A0A3Q0KML5_SCHMA Loading...

General transcription factor IIH subunit

AlphaFold DB (A0A5K4EN31), UniProt , Accession A0A3Q0KML5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 426 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	40.1	Very low	40.1	Very low	240 Å²	240	134.1 Å²	134.1	100%	1.182	85%	0.851	S	S	*	*				0	116.2	0	-91	173.1	166.5	0	0	107.3
2	S	35.5	Very low	41.5	Very low	113 Å²	113	140 Å²	140	79%	0.79	86%	0.855	S	S	*	*			trans	45	128	163.2	-59.9	0	0	0	0	118.4
3	T	41.4	Very low	42.5	Very low	135 Å²	135	148.2 Å²	148.2	83%	0.828	86%	0.86	S	S	*	*			cis	-164.4	132.9	32.4	-10.5	0	0	0	0	108.8
4	M	37.9	Very low	43.8	Very low	169 Å²	169	147.8 Å²	147.8	83%	0.833	85%	0.847	S	S	*	*			trans	-71.8	134.4	163.7	-70.3	-176.8	-179.8	0	0	109.2
5	L	45.4	Very low	45	Very low	177 Å²	177	146.9 Å²	146.9	93%	0.927	83%	0.83	S	S	*	*			trans	-117.2	108	149.5	-75.4	173.1	0	0	0	106.9
6	H	37.6	Very low	46.1	Very low	177 Å²	177	152.3 Å²	152.3	82%	0.819	83%	0.833	S	S	*	*			trans	-71.3	127.3	165.6	-112.8	-55.8	0	0	0	107.9
7	D	43.7	Very low	47.4	Very low	161 Å²	161	153.5 Å²	153.5	86%	0.861	82%	0.822	S	S	*	*			trans	-126.2	132.2	149	-154.4	2.8	0	0	0	109.1
8	G	35	Very low	48.1	Very low	71 Å²	71	149.1 Å²	149.1	73%	0.732	80%	0.796	S	S	*	*			trans	-90.8	127.9	-168.1	0	0	0	0	0	111.5
9	G	39.5	Very low	48.7	Very low	74 Å²	74	145.9 Å²	145.9	76%	0.763	79%	0.786	S	S	*	*			trans	-171.4	114.9	170.1	0	0	0	0	0	110	G11	G9-G11 PolarHBondContact O-N 2.93Å
10	G	38.4	Very low	49.2	Very low	97 Å²	97	141.8 Å²	141.8	100%	1	78%	0.78	S	S	*	*			trans	-69.3	67.7	-175	0	0	0	0	0	114.5
11	G	46.5	Very low	49.6	Very low	61 Å²	61	141.5 Å²	141.5	63%	0.629	77%	0.768	S	S	*	*			trans	-90.6	129.8	172.4	0	0	0	0	0	111.8	G9 R13	G9-G11 PolarHBondContact O-N 2.93Å; G11-R13 PolarHBondContact O-N 3.49Å
12	K	57.3	Low	50.5	Low	205 Å²	205	138.3 Å²	138.3	89%	0.891	75%	0.75	S	S	*	*			trans	-46.1	127.6	169.6	-77.2	174.1	175.1	176.4	0	109.6	E14	K12-E14 PolarHBondContact O-N 2.76Å
13	R	54.6	Low	51.8	Low	246 Å²	246	139.5 Å²	139.5	93%	0.928	74%	0.741	S	S	*	*			trans	-65.8	94.1	171.5	-70.2	179.5	-177.1	173.4	0.8	108.5	G11	G11-R13 PolarHBondContact O-N 3.49Å
14	E	60.6	Low	52.8	Low	143 Å²	143	137.7 Å²	137.7	67%	0.668	73%	0.73	S	S	*	*			trans	-57.9	140.2	166.4	-87	-177.1	153.7	0	0	109.6	K12 E18	K12-E14 PolarHBondContact O-N 2.76Å; E14-E18 VanDerWaalsContact CA-OE2 3.29Å; E14-E18 WeakPolarHBondContact CA-OE2 3.21Å; E14-E18 HydrophobicContact CB-CB 4.41Å; E14-E18 WeakPolarHBondContact CB-OE2 3.48Å; E14-E18 WeakPolarHBondContact CG-OE2 3.39Å
15	F	61.4	Low	54.2	Low	135 Å²	135	138 Å²	138	59%	0.592	72%	0.722	S	S	*	*			trans	-70.6	146	178.4	-67.4	-82.8	0	0	0	109.8	W17 E18	F15-W17 VanDerWaalsContact CB-CD1 3.46Å; F15-W17 HydrophobicContact CB-CG 4.31Å; F15-W17 AromaticContact CG-NE1 3.74Å; F15-W17 PolarHBondContact O-N 2.97Å; F15-E18 HydrophobicContact CB-CG 4.5Å; F15-E18 PolarHBondContact N-OE2 3.02Å; F15-E18 WeakPolarHBondContact O-CB 3.45Å; F15-E18 PolarHBondContact O-N 3.37Å
16	R	62.8	Low	54.9	Low	233 Å²	233	134.1 Å²	134.1	88%	0.879	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-12.4	-176.7	-145.7	177.3	86.8	167.4	6.9	115.1	S19	R16-S19 PolarHBondContact O-OG 3.35Å
17	W	68.2	Low	56.1	Low	173 Å²	173	129.6 Å²	129.6	66%	0.655	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-23.3	172.6	64.4	-94.8	0	0	0	112.8	F15 Y21	F15-W17 VanDerWaalsContact CB-CD1 3.46Å; F15-W17 HydrophobicContact CB-CG 4.31Å; F15-W17 AromaticContact CG-NE1 3.74Å; F15-W17 PolarHBondContact O-N 2.97Å; W17-Y21 WeakPolarHBondContact O-CB 3.17Å; W17-Y21 PolarHBondContact O-N 2.65Å; W17-Y21 VanDerWaalsContact O-N 3.11Å
18	E	60	Low	57.1	Low	74 Å²	74	126.3 Å²	126.3	35%	0.346	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.4	-34.7	173.6	-67.3	173.3	144.6	0	0	111	E14 F15	E14-E18 VanDerWaalsContact CA-OE2 3.29Å; E14-E18 WeakPolarHBondContact CA-OE2 3.21Å; E14-E18 HydrophobicContact CB-CB 4.41Å; E14-E18 WeakPolarHBondContact CB-OE2 3.48Å; E14-E18 WeakPolarHBondContact CG-OE2 3.39Å; F15-E18 HydrophobicContact CB-CG 4.5Å; F15-E18 PolarHBondContact N-OE2 3.02Å; F15-E18 WeakPolarHBondContact O-CB 3.45Å; F15-E18 PolarHBondContact O-N 3.37Å
19	S	59.6	Low	58.4	Low	88 Å²	88	132.4 Å²	132.4	62%	0.615	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-16.8	175.1	47.6	0	0	0	0	114.7	R16	R16-S19 PolarHBondContact O-OG 3.35Å
20	G	58.5	Low	59.7	Low	64 Å²	64	135.4 Å²	135.4	66%	0.66	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-9.7	172.3	0	0	0	0	0	114	E22	G20-E22 VanDerWaalsContact C-N 3.31Å; G20-E22 PolarHBondContact O-N 3.11Å; G20-E22 VanDerWaalsContact O-N 3.1Å
21	Y	57.1	Low	61	Low	135 Å²	135	133.9 Å²	133.9	53%	0.529	65%	0.649	S	S	.	*			trans	-81.7	79.4	172.3	-166	-96.1	0	0	0	108.5	W17 K23	W17-Y21 WeakPolarHBondContact O-CB 3.17Å; W17-Y21 PolarHBondContact O-N 2.65Å; W17-Y21 VanDerWaalsContact O-N 3.11Å; Y21-K23 HydrophobicContact CD1-CG 3.98Å; Y21-K23 HydrophobicContact CE1-CG 4.17Å; Y21-K23 PolarHBondContact O-N 2.96Å
22	E	58.7	Low	62.1	Low	174 Å²	174	141.1 Å²	141.1	81%	0.813	67%	0.666	S	S	*	*			trans	-54.8	110.8	159.6	-84.4	-170.1	160.5	0	0	106.9	G20 T24	G20-E22 VanDerWaalsContact C-N 3.31Å; G20-E22 PolarHBondContact O-N 3.11Å; G20-E22 VanDerWaalsContact O-N 3.1Å; E22-T24 VanDerWaalsContact C-N 3.26Å; E22-T24 PolarHBondContact O-N 3.12Å
23	K	64.8	Low	62.7	Low	138 Å²	138	135 Å²	135	60%	0.6	65%	0.65	S	S	*	*			trans	-63	93.6	175.3	-66.3	175.8	-176	175.1	0	106.3	Y21 W25 S26	Y21-K23 HydrophobicContact CD1-CG 3.98Å; Y21-K23 HydrophobicContact CE1-CG 4.17Å; Y21-K23 PolarHBondContact O-N 2.96Å; K23-W25 PolarHBondContact O-N 3.22Å; K23-S26 PolarHBondContact O-N 2.92Å; K23-S26 PolarHBondContact O-OG 2.98Å
24	T	62.1	Low	63.3	Low	97 Å²	97	125.7 Å²	125.7	60%	0.595	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-52.2	-27	178.3	46.8	0	0	0	0	112	E22 S26 A27	E22-T24 VanDerWaalsContact C-N 3.26Å; E22-T24 PolarHBondContact O-N 3.12Å; T24-S26 VanDerWaalsContact C-N 3.34Å; T24-S26 PolarHBondContact O-N 3.05Å; T24-A27 PolarHBondContact O-N 3.07Å
25	W	66.2	Low	63.3	Low	174 Å²	174	127.4 Å²	127.4	66%	0.659	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-62.8	-27.9	172.2	-38.7	101.5	0	0	0	114.8	K23 A27 I28	K23-W25 PolarHBondContact O-N 3.22Å; W25-A27 PolarHBondContact O-N 3.15Å; W25-I28 HydrophobicContact CE3-CD1 4Å; W25-I28 WeakPolarHBondContact O-CB 3.45Å; W25-I28 PolarHBondContact O-N 3.12Å; W25-I28 VanDerWaalsContact O-N 3.15Å
26	S	61.2	Low	63.4	Low	97 Å²	97	125.6 Å²	125.6	68%	0.678	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-73.1	-12.7	178.3	61.3	0	0	0	0	113.6	K23 T24 I28	K23-S26 PolarHBondContact O-N 2.92Å; K23-S26 PolarHBondContact O-OG 2.98Å; T24-S26 VanDerWaalsContact C-N 3.34Å; T24-S26 PolarHBondContact O-N 3.05Å; S26-I28 VanDerWaalsContact C-N 3.33Å
27	A	61.9	Low	63.1	Low	82 Å²	82	118.5 Å²	118.5	68%	0.678	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-81.4	-14.8	171.3	0	0	0	0	0	112.7	T24 W25 R29	T24-A27 PolarHBondContact O-N 3.07Å; W25-A27 PolarHBondContact O-N 3.15Å; A27-R29 PolarHBondContact O-N 2.79Å
28	I	63.9	Low	62.7	Low	91 Å²	91	114.2 Å²	114.2	47%	0.467	60%	0.601	S	S	.	*			trans	-80.1	107	177.9	-55.8	177.8	0	0	0	107.5	W25 S26 L36	W25-I28 HydrophobicContact CE3-CD1 4Å; W25-I28 WeakPolarHBondContact O-CB 3.45Å; W25-I28 PolarHBondContact O-N 3.12Å; W25-I28 VanDerWaalsContact O-N 3.15Å; S26-I28 VanDerWaalsContact C-N 3.33Å; I28-L36 HydrophobicContact CG2-CD2 3.17Å; I28-L36 HydrophobicContact CG2-CG 4.49Å
29	R	62.8	Low	63	Low	199 Å²	199	114 Å²	114	75%	0.751	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-94.5	135.1	178.4	-64.3	-172.3	-177.6	-174	0.9	110.7	A27 V37	A27-R29 PolarHBondContact O-N 2.79Å; R29-V37 HydrophobicContact CB-CG2 4Å; R29-V37 VanDerWaalsContact O-CG2 3.27Å; R29-V37 WeakPolarHBondContact O-CG2 3.44Å; R29-V37 PolarHBondContact O-N 3.2Å
30	E	67.1	Low	63.5	Low	137 Å²	137	116 Å²	116	64%	0.64	61%	0.608	S	S	*	*	B	Isolated β-bridge	trans	-98.1	143.9	167.7	-67.8	173.5	-177.1	0	0	108.8	R35 L36	E30-R35 CarbonylContact C-O 3.53Å; E30-R35 WeakPolarHBondContact CA-O 3.5Å; E30-L36 HydrophobicContact CG-CD2 3.93Å
31	D	65.8	Low	64	Low	65 Å²	65	117.5 Å²	117.5	35%	0.348	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-75.1	173.3	170.9	65.8	20.9	0	0	0	111.3	S33 G34 R35 V37	D31-S33 VanDerWaalsContact CG-OG 3.25Å; D31-S33 PolarHBondContact O-N 3.46Å; D31-S33 WeakPolarHBondContact OD1-CA 3.35Å; D31-S33 WeakPolarHBondContact OD1-CB 3.47Å; D31-S33 PolarHBondContact OD1-N 2.9Å; D31-S33 PolarHBondContact OD1-OG 2.74Å; D31-S33 PolarHBondContact OD2-OG 3.18Å; D31-G34 PolarHBondContact O-N 3.03Å; D31-G34 PolarHBondContact OD1-N 2.9Å; D31-R35 PolarHBondContact N-O 3.48Å; D31-R35 PolarHBondContact OD1-N 2.8Å; D31-V37 HydrophobicContact CB-CG2 4.38Å
32	E	69.8	Low	64.7	Low	213 Å²	213	116.4 Å²	116.4	100%	0.995	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-11.3	179	-63.2	178.8	170.5	0	0	113.5
33	S	68.7	Low	65.6	Low	78 Å²	78	112.5 Å²	112.5	55%	0.545	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.7	4.7	176.4	77	0	0	0	0	113.8	D31 R35	D31-S33 VanDerWaalsContact CG-OG 3.25Å; D31-S33 PolarHBondContact O-N 3.46Å; D31-S33 WeakPolarHBondContact OD1-CA 3.35Å; D31-S33 WeakPolarHBondContact OD1-CB 3.47Å; D31-S33 PolarHBondContact OD1-N 2.9Å; D31-S33 PolarHBondContact OD1-OG 2.74Å; D31-S33 PolarHBondContact OD2-OG 3.18Å; S33-R35 VanDerWaalsContact C-N 3.31Å
34	G	67.8	Low	66.1	Low	49 Å²	49	109.1 Å²	109.1	51%	0.505	57%	0.57	S	S	.	*	S	Bend	trans	73.2	20.8	-178.4	0	0	0	0	0	113.6	D31	D31-G34 PolarHBondContact O-N 3.03Å; D31-G34 PolarHBondContact OD1-N 2.9Å
35	R	61.9	Low	66.7	Low	180 Å²	180	107 Å²	107	68%	0.679	55%	0.553	S	S	*	*	S	Bend	trans	-105.1	142.6	176.5	-62.4	178.3	177.4	-173.6	0	109.5	E30 D31 S33 V37	E30-R35 CarbonylContact C-O 3.53Å; E30-R35 WeakPolarHBondContact CA-O 3.5Å; D31-R35 PolarHBondContact N-O 3.48Å; D31-R35 PolarHBondContact OD1-N 2.8Å; S33-R35 VanDerWaalsContact C-N 3.31Å; R35-V37 PolarHBondContact O-N 2.87Å
36	L	62.3	Low	67.3	Low	96 Å²	96	102.7 Å²	102.7	50%	0.503	54%	0.543	S	S	.	.	B	Isolated β-bridge	trans	-59.6	134.8	174.1	-66.3	173.9	0	0	0	110.1	I28 E30 T38	I28-L36 HydrophobicContact CG2-CD2 3.17Å; I28-L36 HydrophobicContact CG2-CG 4.49Å; E30-L36 HydrophobicContact CG-CD2 3.93Å; L36-T38 PolarHBondContact O-N 3.48Å
37	V	57.2	Low	68.1	Low	85 Å²	85	100.2 Å²	100.2	52%	0.515	53%	0.528	S	S	.	.	S	Bend	trans	-59.6	-4.1	-170.4	171.1	0	0	0	0	114.8	R29 D31 R35 T39	R29-V37 HydrophobicContact CB-CG2 4Å; R29-V37 VanDerWaalsContact O-CG2 3.27Å; R29-V37 WeakPolarHBondContact O-CG2 3.44Å; R29-V37 PolarHBondContact O-N 3.2Å; D31-V37 HydrophobicContact CB-CG2 4.38Å; R35-V37 PolarHBondContact O-N 2.87Å; V37-T39 PolarHBondContact O-N 3.43Å; V37-T39 VanDerWaalsContact O-N 3.13Å
38	T	60	Low	68.9	Low	83 Å²	83	96.7 Å²	96.7	51%	0.509	50%	0.498	S	S	.	.	S	Bend	trans	-77.8	98.7	169.1	-22.7	0	0	0	0	109.4	L36 L40 L43	L36-T38 PolarHBondContact O-N 3.48Å; T38-L40 PolarHBondContact O-N 3.46Å; T38-L40 VanDerWaalsContact O-N 3.17Å; T38-L43 HydrophobicContact CG2-CD1 3.82Å; T38-L43 HydrophobicContact CG2-CG 4.22Å
39	T	65.3	Low	69.7	Low	69 Å²	69	94 Å²	94	42%	0.423	49%	0.485	S	S	.	.			trans	-54.6	125.3	175.6	56.3	0	0	0	0	109.7	V37 E41 Q42 L43	V37-T39 PolarHBondContact O-N 3.43Å; V37-T39 VanDerWaalsContact O-N 3.13Å; T39-E41 PolarHBondContact O-N 3.42Å; T39-Q42 PolarHBondContact O-N 3.11Å; T39-Q42 WeakPolarHBondContact OG1-CB 3.31Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.21Å; T39-Q42 PolarHBondContact OG1-OE1 2.87Å; T39-L43 PolarHBondContact O-N 3.27Å; T39-L43 VanDerWaalsContact O-N 3.13Å
40	L	70.6	Confident	70.5	Confident	130 Å²	130	90.7 Å²	90.7	68%	0.681	48%	0.478	S	S	*	.	H	α-helix	trans	-49.3	-35.5	-179.5	178.5	63.2	0	0	0	111.9	T38 L43 I44	T38-L40 PolarHBondContact O-N 3.46Å; T38-L40 VanDerWaalsContact O-N 3.17Å; L40-L43 PolarHBondContact O-N 3.4Å; L40-I44 HydrophobicContact CD1-CD1 4.19Å; L40-I44 HydrophobicContact CD1-CG1 4.4Å; L40-I44 HydrophobicContact CG-CD1 3.91Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.39Å; L40-I44 PolarHBondContact O-N 3.43Å
41	E	69.5	Low	70.9	Confident	96 Å²	96	87.5 Å²	87.5	45%	0.449	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-44.1	176.6	-62.7	-179.3	169.9	0	0	113.2	T39 H45 I392	T39-E41 PolarHBondContact O-N 3.42Å; E41-H45 WeakPolarHBondContact O-CB 3.11Å; E41-H45 PolarHBondContact O-N 2.96Å; E41-I392 HydrophobicContact CB-CD1 4.32Å
42	Q	71.3	Confident	71.6	Confident	112 Å²	112	85 Å²	85	52%	0.523	45%	0.451	S	S	.	.	H	α-helix	trans	-66.4	-40.1	175.2	-75.5	170.2	-13.8	0	0	111	T39 I44 H45 D46	T39-Q42 PolarHBondContact O-N 3.11Å; T39-Q42 WeakPolarHBondContact OG1-CB 3.31Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.21Å; T39-Q42 PolarHBondContact OG1-OE1 2.87Å; Q42-I44 PolarHBondContact O-N 3.06Å; Q42-H45 PolarHBondContact O-N 3.49Å; Q42-D46 WeakPolarHBondContact O-CB 3.34Å; Q42-D46 VanDerWaalsContact O-CG 3.27Å; Q42-D46 PolarHBondContact O-N 3Å
43	L	76.6	Confident	72	Confident	92 Å²	92	80.7 Å²	80.7	48%	0.482	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-42.3	179.7	-133.1	157	0	0	0	111.6	T38 T39 L40 A47	T38-L43 HydrophobicContact CG2-CD1 3.82Å; T38-L43 HydrophobicContact CG2-CG 4.22Å; T39-L43 PolarHBondContact O-N 3.27Å; T39-L43 VanDerWaalsContact O-N 3.13Å; L40-L43 PolarHBondContact O-N 3.4Å; L43-A47 VanDerWaalsContact O-CB 3.23Å; L43-A47 WeakPolarHBondContact O-CB 3.49Å; L43-A47 PolarHBondContact O-N 2.99Å
44	I	76.1	Confident	72.2	Confident	66 Å²	66	80.1 Å²	80.1	34%	0.338	42%	0.416	S	S	.	.	H	α-helix	trans	-63.7	-44.6	173.3	-68.4	165.7	0	0	0	110.4	L40 Q42 H48 H406	L40-I44 HydrophobicContact CD1-CD1 4.19Å; L40-I44 HydrophobicContact CD1-CG1 4.4Å; L40-I44 HydrophobicContact CG-CD1 3.91Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.39Å; L40-I44 PolarHBondContact O-N 3.43Å; Q42-I44 PolarHBondContact O-N 3.06Å; I44-H48 VanDerWaalsContact O-CB 3.31Å; I44-H48 WeakPolarHBondContact O-CB 3.39Å; I44-H48 PolarHBondContact O-N 3.26Å; I44-H406 VanDerWaalsContact CG2-CE1 3.43Å; I44-H406 WeakPolarHBondContact CG2-CE1 3.46Å
45	H	74.4	Confident	72.5	Confident	54 Å²	54	79.4 Å²	79.4	25%	0.25	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-50.1	177.6	-179.1	59.7	0	0	0	111.4	E41 Q42 A47 H48 T49 P393	E41-H45 WeakPolarHBondContact O-CB 3.11Å; E41-H45 PolarHBondContact O-N 2.96Å; Q42-H45 PolarHBondContact O-N 3.49Å; H45-A47 PolarHBondContact O-N 3.35Å; H45-H48 CarbonylContact O-C 3.57Å; H45-H48 PolarHBondContact O-N 3.23Å; H45-H48 VanDerWaalsContact O-N 3.13Å; H45-T49 VanDerWaalsContact CE1-CG2 3.46Å; H45-T49 WeakPolarHBondContact CE1-CG2 3.08Å; H45-T49 WeakPolarHBondContact NE2-CG2 3.32Å; H45-T49 VanDerWaalsContact O-CG2 3.3Å; H45-T49 WeakPolarHBondContact O-CG2 3.49Å; H45-T49 PolarHBondContact O-N 3.05Å; H45-P393 VanDerWaalsContact CE1-CD 3.49Å; H45-P393 WeakPolarHBondContact CE1-CD 3.26Å; H45-P393 WeakPolarHBondContact CE1-CG 3.43Å
46	D	78.6	Confident	72.8	Confident	83 Å²	83	76.5 Å²	76.5	44%	0.444	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-45	-179.7	-73.2	-16.9	0	0	0	111.3	Q42 H48 T49 Q50	Q42-D46 WeakPolarHBondContact O-CB 3.34Å; Q42-D46 VanDerWaalsContact O-CG 3.27Å; Q42-D46 PolarHBondContact O-N 3Å; D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 PolarHBondContact O-N 2.97Å; D46-T49 PolarHBondContact O-N 3.3Å; D46-T49 PolarHBondContact O-OG1 2.85Å; D46-Q50 WeakPolarHBondContact O-CG 3.46Å; D46-Q50 PolarHBondContact O-N 3.28Å
47	A	78.2	Confident	73	Confident	44 Å²	44	81.3 Å²	81.3	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-45.5	173.1	0	0	0	0	0	111.3	L43 H45 Q50 I51	L43-A47 VanDerWaalsContact O-CB 3.23Å; L43-A47 WeakPolarHBondContact O-CB 3.49Å; L43-A47 PolarHBondContact O-N 2.99Å; H45-A47 PolarHBondContact O-N 3.35Å; A47-Q50 WeakPolarHBondContact O-CB 3.47Å; A47-Q50 PolarHBondContact O-N 3.2Å; A47-I51 WeakPolarHBondContact O-CG1 2.97Å; A47-I51 PolarHBondContact O-N 2.79Å
48	H	79.8	Confident	73.1	Confident	8 Å²	8	82.4 Å²	82.4	4%	0.037	40%	0.401	C	S	.	.	H	α-helix	trans	-65.8	-39.7	177.7	-168.1	-115.1	0	0	0	112.2	I44 H45 D46 Q50 I51 R52 Y395 H406 D409	I44-H48 VanDerWaalsContact O-CB 3.31Å; I44-H48 WeakPolarHBondContact O-CB 3.39Å; I44-H48 PolarHBondContact O-N 3.26Å; H45-H48 CarbonylContact O-C 3.57Å; H45-H48 PolarHBondContact O-N 3.23Å; H45-H48 VanDerWaalsContact O-N 3.13Å; D46-H48 VanDerWaalsContact C-N 3.32Å; D46-H48 PolarHBondContact O-N 2.97Å; H48-Q50 VanDerWaalsContact C-N 3.3Å; H48-Q50 PolarHBondContact O-N 2.82Å; H48-I51 PolarHBondContact O-N 3.07Å; H48-R52 VanDerWaalsContact O-CG 3.32Å; H48-R52 WeakPolarHBondContact O-CG 3.46Å; H48-R52 PolarHBondContact O-N 3.03Å; H48-Y395 AromaticContact CE1-CD2 3.89Å; H48-Y395 AromaticContact CE1-CE1 3.92Å; H48-Y395 AromaticContact CE1-CE2 3.33Å; H48-Y395 WeakPolarHBondContact CE1-CE2 3.26Å; H48-Y395 AromaticContact CE1-CZ 3.35Å; H48-Y395 AromaticContact ND1-CE1 3.95Å; H48-Y395 AromaticContact ND1-CE2 3.35Å; H48-Y395 VanDerWaalsContact ND1-CE2 3.35Å; H48-Y395 WeakPolarHBondContact ND1-CE2 3.49Å; H48-Y395 AromaticContact ND1-CZ 3.11Å; H48-Y395 PolarHBondContact ND1-OH 3.44Å; H48-H406 HydrophobicContact CB-CB 4.42Å; H48-H406 PolarHBondContact NE2-O 3.31Å; H48-D409 IonicContact CE1-OD2 3.9Å; H48-D409 PolarHBondContact CE1-OD2 2.77Å; H48-D409 IonicContact NE2-OD2 3.35Å; H48-D409 PolarHBondContact NE2-OD2 2.78Å
49	T	79.8	Confident	73	Confident	34 Å²	34	79.9 Å²	79.9	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-34.8	174.7	69.9	0	0	0	0	112.3	H45 D46 R52 K53	H45-T49 VanDerWaalsContact CE1-CG2 3.46Å; H45-T49 WeakPolarHBondContact CE1-CG2 3.08Å; H45-T49 WeakPolarHBondContact NE2-CG2 3.32Å; H45-T49 VanDerWaalsContact O-CG2 3.3Å; H45-T49 WeakPolarHBondContact O-CG2 3.49Å; H45-T49 PolarHBondContact O-N 3.05Å; D46-T49 PolarHBondContact O-N 3.3Å; D46-T49 PolarHBondContact O-OG1 2.85Å; T49-R52 PolarHBondContact O-N 3.33Å; T49-K53 WeakPolarHBondContact O-CB 3.36Å; T49-K53 VanDerWaalsContact O-CG 3.29Å; T49-K53 WeakPolarHBondContact O-CG 3.38Å; T49-K53 PolarHBondContact O-N 2.86Å
50	Q	79	Confident	72	Confident	130 Å²	130	81.7 Å²	81.7	61%	0.607	40%	0.402	S	S	*	.	H	α-helix	trans	-65.2	-44.8	174.3	-70.9	179.2	18.9	0	0	111.5	D46 A47 H48 R52 K53 K54	D46-Q50 WeakPolarHBondContact O-CG 3.46Å; D46-Q50 PolarHBondContact O-N 3.28Å; A47-Q50 WeakPolarHBondContact O-CB 3.47Å; A47-Q50 PolarHBondContact O-N 3.2Å; H48-Q50 VanDerWaalsContact C-N 3.3Å; H48-Q50 PolarHBondContact O-N 2.82Å; Q50-R52 VanDerWaalsContact C-N 3.3Å; Q50-R52 PolarHBondContact O-N 3.44Å; Q50-K53 PolarHBondContact O-N 3.47Å; Q50-K54 WeakPolarHBondContact O-CB 3.34Å; Q50-K54 PolarHBondContact O-N 2.85Å
51	I	77	Confident	70.9	Confident	70 Å²	70	78.7 Å²	78.7	36%	0.359	40%	0.402	S	S	.	.	H	α-helix	trans	-56.9	-46.5	173.6	-66.4	166.7	0	0	0	109.9	A47 H48 K54 R55	A47-I51 WeakPolarHBondContact O-CG1 2.97Å; A47-I51 PolarHBondContact O-N 2.79Å; H48-I51 PolarHBondContact O-N 3.07Å; I51-K54 WeakPolarHBondContact O-CB 3.36Å; I51-K54 PolarHBondContact O-N 2.94Å; I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.03Å
52	R	79.2	Confident	70	Confident	13 Å²	13	76.2 Å²	76.2	5%	0.049	40%	0.395	C	S	.	.	H	α-helix	trans	-64.9	-41.4	177.4	-67.1	-176.5	76.9	73.5	13.4	113	H48 T49 Q50 K54 R55 R56 F344 D409	H48-R52 VanDerWaalsContact O-CG 3.32Å; H48-R52 WeakPolarHBondContact O-CG 3.46Å; H48-R52 PolarHBondContact O-N 3.03Å; T49-R52 PolarHBondContact O-N 3.33Å; Q50-R52 VanDerWaalsContact C-N 3.3Å; Q50-R52 PolarHBondContact O-N 3.44Å; R52-K54 VanDerWaalsContact C-N 3.27Å; R52-K54 PolarHBondContact O-N 2.79Å; R52-R55 PolarHBondContact O-N 3.11Å; R52-R56 WeakPolarHBondContact O-CB 3.28Å; R52-R56 WeakPolarHBondContact O-CG 3.48Å; R52-R56 PolarHBondContact O-N 2.94Å; R52-F344 PolarHBondContact NH2-O 3.44Å; R52-D409 IonicContact CZ-OD1 2.6Å; R52-D409 IonicContact CZ-OD2 2.63Å; R52-D409 IonicContact NH1-OD1 3.22Å; R52-D409 PolarHBondContact NH1-OD1 3.26Å; R52-D409 IonicContact NH1-OD2 3.54Å; R52-D409 PolarHBondContact NH1-OD2 3.2Å
53	K	77.7	Confident	68.9	Low	123 Å²	123	77.1 Å²	77.1	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-40.5	174.7	-78.5	174.1	-177.2	174.6	0	110.5	T49 Q50 R56 R57	T49-K53 WeakPolarHBondContact O-CB 3.36Å; T49-K53 VanDerWaalsContact O-CG 3.29Å; T49-K53 WeakPolarHBondContact O-CG 3.38Å; T49-K53 PolarHBondContact O-N 2.86Å; Q50-K53 PolarHBondContact O-N 3.47Å; K53-R56 PolarHBondContact O-N 3.1Å; K53-R57 WeakPolarHBondContact O-CG 3.42Å; K53-R57 PolarHBondContact O-N 3.24Å
54	K	74	Confident	67.9	Low	65 Å²	65	75 Å²	75	28%	0.283	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-50.5	174.6	-178.9	177.2	175.2	177.7	0	111.5	Q50 I51 R52 R56 R57 I58 D245	Q50-K54 WeakPolarHBondContact O-CB 3.34Å; Q50-K54 PolarHBondContact O-N 2.85Å; I51-K54 WeakPolarHBondContact O-CB 3.36Å; I51-K54 PolarHBondContact O-N 2.94Å; R52-K54 VanDerWaalsContact C-N 3.27Å; R52-K54 PolarHBondContact O-N 2.79Å; K54-R56 VanDerWaalsContact C-N 3.26Å; K54-R56 PolarHBondContact O-N 3.18Å; K54-R57 PolarHBondContact O-N 3.22Å; K54-I58 HydrophobicContact CG-CD1 3.96Å; K54-I58 WeakPolarHBondContact O-CG1 3.23Å; K54-I58 PolarHBondContact O-N 2.96Å; K54-D245 WeakPolarHBondContact CE-OD1 3.3Å; K54-D245 WeakPolarHBondContact CE-OD2 3.47Å; K54-D245 IonicContact NZ-OD1 3.26Å; K54-D245 PolarHBondContact NZ-OD1 3.35Å; K54-D245 IonicContact NZ-OD2 3.93Å; K54-D245 PolarHBondContact NZ-OD2 2.88Å
55	R	74.7	Confident	67.3	Low	34 Å²	34	81.8 Å²	81.8	13%	0.128	44%	0.437	C	S	.	.	H	α-helix	trans	-56.6	-40.6	175.1	-69.2	179.7	-173.7	151.7	6.3	112.1	I51 R52 I58 G59 L343 D409 H413 D414	I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.03Å; R52-R55 PolarHBondContact O-N 3.11Å; R55-I58 PolarHBondContact O-N 3.33Å; R55-G59 PolarHBondContact O-N 3.48Å; R55-L343 HydrophobicContact CB-CD2 3.99Å; R55-D409 IonicContact NH1-OD2 2.81Å; R55-D409 PolarHBondContact NH1-OD2 2.99Å; R55-H413 VanDerWaalsContact CZ-CB 3.46Å; R55-D414 IonicContact CZ-OD1 2.73Å; R55-D414 IonicContact NE-OD1 3.17Å; R55-D414 PolarHBondContact NE-OD1 3.17Å; R55-D414 IonicContact NH2-OD1 3.53Å; R55-D414 PolarHBondContact NH2-OD1 2.92Å; R55-D414 IonicContact NH2-OD2 3.3Å; R55-D414 PolarHBondContact NH2-OD2 3.29Å
56	R	67.5	Low	67.4	Low	120 Å²	120	81.6 Å²	81.6	45%	0.453	44%	0.44	S	S	.	.	H	α-helix	trans	-60.8	-50	172.2	-76.9	-178.3	178.9	-171.2	-1.2	111	R52 K53 K54 I58 G59 V60 L343	R52-R56 WeakPolarHBondContact O-CB 3.28Å; R52-R56 WeakPolarHBondContact O-CG 3.48Å; R52-R56 PolarHBondContact O-N 2.94Å; K53-R56 PolarHBondContact O-N 3.1Å; K54-R56 VanDerWaalsContact C-N 3.26Å; K54-R56 PolarHBondContact O-N 3.18Å; R56-I58 VanDerWaalsContact C-N 3.28Å; R56-I58 PolarHBondContact O-N 3.28Å; R56-G59 CarbonylContact O-C 3.44Å; R56-G59 PolarHBondContact O-N 3.13Å; R56-G59 VanDerWaalsContact O-N 3.07Å; R56-V60 HydrophobicContact CB-CG2 4.32Å; R56-V60 WeakPolarHBondContact O-CA 3.19Å; R56-V60 WeakPolarHBondContact O-CB 3.34Å; R56-V60 WeakPolarHBondContact O-CG2 3.36Å; R56-V60 PolarHBondContact O-N 3.5Å; R56-L343 HydrophobicContact CB-CD1 4.43Å; R56-L343 HydrophobicContact CG-CD1 3.51Å
57	R	65.5	Low	67.4	Low	197 Å²	197	85.9 Å²	85.9	74%	0.743	45%	0.449	S	S	*	.	H	α-helix	trans	-58.3	-41.1	178.9	-69.9	179.1	-145.5	168.4	3.9	112.8	K53 K54 G59	K53-R57 WeakPolarHBondContact O-CG 3.42Å; K53-R57 PolarHBondContact O-N 3.24Å; K54-R57 PolarHBondContact O-N 3.22Å; R57-G59 VanDerWaalsContact C-N 3.34Å
58	I	61.2	Low	67.5	Low	108 Å²	108	85.7 Å²	85.7	55%	0.554	44%	0.442	S	S	*	.	H	α-helix	trans	-66.4	-40	176.8	-61.9	168.6	0	0	0	110.2	K54 R55 R56	K54-I58 HydrophobicContact CG-CD1 3.96Å; K54-I58 WeakPolarHBondContact O-CG1 3.23Å; K54-I58 PolarHBondContact O-N 2.96Å; R55-I58 PolarHBondContact O-N 3.33Å; R56-I58 VanDerWaalsContact C-N 3.28Å; R56-I58 PolarHBondContact O-N 3.28Å
59	G	56.4	Low	67.6	Low	29 Å²	29	85.8 Å²	85.8	30%	0.299	45%	0.445	S	S	.	.	H	α-helix	trans	-82.2	-17	178.7	0	0	0	0	0	115.9	R55 R56 R57 G61 S62 T63	R55-G59 PolarHBondContact O-N 3.48Å; R56-G59 CarbonylContact O-C 3.44Å; R56-G59 PolarHBondContact O-N 3.13Å; R56-G59 VanDerWaalsContact O-N 3.07Å; R57-G59 VanDerWaalsContact C-N 3.34Å; G59-G61 PolarHBondContact O-N 2.78Å; G59-S62 CarbonylContact O-C 3.5Å; G59-S62 WeakPolarHBondContact O-CA 3.15Å; G59-S62 PolarHBondContact O-N 2.94Å; G59-T63 PolarHBondContact O-N 3.03Å
60	V	46	Very low	67.9	Low	108 Å²	108	86.6 Å²	86.6	66%	0.655	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-4.8	-173.5	160.5	0	0	0	0	112.4	R56	R56-V60 HydrophobicContact CB-CG2 4.32Å; R56-V60 WeakPolarHBondContact O-CA 3.19Å; R56-V60 WeakPolarHBondContact O-CB 3.34Å; R56-V60 WeakPolarHBondContact O-CG2 3.36Å; R56-V60 PolarHBondContact O-N 3.5Å
61	G	47.4	Very low	68.3	Low	66 Å²	66	81.7 Å²	81.7	68%	0.68	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.9	161.5	0	0	0	0	0	114.4	G59	G59-G61 PolarHBondContact O-N 2.78Å
62	S	50.5	Low	69	Low	44 Å²	44	78.5 Å²	78.5	31%	0.308	41%	0.408	S	S	.	.			trans	-112.4	15.9	-172.6	-165.9	0	0	0	0	113.1	G59 G64	G59-S62 CarbonylContact O-C 3.5Å; G59-S62 WeakPolarHBondContact O-CA 3.15Å; G59-S62 PolarHBondContact O-N 2.94Å; S62-G64 PolarHBondContact O-N 2.85Å
63	T	47.3	Very low	69.8	Low	131 Å²	131	78.2 Å²	78.2	80%	0.804	41%	0.407	S	S	*	.	S	Bend	trans	-70.3	83.8	167.3	54.1	0	0	0	0	108.5	G59	G59-T63 PolarHBondContact O-N 3.03Å
64	G	55.7	Low	70.6	Confident	49 Å²	49	72.4 Å²	72.4	51%	0.505	38%	0.382	S	S	.	.	S	Bend	trans	145.8	162.5	-177.4	0	0	0	0	0	112.3	S62 V66	S62-G64 PolarHBondContact O-N 2.85Å; G64-V66 PolarHBondContact O-N 2.95Å
65	F	64	Low	71.8	Confident	208 Å²	208	69.3 Å²	69.3	91%	0.912	37%	0.369	S	S	*	.			trans	-69.9	90.3	174.7	-62.7	-79.8	0	0	0	110
66	V	75.3	Confident	72.9	Confident	50 Å²	50	67.7 Å²	67.7	30%	0.303	36%	0.363	S	S	.	.			trans	-85.1	143.3	174.7	-66.7	0	0	0	0	110.6	G64 L68 V251	G64-V66 PolarHBondContact O-N 2.95Å; V66-L68 HydrophobicContact CG2-CD2 4.01Å; V66-L68 HydrophobicContact CG2-CG 4.5Å; V66-V251 HydrophobicContact CB-CG1 4.32Å; V66-V251 HydrophobicContact CG2-CG2 4.45Å
67	R	78.5	Confident	74.3	Confident	173 Å²	173	62 Å²	62	65%	0.653	34%	0.341	S	S	*	.			trans	-80.4	131.5	171.7	-67.2	-178.1	178.3	178.3	-0.5	108.8	A252	R67-A252 HydrophobicContact CB-CB 4.3Å; R67-A252 PolarHBondContact O-N 2.86Å
68	L	82.2	Confident	75.9	Confident	39 Å²	39	52.6 Å²	52.6	20%	0.204	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-111.7	143.7	-179.7	-59.9	176.4	0	0	0	110.4	V66 M70 P249 V251 H337	V66-L68 HydrophobicContact CG2-CD2 4.01Å; V66-L68 HydrophobicContact CG2-CG 4.5Å; L68-M70 VanDerWaalsContact C-N 3.32Å; L68-M70 PolarHBondContact O-N 2.83Å; L68-P249 HydrophobicContact CB-CB 4.45Å; L68-P249 HydrophobicContact CB-CG 4.34Å; L68-P249 HydrophobicContact CD1-CG 4.19Å; L68-V251 HydrophobicContact CD2-CG2 4.26Å; L68-H337 HydrophobicContact CD1-CB 3.84Å; L68-H337 VanDerWaalsContact CD1-O 3.25Å; L68-H337 WeakPolarHBondContact CD1-O 3.43Å
69	G	81.6	Confident	77.6	Confident	10 Å²	10	47.5 Å²	47.5	10%	0.103	28%	0.279	C	S	.	.			trans	-76.6	79.8	169.9	0	0	0	0	0	110.7	R72 P249 P250	G69-R72 WeakPolarHBondContact O-CG 3.47Å; G69-P249 WeakPolarHBondContact O-CB 3.43Å; G69-P250 PolarHBondContact N-O 2.81Å
70	M	84.8	Confident	79.5	Confident	52 Å²	52	46.1 Å²	46.1	26%	0.256	27%	0.265	S	S	.	.			trans	-68.5	-37	-174.1	-68.3	-166.8	79.1	0	0	114	L68 I114 S115 A334 L338	L68-M70 VanDerWaalsContact C-N 3.32Å; L68-M70 PolarHBondContact O-N 2.83Å; M70-I114 HydrophobicContact CB-CD1 4.42Å; M70-S115 PolarHBondContact O-OG 3.02Å; M70-A334 HydrophobicContact CE-CB 3.52Å; M70-L338 HydrophobicContact CE-CD1 4.18Å; M70-L338 HydrophobicContact CE-CD2 4.46Å; M70-L338 HydrophobicContact CE-CG 4.24Å; M70-L338 HydrophobicContact SD-CD1 4.05Å; M70-L338 HydrophobicContact SD-CD2 3.81Å; M70-L338 HydrophobicContact SD-CG 4.16Å
71	M	88.4	Confident	81.9	Confident	27 Å²	27	41 Å²	41	13%	0.133	23%	0.234	C	C	.	.	S	Bend	trans	-93.2	108.6	174.9	-67.8	-175.5	74.5	0	0	108.8	I114 H174 H175 I261 M263	M71-I114 HydrophobicContact CG-CD1 3.79Å; M71-I114 HydrophobicContact CG-CG1 4.3Å; M71-H174 HydrophobicContact CB-CB 4.4Å; M71-H174 VanDerWaalsContact CE-CE1 3.42Å; M71-H174 WeakPolarHBondContact CE-CE1 3.36Å; M71-H175 PolarHBondContact O-N 3.05Å; M71-H175 VanDerWaalsContact O-N 3.09Å; M71-I261 HydrophobicContact CE-CD1 4.34Å; M71-I261 HydrophobicContact SD-CD1 3.45Å; M71-I261 WeakPolarHBondContact SD-CD1 3.36Å; M71-M263 HydrophobicContact SD-CE 3.98Å
