.1	14.7	0	0	0	110.6	A552 A553 N555 K558 Y564 F572	A552-D562 VanDerWaalsContact CA-O 3.32Å; A552-D562 WeakPolarHBondContact CA-O 3.39Å; A553-D562 PolarHBondContact N-O 3.25Å; A553-D562 PolarHBondContact O-N 3.44Å; N555-D562 HydrophobicContact CB-CB 3.96Å; K558-D562 WeakPolarHBondContact CD-OD2 3.48Å; K558-D562 WeakPolarHBondContact CE-OD2 3.44Å; K558-D562 IonicContact NZ-OD2 2.66Å; K558-D562 PolarHBondContact NZ-OD2 2.84Å; D562-Y564 PolarHBondContact O-N 3.27Å; D562-F572 HydrophobicContact CB-CE1 4.05Å
563	F	90.8	Very high	91.2	Very high	21 Å²	21	63.8 Å²	63.8	9%	0.092	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.4	175.1	-65.3	-57.8	0	0	0	110.4	L419 L420 D423 R550 V551 S565 F572	L419-F563 HydrophobicContact CD1-CE2 4.49Å; L419-F563 HydrophobicContact CD2-CD1 4.14Å; L419-F563 HydrophobicContact CD2-CD2 4.4Å; L419-F563 HydrophobicContact CD2-CE1 4.03Å; L419-F563 HydrophobicContact CD2-CE2 4.32Å; L419-F563 HydrophobicContact CD2-CG 4.33Å; L419-F563 HydrophobicContact CD2-CZ 4.13Å; L419-F563 HydrophobicContact CG-CE1 4.18Å; L419-F563 HydrophobicContact CG-CE2 4.26Å; L419-F563 HydrophobicContact CG-CZ 3.92Å; L420-F563 HydrophobicContact CD2-CE1 3.71Å; L420-F563 HydrophobicContact CD2-CZ 4.39Å; L420-F563 HydrophobicContact CG-CE1 4.27Å; D423-F563 HydrophobicContact CB-CE2 4.13Å; D423-F563 HydrophobicContact CB-CZ 3.75Å; R550-F563 HydrophobicContact CB-CD1 3.37Å; R550-F563 HydrophobicContact CB-CE1 3.66Å; R550-F563 HydrophobicContact CB-CG 4.13Å; R550-F563 HydrophobicContact CG-CD1 4.45Å; V551-F563 CarbonylContact O-C 3.56Å; V551-F563 WeakPolarHBondContact O-CA 3.15Å; F563-S565 PolarHBondContact O-N 3.43Å; F563-F572 VanDerWaalsContact O-CZ 3.28Å; F563-F572 WeakPolarHBondContact O-CZ 3.16Å
564	Y	88.8	Confident	91.1	Very high	67 Å²	67	68.9 Å²	68.9	26%	0.263	36%	0.358	S	S	.	.			trans	-56.7	132.4	178.4	175.2	-99.7	0	0	0	111.3	V551 D562 P566 H569 F572 F574	V551-Y564 HydrophobicContact CG1-CG 4.33Å; V551-Y564 WeakPolarHBondContact O-CB 3.32Å; V551-Y564 PolarHBondContact O-N 3.49Å; D562-Y564 PolarHBondContact O-N 3.27Å; Y564-P566 HydrophobicContact CE1-CB 4.42Å; Y564-P566 HydrophobicContact CE1-CG 3.96Å; Y564-H569 HydrophobicContact CE2-CB 4.44Å; Y564-H569 AromaticContact CE2-ND1 3.45Å; Y564-H569 WeakPolarHBondContact CE2-ND1 3.24Å; Y564-H569 AromaticContact CZ-ND1 3.59Å; Y564-H569 PolarHBondContact OH-ND1 2.87Å; Y564-F572 HydrophobicContact CD2-CB 4.05Å; Y564-F572 HydrophobicContact CD2-CD1 4.45Å; Y564-F572 AromaticContact CD2-CD2 3.92Å; Y564-F572 HydrophobicContact CD2-CD2 3.92Å; Y564-F572 AromaticContact CD2-CG 3.89Å; Y564-F572 HydrophobicContact CD2-CG 3.89Å; Y564-F572 HydrophobicContact CE2-CB 4.45Å; Y564-F572 HydrophobicContact CE2-CD2 4.4Å; Y564-F574 AromaticContact CD2-CE2 3.93Å; Y564-F574 HydrophobicContact CD2-CE2 3.93Å; Y564-F574 AromaticContact CD2-CZ 3.59Å; Y564-F574 HydrophobicContact CD2-CZ 3.59Å; Y564-F574 AromaticContact CE2-CE2 3.92Å; Y564-F574 HydrophobicContact CE2-CE2 3.92Å; Y564-F574 AromaticContact CE2-CZ 3.91Å; Y564-F574 HydrophobicContact CE2-CZ 3.91Å; Y564-F574 HydrophobicContact CG-CZ 4.07Å
565	S	87.9	Confident	90.7	Very high	28 Å²	28	69.3 Å²	69.3	20%	0.196	36%	0.361	C	S	.	.			trans	-120	128.2	169.8	145.3	0	0	0	0	108.2	F563 E567 C568 H569	F563-S565 PolarHBondContact O-N 3.43Å; S565-E567 PolarHBondContact O-N 2.95Å; S565-E567 PolarHBondContact OG-N 3.44Å; S565-E567 PolarHBondContact OG-OE2 3.47Å; S565-C568 CarbonylContact O-C 3.59Å; S565-C568 PolarHBondContact O-N 2.9Å; S565-C568 PolarHBondContact OG-N 2.91Å; S565-H569 PolarHBondContact O-N 3.24Å
566	P	88.2	Confident	90	Very high	90 Å²	90	72 Å²	72	58%	0.584	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-59.5	-32.6	174.1	-22.6	32.9	0	0	0	113.2	Y564 C568 H569	Y564-P566 HydrophobicContact CE1-CB 4.42Å; Y564-P566 HydrophobicContact CE1-CG 3.96Å; P566-C568 PolarHBondContact O-N 3.27Å; P566-H569 PolarHBondContact O-N 2.93Å
567	E	90.9	Very high	89.4	Confident	167 Å²	167	68.9 Å²	68.9	78%	0.78	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.9	-29.7	180	-55.8	92.2	-162.6	0	0	112.3	S565	S565-E567 PolarHBondContact O-N 2.95Å; S565-E567 PolarHBondContact OG-N 3.44Å; S565-E567 PolarHBondContact OG-OE2 3.47Å
