A0A087XPG6_POEFO Loading...

45 kDa calcium-binding protein

AlphaFold DB , UniProt , Accession A0A087XPG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 358 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	V	54.3	Low	52.4	Low	166 Å²	166	125.4 Å²	125.4	100%	1.006	66%	0.655	S	S	*	*				0	-45.9	0	-171.7	0	0	0	0	112.1	M3 A4	V1-M3 PolarHBondContact O-N 2.99Å; V1-A4 PolarHBondContact O-N 3.09Å
2	I	51	Low	52.9	Low	143 Å²	143	130.7 Å²	130.7	73%	0.733	66%	0.66	S	S	*	*	H	α-helix	trans	-66	-38.3	-176.9	-59.5	173.1	0	0	0	114.1	A4 V5 C6	I2-A4 PolarHBondContact O-N 3.48Å; I2-V5 PolarHBondContact O-N 3.23Å; I2-C6 PolarHBondContact O-N 2.97Å
3	M	47.7	Very low	53.7	Low	175 Å²	175	131.5 Å²	131.5	86%	0.862	66%	0.657	S	S	*	*	H	α-helix	trans	-69.8	-27.2	-180	-80.7	-159.3	-85.4	0	0	114.9	V1 R7	V1-M3 PolarHBondContact O-N 2.99Å; M3-R7 PolarHBondContact O-N 3.27Å
4	A	50	Low	54.3	Low	67 Å²	67	129.9 Å²	129.9	55%	0.554	65%	0.65	S	S	*	*	H	α-helix	trans	-74.3	-37.6	178.9	0	0	0	0	0	111.5	V1 I2 R7 D8	V1-A4 PolarHBondContact O-N 3.09Å; I2-A4 PolarHBondContact O-N 3.48Å; A4-R7 PolarHBondContact O-N 3.5Å; A4-D8 PolarHBondContact O-N 3.5Å
5	V	53.9	Low	55	Low	81 Å²	81	127.9 Å²	127.9	49%	0.491	64%	0.642	S	S	.	*	H	α-helix	trans	-67.8	-39.3	178.9	177.8	0	0	0	0	111.3	I2 R7 D8 L9	I2-V5 PolarHBondContact O-N 3.23Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.02Å; V5-D8 PolarHBondContact O-N 3.08Å; V5-L9 HydrophobicContact CG1-CD1 3.75Å; V5-L9 WeakPolarHBondContact O-CD1 3.49Å; V5-L9 PolarHBondContact O-N 3.3Å; V5-L9 VanDerWaalsContact O-N 3.12Å
6	C	49.6	Very low	55.7	Low	79 Å²	79	123.2 Å²	123.2	53%	0.534	63%	0.629	S	S	.	*	H	α-helix	trans	-65.6	-33.4	176.6	-75.7	0	0	0	0	113.4	I2 W10	I2-C6 PolarHBondContact O-N 2.97Å; C6-W10 PolarHBondContact O-N 3.48Å; C6-W10 VanDerWaalsContact O-N 3.08Å
7	R	51.9	Low	56.3	Low	205 Å²	205	123.1 Å²	123.1	77%	0.774	63%	0.629	S	S	*	*	H	α-helix	trans	-72.9	-36.7	-179.8	-153.8	174.1	78.8	176.5	6	112.3	M3 A4 V5 S11	M3-R7 PolarHBondContact O-N 3.27Å; A4-R7 PolarHBondContact O-N 3.5Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.02Å; R7-S11 WeakPolarHBondContact O-CB 3.47Å; R7-S11 PolarHBondContact O-N 3.36Å
8	D	53.5	Low	56.6	Low	105 Å²	105	119.8 Å²	119.8	56%	0.561	62%	0.62	S	S	*	*	H	α-helix	trans	-68.7	-38.9	173.8	-99	-8.3	0	0	0	112.5	A4 V5 S11 R12	A4-D8 PolarHBondContact O-N 3.5Å; V5-D8 PolarHBondContact O-N 3.08Å; D8-S11 PolarHBondContact O-N 3.49Å; D8-R12 WeakPolarHBondContact O-CB 3.4Å; D8-R12 VanDerWaalsContact O-CG 3.31Å; D8-R12 WeakPolarHBondContact O-CG 3.48Å; D8-R12 PolarHBondContact O-N 3.42Å
9	L	53.1	Low	56.9	Low	99 Å²	99	119.6 Å²	119.6	52%	0.518	62%	0.619	S	S	.	*	H	α-helix	trans	-66.8	-36.7	176	-97.4	132.5	0	0	0	112.5	V5 K13	V5-L9 HydrophobicContact CG1-CD1 3.75Å; V5-L9 WeakPolarHBondContact O-CD1 3.49Å; V5-L9 PolarHBondContact O-N 3.3Å; V5-L9 VanDerWaalsContact O-N 3.12Å; L9-K13 WeakPolarHBondContact O-CG 3.42Å; L9-K13 PolarHBondContact O-N 3.47Å
10	W	54.4	Low	57.1	Low	198 Å²	198	119 Å²	119	75%	0.75	62%	0.616	S	S	*	*	H	α-helix	trans	-71	-42.6	175	-111.2	47.2	0	0	0	112.6	C6 R12 K13 L14	C6-W10 PolarHBondContact O-N 3.48Å; C6-W10 VanDerWaalsContact O-N 3.08Å; W10-R12 PolarHBondContact O-N 3.36Å; W10-K13 PolarHBondContact O-N 3.47Å; W10-L14 HydrophobicContact CE3-CD1 4.43Å; W10-L14 PolarHBondContact O-N 3.43Å
11	S	57.2	Low	57.1	Low	61 Å²	61	119.9 Å²	119.9	43%	0.427	62%	0.615	S	S	.	*	H	α-helix	trans	-62.8	-42.7	177.6	-172.3	0	0	0	0	112.1	R7 D8 K13 L14 L15	R7-S11 WeakPolarHBondContact O-CB 3.47Å; R7-S11 PolarHBondContact O-N 3.36Å; D8-S11 PolarHBondContact O-N 3.49Å; S11-K13 VanDerWaalsContact C-N 3.35Å; S11-K13 PolarHBondContact O-N 2.83Å; S11-L14 PolarHBondContact O-N 2.9Å; S11-L15 PolarHBondContact O-N 3.47Å
12	R	57.9	Low	57.1	Low	189 Å²	189	120 Å²	120	71%	0.713	60%	0.599	S	S	*	*	H	α-helix	trans	-65.7	-35	176	-74.1	178.3	173.4	-158.1	-2.5	113	D8 W10 A16	D8-R12 WeakPolarHBondContact O-CB 3.4Å; D8-R12 VanDerWaalsContact O-CG 3.31Å; D8-R12 WeakPolarHBondContact O-CG 3.48Å; D8-R12 PolarHBondContact O-N 3.42Å; W10-R12 PolarHBondContact O-N 3.36Å; R12-A16 VanDerWaalsContact O-CB 3.3Å; R12-A16 WeakPolarHBondContact O-CB 3.48Å; R12-A16 PolarHBondContact O-N 3.02Å
13	K	63.7	Low	57.2	Low	142 Å²	142	119.5 Å²	119.5	62%	0.617	59%	0.592	S	S	*	*	H	α-helix	trans	-71.9	-35.6	175.2	-76	-165.2	176.8	-161	0	112.8	L9 W10 S11 L17	L9-K13 WeakPolarHBondContact O-CG 3.42Å; L9-K13 PolarHBondContact O-N 3.47Å; W10-K13 PolarHBondContact O-N 3.47Å; S11-K13 VanDerWaalsContact C-N 3.35Å; S11-K13 PolarHBondContact O-N 2.83Å; K13-L17 WeakPolarHBondContact O-CB 3.22Å; K13-L17 WeakPolarHBondContact O-CD1 3.32Å; K13-L17 WeakPolarHBondContact O-CG 3.5Å; K13-L17 PolarHBondContact O-N 3.45Å
14	L	62.1	Low	57.3	Low	108 Å²	108	115.9 Å²	115.9	57%	0.565	58%	0.575	S	S	*	*	H	α-helix	trans	-67.7	-42.2	173.9	-90.5	151.5	0	0	0	112.3	W10 S11 L17 S18	W10-L14 HydrophobicContact CE3-CD1 4.43Å; W10-L14 PolarHBondContact O-N 3.43Å; S11-L14 PolarHBondContact O-N 2.9Å; L14-L17 PolarHBondContact O-N 2.83Å; L14-S18 PolarHBondContact O-N 3.01Å
15	L	64.5	Low	57.1	Low	101 Å²	101	118 Å²	118	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-62.6	-44.6	172.7	-90.3	154.2	0	0	0	111.8	S11 L17 S18 L19	S11-L15 PolarHBondContact O-N 3.47Å; L15-L17 PolarHBondContact O-N 2.94Å; L15-S18 PolarHBondContact O-N 2.99Å; L15-S18 PolarHBondContact O-OG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.25Å
16	A	66.7	Low	56.7	Low	52 Å²	52	117.8 Å²	117.8	43%	0.43	58%	0.576	S	S	.	*	H	α-helix	trans	-62.7	-41.4	176.4	0	0	0	0	0	112.2	R12 L19 L20	R12-A16 VanDerWaalsContact O-CB 3.3Å; R12-A16 WeakPolarHBondContact O-CB 3.48Å; R12-A16 PolarHBondContact O-N 3.02Å; A16-L19 PolarHBondContact O-N 3.01Å; A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 PolarHBondContact O-N 2.93Å
17	L	66.1	Low	56.3	Low	121 Å²	121	119 Å²	119	63%	0.634	58%	0.576	S	S	*	*	H	α-helix	trans	-65	-38.7	174.7	-86.8	156.7	0	0	0	112.3	K13 L14 L15 L20 F21	K13-L17 WeakPolarHBondContact O-CB 3.22Å; K13-L17 WeakPolarHBondContact O-CD1 3.32Å; K13-L17 WeakPolarHBondContact O-CG 3.5Å; K13-L17 PolarHBondContact O-N 3.45Å; L14-L17 PolarHBondContact O-N 2.83Å; L15-L17 PolarHBondContact O-N 2.94Å; L17-L20 PolarHBondContact O-N 2.84Å; L17-F21 WeakPolarHBondContact O-CB 3.24Å; L17-F21 PolarHBondContact O-N 3.43Å
18	S	61.9	Low	55.6	Low	65 Å²	65	114.9 Å²	114.9	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-67.5	-37.8	175.9	77	0	0	0	0	112.4	L14 L15 F21 Y22	L14-S18 PolarHBondContact O-N 3.01Å; L15-S18 PolarHBondContact O-N 2.99Å; L15-S18 PolarHBondContact O-OG 3.31Å; S18-F21 PolarHBondContact O-N 3.34Å; S18-Y22 WeakPolarHBondContact O-CB 3.3Å; S18-Y22 PolarHBondContact O-N 2.93Å
19	L	62.3	Low	54.9	Low	116 Å²	116	114.6 Å²	114.6	61%	0.607	57%	0.572	S	S	*	*	H	α-helix	trans	-69.3	-37.7	175.5	-76.8	166.7	0	0	0	111.4	L15 A16 Y22 F23	L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.25Å; A16-L19 PolarHBondContact O-N 3.01Å; L19-Y22 PolarHBondContact O-N 3.4Å; L19-F23 VanDerWaalsContact O-CB 3.26Å; L19-F23 WeakPolarHBondContact O-CB 3.29Å; L19-F23 PolarHBondContact O-N 2.94Å
20	L	60.6	Low	54	Low	106 Å²	106	117.5 Å²	117.5	56%	0.555	58%	0.582	S	S	*	*	H	α-helix	trans	-68.7	-35.6	176	-132.5	149.7	0	0	0	111.6	A16 L17 F23 L24	A16-L20 WeakPolarHBondContact O-CB 3.32Å; A16-L20 PolarHBondContact O-N 2.93Å; L17-L20 PolarHBondContact O-N 2.84Å; L20-F23 PolarHBondContact O-N 3.42Å; L20-L24 HydrophobicContact CD2-CD1 3.88Å; L20-L24 HydrophobicContact CD2-CG 4.42Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CD1 3.48Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 3.26Å
21	F	56.2	Low	53.1	Low	139 Å²	139	111.7 Å²	111.7	61%	0.61	58%	0.576	S	S	*	*	H	α-helix	trans	-71.5	-38	174.6	-159.5	-100.9	0	0	0	112.1	L17 S18 L24 L25	L17-F21 WeakPolarHBondContact O-CB 3.24Å; L17-F21 PolarHBondContact O-N 3.43Å; S18-F21 PolarHBondContact O-N 3.34Å; F21-L24 PolarHBondContact O-N 2.91Å; F21-L25 HydrophobicContact CD1-CD1 3.66Å; F21-L25 HydrophobicContact CD1-CG 4.43Å; F21-L25 HydrophobicContact CE1-CD1 3.65Å; F21-L25 HydrophobicContact CE1-CG 4.34Å; F21-L25 WeakPolarHBondContact O-CB 3.38Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 3.43Å
22	Y	54.3	Low	52.1	Low	168 Å²	168	115.9 Å²	115.9	66%	0.659	58%	0.583	S	S	*	*	H	α-helix	trans	-66.5	-39.2	172.3	-148.5	-88.9	0	0	0	111.3	S18 L19 L25 T26	S18-Y22 WeakPolarHBondContact O-CB 3.3Å; S18-Y22 PolarHBondContact O-N 2.93Å; L19-Y22 PolarHBondContact O-N 3.4Å; Y22-L25 PolarHBondContact O-N 2.93Å; Y22-T26 HydrophobicContact CD1-CG2 4.24Å; Y22-T26 HydrophobicContact CE1-CG2 4.35Å; Y22-T26 WeakPolarHBondContact O-CG2 3.45Å; Y22-T26 PolarHBondContact O-N 3.49Å; Y22-T26 PolarHBondContact O-OG1 3.43Å
23	F	53.4	Low	50.9	Low	133 Å²	133	112.2 Å²	112.2	58%	0.583	58%	0.583	S	S	*	*	H	α-helix	trans	-65.7	-39.5	175.3	-159.1	-100.5	0	0	0	111.8	L19 L20 T26 L27	L19-F23 VanDerWaalsContact O-CB 3.26Å; L19-F23 WeakPolarHBondContact O-CB 3.29Å; L19-F23 PolarHBondContact O-N 2.94Å; L20-F23 PolarHBondContact O-N 3.42Å; F23-T26 WeakPolarHBondContact CA-OG1 3.46Å; F23-T26 PolarHBondContact O-N 2.95Å; F23-T26 PolarHBondContact O-OG1 2.83Å; F23-L27 HydrophobicContact CD1-CD1 3.6Å; F23-L27 HydrophobicContact CD1-CG 4.25Å; F23-L27 HydrophobicContact CE1-CD1 3.69Å; F23-L27 HydrophobicContact CE1-CG 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.49Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 3.4Å; F23-L27 VanDerWaalsContact O-N 3.09Å