72	R	92.1	Very high	84.2	Confident	2 Å²	2	44 Å²	44	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.9	-173	-58.3	166.8	64.6	-166.8	3.7	110.3	G69 Y108 N112 S115 Q116 H175 E177 L246 V247 P248	G69-R72 WeakPolarHBondContact O-CG 3.47Å; R72-Y108 WeakPolarHBondContact CB-OH 3.43Å; R72-N112 PolarHBondContact NH1-OD1 3.34Å; R72-S115 WeakPolarHBondContact CB-OG 3.49Å; R72-S115 PolarHBondContact N-OG 3.2Å; R72-S115 CarbonylContact O-C 3.56Å; R72-S115 WeakPolarHBondContact O-CA 3.34Å; R72-S115 VanDerWaalsContact O-CB 3.28Å; R72-S115 WeakPolarHBondContact O-CB 3.42Å; R72-Q116 PolarHBondContact O-N 2.9Å; R72-H175 WeakPolarHBondContact CA-O 3.43Å; R72-E177 IonicContact CZ-OE1 3.9Å; R72-E177 IonicContact CZ-OE2 3.29Å; R72-E177 IonicContact NE-OE1 3.01Å; R72-E177 PolarHBondContact NE-OE1 3.44Å; R72-E177 IonicContact NE-OE2 2.74Å; R72-E177 PolarHBondContact NE-OE2 3.29Å; R72-E177 IonicContact NH2-OE1 3.92Å; R72-E177 IonicContact NH2-OE2 3.77Å; R72-E177 PolarHBondContact NH2-OE2 3.07Å; R72-L246 PolarHBondContact NH2-O 2.82Å; R72-V247 PolarHBondContact NH1-O 2.87Å; R72-P248 PolarHBondContact NH1-O 3.49Å
73	H	94.1	Very high	86.3	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	106.2	170.3	-73.6	-166.4	0	0	0	107.8	L133 L169 T172 H174 H175 E177	H73-L133 HydrophobicContact CB-CD1 4.41Å; H73-L133 HydrophobicContact CB-CD2 4.04Å; H73-L169 HydrophobicContact CB-CD2 3.7Å; H73-T172 VanDerWaalsContact ND1-CG2 3.33Å; H73-T172 WeakPolarHBondContact ND1-CG2 3.06Å; H73-H174 AromaticContact CE1-CD2 3.28Å; H73-H174 PolarHBondContact CE1-CD2 3.02Å; H73-H174 AromaticContact ND1-CD2 3.93Å; H73-H174 AromaticContact NE2-CD2 3.35Å; H73-H174 PolarHBondContact NE2-CD2 3.24Å; H73-H174 AromaticContact NE2-CG 3.92Å; H73-H175 PolarHBondContact N-O 2.97Å; H73-E177 PolarHBondContact O-N 3.31Å
74	L	96.2	Very high	88.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.1	-173.5	-173.4	150	0	0	0	110.8	L76 F104 Y108 Q116 L117 G118 E177 V179	L74-L76 HydrophobicContact CD2-CB 4.19Å; L74-F104 HydrophobicContact CD1-CZ 4.03Å; L74-F104 HydrophobicContact CD2-CE1 4.24Å; L74-Y108 HydrophobicContact CB-CE2 4.49Å; L74-Y108 HydrophobicContact CD1-CE2 3.91Å; L74-Q116 PolarHBondContact N-O 3.45Å; L74-L117 HydrophobicContact CD2-CD1 3.87Å; L74-L117 HydrophobicContact CD2-CG 4.11Å; L74-L117 CarbonylContact O-C 3.6Å; L74-L117 VanDerWaalsContact O-CA 3.26Å; L74-L117 WeakPolarHBondContact O-CA 3.29Å; L74-G118 PolarHBondContact O-N 3.01Å; L74-E177 CarbonylContact C-O 3.57Å; L74-E177 WeakPolarHBondContact CA-O 3.33Å; L74-E177 HydrophobicContact CB-CB 4.35Å; L74-E177 HydrophobicContact CD1-CB 4.37Å; L74-E177 HydrophobicContact CG-CB 4.26Å; L74-V179 HydrophobicContact CD1-CG2 3.85Å; L74-V179 HydrophobicContact CD2-CG2 4.38Å; L74-V179 HydrophobicContact CG-CG2 4.24Å
75	F	97.9	Very high	90.5	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.9	163	-85	-75.9	0	0	0	110.7	G118 I120 L133 A165 R168 L169 E177 I178 V179	F75-G118 CarbonylContact C-O 3.55Å; F75-G118 WeakPolarHBondContact CA-O 3.42Å; F75-I120 HydrophobicContact CD1-CD1 3.66Å; F75-I120 HydrophobicContact CD1-CG1 3.93Å; F75-I120 HydrophobicContact CE1-CD1 4.07Å; F75-I120 HydrophobicContact CE1-CG1 4.29Å; F75-I120 HydrophobicContact CG-CD1 4.16Å; F75-L133 HydrophobicContact CE2-CD1 4.36Å; F75-L133 HydrophobicContact CZ-CB 4.17Å; F75-L133 HydrophobicContact CZ-CD1 4.46Å; F75-A165 HydrophobicContact CB-CB 4.04Å; F75-A165 HydrophobicContact CD2-CB 3.86Å; F75-A165 HydrophobicContact CG-CB 3.95Å; F75-R168 HydrophobicContact CE2-CB 3.97Å; F75-R168 HydrophobicContact CZ-CB 4.13Å; F75-R168 HydrophobicContact CZ-CG 4.37Å; F75-L169 HydrophobicContact CD2-CD1 3.86Å; F75-L169 HydrophobicContact CD2-CD2 3.92Å; F75-L169 HydrophobicContact CD2-CG 3.76Å; F75-L169 HydrophobicContact CE2-CD2 4.02Å; F75-L169 HydrophobicContact CE2-CG 3.93Å; F75-E177 PolarHBondContact N-O 2.74Å; F75-I178 HydrophobicContact CB-CG1 4.48Å; F75-I178 CarbonylContact O-C 3.54Å; F75-I178 WeakPolarHBondContact O-CA 3.35Å; F75-V179 PolarHBondContact O-N 2.86Å
76	L	98	Very high	91.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.3	170.2	-176	64.6	0	0	0	108.8	L74 I78 A101 G118 I119 I120 V179 L181	L74-L76 HydrophobicContact CD2-CB 4.19Å; L76-I78 HydrophobicContact CD2-CD1 4Å; L76-I78 HydrophobicContact CD2-CG1 4.3Å; L76-I78 HydrophobicContact CG-CD1 4.26Å; L76-I78 HydrophobicContact CG-CG1 4.02Å; L76-A101 HydrophobicContact CD2-CB 4.08Å; L76-G118 PolarHBondContact N-O 3.02Å; L76-I119 WeakPolarHBondContact O-CA 3.25Å; L76-I120 PolarHBondContact O-N 3.09Å; L76-V179 CarbonylContact C-O 3.54Å; L76-V179 WeakPolarHBondContact CA-O 3.2Å; L76-V179 HydrophobicContact CD1-CB 4.04Å; L76-V179 HydrophobicContact CD1-CG1 3.93Å; L76-L181 HydrophobicContact CD1-CD1 4.02Å; L76-L181 HydrophobicContact CD1-CG 4.05Å
77	I	98.2	Very high	92.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124	175.4	-59.9	175.9	0	0	0	108.4	I120 T122 A161 L162 I178 V179 V180 L181	I77-I120 CarbonylContact C-O 3.58Å; I77-I120 VanDerWaalsContact CA-O 3.28Å; I77-I120 WeakPolarHBondContact CA-O 3.45Å; I77-I120 HydrophobicContact CG1-CB 4.16Å; I77-I120 HydrophobicContact CG1-CG2 4.49Å; I77-T122 HydrophobicContact CG2-CG2 4.39Å; I77-A161 HydrophobicContact CD1-CB 3.88Å; I77-A161 HydrophobicContact CG1-CB 4.39Å; I77-A161 HydrophobicContact CG2-CB 3.77Å; I77-L162 HydrophobicContact CD1-CD2 4.08Å; I77-I178 HydrophobicContact CD1-CG2 3.49Å; I77-I178 VanDerWaalsContact CD1-CG2 3.49Å; I77-I178 HydrophobicContact CG1-CG2 4.03Å; I77-V179 PolarHBondContact N-O 3.31Å; I77-V180 HydrophobicContact CB-CB 4.46Å; I77-V180 HydrophobicContact CB-CG1 4.08Å; I77-V180 HydrophobicContact CB-CG2 4.4Å; I77-V180 HydrophobicContact CD1-CG2 4.25Å; I77-V180 HydrophobicContact CG2-CG1 4.01Å; I77-L181 PolarHBondContact O-N 3.03Å
78	I	97.7	Very high	93.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.5	-179	-53.8	-179.8	0	0	0	110	L76 M84 T97 A101 I119 I120 V121 T122 L144 L147 L181	L76-I78 HydrophobicContact CD2-CD1 4Å; L76-I78 HydrophobicContact CD2-CG1 4.3Å; L76-I78 HydrophobicContact CG-CD1 4.26Å; L76-I78 HydrophobicContact CG-CG1 4.02Å; I78-M84 HydrophobicContact CG2-CE 4.14Å; I78-T97 HydrophobicContact CG2-CG2 4.44Å; I78-A101 HydrophobicContact CD1-CB 4.43Å; I78-I119 HydrophobicContact CD1-CG2 4.33Å; I78-I120 PolarHBondContact N-O 2.85Å; I78-V121 HydrophobicContact CB-CG1 4.47Å; I78-V121 VanDerWaalsContact O-CA 3.29Å; I78-V121 WeakPolarHBondContact O-CA 3.37Å; I78-T122 PolarHBondContact O-N 2.74Å; I78-L144 HydrophobicContact CD1-CD2 3.47Å; I78-L144 VanDerWaalsContact CD1-CD2 3.47Å; I78-L147 HydrophobicContact CD1-CD1 4.19Å; I78-L181 HydrophobicContact CG1-CD1 4.33Å
79	D	97.2	Very high	94	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132	171.2	-172.3	0.7	0	0	0	111.3	S81 M84 T122 L181 M182 A183 S184	D79-S81 WeakPolarHBondContact OD1-CA 3.48Å; D79-S81 WeakPolarHBondContact OD1-CB 3.47Å; D79-S81 PolarHBondContact OD1-N 2.94Å; D79-S81 PolarHBondContact OD1-OG 2.89Å; D79-S81 PolarHBondContact OD2-OG 3.3Å; D79-S81 VanDerWaalsContact OD2-OG 3.07Å; D79-M84 WeakPolarHBondContact O-CE 3.44Å; D79-M84 VanDerWaalsContact O-CG 3.3Å; D79-M84 WeakPolarHBondContact O-CG 3.28Å; D79-T122 HydrophobicContact CB-CG2 4.49Å; D79-L181 VanDerWaalsContact CB-O 3.25Å; D79-L181 WeakPolarHBondContact CB-O 3.42Å; D79-L181 PolarHBondContact N-O 3.32Å; D79-M182 HydrophobicContact CB-SD 4.02Å; D79-A183 PolarHBondContact OD2-N 3.48Å; D79-S184 PolarHBondContact OD2-N 2.76Å
80	L	96.7	Very high	94.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.176	C	C	.	.			trans	-126.7	26.1	172.7	-67.6	-178	0	0	0	111	L94 V121 T122 L147 R150 C152 I153	L80-L94 HydrophobicContact CD2-CD1 3.37Å; L80-V121 HydrophobicContact CD1-CB 3.65Å; L80-V121 HydrophobicContact CD1-CG1 3.88Å; L80-V121 HydrophobicContact CD1-CG2 4.02Å; L80-V121 HydrophobicContact CG-CB 4.17Å; L80-V121 HydrophobicContact CG-CG1 4.42Å; L80-T122 PolarHBondContact N-O 3.35Å; L80-L147 HydrophobicContact CD1-CD2 3.93Å; L80-R150 HydrophobicContact CD1-CG 4.47Å; L80-C152 CarbonylContact O-C 3.48Å; L80-C152 WeakPolarHBondContact O-CA 3.36Å; L80-I153 PolarHBondContact O-N 2.93Å; L80-I153 VanDerWaalsContact O-N 3.09Å
81	S	95.8	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-69.1	169.3	172.5	66.3	0	0	0	0	112.8	D79 A83 M84 C152 G154	D79-S81 WeakPolarHBondContact OD1-CA 3.48Å; D79-S81 WeakPolarHBondContact OD1-CB 3.47Å; D79-S81 PolarHBondContact OD1-N 2.94Å; D79-S81 PolarHBondContact OD1-OG 2.89Å; D79-S81 PolarHBondContact OD2-OG 3.3Å; D79-S81 VanDerWaalsContact OD2-OG 3.07Å; S81-A83 PolarHBondContact O-N 3.3Å; S81-A83 VanDerWaalsContact O-N 3.09Å; S81-M84 WeakPolarHBondContact O-CB 3.28Å; S81-M84 PolarHBondContact O-N 3.48Å; S81-C152 WeakPolarHBondContact O-CB 3.44Å; S81-G154 CarbonylContact C-O 3.59Å; S81-G154 VanDerWaalsContact CA-O 3.28Å; S81-G154 WeakPolarHBondContact CA-O 3.39Å; S81-G154 WeakPolarHBondContact CB-O 3.2Å
82	Q	95.4	Very high	95	Very high	130 Å²	130	37.5 Å²	37.5	61%	0.607	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-56.4	-27.8	178.5	-173.5	173.4	-5.2	0	0	113.4	M84 N85 G154	Q82-M84 PolarHBondContact O-N 3.03Å; Q82-M84 VanDerWaalsContact O-N 3.15Å; Q82-N85 WeakPolarHBondContact O-CB 3.3Å; Q82-N85 PolarHBondContact O-N 2.77Å; Q82-N85 VanDerWaalsContact O-N 3.08Å; Q82-N85 PolarHBondContact O-ND2 2.96Å; Q82-G154 PolarHBondContact N-O 2.79Å
83	A	95.1	Very high	95.2	Very high	14 Å²	14	37.8 Å²	37.8	12%	0.116	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-61	-20.7	177.4	0	0	0	0	0	113.5	S81 N85 E86 R93 A183	S81-A83 PolarHBondContact O-N 3.3Å; S81-A83 VanDerWaalsContact O-N 3.09Å; A83-N85 PolarHBondContact O-N 3.1Å; A83-E86 PolarHBondContact O-N 3.14Å; A83-R93 WeakPolarHBondContact O-CD 3.48Å; A83-R93 PolarHBondContact O-NH1 3.41Å; A83-R93 VanDerWaalsContact O-NH1 3.14Å; A83-A183 HydrophobicContact CB-CB 3.94Å
84	M	96.4	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-72.3	-13.3	176	-77.5	-67.5	-123.6	0	0	114.3	I78 D79 S81 Q82 E86 R93 L94 T97 C152 A183 L212	I78-M84 HydrophobicContact CG2-CE 4.14Å; D79-M84 WeakPolarHBondContact O-CE 3.44Å; D79-M84 VanDerWaalsContact O-CG 3.3Å; D79-M84 WeakPolarHBondContact O-CG 3.28Å; S81-M84 WeakPolarHBondContact O-CB 3.28Å; S81-M84 PolarHBondContact O-N 3.48Å; Q82-M84 PolarHBondContact O-N 3.03Å; Q82-M84 VanDerWaalsContact O-N 3.15Å; M84-E86 VanDerWaalsContact C-N 3.31Å; M84-R93 PolarHBondContact O-N 2.65Å; M84-R93 HydrophobicContact SD-CB 3.78Å; M84-L94 HydrophobicContact CB-CB 4.23Å; M84-L94 HydrophobicContact CE-CD1 4.33Å; M84-L94 PolarHBondContact O-N 3.48Å; M84-L94 VanDerWaalsContact O-N 3.08Å; M84-T97 HydrophobicContact CE-CG2 3.9Å; M84-C152 HydrophobicContact CB-CB 4.2Å; M84-A183 HydrophobicContact CG-CB 3.86Å; M84-A183 HydrophobicContact SD-CB 3.6Å; M84-A183 VanDerWaalsContact SD-CB 3.6Å; M84-L212 HydrophobicContact CE-CD1 4.48Å; M84-L212 HydrophobicContact SD-CD1 3.88Å
85	N	94.8	Very high	95.2	Very high	76 Å²	76	40.7 Å²	40.7	41%	0.406	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-81.9	-9.2	176.5	-66.3	-46.5	0	0	0	113.3	Q82 A83 C152	Q82-N85 WeakPolarHBondContact O-CB 3.3Å; Q82-N85 PolarHBondContact O-N 2.77Å; Q82-N85 VanDerWaalsContact O-N 3.08Å; Q82-N85 PolarHBondContact O-ND2 2.96Å; A83-N85 PolarHBondContact O-N 3.1Å; N85-C152 PolarHBondContact ND2-O 2.91Å
86	E	94.4	Very high	95.1	Very high	86 Å²	86	40.8 Å²	40.8	40%	0.402	21%	0.205	S	C	.	.			trans	-62.4	149.8	176.4	-71.2	-178.3	-134.4	0	0	111.9	A83 M84 N92 R93	A83-E86 PolarHBondContact O-N 3.14Å; M84-E86 VanDerWaalsContact C-N 3.31Å; E86-N92 CarbonylContact O-C 3.58Å; E86-N92 VanDerWaalsContact O-CA 3.22Å; E86-N92 WeakPolarHBondContact O-CA 2.92Å; E86-N92 WeakPolarHBondContact O-CB 3.19Å; E86-R93 HydrophobicContact CB-CG 4.43Å; E86-R93 PolarHBondContact O-N 3.29Å; E86-R93 IonicContact OE1-CZ 2.86Å; E86-R93 IonicContact OE1-NH1 3.19Å; E86-R93 PolarHBondContact OE1-NH1 2.94Å; E86-R93 VanDerWaalsContact OE1-NH1 3.07Å; E86-R93 IonicContact OE2-CZ 3.48Å; E86-R93 IonicContact OE2-NH1 2.77Å; E86-R93 PolarHBondContact OE2-NH1 3.41Å; E86-R93 IonicContact OE2-NH2 2.69Å; E86-R93 PolarHBondContact OE2-NH2 2.86Å
87	Q	93.4	Very high	95.1	Very high	130 Å²	130	40.8 Å²	40.8	61%	0.607	21%	0.205	S	C	*	.	S	Bend	trans	-112.5	21.9	-169.6	-57.5	-175.4	-7.2	0	0	113.6	L89 K90 P91	Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-K90 PolarHBondContact O-NZ 3.47Å; Q87-P91 WeakPolarHBondContact CG-O 3.42Å
88	D	92.8	Very high	95	Very high	81 Å²	81	40.8 Å²	40.8	43%	0.433	21%	0.205	S	C	.	.	S	Bend	trans	-64.6	-40.6	170.7	59.9	-21	0	0	0	111	R93	D88-R93 WeakPolarHBondContact OD1-CD 3.24Å; D88-R93 WeakPolarHBondContact OD1-CG 3.35Å; D88-R93 IonicContact OD1-CZ 2.7Å; D88-R93 IonicContact OD1-NE 3.02Å; D88-R93 PolarHBondContact OD1-NE 2.79Å; D88-R93 IonicContact OD1-NH2 2.68Å; D88-R93 IonicContact OD2-CZ 3.55Å; D88-R93 IonicContact OD2-NE 2.66Å; D88-R93 PolarHBondContact OD2-NE 2.8Å; D88-R93 IonicContact OD2-NH2 2.76Å; D88-R93 PolarHBondContact OD2-NH2 3.45Å
89	L	92	Very high	94.9	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	23%	0.227	C	C	.	.	S	Bend	trans	-93.5	134.2	164.1	-61.4	176.6	0	0	0	109.7	Q87 P91 N92 R93 C96 L212	Q87-L89 VanDerWaalsContact C-N 3.34Å; L89-P91 CarbonylContact O-C 3.59Å; L89-P91 VanDerWaalsContact O-C 3.27Å; L89-N92 CarbonylContact O-C 3.57Å; L89-N92 WeakPolarHBondContact O-CA 3.41Å; L89-N92 PolarHBondContact O-N 3.07Å; L89-N92 VanDerWaalsContact O-N 3.12Å; L89-R93 HydrophobicContact CB-CG 4.36Å; L89-R93 HydrophobicContact CD1-CG 4.32Å; L89-R93 HydrophobicContact CG-CG 4.46Å; L89-C96 HydrophobicContact CB-CB 3.82Å; L89-C96 HydrophobicContact CD1-CB 4.23Å; L89-L212 HydrophobicContact CD1-CD2 4.07Å
90	K	90	Very high	94.9	Very high	141 Å²	141	45.9 Å²	45.9	61%	0.613	23%	0.228	S	C	*	.	S	Bend	trans	-88.8	139.1	-174.1	-60.8	-55.9	-177.1	-163.8	0	112.5	Q87	Q87-K90 PolarHBondContact O-NZ 3.47Å
91	P	92.6	Very high	94.9	Very high	75 Å²	75	45.9 Å²	45.9	49%	0.487	23%	0.228	S	C	.	.	S	Bend	cis	-73.5	-31.6	-8.9	29.9	-35.7	0	0	0	113.7	Q87 L89 I95	Q87-P91 WeakPolarHBondContact CG-O 3.42Å; L89-P91 CarbonylContact O-C 3.59Å; L89-P91 VanDerWaalsContact O-C 3.27Å; P91-I95 HydrophobicContact CG-CB 3.94Å; P91-I95 HydrophobicContact CG-CD1 3.49Å; P91-I95 VanDerWaalsContact CG-CD1 3.49Å; P91-I95 HydrophobicContact CG-CG1 4.29Å; P91-I95 HydrophobicContact CG-CG2 3.89Å
92	N	94.1	Very high	95	Very high	31 Å²	31	46.2 Å²	46.2	17%	0.166	23%	0.23	C	C	.	.			trans	-144	168.1	168.4	62.4	15.2	0	0	0	109.8	E86 L89 L94 I95 C96	E86-N92 CarbonylContact O-C 3.58Å; E86-N92 VanDerWaalsContact O-CA 3.22Å; E86-N92 WeakPolarHBondContact O-CA 2.92Å; E86-N92 WeakPolarHBondContact O-CB 3.19Å; L89-N92 CarbonylContact O-C 3.57Å; L89-N92 WeakPolarHBondContact O-CA 3.41Å; L89-N92 PolarHBondContact O-N 3.07Å; L89-N92 VanDerWaalsContact O-N 3.12Å; N92-L94 VanDerWaalsContact C-N 3.28Å; N92-L94 PolarHBondContact O-N 2.79Å; N92-L94 PolarHBondContact OD1-N 3.15Å; N92-I95 PolarHBondContact O-N 3.35Å; N92-I95 VanDerWaalsContact OD1-CB 3.28Å; N92-I95 WeakPolarHBondContact OD1-CB 3.46Å; N92-I95 WeakPolarHBondContact OD1-CD1 3.22Å; N92-I95 VanDerWaalsContact OD1-CG1 3.22Å; N92-I95 WeakPolarHBondContact OD1-CG1 3.36Å; N92-I95 PolarHBondContact OD1-N 3.44Å; N92-C96 PolarHBondContact O-N 3.34Å
93	R	95.8	Very high	95	Very high	9 Å²	9	42.5 Å²	42.5	3%	0.034	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-39	177.9	-68	-173.4	-179.8	145.5	1.8	112.9	A83 M84 E86 D88 L89 T97 L212	A83-R93 WeakPolarHBondContact O-CD 3.48Å; A83-R93 PolarHBondContact O-NH1 3.41Å; A83-R93 VanDerWaalsContact O-NH1 3.14Å; M84-R93 PolarHBondContact O-N 2.65Å; M84-R93 HydrophobicContact SD-CB 3.78Å; E86-R93 HydrophobicContact CB-CG 4.43Å; E86-R93 PolarHBondContact O-N 3.29Å; E86-R93 IonicContact OE1-CZ 2.86Å; E86-R93 IonicContact OE1-NH1 3.19Å; E86-R93 PolarHBondContact OE1-NH1 2.94Å; E86-R93 VanDerWaalsContact OE1-NH1 3.07Å; E86-R93 IonicContact OE2-CZ 3.48Å; E86-R93 IonicContact OE2-NH1 2.77Å; E86-R93 PolarHBondContact OE2-NH1 3.41Å; E86-R93 IonicContact OE2-NH2 2.69Å; E86-R93 PolarHBondContact OE2-NH2 2.86Å; D88-R93 WeakPolarHBondContact OD1-CD 3.24Å; D88-R93 WeakPolarHBondContact OD1-CG 3.35Å; D88-R93 IonicContact OD1-CZ 2.7Å; D88-R93 IonicContact OD1-NE 3.02Å; D88-R93 PolarHBondContact OD1-NE 2.79Å; D88-R93 IonicContact OD1-NH2 2.68Å; D88-R93 IonicContact OD2-CZ 3.55Å; D88-R93 IonicContact OD2-NE 2.66Å; D88-R93 PolarHBondContact OD2-NE 2.8Å; D88-R93 IonicContact OD2-NH2 2.76Å; D88-R93 PolarHBondContact OD2-NH2 3.45Å; L89-R93 HydrophobicContact CB-CG 4.36Å; L89-R93 HydrophobicContact CD1-CG 4.32Å; L89-R93 HydrophobicContact CG-CG 4.46Å; R93-T97 WeakPolarHBondContact O-CB 2.94Å; R93-T97 PolarHBondContact O-N 3.48Å; R93-T97 PolarHBondContact O-OG1 2.74Å; R93-L212 HydrophobicContact CB-CD1 4Å; R93-L212 HydrophobicContact CG-CD1 4.32Å
94	L	95.8	Very high	95.1	Very high	8 Å²	8	42 Å²	42	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-56.6	178.3	179.7	66.1	0	0	0	111.6	L80 M84 N92 C96 T97 V98	L80-L94 HydrophobicContact CD2-CD1 3.37Å; M84-L94 HydrophobicContact CB-CB 4.23Å; M84-L94 HydrophobicContact CE-CD1 4.33Å; M84-L94 PolarHBondContact O-N 3.48Å; M84-L94 VanDerWaalsContact O-N 3.08Å; N92-L94 VanDerWaalsContact C-N 3.28Å; N92-L94 PolarHBondContact O-N 2.79Å; N92-L94 PolarHBondContact OD1-N 3.15Å; L94-C96 VanDerWaalsContact C-N 3.33Å; L94-C96 PolarHBondContact O-N 3.42Å; L94-T97 PolarHBondContact O-N 3.32Å; L94-V98 HydrophobicContact CD1-CG2 3.87Å; L94-V98 HydrophobicContact CG-CG2 4.29Å; L94-V98 WeakPolarHBondContact O-CB 3.33Å; L94-V98 VanDerWaalsContact O-CG2 3.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.23Å; L94-V98 PolarHBondContact O-N 3.46Å
95	I	95.7	Very high	95.1	Very high	61 Å²	61	42 Å²	42	31%	0.313	21%	0.211	S	C	.	.	H	α-helix	trans	-64.4	-41.9	-173.7	-70.7	165.4	0	0	0	110.4	P91 N92 K99 Y148	P91-I95 HydrophobicContact CG-CB 3.94Å; P91-I95 HydrophobicContact CG-CD1 3.49Å; P91-I95 VanDerWaalsContact CG-CD1 3.49Å; P91-I95 HydrophobicContact CG-CG1 4.29Å; P91-I95 HydrophobicContact CG-CG2 3.89Å; N92-I95 PolarHBondContact O-N 3.35Å; N92-I95 VanDerWaalsContact OD1-CB 3.28Å; N92-I95 WeakPolarHBondContact OD1-CB 3.46Å; N92-I95 WeakPolarHBondContact OD1-CD1 3.22Å; N92-I95 VanDerWaalsContact OD1-CG1 3.22Å; N92-I95 WeakPolarHBondContact OD1-CG1 3.36Å; N92-I95 PolarHBondContact OD1-N 3.44Å; I95-K99 VanDerWaalsContact O-CB 3.25Å; I95-K99 WeakPolarHBondContact O-CB 3.41Å; I95-K99 PolarHBondContact O-N 3.25Å; I95-Y148 HydrophobicContact CB-CE1 4.38Å; I95-Y148 HydrophobicContact CG1-CD1 4.02Å; I95-Y148 HydrophobicContact CG1-CE1 4.26Å; I95-Y148 HydrophobicContact CG2-CE1 4.16Å
96	C	95.6	Very high	95.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-49.8	175.2	-175.8	0	0	0	0	111.3	L89 N92 L94 K99 A100	L89-C96 HydrophobicContact CB-CB 3.82Å; L89-C96 HydrophobicContact CD1-CB 4.23Å; N92-C96 PolarHBondContact O-N 3.34Å; L94-C96 VanDerWaalsContact C-N 3.33Å; L94-C96 PolarHBondContact O-N 3.42Å; C96-K99 PolarHBondContact O-N 2.77Å; C96-A100 WeakPolarHBondContact O-CB 3.25Å; C96-A100 PolarHBondContact O-N 3.17Å
97	T	96.7	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-47.7	-179.6	-57.8	0	0	0	0	112.2	I78 M84 R93 L94 K99 A100 A101 L181 L212	I78-T97 HydrophobicContact CG2-CG2 4.44Å; M84-T97 HydrophobicContact CE-CG2 3.9Å; R93-T97 WeakPolarHBondContact O-CB 2.94Å; R93-T97 PolarHBondContact O-N 3.48Å; R93-T97 PolarHBondContact O-OG1 2.74Å; L94-T97 PolarHBondContact O-N 3.32Å; T97-K99 PolarHBondContact O-N 2.75Å; T97-A100 PolarHBondContact O-N 2.69Å; T97-A101 VanDerWaalsContact O-CB 3.3Å; T97-A101 WeakPolarHBondContact O-CB 3.35Å; T97-A101 PolarHBondContact O-N 2.99Å; T97-L181 HydrophobicContact CG2-CB 4.13Å; T97-L181 HydrophobicContact CG2-CD1 3.57Å; T97-L181 HydrophobicContact CG2-CG 4.45Å; T97-L212 WeakPolarHBondContact OG1-CD1 3.23Å
98	V	96.7	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-40.7	-179.3	175.1	0	0	0	0	111.1	L94 A101 C102 L144 L147 Y148	L94-V98 HydrophobicContact CD1-CG2 3.87Å; L94-V98 HydrophobicContact CG-CG2 4.29Å; L94-V98 WeakPolarHBondContact O-CB 3.33Å; L94-V98 VanDerWaalsContact O-CG2 3.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.23Å; L94-V98 PolarHBondContact O-N 3.46Å; V98-A101 PolarHBondContact O-N 3.39Å; V98-C102 PolarHBondContact O-N 2.78Å; V98-C102 PolarHBondContact O-SG 3.08Å; V98-L144 HydrophobicContact CG1-CB 4.27Å; V98-L144 WeakPolarHBondContact CG1-O 3.48Å; V98-L147 HydrophobicContact CG2-CB 4.04Å; V98-L147 HydrophobicContact CG2-CD1 4.32Å; V98-Y148 HydrophobicContact CB-CD1 4.42Å; V98-Y148 HydrophobicContact CB-CE1 3.77Å; V98-Y148 HydrophobicContact CG1-CD1 4.25Å; V98-Y148 HydrophobicContact CG1-CD2 4.4Å; V98-Y148 HydrophobicContact CG1-CE1 3.66Å; V98-Y148 HydrophobicContact CG1-CE2 3.81Å; V98-Y148 VanDerWaalsContact CG1-CZ 3.4Å
99	K	96.3	Very high	95.2	Very high	105 Å²	105	34 Å²	34	46%	0.457	16%	0.163	S	C	.	.	H	α-helix	trans	-63.4	-43.2	175.9	-175.8	-177.3	178.6	-171.1	0	111.8	I95 C96 T97 C102 T103 Y148 E236	I95-K99 VanDerWaalsContact O-CB 3.25Å; I95-K99 WeakPolarHBondContact O-CB 3.41Å; I95-K99 PolarHBondContact O-N 3.25Å; C96-K99 PolarHBondContact O-N 2.77Å; T97-K99 PolarHBondContact O-N 2.75Å; K99-C102 PolarHBondContact O-N 3.29Å; K99-T103 PolarHBondContact O-N 3.31Å; K99-T103 PolarHBondContact O-OG1 2.77Å; K99-Y148 PolarHBondContact N-OH 2.78Å; K99-E236 IonicContact NZ-OE1 2.65Å
100	A	96.4	Very high	95.1	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-44	176.2	0	0	0	0	0	111.3	C96 T97 C102 T103 F104 L239 K240 L243	C96-A100 WeakPolarHBondContact O-CB 3.25Å; C96-A100 PolarHBondContact O-N 3.17Å; T97-A100 PolarHBondContact O-N 2.69Å; A100-C102 PolarHBondContact O-N 3.48Å; A100-T103 WeakPolarHBondContact O-CB 3.31Å; A100-T103 PolarHBondContact O-N 3.06Å; A100-T103 VanDerWaalsContact O-N 3.13Å; A100-F104 PolarHBondContact O-N 2.94Å; A100-L239 HydrophobicContact CB-CD2 3.8Å; A100-L239 HydrophobicContact CB-CG 3.94Å; A100-K240 HydrophobicContact CB-CG 4.39Å; A100-L243 HydrophobicContact CB-CD1 3.64Å
101	A	97.1	Very high	95	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-40.6	174.9	0	0	0	0	0	112.6	L76 I78 T97 V98 T103 F104 V105 L144 L181	L76-A101 HydrophobicContact CD2-CB 4.08Å; I78-A101 HydrophobicContact CD1-CB 4.43Å; T97-A101 VanDerWaalsContact O-CB 3.3Å; T97-A101 WeakPolarHBondContact O-CB 3.35Å; T97-A101 PolarHBondContact O-N 2.99Å; V98-A101 PolarHBondContact O-N 3.39Å; A101-T103 VanDerWaalsContact C-N 3.28Å; A101-T103 PolarHBondContact O-N 3.5Å; A101-F104 WeakPolarHBondContact O-CB 3.23Å; A101-F104 PolarHBondContact O-N 3.5Å; A101-V105 WeakPolarHBondContact O-CG2 3.38Å; A101-V105 PolarHBondContact O-N 3.35Å; A101-L144 HydrophobicContact CB-CD1 4.13Å; A101-L144 HydrophobicContact CB-CD2 4.21Å; A101-L181 HydrophobicContact CB-CD1 4.46Å
102	C	97.3	Very high	94.9	Very high	7 Å²	7	29.2 Å²	29.2	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-35.9	175.3	-70.7	0	0	0	0	112.3	V98 K99 A100 R106 L141 L144	V98-C102 PolarHBondContact O-N 2.78Å; V98-C102 PolarHBondContact O-SG 3.08Å; K99-C102 PolarHBondContact O-N 3.29Å; A100-C102 PolarHBondContact O-N 3.48Å; C102-R106 WeakPolarHBondContact O-CG 3.49Å; C102-R106 PolarHBondContact O-N 3.25Å; C102-R106 PolarHBondContact O-NH1 3.16Å; C102-L141 HydrophobicContact CB-CD2 4.12Å; C102-L144 HydrophobicContact CB-CD1 4.48Å; C102-L144 VanDerWaalsContact SG-CB 3.59Å
103	T	96.4	Very high	94.7	Very high	53 Å²	53	27.9 Å²	27.9	33%	0.325	13%	0.133	S	C	.	.	H	α-helix	trans	-68.8	-46.4	175.9	-51.7	0	0	0	0	109.8	K99 A100 A101 V105 R106 E107	K99-T103 PolarHBondContact O-N 3.31Å; K99-T103 PolarHBondContact O-OG1 2.77Å; A100-T103 WeakPolarHBondContact O-CB 3.31Å; A100-T103 PolarHBondContact O-N 3.06Å; A100-T103 VanDerWaalsContact O-N 3.13Å; A101-T103 VanDerWaalsContact C-N 3.28Å; A101-T103 PolarHBondContact O-N 3.5Å; T103-V105 PolarHBondContact O-N 3.18Å; T103-R106 PolarHBondContact O-N 3.29Å; T103-E107 PolarHBondContact O-N 3.34Å
104	F	96.9	Very high	94.4	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.013	14%	0.135	C	C	.	.	H	α-helix	trans	-55.2	-48.4	174.8	172.5	-105.1	0	0	0	112.7	L74 A100 A101 R106 E107 Y108 L117 L243 L246 V247	L74-F104 HydrophobicContact CD1-CZ 4.03Å; L74-F104 HydrophobicContact CD2-CE1 4.24Å; A100-F104 PolarHBondContact O-N 2.94Å; A101-F104 WeakPolarHBondContact O-CB 3.23Å; A101-F104 PolarHBondContact O-N 3.5Å; F104-R106 VanDerWaalsContact C-N 3.31Å; F104-R106 PolarHBondContact O-N 3.4Å; F104-E107 PolarHBondContact O-N 3.05Å; F104-Y108 HydrophobicContact CE2-CD2 4.47Å; F104-Y108 HydrophobicContact CZ-CD2 4.06Å; F104-Y108 WeakPolarHBondContact O-CB 3.42Å; F104-Y108 PolarHBondContact O-N 3.45Å; F104-L117 HydrophobicContact CE1-CD1 4.16Å; F104-L243 HydrophobicContact CB-CB 4.24Å; F104-L243 HydrophobicContact CB-CD1 4.37Å; F104-L243 HydrophobicContact CB-CD2 4.31Å; F104-L243 HydrophobicContact CD2-CB 4.1Å; F104-L243 HydrophobicContact CD2-CD2 4.17Å; F104-L243 WeakPolarHBondContact CD2-O 3.22Å; F104-L243 WeakPolarHBondContact CE2-O 3.4Å; F104-L243 HydrophobicContact CG-CB 4.42Å; F104-L243 HydrophobicContact CG-CD2 4.07Å; F104-L246 HydrophobicContact CE2-CB 4.16Å; F104-V247 HydrophobicContact CD2-CG2 3.73Å; F104-V247 HydrophobicContact CE2-CG2 3.79Å
105	V	96.9	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-40.9	179.1	170.1	0	0	0	0	111.5	A101 T103 F109 L117 H140 L141 L144	A101-V105 WeakPolarHBondContact O-CG2 3.38Å; A101-V105 PolarHBondContact O-N 3.35Å; T103-V105 PolarHBondContact O-N 3.18Å; V105-F109 HydrophobicContact CG1-CD2 3.83Å; V105-F109 HydrophobicContact CG1-CE2 3.89Å; V105-F109 VanDerWaalsContact O-CD2 3.26Å; V105-F109 WeakPolarHBondContact O-CD2 3.46Å; V105-F109 PolarHBondContact O-N 2.99Å; V105-F109 VanDerWaalsContact O-N 3.17Å; V105-L117 HydrophobicContact CG2-CD1 4.04Å; V105-L117 HydrophobicContact CG2-CD2 4.27Å; V105-H140 HydrophobicContact CG1-CB 4.07Å; V105-L141 HydrophobicContact CB-CD2 4.2Å; V105-L141 HydrophobicContact CG1-CD2 4.08Å; V105-L141 HydrophobicContact CG1-CG 4.22Å; V105-L144 HydrophobicContact CG2-CD1 3.86Å
106	R	95.4	Very high	94.1	Very high	124 Å²	124	26.7 Å²	26.7	47%	0.468	13%	0.126	S	C	.	.	H	α-helix	trans	-65.4	-50.1	177.5	-69.3	-177.2	-169.2	102.1	-3.3	111.6	C102 T103 F104 Y108 F109 D110 L141	C102-R106 WeakPolarHBondContact O-CG 3.49Å; C102-R106 PolarHBondContact O-N 3.25Å; C102-R106 PolarHBondContact O-NH1 3.16Å; T103-R106 PolarHBondContact O-N 3.29Å; F104-R106 VanDerWaalsContact C-N 3.31Å; F104-R106 PolarHBondContact O-N 3.4Å; R106-Y108 VanDerWaalsContact C-N 3.3Å; R106-Y108 PolarHBondContact O-N 3.26Å; R106-F109 PolarHBondContact O-N 2.94Å; R106-D110 WeakPolarHBondContact O-CB 3.47Å; R106-D110 PolarHBondContact O-N 3.12Å; R106-L141 HydrophobicContact CG-CD1 4.07Å; R106-L141 HydrophobicContact CG-CD2 4.16Å
107	E	93	Very high	94.1	Very high	67 Å²	67	26.6 Å²	26.6	31%	0.313	13%	0.125	S	C	.	.	H	α-helix	trans	-63.9	-37.4	179.2	-68.9	-178.2	179.7	0	0	111.6	T103 F104 D110 Q111 V247	T103-E107 PolarHBondContact O-N 3.34Å; F104-E107 PolarHBondContact O-N 3.05Å; E107-D110 PolarHBondContact O-N 2.79Å; E107-Q111 WeakPolarHBondContact O-CB 2.91Å; E107-Q111 WeakPolarHBondContact O-CG 3.25Å; E107-Q111 PolarHBondContact O-N 3.28Å; E107-V247 HydrophobicContact CB-CG1 4.48Å; E107-V247 HydrophobicContact CB-CG2 4.12Å
108	Y	94.8	Very high	94.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-52	177.6	-178.8	-98.1	0	0	0	112.1	R72 L74 F104 R106 D110 N112 S115 L117	R72-Y108 WeakPolarHBondContact CB-OH 3.43Å; L74-Y108 HydrophobicContact CB-CE2 4.49Å; L74-Y108 HydrophobicContact CD1-CE2 3.91Å; F104-Y108 HydrophobicContact CE2-CD2 4.47Å; F104-Y108 HydrophobicContact CZ-CD2 4.06Å; F104-Y108 WeakPolarHBondContact O-CB 3.42Å; F104-Y108 PolarHBondContact O-N 3.45Å; R106-Y108 VanDerWaalsContact C-N 3.3Å; R106-Y108 PolarHBondContact O-N 3.26Å; Y108-D110 VanDerWaalsContact C-N 3.34Å; Y108-N112 WeakPolarHBondContact O-CA 3.49Å; Y108-N112 VanDerWaalsContact O-CB 3.26Å; Y108-N112 WeakPolarHBondContact O-CB 3.44Å; Y108-N112 PolarHBondContact O-N 3.29Å; Y108-N112 PolarHBondContact O-ND2 3.17Å; Y108-S115 VanDerWaalsContact OH-CB 3.29Å; Y108-S115 WeakPolarHBondContact OH-CB 3.46Å; Y108-L117 HydrophobicContact CD1-CD1 4.02Å; Y108-L117 HydrophobicContact CE1-CB 4.23Å; Y108-L117 HydrophobicContact CE1-CD1 4.29Å; Y108-L117 HydrophobicContact CG-CD1 4.47Å