568	C	90.1	Very high	88.9	Confident	56 Å²	56	67.5 Å²	67.5	38%	0.378	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-111.5	30.2	-178.8	-59.5	0	0	0	0	112.5	S565 P566 A570 D571 F572	S565-C568 CarbonylContact O-C 3.59Å; S565-C568 PolarHBondContact O-N 2.9Å; S565-C568 PolarHBondContact OG-N 2.91Å; P566-C568 PolarHBondContact O-N 3.27Å; C568-A570 PolarHBondContact O-N 2.91Å; C568-A570 VanDerWaalsContact O-N 3.08Å; C568-D571 WeakPolarHBondContact O-CB 3.3Å; C568-D571 PolarHBondContact O-N 2.77Å; C568-F572 HydrophobicContact CB-CE2 4.16Å; C568-F572 VanDerWaalsContact O-CD2 3.29Å; C568-F572 WeakPolarHBondContact O-CD2 3.38Å
569	H	90.4	Very high	88.6	Confident	106 Å²	106	65.4 Å²	65.4	49%	0.491	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-49.4	-40.8	-174.2	-179.7	81.5	0	0	0	114	Y564 S565 P566 D571 F572	Y564-H569 HydrophobicContact CE2-CB 4.44Å; Y564-H569 AromaticContact CE2-ND1 3.45Å; Y564-H569 WeakPolarHBondContact CE2-ND1 3.24Å; Y564-H569 AromaticContact CZ-ND1 3.59Å; Y564-H569 PolarHBondContact OH-ND1 2.87Å; S565-H569 PolarHBondContact O-N 3.24Å; P566-H569 PolarHBondContact O-N 2.93Å; H569-D571 PolarHBondContact O-N 3.33Å; H569-D571 VanDerWaalsContact O-N 3.14Å; H569-F572 PolarHBondContact O-N 3.03Å
570	A	92.1	Very high	88.3	Confident	76 Å²	76	59.3 Å²	59.3	63%	0.628	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.2	-178.7	0	0	0	0	0	113.8	K556 C568	K556-A570 WeakPolarHBondContact CE-O 3.01Å; K556-A570 PolarHBondContact NZ-O 3.46Å; C568-A570 PolarHBondContact O-N 2.91Å; C568-A570 VanDerWaalsContact O-N 3.08Å
571	D	92.5	Very high	87.8	Confident	58 Å²	58	60.2 Å²	60.2	31%	0.31	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-82	-16.5	179.1	-64	-28.7	0	0	0	112.7	N555 K556 T557 C568 H569	N555-D571 CarbonylContact C-O 3.54Å; N555-D571 WeakPolarHBondContact CA-O 3.42Å; K556-D571 WeakPolarHBondContact CE-O 3.5Å; K556-D571 PolarHBondContact N-O 3.28Å; T557-D571 PolarHBondContact OG1-OD1 3.14Å; C568-D571 WeakPolarHBondContact O-CB 3.3Å; C568-D571 PolarHBondContact O-N 2.77Å; H569-D571 PolarHBondContact O-N 3.33Å; H569-D571 VanDerWaalsContact O-N 3.14Å
572	F	91.8	Very high	87.6	Confident	15 Å²	15	63.5 Å²	63.5	7%	0.066	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.2	-175	-68.8	-85.9	0	0	0	112.6	A553 Y554 N555 D562 F563 Y564 C568 H569 F574	A553-F572 HydrophobicContact CB-CB 4.14Å; A553-F572 HydrophobicContact CB-CD1 3.77Å; A553-F572 HydrophobicContact CB-CG 4.36Å; Y554-F572 CarbonylContact O-C 3.57Å; Y554-F572 WeakPolarHBondContact O-CA 3.2Å; N555-F572 HydrophobicContact CB-CD1 4.17Å; N555-F572 HydrophobicContact CB-CE1 3.95Å; D562-F572 HydrophobicContact CB-CE1 4.05Å; F563-F572 VanDerWaalsContact O-CZ 3.28Å; F563-F572 WeakPolarHBondContact O-CZ 3.16Å; Y564-F572 HydrophobicContact CD2-CB 4.05Å; Y564-F572 HydrophobicContact CD2-CD1 4.45Å; Y564-F572 AromaticContact CD2-CD2 3.92Å; Y564-F572 HydrophobicContact CD2-CD2 3.92Å; Y564-F572 AromaticContact CD2-CG 3.89Å; Y564-F572 HydrophobicContact CD2-CG 3.89Å; Y564-F572 HydrophobicContact CE2-CB 4.45Å; Y564-F572 HydrophobicContact CE2-CD2 4.4Å; C568-F572 HydrophobicContact CB-CE2 4.16Å; C568-F572 VanDerWaalsContact O-CD2 3.29Å; C568-F572 WeakPolarHBondContact O-CD2 3.38Å; H569-F572 PolarHBondContact O-N 3.03Å; F572-F574 HydrophobicContact CB-CE2 4.49Å
573	E	90.3	Very high	87.4	Confident	53 Å²	53	63 Å²	63	25%	0.248	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.2	170.1	-172.9	-178.2	168.6	0	0	110.1	Y554 K556 I575 K579	Y554-E573 HydrophobicContact CD1-CB 4.42Å; Y554-E573 PolarHBondContact N-O 2.73Å; Y554-E573 PolarHBondContact O-N 3.06Å; K556-E573 HydrophobicContact CD-CB 4.38Å; K556-E573 HydrophobicContact CG-CB 4.3Å; E573-I575 HydrophobicContact CG-CG1 4.26Å; E573-K579 IonicContact OE1-NZ 3.91Å; E573-K579 PolarHBondContact OE1-NZ 2.94Å
574	F	87.5	Confident	87.3	Confident	110 Å²	110	62 Å²	62	48%	0.482	34%	0.339	S	S	.	.			trans	-95.6	106	174.9	-70.4	-90.9	0	0	0	110.1	V551 A553 Y564 F572 S576	V551-F574 HydrophobicContact CG1-CE1 3.69Å; V551-F574 HydrophobicContact CG1-CZ 4.13Å; A553-F574 HydrophobicContact CB-CD1 3.98Å; A553-F574 HydrophobicContact CB-CD2 4.49Å; A553-F574 HydrophobicContact CB-CE1 3.73Å; A553-F574 HydrophobicContact CB-CE2 4.26Å; A553-F574 HydrophobicContact CB-CG 4.36Å; A553-F574 HydrophobicContact CB-CZ 3.89Å; Y564-F574 AromaticContact CD2-CE2 3.93Å; Y564-F574 HydrophobicContact CD2-CE2 3.93Å; Y564-F574 AromaticContact CD2-CZ 3.59Å; Y564-F574 HydrophobicContact CD2-CZ 3.59Å; Y564-F574 AromaticContact CE2-CE2 3.92Å; Y564-F574 HydrophobicContact CE2-CE2 3.92Å; Y564-F574 AromaticContact CE2-CZ 3.91Å; Y564-F574 HydrophobicContact CE2-CZ 3.91Å; Y564-F574 HydrophobicContact CG-CZ 4.07Å; F572-F574 HydrophobicContact CB-CE2 4.49Å; F574-S576 PolarHBondContact O-N 2.97Å