24	L	49.4	Very low	49.5	Very low	98 Å²	98	108.2 Å²	108.2	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-68.5	-34.1	173.9	-78.4	161.9	0	0	0	112.6	L20 F21 L27	L20-L24 HydrophobicContact CD2-CD1 3.88Å; L20-L24 HydrophobicContact CD2-CG 4.42Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CD1 3.48Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 3.26Å; F21-L24 PolarHBondContact O-N 2.91Å; L24-L27 PolarHBondContact O-N 2.92Å
25	L	46.1	Very low	48.3	Very low	112 Å²	112	108.4 Å²	108.4	59%	0.586	58%	0.578	S	S	*	*	H	α-helix	trans	-71.2	-28.6	173.3	-80.9	163.4	0	0	0	113	F21 Y22	F21-L25 HydrophobicContact CD1-CD1 3.66Å; F21-L25 HydrophobicContact CD1-CG 4.43Å; F21-L25 HydrophobicContact CE1-CD1 3.65Å; F21-L25 HydrophobicContact CE1-CG 4.34Å; F21-L25 WeakPolarHBondContact O-CB 3.38Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 3.43Å; Y22-L25 PolarHBondContact O-N 2.93Å
26	T	46.7	Very low	46.6	Very low	76 Å²	76	112 Å²	112	47%	0.466	59%	0.594	S	S	.	*	H	α-helix	trans	-81.4	-15.6	172.5	53.5	0	0	0	0	113.6	Y22 F23	Y22-T26 HydrophobicContact CD1-CG2 4.24Å; Y22-T26 HydrophobicContact CE1-CG2 4.35Å; Y22-T26 WeakPolarHBondContact O-CG2 3.45Å; Y22-T26 PolarHBondContact O-N 3.49Å; Y22-T26 PolarHBondContact O-OG1 3.43Å; F23-T26 WeakPolarHBondContact CA-OG1 3.46Å; F23-T26 PolarHBondContact O-N 2.95Å; F23-T26 PolarHBondContact O-OG1 2.83Å
27	L	40.1	Very low	45.1	Very low	105 Å²	105	112.8 Å²	112.8	55%	0.55	60%	0.597	S	S	.	*	S	Bend	trans	-86.9	-5.2	177.5	-75.7	170.2	0	0	0	113.3	F23 L24 V29	F23-L27 HydrophobicContact CD1-CD1 3.6Å; F23-L27 HydrophobicContact CD1-CG 4.25Å; F23-L27 HydrophobicContact CE1-CD1 3.69Å; F23-L27 HydrophobicContact CE1-CG 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.49Å; F23-L27 WeakPolarHBondContact O-CG 3.38Å; F23-L27 PolarHBondContact O-N 3.4Å; F23-L27 VanDerWaalsContact O-N 3.09Å; L24-L27 PolarHBondContact O-N 2.92Å; L27-V29 VanDerWaalsContact C-N 3.33Å
28	D	37.3	Very low	43.4	Very low	119 Å²	119	110.6 Å²	110.6	64%	0.636	59%	0.592	S	S	*	*			trans	-99.5	29	175.8	-122.8	-23	0	0	0	112.6	H30	D28-H30 PolarHBondContact O-N 2.99Å; D28-H30 IonicContact OD1-CE1 3.26Å; D28-H30 PolarHBondContact OD1-CE1 3.46Å; D28-H30 VanDerWaalsContact OD1-CE1 3.26Å; D28-H30 IonicContact OD1-ND1 2.97Å; D28-H30 PolarHBondContact OD1-ND1 3.32Å
29	V	39	Very low	41.9	Very low	99 Å²	99	113.7 Å²	113.7	60%	0.6	61%	0.613	S	S	*	*			trans	-86.5	77.6	157.2	-174.9	0	0	0	0	106.3	L27 A31	L27-V29 VanDerWaalsContact C-N 3.33Å; V29-A31 HydrophobicContact CG1-CB 4.29Å; V29-A31 PolarHBondContact O-N 3.21Å
30	H	34.7	Very low	40.3	Very low	159 Å²	159	115.4 Å²	115.4	74%	0.736	62%	0.616	S	S	*	*			trans	-68.9	74.4	158.3	-73.9	86.7	0	0	0	107.2	D28 R32	D28-H30 PolarHBondContact O-N 2.99Å; D28-H30 IonicContact OD1-CE1 3.26Å; D28-H30 PolarHBondContact OD1-CE1 3.46Å; D28-H30 VanDerWaalsContact OD1-CE1 3.26Å; D28-H30 IonicContact OD1-ND1 2.97Å; D28-H30 PolarHBondContact OD1-ND1 3.32Å; H30-R32 PolarHBondContact O-N 3Å
31	A	35.5	Very low	38.7	Very low	76 Å²	76	117.8 Å²	117.8	63%	0.628	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-62.6	117.2	155.7	0	0	0	0	0	105.2	V29	V29-A31 HydrophobicContact CG1-CB 4.29Å; V29-A31 PolarHBondContact O-N 3.21Å
32	R	36.6	Very low	37.6	Very low	150 Å²	150	119 Å²	119	57%	0.566	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-50.1	136	162.7	-82.2	-178.6	172	-167.1	-8	106.1	H30 A34 D198	H30-R32 PolarHBondContact O-N 3Å; R32-A34 PolarHBondContact O-N 3.46Å; R32-D198 IonicContact CZ-OD2 2.94Å; R32-D198 IonicContact NH1-OD2 3.97Å; R32-D198 PolarHBondContact NH1-OD2 3.16Å; R32-D198 IonicContact NH2-OD2 3Å; R32-D198 PolarHBondContact NH2-OD2 2.94Å
33	P	31.1	Very low	36.2	Very low	111 Å²	111	115.6 Å²	115.6	72%	0.721	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-52.4	121.1	165.1	22.8	-29.3	0	0	0	106.2	N35	P33-N35 PolarHBondContact O-N 3.12Å
34	A	35.8	Very low	35.1	Very low	58 Å²	58	118.5 Å²	118.5	48%	0.479	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-51.1	132.2	168.8	0	0	0	0	0	106.2	R32 M36	R32-A34 PolarHBondContact O-N 3.46Å; A34-M36 PolarHBondContact O-N 3.14Å
35	N	37	Very low	34.1	Very low	113 Å²	113	116.2 Å²	116.2	60%	0.604	65%	0.645	S	S	*	*			trans	-48.3	105.6	175.9	-90.2	-18.8	0	0	0	107.4	P33 S37	P33-N35 PolarHBondContact O-N 3.12Å; N35-S37 PolarHBondContact O-N 3.33Å
36	M	28.2	Very low	33.5	Very low	175 Å²	175	114.7 Å²	114.7	86%	0.862	64%	0.641	S	S	*	*			trans	-77.8	84.3	177.9	-72	-165.7	71.4	0	0	106.1	A34 S38	A34-M36 PolarHBondContact O-N 3.14Å; M36-S38 PolarHBondContact O-N 3.12Å
37	S	35.9	Very low	33.2	Very low	69 Å²	69	117.8 Å²	117.8	48%	0.483	65%	0.648	S	S	.	*			trans	-68.1	81	158	67.5	0	0	0	0	106.6	N35 S39 D66	N35-S37 PolarHBondContact O-N 3.33Å; S37-S39 PolarHBondContact O-N 2.77Å; S37-S39 VanDerWaalsContact O-N 3.15Å; S37-D66 PolarHBondContact OG-OD2 3.34Å
38	S	28.5	Very low	33.3	Very low	75 Å²	75	119.5 Å²	119.5	52%	0.524	66%	0.658	S	S	.	*			trans	-53.6	125.6	162.6	60.7	0	0	0	0	106.3	M36 K40	M36-S38 PolarHBondContact O-N 3.12Å; S38-K40 PolarHBondContact O-N 2.82Å
39	S	31.2	Very low	33.7	Very low	130 Å²	130	119 Å²	119	91%	0.909	65%	0.651	S	S	*	*			trans	-55.6	83	169.3	-35.2	0	0	0	0	108.4	S37	S37-S39 PolarHBondContact O-N 2.77Å; S37-S39 VanDerWaalsContact O-N 3.15Å
40	K	27.7	Very low	34.3	Very low	153 Å²	153	118.5 Å²	118.5	67%	0.665	65%	0.646	S	S	*	*			trans	-83.1	117.1	174	-102.6	176.8	179.6	167.5	0	105.2	S38 K42	S38-K40 PolarHBondContact O-N 2.82Å; K40-K42 PolarHBondContact O-N 3.42Å
41	D	28	Very low	35.4	Very low	155 Å²	155	116 Å²	116	83%	0.829	63%	0.634	S	S	*	*			trans	-36.8	128.5	158.6	-86.2	-43.7	0	0	0	109.3	S43	D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 3.36Å
42	K	32.9	Very low	37.1	Very low	164 Å²	164	113.7 Å²	113.7	71%	0.713	61%	0.611	S	S	*	*			trans	-39.7	88	176.2	-121.8	178.6	-179.3	-176.5	0	110.2	K40 Q44 E87	K40-K42 PolarHBondContact O-N 3.42Å; K42-Q44 PolarHBondContact O-N 2.88Å; K42-E87 VanDerWaalsContact NZ-CD 3.26Å; K42-E87 IonicContact NZ-OE1 3.33Å; K42-E87 PolarHBondContact NZ-OE1 3.34Å; K42-E87 IonicContact NZ-OE2 2.79Å; K42-E87 PolarHBondContact NZ-OE2 3.24Å
43	S	25.6	Very low	38.9	Very low	97 Å²	97	108.3 Å²	108.3	68%	0.678	59%	0.593	S	S	*	*			trans	-88.3	107.3	168.4	55.2	0	0	0	0	106.2	D41 A45	D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 3.36Å; S43-A45 PolarHBondContact O-N 2.82Å
44	Q	30.7	Very low	40.9	Very low	195 Å²	195	103.6 Å²	103.6	91%	0.911	56%	0.563	S	S	*	*			trans	-53.7	96.9	-177.4	-156.3	168.3	16.7	0	0	110.2	K42 T46	K42-Q44 PolarHBondContact O-N 2.88Å; Q44-T46 PolarHBondContact O-N 3.01Å
45	A	28.2	Very low	42.7	Very low	49 Å²	49	103.3 Å²	103.3	41%	0.405	56%	0.556	S	S	.	*			trans	-65	130.8	167.9	0	0	0	0	0	107.8	S43 K47 N50	S43-A45 PolarHBondContact O-N 2.82Å; A45-K47 PolarHBondContact O-N 2.84Å; A45-N50 VanDerWaalsContact CB-ND2 3.33Å; A45-N50 WeakPolarHBondContact CB-ND2 3.36Å
46	T	32.6	Very low	44.1	Very low	80 Å²	80	105.7 Å²	105.7	49%	0.491	57%	0.569	S	S	.	*			trans	-60.2	130.4	173.2	28.8	0	0	0	0	108.8	Q44 D48 E49	Q44-T46 PolarHBondContact O-N 3.01Å; T46-D48 PolarHBondContact O-N 2.67Å; T46-E49 PolarHBondContact O-N 2.82Å; T46-E49 WeakPolarHBondContact OG1-CG 3.39Å; T46-E49 PolarHBondContact OG1-OE1 3.16Å; T46-E49 VanDerWaalsContact OG1-OE1 3.05Å
47	K	41.4	Very low	46.4	Very low	141 Å²	141	100.2 Å²	100.2	61%	0.613	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-29.1	-172.9	-151	163.8	-173.2	154.4	0	113.7	A45 E84	A45-K47 PolarHBondContact O-N 2.84Å; K47-E84 IonicContact NZ-OE1 3.6Å; K47-E84 PolarHBondContact NZ-OE1 3.45Å; K47-E84 IonicContact NZ-OE2 3.4Å; K47-E84 PolarHBondContact NZ-OE2 3.2Å
48	D	41.2	Very low	48.3	Very low	142 Å²	142	97 Å²	97	76%	0.759	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.6	178.6	-67.4	-15.1	0	0	0	114.9	T46	T46-D48 PolarHBondContact O-N 2.67Å
49	E	45.8	Very low	50.6	Low	107 Å²	107	96.8 Å²	96.8	50%	0.5	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-16.4	-176.3	-68.5	-179	-160	0	0	113.1	T46	T46-E49 PolarHBondContact O-N 2.82Å; T46-E49 WeakPolarHBondContact OG1-CG 3.39Å; T46-E49 PolarHBondContact OG1-OE1 3.16Å; T46-E49 VanDerWaalsContact OG1-OE1 3.05Å
50	N	51.1	Low	52.8	Low	90 Å²	90	91 Å²	91	48%	0.481	47%	0.472	S	S	.	.	S	Bend	trans	-100.4	-9.5	-172.4	-79.8	-0.3	0	0	0	115.1	A45 I52 L53	A45-N50 VanDerWaalsContact CB-ND2 3.33Å; A45-N50 WeakPolarHBondContact CB-ND2 3.36Å; N50-I52 PolarHBondContact O-N 2.91Å; N50-I52 VanDerWaalsContact O-N 3.1Å; N50-L53 PolarHBondContact O-N 3.06Å
51	E	59.3	Low	55.6	Low	105 Å²	105	83.8 Å²	83.8	49%	0.491	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.2	-171.6	-67.1	-173.8	168.3	0	0	114.4	S141	E51-S141 WeakPolarHBondContact O-CB 3.48Å; E51-S141 PolarHBondContact O-OG 3.02Å