109	F	93.3	Very high	94.2	Very high	14 Å²	14	26.6 Å²	26.6	6%	0.061	13%	0.125	C	C	.	.	H	α-helix	trans	-73.8	-24.2	179.8	-78.9	-64.9	0	0	0	113.6	V105 R106 P113 S115 L117 G135 P137 H140	V105-F109 HydrophobicContact CG1-CD2 3.83Å; V105-F109 HydrophobicContact CG1-CE2 3.89Å; V105-F109 VanDerWaalsContact O-CD2 3.26Å; V105-F109 WeakPolarHBondContact O-CD2 3.46Å; V105-F109 PolarHBondContact O-N 2.99Å; V105-F109 VanDerWaalsContact O-N 3.17Å; R106-F109 PolarHBondContact O-N 2.94Å; F109-P113 WeakPolarHBondContact O-CA 3.5Å; F109-S115 WeakPolarHBondContact CE1-O 3.34Å; F109-L117 HydrophobicContact CE2-CB 3.95Å; F109-L117 HydrophobicContact CZ-CB 3.65Å; F109-G135 WeakPolarHBondContact CE1-O 3.5Å; F109-P137 HydrophobicContact CB-CB 4.43Å; F109-P137 HydrophobicContact CD2-CB 3.63Å; F109-P137 HydrophobicContact CD2-CG 4.43Å; F109-P137 HydrophobicContact CE2-CB 4.14Å; F109-P137 HydrophobicContact CG-CB 4.19Å; F109-H140 AromaticContact CE2-CD2 3.68Å; F109-H140 AromaticContact CZ-CD2 3.81Å
110	D	90.5	Very high	94.3	Very high	85 Å²	85	21.6 Å²	21.6	46%	0.455	10%	0.104	S	C	.	.	H	α-helix	trans	-70.5	-46.1	174.7	-166.7	42.1	0	0	0	111.4	R106 E107 Y108 R333	R106-D110 WeakPolarHBondContact O-CB 3.47Å; R106-D110 PolarHBondContact O-N 3.12Å; E107-D110 PolarHBondContact O-N 2.79Å; Y108-D110 VanDerWaalsContact C-N 3.34Å; D110-R333 IonicContact OD1-NH1 3.6Å; D110-R333 PolarHBondContact OD1-NH1 3.35Å
111	Q	87.8	Confident	94.3	Very high	38 Å²	38	21.5 Å²	21.5	18%	0.178	10%	0.103	C	C	.	.	H	α-helix	trans	-84.7	-22	-179.1	-60.3	-65.3	10.1	0	0	114	E107 V247 H336 H337 H417	E107-Q111 WeakPolarHBondContact O-CB 2.91Å; E107-Q111 WeakPolarHBondContact O-CG 3.25Å; E107-Q111 PolarHBondContact O-N 3.28Å; Q111-V247 HydrophobicContact CB-CG1 3.87Å; Q111-V247 HydrophobicContact CG-CG1 3.95Å; Q111-H336 PolarHBondContact OE1-CE1 3.04Å; Q111-H336 PolarHBondContact OE1-NE2 2.61Å; Q111-H337 PolarHBondContact O-NE2 2.82Å; Q111-H417 PolarHBondContact NE2-NE2 3.41Å
112	N	91	Very high	94.3	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	10%	0.103	C	C	.	.			trans	-132.2	68.5	-178.5	-47.7	-97.1	0	0	0	110.9	R72 Y108 I114 S115 V247	R72-N112 PolarHBondContact NH1-OD1 3.34Å; Y108-N112 WeakPolarHBondContact O-CA 3.49Å; Y108-N112 VanDerWaalsContact O-CB 3.26Å; Y108-N112 WeakPolarHBondContact O-CB 3.44Å; Y108-N112 PolarHBondContact O-N 3.29Å; Y108-N112 PolarHBondContact O-ND2 3.17Å; N112-I114 VanDerWaalsContact C-N 3.28Å; N112-I114 PolarHBondContact O-N 2.92Å; N112-S115 WeakPolarHBondContact CB-OG 3.42Å; N112-S115 WeakPolarHBondContact O-CB 3.26Å; N112-S115 PolarHBondContact O-N 2.96Å; N112-V247 PolarHBondContact ND2-O 2.95Å
113	P	89.7	Confident	94.2	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.026	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.9	-172.9	25.5	-35.3	0	0	0	113.7	F109 S115 P315 H330 R333	F109-P113 WeakPolarHBondContact O-CA 3.5Å; P113-S115 VanDerWaalsContact C-N 3.29Å; P113-P315 WeakPolarHBondContact O-CG 3.43Å; P113-H330 HydrophobicContact CB-CB 4.04Å; P113-H330 HydrophobicContact CG-CB 4.06Å; P113-H330 WeakPolarHBondContact CG-O 3.38Å; P113-R333 HydrophobicContact CG-CB 4.2Å
114	I	89.2	Confident	94.2	Very high	17 Å²	17	22.9 Å²	22.9	9%	0.087	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.7	179.3	61.7	176.9	0	0	0	113.9	M70 M71 N112 V326 L331	M70-I114 HydrophobicContact CB-CD1 4.42Å; M71-I114 HydrophobicContact CG-CD1 3.79Å; M71-I114 HydrophobicContact CG-CG1 4.3Å; N112-I114 VanDerWaalsContact C-N 3.28Å; N112-I114 PolarHBondContact O-N 2.92Å; I114-V326 HydrophobicContact CG2-CG1 4.01Å; I114-L331 HydrophobicContact CD1-CD2 4.33Å; I114-L331 HydrophobicContact CG2-CD2 3.87Å
115	S	92.1	Very high	94.1	Very high	1 Å²	1	30 Å²	30	1%	0.007	14%	0.136	C	C	.	.			trans	-87.7	161.5	179.3	-64.6	0	0	0	0	111.5	M70 R72 Y108 F109 N112 P113	M70-S115 PolarHBondContact O-OG 3.02Å; R72-S115 WeakPolarHBondContact CB-OG 3.49Å; R72-S115 PolarHBondContact N-OG 3.2Å; R72-S115 CarbonylContact O-C 3.56Å; R72-S115 WeakPolarHBondContact O-CA 3.34Å; R72-S115 VanDerWaalsContact O-CB 3.28Å; R72-S115 WeakPolarHBondContact O-CB 3.42Å; Y108-S115 VanDerWaalsContact OH-CB 3.29Å; Y108-S115 WeakPolarHBondContact OH-CB 3.46Å; F109-S115 WeakPolarHBondContact CE1-O 3.34Å; N112-S115 WeakPolarHBondContact CB-OG 3.42Å; N112-S115 WeakPolarHBondContact O-CB 3.26Å; N112-S115 PolarHBondContact O-N 2.96Å; P113-S115 VanDerWaalsContact C-N 3.29Å
116	Q	92.9	Very high	94	Very high	35 Å²	35	39 Å²	39	16%	0.164	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.6	176.7	-56.4	-176.1	-3.7	0	0	110.3	R72 L74 L133 S134	R72-Q116 PolarHBondContact O-N 2.9Å; L74-Q116 PolarHBondContact N-O 3.45Å; Q116-L133 HydrophobicContact CB-CD1 3.84Å; Q116-L133 HydrophobicContact CB-CD2 4.3Å; Q116-L133 HydrophobicContact CB-CG 3.68Å; Q116-L133 VanDerWaalsContact OE1-CD2 3.32Å; Q116-S134 WeakPolarHBondContact CA-O 3.34Å
117	L	95.7	Very high	94.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.4	178	-171	144	0	0	0	110.1	L74 F104 V105 Y108 F109 I119 L133 S134 H140	L74-L117 HydrophobicContact CD2-CD1 3.87Å; L74-L117 HydrophobicContact CD2-CG 4.11Å; L74-L117 CarbonylContact O-C 3.6Å; L74-L117 VanDerWaalsContact O-CA 3.26Å; L74-L117 WeakPolarHBondContact O-CA 3.29Å; F104-L117 HydrophobicContact CE1-CD1 4.16Å; V105-L117 HydrophobicContact CG2-CD1 4.04Å; V105-L117 HydrophobicContact CG2-CD2 4.27Å; Y108-L117 HydrophobicContact CD1-CD1 4.02Å; Y108-L117 HydrophobicContact CE1-CB 4.23Å; Y108-L117 HydrophobicContact CE1-CD1 4.29Å; Y108-L117 HydrophobicContact CG-CD1 4.47Å; F109-L117 HydrophobicContact CE2-CB 3.95Å; F109-L117 HydrophobicContact CZ-CB 3.65Å; L117-I119 HydrophobicContact CD2-CD1 4.17Å; L117-I119 HydrophobicContact CD2-CG1 3.65Å; L117-L133 WeakPolarHBondContact O-CA 3.31Å; L117-S134 PolarHBondContact N-O 3.06Å; L117-S134 PolarHBondContact O-N 3.29Å; L117-H140 HydrophobicContact CD2-CB 4.3Å; L117-H140 PolarHBondContact O-CE1 2.84Å; L117-H140 PolarHBondContact O-NE2 2.96Å
118	G	96.7	Very high	94.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.1	170.8	0	0	0	0	0	109.9	L74 F75 L76	L74-G118 PolarHBondContact O-N 3.01Å; F75-G118 CarbonylContact C-O 3.55Å; F75-G118 WeakPolarHBondContact CA-O 3.42Å; L76-G118 PolarHBondContact N-O 3.02Å
119	I	98.2	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.2	-177.6	-57.6	175.7	0	0	0	109	L76 I78 L117 L130 T131 H140 L144	L76-I119 WeakPolarHBondContact O-CA 3.25Å; I78-I119 HydrophobicContact CD1-CG2 4.33Å; L117-I119 HydrophobicContact CD2-CD1 4.17Å; L117-I119 HydrophobicContact CD2-CG1 3.65Å; I119-L130 HydrophobicContact CB-CB 4.39Å; I119-L130 HydrophobicContact CG2-CB 4.19Å; I119-L130 HydrophobicContact CG2-CD2 4.06Å; I119-L130 PolarHBondContact O-N 3.4Å; I119-T131 WeakPolarHBondContact CB-OG1 3.35Å; I119-T131 PolarHBondContact N-O 2.71Å; I119-T131 PolarHBondContact N-OG1 3.34Å; I119-T131 PolarHBondContact O-N 3.4Å; I119-T131 VanDerWaalsContact O-N 3.14Å; I119-H140 HydrophobicContact CD1-CB 3.91Å; I119-L144 HydrophobicContact CD1-CD1 4.2Å; I119-L144 HydrophobicContact CD1-CD2 3.9Å; I119-L144 HydrophobicContact CD1-CG 3.71Å
120	I	98.2	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140	173.5	-64.8	167.4	0	0	0	107.4	F75 L76 I77 I78 A127 E128 R129 A161 L164 A165	F75-I120 HydrophobicContact CD1-CD1 3.66Å; F75-I120 HydrophobicContact CD1-CG1 3.93Å; F75-I120 HydrophobicContact CE1-CD1 4.07Å; F75-I120 HydrophobicContact CE1-CG1 4.29Å; F75-I120 HydrophobicContact CG-CD1 4.16Å; L76-I120 PolarHBondContact O-N 3.09Å; I77-I120 CarbonylContact C-O 3.58Å; I77-I120 VanDerWaalsContact CA-O 3.28Å; I77-I120 WeakPolarHBondContact CA-O 3.45Å; I77-I120 HydrophobicContact CG1-CB 4.16Å; I77-I120 HydrophobicContact CG1-CG2 4.49Å; I78-I120 PolarHBondContact N-O 2.85Å; I120-A127 HydrophobicContact CG2-CB 4.2Å; I120-E128 CarbonylContact C-O 3.41Å; I120-E128 WeakPolarHBondContact CA-O 3.23Å; I120-R129 HydrophobicContact CG1-CB 4.41Å; I120-A161 HydrophobicContact CG2-CB 3.96Å; I120-L164 HydrophobicContact CD1-CB 4.21Å; I120-L164 HydrophobicContact CD1-CD2 4.21Å; I120-L164 HydrophobicContact CD1-CG 4.1Å; I120-L164 HydrophobicContact CG1-CD2 4.23Å; I120-L164 HydrophobicContact CG2-CD2 4.15Å; I120-A165 HydrophobicContact CD1-CB 3.84Å
121	V	97.8	Very high	94.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.7	173.7	-60.7	0	0	0	0	109.9	I78 L80 A127 E128 L130 L147	I78-V121 HydrophobicContact CB-CG1 4.47Å; I78-V121 VanDerWaalsContact O-CA 3.29Å; I78-V121 WeakPolarHBondContact O-CA 3.37Å; L80-V121 HydrophobicContact CD1-CB 3.65Å; L80-V121 HydrophobicContact CD1-CG1 3.88Å; L80-V121 HydrophobicContact CD1-CG2 4.02Å; L80-V121 HydrophobicContact CG-CB 4.17Å; L80-V121 HydrophobicContact CG-CG1 4.42Å; V121-A127 CarbonylContact O-C 3.51Å; V121-A127 WeakPolarHBondContact O-CA 3.1Å; V121-E128 HydrophobicContact CG2-CB 3.89Å; V121-E128 HydrophobicContact CG2-CG 4.5Å; V121-E128 PolarHBondContact N-O 3.03Å; V121-E128 PolarHBondContact O-N 2.77Å; V121-L130 HydrophobicContact CG1-CB 4.42Å; V121-L130 HydrophobicContact CG1-CD2 4.19Å; V121-L147 HydrophobicContact CG1-CD1 4.15Å; V121-L147 HydrophobicContact CG1-CD2 4.12Å
122	T	97.3	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.1	179.4	-171.8	0	0	0	0	110.9	I77 I78 D79 L80 R126 P156 S157	I77-T122 HydrophobicContact CG2-CG2 4.39Å; I78-T122 PolarHBondContact O-N 2.74Å; D79-T122 HydrophobicContact CB-CG2 4.49Å; L80-T122 PolarHBondContact N-O 3.35Å; T122-R126 WeakPolarHBondContact CA-O 3.49Å; T122-R126 PolarHBondContact OG1-O 3.48Å; T122-P156 HydrophobicContact CG2-CB 3.64Å; T122-S157 PolarHBondContact OG1-N 3.35Å; T122-S157 PolarHBondContact OG1-O 3.25Å
123	S	95.1	Very high	94.9	Very high	21 Å²	21	40.8 Å²	40.8	15%	0.147	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	151.8	-177.4	56.5	0	0	0	0	110.4	R125 R126	S123-R125 VanDerWaalsContact C-N 3.28Å; S123-R125 PolarHBondContact O-N 3Å; S123-R126 PolarHBondContact N-O 3.44Å; S123-R126 PolarHBondContact O-N 3.31Å; S123-R126 VanDerWaalsContact O-O 3.08Å
124	D	95.1	Very high	94.9	Very high	69 Å²	69	42.1 Å²	42.1	37%	0.369	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.6	52.6	-178.8	-170.1	29.6	0	0	0	113.8	R126 I153 E155	D124-R126 PolarHBondContact O-N 3.05Å; D124-R126 VanDerWaalsContact O-N 3.12Å; D124-I153 PolarHBondContact N-O 3.37Å; D124-I153 VanDerWaalsContact N-O 3.15Å; D124-E155 PolarHBondContact N-O 3.3Å; D124-E155 VanDerWaalsContact N-O 3.12Å
125	R	95.5	Very high	94.8	Very high	152 Å²	152	42.1 Å²	42.1	57%	0.574	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	16.5	175.9	-60.1	161.2	-81.6	-164.3	-7.3	114.2	S123 E155 S157 N160 C188	S123-R125 VanDerWaalsContact C-N 3.28Å; S123-R125 PolarHBondContact O-N 3Å; R125-E155 PolarHBondContact N-O 3.18Å; R125-S157 WeakPolarHBondContact O-CB 3.27Å; R125-N160 PolarHBondContact O-ND2 2.93Å; R125-C188 HydrophobicContact CG-CB 3.72Å
126	R	95.4	Very high	94.6	Very high	188 Å²	188	43.4 Å²	43.4	71%	0.709	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.5	-178.5	-66	-179.7	-180	-170.8	0.6	110.9	T122 S123 D124	T122-R126 WeakPolarHBondContact CA-O 3.49Å; T122-R126 PolarHBondContact OG1-O 3.48Å; S123-R126 PolarHBondContact N-O 3.44Å; S123-R126 PolarHBondContact O-N 3.31Å; S123-R126 VanDerWaalsContact O-O 3.08Å; D124-R126 PolarHBondContact O-N 3.05Å; D124-R126 VanDerWaalsContact O-N 3.12Å
127	A	96.5	Very high	94.6	Very high	26 Å²	26	43.8 Å²	43.8	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.4	169.8	0	0	0	0	0	109.9	I120 V121 N160 A161 L164	I120-A127 HydrophobicContact CG2-CB 4.2Å; V121-A127 CarbonylContact O-C 3.51Å; V121-A127 WeakPolarHBondContact O-CA 3.1Å; A127-N160 HydrophobicContact CB-CB 3.85Å; A127-A161 VanDerWaalsContact CB-CA 3.43Å; A127-A161 HydrophobicContact CB-CB 3.76Å; A127-A161 VanDerWaalsContact CB-N 3.32Å; A127-L164 HydrophobicContact CB-CD2 4.44Å
128	E	95.8	Very high	94.5	Very high	84 Å²	84	52.7 Å²	52.7	39%	0.393	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.5	178.8	179	-171.2	131.5	0	0	108.8	I120 V121 L130 R150	I120-E128 CarbonylContact C-O 3.41Å; I120-E128 WeakPolarHBondContact CA-O 3.23Å; V121-E128 HydrophobicContact CG2-CB 3.89Å; V121-E128 HydrophobicContact CG2-CG 4.5Å; V121-E128 PolarHBondContact N-O 3.03Å; V121-E128 PolarHBondContact O-N 2.77Å; E128-L130 PolarHBondContact O-N 3.32Å; E128-R150 VanDerWaalsContact CD-NH1 3.34Å; E128-R150 IonicContact OE1-CZ 3.34Å; E128-R150 IonicContact OE1-NH1 3.09Å; E128-R150 PolarHBondContact OE1-NH1 3.44Å; E128-R150 IonicContact OE1-NH2 3.51Å; E128-R150 IonicContact OE2-CZ 2.71Å; E128-R150 IonicContact OE2-NH1 3.02Å; E128-R150 PolarHBondContact OE2-NH1 3.29Å; E128-R150 IonicContact OE2-NH2 3.81Å; E128-R150 PolarHBondContact OE2-NH2 2.96Å
129	R	96.3	Very high	94.3	Very high	74 Å²	74	55.4 Å²	55.4	28%	0.279	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.2	172.8	178.6	171.2	56.5	166.6	9.2	109	I120 T131 E132 L164	I120-R129 HydrophobicContact CG1-CB 4.41Å; R129-T131 WeakPolarHBondContact CG-O 3.3Å; R129-E132 IonicContact CZ-OE1 2.85Å; R129-E132 IonicContact CZ-OE2 2.86Å; R129-E132 IonicContact NE-OE1 2.67Å; R129-E132 PolarHBondContact NE-OE1 3.43Å; R129-E132 IonicContact NE-OE2 3.71Å; R129-E132 VanDerWaalsContact NH1-CD 3.31Å; R129-E132 IonicContact NH1-OE1 3.76Å; R129-E132 PolarHBondContact NH1-OE1 3.42Å; R129-E132 IonicContact NH1-OE2 3.63Å; R129-E132 PolarHBondContact NH1-OE2 3.42Å; R129-E132 IonicContact NH2-OE1 3.41Å; R129-E132 PolarHBondContact NH2-OE1 2.95Å; R129-E132 IonicContact NH2-OE2 3.23Å; R129-L164 HydrophobicContact CB-CD2 3.81Å; R129-L164 HydrophobicContact CB-CG 4.47Å
130	L	95.2	Very high	94.1	Very high	40 Å²	40	55.4 Å²	55.4	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-39	-178.6	-169.5	69.5	0	0	0	111.7	I119 V121 E128 A143 L147	I119-L130 HydrophobicContact CB-CB 4.39Å; I119-L130 HydrophobicContact CG2-CB 4.19Å; I119-L130 HydrophobicContact CG2-CD2 4.06Å; I119-L130 PolarHBondContact O-N 3.4Å; V121-L130 HydrophobicContact CG1-CB 4.42Å; V121-L130 HydrophobicContact CG1-CD2 4.19Å; E128-L130 PolarHBondContact O-N 3.32Å; L130-A143 HydrophobicContact CD2-CB 3.69Å; L130-A143 HydrophobicContact CG-CB 3.83Å; L130-L147 HydrophobicContact CD2-CD1 4.23Å; L130-L147 HydrophobicContact CD2-CD2 3.8Å; L130-L147 HydrophobicContact CD2-CG 4.08Å
131	T	95.5	Very high	94.1	Very high	15 Å²	15	56.7 Å²	56.7	9%	0.092	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.4	172.5	66.1	0	0	0	0	111.2	I119 R129 H140 A143	I119-T131 WeakPolarHBondContact CB-OG1 3.35Å; I119-T131 PolarHBondContact N-O 2.71Å; I119-T131 PolarHBondContact N-OG1 3.34Å; I119-T131 PolarHBondContact O-N 3.4Å; I119-T131 VanDerWaalsContact O-N 3.14Å; R129-T131 WeakPolarHBondContact CG-O 3.3Å; T131-H140 WeakPolarHBondContact CB-ND1 3.29Å; T131-H140 PolarHBondContact OG1-CE1 2.76Å; T131-H140 VanDerWaalsContact OG1-CE1 3.32Å; T131-H140 PolarHBondContact OG1-ND1 2.93Å; T131-A143 HydrophobicContact CG2-CB 3.29Å
132	E	92.2	Very high	94	Very high	97 Å²	97	59.4 Å²	59.4	45%	0.453	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	162.9	167.7	-64.4	-65.4	170.4	0	0	111.5	R129 S134 H140	R129-E132 IonicContact CZ-OE1 2.85Å; R129-E132 IonicContact CZ-OE2 2.86Å; R129-E132 IonicContact NE-OE1 2.67Å; R129-E132 PolarHBondContact NE-OE1 3.43Å; R129-E132 IonicContact NE-OE2 3.71Å; R129-E132 VanDerWaalsContact NH1-CD 3.31Å; R129-E132 IonicContact NH1-OE1 3.76Å; R129-E132 PolarHBondContact NH1-OE1 3.42Å; R129-E132 IonicContact NH1-OE2 3.63Å; R129-E132 PolarHBondContact NH1-OE2 3.42Å; R129-E132 IonicContact NH2-OE1 3.41Å; R129-E132 PolarHBondContact NH2-OE1 2.95Å; R129-E132 IonicContact NH2-OE2 3.23Å; E132-S134 PolarHBondContact O-N 2.55Å; E132-H140 PolarHBondContact O-CE1 3.23Å
133	L	91.9	Very high	94	Very high	34 Å²	34	60 Å²	60	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	116.1	172.2	-170	70.6	0	0	0	108.8	H73 F75 Q116 L117	H73-L133 HydrophobicContact CB-CD1 4.41Å; H73-L133 HydrophobicContact CB-CD2 4.04Å; F75-L133 HydrophobicContact CE2-CD1 4.36Å; F75-L133 HydrophobicContact CZ-CB 4.17Å; F75-L133 HydrophobicContact CZ-CD1 4.46Å; Q116-L133 HydrophobicContact CB-CD1 3.84Å; Q116-L133 HydrophobicContact CB-CD2 4.3Å; Q116-L133 HydrophobicContact CB-CG 3.68Å; Q116-L133 VanDerWaalsContact OE1-CD2 3.32Å; L117-L133 WeakPolarHBondContact O-CA 3.31Å
134	S	89.9	Confident	94.1	Very high	31 Å²	31	59 Å²	59	22%	0.217	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	160.1	-176.5	94.9	0	0	0	0	112.8	Q116 L117 E132 N136 H140	Q116-S134 WeakPolarHBondContact CA-O 3.34Å; L117-S134 PolarHBondContact N-O 3.06Å; L117-S134 PolarHBondContact O-N 3.29Å; E132-S134 PolarHBondContact O-N 2.55Å; S134-N136 PolarHBondContact OG-N 2.82Å; S134-H140 PolarHBondContact O-NE2 3.42Å; S134-H140 PolarHBondContact OG-CE1 3.19Å; S134-H140 PolarHBondContact OG-NE2 2.84Å
135	G	88.2	Confident	94.1	Very high	17 Å²	17	60.8 Å²	60.8	18%	0.175	30%	0.296	C	S	.	.	S	Bend	trans	-89	-2.9	176.8	0	0	0	0	0	114.7	F109	F109-G135 WeakPolarHBondContact CE1-O 3.5Å
136	N	88.1	Confident	94.1	Very high	29 Å²	29	56 Å²	56	16%	0.155	29%	0.286	C	S	.	.			trans	-98.7	119.4	-174.7	-174.4	-8.9	0	0	0	111	S134 R138 P139 H140 E313	S134-N136 PolarHBondContact OG-N 2.82Å; N136-R138 VanDerWaalsContact C-N 3.29Å; N136-R138 PolarHBondContact O-N 3.21Å; N136-R138 WeakPolarHBondContact OD1-CB 3.29Å; N136-R138 WeakPolarHBondContact OD1-CG 3.36Å; N136-R138 PolarHBondContact OD1-N 3.49Å; N136-P139 HydrophobicContact CB-CG 4.17Å; N136-P139 VanDerWaalsContact O-CD 3.25Å; N136-P139 WeakPolarHBondContact O-CD 3.38Å; N136-P139 VanDerWaalsContact O-CG 3.32Å; N136-P139 WeakPolarHBondContact O-CG 3.43Å; N136-H140 PolarHBondContact O-CD2 3.4Å; N136-H140 PolarHBondContact O-NE2 3.18Å; N136-E313 PolarHBondContact ND2-OE1 3.32Å; N136-E313 PolarHBondContact ND2-OE2 3.07Å
137	P	92.8	Very high	94.1	Very high	42 Å²	42	47.1 Å²	47.1	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-27.7	179.2	23.8	-33.7	0	0	0	114.1	F109 H140 L141	F109-P137 HydrophobicContact CB-CB 4.43Å; F109-P137 HydrophobicContact CD2-CB 3.63Å; F109-P137 HydrophobicContact CD2-CG 4.43Å; F109-P137 HydrophobicContact CE2-CB 4.14Å; F109-P137 HydrophobicContact CG-CB 4.19Å; P137-H140 PolarHBondContact O-N 3.26Å; P137-L141 HydrophobicContact CB-CD1 4.38Å; P137-L141 VanDerWaalsContact O-CG 3.29Å; P137-L141 WeakPolarHBondContact O-CG 3.41Å; P137-L141 PolarHBondContact O-N 3.47Å
138	R	92.4	Very high	94	Very high	187 Å²	187	50.5 Å²	50.5	71%	0.706	26%	0.26	S	S	*	.	H	α-helix	trans	-59.3	-54	-172.7	-65.4	177.2	-179.5	167.8	0.7	113.9	N136 H140 L141 A142	N136-R138 VanDerWaalsContact C-N 3.29Å; N136-R138 PolarHBondContact O-N 3.21Å; N136-R138 WeakPolarHBondContact OD1-CB 3.29Å; N136-R138 WeakPolarHBondContact OD1-CG 3.36Å; N136-R138 PolarHBondContact OD1-N 3.49Å; R138-H140 VanDerWaalsContact C-N 3.27Å; R138-H140 PolarHBondContact O-N 3.09Å; R138-L141 PolarHBondContact O-N 2.88Å; R138-A142 WeakPolarHBondContact O-CB 3.32Å; R138-A142 PolarHBondContact O-N 2.93Å
139	P	92.4	Very high	93.8	Very high	58 Å²	58	52.5 Å²	52.5	38%	0.377	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-37.8	177.9	22.4	-34.8	0	0	0	112.3	N136 A143	N136-P139 HydrophobicContact CB-CG 4.17Å; N136-P139 VanDerWaalsContact O-CD 3.25Å; N136-P139 WeakPolarHBondContact O-CD 3.38Å; N136-P139 VanDerWaalsContact O-CG 3.32Å; N136-P139 WeakPolarHBondContact O-CG 3.43Å; P139-A143 WeakPolarHBondContact O-CB 3.45Å; P139-A143 PolarHBondContact O-N 2.97Å
140	H	95.7	Very high	93.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-43.8	177	-58.1	-51.4	0	0	0	112.4	V105 F109 L117 I119 T131 E132 S134 N136 P137 R138 A143 L144	V105-H140 HydrophobicContact CG1-CB 4.07Å; F109-H140 AromaticContact CE2-CD2 3.68Å; F109-H140 AromaticContact CZ-CD2 3.81Å; L117-H140 HydrophobicContact CD2-CB 4.3Å; L117-H140 PolarHBondContact O-CE1 2.84Å; L117-H140 PolarHBondContact O-NE2 2.96Å; I119-H140 HydrophobicContact CD1-CB 3.91Å; T131-H140 WeakPolarHBondContact CB-ND1 3.29Å; T131-H140 PolarHBondContact OG1-CE1 2.76Å; T131-H140 VanDerWaalsContact OG1-CE1 3.32Å; T131-H140 PolarHBondContact OG1-ND1 2.93Å; E132-H140 PolarHBondContact O-CE1 3.23Å; S134-H140 PolarHBondContact O-NE2 3.42Å; S134-H140 PolarHBondContact OG-CE1 3.19Å; S134-H140 PolarHBondContact OG-NE2 2.84Å; N136-H140 PolarHBondContact O-CD2 3.4Å; N136-H140 PolarHBondContact O-NE2 3.18Å; P137-H140 PolarHBondContact O-N 3.26Å; R138-H140 VanDerWaalsContact C-N 3.27Å; R138-H140 PolarHBondContact O-N 3.09Å; H140-A143 PolarHBondContact O-N 2.77Å; H140-L144 WeakPolarHBondContact O-CG 3.35Å; H140-L144 PolarHBondContact O-N 2.83Å
141	L	97.1	Very high	93.4	Very high	27 Å²	27	55.3 Å²	55.3	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-67.1	-42.1	177.9	-69.3	172.5	0	0	0	111.9	C102 V105 R106 P137 R138 A143 L144 Q145	C102-L141 HydrophobicContact CB-CD2 4.12Å; V105-L141 HydrophobicContact CB-CD2 4.2Å; V105-L141 HydrophobicContact CG1-CD2 4.08Å; V105-L141 HydrophobicContact CG1-CG 4.22Å; R106-L141 HydrophobicContact CG-CD1 4.07Å; R106-L141 HydrophobicContact CG-CD2 4.16Å; P137-L141 HydrophobicContact CB-CD1 4.38Å; P137-L141 VanDerWaalsContact O-CG 3.29Å; P137-L141 WeakPolarHBondContact O-CG 3.41Å; P137-L141 PolarHBondContact O-N 3.47Å; R138-L141 PolarHBondContact O-N 2.88Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-L144 PolarHBondContact O-N 2.86Å; L141-Q145 WeakPolarHBondContact O-CB 3.32Å; L141-Q145 VanDerWaalsContact O-CG 3.27Å; L141-Q145 WeakPolarHBondContact O-CG 3.26Å; L141-Q145 PolarHBondContact O-N 3.19Å
142	A	96.1	Very high	93.4	Very high	56 Å²	56	55.1 Å²	55.1	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.7	0	0	0	0	0	111.5	R138 Q145 S146	R138-A142 WeakPolarHBondContact O-CB 3.32Å; R138-A142 PolarHBondContact O-N 2.93Å; A142-Q145 PolarHBondContact O-N 2.98Å; A142-S146 PolarHBondContact O-N 3.13Å
143	A	96.4	Very high	93.5	Very high	13 Å²	13	55 Å²	55	11%	0.107	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-47.3	174.5	0	0	0	0	0	112.1	L130 T131 P139 H140 L141 Q145 S146 L147	L130-A143 HydrophobicContact CD2-CB 3.69Å; L130-A143 HydrophobicContact CG-CB 3.83Å; T131-A143 HydrophobicContact CG2-CB 3.29Å; P139-A143 WeakPolarHBondContact O-CB 3.45Å; P139-A143 PolarHBondContact O-N 2.97Å; H140-A143 PolarHBondContact O-N 2.77Å; L141-A143 VanDerWaalsContact C-N 3.34Å; A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 3.41Å; A143-S146 WeakPolarHBondContact O-CB 3.11Å; A143-S146 PolarHBondContact O-N 3.48Å; A143-S146 VanDerWaalsContact O-N 3.16Å; A143-S146 PolarHBondContact O-OG 3.13Å; A143-L147 PolarHBondContact O-N 3.41Å
144	L	97.1	Very high	93.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-40.4	175.2	-72.8	174.7	0	0	0	112.2	I78 V98 A101 C102 V105 I119 H140 L141 S146 L147	I78-L144 HydrophobicContact CD1-CD2 3.47Å; I78-L144 VanDerWaalsContact CD1-CD2 3.47Å; V98-L144 HydrophobicContact CG1-CB 4.27Å; V98-L144 WeakPolarHBondContact CG1-O 3.48Å; A101-L144 HydrophobicContact CB-CD1 4.13Å; A101-L144 HydrophobicContact CB-CD2 4.21Å; C102-L144 HydrophobicContact CB-CD1 4.48Å; C102-L144 VanDerWaalsContact SG-CB 3.59Å; V105-L144 HydrophobicContact CG2-CD1 3.86Å; I119-L144 HydrophobicContact CD1-CD1 4.2Å; I119-L144 HydrophobicContact CD1-CD2 3.9Å; I119-L144 HydrophobicContact CD1-CG 3.71Å; H140-L144 WeakPolarHBondContact O-CG 3.35Å; H140-L144 PolarHBondContact O-N 2.83Å; L141-L144 PolarHBondContact O-N 2.86Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 3.13Å; L144-L147 HydrophobicContact CD2-CD1 4.09Å; L144-L147 VanDerWaalsContact O-CB 3.29Å; L144-L147 WeakPolarHBondContact O-CB 3.49Å; L144-L147 PolarHBondContact O-N 3.47Å; L144-L147 VanDerWaalsContact O-N 3.13Å
145	Q	96.1	Very high	93.9	Very high	106 Å²	106	55.8 Å²	55.8	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-34.8	176.3	-74.3	172.6	-21.8	0	0	112.4	L141 A142 A143 L147 Y148	L141-Q145 WeakPolarHBondContact O-CB 3.32Å; L141-Q145 VanDerWaalsContact O-CG 3.27Å; L141-Q145 WeakPolarHBondContact O-CG 3.26Å; L141-Q145 PolarHBondContact O-N 3.19Å; A142-Q145 PolarHBondContact O-N 2.98Å; A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 3.41Å; Q145-L147 PolarHBondContact O-N 2.91Å; Q145-Y148 HydrophobicContact CG-CE2 4.46Å; Q145-Y148 VanDerWaalsContact O-CD2 3.22Å; Q145-Y148 WeakPolarHBondContact O-CD2 3.16Å; Q145-Y148 PolarHBondContact O-N 2.92Å
146	S	95.5	Very high	94.3	Very high	53 Å²	53	55 Å²	55	37%	0.371	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-27.1	175.5	79.5	0	0	0	0	112.8	A142 A143 L144 Y148 T149	A142-S146 PolarHBondContact O-N 3.13Å; A143-S146 WeakPolarHBondContact O-CB 3.11Å; A143-S146 PolarHBondContact O-N 3.48Å; A143-S146 VanDerWaalsContact O-N 3.16Å; A143-S146 PolarHBondContact O-OG 3.13Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 3.13Å; S146-Y148 PolarHBondContact O-N 3.45Å; S146-T149 PolarHBondContact O-N 3.19Å; S146-T149 VanDerWaalsContact O-N 3.15Å; S146-T149 PolarHBondContact O-OG1 2.99Å
147	L	94.9	Very high	94.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-65.1	-24.4	-180	-59.3	-175.6	0	0	0	113.4	I78 L80 V98 V121 L130 A143 L144 Q145 T149 R150	I78-L147 HydrophobicContact CD1-CD1 4.19Å; L80-L147 HydrophobicContact CD1-CD2 3.93Å; V98-L147 HydrophobicContact CG2-CB 4.04Å; V98-L147 HydrophobicContact CG2-CD1 4.32Å; V121-L147 HydrophobicContact CG1-CD1 4.15Å; V121-L147 HydrophobicContact CG1-CD2 4.12Å; L130-L147 HydrophobicContact CD2-CD1 4.23Å; L130-L147 HydrophobicContact CD2-CD2 3.8Å; L130-L147 HydrophobicContact CD2-CG 4.08Å; A143-L147 PolarHBondContact O-N 3.41Å; L144-L147 HydrophobicContact CD2-CD1 4.09Å; L144-L147 VanDerWaalsContact O-CB 3.29Å; L144-L147 WeakPolarHBondContact O-CB 3.49Å; L144-L147 PolarHBondContact O-N 3.47Å; L144-L147 VanDerWaalsContact O-N 3.13Å; Q145-L147 PolarHBondContact O-N 2.91Å; L147-T149 PolarHBondContact O-N 2.77Å; L147-R150 PolarHBondContact O-N 2.92Å; L147-R150 VanDerWaalsContact O-N 3.12Å
148	Y	94.1	Very high	94.9	Very high	98 Å²	98	51.6 Å²	51.6	38%	0.384	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61.1	-27.3	175.6	-67.3	-58.8	0	0	0	113.2	I95 V98 K99 Q145 S146	I95-Y148 HydrophobicContact CB-CE1 4.38Å; I95-Y148 HydrophobicContact CG1-CD1 4.02Å; I95-Y148 HydrophobicContact CG1-CE1 4.26Å; I95-Y148 HydrophobicContact CG2-CE1 4.16Å; V98-Y148 HydrophobicContact CB-CD1 4.42Å; V98-Y148 HydrophobicContact CB-CE1 3.77Å; V98-Y148 HydrophobicContact CG1-CD1 4.25Å; V98-Y148 HydrophobicContact CG1-CD2 4.4Å; V98-Y148 HydrophobicContact CG1-CE1 3.66Å; V98-Y148 HydrophobicContact CG1-CE2 3.81Å; V98-Y148 VanDerWaalsContact CG1-CZ 3.4Å; K99-Y148 PolarHBondContact N-OH 2.78Å; Q145-Y148 HydrophobicContact CG-CE2 4.46Å; Q145-Y148 VanDerWaalsContact O-CD2 3.22Å; Q145-Y148 WeakPolarHBondContact O-CD2 3.16Å; Q145-Y148 PolarHBondContact O-N 2.92Å; S146-Y148 PolarHBondContact O-N 3.45Å
149	T	92.2	Very high	95.1	Very high	126 Å²	126	43 Å²	43	77%	0.773	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-93.4	-9.6	179.2	60.5	0	0	0	0	113.5	S146 L147	S146-T149 PolarHBondContact O-N 3.19Å; S146-T149 VanDerWaalsContact O-N 3.15Å; S146-T149 PolarHBondContact O-OG1 2.99Å; L147-T149 PolarHBondContact O-N 2.77Å
150	R	92.4	Very high	95.4	Very high	70 Å²	70	42.7 Å²	42.7	26%	0.264	24%	0.238	S	C	.	.	S	Bend	trans	-85.2	135.2	-173.5	-166.7	167.9	172.9	159.5	3.3	110.1	L80 E128 L147	L80-R150 HydrophobicContact CD1-CG 4.47Å; E128-R150 VanDerWaalsContact CD-NH1 3.34Å; E128-R150 IonicContact OE1-CZ 3.34Å; E128-R150 IonicContact OE1-NH1 3.09Å; E128-R150 PolarHBondContact OE1-NH1 3.44Å; E128-R150 IonicContact OE1-NH2 3.51Å; E128-R150 IonicContact OE2-CZ 2.71Å; E128-R150 IonicContact OE2-NH1 3.02Å; E128-R150 PolarHBondContact OE2-NH1 3.29Å; E128-R150 IonicContact OE2-NH2 3.81Å; E128-R150 PolarHBondContact OE2-NH2 2.96Å; L147-R150 PolarHBondContact O-N 2.92Å; L147-R150 VanDerWaalsContact O-N 3.12Å