575	I	84.3	Confident	87.2	Confident	24 Å²	24	64.2 Å²	64.2	12%	0.123	35%	0.347	C	S	.	.			trans	-91.7	104.5	176	-59.8	171.4	0	0	0	108.1	E573 K579 M580 P591 F594	E573-I575 HydrophobicContact CG-CG1 4.26Å; I575-K579 HydrophobicContact CG2-CB 4.32Å; I575-K579 HydrophobicContact CG2-CD 4.3Å; I575-K579 HydrophobicContact CG2-CG 4.35Å; I575-M580 HydrophobicContact CG2-CB 4.37Å; I575-P591 HydrophobicContact CD1-CG 3.9Å; I575-F594 HydrophobicContact CB-CD2 4.35Å; I575-F594 HydrophobicContact CB-CE2 3.74Å; I575-F594 HydrophobicContact CB-CZ 4.03Å; I575-F594 HydrophobicContact CD1-CD2 3.64Å; I575-F594 HydrophobicContact CD1-CE2 3.94Å; I575-F594 HydrophobicContact CD1-CG 4.03Å; I575-F594 HydrophobicContact CG1-CD2 4.49Å; I575-F594 HydrophobicContact CG1-CE2 4.35Å; I575-F594 HydrophobicContact CG2-CE1 4.39Å; I575-F594 HydrophobicContact CG2-CE2 4.11Å; I575-F594 HydrophobicContact CG2-CZ 3.89Å
576	S	80.5	Confident	87.1	Confident	66 Å²	66	66 Å²	66	46%	0.462	36%	0.36	S	S	.	.			trans	-68.8	156.6	178.2	72.7	0	0	0	0	111.6	F574 T578 K579 M580	F574-S576 PolarHBondContact O-N 2.97Å; S576-T578 PolarHBondContact O-N 3.49Å; S576-K579 PolarHBondContact O-N 3.26Å; S576-K579 PolarHBondContact OG-N 3.39Å; S576-K579 VanDerWaalsContact OG-N 3.12Å; S576-M580 PolarHBondContact O-N 2.55Å
577	G	79.4	Confident	86.9	Confident	37 Å²	37	63.9 Å²	63.9	38%	0.381	36%	0.355	S	S	.	.	H	α-helix	trans	-55.6	-35.5	173.4	0	0	0	0	0	112.5	M580 R581	G577-M580 PolarHBondContact O-N 3Å; G577-R581 VanDerWaalsContact O-CG 3.25Å; G577-R581 WeakPolarHBondContact O-CG 3.23Å; G577-R581 PolarHBondContact O-N 3Å
578	T	80.4	Confident	86.8	Confident	75 Å²	75	61.3 Å²	61.3	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-65.6	-44.6	174.4	-58	0	0	0	0	112.3	S576 R581 N582	S576-T578 PolarHBondContact O-N 3.49Å; T578-R581 PolarHBondContact O-N 2.9Å; T578-R581 PolarHBondContact OG1-NH2 3.22Å; T578-N582 VanDerWaalsContact O-CG 3.3Å; T578-N582 PolarHBondContact O-N 3.26Å
579	K	85.5	Confident	86.8	Confident	86 Å²	86	64.3 Å²	64.3	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.6	-174	176.7	179	-179.7	0	110.8	E573 I575 S576 R581 N582 L583	E573-K579 IonicContact OE1-NZ 3.91Å; E573-K579 PolarHBondContact OE1-NZ 2.94Å; I575-K579 HydrophobicContact CG2-CB 4.32Å; I575-K579 HydrophobicContact CG2-CD 4.3Å; I575-K579 HydrophobicContact CG2-CG 4.35Å; S576-K579 PolarHBondContact O-N 3.26Å; S576-K579 PolarHBondContact OG-N 3.39Å; S576-K579 VanDerWaalsContact OG-N 3.12Å; K579-R581 VanDerWaalsContact C-N 3.34Å; K579-R581 PolarHBondContact O-N 2.85Å; K579-N582 PolarHBondContact O-N 2.79Å; K579-L583 HydrophobicContact CG-CD1 4.39Å; K579-L583 WeakPolarHBondContact O-CG 3.46Å; K579-L583 PolarHBondContact O-N 2.85Å
580	M	85.3	Confident	86.9	Confident	18 Å²	18	59.8 Å²	59.8	9%	0.089	34%	0.335	C	S	.	.	H	α-helix	trans	-56.9	-45.6	175.9	-176	-162.7	67.7	0	0	111.9	I575 S576 G577 N582 L583 A584 F594 W600 L603	I575-M580 HydrophobicContact CG2-CB 4.37Å; S576-M580 PolarHBondContact O-N 2.55Å; G577-M580 PolarHBondContact O-N 3Å; M580-N582 VanDerWaalsContact C-N 3.35Å; M580-N582 PolarHBondContact O-N 2.9Å; M580-L583 PolarHBondContact O-N 2.91Å; M580-A584 PolarHBondContact O-N 3.07Å; M580-F594 HydrophobicContact CG-CE1 4.23Å; M580-F594 HydrophobicContact SD-CE1 4.38Å; M580-W600 HydrophobicContact CG-CH2 4.18Å; M580-W600 HydrophobicContact CG-CZ3 3.66Å; M580-W600 WeakPolarHBondContact O-CH2 3.44Å; M580-L603 HydrophobicContact CE-CD1 4.45Å; M580-L603 HydrophobicContact SD-CD1 4.31Å
581	R	83.7	Confident	86.8	Confident	58 Å²	58	58.1 Å²	58.1	22%	0.219	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-39.7	176.6	-72.4	-170.3	-68.4	-109.3	-5.3	112.9	G577 T578 K579 A584 R585 Y607	G577-R581 VanDerWaalsContact O-CG 3.25Å; G577-R581 WeakPolarHBondContact O-CG 3.23Å; G577-R581 PolarHBondContact O-N 3Å; T578-R581 PolarHBondContact O-N 2.9Å; T578-R581 PolarHBondContact OG1-NH2 3.22Å; K579-R581 VanDerWaalsContact C-N 3.34Å; K579-R581 PolarHBondContact O-N 2.85Å; R581-A584 PolarHBondContact O-N 2.66Å; R581-R585 WeakPolarHBondContact O-CB 3.35Å; R581-R585 VanDerWaalsContact O-CG 3.26Å; R581-R585 WeakPolarHBondContact O-CG 3.26Å; R581-R585 PolarHBondContact O-N 2.99Å; R581-Y607 HydrophobicContact CB-CE1 4.39Å; R581-Y607 VanDerWaalsContact CD-OH 3.26Å; R581-Y607 WeakPolarHBondContact CD-OH 3.3Å; R581-Y607 HydrophobicContact CG-CE1 4.08Å; R581-Y607 HydrophobicContact CG-CE2 4.22Å; R581-Y607 WeakPolarHBondContact CG-OH 3.46Å