52	I	69.5	Low	58.3	Low	29 Å²	29	77 Å²	77	15%	0.149	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-8.7	-174.4	-52.1	175	0	0	0	111.6	N50 V145 Y158 K161	N50-I52 PolarHBondContact O-N 2.91Å; N50-I52 VanDerWaalsContact O-N 3.1Å; I52-V145 HydrophobicContact CD1-CG1 4.17Å; I52-V145 HydrophobicContact CG1-CG1 4.33Å; I52-V145 HydrophobicContact CG2-CG1 3.59Å; I52-Y158 HydrophobicContact CG2-CD2 3.99Å; I52-Y158 HydrophobicContact CG2-CE2 3.48Å; I52-Y158 VanDerWaalsContact CG2-CE2 3.48Å; I52-Y158 WeakPolarHBondContact O-CE2 3.41Å; I52-Y158 PolarHBondContact O-OH 3.09Å; I52-K161 HydrophobicContact CD1-CB 4.23Å
53	L	74.3	Confident	60.8	Low	37 Å²	37	69.2 Å²	69.2	19%	0.194	37%	0.37	C	S	.	.	S	Bend	trans	-96.1	135.1	176	-82.5	172.5	0	0	0	109.4	N50 F162 L196	N50-L53 PolarHBondContact O-N 3.06Å; L53-F162 HydrophobicContact CD1-CD2 4.49Å; L53-F162 HydrophobicContact CD1-CE2 4.12Å; L53-F162 HydrophobicContact CD2-CD2 3.56Å; L53-F162 HydrophobicContact CD2-CE2 3.47Å; L53-F162 VanDerWaalsContact CD2-CE2 3.47Å; L53-F162 HydrophobicContact CG-CD2 4.14Å; L53-F162 HydrophobicContact CG-CE2 4.16Å; L53-L196 HydrophobicContact CD2-CD1 3.7Å; L53-L196 HydrophobicContact CD2-CD2 4.4Å
54	P	74.4	Confident	63.5	Low	12 Å²	12	65.8 Å²	65.8	8%	0.078	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-57.6	135.1	164.4	-13.9	25.9	0	0	0	109	L196 F220 L221	P54-L196 HydrophobicContact CG-CD2 3.68Å; P54-F220 HydrophobicContact CG-CD1 4.27Å; P54-F220 HydrophobicContact CG-CE1 3.73Å; P54-F220 HydrophobicContact CG-CE2 4.16Å; P54-F220 HydrophobicContact CG-CZ 3.67Å; P54-L221 HydrophobicContact CB-CD2 4.46Å; P54-L221 HydrophobicContact CG-CD2 4.1Å
55	P	72.4	Confident	65.6	Low	52 Å²	52	58.3 Å²	58.3	34%	0.338	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-66.5	142.7	-178.7	29.3	-33.8	0	0	0	109.9	H57 L58 L221	P55-H57 WeakPolarHBondContact CB-O 3.31Å; P55-H57 PolarHBondContact O-N 3.16Å; P55-L58 HydrophobicContact CG-CD2 4.2Å; P55-L221 VanDerWaalsContact CD-O 3.31Å; P55-L221 WeakPolarHBondContact CD-O 3.38Å
56	D	66.6	Low	67.8	Low	163 Å²	163	57.7 Å²	57.7	87%	0.872	30%	0.299	S	S	*	.	S	Bend	trans	-63.8	-36.7	175.1	-76.5	-14.7	0	0	0	111
57	H	76	Confident	69.9	Low	60 Å²	60	54 Å²	54	28%	0.278	28%	0.277	S	S	.	.	S	Bend	trans	-105.2	127.2	179.4	167.8	75	0	0	0	110.2	P55 N59 E64 N70 E76	P55-H57 WeakPolarHBondContact CB-O 3.31Å; P55-H57 PolarHBondContact O-N 3.16Å; H57-N59 PolarHBondContact CD2-OD1 3.04Å; H57-N59 PolarHBondContact NE2-OD1 3.48Å; H57-E64 WeakPolarHBondContact CA-OE2 3.43Å; H57-E64 IonicContact CE1-OE1 2.77Å; H57-E64 PolarHBondContact CE1-OE1 3.02Å; H57-E64 IonicContact CG-OE1 3.34Å; H57-E64 IonicContact ND1-OE1 3.83Å; H57-E64 PolarHBondContact ND1-OE1 3.44Å; H57-E64 IonicContact ND1-OE2 3.05Å; H57-N70 VanDerWaalsContact CE1-CG 3.44Å; H57-N70 PolarHBondContact CE1-ND2 3.36Å; H57-N70 PolarHBondContact CE1-OD1 3.39Å; H57-E76 IonicContact CE1-OE1 3.75Å; H57-E76 PolarHBondContact CE1-OE1 3.45Å; H57-E76 IonicContact CE1-OE2 3.05Å; H57-E76 VanDerWaalsContact NE2-CD 3.3Å; H57-E76 IonicContact NE2-OE1 3.26Å; H57-E76 PolarHBondContact NE2-OE1 2.98Å; H57-E76 IonicContact NE2-OE2 3.26Å
58	L	76.5	Confident	71.8	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.			trans	-98.5	98.4	-175.8	-63.6	171.2	0	0	0	110.4	P55 G60 L61 E64 M65 P223 M233	P55-L58 HydrophobicContact CG-CD2 4.2Å; L58-G60 PolarHBondContact O-N 3.5Å; L58-L61 HydrophobicContact CB-CB 4.22Å; L58-L61 HydrophobicContact CB-CD1 3.66Å; L58-L61 HydrophobicContact CB-CG 4.07Å; L58-L61 HydrophobicContact CD1-CD1 3.7Å; L58-L61 HydrophobicContact CG-CD1 4.29Å; L58-L61 PolarHBondContact O-N 3.06Å; L58-L61 VanDerWaalsContact O-N 3.11Å; L58-E64 PolarHBondContact N-OE2 3.45Å; L58-E64 VanDerWaalsContact N-OE2 3.13Å; L58-M65 HydrophobicContact CD1-CG 3.98Å; L58-M65 HydrophobicContact CD1-SD 4.08Å; L58-P223 HydrophobicContact CD1-CG 3.63Å; L58-P223 HydrophobicContact CD2-CG 3.48Å; L58-P223 VanDerWaalsContact CD2-CG 3.48Å; L58-P223 HydrophobicContact CG-CG 4.22Å; L58-M233 HydrophobicContact CD1-CE 3.24Å; L58-M233 HydrophobicContact CD1-SD 3.6Å; L58-M233 VanDerWaalsContact CD1-SD 3.6Å
59	N	77.1	Confident	73.8	Confident	71 Å²	71	45 Å²	45	38%	0.38	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	131.2	179.1	-73	-18.4	0	0	0	111.1	H57 L61 E76 H130	H57-N59 PolarHBondContact CD2-OD1 3.04Å; H57-N59 PolarHBondContact NE2-OD1 3.48Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 3.19Å; N59-E76 VanDerWaalsContact CA-OE2 3.28Å; N59-E76 WeakPolarHBondContact CA-OE2 3.35Å; N59-H130 WeakPolarHBondContact CB-NE2 3.47Å; N59-H130 PolarHBondContact O-NE2 2.76Å
60	G	78.1	Confident	75.7	Confident	9 Å²	9	40.6 Å²	40.6	9%	0.093	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	12.7	177.7	0	0	0	0	0	114.8	L58 F73 E76 P305	L58-G60 PolarHBondContact O-N 3.5Å; G60-F73 WeakPolarHBondContact O-CE2 3.46Å; G60-E76 PolarHBondContact N-OE2 3.17Å; G60-P305 WeakPolarHBondContact O-CB 3.35Å
61	L	85.6	Confident	77.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.224	C	C	.	.			trans	-107.5	143	166.4	-63.6	-173.4	0	0	0	111.5	L58 N59 N70 F73 E224 L230 M233 M303 P305	L58-L61 HydrophobicContact CB-CB 4.22Å; L58-L61 HydrophobicContact CB-CD1 3.66Å; L58-L61 HydrophobicContact CB-CG 4.07Å; L58-L61 HydrophobicContact CD1-CD1 3.7Å; L58-L61 HydrophobicContact CG-CD1 4.29Å; L58-L61 PolarHBondContact O-N 3.06Å; L58-L61 VanDerWaalsContact O-N 3.11Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 3.19Å; L61-N70 WeakPolarHBondContact O-CB 3.42Å; L61-N70 PolarHBondContact O-ND2 3.13Å; L61-F73 VanDerWaalsContact C-CD2 3.45Å; L61-F73 WeakPolarHBondContact O-CD2 3.35Å; L61-E224 HydrophobicContact CD1-CB 4.1Å; L61-E224 HydrophobicContact CD2-CB 3.89Å; L61-E224 HydrophobicContact CG-CB 4.05Å; L61-L230 HydrophobicContact CD1-CD1 4.35Å; L61-L230 HydrophobicContact CD2-CD1 4.22Å; L61-M233 HydrophobicContact CD1-CE 3.71Å; L61-M233 HydrophobicContact CD1-SD 4.12Å; L61-M303 HydrophobicContact CB-CE 4.28Å; L61-M303 HydrophobicContact CD1-CE 4.12Å; L61-M303 VanDerWaalsContact CD2-O 3.28Å; L61-M303 WeakPolarHBondContact CD2-O 3.23Å; L61-P305 HydrophobicContact CD2-CB 4.13Å; L61-P305 HydrophobicContact CD2-CG 4.04Å
62	K	84.7	Confident	78.4	Confident	14 Å²	14	41.9 Å²	41.9	6%	0.061	22%	0.216	C	C	.	.	S	Bend	trans	-76.4	-20.5	-179.2	-73.1	-164.8	163.7	-144.2	0	114.3	N70 F73 E281 Y302 E314	K62-N70 PolarHBondContact O-N 3.02Å; K62-F73 HydrophobicContact CD-CE1 4.13Å; K62-F73 HydrophobicContact CD-CZ 4.24Å; K62-F73 HydrophobicContact CG-CD1 3.88Å; K62-F73 HydrophobicContact CG-CD2 3.89Å; K62-F73 HydrophobicContact CG-CE1 3.64Å; K62-F73 HydrophobicContact CG-CE2 3.62Å; K62-F73 HydrophobicContact CG-CG 4.01Å; K62-F73 HydrophobicContact CG-CZ 3.49Å; K62-F73 VanDerWaalsContact CG-CZ 3.49Å; K62-E281 IonicContact NZ-OE2 2.73Å; K62-Y302 HydrophobicContact CB-CE1 3.66Å; K62-Y302 HydrophobicContact CB-CE2 4.32Å; K62-Y302 WeakPolarHBondContact CB-OH 3.22Å; K62-Y302 HydrophobicContact CD-CD2 4.16Å; K62-Y302 HydrophobicContact CD-CE1 4.32Å; K62-Y302 HydrophobicContact CD-CE2 3.44Å; K62-Y302 VanDerWaalsContact CD-CE2 3.44Å; K62-E314 WeakPolarHBondContact CE-OE2 3.44Å; K62-E314 IonicContact NZ-OE2 2.93Å; K62-E314 PolarHBondContact NZ-OE2 2.91Å
63	M	85	Confident	79.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-132.8	148.2	175.2	-69.8	167.7	74.1	0	0	111	G67 H68 L69 I237 F254 L299 Y302 M303	M63-G67 WeakPolarHBondContact CE-O 3.45Å; M63-H68 CarbonylContact C-O 3.54Å; M63-H68 WeakPolarHBondContact CA-O 3.5Å; M63-H68 WeakPolarHBondContact CB-O 3.45Å; M63-L69 HydrophobicContact CG-CD2 3.8Å; M63-L69 HydrophobicContact SD-CD2 4.46Å; M63-I237 HydrophobicContact CE-CG2 3.9Å; M63-F254 HydrophobicContact CE-CE2 3.9Å; M63-F254 HydrophobicContact CE-CZ 4.19Å; M63-F254 HydrophobicContact SD-CE2 4.19Å; M63-F254 HydrophobicContact SD-CZ 4.19Å; M63-L299 HydrophobicContact SD-CD1 3.99Å; M63-Y302 HydrophobicContact CG-CE1 3.85Å; M63-Y302 HydrophobicContact SD-CD1 4.19Å; M63-Y302 HydrophobicContact SD-CE1 3.6Å; M63-Y302 VanDerWaalsContact SD-CE1 3.6Å; M63-M303 HydrophobicContact CB-CE 3.97Å; M63-M303 HydrophobicContact CB-SD 3.63Å; M63-M303 HydrophobicContact CG-SD 4.24Å; M63-M303 WeakPolarHBondContact O-CE 3.22Å; M63-M303 HydrophobicContact SD-SD 4.45Å
64	E	83.5	Confident	79.9	Confident	25 Å²	25	41.3 Å²	41.3	12%	0.117	21%	0.211	C	C	.	.			trans	-81.7	169	173.2	-53.3	-57.8	166.3	0	0	111.3	H57 L58 D66 G67 H68	H57-E64 WeakPolarHBondContact CA-OE2 3.43Å; H57-E64 IonicContact CE1-OE1 2.77Å; H57-E64 PolarHBondContact CE1-OE1 3.02Å; H57-E64 IonicContact CG-OE1 3.34Å; H57-E64 IonicContact ND1-OE1 3.83Å; H57-E64 PolarHBondContact ND1-OE1 3.44Å; H57-E64 IonicContact ND1-OE2 3.05Å; L58-E64 PolarHBondContact N-OE2 3.45Å; L58-E64 VanDerWaalsContact N-OE2 3.13Å; E64-D66 WeakPolarHBondContact CB-OD1 3.38Å; E64-D66 PolarHBondContact O-N 3.41Å; E64-D66 VanDerWaalsContact O-N 3.16Å; E64-G67 PolarHBondContact O-N 3.35Å; E64-H68 PolarHBondContact N-O 2.99Å