151	T	91.7	Very high	95.5	Very high	102 Å²	102	42.7 Å²	42.7	63%	0.626	24%	0.238	S	C	*	.			trans	-76.8	127.5	178.9	51.5	0	0	0	0	111	I153	T151-I153 WeakPolarHBondContact OG1-CD1 3.4Å
152	C	94.3	Very high	95.5	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.074	23%	0.231	C	C	.	.			trans	-80.4	114.4	173.6	-70.4	0	0	0	0	111	L80 S81 M84 N85	L80-C152 CarbonylContact O-C 3.48Å; L80-C152 WeakPolarHBondContact O-CA 3.36Å; S81-C152 WeakPolarHBondContact O-CB 3.44Å; M84-C152 HydrophobicContact CB-CB 4.2Å; N85-C152 PolarHBondContact ND2-O 2.91Å
153	I	94.1	Very high	95.5	Very high	94 Å²	94	42 Å²	42	48%	0.482	23%	0.226	S	C	.	.			trans	-139.3	144.1	-169.7	-58.5	174.3	0	0	0	110.9	L80 D124 T151	L80-I153 PolarHBondContact O-N 2.93Å; L80-I153 VanDerWaalsContact O-N 3.09Å; D124-I153 PolarHBondContact N-O 3.37Å; D124-I153 VanDerWaalsContact N-O 3.15Å; T151-I153 WeakPolarHBondContact OG1-CD1 3.4Å
154	G	94.6	Very high	95.6	Very high	20 Å²	20	43.7 Å²	43.7	21%	0.206	23%	0.233	C	C	.	.	S	Bend	trans	68.6	-160.1	170.5	0	0	0	0	0	112.8	S81 Q82	S81-G154 CarbonylContact C-O 3.59Å; S81-G154 VanDerWaalsContact CA-O 3.28Å; S81-G154 WeakPolarHBondContact CA-O 3.39Å; S81-G154 WeakPolarHBondContact CB-O 3.2Å; Q82-G154 PolarHBondContact N-O 2.79Å
155	E	95	Very high	95.5	Very high	62 Å²	62	43.7 Å²	43.7	29%	0.29	23%	0.233	S	C	.	.			trans	-101.7	152.4	179.5	-65.4	-61.8	148	0	0	110.6	D124 R125 S184 T186 C188	D124-E155 PolarHBondContact N-O 3.3Å; D124-E155 VanDerWaalsContact N-O 3.12Å; R125-E155 PolarHBondContact N-O 3.18Å; E155-S184 PolarHBondContact OE2-OG 3.4Å; E155-T186 PolarHBondContact OE2-OG1 3.13Å; E155-C188 HydrophobicContact CB-CB 4.1Å; E155-C188 VanDerWaalsContact CB-SG 3.56Å
156	P	96.7	Very high	95.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.			trans	-76.9	156.6	174.2	33.2	-30.8	0	0	0	110.8	T122 M182 T186 C188	T122-P156 HydrophobicContact CG2-CB 3.64Å; P156-M182 HydrophobicContact CB-CE 3.84Å; P156-M182 HydrophobicContact CG-CE 3.6Å; P156-T186 WeakPolarHBondContact CD-O 3.41Å; P156-T186 VanDerWaalsContact CG-O 3.26Å; P156-T186 WeakPolarHBondContact CG-O 3.42Å; P156-C188 PolarHBondContact O-N 3.28Å
157	S	96.9	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.			trans	-115.6	105.3	159.7	175.2	0	0	0	0	109.3	T122 R125 N160 A161 C188 D189	T122-S157 PolarHBondContact OG1-N 3.35Å; T122-S157 PolarHBondContact OG1-O 3.25Å; R125-S157 WeakPolarHBondContact O-CB 3.27Å; S157-N160 WeakPolarHBondContact OG-CB 3.26Å; S157-N160 PolarHBondContact OG-N 2.87Å; S157-N160 PolarHBondContact OG-ND2 3.25Å; S157-N160 VanDerWaalsContact OG-ND2 3.1Å; S157-A161 PolarHBondContact O-N 2.94Å; S157-C188 WeakPolarHBondContact CB-O 3.5Å; S157-D189 VanDerWaalsContact CA-OD1 3.28Å; S157-D189 WeakPolarHBondContact CA-OD1 3.46Å; S157-D189 PolarHBondContact OG-OD1 3.29Å
158	L	97	Very high	95.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-42.1	176.1	179.2	57.6	0	0	0	110.8	N160 A161 L162 V180 T187 D189 I193 Y219 L222	L158-N160 PolarHBondContact O-N 3.4Å; L158-A161 PolarHBondContact O-N 2.8Å; L158-L162 HydrophobicContact CD1-CD1 4.09Å; L158-L162 HydrophobicContact CD1-CD2 4.39Å; L158-L162 HydrophobicContact CD1-CG 3.99Å; L158-L162 HydrophobicContact CG-CD1 3.87Å; L158-L162 HydrophobicContact CG-CG 4.22Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.34Å; L158-L162 PolarHBondContact O-N 3.19Å; L158-V180 HydrophobicContact CD1-CG1 3.85Å; L158-V180 HydrophobicContact CD1-CG2 4.45Å; L158-T187 HydrophobicContact CB-CG2 4.45Å; L158-T187 VanDerWaalsContact CB-OG1 3.28Å; L158-T187 WeakPolarHBondContact CB-OG1 3.46Å; L158-T187 PolarHBondContact N-OG1 2.89Å; L158-D189 PolarHBondContact N-OD1 3Å; L158-I193 HydrophobicContact CB-CD1 4.06Å; L158-I193 HydrophobicContact CD2-CD1 3.68Å; L158-I193 HydrophobicContact CG-CD1 3.85Å; L158-Y219 HydrophobicContact CD2-CD1 3.7Å; L158-Y219 HydrophobicContact CD2-CE1 3.72Å; L158-L222 HydrophobicContact CD1-CD2 4.49Å; L158-L222 HydrophobicContact CD2-CD2 4.23Å
159	Q	97.4	Very high	95.4	Very high	7 Å²	7	41 Å²	41	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-48.7	-178.5	-172.7	-171.1	7.1	0	0	111.8	A161 L162 L163 D189 S191 T196	Q159-A161 VanDerWaalsContact C-N 3.26Å; Q159-A161 PolarHBondContact O-N 3.36Å; Q159-L162 PolarHBondContact O-N 3.23Å; Q159-L163 HydrophobicContact CG-CD1 4Å; Q159-L163 HydrophobicContact CG-CG 4.38Å; Q159-L163 WeakPolarHBondContact O-CG 2.92Å; Q159-L163 PolarHBondContact O-N 2.82Å; Q159-D189 HydrophobicContact CB-CB 3.62Å; Q159-D189 VanDerWaalsContact CB-OD1 3.25Å; Q159-D189 WeakPolarHBondContact CB-OD1 3.46Å; Q159-D189 PolarHBondContact N-OD1 3.43Å; Q159-S191 PolarHBondContact NE2-OG 3.02Å; Q159-S191 PolarHBondContact OE1-O 3.05Å; Q159-S191 PolarHBondContact OE1-OG 3.06Å; Q159-T196 HydrophobicContact CG-CG2 4.34Å; Q159-T196 WeakPolarHBondContact CG-OG1 3.41Å; Q159-T196 PolarHBondContact NE2-OG1 3.28Å
160	N	97.3	Very high	95.3	Very high	51 Å²	51	40.4 Å²	40.4	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-61.8	-37.7	179.2	-73.2	-28.8	0	0	0	111.5	R125 A127 S157 L158 L164	R125-N160 PolarHBondContact O-ND2 2.93Å; A127-N160 HydrophobicContact CB-CB 3.85Å; S157-N160 WeakPolarHBondContact OG-CB 3.26Å; S157-N160 PolarHBondContact OG-N 2.87Å; S157-N160 PolarHBondContact OG-ND2 3.25Å; S157-N160 VanDerWaalsContact OG-ND2 3.1Å; L158-N160 PolarHBondContact O-N 3.4Å; N160-L164 VanDerWaalsContact O-CB 3.29Å; N160-L164 WeakPolarHBondContact O-CB 3.43Å; N160-L164 PolarHBondContact O-N 3.32Å
161	A	97.8	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.7	-41.7	178	0	0	0	0	0	111.8	I77 I120 A127 S157 L158 Q159 L164 A165	I77-A161 HydrophobicContact CD1-CB 3.88Å; I77-A161 HydrophobicContact CG1-CB 4.39Å; I77-A161 HydrophobicContact CG2-CB 3.77Å; I120-A161 HydrophobicContact CG2-CB 3.96Å; A127-A161 VanDerWaalsContact CB-CA 3.43Å; A127-A161 HydrophobicContact CB-CB 3.76Å; A127-A161 VanDerWaalsContact CB-N 3.32Å; S157-A161 PolarHBondContact O-N 2.94Å; L158-A161 PolarHBondContact O-N 2.8Å; Q159-A161 VanDerWaalsContact C-N 3.26Å; Q159-A161 PolarHBondContact O-N 3.36Å; A161-L164 PolarHBondContact O-N 3.15Å; A161-A165 PolarHBondContact O-N 3.24Å; A161-A165 VanDerWaalsContact O-N 3.08Å
162	L	97.9	Very high	94.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-46.1	176.1	-70.3	175.9	0	0	0	112.3	I77 L158 Q159 L164 A165 E166 I178 T196 L200 L222	I77-L162 HydrophobicContact CD1-CD2 4.08Å; L158-L162 HydrophobicContact CD1-CD1 4.09Å; L158-L162 HydrophobicContact CD1-CD2 4.39Å; L158-L162 HydrophobicContact CD1-CG 3.99Å; L158-L162 HydrophobicContact CG-CD1 3.87Å; L158-L162 HydrophobicContact CG-CG 4.22Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.34Å; L158-L162 PolarHBondContact O-N 3.19Å; Q159-L162 PolarHBondContact O-N 3.23Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 2.91Å; L162-A165 PolarHBondContact O-N 3.43Å; L162-E166 VanDerWaalsContact O-CB 3.3Å; L162-E166 WeakPolarHBondContact O-CB 3.4Å; L162-E166 PolarHBondContact O-N 2.94Å; L162-I178 HydrophobicContact CD2-CD1 4.05Å; L162-I178 HydrophobicContact CD2-CG2 4.18Å; L162-T196 HydrophobicContact CB-CG2 4.12Å; L162-L200 HydrophobicContact CB-CD1 4.18Å; L162-L200 HydrophobicContact CD1-CD1 3.95Å; L162-L200 HydrophobicContact CD2-CD1 3.94Å; L162-L200 HydrophobicContact CG-CD1 4.24Å; L162-L222 HydrophobicContact CD1-CD1 4.1Å; L162-L222 HydrophobicContact CD1-CD2 4.04Å; L162-L222 HydrophobicContact CD2-CD2 4.25Å
163	L	97.1	Very high	94	Very high	69 Å²	69	48 Å²	48	36%	0.361	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-38.3	177.3	-71.1	173.2	0	0	0	111.8	Q159 E166 S167 T196	Q159-L163 HydrophobicContact CG-CD1 4Å; Q159-L163 HydrophobicContact CG-CG 4.38Å; Q159-L163 WeakPolarHBondContact O-CG 2.92Å; Q159-L163 PolarHBondContact O-N 2.82Å; L163-E166 PolarHBondContact O-N 3.35Å; L163-S167 WeakPolarHBondContact O-CB 3.11Å; L163-S167 PolarHBondContact O-N 3.17Å; L163-T196 HydrophobicContact CD2-CG2 3.89Å; L163-T196 HydrophobicContact CG-CG2 4.08Å
164	L	96.5	Very high	93.5	Very high	48 Å²	48	45.4 Å²	45.4	25%	0.251	22%	0.22	S	C	.	.	H	α-helix	trans	-64.3	-43.3	176.6	-172.9	60.3	0	0	0	111.5	I120 A127 R129 N160 A161 L162 S167	I120-L164 HydrophobicContact CD1-CB 4.21Å; I120-L164 HydrophobicContact CD1-CD2 4.21Å; I120-L164 HydrophobicContact CD1-CG 4.1Å; I120-L164 HydrophobicContact CG1-CD2 4.23Å; I120-L164 HydrophobicContact CG2-CD2 4.15Å; A127-L164 HydrophobicContact CB-CD2 4.44Å; R129-L164 HydrophobicContact CB-CD2 3.81Å; R129-L164 HydrophobicContact CB-CG 4.47Å; N160-L164 VanDerWaalsContact O-CB 3.29Å; N160-L164 WeakPolarHBondContact O-CB 3.43Å; N160-L164 PolarHBondContact O-N 3.32Å; A161-L164 PolarHBondContact O-N 3.15Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 2.91Å; L164-S167 PolarHBondContact O-OG 3.32Å
165	A	97	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-47.5	173.4	0	0	0	0	0	112	F75 I120 A161 L162 S167 R168 L169 I178	F75-A165 HydrophobicContact CB-CB 4.04Å; F75-A165 HydrophobicContact CD2-CB 3.86Å; F75-A165 HydrophobicContact CG-CB 3.95Å; I120-A165 HydrophobicContact CD1-CB 3.84Å; A161-A165 PolarHBondContact O-N 3.24Å; A161-A165 VanDerWaalsContact O-N 3.08Å; L162-A165 PolarHBondContact O-N 3.43Å; A165-S167 VanDerWaalsContact C-N 3.29Å; A165-S167 PolarHBondContact O-N 2.9Å; A165-R168 PolarHBondContact O-N 3.41Å; A165-R168 VanDerWaalsContact O-N 3.12Å; A165-L169 HydrophobicContact CB-CD1 4.5Å; A165-L169 WeakPolarHBondContact O-CG 3.37Å; A165-L169 PolarHBondContact O-N 3.32Å; A165-I178 HydrophobicContact CB-CD1 3.64Å; A165-I178 HydrophobicContact CB-CG1 4.18Å
166	E	96.2	Very high	93.1	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.07	21%	0.208	C	C	.	.	H	α-helix	trans	-57.5	-40.8	179.8	-176.6	177	-151.6	0	0	112.1	L162 L163 R168 L169 K170 S199 L200 N203 I205	L162-E166 VanDerWaalsContact O-CB 3.3Å; L162-E166 WeakPolarHBondContact O-CB 3.4Å; L162-E166 PolarHBondContact O-N 2.94Å; L163-E166 PolarHBondContact O-N 3.35Å; E166-R168 PolarHBondContact O-N 3.44Å; E166-L169 PolarHBondContact O-N 2.86Å; E166-K170 VanDerWaalsContact O-CB 3.28Å; E166-K170 WeakPolarHBondContact O-CB 3.47Å; E166-K170 PolarHBondContact O-N 2.86Å; E166-S199 WeakPolarHBondContact OE1-CB 3.29Å; E166-S199 PolarHBondContact OE1-OG 3.23Å; E166-L200 HydrophobicContact CB-CD2 3.88Å; E166-L200 HydrophobicContact CG-CD2 4.08Å; E166-N203 PolarHBondContact OE1-ND2 2.83Å; E166-I205 HydrophobicContact CB-CD1 4.36Å; E166-I205 HydrophobicContact CG-CD1 4.04Å
167	S	94.9	Very high	93	Very high	58 Å²	58	44.4 Å²	44.4	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-55.4	-25.7	179.4	76.2	0	0	0	0	113.7	L163 L164 A165 Y171	L163-S167 WeakPolarHBondContact O-CB 3.11Å; L163-S167 PolarHBondContact O-N 3.17Å; L164-S167 PolarHBondContact O-OG 3.32Å; A165-S167 VanDerWaalsContact C-N 3.29Å; A165-S167 PolarHBondContact O-N 2.9Å; S167-Y171 WeakPolarHBondContact O-CE2 3.28Å
168	R	92.7	Very high	93.1	Very high	126 Å²	126	44.4 Å²	44.4	48%	0.475	21%	0.21	S	C	.	.	H	α-helix	trans	-98.6	-44	176.9	-64.9	-58.2	-173	171.8	0.3	112.4	F75 A165 E166 K170	F75-R168 HydrophobicContact CE2-CB 3.97Å; F75-R168 HydrophobicContact CZ-CB 4.13Å; F75-R168 HydrophobicContact CZ-CG 4.37Å; A165-R168 PolarHBondContact O-N 3.41Å; A165-R168 VanDerWaalsContact O-N 3.12Å; E166-R168 PolarHBondContact O-N 3.44Å; R168-K170 VanDerWaalsContact C-N 3.33Å; R168-K170 PolarHBondContact O-N 3.34Å
169	L	93.6	Very high	93.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-26.7	-176.5	-66.4	177.3	0	0	0	113.4	H73 F75 A165 E166 Y171 T172 N176 I178 I205	H73-L169 HydrophobicContact CB-CD2 3.7Å; F75-L169 HydrophobicContact CD2-CD1 3.86Å; F75-L169 HydrophobicContact CD2-CD2 3.92Å; F75-L169 HydrophobicContact CD2-CG 3.76Å; F75-L169 HydrophobicContact CE2-CD2 4.02Å; F75-L169 HydrophobicContact CE2-CG 3.93Å; A165-L169 HydrophobicContact CB-CD1 4.5Å; A165-L169 WeakPolarHBondContact O-CG 3.37Å; A165-L169 PolarHBondContact O-N 3.32Å; E166-L169 PolarHBondContact O-N 2.86Å; L169-Y171 PolarHBondContact O-N 2.85Å; L169-Y171 VanDerWaalsContact O-N 3.12Å; L169-T172 PolarHBondContact O-N 3.4Å; L169-T172 PolarHBondContact O-OG1 2.94Å; L169-N176 HydrophobicContact CB-CB 4.18Å; L169-N176 HydrophobicContact CD1-CB 4.3Å; L169-N176 HydrophobicContact CD2-CB 4.2Å; L169-N176 HydrophobicContact CG-CB 4.46Å; L169-N176 PolarHBondContact O-ND2 2.98Å; L169-I178 HydrophobicContact CD1-CD1 4.11Å; L169-I178 HydrophobicContact CD1-CG1 3.76Å; L169-I205 HydrophobicContact CB-CD1 3.85Å; L169-I205 HydrophobicContact CB-CG1 4.31Å; L169-I205 HydrophobicContact CD1-CD1 4.42Å; L169-I205 HydrophobicContact CD1-CG2 3.9Å
170	K	91.2	Very high	93.1	Very high	114 Å²	114	44.1 Å²	44.1	50%	0.496	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.9	-177.7	-177.6	175.4	-179	179.2	0	113.8	E166 R168	E166-K170 VanDerWaalsContact O-CB 3.28Å; E166-K170 WeakPolarHBondContact O-CB 3.47Å; E166-K170 PolarHBondContact O-N 2.86Å; R168-K170 VanDerWaalsContact C-N 3.33Å; R168-K170 PolarHBondContact O-N 3.34Å
171	Y	86.6	Confident	93.1	Very high	184 Å²	184	41.7 Å²	41.7	72%	0.722	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.8	-174.7	-58.2	-74.1	0	0	0	113.5	S167 L169	S167-Y171 WeakPolarHBondContact O-CE2 3.28Å; L169-Y171 PolarHBondContact O-N 2.85Å; L169-Y171 VanDerWaalsContact O-N 3.12Å
172	T	83.2	Confident	93.1	Very high	37 Å²	37	41.7 Å²	41.7	23%	0.227	20%	0.196	C	C	.	.			trans	-92.8	136.7	-176.8	50.8	0	0	0	0	110.3	H73 L169 H174 N176	H73-T172 VanDerWaalsContact ND1-CG2 3.33Å; H73-T172 WeakPolarHBondContact ND1-CG2 3.06Å; L169-T172 PolarHBondContact O-N 3.4Å; L169-T172 PolarHBondContact O-OG1 2.94Å; T172-H174 PolarHBondContact O-N 3.05Å; T172-N176 PolarHBondContact OG1-ND2 2.94Å; T172-N176 PolarHBondContact OG1-OD1 2.7Å
173	I	79.9	Confident	93	Very high	121 Å²	121	41.9 Å²	41.9	62%	0.621	20%	0.198	S	C	*	.	S	Bend	trans	-81.5	1.4	177.7	60.5	170.2	0	0	0	113.1	I261	I173-I261 HydrophobicContact CD1-CD1 4.28Å; I173-I261 HydrophobicContact CD1-CG1 4.08Å
174	H	84.1	Confident	92.9	Very high	41 Å²	41	38.9 Å²	38.9	19%	0.19	18%	0.183	C	C	.	.	S	Bend	trans	-96.9	175.2	-171.5	-54.9	-64.1	0	0	0	111.7	M71 H73 T172 N176	M71-H174 HydrophobicContact CB-CB 4.4Å; M71-H174 VanDerWaalsContact CE-CE1 3.42Å; M71-H174 WeakPolarHBondContact CE-CE1 3.36Å; H73-H174 AromaticContact CE1-CD2 3.28Å; H73-H174 PolarHBondContact CE1-CD2 3.02Å; H73-H174 AromaticContact ND1-CD2 3.93Å; H73-H174 AromaticContact NE2-CD2 3.35Å; H73-H174 PolarHBondContact NE2-CD2 3.24Å; H73-H174 AromaticContact NE2-CG 3.92Å; T172-H174 PolarHBondContact O-N 3.05Å; H174-N176 PolarHBondContact O-N 3.43Å; H174-N176 PolarHBondContact O-OD1 3.03Å
175	H	88.5	Confident	92.7	Very high	38 Å²	38	41.1 Å²	41.1	18%	0.176	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.2	176	-173.1	-89.4	0	0	0	110	M71 R72 H73 E177 P250	M71-H175 PolarHBondContact O-N 3.05Å; M71-H175 VanDerWaalsContact O-N 3.09Å; R72-H175 WeakPolarHBondContact CA-O 3.43Å; H73-H175 PolarHBondContact N-O 2.97Å; H175-E177 WeakPolarHBondContact CE1-CG 3.44Å; H175-E177 IonicContact CE1-OE1 3.07Å; H175-E177 PolarHBondContact CE1-OE1 3.3Å; H175-E177 IonicContact CG-OE1 3.08Å; H175-E177 VanDerWaalsContact ND1-CG 3.3Å; H175-E177 WeakPolarHBondContact ND1-CG 3.4Å; H175-E177 IonicContact ND1-OE1 3.2Å; H175-E177 PolarHBondContact ND1-OE1 2.67Å; H175-P250 WeakPolarHBondContact CE1-CG 3.28Å
176	N	93	Very high	92.6	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.2	-171.6	-66.8	-30.7	0	0	0	111.1	L169 T172 H174 I205 R206	L169-N176 HydrophobicContact CB-CB 4.18Å; L169-N176 HydrophobicContact CD1-CB 4.3Å; L169-N176 HydrophobicContact CD2-CB 4.2Å; L169-N176 HydrophobicContact CG-CB 4.46Å; L169-N176 PolarHBondContact O-ND2 2.98Å; T172-N176 PolarHBondContact OG1-ND2 2.94Å; T172-N176 PolarHBondContact OG1-OD1 2.7Å; H174-N176 PolarHBondContact O-N 3.43Å; H174-N176 PolarHBondContact O-OD1 3.03Å; N176-I205 HydrophobicContact CB-CB 4.49Å; N176-I205 HydrophobicContact CB-CG1 4.01Å; N176-I205 HydrophobicContact CB-CG2 4.42Å; N176-R206 PolarHBondContact O-N 2.84Å
177	E	94.9	Very high	92.5	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.1	-174.9	-67.8	173.2	-132.9	0	0	111.8	R72 H73 L74 F75 H175 R206 P250	R72-E177 IonicContact CZ-OE1 3.9Å; R72-E177 IonicContact CZ-OE2 3.29Å; R72-E177 IonicContact NE-OE1 3.01Å; R72-E177 PolarHBondContact NE-OE1 3.44Å; R72-E177 IonicContact NE-OE2 2.74Å; R72-E177 PolarHBondContact NE-OE2 3.29Å; R72-E177 IonicContact NH2-OE1 3.92Å; R72-E177 IonicContact NH2-OE2 3.77Å; R72-E177 PolarHBondContact NH2-OE2 3.07Å; H73-E177 PolarHBondContact O-N 3.31Å; L74-E177 CarbonylContact C-O 3.57Å; L74-E177 WeakPolarHBondContact CA-O 3.33Å; L74-E177 HydrophobicContact CB-CB 4.35Å; L74-E177 HydrophobicContact CD1-CB 4.37Å; L74-E177 HydrophobicContact CG-CB 4.26Å; F75-E177 PolarHBondContact N-O 2.74Å; H175-E177 WeakPolarHBondContact CE1-CG 3.44Å; H175-E177 IonicContact CE1-OE1 3.07Å; H175-E177 PolarHBondContact CE1-OE1 3.3Å; H175-E177 IonicContact CG-OE1 3.08Å; H175-E177 VanDerWaalsContact ND1-CG 3.3Å; H175-E177 WeakPolarHBondContact ND1-CG 3.4Å; H175-E177 IonicContact ND1-OE1 3.2Å; H175-E177 PolarHBondContact ND1-OE1 2.67Å; E177-R206 CarbonylContact C-O 3.17Å; E177-R206 VanDerWaalsContact CA-O 3.31Å; E177-R206 WeakPolarHBondContact CA-O 3.45Å; E177-P250 WeakPolarHBondContact OE1-CD 3.27Å; E177-P250 WeakPolarHBondContact OE1-CG 3.33Å
178	I	97.7	Very high	92.5	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.4	168.8	-59	178.1	0	0	0	107.6	F75 I77 L162 A165 L169 V180 L200 I205 R206 C207 S208	F75-I178 HydrophobicContact CB-CG1 4.48Å; F75-I178 CarbonylContact O-C 3.54Å; F75-I178 WeakPolarHBondContact O-CA 3.35Å; I77-I178 HydrophobicContact CD1-CG2 3.49Å; I77-I178 VanDerWaalsContact CD1-CG2 3.49Å; I77-I178 HydrophobicContact CG1-CG2 4.03Å; L162-I178 HydrophobicContact CD2-CD1 4.05Å; L162-I178 HydrophobicContact CD2-CG2 4.18Å; A165-I178 HydrophobicContact CB-CD1 3.64Å; A165-I178 HydrophobicContact CB-CG1 4.18Å; L169-I178 HydrophobicContact CD1-CD1 4.11Å; L169-I178 HydrophobicContact CD1-CG1 3.76Å; I178-V180 HydrophobicContact CG2-CG2 3.8Å; I178-L200 HydrophobicContact CD1-CD2 4.19Å; I178-I205 HydrophobicContact CD1-CG2 3.72Å; I178-I205 HydrophobicContact CG1-CG2 3.8Å; I178-R206 PolarHBondContact N-O 2.94Å; I178-C207 HydrophobicContact CB-CB 4.38Å; I178-C207 CarbonylContact O-C 3.54Å; I178-C207 VanDerWaalsContact O-CA 3.3Å; I178-C207 WeakPolarHBondContact O-CA 3.28Å; I178-S208 PolarHBondContact O-N 2.81Å
179	V	97.7	Very high	92.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.1	171.3	178.4	0	0	0	0	107.9	L74 F75 L76 I77 L181 S208 I210 L246	L74-V179 HydrophobicContact CD1-CG2 3.85Å; L74-V179 HydrophobicContact CD2-CG2 4.38Å; L74-V179 HydrophobicContact CG-CG2 4.24Å; F75-V179 PolarHBondContact O-N 2.86Å; L76-V179 CarbonylContact C-O 3.54Å; L76-V179 WeakPolarHBondContact CA-O 3.2Å; L76-V179 HydrophobicContact CD1-CB 4.04Å; L76-V179 HydrophobicContact CD1-CG1 3.93Å; I77-V179 PolarHBondContact N-O 3.31Å; V179-L181 HydrophobicContact CG1-CD2 4.34Å; V179-S208 CarbonylContact C-O 3.49Å; V179-S208 WeakPolarHBondContact CA-O 3.22Å; V179-I210 HydrophobicContact CG1-CD1 4.31Å; V179-L246 HydrophobicContact CG1-CD1 3.86Å; V179-L246 HydrophobicContact CG2-CD1 4.05Å
180	V	98	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.1	-176.9	-164.2	0	0	0	0	109.7	I77 L158 I178 M182 S208 V209 I210 L222	I77-V180 HydrophobicContact CB-CB 4.46Å; I77-V180 HydrophobicContact CB-CG1 4.08Å; I77-V180 HydrophobicContact CB-CG2 4.4Å; I77-V180 HydrophobicContact CD1-CG2 4.25Å; I77-V180 HydrophobicContact CG2-CG1 4.01Å; L158-V180 HydrophobicContact CD1-CG1 3.85Å; L158-V180 HydrophobicContact CD1-CG2 4.45Å; I178-V180 HydrophobicContact CG2-CG2 3.8Å; V180-M182 HydrophobicContact CG1-CG 3.5Å; V180-M182 HydrophobicContact CG1-SD 3.65Å; V180-S208 PolarHBondContact N-O 3.49Å; V180-V209 HydrophobicContact CB-CB 4.5Å; V180-V209 HydrophobicContact CB-CG1 4.21Å; V180-V209 HydrophobicContact CB-CG2 4.2Å; V180-V209 HydrophobicContact CG2-CG2 4.22Å; V180-I210 PolarHBondContact O-N 3.18Å; V180-L222 HydrophobicContact CG2-CD2 4.48Å
181	L	97.5	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.1	173.2	-54.4	-175.2	0	0	0	108.6	L76 I77 I78 D79 T97 A101 V179 I210 L243	L76-L181 HydrophobicContact CD1-CD1 4.02Å; L76-L181 HydrophobicContact CD1-CG 4.05Å; I77-L181 PolarHBondContact O-N 3.03Å; I78-L181 HydrophobicContact CG1-CD1 4.33Å; D79-L181 VanDerWaalsContact CB-O 3.25Å; D79-L181 WeakPolarHBondContact CB-O 3.42Å; D79-L181 PolarHBondContact N-O 3.32Å; T97-L181 HydrophobicContact CG2-CB 4.13Å; T97-L181 HydrophobicContact CG2-CD1 3.57Å; T97-L181 HydrophobicContact CG2-CG 4.45Å; A101-L181 HydrophobicContact CB-CD1 4.46Å; V179-L181 HydrophobicContact CG1-CD2 4.34Å; L181-I210 HydrophobicContact CD2-CB 3.71Å; L181-I210 HydrophobicContact CD2-CD1 3.62Å; L181-I210 HydrophobicContact CD2-CG1 4.09Å; L181-I210 HydrophobicContact CD2-CG2 4.24Å; L181-L243 HydrophobicContact CD2-CD2 4.23Å
182	M	96.9	Very high	93.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.5	-176	-64.5	-60.9	-70.3	0	0	112	D79 P156 V180 V209 I210 S211 L212 Y219	D79-M182 HydrophobicContact CB-SD 4.02Å; P156-M182 HydrophobicContact CB-CE 3.84Å; P156-M182 HydrophobicContact CG-CE 3.6Å; V180-M182 HydrophobicContact CG1-CG 3.5Å; V180-M182 HydrophobicContact CG1-SD 3.65Å; M182-V209 HydrophobicContact CG-CG1 4.5Å; M182-I210 PolarHBondContact N-O 3.34Å; M182-S211 WeakPolarHBondContact O-CA 3.49Å; M182-L212 PolarHBondContact O-N 3.43Å; M182-Y219 HydrophobicContact CB-CD2 4.23Å; M182-Y219 HydrophobicContact CB-CE2 3.73Å; M182-Y219 HydrophobicContact CE-CE1 4.19Å; M182-Y219 HydrophobicContact CE-CE2 4.47Å; M182-Y219 VanDerWaalsContact CE-OH 3.24Å; M182-Y219 WeakPolarHBondContact CE-OH 3.31Å; M182-Y219 HydrophobicContact CG-CD2 4.44Å; M182-Y219 HydrophobicContact CG-CE1 4.46Å; M182-Y219 HydrophobicContact CG-CE2 4.06Å
183	A	95.9	Very high	93.9	Very high	4 Å²	4	37 Å²	37	3%	0.033	21%	0.212	C	C	.	.			trans	-102	-41.2	169.8	0	0	0	0	0	111.4	D79 A83 M84 L212	D79-A183 PolarHBondContact OD2-N 3.48Å; A83-A183 HydrophobicContact CB-CB 3.94Å; M84-A183 HydrophobicContact CG-CB 3.86Å; M84-A183 HydrophobicContact SD-CB 3.6Å; M84-A183 VanDerWaalsContact SD-CB 3.6Å; A183-L212 HydrophobicContact CB-CD1 3.93Å
184	S	94.7	Very high	94.7	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.049	20%	0.197	C	C	.	.			trans	-68.4	139.2	-174.6	-166.5	0	0	0	0	112.2	D79 E155 T186 Y219	D79-S184 PolarHBondContact OD2-N 2.76Å; E155-S184 PolarHBondContact OE2-OG 3.4Å; S184-T186 VanDerWaalsContact CB-O 3.32Å; S184-T186 WeakPolarHBondContact CB-O 3.25Å; S184-T186 PolarHBondContact OG-N 3.48Å; S184-T186 PolarHBondContact OG-O 2.83Å; S184-T186 PolarHBondContact OG-OG1 3.35Å; S184-Y219 WeakPolarHBondContact O-CE2 3.41Å; S184-Y219 PolarHBondContact O-OH 3.21Å
185	L	93.7	Very high	95.3	Very high	94 Å²	94	38.4 Å²	38.4	49%	0.492	22%	0.216	S	C	.	.	S	Bend	trans	-74.8	-17.5	171	-61.3	113	0	0	0	112.1	V214	L185-V214 HydrophobicContact CD2-CB 3.67Å; L185-V214 HydrophobicContact CD2-CG1 3.84Å; L185-V214 HydrophobicContact CD2-CG2 3.79Å
186	T	93.5	Very high	95.7	Very high	74 Å²	74	37 Å²	37	45%	0.454	21%	0.21	S	C	.	.			trans	-117.7	145	-177.9	41.1	0	0	0	0	110.8	E155 P156 S184	E155-T186 PolarHBondContact OE2-OG1 3.13Å; P156-T186 WeakPolarHBondContact CD-O 3.41Å; P156-T186 VanDerWaalsContact CG-O 3.26Å; P156-T186 WeakPolarHBondContact CG-O 3.42Å; S184-T186 VanDerWaalsContact CB-O 3.32Å; S184-T186 WeakPolarHBondContact CB-O 3.25Å; S184-T186 PolarHBondContact OG-N 3.48Å; S184-T186 PolarHBondContact OG-O 2.83Å; S184-T186 PolarHBondContact OG-OG1 3.35Å
187	T	94.5	Very high	95.9	Very high	34 Å²	34	36.5 Å²	36.5	21%	0.209	21%	0.207	C	C	.	.			trans	-124.8	133.3	167.8	179.7	0	0	0	0	107.9	L158 D189 Y219	L158-T187 HydrophobicContact CB-CG2 4.45Å; L158-T187 VanDerWaalsContact CB-OG1 3.28Å; L158-T187 WeakPolarHBondContact CB-OG1 3.46Å; L158-T187 PolarHBondContact N-OG1 2.89Å; T187-D189 WeakPolarHBondContact CG2-OD2 3.44Å; T187-D189 VanDerWaalsContact OG1-CG 3.24Å; T187-D189 PolarHBondContact OG1-OD1 2.85Å; T187-D189 PolarHBondContact OG1-OD2 3.09Å; T187-Y219 HydrophobicContact CG2-CE1 4.37Å
188	C	95.8	Very high	95.9	Very high	51 Å²	51	43.1 Å²	43.1	35%	0.345	24%	0.236	S	C	.	.			trans	-106.7	92.3	-179.2	-71.6	0	0	0	0	109.1	R125 E155 P156 S157	R125-C188 HydrophobicContact CG-CB 3.72Å; E155-C188 HydrophobicContact CB-CB 4.1Å; E155-C188 VanDerWaalsContact CB-SG 3.56Å; P156-C188 PolarHBondContact O-N 3.28Å; S157-C188 WeakPolarHBondContact CB-O 3.5Å
189	D	96.2	Very high	95.8	Very high	38 Å²	38	45.1 Å²	45.1	20%	0.203	25%	0.25	C	C	.	.			trans	-108	142.6	-173.5	-65.9	-45.5	0	0	0	112	S157 L158 Q159 T187	S157-D189 VanDerWaalsContact CA-OD1 3.28Å; S157-D189 WeakPolarHBondContact CA-OD1 3.46Å; S157-D189 PolarHBondContact OG-OD1 3.29Å; L158-D189 PolarHBondContact N-OD1 3Å; Q159-D189 HydrophobicContact CB-CB 3.62Å; Q159-D189 VanDerWaalsContact CB-OD1 3.25Å; Q159-D189 WeakPolarHBondContact CB-OD1 3.46Å; Q159-D189 PolarHBondContact N-OD1 3.43Å; T187-D189 WeakPolarHBondContact CG2-OD2 3.44Å; T187-D189 VanDerWaalsContact OG1-CG 3.24Å; T187-D189 PolarHBondContact OG1-OD1 2.85Å; T187-D189 PolarHBondContact OG1-OD2 3.09Å
190	P	95	Very high	95.7	Very high	95 Å²	95	45.1 Å²	45.1	62%	0.617	25%	0.25	S	C	*	.	S	Bend	trans	-71.8	-26.2	-174.6	26.7	-35.1	0	0	0	114.4
191	S	94.6	Very high	95.5	Very high	67 Å²	67	47.9 Å²	47.9	47%	0.469	27%	0.269	S	S	.	.	S	Bend	trans	-139.6	-172.4	178.7	81.6	0	0	0	0	112.3	Q159 I193	Q159-S191 PolarHBondContact NE2-OG 3.02Å; Q159-S191 PolarHBondContact OE1-O 3.05Å; Q159-S191 PolarHBondContact OE1-OG 3.06Å; S191-I193 PolarHBondContact O-N 3.44Å
192	D	95.3	Very high	95.3	Very high	73 Å²	73	52 Å²	52	39%	0.39	30%	0.298	S	S	.	.			trans	-64.8	108.5	179.2	-179.4	12.4	0	0	0	111.8	H194 Q195	D192-H194 PolarHBondContact O-N 3.48Å; D192-H194 WeakPolarHBondContact OD1-CB 3.33Å; D192-H194 IonicContact OD1-CD2 3.4Å; D192-H194 PolarHBondContact OD1-CD2 3.21Å; D192-H194 IonicContact OD1-CG 3.06Å; D192-H194 PolarHBondContact OD1-N 3.13Å; D192-Q195 HydrophobicContact CB-CG 4.21Å; D192-Q195 PolarHBondContact O-N 3.35Å
193	I	95.5	Very high	95.1	Very high	15 Å²	15	53.9 Å²	53.9	8%	0.077	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-27.1	177.6	-170.3	160.9	0	0	0	112.6	L158 S191 Q195 T196 I197 V218	L158-I193 HydrophobicContact CB-CD1 4.06Å; L158-I193 HydrophobicContact CD2-CD1 3.68Å; L158-I193 HydrophobicContact CG-CD1 3.85Å; S191-I193 PolarHBondContact O-N 3.44Å; I193-Q195 VanDerWaalsContact C-N 3.26Å; I193-Q195 PolarHBondContact O-N 3.2Å; I193-T196 WeakPolarHBondContact O-CA 3.29Å; I193-T196 WeakPolarHBondContact O-CB 3.3Å; I193-T196 PolarHBondContact O-N 2.69Å; I193-I197 HydrophobicContact CG1-CD1 4.27Å; I193-I197 HydrophobicContact CG1-CG1 4.32Å; I193-I197 WeakPolarHBondContact O-CG1 3.46Å; I193-I197 PolarHBondContact O-N 3.24Å; I193-V218 HydrophobicContact CD1-CG1 3.85Å; I193-V218 HydrophobicContact CG1-CG1 4.4Å; I193-V218 HydrophobicContact CG2-CG1 3.83Å
194	H	96.1	Very high	94.9	Very high	66 Å²	66	61.6 Å²	61.6	31%	0.306	34%	0.336	S	S	.	.	H	α-helix	trans	-66.1	-29.5	179.2	-67	-73.7	0	0	0	112.6	D192 K198	D192-H194 PolarHBondContact O-N 3.48Å; D192-H194 WeakPolarHBondContact OD1-CB 3.33Å; D192-H194 IonicContact OD1-CD2 3.4Å; D192-H194 PolarHBondContact OD1-CD2 3.21Å; D192-H194 IonicContact OD1-CG 3.06Å; D192-H194 PolarHBondContact OD1-N 3.13Å; H194-K198 WeakPolarHBondContact O-CG 3.32Å; H194-K198 PolarHBondContact O-N 2.8Å
195	Q	96	Very high	94.9	Very high	126 Å²	126	61.3 Å²	61.3	59%	0.589	33%	0.334	S	S	*	.	H	α-helix	trans	-67.6	-39.6	171.4	-63.9	179.5	14.3	0	0	111.3	D192 I193 K198 S199	D192-Q195 HydrophobicContact CB-CG 4.21Å; D192-Q195 PolarHBondContact O-N 3.35Å; I193-Q195 VanDerWaalsContact C-N 3.26Å; I193-Q195 PolarHBondContact O-N 3.2Å; Q195-K198 PolarHBondContact O-N 3.16Å; Q195-S199 PolarHBondContact O-N 3.15Å