582	N	86.8	Confident	86.8	Confident	88 Å²	88	61.8 Å²	61.8	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-64.9	-44.5	178.1	-70.5	-9.9	0	0	0	111.2	T578 K579 M580 A584 R585 S586	T578-N582 VanDerWaalsContact O-CG 3.3Å; T578-N582 PolarHBondContact O-N 3.26Å; K579-N582 PolarHBondContact O-N 2.79Å; M580-N582 VanDerWaalsContact C-N 3.35Å; M580-N582 PolarHBondContact O-N 2.9Å; N582-A584 PolarHBondContact O-N 2.91Å; N582-R585 WeakPolarHBondContact O-CB 3.49Å; N582-R585 PolarHBondContact O-N 2.79Å; N582-S586 PolarHBondContact O-N 2.98Å; N582-S586 PolarHBondContact O-OG 3.44Å
583	L	89.4	Confident	86.6	Confident	23 Å²	23	62.5 Å²	62.5	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-58.3	-47.3	174.1	-68.4	170.1	0	0	0	111.4	K579 M580 R585 S586 G587 E588 P590 W600	K579-L583 HydrophobicContact CG-CD1 4.39Å; K579-L583 WeakPolarHBondContact O-CG 3.46Å; K579-L583 PolarHBondContact O-N 2.85Å; M580-L583 PolarHBondContact O-N 2.91Å; L583-R585 VanDerWaalsContact C-N 3.27Å; L583-R585 PolarHBondContact O-N 2.74Å; L583-S586 PolarHBondContact O-N 2.85Å; L583-S586 PolarHBondContact O-OG 3.14Å; L583-G587 PolarHBondContact O-N 3.32Å; L583-E588 HydrophobicContact CB-CB 4.43Å; L583-E588 HydrophobicContact CD2-CB 3.68Å; L583-E588 WeakPolarHBondContact CD2-OE2 3.39Å; L583-E588 PolarHBondContact O-N 3.15Å; L583-P590 HydrophobicContact CD1-CB 4.38Å; L583-W600 HydrophobicContact CB-CH2 3.88Å; L583-W600 HydrophobicContact CB-CZ2 4.02Å
584	A	87	Confident	86.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-31.8	179.3	0	0	0	0	0	112.9	M580 R581 N582 W600 Y607	M580-A584 PolarHBondContact O-N 3.07Å; R581-A584 PolarHBondContact O-N 2.66Å; N582-A584 PolarHBondContact O-N 2.91Å; A584-W600 HydrophobicContact CB-CH2 3.64Å; A584-W600 HydrophobicContact CB-CZ2 3.77Å; A584-W600 HydrophobicContact CB-CZ3 4.46Å; A584-Y607 HydrophobicContact CB-CD2 3.4Å; A584-Y607 VanDerWaalsContact CB-CD2 3.4Å; A584-Y607 HydrophobicContact CB-CE2 4.05Å; A584-Y607 HydrophobicContact CB-CG 4.13Å
585	R	86.9	Confident	86.9	Confident	114 Å²	114	55.5 Å²	55.5	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-74.2	-32.2	175	-79.6	174.8	-178.5	179.2	-2.1	113.4	R581 N582 L583 Y607 Q611	R581-R585 WeakPolarHBondContact O-CB 3.35Å; R581-R585 VanDerWaalsContact O-CG 3.26Å; R581-R585 WeakPolarHBondContact O-CG 3.26Å; R581-R585 PolarHBondContact O-N 2.99Å; N582-R585 WeakPolarHBondContact O-CB 3.49Å; N582-R585 PolarHBondContact O-N 2.79Å; L583-R585 VanDerWaalsContact C-N 3.27Å; L583-R585 PolarHBondContact O-N 2.74Å; R585-Y607 HydrophobicContact CG-CD1 3.88Å; R585-Y607 HydrophobicContact CG-CG 4.06Å; R585-Q611 PolarHBondContact O-NE2 3.44Å; R585-Q611 PolarHBondContact O-OE1 2.57Å
586	S	87	Confident	87.4	Confident	67 Å²	67	54.5 Å²	54.5	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-86.6	-8.9	175.8	62.5	0	0	0	0	113.1	N582 L583 E588	N582-S586 PolarHBondContact O-N 2.98Å; N582-S586 PolarHBondContact O-OG 3.44Å; L583-S586 PolarHBondContact O-N 2.85Å; L583-S586 PolarHBondContact O-OG 3.14Å; S586-E588 WeakPolarHBondContact CB-OE1 3.46Å; S586-E588 VanDerWaalsContact OG-CD 3.22Å; S586-E588 WeakPolarHBondContact OG-CG 3.37Å; S586-E588 PolarHBondContact OG-OE1 3.35Å
587	G	82.9	Confident	88	Confident	45 Å²	45	55.8 Å²	55.8	46%	0.464	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	11	-175.2	0	0	0	0	0	113.4	L583	L583-G587 PolarHBondContact O-N 3.32Å
588	E	89.4	Confident	88.8	Confident	112 Å²	112	58.3 Å²	58.3	52%	0.523	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-76.8	146.5	174.4	-72.1	166.6	-125.4	0	0	110.9	L583 S586 W600	L583-E588 HydrophobicContact CB-CB 4.43Å; L583-E588 HydrophobicContact CD2-CB 3.68Å; L583-E588 WeakPolarHBondContact CD2-OE2 3.39Å; L583-E588 PolarHBondContact O-N 3.15Å; S586-E588 WeakPolarHBondContact CB-OE1 3.46Å; S586-E588 VanDerWaalsContact OG-CD 3.22Å; S586-E588 WeakPolarHBondContact OG-CG 3.37Å; S586-E588 PolarHBondContact OG-OE1 3.35Å; E588-W600 WeakPolarHBondContact O-CZ2 3.36Å; E588-W600 PolarHBondContact O-NE1 3.46Å
589	N	90.2	Very high	89.5	Confident	119 Å²	119	54.7 Å²	54.7	64%	0.636	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-86.1	142.9	175.3	-68.9	-42.8	0	0	0	110.9	W600	N589-W600 VanDerWaalsContact OD1-CD1 3.22Å; N589-W600 PolarHBondContact OD1-NE1 3.42Å; N589-W600 VanDerWaalsContact OD1-NE1 3.15Å