65	M	75.2	Confident	80.6	Confident	37 Å²	37	41.8 Å²	41.8	18%	0.182	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.5	177.6	-73	-65.2	-43	0	0	114.3	L58 G67 M233	L58-M65 HydrophobicContact CD1-CG 3.98Å; L58-M65 HydrophobicContact CD1-SD 4.08Å; M65-G67 VanDerWaalsContact C-N 3.29Å; M65-M233 HydrophobicContact CE-CB 4.17Å; M65-M233 HydrophobicContact CE-CG 3.92Å; M65-M233 HydrophobicContact CG-CE 4.33Å; M65-M233 HydrophobicContact SD-CB 3.93Å; M65-M233 HydrophobicContact SD-CE 3.5Å; M65-M233 WeakPolarHBondContact SD-CE 3.35Å; M65-M233 HydrophobicContact SD-CG 3.33Å; M65-M233 WeakPolarHBondContact SD-CG 3.2Å; M65-M233 HydrophobicContact SD-SD 3.57Å
66	D	72.8	Confident	81.4	Confident	37 Å²	37	39.8 Å²	39.8	20%	0.198	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	0.9	-178.9	64.9	7	0	0	0	113.2	S37 E64 H68	S37-D66 PolarHBondContact OG-OD2 3.34Å; E64-D66 WeakPolarHBondContact CB-OD1 3.38Å; E64-D66 PolarHBondContact O-N 3.41Å; E64-D66 VanDerWaalsContact O-N 3.16Å; D66-H68 WeakPolarHBondContact OD1-CB 3.19Å; D66-H68 IonicContact OD1-CG 3.81Å; D66-H68 PolarHBondContact OD1-N 3.21Å; D66-H68 IonicContact OD1-ND1 3.71Å; D66-H68 PolarHBondContact OD1-ND1 3.25Å; D66-H68 IonicContact OD2-CE1 3.97Å; D66-H68 IonicContact OD2-CG 2.92Å; D66-H68 IonicContact OD2-ND1 3.69Å; D66-H68 PolarHBondContact OD2-ND1 3.11Å
67	G	77	Confident	82.5	Confident	3 Å²	3	32.3 Å²	32.3	3%	0.031	16%	0.158	C	C	.	.	S	Bend	trans	85.7	3.3	-179.9	0	0	0	0	0	115.1	M63 E64 M65 R278	M63-G67 WeakPolarHBondContact CE-O 3.45Å; E64-G67 PolarHBondContact O-N 3.35Å; M65-G67 VanDerWaalsContact C-N 3.29Å; G67-R278 PolarHBondContact O-NH1 2.9Å; G67-R278 PolarHBondContact O-NH2 2.97Å
68	H	81.3	Confident	83.2	Confident	57 Å²	57	29.4 Å²	29.4	26%	0.264	15%	0.145	S	C	.	.			trans	-70.2	150.1	170.9	-68.8	108.1	0	0	0	111.4	M63 E64 D66	M63-H68 CarbonylContact C-O 3.54Å; M63-H68 WeakPolarHBondContact CA-O 3.5Å; M63-H68 WeakPolarHBondContact CB-O 3.45Å; E64-H68 PolarHBondContact N-O 2.99Å; D66-H68 WeakPolarHBondContact OD1-CB 3.19Å; D66-H68 IonicContact OD1-CG 3.81Å; D66-H68 PolarHBondContact OD1-N 3.21Å; D66-H68 IonicContact OD1-ND1 3.71Å; D66-H68 PolarHBondContact OD1-ND1 3.25Å; D66-H68 IonicContact OD2-CE1 3.97Å; D66-H68 IonicContact OD2-CG 2.92Å; D66-H68 IonicContact OD2-ND1 3.69Å; D66-H68 PolarHBondContact OD2-ND1 3.11Å
69	L	82.8	Confident	83.7	Confident	35 Å²	35	29.5 Å²	29.5	18%	0.183	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-73.6	135.3	171.4	-68.7	177.2	0	0	0	109.2	M63 K71 R278 E281	M63-L69 HydrophobicContact CG-CD2 3.8Å; M63-L69 HydrophobicContact SD-CD2 4.46Å; L69-K71 PolarHBondContact O-N 3.16Å; L69-R278 HydrophobicContact CD1-CG 3.63Å; L69-R278 HydrophobicContact CG-CG 4.11Å; L69-E281 HydrophobicContact CD1-CG 4.2Å
70	N	85.4	Confident	84.2	Confident	15 Å²	15	27 Å²	27	8%	0.08	14%	0.137	C	C	.	.			trans	-72.2	115	171.5	177	-2.3	0	0	0	109.2	H57 L61 K62 D72 F73 E76	H57-N70 VanDerWaalsContact CE1-CG 3.44Å; H57-N70 PolarHBondContact CE1-ND2 3.36Å; H57-N70 PolarHBondContact CE1-OD1 3.39Å; L61-N70 WeakPolarHBondContact O-CB 3.42Å; L61-N70 PolarHBondContact O-ND2 3.13Å; K62-N70 PolarHBondContact O-N 3.02Å; N70-D72 PolarHBondContact OD1-N 2.79Å; N70-F73 HydrophobicContact CB-CB 4.05Å; N70-F73 PolarHBondContact OD1-N 3.12Å; N70-E76 PolarHBondContact ND2-OE1 3.48Å; N70-E76 PolarHBondContact ND2-OE2 2.85Å; N70-E76 PolarHBondContact OD1-OE1 2.84Å
71	K	82.6	Confident	84.3	Confident	162 Å²	162	31.8 Å²	31.8	70%	0.704	16%	0.155	S	C	*	.	S	Bend	trans	-76.4	-29.2	-179.4	-66.2	-177.7	179.9	179	0	113	L69 H74	L69-K71 PolarHBondContact O-N 3.16Å; K71-H74 PolarHBondContact O-CE1 3.37Å; K71-H74 PolarHBondContact O-ND1 3.35Å
72	D	85.2	Confident	84.1	Confident	61 Å²	61	32.7 Å²	32.7	33%	0.326	16%	0.16	S	C	.	.	S	Bend	trans	-93.7	-4	-175.7	-62.8	-30.4	0	0	0	111.7	N70 H74 Q75 E76 M83	N70-D72 PolarHBondContact OD1-N 2.79Å; D72-H74 VanDerWaalsContact C-N 3.3Å; D72-H74 PolarHBondContact O-N 3.26Å; D72-H74 VanDerWaalsContact O-N 3.1Å; D72-Q75 CarbonylContact O-C 3.6Å; D72-Q75 WeakPolarHBondContact O-CA 3.44Å; D72-Q75 VanDerWaalsContact O-CB 3.3Å; D72-Q75 WeakPolarHBondContact O-CB 3.36Å; D72-Q75 PolarHBondContact O-N 3.09Å; D72-E76 WeakPolarHBondContact CB-OE1 3.43Å; D72-E76 PolarHBondContact O-N 2.97Å; D72-M83 HydrophobicContact CB-CE 4.27Å
73	F	87.9	Confident	83.9	Confident	23 Å²	23	33.6 Å²	33.6	10%	0.101	17%	0.165	C	C	.	.	H	α-helix	trans	-43.2	-51.5	-179.5	176.5	-102.3	0	0	0	113.7	G60 L61 K62 N70 Q75 E76 V77 E314	G60-F73 WeakPolarHBondContact O-CE2 3.46Å; L61-F73 VanDerWaalsContact C-CD2 3.45Å; L61-F73 WeakPolarHBondContact O-CD2 3.35Å; K62-F73 HydrophobicContact CD-CE1 4.13Å; K62-F73 HydrophobicContact CD-CZ 4.24Å; K62-F73 HydrophobicContact CG-CD1 3.88Å; K62-F73 HydrophobicContact CG-CD2 3.89Å; K62-F73 HydrophobicContact CG-CE1 3.64Å; K62-F73 HydrophobicContact CG-CE2 3.62Å; K62-F73 HydrophobicContact CG-CG 4.01Å; K62-F73 HydrophobicContact CG-CZ 3.49Å; K62-F73 VanDerWaalsContact CG-CZ 3.49Å; N70-F73 HydrophobicContact CB-CB 4.05Å; N70-F73 PolarHBondContact OD1-N 3.12Å; F73-Q75 VanDerWaalsContact C-N 3.27Å; F73-Q75 PolarHBondContact O-N 3.36Å; F73-E76 PolarHBondContact N-OE1 3.28Å; F73-E76 PolarHBondContact O-N 3.3Å; F73-V77 HydrophobicContact CD2-CG1 4.09Å; F73-V77 HydrophobicContact CE1-CG1 4.19Å; F73-V77 HydrophobicContact CE1-CG2 4.3Å; F73-V77 HydrophobicContact CE2-CG1 3.62Å; F73-V77 HydrophobicContact CZ-CG1 3.67Å; F73-V77 WeakPolarHBondContact O-CG2 3.4Å; F73-V77 PolarHBondContact O-N 3.48Å; F73-E314 HydrophobicContact CD1-CG 4.43Å; F73-E314 HydrophobicContact CE1-CG 3.74Å; F73-E314 WeakPolarHBondContact CE1-OE2 3.44Å
74	H	87.6	Confident	83.5	Confident	30 Å²	30	38.8 Å²	38.8	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-30.2	-178.2	61.6	-82.9	0	0	0	112.6	K71 D72 F78 M318 Y341	K71-H74 PolarHBondContact O-CE1 3.37Å; K71-H74 PolarHBondContact O-ND1 3.35Å; D72-H74 VanDerWaalsContact C-N 3.3Å; D72-H74 PolarHBondContact O-N 3.26Å; D72-H74 VanDerWaalsContact O-N 3.1Å; H74-F78 WeakPolarHBondContact O-CB 3.18Å; H74-F78 PolarHBondContact O-N 3.22Å; H74-M318 HydrophobicContact CB-CG 4.5Å; H74-Y341 AromaticContact CD2-CD2 3.91Å; H74-Y341 AromaticContact CD2-CE1 3.78Å; H74-Y341 AromaticContact CD2-CE2 3.63Å; H74-Y341 AromaticContact CD2-CZ 3.56Å; H74-Y341 PolarHBondContact CD2-O 2.97Å; H74-Y341 AromaticContact CG-CZ 3.87Å; H74-Y341 AromaticContact NE2-CD2 3.6Å; H74-Y341 AromaticContact NE2-CE2 3.56Å; H74-Y341 PolarHBondContact NE2-O 3.04Å
75	Q	89.7	Confident	83.3	Confident	22 Å²	22	41.9 Å²	41.9	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-75.8	-43.2	174.8	-57.4	173	16.1	0	0	110.4	D72 F73 F78 L79 M83 Y341	D72-Q75 CarbonylContact O-C 3.6Å; D72-Q75 WeakPolarHBondContact O-CA 3.44Å; D72-Q75 VanDerWaalsContact O-CB 3.3Å; D72-Q75 WeakPolarHBondContact O-CB 3.36Å; D72-Q75 PolarHBondContact O-N 3.09Å; F73-Q75 VanDerWaalsContact C-N 3.27Å; F73-Q75 PolarHBondContact O-N 3.36Å; Q75-F78 PolarHBondContact O-N 2.9Å; Q75-L79 WeakPolarHBondContact O-CB 3.2Å; Q75-L79 WeakPolarHBondContact O-CG 3.32Å; Q75-L79 PolarHBondContact O-N 3.37Å; Q75-M83 HydrophobicContact CB-CE 4.36Å; Q75-Y341 WeakPolarHBondContact CG-O 3.34Å
76	E	89.1	Confident	83.3	Confident	11 Å²	11	40.4 Å²	40.4	5%	0.051	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-49.4	177.4	-68.2	155.8	-131.9	0	0	111.6	H57 N59 G60 N70 D72 F73 F78 G80 M83	H57-E76 IonicContact CE1-OE1 3.75Å; H57-E76 PolarHBondContact CE1-OE1 3.45Å; H57-E76 IonicContact CE1-OE2 3.05Å; H57-E76 VanDerWaalsContact NE2-CD 3.3Å; H57-E76 IonicContact NE2-OE1 3.26Å; H57-E76 PolarHBondContact NE2-OE1 2.98Å; H57-E76 IonicContact NE2-OE2 3.26Å; N59-E76 VanDerWaalsContact CA-OE2 3.28Å; N59-E76 WeakPolarHBondContact CA-OE2 3.35Å; G60-E76 PolarHBondContact N-OE2 3.17Å; N70-E76 PolarHBondContact ND2-OE1 3.48Å; N70-E76 PolarHBondContact ND2-OE2 2.85Å; N70-E76 PolarHBondContact OD1-OE1 2.84Å; D72-E76 WeakPolarHBondContact CB-OE1 3.43Å; D72-E76 PolarHBondContact O-N 2.97Å; F73-E76 PolarHBondContact N-OE1 3.28Å; F73-E76 PolarHBondContact O-N 3.3Å; E76-F78 PolarHBondContact O-N 2.92Å; E76-G80 WeakPolarHBondContact O-CA 3.24Å; E76-G80 PolarHBondContact O-N 3.28Å; E76-M83 HydrophobicContact CG-SD 3.97Å
77	V	89.8	Confident	83.3	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.03	21%	0.212	C	C	.	.	H	α-helix	trans	-72.1	-19.2	-179.9	-58.3	0	0	0	0	112.9	F73 I123 K126 E314	F73-V77 HydrophobicContact CD2-CG1 4.09Å; F73-V77 HydrophobicContact CE1-CG1 4.19Å; F73-V77 HydrophobicContact CE1-CG2 4.3Å; F73-V77 HydrophobicContact CE2-CG1 3.62Å; F73-V77 HydrophobicContact CZ-CG1 3.67Å; F73-V77 WeakPolarHBondContact O-CG2 3.4Å; F73-V77 PolarHBondContact O-N 3.48Å; V77-I123 HydrophobicContact CB-CG1 4.45Å; V77-I123 HydrophobicContact CB-CG2 3.86Å; V77-I123 HydrophobicContact CG1-CG2 4.36Å; V77-I123 HydrophobicContact CG2-CD1 4.45Å; V77-I123 HydrophobicContact CG2-CG1 4.11Å; V77-I123 HydrophobicContact CG2-CG2 4.09Å; V77-K126 WeakPolarHBondContact O-CB 3.31Å; V77-E314 HydrophobicContact CG2-CG 4.38Å