196	T	96.5	Very high	94.9	Very high	8 Å²	8	59.8 Å²	59.8	5%	0.049	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-43.2	175.7	-52.5	0	0	0	0	110.7	Q159 L162 L163 I193 K198 S199 L200	Q159-T196 HydrophobicContact CG-CG2 4.34Å; Q159-T196 WeakPolarHBondContact CG-OG1 3.41Å; Q159-T196 PolarHBondContact NE2-OG1 3.28Å; L162-T196 HydrophobicContact CB-CG2 4.12Å; L163-T196 HydrophobicContact CD2-CG2 3.89Å; L163-T196 HydrophobicContact CG-CG2 4.08Å; I193-T196 WeakPolarHBondContact O-CA 3.29Å; I193-T196 WeakPolarHBondContact O-CB 3.3Å; I193-T196 PolarHBondContact O-N 2.69Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3Å; T196-S199 WeakPolarHBondContact O-CB 3.46Å; T196-S199 PolarHBondContact O-N 3.25Å; T196-S199 VanDerWaalsContact O-N 3.13Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 3.27Å
197	I	97	Very high	95.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-42.8	175.1	-63.4	167.1	0	0	0	111.3	I193 S199 L200 S201 L222 L225 T226	I193-I197 HydrophobicContact CG1-CD1 4.27Å; I193-I197 HydrophobicContact CG1-CG1 4.32Å; I193-I197 WeakPolarHBondContact O-CG1 3.46Å; I193-I197 PolarHBondContact O-N 3.24Å; I197-S199 VanDerWaalsContact C-N 3.35Å; I197-L200 PolarHBondContact O-N 3.45Å; I197-S201 PolarHBondContact O-N 3.43Å; I197-L222 HydrophobicContact CD1-CB 4.13Å; I197-L222 HydrophobicContact CG1-CB 4.3Å; I197-L222 HydrophobicContact CG1-CD1 3.87Å; I197-L222 HydrophobicContact CG2-CD1 4.39Å; I197-L225 HydrophobicContact CG2-CB 3.71Å; I197-L225 HydrophobicContact CG2-CD1 3.69Å; I197-L225 HydrophobicContact CG2-CG 4.34Å; I197-T226 HydrophobicContact CG2-CG2 4.47Å
198	K	96.3	Very high	95.2	Very high	151 Å²	151	55 Å²	55	66%	0.657	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-40	175.1	-73.6	174.4	-176.7	179	0	111.8	H194 Q195 T196 S201 S202	H194-K198 WeakPolarHBondContact O-CG 3.32Å; H194-K198 PolarHBondContact O-N 2.8Å; Q195-K198 PolarHBondContact O-N 3.16Å; T196-K198 VanDerWaalsContact C-N 3.33Å; T196-K198 PolarHBondContact O-N 3Å; K198-S201 PolarHBondContact O-N 3.04Å; K198-S202 WeakPolarHBondContact O-CB 3.34Å; K198-S202 PolarHBondContact O-N 3.3Å
199	S	95.9	Very high	95.3	Very high	43 Å²	43	52.5 Å²	52.5	30%	0.301	28%	0.276	S	S	.	.	H	α-helix	trans	-59.8	-48.5	175.1	-169.5	0	0	0	0	111.5	E166 Q195 T196 I197 S201 S202 N203	E166-S199 WeakPolarHBondContact OE1-CB 3.29Å; E166-S199 PolarHBondContact OE1-OG 3.23Å; Q195-S199 PolarHBondContact O-N 3.15Å; T196-S199 WeakPolarHBondContact O-CB 3.46Å; T196-S199 PolarHBondContact O-N 3.25Å; T196-S199 VanDerWaalsContact O-N 3.13Å; I197-S199 VanDerWaalsContact C-N 3.35Å; S199-S201 VanDerWaalsContact C-N 3.35Å; S199-S201 PolarHBondContact O-N 3.47Å; S199-S202 PolarHBondContact O-N 3.5Å; S199-S202 VanDerWaalsContact O-N 3.15Å; S199-S202 PolarHBondContact O-OG 3.41Å; S199-N203 PolarHBondContact O-N 3.5Å; S199-N203 PolarHBondContact O-ND2 2.62Å
200	L	95.8	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-43.9	176.5	-67.5	169.7	0	0	0	112.5	L162 E166 I178 T196 I197 N203 R204 I205 L222 T226	L162-L200 HydrophobicContact CB-CD1 4.18Å; L162-L200 HydrophobicContact CD1-CD1 3.95Å; L162-L200 HydrophobicContact CD2-CD1 3.94Å; L162-L200 HydrophobicContact CG-CD1 4.24Å; E166-L200 HydrophobicContact CB-CD2 3.88Å; E166-L200 HydrophobicContact CG-CD2 4.08Å; I178-L200 HydrophobicContact CD1-CD2 4.19Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 3.27Å; I197-L200 PolarHBondContact O-N 3.45Å; L200-N203 CarbonylContact O-C 3.58Å; L200-N203 PolarHBondContact O-N 2.99Å; L200-R204 PolarHBondContact O-N 3.29Å; L200-R204 VanDerWaalsContact O-N 3.17Å; L200-I205 HydrophobicContact CB-CB 4.49Å; L200-I205 HydrophobicContact CD2-CB 4.21Å; L200-I205 HydrophobicContact CD2-CD1 3.8Å; L200-I205 HydrophobicContact CD2-CG2 4.24Å; L200-I205 PolarHBondContact O-N 3.43Å; L200-L222 HydrophobicContact CD1-CD1 3.92Å; L200-T226 HydrophobicContact CB-CG2 4.12Å
201	S	93.9	Very high	95.4	Very high	58 Å²	58	46.3 Å²	46.3	41%	0.406	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-43.5	176.1	-169.5	0	0	0	0	111.4	I197 K198 S199 N203 R204 L225	I197-S201 PolarHBondContact O-N 3.43Å; K198-S201 PolarHBondContact O-N 3.04Å; S199-S201 VanDerWaalsContact C-N 3.35Å; S199-S201 PolarHBondContact O-N 3.47Å; S201-N203 VanDerWaalsContact C-N 3.29Å; S201-N203 PolarHBondContact O-N 3.18Å; S201-R204 PolarHBondContact O-N 3.42Å; S201-L225 PolarHBondContact OG-O 3.22Å
202	S	93.3	Very high	95.4	Very high	88 Å²	88	43.3 Å²	43.3	62%	0.615	22%	0.216	S	C	*	.	H	α-helix	trans	-64.1	-33.1	176.6	75.2	0	0	0	0	113.3	K198 S199 R204	K198-S202 WeakPolarHBondContact O-CB 3.34Å; K198-S202 PolarHBondContact O-N 3.3Å; S199-S202 PolarHBondContact O-N 3.5Å; S199-S202 VanDerWaalsContact O-N 3.15Å; S199-S202 PolarHBondContact O-OG 3.41Å; S202-R204 VanDerWaalsContact C-N 3.25Å; S202-R204 PolarHBondContact O-N 2.92Å
203	N	92.5	Very high	95	Very high	39 Å²	39	41.7 Å²	41.7	21%	0.209	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	8.3	175.4	-68	-41	0	0	0	112.9	E166 S199 L200 S201 I205	E166-N203 PolarHBondContact OE1-ND2 2.83Å; S199-N203 PolarHBondContact O-N 3.5Å; S199-N203 PolarHBondContact O-ND2 2.62Å; L200-N203 CarbonylContact O-C 3.58Å; L200-N203 PolarHBondContact O-N 2.99Å; S201-N203 VanDerWaalsContact C-N 3.29Å; S201-N203 PolarHBondContact O-N 3.18Å; N203-I205 HydrophobicContact CB-CD1 4.01Å; N203-I205 HydrophobicContact CB-CG1 4.14Å; N203-I205 PolarHBondContact O-N 3.38Å
204	R	91.1	Very high	94.9	Very high	166 Å²	166	44.2 Å²	44.2	63%	0.626	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	36.4	180	-59.4	179.1	172.4	161.6	-9.3	113.5	L200 S201 S202 E255	L200-R204 PolarHBondContact O-N 3.29Å; L200-R204 VanDerWaalsContact O-N 3.17Å; S201-R204 PolarHBondContact O-N 3.42Å; S202-R204 VanDerWaalsContact C-N 3.25Å; S202-R204 PolarHBondContact O-N 2.92Å; R204-E255 IonicContact NH2-OE2 3.38Å; R204-E255 PolarHBondContact NH2-OE2 2.87Å
205	I	94	Very high	94.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.234	C	C	.	.			trans	-91.9	118.1	177.4	-60.7	170.1	0	0	0	109	E166 L169 N176 I178 L200 N203 T226	E166-I205 HydrophobicContact CB-CD1 4.36Å; E166-I205 HydrophobicContact CG-CD1 4.04Å; L169-I205 HydrophobicContact CB-CD1 3.85Å; L169-I205 HydrophobicContact CB-CG1 4.31Å; L169-I205 HydrophobicContact CD1-CD1 4.42Å; L169-I205 HydrophobicContact CD1-CG2 3.9Å; N176-I205 HydrophobicContact CB-CB 4.49Å; N176-I205 HydrophobicContact CB-CG1 4.01Å; N176-I205 HydrophobicContact CB-CG2 4.42Å; I178-I205 HydrophobicContact CD1-CG2 3.72Å; I178-I205 HydrophobicContact CG1-CG2 3.8Å; L200-I205 HydrophobicContact CB-CB 4.49Å; L200-I205 HydrophobicContact CD2-CB 4.21Å; L200-I205 HydrophobicContact CD2-CD1 3.8Å; L200-I205 HydrophobicContact CD2-CG2 4.24Å; L200-I205 PolarHBondContact O-N 3.43Å; N203-I205 HydrophobicContact CB-CD1 4.01Å; N203-I205 HydrophobicContact CB-CG1 4.14Å; N203-I205 PolarHBondContact O-N 3.38Å; I205-T226 WeakPolarHBondContact O-CB 3.28Å
206	R	94.3	Very high	94.8	Very high	62 Å²	62	40.4 Å²	40.4	23%	0.234	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.8	-179.4	-179.4	177.5	173	178.1	-7.7	111.1	N176 E177 I178 T226 Q227	N176-R206 PolarHBondContact O-N 2.84Å; E177-R206 CarbonylContact C-O 3.17Å; E177-R206 VanDerWaalsContact CA-O 3.31Å; E177-R206 WeakPolarHBondContact CA-O 3.45Å; I178-R206 PolarHBondContact N-O 2.94Å; R206-T226 WeakPolarHBondContact CA-O 3.49Å; R206-Q227 PolarHBondContact NE-O 2.71Å; R206-Q227 VanDerWaalsContact NE-O 3.11Å
207	C	96.8	Very high	94.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.6	-178.5	-55.1	0	0	0	0	111.7	I178 L222 A223 T226 G228	I178-C207 HydrophobicContact CB-CB 4.38Å; I178-C207 CarbonylContact O-C 3.54Å; I178-C207 VanDerWaalsContact O-CA 3.3Å; I178-C207 WeakPolarHBondContact O-CA 3.28Å; C207-L222 HydrophobicContact CB-CD1 3.84Å; C207-L222 HydrophobicContact CB-CD2 4.33Å; C207-L222 HydrophobicContact CB-CG 3.91Å; C207-A223 WeakPolarHBondContact O-CA 3.49Å; C207-T226 HydrophobicContact CB-CG2 4.28Å; C207-T226 VanDerWaalsContact CB-OG1 3.27Å; C207-T226 WeakPolarHBondContact CB-OG1 3.28Å; C207-T226 PolarHBondContact N-OG1 2.86Å; C207-T226 PolarHBondContact O-OG1 2.89Å; C207-G228 WeakPolarHBondContact O-CA 3.05Å
208	S	97.1	Very high	94.7	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.9	171.3	-60.9	0	0	0	0	110.6	I178 V179 V180 T229	I178-S208 PolarHBondContact O-N 2.81Å; V179-S208 CarbonylContact C-O 3.49Å; V179-S208 WeakPolarHBondContact CA-O 3.22Å; V180-S208 PolarHBondContact N-O 3.49Å; S208-T229 CarbonylContact C-O 3.49Å; S208-T229 VanDerWaalsContact CA-O 3.22Å; S208-T229 WeakPolarHBondContact CA-O 2.89Å; S208-T229 WeakPolarHBondContact CB-O 3.39Å; S208-T229 WeakPolarHBondContact CB-OG1 3.39Å; S208-T229 PolarHBondContact OG-N 3.45Å; S208-T229 VanDerWaalsContact OG-N 3.13Å; S208-T229 PolarHBondContact OG-OG1 2.68Å; S208-T229 VanDerWaalsContact OG-OG1 3.08Å
209	V	97.8	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.6	-177.2	-173.3	0	0	0	0	110.3	V180 M182 Y219 L222 A223 T229 F230 H231	V180-V209 HydrophobicContact CB-CB 4.5Å; V180-V209 HydrophobicContact CB-CG1 4.21Å; V180-V209 HydrophobicContact CB-CG2 4.2Å; V180-V209 HydrophobicContact CG2-CG2 4.22Å; M182-V209 HydrophobicContact CG-CG1 4.5Å; V209-Y219 HydrophobicContact CG1-CD2 4.4Å; V209-Y219 HydrophobicContact CG1-CG 4.16Å; V209-L222 HydrophobicContact CG2-CD2 3.75Å; V209-L222 HydrophobicContact CG2-CG 4.23Å; V209-A223 HydrophobicContact CG2-CB 4.47Å; V209-T229 PolarHBondContact N-O 2.94Å; V209-F230 HydrophobicContact CB-CD2 4.05Å; V209-F230 HydrophobicContact CB-CE2 4.46Å; V209-F230 HydrophobicContact CG1-CD2 4.42Å; V209-F230 HydrophobicContact CG1-CE2 4.34Å; V209-F230 WeakPolarHBondContact O-CA 3.4Å; V209-H231 PolarHBondContact O-N 3.3Å
210	I	97.6	Very high	94.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.3	174.5	-57.9	173.8	0	0	0	106.7	V179 V180 L181 M182 I233 L239 V242 L243 L246	V179-I210 HydrophobicContact CG1-CD1 4.31Å; V180-I210 PolarHBondContact O-N 3.18Å; L181-I210 HydrophobicContact CD2-CB 3.71Å; L181-I210 HydrophobicContact CD2-CD1 3.62Å; L181-I210 HydrophobicContact CD2-CG1 4.09Å; L181-I210 HydrophobicContact CD2-CG2 4.24Å; M182-I210 PolarHBondContact N-O 3.34Å; I210-I233 HydrophobicContact CG2-CD1 3.49Å; I210-I233 VanDerWaalsContact CG2-CD1 3.49Å; I210-I233 HydrophobicContact CG2-CG1 3.48Å; I210-I233 VanDerWaalsContact CG2-CG1 3.48Å; I210-L239 HydrophobicContact CG2-CD1 3.92Å; I210-V242 HydrophobicContact CD1-CG1 3.63Å; I210-V242 HydrophobicContact CG1-CG1 3.82Å; I210-L243 HydrophobicContact CD1-CD2 3.76Å; I210-L243 HydrophobicContact CD1-CG 4.1Å; I210-L246 HydrophobicContact CD1-CD1 3.89Å
211	S	96.9	Very high	94.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.4	174.4	-171.9	0	0	0	0	109.9	M182 A213 V214 H231 V232 I233	M182-S211 WeakPolarHBondContact O-CA 3.49Å; S211-A213 PolarHBondContact O-N 3.46Å; S211-V214 VanDerWaalsContact CB-O 3.31Å; S211-V214 WeakPolarHBondContact CB-O 3.4Å; S211-V214 PolarHBondContact OG-O 3.31Å; S211-H231 PolarHBondContact N-O 2.91Å; S211-V232 CarbonylContact O-C 3.49Å; S211-V232 WeakPolarHBondContact O-CA 3.28Å; S211-I233 PolarHBondContact O-N 3.25Å
212	L	94.3	Very high	94.9	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	21%	0.207	C	C	.	.	S	Bend	trans	-74.6	-23	-172	-68	176.9	0	0	0	114.7	M84 L89 R93 T97 M182 A183 I233 L239	M84-L212 HydrophobicContact CE-CD1 4.48Å; M84-L212 HydrophobicContact SD-CD1 3.88Å; L89-L212 HydrophobicContact CD1-CD2 4.07Å; R93-L212 HydrophobicContact CB-CD1 4Å; R93-L212 HydrophobicContact CG-CD1 4.32Å; T97-L212 WeakPolarHBondContact OG1-CD1 3.23Å; M182-L212 PolarHBondContact O-N 3.43Å; A183-L212 HydrophobicContact CB-CD1 3.93Å; L212-I233 HydrophobicContact CD2-CB 4.42Å; L212-I233 HydrophobicContact CD2-CG1 4.07Å; L212-L239 HydrophobicContact CD2-CD1 4.27Å; L212-L239 HydrophobicContact CD2-CD2 4.17Å
213	A	87	Confident	95.1	Very high	39 Å²	39	37.3 Å²	37.3	32%	0.322	18%	0.178	S	C	.	.	S	Bend	trans	-140.1	-45.9	-173.7	0	0	0	0	0	114.3	S211 V232	S211-A213 PolarHBondContact O-N 3.46Å; A213-V232 WeakPolarHBondContact O-CG1 3Å
214	V	92.2	Very high	95.2	Very high	69 Å²	69	41.8 Å²	41.8	42%	0.418	20%	0.198	S	C	.	.			trans	-130.7	149.3	-168.9	-177.8	0	0	0	0	111.1	L185 S211	L185-V214 HydrophobicContact CD2-CB 3.67Å; L185-V214 HydrophobicContact CD2-CG1 3.84Å; L185-V214 HydrophobicContact CD2-CG2 3.79Å; S211-V214 VanDerWaalsContact CB-O 3.31Å; S211-V214 WeakPolarHBondContact CB-O 3.4Å; S211-V214 PolarHBondContact OG-O 3.31Å
215	E	94.6	Very high	95.4	Very high	87 Å²	87	38.2 Å²	38.2	41%	0.407	19%	0.191	S	C	.	.			trans	-74.1	124.5	169.2	-175.9	-169.3	143.6	0	0	111.5	R220 F230 V232	E215-R220 WeakPolarHBondContact OE1-CD 3.34Å; E215-R220 IonicContact OE1-CZ 3.33Å; E215-R220 IonicContact OE1-NE 3.73Å; E215-R220 PolarHBondContact OE1-NE 3.02Å; E215-R220 VanDerWaalsContact OE1-NE 3.11Å; E215-R220 IonicContact OE1-NH1 2.77Å; E215-R220 PolarHBondContact OE1-NH1 3.39Å; E215-R220 IonicContact OE1-NH2 3.11Å; E215-R220 PolarHBondContact OE1-NH2 3.26Å; E215-R220 IonicContact OE2-CZ 2.62Å; E215-R220 IonicContact OE2-NE 2.61Å; E215-R220 IonicContact OE2-NH1 3.02Å; E215-R220 PolarHBondContact OE2-NH1 3.35Å; E215-R220 IonicContact OE2-NH2 3.84Å; E215-R220 PolarHBondContact OE2-NH2 3.19Å; E215-F230 HydrophobicContact CB-CE1 4.18Å; E215-F230 HydrophobicContact CB-CZ 4.32Å; E215-F230 HydrophobicContact CG-CE1 3.69Å; E215-F230 HydrophobicContact CG-CZ 3.94Å; E215-V232 HydrophobicContact CB-CG2 4.19Å
216	V	95.4	Very high	95.4	Very high	24 Å²	24	38.5 Å²	38.5	15%	0.145	19%	0.193	C	C	.	.			trans	-111.7	130.5	173.5	-178.4	0	0	0	0	109.2	V218 Y219 R220	V216-V218 VanDerWaalsContact C-N 3.32Å; V216-V218 PolarHBondContact O-N 3.46Å; V216-Y219 HydrophobicContact CB-CD1 4.46Å; V216-Y219 HydrophobicContact CB-CD2 3.46Å; V216-Y219 VanDerWaalsContact CB-CD2 3.46Å; V216-Y219 HydrophobicContact CB-CE2 3.73Å; V216-Y219 HydrophobicContact CB-CG 3.83Å; V216-Y219 HydrophobicContact CG1-CD1 4.36Å; V216-Y219 HydrophobicContact CG1-CD2 4.15Å; V216-Y219 HydrophobicContact CG1-CE1 4.37Å; V216-Y219 HydrophobicContact CG1-CE2 4.16Å; V216-Y219 HydrophobicContact CG1-CG 4.22Å; V216-Y219 HydrophobicContact CG2-CD2 3.72Å; V216-Y219 HydrophobicContact CG2-CE2 3.57Å; V216-Y219 PolarHBondContact O-N 3.4Å; V216-Y219 VanDerWaalsContact O-N 3.11Å; V216-R220 PolarHBondContact O-N 3.44Å
217	F	95.8	Very high	95.2	Very high	150 Å²	150	42.9 Å²	42.9	66%	0.658	22%	0.215	S	C	*	.	H	α-helix	trans	-52.4	-46.9	-176.9	174.3	-101.1	0	0	0	113	Y219 R220 A221	F217-Y219 PolarHBondContact O-N 2.77Å; F217-R220 PolarHBondContact O-N 3.28Å; F217-A221 WeakPolarHBondContact O-CB 3.46Å; F217-A221 PolarHBondContact O-N 3.04Å
218	V	95.6	Very high	95	Very high	30 Å²	30	43.8 Å²	43.8	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-40	-179	177.9	0	0	0	0	111.6	I193 V216 A221 L222	I193-V218 HydrophobicContact CD1-CG1 3.85Å; I193-V218 HydrophobicContact CG1-CG1 4.4Å; I193-V218 HydrophobicContact CG2-CG1 3.83Å; V216-V218 VanDerWaalsContact C-N 3.32Å; V216-V218 PolarHBondContact O-N 3.46Å; V218-A221 PolarHBondContact O-N 3.39Å; V218-L222 WeakPolarHBondContact O-CB 3.46Å; V218-L222 PolarHBondContact O-N 3.1Å
219	Y	96.7	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-41.4	178.9	-60.1	-10.5	0	0	0	111.5	L158 M182 S184 T187 V209 V216 F217 L222 A223	L158-Y219 HydrophobicContact CD2-CD1 3.7Å; L158-Y219 HydrophobicContact CD2-CE1 3.72Å; M182-Y219 HydrophobicContact CB-CD2 4.23Å; M182-Y219 HydrophobicContact CB-CE2 3.73Å; M182-Y219 HydrophobicContact CE-CE1 4.19Å; M182-Y219 HydrophobicContact CE-CE2 4.47Å; M182-Y219 VanDerWaalsContact CE-OH 3.24Å; M182-Y219 WeakPolarHBondContact CE-OH 3.31Å; M182-Y219 HydrophobicContact CG-CD2 4.44Å; M182-Y219 HydrophobicContact CG-CE1 4.46Å; M182-Y219 HydrophobicContact CG-CE2 4.06Å; S184-Y219 WeakPolarHBondContact O-CE2 3.41Å; S184-Y219 PolarHBondContact O-OH 3.21Å; T187-Y219 HydrophobicContact CG2-CE1 4.37Å; V209-Y219 HydrophobicContact CG1-CD2 4.4Å; V209-Y219 HydrophobicContact CG1-CG 4.16Å; V216-Y219 HydrophobicContact CB-CD1 4.46Å; V216-Y219 HydrophobicContact CB-CD2 3.46Å; V216-Y219 VanDerWaalsContact CB-CD2 3.46Å; V216-Y219 HydrophobicContact CB-CE2 3.73Å; V216-Y219 HydrophobicContact CB-CG 3.83Å; V216-Y219 HydrophobicContact CG1-CD1 4.36Å; V216-Y219 HydrophobicContact CG1-CD2 4.15Å; V216-Y219 HydrophobicContact CG1-CE1 4.37Å; V216-Y219 HydrophobicContact CG1-CE2 4.16Å; V216-Y219 HydrophobicContact CG1-CG 4.22Å; V216-Y219 HydrophobicContact CG2-CD2 3.72Å; V216-Y219 HydrophobicContact CG2-CE2 3.57Å; V216-Y219 PolarHBondContact O-N 3.4Å; V216-Y219 VanDerWaalsContact O-N 3.11Å; F217-Y219 PolarHBondContact O-N 2.77Å; Y219-L222 PolarHBondContact O-N 2.66Å; Y219-A223 PolarHBondContact O-N 2.94Å; Y219-A223 VanDerWaalsContact O-N 3.15Å
220	R	96.6	Very high	94.8	Very high	90 Å²	90	47.2 Å²	47.2	34%	0.34	24%	0.242	S	C	.	.	H	α-helix	trans	-62.7	-45	173	172.1	172.5	-81.3	-178.2	-3.6	111.2	E215 V216 F217 L222 A223 Q224 F230	E215-R220 WeakPolarHBondContact OE1-CD 3.34Å; E215-R220 IonicContact OE1-CZ 3.33Å; E215-R220 IonicContact OE1-NE 3.73Å; E215-R220 PolarHBondContact OE1-NE 3.02Å; E215-R220 VanDerWaalsContact OE1-NE 3.11Å; E215-R220 IonicContact OE1-NH1 2.77Å; E215-R220 PolarHBondContact OE1-NH1 3.39Å; E215-R220 IonicContact OE1-NH2 3.11Å; E215-R220 PolarHBondContact OE1-NH2 3.26Å; E215-R220 IonicContact OE2-CZ 2.62Å; E215-R220 IonicContact OE2-NE 2.61Å; E215-R220 IonicContact OE2-NH1 3.02Å; E215-R220 PolarHBondContact OE2-NH1 3.35Å; E215-R220 IonicContact OE2-NH2 3.84Å; E215-R220 PolarHBondContact OE2-NH2 3.19Å; V216-R220 PolarHBondContact O-N 3.44Å; F217-R220 PolarHBondContact O-N 3.28Å; R220-L222 PolarHBondContact O-N 3.36Å; R220-A223 PolarHBondContact O-N 2.82Å; R220-Q224 HydrophobicContact CG-CG 4.29Å; R220-Q224 WeakPolarHBondContact O-CB 3.47Å; R220-Q224 WeakPolarHBondContact O-CG 3.22Å; R220-Q224 PolarHBondContact O-N 2.63Å; R220-F230 HydrophobicContact CB-CD2 4.45Å; R220-F230 HydrophobicContact CB-CG 4.41Å
221	A	96.1	Very high	94.8	Very high	13 Å²	13	49.6 Å²	49.6	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-42.9	178.4	0	0	0	0	0	111.9	F217 V218 A223 Q224 L225	F217-A221 WeakPolarHBondContact O-CB 3.46Å; F217-A221 PolarHBondContact O-N 3.04Å; V218-A221 PolarHBondContact O-N 3.39Å; A221-A223 PolarHBondContact O-N 2.86Å; A221-Q224 PolarHBondContact O-N 2.6Å; A221-L225 VanDerWaalsContact O-CB 3.27Å; A221-L225 WeakPolarHBondContact O-CB 3.3Å; A221-L225 VanDerWaalsContact O-CG 3.26Å; A221-L225 WeakPolarHBondContact O-CG 3.22Å; A221-L225 PolarHBondContact O-N 3.02Å
222	L	97.4	Very high	94.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-50.5	174.2	171.3	64.6	0	0	0	111.1	L158 L162 V180 I197 L200 C207 V209 V218 Y219 R220 T226	L158-L222 HydrophobicContact CD1-CD2 4.49Å; L158-L222 HydrophobicContact CD2-CD2 4.23Å; L162-L222 HydrophobicContact CD1-CD1 4.1Å; L162-L222 HydrophobicContact CD1-CD2 4.04Å; L162-L222 HydrophobicContact CD2-CD2 4.25Å; V180-L222 HydrophobicContact CG2-CD2 4.48Å; I197-L222 HydrophobicContact CD1-CB 4.13Å; I197-L222 HydrophobicContact CG1-CB 4.3Å; I197-L222 HydrophobicContact CG1-CD1 3.87Å; I197-L222 HydrophobicContact CG2-CD1 4.39Å; L200-L222 HydrophobicContact CD1-CD1 3.92Å; C207-L222 HydrophobicContact CB-CD1 3.84Å; C207-L222 HydrophobicContact CB-CD2 4.33Å; C207-L222 HydrophobicContact CB-CG 3.91Å; V209-L222 HydrophobicContact CG2-CD2 3.75Å; V209-L222 HydrophobicContact CG2-CG 4.23Å; V218-L222 WeakPolarHBondContact O-CB 3.46Å; V218-L222 PolarHBondContact O-N 3.1Å; Y219-L222 PolarHBondContact O-N 2.66Å; R220-L222 PolarHBondContact O-N 3.36Å; L222-T226 HydrophobicContact CD1-CG2 4.14Å; L222-T226 WeakPolarHBondContact O-CB 3.33Å; L222-T226 WeakPolarHBondContact O-CG2 3.3Å; L222-T226 PolarHBondContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 2.73Å
223	A	96.7	Very high	94.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-44.9	-178.8	0	0	0	0	0	112.6	C207 V209 Y219 R220 A221 Q227 G228 F230	C207-A223 WeakPolarHBondContact O-CA 3.49Å; V209-A223 HydrophobicContact CG2-CB 4.47Å; Y219-A223 PolarHBondContact O-N 2.94Å; Y219-A223 VanDerWaalsContact O-N 3.15Å; R220-A223 PolarHBondContact O-N 2.82Å; A221-A223 PolarHBondContact O-N 2.86Å; A223-Q227 PolarHBondContact O-N 2.85Å; A223-G228 WeakPolarHBondContact O-CA 3.2Å; A223-G228 PolarHBondContact O-N 2.81Å; A223-F230 HydrophobicContact CB-CB 3.86Å
224	Q	95.3	Very high	95.1	Very high	134 Å²	134	57 Å²	57	63%	0.626	29%	0.286	S	S	*	.	H	α-helix	trans	-66.8	-44.6	-178.8	-72.3	176.8	-18.7	0	0	112.5	R220 A221 T226 Q227	R220-Q224 HydrophobicContact CG-CG 4.29Å; R220-Q224 WeakPolarHBondContact O-CB 3.47Å; R220-Q224 WeakPolarHBondContact O-CG 3.22Å; R220-Q224 PolarHBondContact O-N 2.63Å; A221-Q224 PolarHBondContact O-N 2.6Å; Q224-T226 VanDerWaalsContact C-N 3.27Å; Q224-T226 PolarHBondContact O-N 3.3Å; Q224-Q227 PolarHBondContact O-N 3.17Å
225	L	95.2	Very high	95.1	Very high	91 Å²	91	57.4 Å²	57.4	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-72.8	-19.3	-176.9	-68.4	172.9	0	0	0	113.6	I197 S201 A221	I197-L225 HydrophobicContact CG2-CB 3.71Å; I197-L225 HydrophobicContact CG2-CD1 3.69Å; I197-L225 HydrophobicContact CG2-CG 4.34Å; S201-L225 PolarHBondContact OG-O 3.22Å; A221-L225 VanDerWaalsContact O-CB 3.27Å; A221-L225 WeakPolarHBondContact O-CB 3.3Å; A221-L225 VanDerWaalsContact O-CG 3.26Å; A221-L225 WeakPolarHBondContact O-CG 3.22Å; A221-L225 PolarHBondContact O-N 3.02Å
226	T	93.7	Very high	95.1	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.043	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	13.4	177.9	62.9	0	0	0	0	113.1	I197 L200 I205 R206 C207 L222 Q224 G228	I197-T226 HydrophobicContact CG2-CG2 4.47Å; L200-T226 HydrophobicContact CB-CG2 4.12Å; I205-T226 WeakPolarHBondContact O-CB 3.28Å; R206-T226 WeakPolarHBondContact CA-O 3.49Å; C207-T226 HydrophobicContact CB-CG2 4.28Å; C207-T226 VanDerWaalsContact CB-OG1 3.27Å; C207-T226 WeakPolarHBondContact CB-OG1 3.28Å; C207-T226 PolarHBondContact N-OG1 2.86Å; C207-T226 PolarHBondContact O-OG1 2.89Å; L222-T226 HydrophobicContact CD1-CG2 4.14Å; L222-T226 WeakPolarHBondContact O-CB 3.33Å; L222-T226 WeakPolarHBondContact O-CG2 3.3Å; L222-T226 PolarHBondContact O-N 3.14Å; L222-T226 PolarHBondContact O-OG1 2.73Å; Q224-T226 VanDerWaalsContact C-N 3.27Å; Q224-T226 PolarHBondContact O-N 3.3Å; T226-G228 PolarHBondContact O-N 3.37Å; T226-G228 VanDerWaalsContact O-N 3.17Å
227	Q	91.4	Very high	94.9	Very high	153 Å²	153	60.2 Å²	60.2	72%	0.715	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	28.7	-179.1	-54.7	177.2	-7.1	0	0	113.6	R206 A223 Q224	R206-Q227 PolarHBondContact NE-O 2.71Å; R206-Q227 VanDerWaalsContact NE-O 3.11Å; A223-Q227 PolarHBondContact O-N 2.85Å; Q224-Q227 PolarHBondContact O-N 3.17Å
228	G	92.5	Very high	94.8	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	28%	0.281	C	S	.	.			trans	-89.9	-168.2	173.8	0	0	0	0	0	113.6	C207 A223 T226	C207-G228 WeakPolarHBondContact O-CA 3.05Å; A223-G228 WeakPolarHBondContact O-CA 3.2Å; A223-G228 PolarHBondContact O-N 2.81Å; T226-G228 PolarHBondContact O-N 3.37Å; T226-G228 VanDerWaalsContact O-N 3.17Å
229	T	93.7	Very high	94.8	Very high	40 Å²	40	54.4 Å²	54.4	25%	0.245	27%	0.273	C	S	.	.			trans	-117.7	144.2	178.2	56.1	0	0	0	0	110.4	S208 V209	S208-T229 CarbonylContact C-O 3.49Å; S208-T229 VanDerWaalsContact CA-O 3.22Å; S208-T229 WeakPolarHBondContact CA-O 2.89Å; S208-T229 WeakPolarHBondContact CB-O 3.39Å; S208-T229 WeakPolarHBondContact CB-OG1 3.39Å; S208-T229 PolarHBondContact OG-N 3.45Å; S208-T229 VanDerWaalsContact OG-N 3.13Å; S208-T229 PolarHBondContact OG-OG1 2.68Å; S208-T229 VanDerWaalsContact OG-OG1 3.08Å; V209-T229 PolarHBondContact N-O 2.94Å
230	F	96.5	Very high	94.6	Very high	38 Å²	38	57.8 Å²	57.8	17%	0.167	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.3	176.3	-179.9	-97.4	0	0	0	109.5	V209 E215 R220 A223 V232	V209-F230 HydrophobicContact CB-CD2 4.05Å; V209-F230 HydrophobicContact CB-CE2 4.46Å; V209-F230 HydrophobicContact CG1-CD2 4.42Å; V209-F230 HydrophobicContact CG1-CE2 4.34Å; V209-F230 WeakPolarHBondContact O-CA 3.4Å; E215-F230 HydrophobicContact CB-CE1 4.18Å; E215-F230 HydrophobicContact CB-CZ 4.32Å; E215-F230 HydrophobicContact CG-CE1 3.69Å; E215-F230 HydrophobicContact CG-CZ 3.94Å; R220-F230 HydrophobicContact CB-CD2 4.45Å; R220-F230 HydrophobicContact CB-CG 4.41Å; A223-F230 HydrophobicContact CB-CB 3.86Å; F230-V232 HydrophobicContact CD1-CG2 4.5Å; F230-V232 HydrophobicContact CE1-CG2 3.49Å; F230-V232 VanDerWaalsContact CE1-CG2 3.49Å; F230-V232 HydrophobicContact CZ-CG2 3.87Å
231	H	96.5	Very high	94.4	Very high	52 Å²	52	56.5 Å²	56.5	24%	0.241	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.6	179.8	-66	-85.3	0	0	0	111	V209 S211 V242	V209-H231 PolarHBondContact O-N 3.3Å; S211-H231 PolarHBondContact N-O 2.91Å; H231-V242 HydrophobicContact CB-CG1 3.77Å; H231-V242 HydrophobicContact CB-CG2 4.15Å
232	V	96.6	Very high	94.3	Very high	41 Å²	41	56 Å²	56	25%	0.248	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.5	167.7	-175.5	0	0	0	0	107.8	S211 A213 E215 F230 H238	S211-V232 CarbonylContact O-C 3.49Å; S211-V232 WeakPolarHBondContact O-CA 3.28Å; A213-V232 WeakPolarHBondContact O-CG1 3Å; E215-V232 HydrophobicContact CB-CG2 4.19Å; F230-V232 HydrophobicContact CD1-CG2 4.5Å; F230-V232 HydrophobicContact CE1-CG2 3.49Å; F230-V232 VanDerWaalsContact CE1-CG2 3.49Å; F230-V232 HydrophobicContact CZ-CG2 3.87Å; V232-H238 PolarHBondContact O-CE1 3.34Å; V232-H238 PolarHBondContact O-ND1 2.86Å
233	I	96.3	Very high	94.2	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	28%	0.284	C	S	.	.			trans	-78.4	142.3	-178.1	-59.8	-48.4	0	0	0	110.3	I210 S211 L212 D235 L239 V242	I210-I233 HydrophobicContact CG2-CD1 3.49Å; I210-I233 VanDerWaalsContact CG2-CD1 3.49Å; I210-I233 HydrophobicContact CG2-CG1 3.48Å; I210-I233 VanDerWaalsContact CG2-CG1 3.48Å; S211-I233 PolarHBondContact O-N 3.25Å; L212-I233 HydrophobicContact CD2-CB 4.42Å; L212-I233 HydrophobicContact CD2-CG1 4.07Å; I233-D235 VanDerWaalsContact CG2-O 3.28Å; I233-D235 WeakPolarHBondContact CG2-O 3.44Å; I233-L239 HydrophobicContact CD1-CB 4.12Å; I233-L239 HydrophobicContact CD1-CD1 4.05Å; I233-L239 HydrophobicContact CG1-CB 4.23Å; I233-L239 HydrophobicContact CG1-CD1 4Å; I233-L239 HydrophobicContact CG2-CB 3.83Å; I233-V242 HydrophobicContact CD1-CB 4.33Å; I233-V242 HydrophobicContact CD1-CG2 4.12Å
234	M	92.7	Very high	93.9	Very high	152 Å²	152	60.4 Å²	60.4	75%	0.749	30%	0.302	S	S	*	.			trans	-108.8	-42.2	178.4	-59.2	-53.3	-54.7	0	0	111.1	H238	M234-H238 PolarHBondContact N-ND1 2.86Å
235	D	92.9	Very high	93.6	Very high	78 Å²	78	57.2 Å²	57.2	42%	0.417	29%	0.289	S	S	.	.	S	Bend	trans	-150.1	174.9	-179.9	65.1	-2.5	0	0	0	111.4	I233 L237 H238 L239	I233-D235 VanDerWaalsContact CG2-O 3.28Å; I233-D235 WeakPolarHBondContact CG2-O 3.44Å; D235-L237 PolarHBondContact O-N 3.11Å; D235-L237 PolarHBondContact OD1-N 3.32Å; D235-H238 PolarHBondContact O-N 3.39Å; D235-H238 WeakPolarHBondContact OD1-CA 3.39Å; D235-H238 WeakPolarHBondContact OD1-CB 3.35Å; D235-H238 PolarHBondContact OD1-N 3.29Å; D235-L239 PolarHBondContact O-N 3.23Å; D235-L239 VanDerWaalsContact O-N 3.11Å
236	E	93.1	Very high	93.5	Very high	62 Å²	62	53.6 Å²	53.6	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-58.4	-36.1	178.5	177.3	-178.9	169.4	0	0	112	K99 L239 K240	K99-E236 IonicContact NZ-OE1 2.65Å; E236-L239 PolarHBondContact O-N 2.84Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.49Å; E236-K240 VanDerWaalsContact OE1-CE 3.28Å; E236-K240 WeakPolarHBondContact OE1-CE 3.47Å; E236-K240 IonicContact OE1-NZ 2.71Å; E236-K240 PolarHBondContact OE1-NZ 2.94Å
237	L	92.1	Very high	93.4	Very high	107 Å²	107	53.6 Å²	53.6	56%	0.56	27%	0.27	S	S	*	.	H	α-helix	trans	-69.6	-42.1	-179.3	-175.6	63.9	0	0	0	111.3	D235 L239 K240 N241	D235-L237 PolarHBondContact O-N 3.11Å; D235-L237 PolarHBondContact OD1-N 3.32Å; L237-L239 VanDerWaalsContact C-N 3.35Å; L237-K240 PolarHBondContact O-N 3.12Å; L237-N241 WeakPolarHBondContact O-CB 3.36Å; L237-N241 VanDerWaalsContact O-CG 3.23Å; L237-N241 PolarHBondContact O-N 3.23Å; L237-N241 PolarHBondContact O-ND2 3.36Å
238	H	93	Very high	93.2	Very high	58 Å²	58	49.1 Å²	49.1	27%	0.269	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-42.6	175.8	-173.5	-157.2	0	0	0	110.9	V232 M234 D235 K240 N241 V242	V232-H238 PolarHBondContact O-CE1 3.34Å; V232-H238 PolarHBondContact O-ND1 2.86Å; M234-H238 PolarHBondContact N-ND1 2.86Å; D235-H238 PolarHBondContact O-N 3.39Å; D235-H238 WeakPolarHBondContact OD1-CA 3.39Å; D235-H238 WeakPolarHBondContact OD1-CB 3.35Å; D235-H238 PolarHBondContact OD1-N 3.29Å; H238-K240 PolarHBondContact O-N 3.12Å; H238-N241 PolarHBondContact O-N 2.9Å; H238-V242 WeakPolarHBondContact NE2-CG2 3.46Å; H238-V242 WeakPolarHBondContact O-CG2 3.28Å; H238-V242 PolarHBondContact O-N 3.48Å