590	P	91.1	Very high	89.9	Confident	12 Å²	12	51.1 Å²	51.1	8%	0.078	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66.7	167.4	164.2	34.1	-37.8	0	0	0	109.6	L583 D592 F594 W600	L583-P590 HydrophobicContact CD1-CB 4.38Å; P590-D592 PolarHBondContact O-N 3.4Å; P590-F594 HydrophobicContact CB-CB 4.05Å; P590-F594 HydrophobicContact CB-CD1 3.61Å; P590-F594 HydrophobicContact CB-CE1 4.43Å; P590-F594 HydrophobicContact CB-CG 4.07Å; P590-F594 HydrophobicContact CG-CB 4.41Å; P590-F594 HydrophobicContact CG-CD1 3.91Å; P590-W600 HydrophobicContact CG-CD2 3.84Å; P590-W600 HydrophobicContact CG-CE3 3.65Å; P590-W600 HydrophobicContact CG-CG 4.41Å; P590-W600 HydrophobicContact CG-CH2 4.39Å; P590-W600 HydrophobicContact CG-CZ3 3.98Å
591	P	91.6	Very high	90.4	Very high	40 Å²	40	56.4 Å²	56.4	26%	0.26	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-52.8	139.7	172.6	-26.2	36	0	0	0	112.2	Y554 I575 G593 F594	Y554-P591 HydrophobicContact CD1-CB 3.98Å; Y554-P591 HydrophobicContact CD1-CG 4.26Å; Y554-P591 HydrophobicContact CD2-CB 4.41Å; Y554-P591 HydrophobicContact CE1-CB 3.41Å; Y554-P591 VanDerWaalsContact CE1-CB 3.41Å; Y554-P591 HydrophobicContact CE1-CG 4.07Å; Y554-P591 HydrophobicContact CE2-CB 3.91Å; Y554-P591 HydrophobicContact CG-CB 4.44Å; I575-P591 HydrophobicContact CD1-CG 3.9Å; P591-G593 PolarHBondContact O-N 2.98Å; P591-F594 WeakPolarHBondContact O-CB 3.28Å; P591-F594 PolarHBondContact O-N 3.27Å
592	D	91.3	Very high	91	Very high	135 Å²	135	54.6 Å²	54.6	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	132.1	177.2	-67.3	-24.9	0	0	0	110.6	Y554 P590	Y554-D592 WeakPolarHBondContact CE2-O 3.45Å; Y554-D592 PolarHBondContact OH-O 2.81Å; P590-D592 PolarHBondContact O-N 3.4Å
593	G	88.8	Confident	91.3	Very high	30 Å²	30	50.4 Å²	50.4	31%	0.309	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-1.9	-177.7	0	0	0	0	0	115.1	N415 P591	N415-G593 WeakPolarHBondContact CB-O 3.32Å; N415-G593 PolarHBondContact ND2-O 3.49Å; P591-G593 PolarHBondContact O-N 2.98Å
594	F	90.9	Very high	91.5	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	-70.9	-41.6	169.4	176.9	-102.5	0	0	0	112.7	H414 N415 Y554 M561 I575 M580 P590 P591	H414-F594 HydrophobicContact CB-CE1 4.07Å; H414-F594 HydrophobicContact CB-CZ 4.06Å; N415-F594 VanDerWaalsContact CB-O 3.27Å; N415-F594 WeakPolarHBondContact CB-O 3.32Å; N415-F594 PolarHBondContact N-O 3.22Å; Y554-F594 HydrophobicContact CD2-CB 4.49Å; M561-F594 HydrophobicContact SD-CD2 3.78Å; M561-F594 HydrophobicContact SD-CE2 4.32Å; I575-F594 HydrophobicContact CB-CD2 4.35Å; I575-F594 HydrophobicContact CB-CE2 3.74Å; I575-F594 HydrophobicContact CB-CZ 4.03Å; I575-F594 HydrophobicContact CD1-CD2 3.64Å; I575-F594 HydrophobicContact CD1-CE2 3.94Å; I575-F594 HydrophobicContact CD1-CG 4.03Å; I575-F594 HydrophobicContact CG1-CD2 4.49Å; I575-F594 HydrophobicContact CG1-CE2 4.35Å; I575-F594 HydrophobicContact CG2-CE1 4.39Å; I575-F594 HydrophobicContact CG2-CE2 4.11Å; I575-F594 HydrophobicContact CG2-CZ 3.89Å; M580-F594 HydrophobicContact CG-CE1 4.23Å; M580-F594 HydrophobicContact SD-CE1 4.38Å; P590-F594 HydrophobicContact CB-CB 4.05Å; P590-F594 HydrophobicContact CB-CD1 3.61Å; P590-F594 HydrophobicContact CB-CE1 4.43Å; P590-F594 HydrophobicContact CB-CG 4.07Å; P590-F594 HydrophobicContact CG-CB 4.41Å; P590-F594 HydrophobicContact CG-CD1 3.91Å; P591-F594 WeakPolarHBondContact O-CB 3.28Å; P591-F594 PolarHBondContact O-N 3.27Å
595	M	93.3	Very high	91.8	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.044	30%	0.301	C	S	.	.	S	Bend	trans	-150.2	153.4	177.7	-170	160.5	81.3	0	0	110.4	H414 Q460 A599 W600 L603	H414-M595 HydrophobicContact CB-CB 4.38Å; H414-M595 HydrophobicContact CB-CG 4.45Å; H414-M595 HydrophobicContact CB-SD 4.22Å; Q460-M595 PolarHBondContact NE2-SD 3.5Å; Q460-M595 VanDerWaalsContact NE2-SD 3.37Å; M595-A599 HydrophobicContact CG-CB 4.25Å; M595-W600 HydrophobicContact CE-CB 3.79Å; M595-W600 HydrophobicContact CE-CD2 4.14Å; M595-W600 HydrophobicContact CE-CE3 3.35Å; M595-W600 HydrophobicContact CE-CG 4.38Å; M595-W600 HydrophobicContact CE-CZ3 4.19Å; M595-L603 HydrophobicContact CE-CD1 3.43Å; M595-L603 VanDerWaalsContact CE-CD1 3.43Å; M595-L603 HydrophobicContact CE-CG 4Å; M595-L603 HydrophobicContact SD-CD1 4.23Å
596	A	93.7	Very high	92.1	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	29%	0.285	C	S	.	.			trans	-58	129.8	175.8	0	0	0	0	0	111.3	E467 V469 K598 A599 W600	E467-A596 HydrophobicContact CB-CB 4.27Å; E467-A596 HydrophobicContact CG-CB 4.46Å; E467-A596 WeakPolarHBondContact OE1-CB 3.36Å; V469-A596 HydrophobicContact CG2-CB 3.78Å; A596-K598 PolarHBondContact O-N 3.25Å; A596-A599 HydrophobicContact CB-CB 3.89Å; A596-A599 CarbonylContact O-C 3.53Å; A596-A599 WeakPolarHBondContact O-CA 3.4Å; A596-A599 WeakPolarHBondContact O-CB 3.4Å; A596-A599 PolarHBondContact O-N 3.1Å; A596-W600 PolarHBondContact O-N 3Å