78	F	90.1	Very high	83.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-86.7	-44.6	177.1	-178	-106.8	0	0	0	112.8	H74 Q75 E76 L99 I102 M119 W122 M318 I335 F342	H74-F78 WeakPolarHBondContact O-CB 3.18Å; H74-F78 PolarHBondContact O-N 3.22Å; Q75-F78 PolarHBondContact O-N 2.9Å; E76-F78 PolarHBondContact O-N 2.92Å; F78-L99 HydrophobicContact CE1-CD1 3.61Å; F78-L99 HydrophobicContact CZ-CD1 3.91Å; F78-I102 HydrophobicContact CE1-CG2 4.03Å; F78-I102 HydrophobicContact CE2-CG2 4.03Å; F78-I102 HydrophobicContact CZ-CG2 3.53Å; F78-M119 HydrophobicContact CD2-CE 4.34Å; F78-M119 HydrophobicContact CD2-SD 3.97Å; F78-M119 HydrophobicContact CE2-CE 4.05Å; F78-M119 HydrophobicContact CE2-SD 4.12Å; F78-W122 AromaticContact CD2-NE1 3.93Å; F78-W122 PolarHBondContact O-NE1 3.1Å; F78-M318 HydrophobicContact CB-CE 3.93Å; F78-M318 HydrophobicContact CD2-CE 3.61Å; F78-M318 HydrophobicContact CE2-CE 4.47Å; F78-M318 HydrophobicContact CG-CE 3.98Å; F78-I335 HydrophobicContact CE1-CD1 4.48Å; F78-I335 HydrophobicContact CE2-CD1 4.14Å; F78-I335 HydrophobicContact CZ-CD1 3.59Å; F78-F342 HydrophobicContact CD1-CB 3.85Å; F78-F342 AromaticContact CD1-CD1 3.98Å; F78-F342 HydrophobicContact CD1-CD1 3.98Å; F78-F342 HydrophobicContact CD1-CG 4.39Å; F78-F342 HydrophobicContact CD2-CD1 4.09Å; F78-F342 HydrophobicContact CE1-CB 3.79Å; F78-F342 HydrophobicContact CE1-CD1 4.02Å; F78-F342 HydrophobicContact CE1-CG 4.26Å; F78-F342 HydrophobicContact CE2-CD1 4.11Å; F78-F342 HydrophobicContact CG-CD1 4.03Å; F78-F342 HydrophobicContact CZ-CD1 4.09Å
79	L	88	Confident	82.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-93.1	-38.5	-176.6	-61	-178.9	0	0	0	112.4	Q75 K81 D82 M83 F86 I102 K126 T343	Q75-L79 WeakPolarHBondContact O-CB 3.2Å; Q75-L79 WeakPolarHBondContact O-CG 3.32Å; Q75-L79 PolarHBondContact O-N 3.37Å; L79-K81 PolarHBondContact O-N 3.38Å; L79-D82 HydrophobicContact CB-CB 4.41Å; L79-D82 WeakPolarHBondContact O-CB 3.3Å; L79-D82 PolarHBondContact O-N 3.34Å; L79-M83 HydrophobicContact CB-CB 4.06Å; L79-M83 HydrophobicContact CD1-CB 4.16Å; L79-M83 HydrophobicContact CD1-CG 4.28Å; L79-F86 HydrophobicContact CD1-CB 4.47Å; L79-F86 HydrophobicContact CD1-CD2 4.27Å; L79-F86 HydrophobicContact CD1-CG 4.37Å; L79-F86 HydrophobicContact CD2-CD2 4.14Å; L79-F86 HydrophobicContact CD2-CE2 3.88Å; L79-F86 HydrophobicContact CD2-CZ 4.24Å; L79-I102 HydrophobicContact CD2-CD1 3.65Å; L79-K126 WeakPolarHBondContact O-CE 3.37Å; L79-K126 PolarHBondContact O-NZ 3.46Å; L79-T343 HydrophobicContact CD2-CG2 4.4Å
80	G	86	Confident	81.8	Confident	20 Å²	20	53.9 Å²	53.9	21%	0.206	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	-132.6	-166.4	0	0	0	0	0	110.6	E76 D82 M83	E76-G80 WeakPolarHBondContact O-CA 3.24Å; E76-G80 PolarHBondContact O-N 3.28Å; G80-D82 PolarHBondContact O-N 3.49Å; G80-M83 WeakPolarHBondContact O-CB 3.4Å; G80-M83 PolarHBondContact O-N 2.88Å
81	K	80.6	Confident	81.3	Confident	109 Å²	109	57.8 Å²	57.8	47%	0.474	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-25.7	176	74.9	-170.7	-173.7	-176.9	0	115.8	L79 M83 E133	L79-K81 PolarHBondContact O-N 3.38Å; K81-M83 PolarHBondContact O-N 3.13Å; K81-E133 WeakPolarHBondContact CD-OE1 3.38Å
82	D	82.4	Confident	80.8	Confident	19 Å²	19	53 Å²	53	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-19	-178.5	-59.5	-50.9	0	0	0	109.9	L79 G80 E84 E85 F86 K126	L79-D82 HydrophobicContact CB-CB 4.41Å; L79-D82 WeakPolarHBondContact O-CB 3.3Å; L79-D82 PolarHBondContact O-N 3.34Å; G80-D82 PolarHBondContact O-N 3.49Å; D82-E84 PolarHBondContact O-N 2.86Å; D82-E85 WeakPolarHBondContact O-CB 3.42Å; D82-E85 PolarHBondContact O-N 3.07Å; D82-F86 HydrophobicContact CB-CD2 4.35Å; D82-F86 HydrophobicContact CB-CE2 4.3Å; D82-F86 VanDerWaalsContact O-CD2 3.28Å; D82-F86 WeakPolarHBondContact O-CD2 3.33Å; D82-F86 PolarHBondContact O-N 3.44Å; D82-K126 IonicContact OD2-NZ 2.69Å; D82-K126 PolarHBondContact OD2-NZ 3.25Å
83	M	80.2	Confident	80.5	Confident	33 Å²	33	57.5 Å²	57.5	16%	0.163	29%	0.286	C	S	.	.	H	α-helix	trans	-54.3	-47.1	179	-169.2	172.6	-175.3	0	0	113	D72 Q75 E76 L79 G80 K81 E85 F86 E87	D72-M83 HydrophobicContact CB-CE 4.27Å; Q75-M83 HydrophobicContact CB-CE 4.36Å; E76-M83 HydrophobicContact CG-SD 3.97Å; L79-M83 HydrophobicContact CB-CB 4.06Å; L79-M83 HydrophobicContact CD1-CB 4.16Å; L79-M83 HydrophobicContact CD1-CG 4.28Å; G80-M83 WeakPolarHBondContact O-CB 3.4Å; G80-M83 PolarHBondContact O-N 2.88Å; K81-M83 PolarHBondContact O-N 3.13Å; M83-E85 VanDerWaalsContact C-N 3.25Å; M83-E85 PolarHBondContact O-N 3.16Å; M83-F86 PolarHBondContact O-N 3.13Å; M83-F86 VanDerWaalsContact O-N 3.12Å; M83-E87 PolarHBondContact O-N 3.01Å
84	E	77	Confident	80.2	Confident	109 Å²	109	62.1 Å²	62.1	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-57	-42.7	176.2	-67.7	-168.1	167.7	0	0	110.8	K47 D82 F86 E87 E88	K47-E84 IonicContact NZ-OE1 3.6Å; K47-E84 PolarHBondContact NZ-OE1 3.45Å; K47-E84 IonicContact NZ-OE2 3.4Å; K47-E84 PolarHBondContact NZ-OE2 3.2Å; D82-E84 PolarHBondContact O-N 2.86Å; E84-F86 VanDerWaalsContact C-N 3.32Å; E84-F86 PolarHBondContact O-N 3.04Å; E84-E87 PolarHBondContact O-N 3.11Å; E84-E88 WeakPolarHBondContact O-CG 3.31Å; E84-E88 PolarHBondContact O-N 3.04Å
85	E	77.9	Confident	79.9	Confident	91 Å²	91	61 Å²	61	43%	0.425	30%	0.297	S	S	.	.	H	α-helix	trans	-71.4	-26	-178.7	-47.3	-169.1	173.9	0	0	113.6	D82 M83 D89 K98	D82-E85 WeakPolarHBondContact O-CB 3.42Å; D82-E85 PolarHBondContact O-N 3.07Å; M83-E85 VanDerWaalsContact C-N 3.25Å; M83-E85 PolarHBondContact O-N 3.16Å; E85-D89 WeakPolarHBondContact O-CB 3.04Å; E85-D89 PolarHBondContact O-N 2.9Å; E85-D89 VanDerWaalsContact O-N 3.14Å; E85-K98 PolarHBondContact O-NZ 2.91Å; E85-K98 IonicContact OE2-NZ 3.83Å; E85-K98 PolarHBondContact OE2-NZ 3.36Å
86	F	76.8	Confident	79.6	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-76.1	-33.2	174.4	-88.3	-97.5	0	0	0	111.5	L79 D82 M83 E84 N95 K98 L99 I102 T343	L79-F86 HydrophobicContact CD1-CB 4.47Å; L79-F86 HydrophobicContact CD1-CD2 4.27Å; L79-F86 HydrophobicContact CD1-CG 4.37Å; L79-F86 HydrophobicContact CD2-CD2 4.14Å; L79-F86 HydrophobicContact CD2-CE2 3.88Å; L79-F86 HydrophobicContact CD2-CZ 4.24Å; D82-F86 HydrophobicContact CB-CD2 4.35Å; D82-F86 HydrophobicContact CB-CE2 4.3Å; D82-F86 VanDerWaalsContact O-CD2 3.28Å; D82-F86 WeakPolarHBondContact O-CD2 3.33Å; D82-F86 PolarHBondContact O-N 3.44Å; M83-F86 PolarHBondContact O-N 3.13Å; M83-F86 VanDerWaalsContact O-N 3.12Å; E84-F86 VanDerWaalsContact C-N 3.32Å; E84-F86 PolarHBondContact O-N 3.04Å; F86-N95 HydrophobicContact CD1-CB 3.71Å; F86-N95 HydrophobicContact CE1-CB 3.78Å; F86-N95 WeakPolarHBondContact CE1-O 3.43Å; F86-N95 PolarHBondContact O-ND2 2.93Å; F86-N95 VanDerWaalsContact O-ND2 3.15Å; F86-K98 HydrophobicContact CD2-CD 4.29Å; F86-K98 HydrophobicContact CE1-CB 4.13Å; F86-K98 HydrophobicContact CE2-CB 3.7Å; F86-K98 HydrophobicContact CE2-CD 4Å; F86-K98 HydrophobicContact CZ-CB 3.36Å; F86-K98 HydrophobicContact CZ-CD 4.3Å; F86-K98 HydrophobicContact CZ-CG 4.47Å; F86-L99 HydrophobicContact CE1-CB 4.43Å; F86-L99 HydrophobicContact CZ-CB 4.37Å; F86-I102 HydrophobicContact CE2-CD1 3.79Å; F86-I102 HydrophobicContact CZ-CD1 3.98Å; F86-T343 HydrophobicContact CD1-CG2 3.88Å; F86-T343 HydrophobicContact CE1-CG2 3.68Å; F86-T343 HydrophobicContact CZ-CG2 4.37Å
87	E	72.4	Confident	79.5	Confident	115 Å²	115	72.6 Å²	72.6	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-70.3	-40.5	172.9	-68.1	-167.8	-177.6	0	0	111.9	K42 M83 E84	K42-E87 VanDerWaalsContact NZ-CD 3.26Å; K42-E87 IonicContact NZ-OE1 3.33Å; K42-E87 PolarHBondContact NZ-OE1 3.34Å; K42-E87 IonicContact NZ-OE2 2.79Å; K42-E87 PolarHBondContact NZ-OE2 3.24Å; M83-E87 PolarHBondContact O-N 3.01Å; E84-E87 PolarHBondContact O-N 3.11Å
88	E	71.8	Confident	79.3	Confident	151 Å²	151	74 Å²	74	71%	0.706	35%	0.349	S	S	*	.	H	α-helix	trans	-70	-43.1	178.5	-73.6	-175.4	177	0	0	113	E84 S90	E84-E88 WeakPolarHBondContact O-CG 3.31Å; E84-E88 PolarHBondContact O-N 3.04Å; E88-S90 PolarHBondContact O-N 3.05Å
89	D	71.1	Confident	79.2	Confident	36 Å²	36	74 Å²	74	19%	0.193	35%	0.349	C	S	.	.			trans	-78.7	90.5	-179.9	-85.9	-40.7	0	0	0	110.7	E85 E91 R94 N95 K98	E85-D89 WeakPolarHBondContact O-CB 3.04Å; E85-D89 PolarHBondContact O-N 2.9Å; E85-D89 VanDerWaalsContact O-N 3.14Å; D89-E91 PolarHBondContact O-N 3.42Å; D89-E91 VanDerWaalsContact O-N 3.11Å; D89-R94 IonicContact OD1-NH1 2.7Å; D89-R94 PolarHBondContact OD1-NH1 3.5Å; D89-N95 WeakPolarHBondContact CB-OD1 3.37Å; D89-N95 PolarHBondContact O-ND2 3.03Å; D89-N95 PolarHBondContact O-OD1 3.11Å; D89-K98 WeakPolarHBondContact OD2-CE 3.15Å; D89-K98 IonicContact OD2-NZ 2.76Å; D89-K98 PolarHBondContact OD2-NZ 2.89Å
90	S	66.9	Low	79.3	Confident	112 Å²	112	76.8 Å²	76.8	78%	0.783	36%	0.364	S	S	*	.			trans	-68.6	-1.9	172.4	47.7	0	0	0	0	114.6	E88 P92	E88-S90 PolarHBondContact O-N 3.05Å; S90-P92 VanDerWaalsContact O-CD 3.31Å; S90-P92 WeakPolarHBondContact O-CD 3.17Å
91	E	73.6	Confident	79.5	Confident	97 Å²	97	81.5 Å²	81.5	45%	0.453	38%	0.38	S	S	.	.			trans	-87.2	111.7	178.8	-74.7	-171.3	-176	0	0	112.1	D89 R93 R94 N95	D89-E91 PolarHBondContact O-N 3.42Å; D89-E91 VanDerWaalsContact O-N 3.11Å; E91-R93 PolarHBondContact O-N 2.91Å; E91-R94 HydrophobicContact CB-CB 4.33Å; E91-R94 HydrophobicContact CB-CG 4.02Å; E91-R94 PolarHBondContact O-N 2.84Å; E91-R94 IonicContact OE1-NH2 2.85Å; E91-R94 WeakPolarHBondContact OE2-CD 3.5Å; E91-R94 WeakPolarHBondContact OE2-CG 3.24Å; E91-R94 IonicContact OE2-CZ 3.44Å; E91-R94 IonicContact OE2-NE 3.03Å; E91-R94 PolarHBondContact OE2-NE 3.15Å; E91-R94 IonicContact OE2-NH2 3.75Å; E91-N95 PolarHBondContact O-N 2.71Å