239	L	95.4	Very high	93	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-48.2	174.6	175.6	59	0	0	0	112.2	A100 I210 L212 I233 D235 E236 L237 N241 V242 L243	A100-L239 HydrophobicContact CB-CD2 3.8Å; A100-L239 HydrophobicContact CB-CG 3.94Å; I210-L239 HydrophobicContact CG2-CD1 3.92Å; L212-L239 HydrophobicContact CD2-CD1 4.27Å; L212-L239 HydrophobicContact CD2-CD2 4.17Å; I233-L239 HydrophobicContact CD1-CB 4.12Å; I233-L239 HydrophobicContact CD1-CD1 4.05Å; I233-L239 HydrophobicContact CG1-CB 4.23Å; I233-L239 HydrophobicContact CG1-CD1 4Å; I233-L239 HydrophobicContact CG2-CB 3.83Å; D235-L239 PolarHBondContact O-N 3.23Å; D235-L239 VanDerWaalsContact O-N 3.11Å; E236-L239 PolarHBondContact O-N 2.84Å; L237-L239 VanDerWaalsContact C-N 3.35Å; L239-N241 VanDerWaalsContact C-N 3.32Å; L239-N241 PolarHBondContact O-N 3.41Å; L239-V242 PolarHBondContact O-N 3.19Å; L239-L243 HydrophobicContact CD1-CD1 3.98Å; L239-L243 HydrophobicContact CD1-CG 4.3Å; L239-L243 HydrophobicContact CG-CD1 4.2Å; L239-L243 PolarHBondContact O-N 3.39Å
240	K	93.7	Very high	92.6	Very high	72 Å²	72	47.6 Å²	47.6	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-42.5	176.9	-70.9	174.3	-173.4	164.9	0	111.8	A100 E236 L237 H238 L243 K244	A100-K240 HydrophobicContact CB-CG 4.39Å; E236-K240 WeakPolarHBondContact O-CG 3.39Å; E236-K240 PolarHBondContact O-N 3.49Å; E236-K240 VanDerWaalsContact OE1-CE 3.28Å; E236-K240 WeakPolarHBondContact OE1-CE 3.47Å; E236-K240 IonicContact OE1-NZ 2.71Å; E236-K240 PolarHBondContact OE1-NZ 2.94Å; L237-K240 PolarHBondContact O-N 3.12Å; H238-K240 PolarHBondContact O-N 3.12Å; K240-L243 PolarHBondContact O-N 3.21Å; K240-K244 WeakPolarHBondContact O-CB 3.35Å; K240-K244 PolarHBondContact O-N 2.85Å
241	N	91.5	Very high	91.9	Very high	62 Å²	62	50 Å²	50	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-64.8	-42.4	179.4	-73.3	-26.8	0	0	0	112.5	L237 H238 L239 K244 D245	L237-N241 WeakPolarHBondContact O-CB 3.36Å; L237-N241 VanDerWaalsContact O-CG 3.23Å; L237-N241 PolarHBondContact O-N 3.23Å; L237-N241 PolarHBondContact O-ND2 3.36Å; H238-N241 PolarHBondContact O-N 2.9Å; L239-N241 VanDerWaalsContact C-N 3.32Å; L239-N241 PolarHBondContact O-N 3.41Å; N241-K244 PolarHBondContact O-N 3.29Å; N241-D245 PolarHBondContact O-N 2.88Å
242	V	93.8	Very high	91.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-44.6	177.5	171.8	0	0	0	0	110.6	I210 H231 I233 H238 L239 K244 D245 L246	I210-V242 HydrophobicContact CD1-CG1 3.63Å; I210-V242 HydrophobicContact CG1-CG1 3.82Å; H231-V242 HydrophobicContact CB-CG1 3.77Å; H231-V242 HydrophobicContact CB-CG2 4.15Å; I233-V242 HydrophobicContact CD1-CB 4.33Å; I233-V242 HydrophobicContact CD1-CG2 4.12Å; H238-V242 WeakPolarHBondContact NE2-CG2 3.46Å; H238-V242 WeakPolarHBondContact O-CG2 3.28Å; H238-V242 PolarHBondContact O-N 3.48Å; L239-V242 PolarHBondContact O-N 3.19Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 PolarHBondContact O-N 2.73Å; V242-D245 WeakPolarHBondContact O-CB 3.48Å; V242-D245 PolarHBondContact O-N 3.16Å; V242-L246 PolarHBondContact O-N 2.69Å
243	L	95.1	Very high	90.1	Very high	4 Å²	4	49 Å²	49	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-42	175.4	-78.2	169.2	0	0	0	112	A100 F104 L181 I210 L239 K240 D245 L246	A100-L243 HydrophobicContact CB-CD1 3.64Å; F104-L243 HydrophobicContact CB-CB 4.24Å; F104-L243 HydrophobicContact CB-CD1 4.37Å; F104-L243 HydrophobicContact CB-CD2 4.31Å; F104-L243 HydrophobicContact CD2-CB 4.1Å; F104-L243 HydrophobicContact CD2-CD2 4.17Å; F104-L243 WeakPolarHBondContact CD2-O 3.22Å; F104-L243 WeakPolarHBondContact CE2-O 3.4Å; F104-L243 HydrophobicContact CG-CB 4.42Å; F104-L243 HydrophobicContact CG-CD2 4.07Å; L181-L243 HydrophobicContact CD2-CD2 4.23Å; I210-L243 HydrophobicContact CD1-CD2 3.76Å; I210-L243 HydrophobicContact CD1-CG 4.1Å; L239-L243 HydrophobicContact CD1-CD1 3.98Å; L239-L243 HydrophobicContact CD1-CG 4.3Å; L239-L243 HydrophobicContact CG-CD1 4.2Å; L239-L243 PolarHBondContact O-N 3.39Å; K240-L243 PolarHBondContact O-N 3.21Å; L243-D245 VanDerWaalsContact C-N 3.25Å; L243-D245 PolarHBondContact O-N 3.43Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 3.11Å; L243-L246 VanDerWaalsContact O-N 3.1Å
244	K	91.1	Very high	89.2	Confident	91 Å²	91	56.8 Å²	56.8	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-34.9	175.7	-171.5	175.7	-177.6	-179.8	0	112.1	K240 N241 V242 L246 V247 P248	K240-K244 WeakPolarHBondContact O-CB 3.35Å; K240-K244 PolarHBondContact O-N 2.85Å; N241-K244 PolarHBondContact O-N 3.29Å; V242-K244 VanDerWaalsContact C-N 3.34Å; V242-K244 PolarHBondContact O-N 2.73Å; K244-L246 PolarHBondContact O-N 3.26Å; K244-V247 WeakPolarHBondContact O-CB 3.22Å; K244-V247 PolarHBondContact O-N 2.86Å; K244-V247 VanDerWaalsContact O-N 3.15Å; K244-P248 WeakPolarHBondContact O-CD 3.31Å
245	D	89.7	Confident	88.3	Confident	66 Å²	66	56.3 Å²	56.3	35%	0.353	30%	0.3	S	S	.	.	H	α-helix	trans	-69	-19.7	177.4	-67.6	-17.7	0	0	0	113.5	K54 N241 V242 L243	K54-D245 WeakPolarHBondContact CE-OD1 3.3Å; K54-D245 WeakPolarHBondContact CE-OD2 3.47Å; K54-D245 IonicContact NZ-OD1 3.26Å; K54-D245 PolarHBondContact NZ-OD1 3.35Å; K54-D245 IonicContact NZ-OD2 3.93Å; K54-D245 PolarHBondContact NZ-OD2 2.88Å; N241-D245 PolarHBondContact O-N 2.88Å; V242-D245 WeakPolarHBondContact O-CB 3.48Å; V242-D245 PolarHBondContact O-N 3.16Å; L243-D245 VanDerWaalsContact C-N 3.25Å; L243-D245 PolarHBondContact O-N 3.43Å
246	L	91.9	Very high	87.5	Confident	16 Å²	16	55.7 Å²	55.7	8%	0.084	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.6	174.9	-61	174.4	0	0	0	113	R72 F104 V179 I210 V242 L243 K244	R72-L246 PolarHBondContact NH2-O 2.82Å; F104-L246 HydrophobicContact CE2-CB 4.16Å; V179-L246 HydrophobicContact CG1-CD1 3.86Å; V179-L246 HydrophobicContact CG2-CD1 4.05Å; I210-L246 HydrophobicContact CD1-CD1 3.89Å; V242-L246 PolarHBondContact O-N 2.69Å; L243-L246 WeakPolarHBondContact O-CB 3.38Å; L243-L246 PolarHBondContact O-N 3.11Å; L243-L246 VanDerWaalsContact O-N 3.1Å; K244-L246 PolarHBondContact O-N 3.26Å
247	V	91.7	Very high	86.6	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.036	32%	0.318	C	S	.	.	S	Bend	trans	-69.4	-44.5	-179.6	172.7	0	0	0	0	112.5	R72 F104 E107 Q111 N112 K244	R72-V247 PolarHBondContact NH1-O 2.87Å; F104-V247 HydrophobicContact CD2-CG2 3.73Å; F104-V247 HydrophobicContact CE2-CG2 3.79Å; E107-V247 HydrophobicContact CB-CG1 4.48Å; E107-V247 HydrophobicContact CB-CG2 4.12Å; Q111-V247 HydrophobicContact CB-CG1 3.87Å; Q111-V247 HydrophobicContact CG-CG1 3.95Å; N112-V247 PolarHBondContact ND2-O 2.95Å; K244-V247 WeakPolarHBondContact O-CB 3.22Å; K244-V247 PolarHBondContact O-N 2.86Å; K244-V247 VanDerWaalsContact O-N 3.15Å
248	P	87.7	Confident	86.1	Confident	60 Å²	60	58.8 Å²	58.8	39%	0.39	33%	0.326	S	S	.	.	S	Bend	trans	-62.8	147.1	176	-23	35	0	0	0	112.2	R72 K244	R72-P248 PolarHBondContact NH1-O 3.49Å; K244-P248 WeakPolarHBondContact O-CD 3.31Å
249	P	88.1	Confident	85.6	Confident	12 Å²	12	60.5 Å²	60.5	8%	0.078	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-64.4	136.4	175.9	28.1	-33.7	0	0	0	110.1	L68 G69 H337	L68-P249 HydrophobicContact CB-CB 4.45Å; L68-P249 HydrophobicContact CB-CG 4.34Å; L68-P249 HydrophobicContact CD1-CG 4.19Å; G69-P249 WeakPolarHBondContact O-CB 3.43Å; P249-H337 WeakPolarHBondContact CD-CE1 3.39Å; P249-H337 VanDerWaalsContact CD-ND1 3.31Å; P249-H337 WeakPolarHBondContact CD-ND1 3.28Å; P249-H337 WeakPolarHBondContact CD-NE2 3.32Å; P249-H337 HydrophobicContact CG-CB 3.99Å
250	P	85.5	Confident	85.1	Confident	15 Å²	15	68.9 Å²	68.9	10%	0.097	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-71.5	157	178.6	28.4	-33.4	0	0	0	112.4	G69 H175 E177 A252	G69-P250 PolarHBondContact N-O 2.81Å; H175-P250 WeakPolarHBondContact CE1-CG 3.28Å; E177-P250 WeakPolarHBondContact OE1-CD 3.27Å; E177-P250 WeakPolarHBondContact OE1-CG 3.33Å; P250-A252 PolarHBondContact O-N 2.91Å
251	V	82.3	Confident	84.8	Confident	89 Å²	89	67.8 Å²	67.8	54%	0.539	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-63.5	125.8	169.4	-178.5	0	0	0	0	108.9	V66 L68	V66-V251 HydrophobicContact CB-CG1 4.32Å; V66-V251 HydrophobicContact CG2-CG2 4.45Å; L68-V251 HydrophobicContact CD2-CG2 4.26Å
252	A	78.5	Confident	84.7	Confident	20 Å²	20	73.9 Å²	73.9	17%	0.165	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-72	139.8	177.9	0	0	0	0	0	110.2	R67 P250	R67-A252 HydrophobicContact CB-CB 4.3Å; R67-A252 PolarHBondContact O-N 2.86Å; P250-A252 PolarHBondContact O-N 2.91Å
253	A	77.2	Confident	84.5	Confident	51 Å²	51	76.6 Å²	76.6	42%	0.421	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-62.2	146.2	171.4	0	0	0	0	0	110	E255 T256	A253-E255 PolarHBondContact O-N 2.81Å; A253-E255 VanDerWaalsContact O-N 3.11Å; A253-T256 PolarHBondContact N-OG1 3.13Å; A253-T256 VanDerWaalsContact O-CB 3.3Å; A253-T256 WeakPolarHBondContact O-CB 3.39Å; A253-T256 PolarHBondContact O-N 2.85Å; A253-T256 PolarHBondContact O-OG1 2.71Å
254	I	75.3	Confident	84.4	Confident	170 Å²	170	76.5 Å²	76.5	87%	0.872	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.2	-177.8	-61.4	170.7	0	0	0	111.7	T256	I254-T256 VanDerWaalsContact C-N 3.25Å; I254-T256 PolarHBondContact O-N 3.08Å
255	E	74.4	Confident	84.4	Confident	141 Å²	141	76.9 Å²	76.9	66%	0.659	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.4	179.7	-59.8	-178.4	-172.8	0	0	114.6	R204 A253 E257	R204-E255 IonicContact NH2-OE2 3.38Å; R204-E255 PolarHBondContact NH2-OE2 2.87Å; A253-E255 PolarHBondContact O-N 2.81Å; A253-E255 VanDerWaalsContact O-N 3.11Å; E255-E257 PolarHBondContact O-N 2.85Å
256	T	75.6	Confident	84.3	Confident	65 Å²	65	74.4 Å²	74.4	40%	0.399	40%	0.399	S	S	.	.	S	Bend	trans	-74.7	119.1	-176.7	-43.2	0	0	0	0	109.4	A253 I254 A258	A253-T256 PolarHBondContact N-OG1 3.13Å; A253-T256 VanDerWaalsContact O-CB 3.3Å; A253-T256 WeakPolarHBondContact O-CB 3.39Å; A253-T256 PolarHBondContact O-N 2.85Å; A253-T256 PolarHBondContact O-OG1 2.71Å; I254-T256 VanDerWaalsContact C-N 3.25Å; I254-T256 PolarHBondContact O-N 3.08Å; T256-A258 PolarHBondContact O-N 2.79Å
257	E	74.9	Confident	83.6	Confident	148 Å²	148	81 Å²	81	69%	0.692	43%	0.429	S	S	*	.			trans	-65.1	130.4	178.6	-67.2	-177.1	171.9	0	0	111.3	E255 N259	E255-E257 PolarHBondContact O-N 2.85Å; E257-N259 PolarHBondContact O-N 3.11Å
258	A	81.5	Confident	82.4	Confident	86 Å²	86	84.7 Å²	84.7	71%	0.711	46%	0.455	S	S	*	.			trans	-86.9	85.5	175	0	0	0	0	0	109.4	T256	T256-A258 PolarHBondContact O-N 2.79Å
259	N	83.2	Confident	81.3	Confident	94 Å²	94	89 Å²	89	50%	0.503	47%	0.47	S	S	.	.			trans	-86.3	136.3	-178.6	-71.6	-35.5	0	0	0	112	E257 I261	E257-N259 PolarHBondContact O-N 3.11Å; N259-I261 PolarHBondContact O-N 3.44Å
260	L	85.4	Confident	80	Confident	176 Å²	176	89.2 Å²	89.2	92%	0.921	47%	0.471	S	S	*	.			trans	-80.6	114.4	174.9	-171.7	72.8	0	0	0	109.9
261	I	86.1	Confident	78.7	Confident	50 Å²	50	95.7 Å²	95.7	26%	0.256	50%	0.498	S	S	.	.			trans	-95.8	134.8	179.6	-63.4	156.7	0	0	0	109.3	M71 I173 N259 M263	M71-I261 HydrophobicContact CE-CD1 4.34Å; M71-I261 HydrophobicContact SD-CD1 3.45Å; M71-I261 WeakPolarHBondContact SD-CD1 3.36Å; I173-I261 HydrophobicContact CD1-CD1 4.28Å; I173-I261 HydrophobicContact CD1-CG1 4.08Å; N259-I261 PolarHBondContact O-N 3.44Å; I261-M263 PolarHBondContact O-N 3.01Å
262	R	89.9	Confident	77.8	Confident	189 Å²	189	94.5 Å²	94.5	71%	0.713	49%	0.489	S	S	*	.			trans	-73.5	122.6	173.4	-65.7	-175.7	179.8	-176.8	-0.7	109.1	L323	R262-L323 HydrophobicContact CB-CD1 3.89Å; R262-L323 VanDerWaalsContact O-CD1 3.23Å; R262-L323 WeakPolarHBondContact O-CD1 3.46Å
263	M	90	Very high	77.4	Confident	60 Å²	60	93.9 Å²	93.9	30%	0.296	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.1	174.3	-66.1	-174.4	174.3	0	0	110.7	M71 I261 F265 V326 L331	M71-M263 HydrophobicContact SD-CE 3.98Å; I261-M263 PolarHBondContact O-N 3.01Å; M263-F265 HydrophobicContact CB-CE2 4.32Å; M263-F265 HydrophobicContact CB-CZ 4.39Å; M263-V326 HydrophobicContact CB-CG2 4.19Å; M263-V326 HydrophobicContact SD-CG2 4.05Å; M263-L331 HydrophobicContact SD-CD1 4.4Å; M263-L331 HydrophobicContact SD-CD2 4.23Å
264	G	91.8	Very high	77.1	Confident	2 Å²	2	96.8 Å²	96.8	2%	0.021	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.6	173.3	0	0	0	0	0	110.9	P266 T324 L325 V326	G264-P266 WeakPolarHBondContact O-CD 3.45Å; G264-T324 PolarHBondContact N-O 3.37Å; G264-L325 WeakPolarHBondContact O-CA 3.49Å; G264-V326 PolarHBondContact O-N 3.12Å
265	F	91.8	Very high	76.8	Confident	98 Å²	98	98 Å²	98	43%	0.43	49%	0.485	S	S	.	.			trans	-106.1	91.5	174.5	-60.9	-81.3	0	0	0	109.1	M263 V326 L331	M263-F265 HydrophobicContact CB-CE2 4.32Å; M263-F265 HydrophobicContact CB-CZ 4.39Å; F265-V326 HydrophobicContact CD1-CG2 3.99Å; F265-V326 WeakPolarHBondContact CD1-O 3.39Å; F265-V326 HydrophobicContact CE1-CG2 3.59Å; F265-V326 HydrophobicContact CZ-CG2 4.14Å; F265-L331 HydrophobicContact CE1-CD1 3.69Å; F265-L331 HydrophobicContact CZ-CD1 3.76Å
266	P	87.5	Confident	76.6	Confident	14 Å²	14	97 Å²	97	9%	0.091	48%	0.479	C	S	.	.			trans	-67.5	134.6	176.1	30.4	-36.7	0	0	0	110.1	G264 Y302 A303 L314 V326	G264-P266 WeakPolarHBondContact O-CD 3.45Å; P266-Y302 HydrophobicContact CB-CD1 4.43Å; P266-Y302 HydrophobicContact CG-CD1 4.27Å; P266-Y302 HydrophobicContact CG-CG 4.5Å; P266-A303 VanDerWaalsContact CB-O 3.23Å; P266-A303 WeakPolarHBondContact CB-O 2.94Å; P266-L314 HydrophobicContact CG-CD1 3.43Å; P266-L314 VanDerWaalsContact CG-CD1 3.43Å; P266-L314 HydrophobicContact CG-CD2 3.78Å; P266-L314 HydrophobicContact CG-CG 4.22Å; P266-V326 WeakPolarHBondContact CD-O 3.22Å
267	H	77.6	Confident	76.3	Confident	154 Å²	154	99.3 Å²	99.3	71%	0.713	50%	0.504	S	S	*	.			trans	-76.8	143.1	171	-63.5	77.5	0	0	0	108.8	E269	H267-E269 VanDerWaalsContact C-N 3.31Å
268	S	66.9	Low	76.2	Confident	84 Å²	84	97.2 Å²	97.2	59%	0.587	50%	0.501	S	S	*	.	S	Bend	trans	-73.3	-27.6	178.1	-59.8	0	0	0	0	112	T270	S268-T270 PolarHBondContact O-N 2.91Å; S268-T270 VanDerWaalsContact O-N 3.12Å
269	E	64.5	Low	75.9	Confident	150 Å²	150	96.6 Å²	96.6	70%	0.701	48%	0.482	S	S	*	.	S	Bend	trans	-82.2	90.3	176.8	-66.5	-179.3	-170.5	0	0	109.5	H267 F271	H267-E269 VanDerWaalsContact C-N 3.31Å; E269-F271 HydrophobicContact CB-CD2 4.25Å; E269-F271 HydrophobicContact CB-CE2 4.27Å; E269-F271 PolarHBondContact O-N 3.24Å
270	T	59.9	Low	75.7	Confident	18 Å²	18	100.6 Å²	100.6	11%	0.11	49%	0.49	C	S	.	.			trans	-84.6	65.2	-178.2	47.6	0	0	0	0	111.6	S268 D272 L273 D274 H301 A303	S268-T270 PolarHBondContact O-N 2.91Å; S268-T270 VanDerWaalsContact O-N 3.12Å; T270-D272 PolarHBondContact O-N 3.02Å; T270-L273 HydrophobicContact CG2-CB 4.35Å; T270-L273 HydrophobicContact CG2-CD1 3.54Å; T270-L273 HydrophobicContact CG2-CG 3.71Å; T270-L273 PolarHBondContact O-N 3.32Å; T270-D274 PolarHBondContact O-N 2.88Å; T270-D274 VanDerWaalsContact O-N 3.12Å; T270-H301 WeakPolarHBondContact CG2-O 3.3Å; T270-A303 HydrophobicContact CG2-CB 4.08Å
271	F	58.8	Low	75.7	Confident	150 Å²	150	92.6 Å²	92.6	66%	0.658	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.2	161	-77.8	-81.1	0	0	0	111.5	E269	E269-F271 HydrophobicContact CB-CD2 4.25Å; E269-F271 HydrophobicContact CB-CE2 4.27Å; E269-F271 PolarHBondContact O-N 3.24Å
272	D	62.7	Low	75.7	Confident	65 Å²	65	92.4 Å²	92.4	35%	0.348	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-35.5	174.8	-74.9	-15.2	0	0	0	113.8	T270 F276 H308	T270-D272 PolarHBondContact O-N 3.02Å; D272-F276 WeakPolarHBondContact O-CD2 3.1Å; D272-F276 WeakPolarHBondContact O-CE2 3.49Å; D272-H308 IonicContact OD2-CE1 3.78Å; D272-H308 IonicContact OD2-ND1 3.56Å
273	L	70.2	Confident	75.1	Confident	6 Å²	6	84.7 Å²	84.7	3%	0.031	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-31.4	-179.8	-64.7	-179.8	0	0	0	111.7	T270 R275 F276 K279 P300 A303 A310	T270-L273 HydrophobicContact CG2-CB 4.35Å; T270-L273 HydrophobicContact CG2-CD1 3.54Å; T270-L273 HydrophobicContact CG2-CG 3.71Å; T270-L273 PolarHBondContact O-N 3.32Å; L273-R275 PolarHBondContact O-N 2.97Å; L273-R275 VanDerWaalsContact O-N 3.11Å; L273-F276 PolarHBondContact O-N 3.24Å; L273-K279 HydrophobicContact CB-CD 3.96Å; L273-K279 HydrophobicContact CB-CG 4.46Å; L273-K279 WeakPolarHBondContact O-CE 3.01Å; L273-P300 WeakPolarHBondContact CD1-O 3.35Å; L273-A303 HydrophobicContact CD2-CB 4.14Å; L273-A303 HydrophobicContact CG-CB 4.15Å; L273-A310 HydrophobicContact CD1-CB 4.13Å; L273-A310 HydrophobicContact CD2-CB 3.67Å
274	D	70.6	Confident	74.4	Confident	113 Å²	113	84.3 Å²	84.3	60%	0.604	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.3	179.3	-70.8	-19.8	0	0	0	113.5	T270 F276 K279	T270-D274 PolarHBondContact O-N 2.88Å; T270-D274 VanDerWaalsContact O-N 3.12Å; D274-F276 PolarHBondContact O-N 2.97Å; D274-K279 IonicContact OD1-NZ 2.65Å; D274-K279 PolarHBondContact OD1-NZ 3.23Å
275	R	70	Confident	73.6	Confident	196 Å²	196	88.5 Å²	88.5	74%	0.74	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	172.4	-60.4	-179.2	-174.1	-173.2	2.3	113.2	L273	L273-R275 PolarHBondContact O-N 2.97Å; L273-R275 VanDerWaalsContact O-N 3.11Å
276	F	69.4	Low	72.2	Confident	120 Å²	120	88.8 Å²	88.8	53%	0.526	46%	0.455	S	S	.	.			trans	-106.6	122	-176.8	-58.2	-77.6	0	0	0	111	D272 L273 D274 V278	D272-F276 WeakPolarHBondContact O-CD2 3.1Å; D272-F276 WeakPolarHBondContact O-CE2 3.49Å; L273-F276 PolarHBondContact O-N 3.24Å; D274-F276 PolarHBondContact O-N 2.97Å; F276-V278 PolarHBondContact O-N 3.12Å
277	A	69.5	Low	70.6	Confident	112 Å²	112	94.5 Å²	94.5	93%	0.926	49%	0.485	S	S	*	.	S	Bend	trans	-62.7	-25.8	178.9	0	0	0	0	0	113.4
278	V	72.7	Confident	69.2	Low	105 Å²	105	94.5 Å²	94.5	64%	0.636	48%	0.483	S	S	*	.	S	Bend	trans	-127.7	112.4	177.8	-177.5	0	0	0	0	109.1	F276 R280	F276-V278 PolarHBondContact O-N 3.12Å; V278-R280 HydrophobicContact CG1-CG 4.14Å
279	K	75	Confident	68.2	Low	72 Å²	72	95 Å²	95	31%	0.313	48%	0.484	S	S	.	.			trans	-97.6	114.7	176.3	-55.5	177.4	-174.4	-173.6	0	108.7	L273 D274 P300	L273-K279 HydrophobicContact CB-CD 3.96Å; L273-K279 HydrophobicContact CB-CG 4.46Å; L273-K279 WeakPolarHBondContact O-CE 3.01Å; D274-K279 IonicContact OD1-NZ 2.65Å; D274-K279 PolarHBondContact OD1-NZ 3.23Å; K279-P300 HydrophobicContact CB-CG 3.66Å
280	R	80.2	Confident	67.3	Low	178 Å²	178	94.3 Å²	94.3	67%	0.672	49%	0.491	S	S	*	.			trans	-108.7	126	174.2	-67.3	-174.7	-176	166.4	2.1	109.7	V278 L285	V278-R280 HydrophobicContact CG1-CG 4.14Å; R280-L285 HydrophobicContact CB-CD1 4.17Å
281	C	85	Confident	66.6	Low	8 Å²	8	100.5 Å²	100.5	5%	0.054	52%	0.523	C	S	.	.			trans	-71.1	129.2	174.6	-175.5	0	0	0	0	110.4	C283 H284 L285 P300 A310 C312	C281-C283 VanDerWaalsContact C-N 3.3Å; C281-C283 PolarHBondContact O-N 2.94Å; C281-C283 PolarHBondContact SG-N 2.78Å; C281-H284 PolarHBondContact O-N 3.33Å; C281-L285 PolarHBondContact O-N 2.79Å; C281-P300 HydrophobicContact CB-CB 4.17Å; C281-A310 WeakPolarHBondContact CA-O 3.34Å; C281-C312 PolarHBondContact SG-N 3.42Å; C281-C312 PolarHBondContact SG-SG 3.32Å
282	M	85.4	Confident	66	Low	47 Å²	47	98.5 Å²	98.5	23%	0.232	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-21	178.7	-165.9	58.1	66.7	0	0	112.9	H284 L285 A310 Y311 N319 V320	M282-H284 VanDerWaalsContact C-N 3.31Å; M282-H284 PolarHBondContact O-N 2.85Å; M282-L285 HydrophobicContact CE-CD2 4.17Å; M282-L285 HydrophobicContact SD-CB 4.33Å; M282-L285 HydrophobicContact SD-CD2 3.79Å; M282-A310 PolarHBondContact N-O 3.43Å; M282-Y311 HydrophobicContact CB-CD1 4.46Å; M282-Y311 HydrophobicContact CB-CE1 3.86Å; M282-Y311 HydrophobicContact CG-CE1 4.35Å; M282-N319 HydrophobicContact CG-CB 3.84Å; M282-N319 PolarHBondContact O-ND2 3.15Å; M282-V320 HydrophobicContact CE-CG2 3.91Å; M282-V320 HydrophobicContact CG-CG2 4.4Å; M282-V320 HydrophobicContact SD-CG2 4.48Å
283	C	76.8	Confident	65.1	Low	27 Å²	27	104.4 Å²	104.4	18%	0.182	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-38.1	173.1	-57	0	0	0	0	112.2	C281 Y311	C281-C283 VanDerWaalsContact C-N 3.3Å; C281-C283 PolarHBondContact O-N 2.94Å; C281-C283 PolarHBondContact SG-N 2.78Å; C283-Y311 VanDerWaalsContact SG-CD1 3.53Å
284	H	76.9	Confident	64.1	Low	52 Å²	52	109.1 Å²	109.1	24%	0.241	57%	0.571	C	S	.	*	T	Hydrogen-bonded Turn	trans	-107.2	0.4	-169.8	-51.8	137.2	0	0	0	113	C281 M282 S286 T298 C312	C281-H284 PolarHBondContact O-N 3.33Å; M282-H284 VanDerWaalsContact C-N 3.31Å; M282-H284 PolarHBondContact O-N 2.85Å; H284-S286 VanDerWaalsContact C-N 3.29Å; H284-S286 PolarHBondContact O-N 2.94Å; H284-T298 PolarHBondContact CE1-OG1 2.86Å; H284-T298 PolarHBondContact ND1-OG1 2.91Å; H284-C312 PolarHBondContact CE1-SG 3.25Å
285	L	74.7	Confident	63	Low	90 Å²	90	107.8 Å²	107.8	47%	0.471	56%	0.564	S	S	.	*	S	Bend	trans	-64.3	-36.9	179.2	-160.1	75.8	0	0	0	111.5	R280 C281 M282	R280-L285 HydrophobicContact CB-CD1 4.17Å; C281-L285 PolarHBondContact O-N 2.79Å; M282-L285 HydrophobicContact CE-CD2 4.17Å; M282-L285 HydrophobicContact SD-CB 4.33Å; M282-L285 HydrophobicContact SD-CD2 3.79Å
286	S	62	Low	62	Low	103 Å²	103	103.6 Å²	103.6	72%	0.72	56%	0.56	S	S	*	*	S	Bend	trans	-92.7	-16.6	-175.7	-52.9	0	0	0	0	114.4	H284	H284-S286 VanDerWaalsContact C-N 3.29Å; H284-S286 PolarHBondContact O-N 2.94Å
287	N	54.5	Low	61.2	Low	135 Å²	135	103 Å²	103	72%	0.722	57%	0.567	S	S	*	*			trans	-99.6	29.3	-171.2	-100.9	7.9	0	0	0	114	P289	N287-P289 WeakPolarHBondContact O-CD 3.34Å
288	K	48.1	Very low	60.9	Low	153 Å²	153	99.9 Å²	99.9	67%	0.665	54%	0.536	S	S	*	.			trans	-89.4	100.9	171.6	-81.6	-172.6	173.6	-175.1	0	111.3
289	P	45.4	Very low	61.1	Low	94 Å²	94	99.6 Å²	99.6	61%	0.61	53%	0.531	S	S	*	.			trans	-65.5	130.9	140.3	30.8	-28.2	0	0	0	106.4	N287 N291	N287-P289 WeakPolarHBondContact O-CD 3.34Å; P289-N291 PolarHBondContact O-N 3.41Å
290	T	46.2	Very low	61.3	Low	137 Å²	137	96.2 Å²	96.2	84%	0.84	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	7.2	-169.7	41.6	0	0	0	0	116.8
291	N	44.8	Very low	61.4	Low	148 Å²	148	92.6 Å²	92.6	79%	0.791	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-4.1	-169	-78.8	-23.5	0	0	0	116.6	P289 K293	P289-N291 PolarHBondContact O-N 3.41Å; N291-K293 PolarHBondContact O-N 2.85Å
292	D	45.2	Very low	61.6	Low	108 Å²	108	95 Å²	95	58%	0.578	52%	0.515	S	S	*	.			trans	-96.4	98.6	179.4	-132.1	-28	0	0	0	112	T294	D292-T294 PolarHBondContact O-N 3.08Å; D292-T294 PolarHBondContact OD1-OG1 3.38Å
293	K	43.9	Very low	61.7	Low	188 Å²	188	93.3 Å²	93.3	82%	0.817	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	4.6	177.2	-69.7	-178.6	179.7	175	0	113.2	N291	N291-K293 PolarHBondContact O-N 2.85Å
294	T	49.5	Very low	62.4	Low	105 Å²	105	92 Å²	92	64%	0.644	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-10.7	-168	58.9	0	0	0	0	114.1	D292	D292-T294 PolarHBondContact O-N 3.08Å; D292-T294 PolarHBondContact OD1-OG1 3.38Å
295	D	48.4	Very low	63	Low	86 Å²	86	92.6 Å²	92.6	46%	0.46	51%	0.508	S	S	.	.			trans	-115.8	30.6	-176.1	-144.2	0.6	0	0	0	113.9	T297	D295-T297 PolarHBondContact O-N 2.67Å
296	T	47.9	Very low	63.8	Low	107 Å²	107	94.1 Å²	94.1	66%	0.656	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	7.3	173.3	46.2	0	0	0	0	113.9
297	T	53	Low	65.1	Low	109 Å²	109	91.2 Å²	91.2	67%	0.669	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	1.6	-171.6	49	0	0	0	0	114.7	D295 N299	D295-T297 PolarHBondContact O-N 2.67Å; T297-N299 VanDerWaalsContact C-N 3.27Å; T297-N299 PolarHBondContact O-N 2.81Å
298	T	63.7	Low	66.7	Low	45 Å²	45	89.5 Å²	89.5	28%	0.276	47%	0.474	S	S	.	.			trans	-82.9	76.8	178.7	49.9	0	0	0	0	110.7	H284 P300	H284-T298 PolarHBondContact CE1-OG1 2.86Å; H284-T298 PolarHBondContact ND1-OG1 2.91Å; T298-P300 WeakPolarHBondContact O-CD 3.38Å
299	N	75.6	Confident	68.6	Low	99 Å²	99	82.8 Å²	82.8	53%	0.529	45%	0.447	S	S	.	.			trans	-57.9	123.3	167.9	-78.6	-23.3	0	0	0	108.4	T297 H301	T297-N299 VanDerWaalsContact C-N 3.27Å; T297-N299 PolarHBondContact O-N 2.81Å; N299-H301 PolarHBondContact O-CE1 2.96Å; N299-H301 PolarHBondContact O-N 3.46Å; N299-H301 PolarHBondContact O-ND1 3Å; N299-H301 VanDerWaalsContact O-ND1 3.11Å; N299-H301 PolarHBondContact O-NE2 2.98Å
300	P	80.3	Confident	70.7	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.013	42%	0.422	C	S	.	.			trans	-71.6	132.8	175.4	30.9	-34.2	0	0	0	109.1	L273 K279 C281 T298 A310 Y311	L273-P300 WeakPolarHBondContact CD1-O 3.35Å; K279-P300 HydrophobicContact CB-CG 3.66Å; C281-P300 HydrophobicContact CB-CB 4.17Å; T298-P300 WeakPolarHBondContact O-CD 3.38Å; P300-A310 HydrophobicContact CB-CB 3.5Å; P300-A310 HydrophobicContact CG-CB 3.54Å; P300-Y311 CarbonylContact C-O 3.49Å; P300-Y311 WeakPolarHBondContact CA-O 3.29Å; P300-Y311 WeakPolarHBondContact CB-O 3.15Å
301	H	82.7	Confident	72.7	Confident	102 Å²	102	72.3 Å²	72.3	47%	0.472	38%	0.382	S	S	.	.			trans	-110.4	-11.6	-178.5	-52.3	106.9	0	0	0	112.3	T270 N299 Y311	T270-H301 WeakPolarHBondContact CG2-O 3.3Å; N299-H301 PolarHBondContact O-CE1 2.96Å; N299-H301 PolarHBondContact O-N 3.46Å; N299-H301 PolarHBondContact O-ND1 3Å; N299-H301 VanDerWaalsContact O-ND1 3.11Å; N299-H301 PolarHBondContact O-NE2 2.98Å; H301-Y311 PolarHBondContact N-O 2.85Å
302	Y	88.1	Confident	74.7	Confident	59 Å²	59	66.3 Å²	66.3	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.3	-175.9	-55.6	-69.4	0	0	0	110	P266 A310 Y311 L314	P266-Y302 HydrophobicContact CB-CD1 4.43Å; P266-Y302 HydrophobicContact CG-CD1 4.27Å; P266-Y302 HydrophobicContact CG-CG 4.5Å; Y302-A310 CarbonylContact O-C 3.58Å; Y302-A310 WeakPolarHBondContact O-CA 3.49Å; Y302-Y311 PolarHBondContact N-O 2.84Å; Y302-Y311 PolarHBondContact O-N 3.26Å; Y302-L314 HydrophobicContact CD1-CD1 3.53Å; Y302-L314 HydrophobicContact CD1-CG 4.22Å; Y302-L314 HydrophobicContact CD2-CD1 4.02Å; Y302-L314 HydrophobicContact CD2-CG 3.79Å; Y302-L314 HydrophobicContact CE1-CD1 3.65Å; Y302-L314 HydrophobicContact CE1-CG 4.43Å; Y302-L314 HydrophobicContact CE2-CD1 4.14Å; Y302-L314 HydrophobicContact CE2-CG 4.04Å; Y302-L314 HydrophobicContact CG-CD1 3.71Å; Y302-L314 HydrophobicContact CG-CD2 4.42Å; Y302-L314 HydrophobicContact CG-CG 3.88Å
303	A	89	Confident	76.6	Confident	10 Å²	10	63.3 Å²	63.3	8%	0.083	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.6	173.7	0	0	0	0	0	110	P266 T270 L273	P266-A303 VanDerWaalsContact CB-O 3.23Å; P266-A303 WeakPolarHBondContact CB-O 2.94Å; T270-A303 HydrophobicContact CG2-CB 4.08Å; L273-A303 HydrophobicContact CD2-CB 4.14Å; L273-A303 HydrophobicContact CG-CB 4.15Å
304	C	90.4	Very high	78.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.			trans	-58.4	125.1	172.9	174.7	0	0	0	0	109.7	R306 C307 H308 S309 Y311 C318 L325	C304-R306 PolarHBondContact O-N 2.97Å; C304-C307 PolarHBondContact SG-SG 2.8Å; C304-H308 WeakPolarHBondContact O-CA 3.25Å; C304-H308 PolarHBondContact O-N 2.86Å; C304-S309 PolarHBondContact N-O 3.41Å; C304-Y311 HydrophobicContact CB-CE2 4.24Å; C304-C318 VanDerWaalsContact SG-SG 3.66Å; C304-L325 HydrophobicContact CB-CD1 4.02Å; C304-L325 HydrophobicContact CB-CD2 4.22Å
305	P	89.9	Confident	80.6	Confident	65 Å²	65	51.5 Å²	51.5	42%	0.422	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.3	-176.3	27.5	-35.3	0	0	0	114.1	L323	P305-L323 HydrophobicContact CG-CD2 4.07Å
306	R	90.7	Very high	82.5	Confident	121 Å²	121	48.8 Å²	48.8	46%	0.457	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-47.9	179.4	-177.8	179.9	-68.2	173.9	3.8	113.4	C304 L323	C304-R306 PolarHBondContact O-N 2.97Å; R306-L323 HydrophobicContact CB-CD2 4.1Å
307	C	90.4	Very high	84.4	Confident	42 Å²	42	48.1 Å²	48.1	28%	0.284	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	0.2	-174	63.9	0	0	0	0	113.4	C304 S309 C318 V320 C321	C304-C307 PolarHBondContact SG-SG 2.8Å; C307-S309 PolarHBondContact O-N 3.04Å; C307-S309 PolarHBondContact SG-OG 3.45Å; C307-C318 PolarHBondContact SG-SG 3.3Å; C307-V320 HydrophobicContact CB-CG1 4.04Å; C307-C321 HydrophobicContact CB-CB 4.18Å
308	H	87.5	Confident	86.2	Confident	99 Å²	99	43 Å²	43	46%	0.458	22%	0.221	S	C	.	.			trans	57.2	16.2	-178.8	-54	-83.4	0	0	0	115.2	D272 C304	D272-H308 IonicContact OD2-CE1 3.78Å; D272-H308 IonicContact OD2-ND1 3.56Å; C304-H308 WeakPolarHBondContact O-CA 3.25Å; C304-H308 PolarHBondContact O-N 2.86Å