597	P	94.5	Very high	92.2	Very high	93 Å²	93	48 Å²	48	60%	0.604	26%	0.264	S	S	*	.	H	α-helix	trans	-53.2	-45.4	-177.1	-31.7	34.5	0	0	0	116.3	E467 A599 W600 K601	E467-P597 VanDerWaalsContact OE2-CD 3.26Å; E467-P597 WeakPolarHBondContact OE2-CD 3.29Å; P597-A599 VanDerWaalsContact C-N 3.3Å; P597-A599 PolarHBondContact O-N 3.36Å; P597-W600 PolarHBondContact O-N 3.19Å; P597-K601 PolarHBondContact O-N 3.4Å
598	K	95.4	Very high	92.4	Very high	90 Å²	90	47.9 Å²	47.9	39%	0.391	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-40.2	174.9	-63.6	-175.9	178	174	0	110.5	A463 E466 E467 A596 W600 K601 V602	A463-K598 HydrophobicContact CB-CB 3.95Å; E466-K598 IonicContact OE1-NZ 2.78Å; E466-K598 PolarHBondContact OE1-NZ 2.9Å; E466-K598 IonicContact OE2-NZ 3.82Å; E467-K598 HydrophobicContact CG-CB 4.08Å; E467-K598 HydrophobicContact CG-CD 3.79Å; E467-K598 HydrophobicContact CG-CG 3.91Å; E467-K598 WeakPolarHBondContact OE1-CA 3.49Å; E467-K598 WeakPolarHBondContact OE1-CB 3.35Å; E467-K598 PolarHBondContact OE1-N 3.01Å; A596-K598 PolarHBondContact O-N 3.25Å; K598-W600 VanDerWaalsContact C-N 3.34Å; K598-W600 PolarHBondContact O-N 3.23Å; K598-K601 WeakPolarHBondContact O-CB 3.36Å; K598-K601 PolarHBondContact O-N 2.77Å; K598-V602 WeakPolarHBondContact O-CG2 3.45Å; K598-V602 PolarHBondContact O-N 3.37Å; K598-V602 VanDerWaalsContact O-N 3.17Å
599	A	94.6	Very high	92.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-36.2	177.1	0	0	0	0	0	112.3	Q460 A463 V464 E467 M595 A596 P597 V602 L603	Q460-A599 HydrophobicContact CG-CB 4.07Å; A463-A599 HydrophobicContact CB-CB 4.08Å; V464-A599 HydrophobicContact CG2-CB 3.57Å; E467-A599 PolarHBondContact OE1-N 3.06Å; M595-A599 HydrophobicContact CG-CB 4.25Å; A596-A599 HydrophobicContact CB-CB 3.89Å; A596-A599 CarbonylContact O-C 3.53Å; A596-A599 WeakPolarHBondContact O-CA 3.4Å; A596-A599 WeakPolarHBondContact O-CB 3.4Å; A596-A599 PolarHBondContact O-N 3.1Å; P597-A599 VanDerWaalsContact C-N 3.3Å; P597-A599 PolarHBondContact O-N 3.36Å; A599-V602 PolarHBondContact O-N 3.09Å; A599-L603 PolarHBondContact O-N 2.92Å
600	W	95	Very high	92	Very high	11 Å²	11	41.1 Å²	41.1	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-45.1	171.6	-177	-107.5	0	0	0	112.1	M580 L583 A584 E588 N589 P590 M595 A596 P597 K598 V602 L603 V604	M580-W600 HydrophobicContact CG-CH2 4.18Å; M580-W600 HydrophobicContact CG-CZ3 3.66Å; M580-W600 WeakPolarHBondContact O-CH2 3.44Å; L583-W600 HydrophobicContact CB-CH2 3.88Å; L583-W600 HydrophobicContact CB-CZ2 4.02Å; A584-W600 HydrophobicContact CB-CH2 3.64Å; A584-W600 HydrophobicContact CB-CZ2 3.77Å; A584-W600 HydrophobicContact CB-CZ3 4.46Å; E588-W600 WeakPolarHBondContact O-CZ2 3.36Å; E588-W600 PolarHBondContact O-NE1 3.46Å; N589-W600 VanDerWaalsContact OD1-CD1 3.22Å; N589-W600 PolarHBondContact OD1-NE1 3.42Å; N589-W600 VanDerWaalsContact OD1-NE1 3.15Å; P590-W600 HydrophobicContact CG-CD2 3.84Å; P590-W600 HydrophobicContact CG-CE3 3.65Å; P590-W600 HydrophobicContact CG-CG 4.41Å; P590-W600 HydrophobicContact CG-CH2 4.39Å; P590-W600 HydrophobicContact CG-CZ3 3.98Å; M595-W600 HydrophobicContact CE-CB 3.79Å; M595-W600 HydrophobicContact CE-CD2 4.14Å; M595-W600 HydrophobicContact CE-CE3 3.35Å; M595-W600 HydrophobicContact CE-CG 4.38Å; M595-W600 HydrophobicContact CE-CZ3 4.19Å; A596-W600 PolarHBondContact O-N 3Å; P597-W600 PolarHBondContact O-N 3.19Å; K598-W600 VanDerWaalsContact C-N 3.34Å; K598-W600 PolarHBondContact O-N 3.23Å; W600-V602 VanDerWaalsContact C-N 3.29Å; W600-V602 PolarHBondContact O-N 3Å; W600-L603 WeakPolarHBondContact O-CB 3.44Å; W600-L603 PolarHBondContact O-N 3.29Å; W600-V604 HydrophobicContact CD2-CG2 4.45Å; W600-V604 HydrophobicContact CG-CG2 4.48Å; W600-V604 HydrophobicContact CZ2-CG2 4.15Å; W600-V604 PolarHBondContact O-N 3.34Å
601	K	95.1	Very high	91.2	Very high	129 Å²	129	45.1 Å²	45.1	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-55.8	-42.7	177	-173.2	178.8	176.1	-176	0	112.3	P597 K598 L603 V604 E605	P597-K601 PolarHBondContact O-N 3.4Å; K598-K601 WeakPolarHBondContact O-CB 3.36Å; K598-K601 PolarHBondContact O-N 2.77Å; K601-L603 VanDerWaalsContact C-N 3.29Å; K601-L603 PolarHBondContact O-N 3.27Å; K601-V604 PolarHBondContact O-N 3.42Å; K601-E605 VanDerWaalsContact CE-OE1 3.26Å; K601-E605 WeakPolarHBondContact CE-OE1 3.13Å; K601-E605 WeakPolarHBondContact O-CG 3.47Å; K601-E605 PolarHBondContact O-N 3.27Å