92	P	73.4	Confident	80	Confident	63 Å²	63	76.5 Å²	76.5	41%	0.409	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-26.8	-176.5	-24.9	34.9	0	0	0	113.9	S90 R96	S90-P92 VanDerWaalsContact O-CD 3.31Å; S90-P92 WeakPolarHBondContact O-CD 3.17Å; P92-R96 WeakPolarHBondContact O-CB 3.33Å; P92-R96 PolarHBondContact O-N 3Å
93	R	78.1	Confident	80.4	Confident	154 Å²	154	76.2 Å²	76.2	58%	0.581	36%	0.356	S	S	*	.	H	α-helix	trans	-70.6	-32.6	177.8	-72.3	-179.7	172.5	-177.9	-4.5	112.9	E91 K97 Y350	E91-R93 PolarHBondContact O-N 2.91Å; R93-K97 WeakPolarHBondContact O-CG 3.38Å; R93-K97 PolarHBondContact O-N 2.84Å; R93-Y350 PolarHBondContact NH2-OH 3.28Å
94	R	80.9	Confident	81	Confident	121 Å²	121	77.7 Å²	77.7	46%	0.457	37%	0.374	S	S	.	.	H	α-helix	trans	-75.5	-49.8	177.4	-67.2	-173.8	-172.8	-166.3	0.8	109.8	D89 E91 R96 K97 K98	D89-R94 IonicContact OD1-NH1 2.7Å; D89-R94 PolarHBondContact OD1-NH1 3.5Å; E91-R94 HydrophobicContact CB-CB 4.33Å; E91-R94 HydrophobicContact CB-CG 4.02Å; E91-R94 PolarHBondContact O-N 2.84Å; E91-R94 IonicContact OE1-NH2 2.85Å; E91-R94 WeakPolarHBondContact OE2-CD 3.5Å; E91-R94 WeakPolarHBondContact OE2-CG 3.24Å; E91-R94 IonicContact OE2-CZ 3.44Å; E91-R94 IonicContact OE2-NE 3.03Å; E91-R94 PolarHBondContact OE2-NE 3.15Å; E91-R94 IonicContact OE2-NH2 3.75Å; R94-R96 PolarHBondContact O-N 3.16Å; R94-K97 WeakPolarHBondContact O-CA 3.39Å; R94-K97 WeakPolarHBondContact O-CB 3.26Å; R94-K97 PolarHBondContact O-N 3.11Å; R94-K98 PolarHBondContact O-N 2.98Å
95	N	81.4	Confident	81.7	Confident	6 Å²	6	78 Å²	78	3%	0.032	37%	0.373	C	S	.	.	H	α-helix	trans	-59.9	-36.9	177.4	-67	5.5	0	0	0	111.4	F86 D89 E91 K97 K98 L99 L347	F86-N95 HydrophobicContact CD1-CB 3.71Å; F86-N95 HydrophobicContact CE1-CB 3.78Å; F86-N95 WeakPolarHBondContact CE1-O 3.43Å; F86-N95 PolarHBondContact O-ND2 2.93Å; F86-N95 VanDerWaalsContact O-ND2 3.15Å; D89-N95 WeakPolarHBondContact CB-OD1 3.37Å; D89-N95 PolarHBondContact O-ND2 3.03Å; D89-N95 PolarHBondContact O-OD1 3.11Å; E91-N95 PolarHBondContact O-N 2.71Å; N95-K97 PolarHBondContact O-N 2.83Å; N95-K98 PolarHBondContact O-N 2.64Å; N95-L99 WeakPolarHBondContact O-CB 3.38Å; N95-L99 PolarHBondContact O-N 2.96Å; N95-L347 HydrophobicContact CB-CD1 4.25Å; N95-L347 HydrophobicContact CB-CD2 3.32Å; N95-L347 HydrophobicContact CB-CG 4.44Å
96	R	84.1	Confident	82.4	Confident	135 Å²	135	73.8 Å²	73.8	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-43.9	170.7	-177	175.8	-177.9	-140.1	-0.2	112.9	P92 R94 L99 I100 L336	P92-R96 WeakPolarHBondContact O-CB 3.33Å; P92-R96 PolarHBondContact O-N 3Å; R94-R96 PolarHBondContact O-N 3.16Å; R96-L99 PolarHBondContact O-N 3.44Å; R96-I100 HydrophobicContact CG-CD1 4.07Å; R96-I100 WeakPolarHBondContact O-CD1 3.46Å; R96-I100 VanDerWaalsContact O-CG1 3.22Å; R96-I100 WeakPolarHBondContact O-CG1 3.3Å; R96-I100 PolarHBondContact O-N 3.02Å; R96-I100 VanDerWaalsContact O-N 3.07Å; R96-L336 HydrophobicContact CG-CD2 3.83Å
97	K	86.6	Confident	83.2	Confident	142 Å²	142	74 Å²	74	62%	0.617	36%	0.356	S	S	*	.	H	α-helix	trans	-65.4	-44.2	177.2	-74.9	178.5	178.9	-176.9	0	111.4	R93 R94 N95 L99 I100 E101	R93-K97 WeakPolarHBondContact O-CG 3.38Å; R93-K97 PolarHBondContact O-N 2.84Å; R94-K97 WeakPolarHBondContact O-CA 3.39Å; R94-K97 WeakPolarHBondContact O-CB 3.26Å; R94-K97 PolarHBondContact O-N 3.11Å; N95-K97 PolarHBondContact O-N 2.83Å; K97-L99 VanDerWaalsContact C-N 3.32Å; K97-L99 PolarHBondContact O-N 3.49Å; K97-I100 WeakPolarHBondContact O-CB 3.28Å; K97-I100 PolarHBondContact O-N 3.3Å; K97-E101 WeakPolarHBondContact O-CG 3.41Å; K97-E101 PolarHBondContact O-N 3.16Å
98	K	87.1	Confident	84.2	Confident	33 Å²	33	73.3 Å²	73.3	14%	0.143	36%	0.359	C	S	.	.	H	α-helix	trans	-58.3	-44.4	175.5	-65.6	-174.5	-172.7	-171	0	111.4	E85 F86 D89 R94 N95 I100 E101 I102	E85-K98 PolarHBondContact O-NZ 2.91Å; E85-K98 IonicContact OE2-NZ 3.83Å; E85-K98 PolarHBondContact OE2-NZ 3.36Å; F86-K98 HydrophobicContact CD2-CD 4.29Å; F86-K98 HydrophobicContact CE1-CB 4.13Å; F86-K98 HydrophobicContact CE2-CB 3.7Å; F86-K98 HydrophobicContact CE2-CD 4Å; F86-K98 HydrophobicContact CZ-CB 3.36Å; F86-K98 HydrophobicContact CZ-CD 4.3Å; F86-K98 HydrophobicContact CZ-CG 4.47Å; D89-K98 WeakPolarHBondContact OD2-CE 3.15Å; D89-K98 IonicContact OD2-NZ 2.76Å; D89-K98 PolarHBondContact OD2-NZ 2.89Å; R94-K98 PolarHBondContact O-N 2.98Å; N95-K98 PolarHBondContact O-N 2.64Å; K98-I100 VanDerWaalsContact C-N 3.32Å; K98-I100 PolarHBondContact O-N 3.3Å; K98-E101 WeakPolarHBondContact O-CB 3.46Å; K98-E101 PolarHBondContact O-N 3.43Å; K98-E101 VanDerWaalsContact O-N 3.08Å; K98-I102 WeakPolarHBondContact O-CG1 3.3Å; K98-I102 PolarHBondContact O-N 2.87Å
99	L	86.9	Confident	85.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.3	-36.7	178	-170.7	57.7	0	0	0	112.3	F78 F86 N95 R96 K97 I102 F103 I335 L336 T343 L347	F78-L99 HydrophobicContact CE1-CD1 3.61Å; F78-L99 HydrophobicContact CZ-CD1 3.91Å; F86-L99 HydrophobicContact CE1-CB 4.43Å; F86-L99 HydrophobicContact CZ-CB 4.37Å; N95-L99 WeakPolarHBondContact O-CB 3.38Å; N95-L99 PolarHBondContact O-N 2.96Å; R96-L99 PolarHBondContact O-N 3.44Å; K97-L99 VanDerWaalsContact C-N 3.32Å; K97-L99 PolarHBondContact O-N 3.49Å; L99-I102 PolarHBondContact O-N 2.97Å; L99-F103 WeakPolarHBondContact O-CB 3.17Å; L99-F103 PolarHBondContact O-N 3.12Å; L99-I335 HydrophobicContact CD1-CD1 4.16Å; L99-I335 HydrophobicContact CD1-CG1 4.27Å; L99-L336 HydrophobicContact CB-CD2 4.49Å; L99-L336 HydrophobicContact CD2-CD2 3.98Å; L99-L336 HydrophobicContact CG-CD2 4.36Å; L99-T343 HydrophobicContact CD1-CG2 4.15Å; L99-T343 HydrophobicContact CD2-CG2 4.26Å; L99-L347 HydrophobicContact CB-CD1 4.35Å; L99-L347 HydrophobicContact CD2-CD1 3.72Å
100	I	89.9	Confident	86.2	Confident	60 Å²	60	76.6 Å²	76.6	31%	0.308	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-39.6	172	-66.8	161	0	0	0	111.2	R96 K97 K98 F103 A104 L332 L336	R96-I100 HydrophobicContact CG-CD1 4.07Å; R96-I100 WeakPolarHBondContact O-CD1 3.46Å; R96-I100 VanDerWaalsContact O-CG1 3.22Å; R96-I100 WeakPolarHBondContact O-CG1 3.3Å; R96-I100 PolarHBondContact O-N 3.02Å; R96-I100 VanDerWaalsContact O-N 3.07Å; K97-I100 WeakPolarHBondContact O-CB 3.28Å; K97-I100 PolarHBondContact O-N 3.3Å; K98-I100 VanDerWaalsContact C-N 3.32Å; K98-I100 PolarHBondContact O-N 3.3Å; I100-F103 PolarHBondContact O-N 3.33Å; I100-A104 PolarHBondContact O-N 2.99Å; I100-L332 HydrophobicContact CG1-CD1 4.07Å; I100-L336 HydrophobicContact CG1-CD2 4.33Å
101	E	90.8	Very high	87.4	Confident	119 Å²	119	74.6 Å²	74.6	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-66.4	-40.9	176.6	-71.8	174.1	-163.6	0	0	111.8	K97 K98 A104 K105	K97-E101 WeakPolarHBondContact O-CG 3.41Å; K97-E101 PolarHBondContact O-N 3.16Å; K98-E101 WeakPolarHBondContact O-CB 3.46Å; K98-E101 PolarHBondContact O-N 3.43Å; K98-E101 VanDerWaalsContact O-N 3.08Å; E101-A104 PolarHBondContact O-N 3.37Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 3.29Å; E101-K105 VanDerWaalsContact O-N 3.14Å
102	I	90.6	Very high	88.2	Confident	4 Å²	4	79.9 Å²	79.9	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-50.5	173	-69.2	170	0	0	0	109.8	F78 L79 F86 K98 L99 A104 K105 V106 W122	F78-I102 HydrophobicContact CE1-CG2 4.03Å; F78-I102 HydrophobicContact CE2-CG2 4.03Å; F78-I102 HydrophobicContact CZ-CG2 3.53Å; L79-I102 HydrophobicContact CD2-CD1 3.65Å; F86-I102 HydrophobicContact CE2-CD1 3.79Å; F86-I102 HydrophobicContact CZ-CD1 3.98Å; K98-I102 WeakPolarHBondContact O-CG1 3.3Å; K98-I102 PolarHBondContact O-N 2.87Å; L99-I102 PolarHBondContact O-N 2.97Å; I102-A104 PolarHBondContact O-N 3.07Å; I102-K105 WeakPolarHBondContact O-CA 3.03Å; I102-K105 WeakPolarHBondContact O-CB 3.21Å; I102-K105 PolarHBondContact O-N 3.02Å; I102-V106 HydrophobicContact CG2-CG2 4.08Å; I102-V106 VanDerWaalsContact O-CG2 3.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.26Å; I102-V106 PolarHBondContact O-N 3.26Å; I102-W122 HydrophobicContact CG2-CH2 4.49Å; I102-W122 HydrophobicContact CG2-CZ2 3.7Å
103	F	91.2	Very high	89.1	Confident	13 Å²	13	77.5 Å²	77.5	6%	0.057	35%	0.354	C	S	.	.	H	α-helix	trans	-52.9	-43.6	177.2	-177.9	-87.9	0	0	0	112.2	L99 I100 K105 V106 D107 R112 V114 L330 L332 I335	L99-F103 WeakPolarHBondContact O-CB 3.17Å; L99-F103 PolarHBondContact O-N 3.12Å; I100-F103 PolarHBondContact O-N 3.33Å; F103-K105 VanDerWaalsContact C-N 3.28Å; F103-K105 PolarHBondContact O-N 3.36Å; F103-V106 PolarHBondContact O-N 2.96Å; F103-D107 HydrophobicContact CE1-CB 4.38Å; F103-D107 WeakPolarHBondContact O-CB 3.38Å; F103-D107 PolarHBondContact O-N 2.87Å; F103-R112 WeakPolarHBondContact CZ-O 3.32Å; F103-V114 HydrophobicContact CD2-CG2 3.94Å; F103-V114 HydrophobicContact CE2-CB 4.5Å; F103-V114 HydrophobicContact CE2-CG2 3.66Å; F103-V114 HydrophobicContact CZ-CG2 4.14Å; F103-L330 WeakPolarHBondContact CE2-O 3.4Å; F103-L332 HydrophobicContact CB-CD1 3.9Å; F103-L332 HydrophobicContact CD1-CB 4.36Å; F103-L332 HydrophobicContact CD1-CD1 3.87Å; F103-L332 HydrophobicContact CD2-CD1 4.1Å; F103-L332 HydrophobicContact CE1-CB 4.09Å; F103-L332 HydrophobicContact CE1-CD1 4.45Å; F103-L332 HydrophobicContact CE2-CB 4.3Å; F103-L332 HydrophobicContact CG-CD1 3.68Å; F103-L332 HydrophobicContact CZ-CB 4.05Å; F103-I335 HydrophobicContact CD2-CD1 4.26Å; F103-I335 HydrophobicContact CD2-CG2 3.92Å