309	S	88.2	Confident	87.4	Confident	13 Å²	13	45.9 Å²	45.9	9%	0.091	24%	0.235	C	C	.	.			trans	-66.1	144.1	171.1	56.4	0	0	0	0	111	C304 C307 Y311 C318	C304-S309 PolarHBondContact N-O 3.41Å; C307-S309 PolarHBondContact O-N 3.04Å; C307-S309 PolarHBondContact SG-OG 3.45Å; S309-Y311 WeakPolarHBondContact O-CD2 3.46Å; S309-Y311 WeakPolarHBondContact O-CE2 3.36Å; S309-Y311 VanDerWaalsContact OG-CE2 3.23Å; S309-Y311 WeakPolarHBondContact OG-CE2 3.33Å; S309-Y311 PolarHBondContact OG-OH 3.08Å; S309-C318 PolarHBondContact OG-SG 2.94Å
310	A	88.9	Confident	88.2	Confident	10 Å²	10	45.3 Å²	45.3	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.5	-167.4	0	0	0	0	0	111.4	L273 C281 M282 P300 Y302	L273-A310 HydrophobicContact CD1-CB 4.13Å; L273-A310 HydrophobicContact CD2-CB 3.67Å; C281-A310 WeakPolarHBondContact CA-O 3.34Å; M282-A310 PolarHBondContact N-O 3.43Å; P300-A310 HydrophobicContact CB-CB 3.5Å; P300-A310 HydrophobicContact CG-CB 3.54Å; Y302-A310 CarbonylContact O-C 3.58Å; Y302-A310 WeakPolarHBondContact O-CA 3.49Å
311	Y	88.4	Confident	88.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.8	-179.1	-63.2	-93.1	0	0	0	110.2	M282 C283 P300 H301 Y302 C304 S309 V316 C318 N319 L325	M282-Y311 HydrophobicContact CB-CD1 4.46Å; M282-Y311 HydrophobicContact CB-CE1 3.86Å; M282-Y311 HydrophobicContact CG-CE1 4.35Å; C283-Y311 VanDerWaalsContact SG-CD1 3.53Å; P300-Y311 CarbonylContact C-O 3.49Å; P300-Y311 WeakPolarHBondContact CA-O 3.29Å; P300-Y311 WeakPolarHBondContact CB-O 3.15Å; H301-Y311 PolarHBondContact N-O 2.85Å; Y302-Y311 PolarHBondContact N-O 2.84Å; Y302-Y311 PolarHBondContact O-N 3.26Å; C304-Y311 HydrophobicContact CB-CE2 4.24Å; S309-Y311 WeakPolarHBondContact O-CD2 3.46Å; S309-Y311 WeakPolarHBondContact O-CE2 3.36Å; S309-Y311 VanDerWaalsContact OG-CE2 3.23Å; S309-Y311 WeakPolarHBondContact OG-CE2 3.33Å; S309-Y311 PolarHBondContact OG-OH 3.08Å; Y311-V316 HydrophobicContact CD1-CB 4.45Å; Y311-V316 HydrophobicContact CD1-CG1 3.88Å; Y311-V316 HydrophobicContact CE1-CG1 4Å; Y311-C318 HydrophobicContact CE2-CB 4.3Å; Y311-C318 VanDerWaalsContact OH-CA 3.25Å; Y311-C318 WeakPolarHBondContact OH-CA 3.27Å; Y311-C318 PolarHBondContact OH-SG 2.9Å; Y311-N319 PolarHBondContact OH-N 2.81Å; Y311-L325 HydrophobicContact CD2-CD1 3.48Å; Y311-L325 VanDerWaalsContact CD2-CD1 3.48Å; Y311-L325 HydrophobicContact CE2-CD1 3.64Å; Y311-L325 HydrophobicContact CG-CD1 4.12Å
312	C	86.2	Confident	89.1	Confident	22 Å²	22	44 Å²	44	15%	0.149	24%	0.243	C	C	.	.	S	Bend	trans	-89.5	-21.4	177.5	59.3	0	0	0	0	113.1	C281 H284	C281-C312 PolarHBondContact SG-N 3.42Å; C281-C312 PolarHBondContact SG-SG 3.32Å; H284-C312 PolarHBondContact CE1-SG 3.25Å
313	E	86.4	Confident	89.2	Confident	45 Å²	45	41.8 Å²	41.8	21%	0.21	24%	0.235	C	C	.	.	S	Bend	trans	-140.1	160	-173.4	65.9	-175.5	-170.5	0	0	112	N136 V316	N136-E313 PolarHBondContact ND2-OE1 3.32Å; N136-E313 PolarHBondContact ND2-OE2 3.07Å; E313-V316 HydrophobicContact CG-CG2 3.89Å; E313-V316 WeakPolarHBondContact O-CG2 3.3Å
314	L	87.9	Confident	89.3	Confident	24 Å²	24	42.4 Å²	42.4	13%	0.126	24%	0.238	C	C	.	.	S	Bend	trans	-137.1	152.4	174.6	-63.6	172.2	0	0	0	107.6	P266 Y302 L325 A327 H330	P266-L314 HydrophobicContact CG-CD1 3.43Å; P266-L314 VanDerWaalsContact CG-CD1 3.43Å; P266-L314 HydrophobicContact CG-CD2 3.78Å; P266-L314 HydrophobicContact CG-CG 4.22Å; Y302-L314 HydrophobicContact CD1-CD1 3.53Å; Y302-L314 HydrophobicContact CD1-CG 4.22Å; Y302-L314 HydrophobicContact CD2-CD1 4.02Å; Y302-L314 HydrophobicContact CD2-CG 3.79Å; Y302-L314 HydrophobicContact CE1-CD1 3.65Å; Y302-L314 HydrophobicContact CE1-CG 4.43Å; Y302-L314 HydrophobicContact CE2-CD1 4.14Å; Y302-L314 HydrophobicContact CE2-CG 4.04Å; Y302-L314 HydrophobicContact CG-CD1 3.71Å; Y302-L314 HydrophobicContact CG-CD2 4.42Å; Y302-L314 HydrophobicContact CG-CG 3.88Å; L314-L325 HydrophobicContact CD2-CB 3.52Å; L314-A327 HydrophobicContact CD1-CB 4.22Å; L314-H330 VanDerWaalsContact C-CE1 3.47Å; L314-H330 PolarHBondContact O-CE1 2.66Å; L314-H330 VanDerWaalsContact O-CE1 3.29Å
315	P	88.8	Confident	89.4	Confident	22 Å²	22	42.4 Å²	42.4	14%	0.143	24%	0.238	C	C	.	.	S	Bend	cis	-85	142.4	-1.8	30.7	-25.8	0	0	0	112.6	P113 L325 V326	P113-P315 WeakPolarHBondContact O-CG 3.43Å; P315-L325 WeakPolarHBondContact CA-O 3.39Å; P315-L325 WeakPolarHBondContact CB-O 3.29Å; P315-V326 HydrophobicContact CB-CG1 3.89Å
316	V	88.1	Confident	89.5	Confident	29 Å²	29	39.3 Å²	39.3	18%	0.176	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145.7	-176.3	175.8	0	0	0	0	109.6	Y311 E313 L325	Y311-V316 HydrophobicContact CD1-CB 4.45Å; Y311-V316 HydrophobicContact CD1-CG1 3.88Å; Y311-V316 HydrophobicContact CE1-CG1 4Å; E313-V316 HydrophobicContact CG-CG2 3.89Å; E313-V316 WeakPolarHBondContact O-CG2 3.3Å; V316-L325 PolarHBondContact N-O 2.8Å; V316-L325 VanDerWaalsContact N-O 3.08Å; V316-L325 WeakPolarHBondContact O-CA 3.38Å; V316-L325 WeakPolarHBondContact O-CB 3.4Å; V316-L325 PolarHBondContact O-N 3.37Å
317	E	88.8	Confident	89.4	Confident	92 Å²	92	34.7 Å²	34.7	43%	0.43	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.3	167.7	-169.5	-178.7	162.8	0	0	110.4	N319	E317-N319 PolarHBondContact O-N 2.6Å; E317-N319 VanDerWaalsContact O-N 3.09Å; E317-N319 PolarHBondContact O-OD1 2.74Å
318	C	90.9	Very high	89.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.007	22%	0.219	C	C	.	.			trans	-68.8	109.9	-178.1	177.6	0	0	0	0	111.7	C304 C307 S309 Y311 V320 C321 G322 L323 L325	C304-C318 VanDerWaalsContact SG-SG 3.66Å; C307-C318 PolarHBondContact SG-SG 3.3Å; S309-C318 PolarHBondContact OG-SG 2.94Å; Y311-C318 HydrophobicContact CE2-CB 4.3Å; Y311-C318 VanDerWaalsContact OH-CA 3.25Å; Y311-C318 WeakPolarHBondContact OH-CA 3.27Å; Y311-C318 PolarHBondContact OH-SG 2.9Å; C318-V320 PolarHBondContact O-N 3.02Å; C318-C321 PolarHBondContact O-N 3.37Å; C318-C321 PolarHBondContact SG-SG 3.17Å; C318-G322 WeakPolarHBondContact O-CA 3.36Å; C318-G322 PolarHBondContact O-N 3.27Å; C318-L323 HydrophobicContact CB-CB 4.42Å; C318-L323 VanDerWaalsContact CB-O 3.22Å; C318-L323 WeakPolarHBondContact CB-O 3.34Å; C318-L323 PolarHBondContact N-O 3.17Å; C318-L325 HydrophobicContact CB-CD1 4.18Å; C318-L325 HydrophobicContact CB-CG 4.23Å
319	N	88.8	Confident	89.5	Confident	106 Å²	106	35.2 Å²	35.2	57%	0.567	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.1	179.5	-66.4	-15.1	0	0	0	114.8	M282 Y311 E317	M282-N319 HydrophobicContact CG-CB 3.84Å; M282-N319 PolarHBondContact O-ND2 3.15Å; Y311-N319 PolarHBondContact OH-N 2.81Å; E317-N319 PolarHBondContact O-N 2.6Å; E317-N319 VanDerWaalsContact O-N 3.09Å; E317-N319 PolarHBondContact O-OD1 2.74Å
320	V	91.5	Very high	89.5	Confident	87 Å²	87	35.9 Å²	35.9	53%	0.527	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-39.1	-178.8	-179.6	0	0	0	0	112.4	M282 C307 C318	M282-V320 HydrophobicContact CE-CG2 3.91Å; M282-V320 HydrophobicContact CG-CG2 4.4Å; M282-V320 HydrophobicContact SD-CG2 4.48Å; C307-V320 HydrophobicContact CB-CG1 4.04Å; C318-V320 PolarHBondContact O-N 3.02Å
321	C	92.2	Very high	89.3	Confident	38 Å²	38	37.1 Å²	37.1	26%	0.257	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	0.3	-171.5	73.8	0	0	0	0	115.4	C307 C318 L323	C307-C321 HydrophobicContact CB-CB 4.18Å; C318-C321 PolarHBondContact O-N 3.37Å; C318-C321 PolarHBondContact SG-SG 3.17Å; C321-L323 PolarHBondContact O-N 3.39Å; C321-L323 VanDerWaalsContact SG-CB 3.53Å
322	G	89.2	Confident	89.3	Confident	40 Å²	40	39.6 Å²	39.6	41%	0.412	25%	0.25	S	S	.	.			trans	68.6	9.1	-178.8	0	0	0	0	0	114.9	C318	C318-G322 WeakPolarHBondContact O-CA 3.36Å; C318-G322 PolarHBondContact O-N 3.27Å
323	L	92	Very high	89.2	Confident	11 Å²	11	43.3 Å²	43.3	6%	0.058	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-77.3	125.9	179.5	-172.6	67.8	0	0	0	110.4	R262 P305 R306 C318 C321 L325	R262-L323 HydrophobicContact CB-CD1 3.89Å; R262-L323 VanDerWaalsContact O-CD1 3.23Å; R262-L323 WeakPolarHBondContact O-CD1 3.46Å; P305-L323 HydrophobicContact CG-CD2 4.07Å; R306-L323 HydrophobicContact CB-CD2 4.1Å; C318-L323 HydrophobicContact CB-CB 4.42Å; C318-L323 VanDerWaalsContact CB-O 3.22Å; C318-L323 WeakPolarHBondContact CB-O 3.34Å; C318-L323 PolarHBondContact N-O 3.17Å; C321-L323 PolarHBondContact O-N 3.39Å; C321-L323 VanDerWaalsContact SG-CB 3.53Å; L323-L325 HydrophobicContact CD2-CD2 4.23Å; L323-L325 HydrophobicContact CG-CD2 4.37Å; L323-L325 PolarHBondContact O-N 3.27Å
324	T	90.8	Very high	89.1	Confident	23 Å²	23	41.3 Å²	41.3	14%	0.141	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117	173.2	-44.1	0	0	0	0	110.1	G264 V326	G264-T324 PolarHBondContact N-O 3.37Å; T324-V326 HydrophobicContact CG2-CG1 4.09Å
325	L	91.3	Very high	89	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.4	179.5	-53.9	-179.1	0	0	0	109.7	G264 C304 Y311 L314 P315 V316 C318 L323	G264-L325 WeakPolarHBondContact O-CA 3.49Å; C304-L325 HydrophobicContact CB-CD1 4.02Å; C304-L325 HydrophobicContact CB-CD2 4.22Å; Y311-L325 HydrophobicContact CD2-CD1 3.48Å; Y311-L325 VanDerWaalsContact CD2-CD1 3.48Å; Y311-L325 HydrophobicContact CE2-CD1 3.64Å; Y311-L325 HydrophobicContact CG-CD1 4.12Å; L314-L325 HydrophobicContact CD2-CB 3.52Å; P315-L325 WeakPolarHBondContact CA-O 3.39Å; P315-L325 WeakPolarHBondContact CB-O 3.29Å; V316-L325 PolarHBondContact N-O 2.8Å; V316-L325 VanDerWaalsContact N-O 3.08Å; V316-L325 WeakPolarHBondContact O-CA 3.38Å; V316-L325 WeakPolarHBondContact O-CB 3.4Å; V316-L325 PolarHBondContact O-N 3.37Å; C318-L325 HydrophobicContact CB-CD1 4.18Å; C318-L325 HydrophobicContact CB-CG 4.23Å; L323-L325 HydrophobicContact CD2-CD2 4.23Å; L323-L325 HydrophobicContact CG-CD2 4.37Å; L323-L325 PolarHBondContact O-N 3.27Å
326	V	91.7	Very high	88.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.			trans	-138.4	151.7	-177.3	-63	0	0	0	0	110.4	I114 M263 G264 F265 P266 P315 T324 L331	I114-V326 HydrophobicContact CG2-CG1 4.01Å; M263-V326 HydrophobicContact CB-CG2 4.19Å; M263-V326 HydrophobicContact SD-CG2 4.05Å; G264-V326 PolarHBondContact O-N 3.12Å; F265-V326 HydrophobicContact CD1-CG2 3.99Å; F265-V326 WeakPolarHBondContact CD1-O 3.39Å; F265-V326 HydrophobicContact CE1-CG2 3.59Å; F265-V326 HydrophobicContact CZ-CG2 4.14Å; P266-V326 WeakPolarHBondContact CD-O 3.22Å; P315-V326 HydrophobicContact CB-CG1 3.89Å; T324-V326 HydrophobicContact CG2-CG1 4.09Å; V326-L331 HydrophobicContact CG2-CD1 4.45Å
327	A	89.7	Confident	88.5	Confident	25 Å²	25	46.7 Å²	46.7	21%	0.207	27%	0.268	C	S	.	.			trans	-97.6	150.7	169.2	0	0	0	0	0	109.6	L314 P329 H330	L314-A327 HydrophobicContact CD1-CB 4.22Å; A327-P329 VanDerWaalsContact C-CD 3.42Å; A327-P329 VanDerWaalsContact C-N 3.3Å; A327-H330 WeakPolarHBondContact O-CB 3.41Å; A327-H330 PolarHBondContact O-N 3.04Å
328	A	89.2	Confident	88.1	Confident	67 Å²	67	45.6 Å²	45.6	55%	0.554	27%	0.265	S	S	*	.	H	α-helix	trans	-53.4	-39.2	177.5	0	0	0	0	0	113.7	H330 L331 A332	A328-H330 PolarHBondContact O-N 2.95Å; A328-L331 PolarHBondContact O-N 3.37Å; A328-A332 PolarHBondContact O-N 3.44Å
329	P	89.7	Confident	87.8	Confident	84 Å²	84	52.5 Å²	52.5	55%	0.545	30%	0.295	S	S	.	.	H	α-helix	trans	-60.7	-26.7	174.8	-26.2	36.3	0	0	0	114.7	A327 A332 R333	A327-P329 VanDerWaalsContact C-CD 3.42Å; A327-P329 VanDerWaalsContact C-N 3.3Å; P329-A332 PolarHBondContact O-N 3.15Å; P329-R333 WeakPolarHBondContact O-CG 3.19Å; P329-R333 PolarHBondContact O-N 2.94Å; P329-R333 VanDerWaalsContact O-N 3.11Å
330	H	88.5	Confident	87.5	Confident	28 Å²	28	51.2 Å²	51.2	13%	0.13	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-44.2	176.4	-61	161.4	0	0	0	110.9	P113 L314 A327 A328 A332 R333	P113-H330 HydrophobicContact CB-CB 4.04Å; P113-H330 HydrophobicContact CG-CB 4.06Å; P113-H330 WeakPolarHBondContact CG-O 3.38Å; L314-H330 VanDerWaalsContact C-CE1 3.47Å; L314-H330 PolarHBondContact O-CE1 2.66Å; L314-H330 VanDerWaalsContact O-CE1 3.29Å; A327-H330 WeakPolarHBondContact O-CB 3.41Å; A327-H330 PolarHBondContact O-N 3.04Å; A328-H330 PolarHBondContact O-N 2.95Å; H330-A332 VanDerWaalsContact C-N 3.34Å; H330-R333 PolarHBondContact CD2-NH2 3.41Å; H330-R333 VanDerWaalsContact CD2-NH2 3.31Å; H330-R333 PolarHBondContact O-N 2.78Å
331	L	86.2	Confident	87.3	Confident	36 Å²	36	48.7 Å²	48.7	19%	0.188	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-41.2	175.4	-62.4	178	0	0	0	111.2	I114 M263 F265 V326 A328 R333 A334	I114-L331 HydrophobicContact CD1-CD2 4.33Å; I114-L331 HydrophobicContact CG2-CD2 3.87Å; M263-L331 HydrophobicContact SD-CD1 4.4Å; M263-L331 HydrophobicContact SD-CD2 4.23Å; F265-L331 HydrophobicContact CE1-CD1 3.69Å; F265-L331 HydrophobicContact CZ-CD1 3.76Å; V326-L331 HydrophobicContact CG2-CD1 4.45Å; A328-L331 PolarHBondContact O-N 3.37Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 3.42Å; L331-A334 PolarHBondContact O-N 3.09Å
332	A	87.6	Confident	87.1	Confident	52 Å²	52	50.1 Å²	50.1	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-38.3	-179.4	0	0	0	0	0	112.4	A328 P329 H330 A334 Y335	A328-A332 PolarHBondContact O-N 3.44Å; P329-A332 PolarHBondContact O-N 3.15Å; H330-A332 VanDerWaalsContact C-N 3.34Å; A332-A334 PolarHBondContact O-N 2.92Å; A332-Y335 HydrophobicContact CB-CD2 4.47Å; A332-Y335 WeakPolarHBondContact O-CB 3.02Å; A332-Y335 PolarHBondContact O-N 2.67Å; A332-Y335 VanDerWaalsContact O-N 3.13Å
333	R	85.2	Confident	87.1	Confident	99 Å²	99	51 Å²	51	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-31.1	175.8	-80.5	-168.1	-68.2	176.3	-1.3	113.2	D110 P113 P329 H330 L331 Y335 H336	D110-R333 IonicContact OD1-NH1 3.6Å; D110-R333 PolarHBondContact OD1-NH1 3.35Å; P113-R333 HydrophobicContact CG-CB 4.2Å; P329-R333 WeakPolarHBondContact O-CG 3.19Å; P329-R333 PolarHBondContact O-N 2.94Å; P329-R333 VanDerWaalsContact O-N 3.11Å; H330-R333 PolarHBondContact CD2-NH2 3.41Å; H330-R333 VanDerWaalsContact CD2-NH2 3.31Å; H330-R333 PolarHBondContact O-N 2.78Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 3.42Å; R333-Y335 VanDerWaalsContact C-N 3.33Å; R333-Y335 PolarHBondContact O-N 3.31Å; R333-H336 PolarHBondContact O-CE1 3.07Å; R333-H336 PolarHBondContact O-ND1 2.95Å
334	A	84.3	Confident	87	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.025	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.7	179.3	0	0	0	0	0	114	M70 L331 A332 H336 H337	M70-A334 HydrophobicContact CE-CB 3.52Å; L331-A334 PolarHBondContact O-N 3.09Å; A332-A334 PolarHBondContact O-N 2.92Å; A334-H336 VanDerWaalsContact C-N 3.3Å; A334-H336 PolarHBondContact O-N 3.15Å; A334-H337 PolarHBondContact O-N 3.37Å
335	Y	84.5	Confident	87	Confident	127 Å²	127	54.1 Å²	54.1	50%	0.498	29%	0.289	S	S	.	.	H	α-helix	trans	-67.7	-24.5	-176.4	-75.6	-15.3	0	0	0	114.7	A332 R333 H337 L338 F339	A332-Y335 HydrophobicContact CB-CD2 4.47Å; A332-Y335 WeakPolarHBondContact O-CB 3.02Å; A332-Y335 PolarHBondContact O-N 2.67Å; A332-Y335 VanDerWaalsContact O-N 3.13Å; R333-Y335 VanDerWaalsContact C-N 3.33Å; R333-Y335 PolarHBondContact O-N 3.31Å; Y335-H337 PolarHBondContact O-N 3.14Å; Y335-L338 HydrophobicContact CD1-CD1 3.9Å; Y335-L338 HydrophobicContact CE1-CD1 4.32Å; Y335-L338 WeakPolarHBondContact O-CB 3.5Å; Y335-L338 PolarHBondContact O-N 3.09Å; Y335-F339 PolarHBondContact O-N 3.08Å
336	H	83.1	Confident	86.9	Confident	31 Å²	31	57.3 Å²	57.3	14%	0.144	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-23.4	177	68.9	-80.9	0	0	0	112.8	Q111 R333 A334 F339 P340 H417	Q111-H336 PolarHBondContact OE1-CE1 3.04Å; Q111-H336 PolarHBondContact OE1-NE2 2.61Å; R333-H336 PolarHBondContact O-CE1 3.07Å; R333-H336 PolarHBondContact O-ND1 2.95Å; A334-H336 VanDerWaalsContact C-N 3.3Å; A334-H336 PolarHBondContact O-N 3.15Å; H336-F339 CarbonylContact O-C 3.27Å; H336-P340 WeakPolarHBondContact O-CA 3.32Å; H336-H417 HydrophobicContact CB-CB 3.53Å; H336-H417 AromaticContact CD2-CD2 3.74Å; H336-H417 AromaticContact CD2-CG 3.92Å; H336-H417 AromaticContact CD2-NE2 3.83Å; H336-H417 AromaticContact CG-CD2 3.76Å; H336-H417 AromaticContact CG-CG 3.96Å
337	H	82.7	Confident	86.7	Confident	31 Å²	31	59.1 Å²	59.1	14%	0.144	32%	0.32	C	S	.	.	H	α-helix	trans	-72.9	-31.9	171.9	-62.4	-55.6	0	0	0	112.6	L68 Q111 P249 A334 Y335	L68-H337 HydrophobicContact CD1-CB 3.84Å; L68-H337 VanDerWaalsContact CD1-O 3.25Å; L68-H337 WeakPolarHBondContact CD1-O 3.43Å; Q111-H337 PolarHBondContact O-NE2 2.82Å; P249-H337 WeakPolarHBondContact CD-CE1 3.39Å; P249-H337 VanDerWaalsContact CD-ND1 3.31Å; P249-H337 WeakPolarHBondContact CD-ND1 3.28Å; P249-H337 WeakPolarHBondContact CD-NE2 3.32Å; P249-H337 HydrophobicContact CG-CB 3.99Å; A334-H337 PolarHBondContact O-N 3.37Å; Y335-H337 PolarHBondContact O-N 3.14Å
338	L	82.1	Confident	86.3	Confident	68 Å²	68	62.9 Å²	62.9	36%	0.356	34%	0.337	S	S	.	.	H	α-helix	trans	-80.9	-35.8	-179.5	-61.3	178.7	0	0	0	112	M70 Y335 P340	M70-L338 HydrophobicContact CE-CD1 4.18Å; M70-L338 HydrophobicContact CE-CD2 4.46Å; M70-L338 HydrophobicContact CE-CG 4.24Å; M70-L338 HydrophobicContact SD-CD1 4.05Å; M70-L338 HydrophobicContact SD-CD2 3.81Å; M70-L338 HydrophobicContact SD-CG 4.16Å; Y335-L338 HydrophobicContact CD1-CD1 3.9Å; Y335-L338 HydrophobicContact CE1-CD1 4.32Å; Y335-L338 WeakPolarHBondContact O-CB 3.5Å; Y335-L338 PolarHBondContact O-N 3.09Å; L338-P340 VanDerWaalsContact C-CD 3.5Å; L338-P340 WeakPolarHBondContact O-CD 3.31Å
339	F	82.8	Confident	85	Confident	146 Å²	146	62.2 Å²	62.2	64%	0.64	34%	0.336	S	S	*	.	S	Bend	trans	-125.2	72.5	-179.6	-53.9	-70.5	0	0	0	109.5	Y335 H336	Y335-F339 PolarHBondContact O-N 3.08Å; H336-F339 CarbonylContact O-C 3.27Å
340	P	83.7	Confident	83.2	Confident	80 Å²	80	63.8 Å²	63.8	52%	0.519	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-63.8	147.8	-178.3	27	-34.8	0	0	0	111.3	H336 L338 D342	H336-P340 WeakPolarHBondContact O-CA 3.32Å; L338-P340 VanDerWaalsContact C-CD 3.5Å; L338-P340 WeakPolarHBondContact O-CD 3.31Å; P340-D342 PolarHBondContact O-N 2.68Å
341	L	87.2	Confident	80.8	Confident	34 Å²	34	64.9 Å²	64.9	18%	0.178	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-68.8	124.9	173.6	-178.9	62.7	0	0	0	110.1	L343 F344 L412 C419	L341-L343 PolarHBondContact O-N 2.7Å; L341-F344 HydrophobicContact CD1-CE1 4.17Å; L341-F344 HydrophobicContact CD2-CE1 4.23Å; L341-F344 HydrophobicContact CD2-CZ 4.17Å; L341-F344 HydrophobicContact CG-CE1 4.26Å; L341-L412 HydrophobicContact CD2-CB 4.14Å; L341-C419 HydrophobicContact CD1-CB 3.93Å
342	D	86.9	Confident	78.2	Confident	67 Å²	67	69 Å²	69	36%	0.358	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-59.6	136.9	175.8	-62.7	-47.8	0	0	0	111.2	P340 F344 P398 K399 H413	P340-D342 PolarHBondContact O-N 2.68Å; D342-F344 WeakPolarHBondContact O-CD1 3.24Å; D342-F344 PolarHBondContact O-N 3.02Å; D342-P398 HydrophobicContact CB-CG 3.77Å; D342-K399 WeakPolarHBondContact OD2-CE 3.37Å; D342-K399 IonicContact OD2-NZ 2.78Å; D342-K399 PolarHBondContact OD2-NZ 3.29Å; D342-H413 PolarHBondContact O-NE2 2.72Å
343	L	89	Confident	75.9	Confident	58 Å²	58	73.3 Å²	73.3	30%	0.304	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-64.5	128.7	178.9	-65.6	176.1	0	0	0	110.9	R55 R56 L341	R55-L343 HydrophobicContact CB-CD2 3.99Å; R56-L343 HydrophobicContact CB-CD1 4.43Å; R56-L343 HydrophobicContact CG-CD1 3.51Å; L341-L343 PolarHBondContact O-N 2.7Å
344	F	91.7	Very high	73.4	Confident	1 Å²	1	73.3 Å²	73.3	0%	0.004	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-66.8	152.1	178.4	-64.5	-4.3	0	0	0	112.8	R52 L341 D342 Q396 C397 F404 D409 L412 H413 C419	R52-F344 PolarHBondContact NH2-O 3.44Å; L341-F344 HydrophobicContact CD1-CE1 4.17Å; L341-F344 HydrophobicContact CD2-CE1 4.23Å; L341-F344 HydrophobicContact CD2-CZ 4.17Å; L341-F344 HydrophobicContact CG-CE1 4.26Å; D342-F344 WeakPolarHBondContact O-CD1 3.24Å; D342-F344 PolarHBondContact O-N 3.02Å; F344-Q396 CarbonylContact C-O 3.54Å; F344-Q396 VanDerWaalsContact CA-O 3.24Å; F344-Q396 WeakPolarHBondContact CA-O 3.28Å; F344-Q396 VanDerWaalsContact CB-O 3.3Å; F344-Q396 WeakPolarHBondContact CB-O 3.26Å; F344-C397 HydrophobicContact CD1-CB 4.01Å; F344-C397 HydrophobicContact CE1-CB 3.78Å; F344-C397 HydrophobicContact CZ-CB 4.15Å; F344-F404 HydrophobicContact CD2-CB 4.41Å; F344-F404 AromaticContact CD2-CD2 3.78Å; F344-F404 HydrophobicContact CD2-CD2 3.78Å; F344-F404 HydrophobicContact CD2-CG 4.39Å; F344-F404 HydrophobicContact CE2-CB 4.29Å; F344-F404 AromaticContact CE2-CD2 3.29Å; F344-F404 HydrophobicContact CE2-CD2 3.29Å; F344-F404 AromaticContact CE2-CE2 3.75Å; F344-F404 HydrophobicContact CE2-CE2 3.75Å; F344-F404 AromaticContact CE2-CG 3.87Å; F344-F404 HydrophobicContact CE2-CG 3.87Å; F344-F404 HydrophobicContact CZ-CD2 4.04Å; F344-F404 HydrophobicContact CZ-CE2 4.03Å; F344-D409 VanDerWaalsContact CD2-OD1 3.28Å; F344-D409 WeakPolarHBondContact CD2-OD1 3.47Å; F344-L412 HydrophobicContact CE2-CD1 3.86Å; F344-L412 HydrophobicContact CZ-CD1 4.17Å; F344-H413 AromaticContact CD1-CE1 3.88Å; F344-H413 AromaticContact CD2-CE1 3.9Å; F344-H413 AromaticContact CG-CE1 3.8Å; F344-C419 HydrophobicContact CE1-CB 4.45Å; F344-C419 HydrophobicContact CZ-CB 4.17Å
345	E	89.8	Confident	71.1	Confident	100 Å²	100	82.1 Å²	82.1	47%	0.467	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.6	178.9	-67.6	179.4	166	0	0	109.9	V347 Q396	E345-V347 PolarHBondContact O-N 2.86Å; E345-Q396 PolarHBondContact N-O 3.36Å; E345-Q396 PolarHBondContact O-N 3.35Å
346	P	89.7	Confident	68.6	Low	67 Å²	67	81.6 Å²	81.6	44%	0.435	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125	176.6	29.2	-32.1	0	0	0	110	P393 G394 Y395	P346-P393 HydrophobicContact CB-CB 4.16Å; P346-G394 CarbonylContact C-O 3.57Å; P346-G394 WeakPolarHBondContact CA-O 3.37Å; P346-Y395 HydrophobicContact CB-CD1 4.36Å; P346-Y395 HydrophobicContact CB-CE1 4.15Å
347	V	87.4	Confident	66.1	Low	38 Å²	38	84.7 Å²	84.7	23%	0.23	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.4	179	-175	0	0	0	0	109.6	E345 R379 P393 G394 Q396	E345-V347 PolarHBondContact O-N 2.86Å; V347-R379 PolarHBondContact O-NH1 3.23Å; V347-R379 VanDerWaalsContact O-NH1 3.07Å; V347-P393 WeakPolarHBondContact O-CA 3.37Å; V347-G394 PolarHBondContact N-O 2.91Å; V347-G394 PolarHBondContact O-N 3.11Å; V347-Q396 HydrophobicContact CG2-CB 3.64Å
348	N	81.6	Confident	63.9	Low	104 Å²	104	91.8 Å²	91.8	56%	0.556	54%	0.539	S	S	*	.			trans	-85.9	147.3	171	-67.3	-24.6	0	0	0	109.6	S350 P393	N348-S350 PolarHBondContact O-N 3.15Å; N348-P393 WeakPolarHBondContact OD1-CB 3.39Å
349	G	62.2	Low	61.5	Low	52 Å²	52	95.3 Å²	95.3	54%	0.536	56%	0.558	S	S	.	*	S	Bend	trans	-69.5	35.5	-166.8	0	0	0	0	0	117.4
350	S	51.3	Low	59.1	Low	117 Å²	117	95 Å²	95	82%	0.818	56%	0.563	S	S	*	*			trans	-132.7	27.7	-178	64.3	0	0	0	0	113.4	N348	N348-S350 PolarHBondContact O-N 3.15Å
351	G	38.9	Very low	56.7	Low	51 Å²	51	98.8 Å²	98.8	53%	0.526	57%	0.574	S	S	.	*			trans	-120	116.3	178.9	0	0	0	0	0	111.9	F353	G351-F353 PolarHBondContact O-N 2.68Å
352	S	30	Very low	54.1	Low	124 Å²	124	104.4 Å²	104.4	87%	0.867	60%	0.599	S	S	*	*			trans	-51.4	122.5	176.6	46.6	0	0	0	0	112.9	S354	S352-S354 PolarHBondContact O-N 3.12Å
353	F	40.9	Very low	51.6	Low	142 Å²	142	110 Å²	110	62%	0.623	62%	0.62	S	S	*	*			trans	-71.4	119.4	165.4	-88.7	-94.9	0	0	0	109.3	G351 E355 I403	G351-F353 PolarHBondContact O-N 2.68Å; F353-E355 PolarHBondContact O-N 3.07Å; F353-I403 HydrophobicContact CE2-CD1 4.23Å; F353-I403 HydrophobicContact CZ-CD1 3.74Å
354	S	31.7	Very low	49.1	Very low	99 Å²	99	112.7 Å²	112.7	69%	0.692	64%	0.644	S	S	*	*			trans	-82.5	98.4	159	53.3	0	0	0	0	107.6	S352 T356	S352-S354 PolarHBondContact O-N 3.12Å; S354-T356 PolarHBondContact O-N 2.82Å; S354-T356 PolarHBondContact O-OG1 2.8Å
355	E	35.1	Very low	46.2	Very low	187 Å²	187	122.3 Å²	122.3	87%	0.874	69%	0.686	S	S	*	*			trans	-56.1	108.9	159.9	-73.4	-178.8	161	0	0	107.4	F353	F353-E355 PolarHBondContact O-N 3.07Å
356	T	33	Very low	43.8	Very low	116 Å²	116	126.7 Å²	126.7	71%	0.712	71%	0.706	S	S	*	*			trans	-119.5	117.3	166.4	-5.3	0	0	0	0	107	S354	S354-T356 PolarHBondContact O-N 2.82Å; S354-T356 PolarHBondContact O-OG1 2.8Å
357	S	31.3	Very low	41	Very low	96 Å²	96	129.4 Å²	129.4	67%	0.671	72%	0.722	S	S	*	*			trans	68.7	82.1	154.6	53.1	0	0	0	0	118.2
358	L	35.7	Very low	38.7	Very low	180 Å²	180	135.1 Å²	135.1	94%	0.942	75%	0.749	S	S	*	*				-128.1	104.6	128.5	-85	163.2	0	0	0	107.4
359	D	31.2	Very low	36.3	Very low	142 Å²	142	137.9 Å²	137.9	76%	0.759	76%	0.764	S	S	*	*			trans	-56.5	132.4	174.3	-67.2	-52.3	0	0	0	111.5
360	N	33.2	Very low	35.2	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	77%	0.773	S	S	*	*				175.9	112.7	121.5	-88.6	-38	0	0	0	113.3
361	Q	33.4	Very low	34.2	Very low	161 Å²	161	139.3 Å²	139.3	75%	0.752	77%	0.772	S	S	*	*			trans	57.6	115.3	132.8	-65.9	-178.9	0.8	0	0	121.5
362	E	32.6	Very low	33.9	Very low	152 Å²	152	144.8 Å²	144.8	71%	0.71	79%	0.789	S	S	*	*			trans	68.2	102.8	130	-66.1	-170.5	179.1	0	0	120.1
363	K	34	Very low	34.1	Very low	183 Å²	183	143.9 Å²	143.9	80%	0.796	78%	0.782	S	S	*	*				164.7	144.4	102.6	-97.6	158	-176.2	170.7	0	114.3
364	S	36.5	Very low	34	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	79%	0.788	S	S	*	*			trans	63.2	108.3	151.8	51.2	0	0	0	0	120.1
365	K	31.2	Very low	34.2	Very low	204 Å²	204	144.7 Å²	144.7	89%	0.887	79%	0.79	S	S	*	*			trans	-46.5	133.5	146.7	-68.8	169.4	171.8	177.6	0	110.8
366	E	38.2	Very low	34.9	Very low	192 Å²	192	142.7 Å²	142.7	90%	0.897	78%	0.78	S	S	*	*				-162.4	139.8	129.1	-106.5	167.3	-154.1	0	0	110.5
367	T	31.1	Very low	36.1	Very low	124 Å²	124	144.1 Å²	144.1	76%	0.761	78%	0.779	S	S	*	*			trans	-51.9	150.2	-178.9	40.8	0	0	0	0	114.8
368	I	39.7	Very low	37.9	Very low	158 Å²	158	145.9 Å²	145.9	81%	0.81	78%	0.776	S	S	*	*				-170.7	129	126.8	-88.2	143.9	0	0	0	109.4
369	D	31.6	Very low	40.2	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	74%	0.737	S	S	*	*			trans	-57.7	126.9	170.7	-68.2	-51.7	0	0	0	111.9
370	S	38.2	Very low	43	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	72%	0.724	S	S	*	*			trans	-155.7	95.3	163.2	-61.4	0	0	0	0	108.8
371	A	31.4	Very low	45.9	Very low	95 Å²	95	130 Å²	130	79%	0.785	69%	0.689	S	S	*	*			trans	-62.7	147	159.6	0	0	0	0	0	109.1
372	D	32.3	Very low	48.8	Very low	166 Å²	166	125.8 Å²	125.8	89%	0.888	67%	0.668	S	S	*	*			trans	86.4	67	177.8	-56.4	-23.9	0	0	0	118.1
373	S	33.1	Very low	51.6	Low	104 Å²	104	120.6 Å²	120.6	73%	0.727	66%	0.656	S	S	*	*			trans	-152.2	93.7	144.9	62.9	0	0	0	0	110.2	D375	S373-D375 PolarHBondContact O-N 2.85Å
374	V	38.9	Very low	54.5	Low	122 Å²	122	114.7 Å²	114.7	74%	0.739	64%	0.637	S	S	*	*			trans	-72.8	88	163.7	-175.7	0	0	0	0	106.1	H376	V374-H376 VanDerWaalsContact C-N 3.28Å; V374-H376 PolarHBondContact O-N 2.89Å
375	D	37.3	Very low	57.2	Low	136 Å²	136	115.1 Å²	115.1	73%	0.727	63%	0.631	S	S	*	*			trans	-67.2	91.7	175.3	-162	19.8	0	0	0	107.7	S373 Q377	S373-D375 PolarHBondContact O-N 2.85Å; D375-Q377 PolarHBondContact O-N 2.58Å
376	H	48.9	Very low	60.1	Low	145 Å²	145	109.3 Å²	109.3	67%	0.671	61%	0.612	S	S	*	*			trans	-67.3	83.3	171.6	-74	-46.7	0	0	0	107.8	V374 Q378	V374-H376 VanDerWaalsContact C-N 3.28Å; V374-H376 PolarHBondContact O-N 2.89Å; H376-Q378 PolarHBondContact O-N 2.97Å
377	Q	58.6	Low	62.5	Low	146 Å²	146	104.3 Å²	104.3	68%	0.682	59%	0.59	S	S	*	*			trans	-45.9	111.5	170.6	-96.2	178.9	-18.8	0	0	108.6	D375 R379	D375-Q377 PolarHBondContact O-N 2.58Å; Q377-R379 PolarHBondContact O-N 3.04Å
378	Q	69.7	Low	65.2	Low	133 Å²	133	98.8 Å²	98.8	62%	0.621	56%	0.556	S	S	*	*			trans	-63.5	120.3	-175.3	-66.6	-179.4	-4.1	0	0	108.4	H376 L380 I387	H376-Q378 PolarHBondContact O-N 2.97Å; Q378-L380 PolarHBondContact O-N 3.29Å; Q378-I387 HydrophobicContact CB-CG2 4.29Å; Q378-I387 VanDerWaalsContact OE1-CD1 3.31Å
379	R	82.3	Confident	67.3	Low	34 Å²	34	94.1 Å²	94.1	13%	0.128	54%	0.536	C	S	.	.			trans	-72.4	100.8	178.8	-65.2	-174.6	-62.5	159.4	7.6	109	V347 Q377 I388 P389 I392	V347-R379 PolarHBondContact O-NH1 3.23Å; V347-R379 VanDerWaalsContact O-NH1 3.07Å; Q377-R379 PolarHBondContact O-N 3.04Å; R379-I388 HydrophobicContact CB-CB 4.21Å; R379-I388 WeakPolarHBondContact O-CB 3.39Å; R379-I388 PolarHBondContact O-N 3.12Å; R379-P389 PolarHBondContact NH2-O 2.85Å; R379-I392 PolarHBondContact NH2-O 2.87Å