602	V	95.3	Very high	89.8	Confident	19 Å²	19	51.5 Å²	51.5	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-39.7	175.5	175.9	0	0	0	0	111.9	W456 K459 Q460 A463 K598 A599 W600 Y606	W456-V602 HydrophobicContact CE3-CG1 3.97Å; W456-V602 HydrophobicContact CZ3-CG1 4.43Å; K459-V602 HydrophobicContact CB-CG1 3.89Å; Q460-V602 HydrophobicContact CB-CB 4.4Å; Q460-V602 HydrophobicContact CB-CG1 4.02Å; A463-V602 HydrophobicContact CB-CG2 4.36Å; K598-V602 WeakPolarHBondContact O-CG2 3.45Å; K598-V602 PolarHBondContact O-N 3.37Å; K598-V602 VanDerWaalsContact O-N 3.17Å; A599-V602 PolarHBondContact O-N 3.09Å; W600-V602 VanDerWaalsContact C-N 3.29Å; W600-V602 PolarHBondContact O-N 3Å; V602-Y606 PolarHBondContact O-N 3.49Å
603	L	93.2	Very high	87.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-41.7	176.8	-65.3	-169.8	0	0	0	112.4	P412 Q460 M580 M595 A599 W600 K601 E605 Y606 Y607	P412-L603 HydrophobicContact CB-CD1 3.9Å; P412-L603 HydrophobicContact CB-CD2 3.96Å; P412-L603 HydrophobicContact CB-CG 4.46Å; P412-L603 HydrophobicContact CG-CD1 4.07Å; P412-L603 HydrophobicContact CG-CD2 3.61Å; P412-L603 HydrophobicContact CG-CG 4.49Å; Q460-L603 HydrophobicContact CG-CD2 4.11Å; Q460-L603 HydrophobicContact CG-CG 4.24Å; M580-L603 HydrophobicContact CE-CD1 4.45Å; M580-L603 HydrophobicContact SD-CD1 4.31Å; M595-L603 HydrophobicContact CE-CD1 3.43Å; M595-L603 VanDerWaalsContact CE-CD1 3.43Å; M595-L603 HydrophobicContact CE-CG 4Å; M595-L603 HydrophobicContact SD-CD1 4.23Å; A599-L603 PolarHBondContact O-N 2.92Å; W600-L603 WeakPolarHBondContact O-CB 3.44Å; W600-L603 PolarHBondContact O-N 3.29Å; K601-L603 VanDerWaalsContact C-N 3.29Å; K601-L603 PolarHBondContact O-N 3.27Å; L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.9Å; L603-Y606 WeakPolarHBondContact O-CB 3.27Å; L603-Y606 PolarHBondContact O-N 2.98Å; L603-Y607 HydrophobicContact CB-CD2 4.49Å; L603-Y607 WeakPolarHBondContact O-CD2 3.41Å; L603-Y607 PolarHBondContact O-N 3.41Å
604	V	93.4	Very high	85.9	Confident	32 Å²	32	59.2 Å²	59.2	19%	0.194	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-46.8	175.6	175.6	0	0	0	0	110.2	W600 K601 Y606 Y607 S608	W600-V604 HydrophobicContact CD2-CG2 4.45Å; W600-V604 HydrophobicContact CG-CG2 4.48Å; W600-V604 HydrophobicContact CZ2-CG2 4.15Å; W600-V604 PolarHBondContact O-N 3.34Å; K601-V604 PolarHBondContact O-N 3.42Å; V604-Y606 VanDerWaalsContact C-N 3.33Å; V604-Y606 PolarHBondContact O-N 3.06Å; V604-Y607 PolarHBondContact O-N 3.41Å; V604-S608 WeakPolarHBondContact O-CB 3.26Å; V604-S608 PolarHBondContact O-N 3.38Å; V604-S608 PolarHBondContact O-OG 3.5Å; V604-S608 VanDerWaalsContact O-OG 3.09Å
605	E	94.3	Very high	85.6	Confident	91 Å²	91	61.8 Å²	61.8	43%	0.425	32%	0.317	S	S	.	.	H	α-helix	trans	-56.9	-44.7	175.8	-73.7	174.2	-170	0	0	112.1	W456 K601 L603 S609	W456-E605 HydrophobicContact CH2-CB 4.39Å; W456-E605 HydrophobicContact CZ3-CB 4.14Å; K601-E605 VanDerWaalsContact CE-OE1 3.26Å; K601-E605 WeakPolarHBondContact CE-OE1 3.13Å; K601-E605 WeakPolarHBondContact O-CG 3.47Å; K601-E605 PolarHBondContact O-N 3.27Å; L603-E605 VanDerWaalsContact C-N 3.33Å; L603-E605 PolarHBondContact O-N 2.9Å; E605-S609 WeakPolarHBondContact O-CB 3.42Å; E605-S609 PolarHBondContact O-N 3.31Å
606	Y	93.1	Very high	85.2	Confident	23 Å²	23	64.6 Å²	64.6	9%	0.09	33%	0.332	C	S	.	.	H	α-helix	trans	-59	-55.7	174.2	167.4	-115.3	0	0	0	111.9	V452 P453 W456 V602 L603 V604 S608 S609 V610	V452-Y606 HydrophobicContact CB-CE1 4.32Å; V452-Y606 HydrophobicContact CG1-CD1 4.03Å; V452-Y606 HydrophobicContact CG1-CE1 4.02Å; V452-Y606 HydrophobicContact CG1-CG 4.47Å; V452-Y606 HydrophobicContact CG2-CD1 4.32Å; V452-Y606 HydrophobicContact CG2-CE1 3.93Å; P453-Y606 VanDerWaalsContact CD-CE2 3.5Å; P453-Y606 VanDerWaalsContact CD-CZ 3.42Å; P453-Y606 VanDerWaalsContact CD-OH 3.25Å; P453-Y606 WeakPolarHBondContact CD-OH 3.23Å; P453-Y606 HydrophobicContact CG-CE2 3.97Å; W456-Y606 HydrophobicContact CB-CD2 4.39Å; W456-Y606 HydrophobicContact CB-CG 4.44Å; W456-Y606 AromaticContact CD1-CD2 3.42Å; W456-Y606 VanDerWaalsContact CD1-CD2 3.42Å; W456-Y606 AromaticContact CD1-CE2 3.91Å; W456-Y606 AromaticContact CD2-CD2 3.94Å; W456-Y606 HydrophobicContact CD2-CD2 3.94Å; W456-Y606 HydrophobicContact CD2-CG 4.21Å; W456-Y606 AromaticContact CE2-CD2 3.85Å; W456-Y606 AromaticContact CG-CD2 3.69Å; W456-Y606 HydrophobicContact CG-CD2 3.69Å; W456-Y606 HydrophobicContact CG-CE2 4.47Å; W456-Y606 HydrophobicContact CG-CG 4.06Å; W456-Y606 AromaticContact NE1-CD2 3.52Å; V602-Y606 PolarHBondContact O-N 3.49Å; L603-Y606 WeakPolarHBondContact O-CB 3.27Å; L603-Y606 PolarHBondContact O-N 2.98Å; V604-Y606 VanDerWaalsContact C-N 3.33Å; V604-Y606 PolarHBondContact O-N 3.06Å; Y606-S608 VanDerWaalsContact C-N 3.32Å; Y606-S608 PolarHBondContact O-N 3.35Å; Y606-S609 WeakPolarHBondContact O-CB 3.44Å; Y606-S609 PolarHBondContact O-N 3.24Å; Y606-S609 PolarHBondContact O-OG 3.08Å; Y606-V610 HydrophobicContact CD2-CG2 4.12Å; Y606-V610 HydrophobicContact CE1-CG2 4.46Å; Y606-V610 HydrophobicContact CE2-CG2 3.55Å; Y606-V610 PolarHBondContact O-N 3.25Å; Y606-V610 VanDerWaalsContact O-N 3.12Å