104	A	91.8	Very high	89.9	Confident	64 Å²	64	70.2 Å²	70.2	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-68.1	-23.5	177.9	0	0	0	0	0	114	I100 E101 I102	I100-A104 PolarHBondContact O-N 2.99Å; E101-A104 PolarHBondContact O-N 3.37Å; I102-A104 PolarHBondContact O-N 3.07Å
105	K	92.3	Very high	90.6	Very high	115 Å²	115	65.5 Å²	65.5	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-78.5	-38.5	171.6	-67.9	172.9	-174.9	174.4	0	111.4	E101 I102 F103 W122	E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 3.29Å; E101-K105 VanDerWaalsContact O-N 3.14Å; I102-K105 WeakPolarHBondContact O-CA 3.03Å; I102-K105 WeakPolarHBondContact O-CB 3.21Å; I102-K105 PolarHBondContact O-N 3.02Å; F103-K105 VanDerWaalsContact C-N 3.28Å; F103-K105 PolarHBondContact O-N 3.36Å; K105-W122 HydrophobicContact CB-CE3 4.48Å; K105-W122 HydrophobicContact CB-CH2 3.89Å; K105-W122 HydrophobicContact CB-CZ3 3.64Å; K105-W122 HydrophobicContact CD-CH2 3.84Å; K105-W122 HydrophobicContact CD-CZ3 4.2Å
106	V	93.3	Very high	91.2	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-70.6	-40	179.2	-171.2	0	0	0	0	111.6	I102 F103 V108 V114 E118 M119 W122	I102-V106 HydrophobicContact CG2-CG2 4.08Å; I102-V106 VanDerWaalsContact O-CG2 3.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.26Å; I102-V106 PolarHBondContact O-N 3.26Å; F103-V106 PolarHBondContact O-N 2.96Å; V106-V108 VanDerWaalsContact C-N 3.29Å; V106-V108 PolarHBondContact O-N 3.27Å; V106-V114 HydrophobicContact CB-CG2 4Å; V106-V114 HydrophobicContact CG1-CB 4.32Å; V106-V114 HydrophobicContact CG1-CG1 3.48Å; V106-V114 VanDerWaalsContact CG1-CG1 3.48Å; V106-V114 HydrophobicContact CG1-CG2 3.83Å; V106-E118 HydrophobicContact CG1-CB 4.4Å; V106-M119 HydrophobicContact CG1-SD 4.42Å; V106-W122 HydrophobicContact CB-CG 4.45Å; V106-W122 HydrophobicContact CG1-CB 3.93Å; V106-W122 HydrophobicContact CG1-CG 4.23Å; V106-W122 HydrophobicContact CG2-CB 4.18Å; V106-W122 HydrophobicContact CG2-CD2 3.49Å; V106-W122 VanDerWaalsContact CG2-CD2 3.49Å; V106-W122 HydrophobicContact CG2-CE3 3.96Å; V106-W122 HydrophobicContact CG2-CG 3.59Å; V106-W122 HydrophobicContact CG2-CZ2 4.3Å
107	D	93.5	Very high	91.8	Very high	11 Å²	11	67.4 Å²	67.4	6%	0.059	33%	0.328	C	S	.	.			trans	-74.2	77.6	176.2	-179.6	11.6	0	0	0	111.6	F103 N109 K110 D111 R112 V114	F103-D107 HydrophobicContact CE1-CB 4.38Å; F103-D107 WeakPolarHBondContact O-CB 3.38Å; F103-D107 PolarHBondContact O-N 2.87Å; D107-N109 VanDerWaalsContact C-N 3.33Å; D107-N109 PolarHBondContact O-N 2.95Å; D107-N109 PolarHBondContact OD1-OD1 2.76Å; D107-K110 PolarHBondContact O-N 3.19Å; D107-K110 WeakPolarHBondContact OD1-CA 3.42Å; D107-K110 PolarHBondContact OD1-N 3.18Å; D107-K110 VanDerWaalsContact OD2-CA 3.27Å; D107-K110 WeakPolarHBondContact OD2-CA 3.24Å; D107-D111 PolarHBondContact OD1-N 3.27Å; D107-D111 PolarHBondContact OD2-N 2.94Å; D107-R112 VanDerWaalsContact OD2-CA 3.24Å; D107-R112 WeakPolarHBondContact OD2-CA 3.43Å; D107-R112 PolarHBondContact OD2-N 3.44Å; D107-V114 HydrophobicContact CB-CG2 4.31Å
108	V	92.3	Very high	92.2	Very high	100 Å²	100	61.6 Å²	61.6	61%	0.606	30%	0.303	S	S	*	.	S	Bend	trans	-63.8	-39.8	-178.6	178	0	0	0	0	111.4	V106 K110	V106-V108 VanDerWaalsContact C-N 3.29Å; V106-V108 PolarHBondContact O-N 3.27Å; V108-K110 VanDerWaalsContact C-N 3.33Å
109	N	92.4	Very high	92.6	Very high	85 Å²	85	60.1 Å²	60.1	46%	0.455	30%	0.297	S	S	.	.	S	Bend	trans	-82.8	-12.3	-175.1	79.9	34.1	0	0	0	113.1	D107 D111 E118	D107-N109 VanDerWaalsContact C-N 3.33Å; D107-N109 PolarHBondContact O-N 2.95Å; D107-N109 PolarHBondContact OD1-OD1 2.76Å; N109-D111 VanDerWaalsContact C-N 3.33Å; N109-D111 PolarHBondContact ND2-OD2 3.07Å; N109-D111 WeakPolarHBondContact OD1-CA 3.3Å; N109-D111 WeakPolarHBondContact OD1-CB 3.44Å; N109-D111 PolarHBondContact OD1-N 3.46Å; N109-D111 PolarHBondContact OD1-OD1 2.83Å; N109-D111 PolarHBondContact OD1-OD2 3.45Å; N109-E118 WeakPolarHBondContact CB-OE1 3.14Å; N109-E118 PolarHBondContact N-OE1 2.93Å; N109-E118 PolarHBondContact ND2-OE1 3.5Å
110	K	92.4	Very high	93	Very high	171 Å²	171	61.7 Å²	61.7	74%	0.743	30%	0.304	S	S	*	.			trans	64.1	30.3	178.8	-54.1	-176.4	-176.7	-178.5	0	114	D107 V108 R112	D107-K110 PolarHBondContact O-N 3.19Å; D107-K110 WeakPolarHBondContact OD1-CA 3.42Å; D107-K110 PolarHBondContact OD1-N 3.18Å; D107-K110 VanDerWaalsContact OD2-CA 3.27Å; D107-K110 WeakPolarHBondContact OD2-CA 3.24Å; V108-K110 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.04Å
111	D	91.9	Very high	93.2	Very high	71 Å²	71	64 Å²	64	38%	0.38	31%	0.314	S	S	.	.	S	Bend	trans	-80.8	1.2	176.5	73.3	19.4	0	0	0	112.8	D107 N109 S113 R329	D107-D111 PolarHBondContact OD1-N 3.27Å; D107-D111 PolarHBondContact OD2-N 2.94Å; N109-D111 VanDerWaalsContact C-N 3.33Å; N109-D111 PolarHBondContact ND2-OD2 3.07Å; N109-D111 WeakPolarHBondContact OD1-CA 3.3Å; N109-D111 WeakPolarHBondContact OD1-CB 3.44Å; N109-D111 PolarHBondContact OD1-N 3.46Å; N109-D111 PolarHBondContact OD1-OD1 2.83Å; N109-D111 PolarHBondContact OD1-OD2 3.45Å; D111-S113 VanDerWaalsContact CG-OG 3.32Å; D111-S113 PolarHBondContact O-N 3.06Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 WeakPolarHBondContact OD1-CB 3.49Å; D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 PolarHBondContact OD1-OG 3.49Å; D111-R329 IonicContact OD2-NH1 3.44Å; D111-R329 PolarHBondContact OD2-NH1 3.01Å
112	R	90.6	Very high	93.4	Very high	207 Å²	207	59 Å²	59	78%	0.781	29%	0.29	S	S	*	.	S	Bend	trans	67.2	19.1	-177.9	-51.4	178.6	177.7	-176.3	-2	113.6	F103 D107 K110	F103-R112 WeakPolarHBondContact CZ-O 3.32Å; D107-R112 VanDerWaalsContact OD2-CA 3.24Å; D107-R112 WeakPolarHBondContact OD2-CA 3.43Å; D107-R112 PolarHBondContact OD2-N 3.44Å; K110-R112 PolarHBondContact O-N 3.04Å
113	S	93.1	Very high	93.5	Very high	13 Å²	13	59 Å²	59	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.2	172.2	74	0	0	0	0	109.2	D111 R329 L330	D111-S113 VanDerWaalsContact CG-OG 3.32Å; D111-S113 PolarHBondContact O-N 3.06Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 WeakPolarHBondContact OD1-CB 3.49Å; D111-S113 PolarHBondContact OD1-N 2.92Å; D111-S113 PolarHBondContact OD1-OG 3.49Å; S113-R329 PolarHBondContact OG-NH1 3.36Å; S113-L330 CarbonylContact C-O 3.58Å; S113-L330 WeakPolarHBondContact CA-O 3.43Å
114	V	94.6	Very high	93.5	Very high	1 Å²	1	59 Å²	59	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.7	173.8	171.4	0	0	0	0	108.6	F103 V106 D107 E118 M119 R329 L330	F103-V114 HydrophobicContact CD2-CG2 3.94Å; F103-V114 HydrophobicContact CE2-CB 4.5Å; F103-V114 HydrophobicContact CE2-CG2 3.66Å; F103-V114 HydrophobicContact CZ-CG2 4.14Å; V106-V114 HydrophobicContact CB-CG2 4Å; V106-V114 HydrophobicContact CG1-CB 4.32Å; V106-V114 HydrophobicContact CG1-CG1 3.48Å; V106-V114 VanDerWaalsContact CG1-CG1 3.48Å; V106-V114 HydrophobicContact CG1-CG2 3.83Å; D107-V114 HydrophobicContact CB-CG2 4.31Å; V114-E118 HydrophobicContact CG1-CB 4.2Å; V114-M119 HydrophobicContact CG1-CB 3.92Å; V114-M119 HydrophobicContact CG1-CE 3.95Å; V114-R329 WeakPolarHBondContact O-CA 3.35Å; V114-L330 HydrophobicContact CB-CB 4.26Å; V114-L330 PolarHBondContact N-O 2.7Å; V114-L330 PolarHBondContact O-N 3.04Å
115	S	95.6	Very high	93.6	Very high	22 Å²	22	59.9 Å²	59.9	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	159.7	172	69	0	0	0	0	112	K117 E118 M119	S115-K117 PolarHBondContact O-N 3.05Å; S115-K117 VanDerWaalsContact O-N 3.09Å; S115-E118 WeakPolarHBondContact CB-OE2 3.32Å; S115-E118 PolarHBondContact N-OE2 2.9Å; S115-E118 PolarHBondContact O-N 2.97Å; S115-E118 PolarHBondContact OG-N 2.78Å; S115-E118 PolarHBondContact OG-OE2 2.77Å; S115-M119 PolarHBondContact O-N 2.79Å
116	A	95.1	Very high	93.5	Very high	21 Å²	21	54.8 Å²	54.8	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-29.5	175.7	0	0	0	0	0	113.6	Q120 L312 A315 K316 I319	A116-Q120 VanDerWaalsContact O-CB 3.23Å; A116-Q120 WeakPolarHBondContact O-CB 3.26Å; A116-Q120 PolarHBondContact O-N 3.27Å; A116-L312 HydrophobicContact CB-CD1 4.2Å; A116-A315 WeakPolarHBondContact O-CB 3.48Å; A116-K316 HydrophobicContact CB-CG 4.06Å; A116-I319 VanDerWaalsContact CA-CD1 3.45Å; A116-I319 HydrophobicContact CB-CD1 3.88Å
117	K	95.3	Very high	93.4	Very high	161 Å²	161	54.9 Å²	54.9	70%	0.7	26%	0.263	S	S	*	.	H	α-helix	trans	-74.9	-36.7	176.8	-72.1	-175	175.3	-175.5	0	112.9	S115 H121	S115-K117 PolarHBondContact O-N 3.05Å; S115-K117 VanDerWaalsContact O-N 3.09Å; K117-H121 PolarHBondContact O-N 2.73Å
118	E	95.8	Very high	93.2	Very high	20 Å²	20	59.1 Å²	59.1	9%	0.093	28%	0.28	C	S	.	.	H	α-helix	trans	-69.1	-43.5	175.4	-79.1	155.5	156.4	0	0	110.6	V106 N109 V114 S115 H121 W122	V106-E118 HydrophobicContact CG1-CB 4.4Å; N109-E118 WeakPolarHBondContact CB-OE1 3.14Å; N109-E118 PolarHBondContact N-OE1 2.93Å; N109-E118 PolarHBondContact ND2-OE1 3.5Å; V114-E118 HydrophobicContact CG1-CB 4.2Å; S115-E118 WeakPolarHBondContact CB-OE2 3.32Å; S115-E118 PolarHBondContact N-OE2 2.9Å; S115-E118 PolarHBondContact O-N 2.97Å; S115-E118 PolarHBondContact OG-N 2.78Å; S115-E118 PolarHBondContact OG-OE2 2.77Å; E118-H121 PolarHBondContact O-N 3.24Å; E118-W122 WeakPolarHBondContact O-CB 3.47Å; E118-W122 PolarHBondContact O-N 3.42Å