380	L	91.5	Very high	69.7	Low	93 Å²	93	90.9 Å²	90.9	49%	0.487	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-90.1	137.2	178.2	-68.6	162.5	0	0	0	110.7	Q378 F382 N385 I387	Q378-L380 PolarHBondContact O-N 3.29Å; L380-F382 PolarHBondContact O-N 3.1Å; L380-N385 WeakPolarHBondContact CD2-O 3.28Å; L380-I387 HydrophobicContact CD2-CB 4.43Å; L380-I387 HydrophobicContact CD2-CG1 3.53Å
381	C	94	Very high	71.6	Confident	0 Å²	0	94.6 Å²	94.6	0%	0	53%	0.529	C	S	.	.			trans	-72	121.8	170.5	176.6	0	0	0	0	110.1	G383 C384 N385 V386 I388 I403 C405	C381-G383 PolarHBondContact O-N 3.3Å; C381-G383 PolarHBondContact SG-N 3.2Å; C381-G383 VanDerWaalsContact SG-N 3.43Å; C381-C384 PolarHBondContact O-N 3.46Å; C381-C384 PolarHBondContact SG-SG 3.35Å; C381-N385 WeakPolarHBondContact O-CA 3.28Å; C381-N385 PolarHBondContact O-N 3.45Å; C381-N385 PolarHBondContact O-OD1 2.79Å; C381-V386 WeakPolarHBondContact CB-O 3.49Å; C381-V386 PolarHBondContact N-O 2.96Å; C381-I388 HydrophobicContact CB-CD1 4.15Å; C381-I388 HydrophobicContact CB-CG1 4.31Å; C381-I403 WeakPolarHBondContact CA-O 3.37Å; C381-C405 HydrophobicContact CB-CB 4.05Å; C381-C405 PolarHBondContact SG-N 2.96Å
382	F	94	Very high	74.1	Confident	73 Å²	73	91.1 Å²	91.1	32%	0.32	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.4	177.7	-175.1	-97.3	0	0	0	113.4	L380 F402 I403 F404	L380-F382 PolarHBondContact O-N 3.1Å; F382-F402 HydrophobicContact CB-CB 4.01Å; F382-F402 HydrophobicContact CB-CD1 4.49Å; F382-F402 HydrophobicContact CB-CG 4.38Å; F382-F402 HydrophobicContact CD1-CB 4.45Å; F382-F402 HydrophobicContact CD1-CD2 4.48Å; F382-F402 HydrophobicContact CD1-CG 4.36Å; F382-F402 HydrophobicContact CD2-CB 4.42Å; F382-F402 AromaticContact CD2-CD1 3.57Å; F382-F402 HydrophobicContact CD2-CD1 3.57Å; F382-F402 HydrophobicContact CD2-CD2 4.36Å; F382-F402 AromaticContact CD2-CE1 3.83Å; F382-F402 HydrophobicContact CD2-CE1 3.83Å; F382-F402 AromaticContact CD2-CG 3.87Å; F382-F402 HydrophobicContact CD2-CG 3.87Å; F382-F402 HydrophobicContact CD2-CZ 4.32Å; F382-F402 HydrophobicContact CE1-CD2 4.43Å; F382-F402 AromaticContact CE2-CD1 3.95Å; F382-F402 HydrophobicContact CE2-CD1 3.95Å; F382-F402 HydrophobicContact CE2-CD2 4.29Å; F382-F402 AromaticContact CE2-CE1 3.76Å; F382-F402 HydrophobicContact CE2-CE1 3.76Å; F382-F402 HydrophobicContact CE2-CE2 4.11Å; F382-F402 HydrophobicContact CE2-CG 4.22Å; F382-F402 AromaticContact CE2-CZ 3.84Å; F382-F402 HydrophobicContact CE2-CZ 3.84Å; F382-F402 HydrophobicContact CG-CB 4.05Å; F382-F402 HydrophobicContact CG-CD1 4.07Å; F382-F402 HydrophobicContact CG-CD2 4.45Å; F382-F402 AromaticContact CG-CG 3.94Å; F382-F402 HydrophobicContact CG-CG 3.94Å; F382-F402 HydrophobicContact CZ-CD2 4.33Å; F382-F402 HydrophobicContact CZ-CE2 4.14Å; F382-F402 HydrophobicContact CZ-CZ 4.28Å; F382-I403 PolarHBondContact N-O 2.77Å; F382-F404 HydrophobicContact CB-CD1 4.49Å; F382-F404 HydrophobicContact CB-CE1 4.03Å; F382-F404 HydrophobicContact CB-CZ 4.29Å; F382-F404 AromaticContact CD1-CE1 3.97Å; F382-F404 HydrophobicContact CD1-CE1 3.97Å; F382-F404 AromaticContact CD1-CZ 3.99Å; F382-F404 HydrophobicContact CD1-CZ 3.99Å; F382-F404 HydrophobicContact CG-CE1 4.5Å
383	G	91.8	Very high	76.7	Confident	44 Å²	44	83.6 Å²	83.6	45%	0.454	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-37.7	-176.9	0	0	0	0	0	114.8	C381	C381-G383 PolarHBondContact O-N 3.3Å; C381-G383 PolarHBondContact SG-N 3.2Å; C381-G383 VanDerWaalsContact SG-N 3.43Å
384	C	94.2	Very high	79.4	Confident	58 Å²	58	78.7 Å²	78.7	39%	0.392	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	2.4	-173.5	63.7	0	0	0	0	114.4	C381 V386	C381-C384 PolarHBondContact O-N 3.46Å; C381-C384 PolarHBondContact SG-SG 3.35Å; C384-V386 HydrophobicContact CB-CG2 4.28Å; C384-V386 PolarHBondContact O-N 2.91Å; C384-V386 VanDerWaalsContact SG-CG2 3.54Å
385	N	92.7	Very high	81.9	Confident	125 Å²	125	73 Å²	73	67%	0.668	39%	0.388	S	S	*	.			trans	55.7	18.8	-176.7	-66.3	-22.5	0	0	0	115.2	L380 C381	L380-N385 WeakPolarHBondContact CD2-O 3.28Å; C381-N385 WeakPolarHBondContact O-CA 3.28Å; C381-N385 PolarHBondContact O-N 3.45Å; C381-N385 PolarHBondContact O-OD1 2.79Å
386	V	91.9	Very high	84.6	Confident	81 Å²	81	68 Å²	68	49%	0.491	36%	0.36	S	S	.	.			trans	-78.3	136.9	174.4	175.6	0	0	0	0	110.1	C381 C384 I388	C381-V386 WeakPolarHBondContact CB-O 3.49Å; C381-V386 PolarHBondContact N-O 2.96Å; C384-V386 HydrophobicContact CB-CG2 4.28Å; C384-V386 PolarHBondContact O-N 2.91Å; C384-V386 VanDerWaalsContact SG-CG2 3.54Å; V386-I388 PolarHBondContact O-N 3Å
387	I	90.3	Very high	86.8	Confident	87 Å²	87	61.2 Å²	61.2	45%	0.446	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-68.8	125.5	173.4	-59.2	165.4	0	0	0	109.2	Q378 L380 P389	Q378-I387 HydrophobicContact CB-CG2 4.29Å; Q378-I387 VanDerWaalsContact OE1-CD1 3.31Å; L380-I387 HydrophobicContact CD2-CB 4.43Å; L380-I387 HydrophobicContact CD2-CG1 3.53Å; I387-P389 WeakPolarHBondContact O-CD 3.35Å
388	I	87.5	Confident	88.3	Confident	8 Å²	8	56 Å²	56	4%	0.041	31%	0.308	C	S	.	.			trans	-90.4	111.2	179.1	-57.1	172.5	0	0	0	108.3	R379 C381 V386 I403 C405	R379-I388 HydrophobicContact CB-CB 4.21Å; R379-I388 WeakPolarHBondContact O-CB 3.39Å; R379-I388 PolarHBondContact O-N 3.12Å; C381-I388 HydrophobicContact CB-CD1 4.15Å; C381-I388 HydrophobicContact CB-CG1 4.31Å; V386-I388 PolarHBondContact O-N 3Å; I388-I403 HydrophobicContact CD1-CG2 3.69Å; I388-C405 HydrophobicContact CD1-CB 4.2Å; I388-C405 HydrophobicContact CG1-CB 4.07Å
389	P	84.2	Confident	89.4	Confident	61 Å²	61	56.6 Å²	56.6	40%	0.396	31%	0.309	S	S	.	.			trans	-56.7	142.1	-178.4	-23.9	33.8	0	0	0	112	R379 I387 K391 I392	R379-P389 PolarHBondContact NH2-O 2.85Å; I387-P389 WeakPolarHBondContact O-CD 3.35Å; P389-K391 PolarHBondContact O-N 3.15Å; P389-I392 HydrophobicContact CG-CD1 4.29Å; P389-I392 PolarHBondContact O-N 3.46Å; P389-I392 VanDerWaalsContact O-O 3.11Å
390	S	80.5	Confident	89.9	Confident	92 Å²	92	55.9 Å²	55.9	64%	0.643	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-26.7	-178.8	-57.2	0	0	0	0	114.3	I392	S390-I392 VanDerWaalsContact C-N 3.32Å; S390-I392 PolarHBondContact O-N 3.46Å
391	K	79.2	Confident	90	Very high	184 Å²	184	56.5 Å²	56.5	80%	0.8	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-19	179.1	-62.1	-178.6	-177.8	177	0	114	P389	P389-K391 PolarHBondContact O-N 3.15Å
392	I	82.5	Confident	89.9	Confident	21 Å²	21	59.8 Å²	59.8	11%	0.108	32%	0.322	C	S	.	.	S	Bend	trans	-111.4	136.5	-176	-53.8	176	0	0	0	108.5	E41 R379 P389 S390	E41-I392 HydrophobicContact CB-CD1 4.32Å; R379-I392 PolarHBondContact NH2-O 2.87Å; P389-I392 HydrophobicContact CG-CD1 4.29Å; P389-I392 PolarHBondContact O-N 3.46Å; P389-I392 VanDerWaalsContact O-O 3.11Å; S390-I392 VanDerWaalsContact C-N 3.32Å; S390-I392 PolarHBondContact O-N 3.46Å
393	P	86.8	Confident	89.9	Confident	9 Å²	9	57 Å²	57	6%	0.058	31%	0.31	C	S	.	.			trans	-65.9	140.5	174.5	21.5	-28.4	0	0	0	111.4	H45 P346 V347 N348	H45-P393 VanDerWaalsContact CE1-CD 3.49Å; H45-P393 WeakPolarHBondContact CE1-CD 3.26Å; H45-P393 WeakPolarHBondContact CE1-CG 3.43Å; P346-P393 HydrophobicContact CB-CB 4.16Å; V347-P393 WeakPolarHBondContact O-CA 3.37Å; N348-P393 WeakPolarHBondContact OD1-CB 3.39Å
394	G	89.8	Confident	90.1	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	154.6	160.1	0	0	0	0	0	109.9	P346 V347	P346-G394 CarbonylContact C-O 3.57Å; P346-G394 WeakPolarHBondContact CA-O 3.37Å; V347-G394 PolarHBondContact N-O 2.91Å; V347-G394 PolarHBondContact O-N 3.11Å
395	Y	92.5	Very high	89.9	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.2	178.3	-63.9	-76.2	0	0	0	109.6	H48 P346 F404 H406 D409	H48-Y395 AromaticContact CE1-CD2 3.89Å; H48-Y395 AromaticContact CE1-CE1 3.92Å; H48-Y395 AromaticContact CE1-CE2 3.33Å; H48-Y395 WeakPolarHBondContact CE1-CE2 3.26Å; H48-Y395 AromaticContact CE1-CZ 3.35Å; H48-Y395 AromaticContact ND1-CE1 3.95Å; H48-Y395 AromaticContact ND1-CE2 3.35Å; H48-Y395 VanDerWaalsContact ND1-CE2 3.35Å; H48-Y395 WeakPolarHBondContact ND1-CE2 3.49Å; H48-Y395 AromaticContact ND1-CZ 3.11Å; H48-Y395 PolarHBondContact ND1-OH 3.44Å; P346-Y395 HydrophobicContact CB-CD1 4.36Å; P346-Y395 HydrophobicContact CB-CE1 4.15Å; Y395-F404 PolarHBondContact N-O 3.39Å; Y395-F404 PolarHBondContact O-N 2.96Å; Y395-H406 HydrophobicContact CD2-CB 4.48Å; Y395-H406 HydrophobicContact CE2-CB 3.8Å; Y395-D409 HydrophobicContact CD2-CB 3.96Å; Y395-D409 HydrophobicContact CG-CB 4.06Å
396	Q	94.1	Very high	89.8	Confident	32 Å²	32	49.4 Å²	49.4	15%	0.15	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.4	-174.8	-172.2	175.9	47.6	0	0	111.4	F344 E345 V347 K401 F402 I403	F344-Q396 CarbonylContact C-O 3.54Å; F344-Q396 VanDerWaalsContact CA-O 3.24Å; F344-Q396 WeakPolarHBondContact CA-O 3.28Å; F344-Q396 VanDerWaalsContact CB-O 3.3Å; F344-Q396 WeakPolarHBondContact CB-O 3.26Å; E345-Q396 PolarHBondContact N-O 3.36Å; E345-Q396 PolarHBondContact O-N 3.35Å; V347-Q396 HydrophobicContact CG2-CB 3.64Å; Q396-K401 HydrophobicContact CG-CB 4.5Å; Q396-K401 VanDerWaalsContact CG-O 3.31Å; Q396-K401 WeakPolarHBondContact CG-O 3.37Å; Q396-K401 PolarHBondContact NE2-O 3.48Å; Q396-F402 WeakPolarHBondContact CA-O 3.42Å; Q396-I403 HydrophobicContact CB-CG1 4.4Å; Q396-I403 HydrophobicContact CG-CG1 4.42Å
397	C	93.8	Very high	89.8	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.02	25%	0.251	C	S	.	.			trans	-68.5	130.4	172.9	179.9	0	0	0	0	110.5	F344 K399 C400 K401 F402 F404 C422	F344-C397 HydrophobicContact CD1-CB 4.01Å; F344-C397 HydrophobicContact CE1-CB 3.78Å; F344-C397 HydrophobicContact CZ-CB 4.15Å; C397-K399 PolarHBondContact O-N 3.03Å; C397-C400 WeakPolarHBondContact CB-SG 3.49Å; C397-K401 WeakPolarHBondContact O-CA 3.43Å; C397-K401 PolarHBondContact O-N 3.25Å; C397-F402 PolarHBondContact N-O 2.95Å; C397-F404 HydrophobicContact CB-CE2 4.22Å; C397-C422 VanDerWaalsContact SG-SG 3.67Å
398	P	91.7	Very high	89.9	Confident	36 Å²	36	45.3 Å²	45.3	23%	0.234	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.6	-177.4	24.4	-33.9	0	0	0	113.4	D342 K401	D342-P398 HydrophobicContact CB-CG 3.77Å; P398-K401 VanDerWaalsContact O-CE 3.28Å; P398-K401 WeakPolarHBondContact O-CE 3.27Å; P398-K401 PolarHBondContact O-NZ 3.48Å
399	K	91.8	Very high	90.2	Very high	146 Å²	146	45 Å²	45	64%	0.635	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-67.5	-178.5	-68.8	176.7	177.4	155.3	0	112.6	D342 C397	D342-K399 WeakPolarHBondContact OD2-CE 3.37Å; D342-K399 IonicContact OD2-NZ 2.78Å; D342-K399 PolarHBondContact OD2-NZ 3.29Å; C397-K399 PolarHBondContact O-N 3.03Å
400	C	93.4	Very high	90.4	Very high	19 Å²	19	43.1 Å²	43.1	13%	0.128	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.7	-175.5	62	0	0	0	0	114.6	C397 F402 C422 L425	C397-C400 WeakPolarHBondContact CB-SG 3.49Å; C400-F402 HydrophobicContact CB-CD2 3.76Å; C400-F402 HydrophobicContact CB-CE2 4.18Å; C400-F402 PolarHBondContact O-N 3.45Å; C400-F402 VanDerWaalsContact SG-CD2 3.58Å; C400-C422 VanDerWaalsContact SG-SG 3.63Å; C400-L425 HydrophobicContact CB-CD1 3.55Å
401	K	92.9	Very high	90.9	Very high	105 Å²	105	42.2 Å²	42.2	46%	0.457	22%	0.215	S	C	.	.			trans	60.3	7.8	179.8	-55.6	-56.5	-170.4	-168.2	0	116.3	Q396 C397 P398	Q396-K401 HydrophobicContact CG-CB 4.5Å; Q396-K401 VanDerWaalsContact CG-O 3.31Å; Q396-K401 WeakPolarHBondContact CG-O 3.37Å; Q396-K401 PolarHBondContact NE2-O 3.48Å; C397-K401 WeakPolarHBondContact O-CA 3.43Å; C397-K401 PolarHBondContact O-N 3.25Å; P398-K401 VanDerWaalsContact O-CE 3.28Å; P398-K401 WeakPolarHBondContact O-CE 3.27Å; P398-K401 PolarHBondContact O-NZ 3.48Å
402	F	93.4	Very high	91.6	Very high	69 Å²	69	33.9 Å²	33.9	30%	0.303	18%	0.179	S	C	.	.			trans	-68	147.9	169.9	-68.6	-60.6	0	0	0	112.4	F382 Q396 C397 C400 F404 L425	F382-F402 HydrophobicContact CB-CB 4.01Å; F382-F402 HydrophobicContact CB-CD1 4.49Å; F382-F402 HydrophobicContact CB-CG 4.38Å; F382-F402 HydrophobicContact CD1-CB 4.45Å; F382-F402 HydrophobicContact CD1-CD2 4.48Å; F382-F402 HydrophobicContact CD1-CG 4.36Å; F382-F402 HydrophobicContact CD2-CB 4.42Å; F382-F402 AromaticContact CD2-CD1 3.57Å; F382-F402 HydrophobicContact CD2-CD1 3.57Å; F382-F402 HydrophobicContact CD2-CD2 4.36Å; F382-F402 AromaticContact CD2-CE1 3.83Å; F382-F402 HydrophobicContact CD2-CE1 3.83Å; F382-F402 AromaticContact CD2-CG 3.87Å; F382-F402 HydrophobicContact CD2-CG 3.87Å; F382-F402 HydrophobicContact CD2-CZ 4.32Å; F382-F402 HydrophobicContact CE1-CD2 4.43Å; F382-F402 AromaticContact CE2-CD1 3.95Å; F382-F402 HydrophobicContact CE2-CD1 3.95Å; F382-F402 HydrophobicContact CE2-CD2 4.29Å; F382-F402 AromaticContact CE2-CE1 3.76Å; F382-F402 HydrophobicContact CE2-CE1 3.76Å; F382-F402 HydrophobicContact CE2-CE2 4.11Å; F382-F402 HydrophobicContact CE2-CG 4.22Å; F382-F402 AromaticContact CE2-CZ 3.84Å; F382-F402 HydrophobicContact CE2-CZ 3.84Å; F382-F402 HydrophobicContact CG-CB 4.05Å; F382-F402 HydrophobicContact CG-CD1 4.07Å; F382-F402 HydrophobicContact CG-CD2 4.45Å; F382-F402 AromaticContact CG-CG 3.94Å; F382-F402 HydrophobicContact CG-CG 3.94Å; F382-F402 HydrophobicContact CZ-CD2 4.33Å; F382-F402 HydrophobicContact CZ-CE2 4.14Å; F382-F402 HydrophobicContact CZ-CZ 4.28Å; Q396-F402 WeakPolarHBondContact CA-O 3.42Å; C397-F402 PolarHBondContact N-O 2.95Å; C400-F402 HydrophobicContact CB-CD2 3.76Å; C400-F402 HydrophobicContact CB-CE2 4.18Å; C400-F402 PolarHBondContact O-N 3.45Å; C400-F402 VanDerWaalsContact SG-CD2 3.58Å; F402-F404 HydrophobicContact CB-CE2 4.12Å; F402-F404 HydrophobicContact CB-CZ 4.31Å; F402-L425 HydrophobicContact CE2-CD1 4.23Å
403	I	93.5	Very high	91.9	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.082	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.1	-178	-59	178.4	0	0	0	110.4	F353 C381 F382 I388 Q396	F353-I403 HydrophobicContact CE2-CD1 4.23Å; F353-I403 HydrophobicContact CZ-CD1 3.74Å; C381-I403 WeakPolarHBondContact CA-O 3.37Å; F382-I403 PolarHBondContact N-O 2.77Å; I388-I403 HydrophobicContact CD1-CG2 3.69Å; Q396-I403 HydrophobicContact CB-CG1 4.4Å; Q396-I403 HydrophobicContact CG-CG1 4.42Å
404	F	94.4	Very high	91.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149	177.2	-61.3	-85.2	0	0	0	111.3	F344 F382 Y395 C397 F402 C408 L412 P420	F344-F404 HydrophobicContact CD2-CB 4.41Å; F344-F404 AromaticContact CD2-CD2 3.78Å; F344-F404 HydrophobicContact CD2-CD2 3.78Å; F344-F404 HydrophobicContact CD2-CG 4.39Å; F344-F404 HydrophobicContact CE2-CB 4.29Å; F344-F404 AromaticContact CE2-CD2 3.29Å; F344-F404 HydrophobicContact CE2-CD2 3.29Å; F344-F404 AromaticContact CE2-CE2 3.75Å; F344-F404 HydrophobicContact CE2-CE2 3.75Å; F344-F404 AromaticContact CE2-CG 3.87Å; F344-F404 HydrophobicContact CE2-CG 3.87Å; F344-F404 HydrophobicContact CZ-CD2 4.04Å; F344-F404 HydrophobicContact CZ-CE2 4.03Å; F382-F404 HydrophobicContact CB-CD1 4.49Å; F382-F404 HydrophobicContact CB-CE1 4.03Å; F382-F404 HydrophobicContact CB-CZ 4.29Å; F382-F404 AromaticContact CD1-CE1 3.97Å; F382-F404 HydrophobicContact CD1-CE1 3.97Å; F382-F404 AromaticContact CD1-CZ 3.99Å; F382-F404 HydrophobicContact CD1-CZ 3.99Å; F382-F404 HydrophobicContact CG-CE1 4.5Å; Y395-F404 PolarHBondContact N-O 3.39Å; Y395-F404 PolarHBondContact O-N 2.96Å; C397-F404 HydrophobicContact CB-CE2 4.22Å; F402-F404 HydrophobicContact CB-CE2 4.12Å; F402-F404 HydrophobicContact CB-CZ 4.31Å; F404-C408 HydrophobicContact CB-CB 4.07Å; F404-C408 HydrophobicContact CD1-CB 4.11Å; F404-L412 HydrophobicContact CD1-CD1 3.66Å; F404-L412 HydrophobicContact CD2-CD1 4.44Å; F404-L412 HydrophobicContact CE1-CD1 3.77Å; F404-L412 HydrophobicContact CG-CD1 4.01Å; F404-L412 HydrophobicContact CZ-CD1 4.22Å; F404-P420 HydrophobicContact CE1-CG 3.82Å; F404-P420 HydrophobicContact CZ-CG 4.03Å
405	C	92	Very high	91.4	Very high	13 Å²	13	40.2 Å²	40.2	9%	0.088	22%	0.219	C	C	.	.			trans	-74.9	168.5	169.6	72.3	0	0	0	0	110.9	C381 I388 S407 C408 D409	C381-C405 HydrophobicContact CB-CB 4.05Å; C381-C405 PolarHBondContact SG-N 2.96Å; I388-C405 HydrophobicContact CD1-CB 4.2Å; I388-C405 HydrophobicContact CG1-CB 4.07Å; C405-S407 VanDerWaalsContact C-N 3.28Å; C405-S407 PolarHBondContact O-N 3.04Å; C405-C408 PolarHBondContact O-N 3.13Å; C405-C408 PolarHBondContact SG-N 3.4Å; C405-C408 VanDerWaalsContact SG-N 3.44Å; C405-C408 VanDerWaalsContact SG-SG 3.68Å; C405-D409 WeakPolarHBondContact O-CB 3.47Å; C405-D409 PolarHBondContact O-N 2.75Å
406	H	89.8	Confident	91.3	Very high	54 Å²	54	44.6 Å²	44.6	25%	0.25	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-37.2	179.4	67.3	83.5	0	0	0	113.1	I44 H48 Y395 D409 A410	I44-H406 VanDerWaalsContact CG2-CE1 3.43Å; I44-H406 WeakPolarHBondContact CG2-CE1 3.46Å; H48-H406 HydrophobicContact CB-CB 4.42Å; H48-H406 PolarHBondContact NE2-O 3.31Å; Y395-H406 HydrophobicContact CD2-CB 4.48Å; Y395-H406 HydrophobicContact CE2-CB 3.8Å; H406-D409 PolarHBondContact O-N 3.22Å; H406-A410 WeakPolarHBondContact O-CB 3.36Å; H406-A410 PolarHBondContact O-N 2.77Å
407	S	91	Very high	91	Very high	62 Å²	62	44.8 Å²	44.8	43%	0.434	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-45.3	179.3	-55.3	0	0	0	0	111.7	C405 A410 V411	C405-S407 VanDerWaalsContact C-N 3.28Å; C405-S407 PolarHBondContact O-N 3.04Å; S407-A410 PolarHBondContact O-N 3.27Å; S407-V411 WeakPolarHBondContact O-CG2 3.46Å; S407-V411 PolarHBondContact O-N 2.85Å
408	C	93.5	Very high	90.8	Very high	20 Å²	20	47.1 Å²	47.1	14%	0.135	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-44.5	175.3	-72.3	0	0	0	0	110.8	F404 C405 A410 V411 L412	F404-C408 HydrophobicContact CB-CB 4.07Å; F404-C408 HydrophobicContact CD1-CB 4.11Å; C405-C408 PolarHBondContact O-N 3.13Å; C405-C408 PolarHBondContact SG-N 3.4Å; C405-C408 VanDerWaalsContact SG-N 3.44Å; C405-C408 VanDerWaalsContact SG-SG 3.68Å; C408-A410 VanDerWaalsContact C-N 3.28Å; C408-A410 PolarHBondContact O-N 3.04Å; C408-V411 PolarHBondContact O-N 3.11Å; C408-L412 HydrophobicContact CB-CD1 4.5Å; C408-L412 VanDerWaalsContact O-CB 3.26Å; C408-L412 WeakPolarHBondContact O-CB 3.19Å; C408-L412 WeakPolarHBondContact O-CD1 3.37Å; C408-L412 WeakPolarHBondContact O-CG 3.25Å; C408-L412 PolarHBondContact O-N 3.1Å
409	D	92.7	Very high	90.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-55.8	-43.7	174.9	178.3	86.6	0	0	0	111.9	H48 R52 R55 F344 Y395 C405 H406 H413	H48-D409 IonicContact CE1-OD2 3.9Å; H48-D409 PolarHBondContact CE1-OD2 2.77Å; H48-D409 IonicContact NE2-OD2 3.35Å; H48-D409 PolarHBondContact NE2-OD2 2.78Å; R52-D409 IonicContact CZ-OD1 2.6Å; R52-D409 IonicContact CZ-OD2 2.63Å; R52-D409 IonicContact NH1-OD1 3.22Å; R52-D409 PolarHBondContact NH1-OD1 3.26Å; R52-D409 IonicContact NH1-OD2 3.54Å; R52-D409 PolarHBondContact NH1-OD2 3.2Å; R55-D409 IonicContact NH1-OD2 2.81Å; R55-D409 PolarHBondContact NH1-OD2 2.99Å; F344-D409 VanDerWaalsContact CD2-OD1 3.28Å; F344-D409 WeakPolarHBondContact CD2-OD1 3.47Å; Y395-D409 HydrophobicContact CD2-CB 3.96Å; Y395-D409 HydrophobicContact CG-CB 4.06Å; C405-D409 WeakPolarHBondContact O-CB 3.47Å; C405-D409 PolarHBondContact O-N 2.75Å; H406-D409 PolarHBondContact O-N 3.22Å; D409-H413 PolarHBondContact O-N 3.33Å; D409-H413 VanDerWaalsContact O-N 3.15Å; D409-H413 PolarHBondContact O-ND1 3.28Å; D409-H413 IonicContact OD1-CE1 3.3Å; D409-H413 PolarHBondContact OD1-CE1 3.42Å; D409-H413 IonicContact OD1-ND1 3.91Å; D409-H413 PolarHBondContact OD1-ND1 2.88Å; D409-H413 IonicContact OD2-ND1 3.07Å
410	A	89.3	Confident	91	Very high	23 Å²	23	40.6 Å²	40.6	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-52	177.1	0	0	0	0	0	112.3	H406 S407 C408 L412 H413 D414	H406-A410 WeakPolarHBondContact O-CB 3.36Å; H406-A410 PolarHBondContact O-N 2.77Å; S407-A410 PolarHBondContact O-N 3.27Å; C408-A410 VanDerWaalsContact C-N 3.28Å; C408-A410 PolarHBondContact O-N 3.04Å; A410-L412 VanDerWaalsContact C-N 3.35Å; A410-L412 PolarHBondContact O-N 2.62Å; A410-H413 PolarHBondContact O-N 3.11Å; A410-D414 VanDerWaalsContact O-CB 3.28Å; A410-D414 WeakPolarHBondContact O-CB 3.32Å; A410-D414 PolarHBondContact O-N 3.28Å
411	V	91.8	Very high	91	Very high	73 Å²	73	39.7 Å²	39.7	44%	0.442	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-40.2	-179.3	173.8	0	0	0	0	111.9	S407 C408 H413 S415 I416	S407-V411 WeakPolarHBondContact O-CG2 3.46Å; S407-V411 PolarHBondContact O-N 2.85Å; C408-V411 PolarHBondContact O-N 3.11Å; V411-H413 VanDerWaalsContact C-N 3.34Å; V411-H413 PolarHBondContact O-N 3.19Å; V411-S415 WeakPolarHBondContact O-CB 3.37Å; V411-S415 PolarHBondContact O-N 3.04Å; V411-I416 HydrophobicContact CG1-CD1 3.86Å; V411-I416 HydrophobicContact CG1-CG1 4.19Å; V411-I416 PolarHBondContact O-N 2.88Å; V411-I416 VanDerWaalsContact O-N 3.1Å
412	L	92.7	Very high	91	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	21%	0.214	C	C	.	.	I	π-helix	trans	-65.7	-37.5	-179.5	-69.1	172.4	0	0	0	112.1	L341 F344 F404 C408 A410 I416 H417 S418 P420	L341-L412 HydrophobicContact CD2-CB 4.14Å; F344-L412 HydrophobicContact CE2-CD1 3.86Å; F344-L412 HydrophobicContact CZ-CD1 4.17Å; F404-L412 HydrophobicContact CD1-CD1 3.66Å; F404-L412 HydrophobicContact CD2-CD1 4.44Å; F404-L412 HydrophobicContact CE1-CD1 3.77Å; F404-L412 HydrophobicContact CG-CD1 4.01Å; F404-L412 HydrophobicContact CZ-CD1 4.22Å; C408-L412 HydrophobicContact CB-CD1 4.5Å; C408-L412 VanDerWaalsContact O-CB 3.26Å; C408-L412 WeakPolarHBondContact O-CB 3.19Å; C408-L412 WeakPolarHBondContact O-CD1 3.37Å; C408-L412 WeakPolarHBondContact O-CG 3.25Å; C408-L412 PolarHBondContact O-N 3.1Å; A410-L412 VanDerWaalsContact C-N 3.35Å; A410-L412 PolarHBondContact O-N 2.62Å; L412-I416 HydrophobicContact CD2-CB 4.32Å; L412-I416 HydrophobicContact CD2-CD1 4.03Å; L412-I416 HydrophobicContact CD2-CG2 4.37Å; L412-H417 WeakPolarHBondContact O-CA 3.29Å; L412-H417 PolarHBondContact O-N 2.61Å; L412-S418 WeakPolarHBondContact CD2-O 3.42Å; L412-P420 VanDerWaalsContact CD2-CD 3.41Å; L412-P420 HydrophobicContact CD2-CG 4.14Å
413	H	88.8	Confident	90.9	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.083	22%	0.223	C	C	.	.	I	π-helix	trans	-85.7	-30.1	179	-70.2	84.2	0	0	0	113.7	R55 D342 F344 D409 A410 V411 H417	R55-H413 VanDerWaalsContact CZ-CB 3.46Å; D342-H413 PolarHBondContact O-NE2 2.72Å; F344-H413 AromaticContact CD1-CE1 3.88Å; F344-H413 AromaticContact CD2-CE1 3.9Å; F344-H413 AromaticContact CG-CE1 3.8Å; D409-H413 PolarHBondContact O-N 3.33Å; D409-H413 VanDerWaalsContact O-N 3.15Å; D409-H413 PolarHBondContact O-ND1 3.28Å; D409-H413 IonicContact OD1-CE1 3.3Å; D409-H413 PolarHBondContact OD1-CE1 3.42Å; D409-H413 IonicContact OD1-ND1 3.91Å; D409-H413 PolarHBondContact OD1-ND1 2.88Å; D409-H413 IonicContact OD2-ND1 3.07Å; A410-H413 PolarHBondContact O-N 3.11Å; V411-H413 VanDerWaalsContact C-N 3.34Å; V411-H413 PolarHBondContact O-N 3.19Å; H413-H417 PolarHBondContact O-CE1 3.26Å; H413-H417 PolarHBondContact O-ND1 2.69Å
414	D	82.7	Confident	90.7	Very high	59 Å²	59	41.5 Å²	41.5	32%	0.316	25%	0.249	S	C	.	.	I	π-helix	trans	-96.3	-21.3	-174	-68.8	-13.8	0	0	0	114.3	R55 A410	R55-D414 IonicContact CZ-OD1 2.73Å; R55-D414 IonicContact NE-OD1 3.17Å; R55-D414 PolarHBondContact NE-OD1 3.17Å; R55-D414 IonicContact NH2-OD1 3.53Å; R55-D414 PolarHBondContact NH2-OD1 2.92Å; R55-D414 IonicContact NH2-OD2 3.3Å; R55-D414 PolarHBondContact NH2-OD2 3.29Å; A410-D414 VanDerWaalsContact O-CB 3.28Å; A410-D414 WeakPolarHBondContact O-CB 3.32Å; A410-D414 PolarHBondContact O-N 3.28Å
415	S	84.5	Confident	90.4	Very high	85 Å²	85	47.2 Å²	47.2	59%	0.594	28%	0.279	S	S	*	.	I	π-helix	trans	-130.4	-49.2	-173	-52.8	0	0	0	0	113.7	V411 H417	V411-S415 WeakPolarHBondContact O-CB 3.37Å; V411-S415 PolarHBondContact O-N 3.04Å; S415-H417 PolarHBondContact O-CD2 3.32Å
416	I	88.8	Confident	89.7	Confident	95 Å²	95	55.7 Å²	55.7	49%	0.487	32%	0.322	S	S	.	.	I	π-helix	trans	-85.2	-32.2	-173.5	-62.2	174.1	0	0	0	111.4	V411 L412 S418	V411-I416 HydrophobicContact CG1-CD1 3.86Å; V411-I416 HydrophobicContact CG1-CG1 4.19Å; V411-I416 PolarHBondContact O-N 2.88Å; V411-I416 VanDerWaalsContact O-N 3.1Å; L412-I416 HydrophobicContact CD2-CB 4.32Å; L412-I416 HydrophobicContact CD2-CD1 4.03Å; L412-I416 HydrophobicContact CD2-CG2 4.37Å; I416-S418 PolarHBondContact O-N 3.06Å; I416-S418 VanDerWaalsContact O-N 3.1Å
417	H	88.3	Confident	89.7	Confident	36 Å²	36	55.8 Å²	55.8	17%	0.167	33%	0.326	C	S	.	.			trans	53.2	27.1	-178.2	-52	-66.3	0	0	0	114.5	Q111 H336 L412 H413 S415	Q111-H417 PolarHBondContact NE2-NE2 3.41Å; H336-H417 HydrophobicContact CB-CB 3.53Å; H336-H417 AromaticContact CD2-CD2 3.74Å; H336-H417 AromaticContact CD2-CG 3.92Å; H336-H417 AromaticContact CD2-NE2 3.83Å; H336-H417 AromaticContact CG-CD2 3.76Å; H336-H417 AromaticContact CG-CG 3.96Å; L412-H417 WeakPolarHBondContact O-CA 3.29Å; L412-H417 PolarHBondContact O-N 2.61Å; H413-H417 PolarHBondContact O-CE1 3.26Å; H413-H417 PolarHBondContact O-ND1 2.69Å; S415-H417 PolarHBondContact O-CD2 3.32Å
418	S	90.8	Very high	89.6	Confident	51 Å²	51	55.5 Å²	55.5	36%	0.357	32%	0.32	S	S	.	.	S	Bend	trans	-151.6	142.6	179.9	-73.7	0	0	0	0	110.4	L412 I416	L412-S418 WeakPolarHBondContact CD2-O 3.42Å; I416-S418 PolarHBondContact O-N 3.06Å; I416-S418 VanDerWaalsContact O-N 3.1Å
419	C	93.6	Very high	89.4	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.034	33%	0.33	C	S	.	.			trans	-86.6	118.6	176.7	177.9	0	0	0	0	110.3	L341 F344 G421 C422 L423	L341-C419 HydrophobicContact CD1-CB 3.93Å; F344-C419 HydrophobicContact CE1-CB 4.45Å; F344-C419 HydrophobicContact CZ-CB 4.17Å; C419-G421 PolarHBondContact O-N 3.29Å; C419-C422 HydrophobicContact CB-CB 4.03Å; C419-C422 PolarHBondContact O-N 3.25Å; C419-L423 PolarHBondContact O-N 2.8Å
420	P	94.2	Very high	89.2	Confident	41 Å²	41	60.8 Å²	60.8	27%	0.266	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-32.9	-179.9	24.4	-35.1	0	0	0	112.3	F404 L412 C422 L423 T424	F404-P420 HydrophobicContact CE1-CG 3.82Å; F404-P420 HydrophobicContact CZ-CG 4.03Å; L412-P420 VanDerWaalsContact CD2-CD 3.41Å; L412-P420 HydrophobicContact CD2-CG 4.14Å; P420-C422 VanDerWaalsContact C-N 3.34Å; P420-C422 PolarHBondContact O-N 2.92Å; P420-L423 PolarHBondContact O-N 2.92Å; P420-T424 PolarHBondContact O-N 2.85Å; P420-T424 PolarHBondContact O-OG1 2.89Å
421	G	92.6	Very high	89.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-67.1	-33.4	175.6	0	0	0	0	0	113.2	C419 L425	C419-G421 PolarHBondContact O-N 3.29Å; G421-L425 WeakPolarHBondContact O-CG 3.34Å
422	C	92.5	Very high	89	Confident	31 Å²	31	62.5 Å²	62.5	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-71.8	-39.9	172	-66.7	0	0	0	0	111.1	C397 C400 C419 P420 T424 L425 L426	C397-C422 VanDerWaalsContact SG-SG 3.67Å; C400-C422 VanDerWaalsContact SG-SG 3.63Å; C419-C422 HydrophobicContact CB-CB 4.03Å; C419-C422 PolarHBondContact O-N 3.25Å; P420-C422 VanDerWaalsContact C-N 3.34Å; P420-C422 PolarHBondContact O-N 2.92Å; C422-T424 VanDerWaalsContact C-N 3.26Å; C422-T424 PolarHBondContact O-N 2.81Å; C422-L425 PolarHBondContact O-N 3.4Å; C422-L425 VanDerWaalsContact O-N 3.15Å; C422-L426 PolarHBondContact O-N 3.4Å
423	L	91.3	Very high	88.8	Confident	97 Å²	97	66.4 Å²	66.4	51%	0.508	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-29.8	178	-67.2	174.8	0	0	0	113.2	C419 P420 L425 L426	C419-L423 PolarHBondContact O-N 2.8Å; P420-L423 PolarHBondContact O-N 2.92Å; L423-L425 VanDerWaalsContact C-N 3.29Å; L423-L426 HydrophobicContact CD2-CD1 3.9Å
424	T	89.5	Confident	88.7	Confident	100 Å²	100	70.1 Å²	70.1	61%	0.613	40%	0.398	S	S	*	.	H	α-helix	trans	-75.9	-21.2	177.1	-49.5	0	0	0	0	112.2	P420 C422	P420-T424 PolarHBondContact O-N 2.85Å; P420-T424 PolarHBondContact O-OG1 2.89Å; C422-T424 VanDerWaalsContact C-N 3.26Å; C422-T424 PolarHBondContact O-N 2.81Å
425	L	87.8	Confident	89.3	Confident	120 Å²	120	71 Å²	71	63%	0.628	41%	0.405	S	S	*	.			trans	-96.6	-5.2	179.2	-66.5	173.1	0	0	0	113.1	C400 F402 G421 C422 L423	C400-L425 HydrophobicContact CB-CD1 3.55Å; F402-L425 HydrophobicContact CE2-CD1 4.23Å; G421-L425 WeakPolarHBondContact O-CG 3.34Å; C422-L425 PolarHBondContact O-N 3.4Å; C422-L425 VanDerWaalsContact O-N 3.15Å; L423-L425 VanDerWaalsContact C-N 3.29Å
426	L	77.1	Confident	89.7	Confident	191 Å²	191	69.7 Å²	69.7	100%	1	39%	0.388	S	S	*	.			trans	-78.9	0	169.1	-72.1	173	0	0	0	109.5	C422 L423	C422-L426 PolarHBondContact O-N 3.4Å; L423-L426 HydrophobicContact CD2-CD1 3.9Å

Retrieved 426 of 426 residues in 455.1 ms (Link to these results)

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