607	Y	89.6	Confident	84.8	Confident	8 Å²	8	68 Å²	68	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-33.3	-175.6	-77.4	-67.8	0	0	0	112.9	V452 R581 A584 R585 L603 V604 S609 V610 Q611	V452-Y607 WeakPolarHBondContact CG2-OH 3.1Å; R581-Y607 HydrophobicContact CB-CE1 4.39Å; R581-Y607 VanDerWaalsContact CD-OH 3.26Å; R581-Y607 WeakPolarHBondContact CD-OH 3.3Å; R581-Y607 HydrophobicContact CG-CE1 4.08Å; R581-Y607 HydrophobicContact CG-CE2 4.22Å; R581-Y607 WeakPolarHBondContact CG-OH 3.46Å; A584-Y607 HydrophobicContact CB-CD2 3.4Å; A584-Y607 VanDerWaalsContact CB-CD2 3.4Å; A584-Y607 HydrophobicContact CB-CE2 4.05Å; A584-Y607 HydrophobicContact CB-CG 4.13Å; R585-Y607 HydrophobicContact CG-CD1 3.88Å; R585-Y607 HydrophobicContact CG-CG 4.06Å; L603-Y607 HydrophobicContact CB-CD2 4.49Å; L603-Y607 WeakPolarHBondContact O-CD2 3.41Å; L603-Y607 PolarHBondContact O-N 3.41Å; V604-Y607 PolarHBondContact O-N 3.41Å; Y607-S609 VanDerWaalsContact C-N 3.34Å; Y607-V610 PolarHBondContact O-N 2.95Å; Y607-Q611 PolarHBondContact O-N 3.23Å; Y607-Q611 VanDerWaalsContact O-N 3.16Å
608	S	87.3	Confident	84.2	Confident	42 Å²	42	66.5 Å²	66.5	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-35.6	170.3	-67	0	0	0	0	112.4	V604 Y606 Q611 K612	V604-S608 WeakPolarHBondContact O-CB 3.26Å; V604-S608 PolarHBondContact O-N 3.38Å; V604-S608 PolarHBondContact O-OG 3.5Å; V604-S608 VanDerWaalsContact O-OG 3.09Å; Y606-S608 VanDerWaalsContact C-N 3.32Å; Y606-S608 PolarHBondContact O-N 3.35Å; S608-Q611 PolarHBondContact O-N 3.19Å; S608-K612 WeakPolarHBondContact O-CG 3.41Å; S608-K612 PolarHBondContact O-N 3.34Å
609	S	87.7	Confident	83.5	Confident	40 Å²	40	65.1 Å²	65.1	28%	0.28	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-35.5	176.3	76.9	0	0	0	0	112.6	E605 Y606 Y607 K612	E605-S609 WeakPolarHBondContact O-CB 3.42Å; E605-S609 PolarHBondContact O-N 3.31Å; Y606-S609 WeakPolarHBondContact O-CB 3.44Å; Y606-S609 PolarHBondContact O-N 3.24Å; Y606-S609 PolarHBondContact O-OG 3.08Å; Y607-S609 VanDerWaalsContact C-N 3.34Å; S609-K612 PolarHBondContact O-N 3.39Å
610	V	83.3	Confident	82.7	Confident	48 Å²	48	69.4 Å²	69.4	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-69.1	-38.8	176.5	177.1	0	0	0	0	111.2	Y606 Y607 K612 N613	Y606-V610 HydrophobicContact CD2-CG2 4.12Å; Y606-V610 HydrophobicContact CE1-CG2 4.46Å; Y606-V610 HydrophobicContact CE2-CG2 3.55Å; Y606-V610 PolarHBondContact O-N 3.25Å; Y606-V610 VanDerWaalsContact O-N 3.12Å; Y607-V610 PolarHBondContact O-N 2.95Å; V610-K612 VanDerWaalsContact C-N 3.31Å; V610-K612 PolarHBondContact O-N 3.41Å; V610-N613 PolarHBondContact O-N 3.22Å
611	Q	73.8	Confident	81.9	Confident	97 Å²	97	73.6 Å²	73.6	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-67.3	-26.9	176.8	-78.8	176.4	-13.2	0	0	114.1	R585 Y607 S608 N613	R585-Q611 PolarHBondContact O-NE2 3.44Å; R585-Q611 PolarHBondContact O-OE1 2.57Å; Y607-Q611 PolarHBondContact O-N 3.23Å; Y607-Q611 VanDerWaalsContact O-N 3.16Å; S608-Q611 PolarHBondContact O-N 3.19Å; Q611-N613 VanDerWaalsContact C-N 3.35Å
612	K	62.3	Low	80.8	Confident	174 Å²	174	69.3 Å²	69.3	76%	0.757	36%	0.36	S	S	*	.	H	α-helix	trans	-79	-19.3	178.3	-74.1	178.7	179.2	-178.6	0	113.6	S608 S609 V610	S608-K612 WeakPolarHBondContact O-CG 3.41Å; S608-K612 PolarHBondContact O-N 3.34Å; S609-K612 PolarHBondContact O-N 3.39Å; V610-K612 VanDerWaalsContact C-N 3.31Å; V610-K612 PolarHBondContact O-N 3.41Å
613	N	52	Low	79.6	Confident	139 Å²	139	73.5 Å²	73.5	74%	0.743	38%	0.38	S	S	*	.			trans	-99.4	-1.8	-177	-69.4	-13.5	0	0	0	113.2	V610 Q611	V610-N613 PolarHBondContact O-N 3.22Å; Q611-N613 VanDerWaalsContact C-N 3.35Å
614	N	45.7	Very low	78.4	Confident	187 Å²	187	80.1 Å²	80.1	100%	1	41%	0.414	S	S	*	.			trans	-109.1	0	168.1	-72	-22.8	0	0	0	108.7

Retrieved 614 of 614 residues in 329.7 ms (Link to these results)

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