119	M	94.8	Very high	93.1	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-42.7	173.6	-171.5	66.5	80.5	0	0	111.7	F78 V106 V114 S115 H121 W122 I123 A315 M318 L330 F342	F78-M119 HydrophobicContact CD2-CE 4.34Å; F78-M119 HydrophobicContact CD2-SD 3.97Å; F78-M119 HydrophobicContact CE2-CE 4.05Å; F78-M119 HydrophobicContact CE2-SD 4.12Å; V106-M119 HydrophobicContact CG1-SD 4.42Å; V114-M119 HydrophobicContact CG1-CB 3.92Å; V114-M119 HydrophobicContact CG1-CE 3.95Å; S115-M119 PolarHBondContact O-N 2.79Å; M119-H121 PolarHBondContact O-N 3.15Å; M119-W122 WeakPolarHBondContact O-CB 3.33Å; M119-W122 PolarHBondContact O-N 2.82Å; M119-I123 HydrophobicContact CG-CD1 4.16Å; M119-I123 VanDerWaalsContact O-CG1 3.3Å; M119-I123 WeakPolarHBondContact O-CG1 3.4Å; M119-I123 PolarHBondContact O-N 2.71Å; M119-A315 HydrophobicContact CB-CB 3.75Å; M119-A315 HydrophobicContact CG-CB 3.73Å; M119-M318 HydrophobicContact CE-CE 3.97Å; M119-M318 HydrophobicContact CG-CE 4.3Å; M119-M318 HydrophobicContact CG-SD 4.42Å; M119-M318 HydrophobicContact SD-CE 3.7Å; M119-M318 HydrophobicContact SD-SD 4.5Å; M119-L330 HydrophobicContact CE-CD2 3.99Å; M119-F342 HydrophobicContact CE-CE1 4.43Å
120	Q	95.1	Very high	92.9	Very high	33 Å²	33	54.8 Å²	54.8	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-48.4	173.7	178.2	-164.6	14.4	0	0	111.6	A116 W122 I123 V124 E308 A311 L312 A315	A116-Q120 VanDerWaalsContact O-CB 3.23Å; A116-Q120 WeakPolarHBondContact O-CB 3.26Å; A116-Q120 PolarHBondContact O-N 3.27Å; Q120-W122 VanDerWaalsContact C-N 3.28Å; Q120-W122 PolarHBondContact O-N 3.26Å; Q120-I123 PolarHBondContact O-N 3.29Å; Q120-V124 WeakPolarHBondContact O-CG2 3.39Å; Q120-V124 PolarHBondContact O-N 3.06Å; Q120-E308 PolarHBondContact NE2-O 3.48Å; Q120-A311 HydrophobicContact CG-CB 4.07Å; Q120-L312 HydrophobicContact CB-CB 4.49Å; Q120-L312 HydrophobicContact CB-CD1 4.17Å; Q120-L312 HydrophobicContact CG-CB 4.03Å; Q120-L312 HydrophobicContact CG-CD1 4.47Å; Q120-A315 HydrophobicContact CB-CB 4.23Å
121	H	94.6	Very high	92.7	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.505	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-41.8	178.4	-178.6	-81.8	0	0	0	111.2	K117 E118 M119 V124 E125	K117-H121 PolarHBondContact O-N 2.73Å; E118-H121 PolarHBondContact O-N 3.24Å; M119-H121 PolarHBondContact O-N 3.15Å; H121-V124 PolarHBondContact O-N 3.49Å; H121-E125 IonicContact CE1-OE2 2.8Å; H121-E125 PolarHBondContact CE1-OE2 2.94Å; H121-E125 IonicContact ND1-OE2 3.47Å; H121-E125 VanDerWaalsContact O-CB 3.29Å; H121-E125 WeakPolarHBondContact O-CB 3.34Å; H121-E125 PolarHBondContact O-N 2.94Å
122	W	94.6	Very high	92.6	Very high	14 Å²	14	50.6 Å²	50.6	5%	0.053	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-48.1	177	178.3	-103.3	0	0	0	112.8	F78 I102 K105 V106 E118 M119 Q120 V124 E125 K126	F78-W122 AromaticContact CD2-NE1 3.93Å; F78-W122 PolarHBondContact O-NE1 3.1Å; I102-W122 HydrophobicContact CG2-CH2 4.49Å; I102-W122 HydrophobicContact CG2-CZ2 3.7Å; K105-W122 HydrophobicContact CB-CE3 4.48Å; K105-W122 HydrophobicContact CB-CH2 3.89Å; K105-W122 HydrophobicContact CB-CZ3 3.64Å; K105-W122 HydrophobicContact CD-CH2 3.84Å; K105-W122 HydrophobicContact CD-CZ3 4.2Å; V106-W122 HydrophobicContact CB-CG 4.45Å; V106-W122 HydrophobicContact CG1-CB 3.93Å; V106-W122 HydrophobicContact CG1-CG 4.23Å; V106-W122 HydrophobicContact CG2-CB 4.18Å; V106-W122 HydrophobicContact CG2-CD2 3.49Å; V106-W122 VanDerWaalsContact CG2-CD2 3.49Å; V106-W122 HydrophobicContact CG2-CE3 3.96Å; V106-W122 HydrophobicContact CG2-CG 3.59Å; V106-W122 HydrophobicContact CG2-CZ2 4.3Å; E118-W122 WeakPolarHBondContact O-CB 3.47Å; E118-W122 PolarHBondContact O-N 3.42Å; M119-W122 WeakPolarHBondContact O-CB 3.33Å; M119-W122 PolarHBondContact O-N 2.82Å; Q120-W122 VanDerWaalsContact C-N 3.28Å; Q120-W122 PolarHBondContact O-N 3.26Å; W122-V124 PolarHBondContact O-N 3.12Å; W122-E125 PolarHBondContact O-N 3.02Å; W122-K126 HydrophobicContact CD2-CG 4.23Å; W122-K126 VanDerWaalsContact CH2-CE 3.43Å; W122-K126 HydrophobicContact CZ2-CD 4.16Å; W122-K126 HydrophobicContact CZ2-CG 4.15Å; W122-K126 WeakPolarHBondContact O-CB 3.4Å; W122-K126 WeakPolarHBondContact O-CG 3.31Å; W122-K126 PolarHBondContact O-N 3.36Å
123	I	92.9	Very high	92.4	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-56.3	-51.5	176	-67.2	167.3	0	0	0	109.7	V77 M119 Q120 E125 K126 T127 A311 E314 A315 M318	V77-I123 HydrophobicContact CB-CG1 4.45Å; V77-I123 HydrophobicContact CB-CG2 3.86Å; V77-I123 HydrophobicContact CG1-CG2 4.36Å; V77-I123 HydrophobicContact CG2-CD1 4.45Å; V77-I123 HydrophobicContact CG2-CG1 4.11Å; V77-I123 HydrophobicContact CG2-CG2 4.09Å; M119-I123 HydrophobicContact CG-CD1 4.16Å; M119-I123 VanDerWaalsContact O-CG1 3.3Å; M119-I123 WeakPolarHBondContact O-CG1 3.4Å; M119-I123 PolarHBondContact O-N 2.71Å; Q120-I123 PolarHBondContact O-N 3.29Å; I123-E125 VanDerWaalsContact C-N 3.29Å; I123-E125 PolarHBondContact O-N 3.29Å; I123-K126 PolarHBondContact O-N 3.16Å; I123-K126 VanDerWaalsContact O-N 3.17Å; I123-T127 PolarHBondContact O-N 3.26Å; I123-T127 PolarHBondContact O-OG1 2.85Å; I123-A311 HydrophobicContact CG2-CB 4.05Å; I123-E314 HydrophobicContact CD1-CB 4.09Å; I123-E314 HydrophobicContact CD1-CG 4.03Å; I123-A315 HydrophobicContact CD1-CB 4.05Å; I123-M318 HydrophobicContact CD1-SD 3.96Å
124	V	92.6	Very high	92.1	Very high	13 Å²	13	43 Å²	43	8%	0.079	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-36.8	179.8	172.6	0	0	0	0	112	Q120 H121 W122 K128 A311	Q120-V124 WeakPolarHBondContact O-CG2 3.39Å; Q120-V124 PolarHBondContact O-N 3.06Å; H121-V124 PolarHBondContact O-N 3.49Å; W122-V124 PolarHBondContact O-N 3.12Å; V124-K128 HydrophobicContact CG1-CD 4.3Å; V124-K128 VanDerWaalsContact O-CG 3.28Å; V124-K128 WeakPolarHBondContact O-CG 3.27Å; V124-K128 PolarHBondContact O-N 3.22Å; V124-K128 VanDerWaalsContact O-N 3.15Å; V124-A311 HydrophobicContact CG2-CB 3.71Å
125	E	92.6	Very high	91.9	Very high	82 Å²	82	46.5 Å²	46.5	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-66.4	-44.3	175.8	-174.7	164.8	-158.6	0	0	111.3	H121 W122 I123 K128 E129	H121-E125 IonicContact CE1-OE2 2.8Å; H121-E125 PolarHBondContact CE1-OE2 2.94Å; H121-E125 IonicContact ND1-OE2 3.47Å; H121-E125 VanDerWaalsContact O-CB 3.29Å; H121-E125 WeakPolarHBondContact O-CB 3.34Å; H121-E125 PolarHBondContact O-N 2.94Å; W122-E125 PolarHBondContact O-N 3.02Å; I123-E125 VanDerWaalsContact C-N 3.29Å; I123-E125 PolarHBondContact O-N 3.29Å; E125-K128 WeakPolarHBondContact O-CB 3.49Å; E125-K128 PolarHBondContact O-N 3.38Å; E125-E129 WeakPolarHBondContact O-CG 3.42Å; E125-E129 PolarHBondContact O-N 3.14Å
126	K	91.1	Very high	91.5	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.03	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-42.7	176.2	-76.7	-67.8	-174.4	172.3	0	112.8	V77 L79 D82 W122 I123 K128 E129 H130	V77-K126 WeakPolarHBondContact O-CB 3.31Å; L79-K126 WeakPolarHBondContact O-CE 3.37Å; L79-K126 PolarHBondContact O-NZ 3.46Å; D82-K126 IonicContact OD2-NZ 2.69Å; D82-K126 PolarHBondContact OD2-NZ 3.25Å; W122-K126 HydrophobicContact CD2-CG 4.23Å; W122-K126 VanDerWaalsContact CH2-CE 3.43Å; W122-K126 HydrophobicContact CZ2-CD 4.16Å; W122-K126 HydrophobicContact CZ2-CG 4.15Å; W122-K126 WeakPolarHBondContact O-CB 3.4Å; W122-K126 WeakPolarHBondContact O-CG 3.31Å; W122-K126 PolarHBondContact O-N 3.36Å; I123-K126 PolarHBondContact O-N 3.16Å; I123-K126 VanDerWaalsContact O-N 3.17Å; K126-K128 VanDerWaalsContact C-N 3.26Å; K126-K128 PolarHBondContact O-N 3.14Å; K126-E129 IonicContact NZ-OE2 3.99Å; K126-E129 WeakPolarHBondContact O-CB 3.43Å; K126-E129 PolarHBondContact O-N 2.87Å; K126-E129 VanDerWaalsContact O-N 3.13Å; K126-H130 PolarHBondContact O-N 2.72Å
127	T	89.9	Confident	91.1	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-39.2	173.3	-49.2	0	0	0	0	111.3	I123 H130 F131 P305 M306	I123-T127 PolarHBondContact O-N 3.26Å; I123-T127 PolarHBondContact O-OG1 2.85Å; T127-H130 PolarHBondContact O-N 3.44Å; T127-F131 HydrophobicContact CG2-CD1 4.35Å; T127-F131 HydrophobicContact CG2-CE1 4.01Å; T127-F131 HydrophobicContact CG2-CZ 4.36Å; T127-F131 WeakPolarHBondContact O-CD1 3.29Å; T127-F131 PolarHBondContact O-N 2.73Å; T127-P305 HydrophobicContact CG2-CB 3.78Å; T127-P305 HydrophobicContact CG2-CG 4.43Å; T127-M306 HydrophobicContact CG2-CE 3.42Å; T127-M306 VanDerWaalsContact CG2-CE 3.42Å; T127-M306 HydrophobicContact CG2-SD 4.35Å
128	K	91	Very high	90.8	Very high	100 Å²	100	48.3 Å²	48.3	44%	0.435	22%	0.224	S	C	.	.	H	α-helix	trans	-69.6	-32.9	176.1	-73.6	169.9	-175.8	167.6	0	113.1	V124 E125 K126 K132 M306	V124-K128 HydrophobicContact CG1-CD 4.3Å; V124-K128 VanDerWaalsContact O-CG 3.28Å; V124-K128 WeakPolarHBondContact O-CG 3.27Å; V124-K128 PolarHBondContact O-N 3.22Å; V124-K128 VanDerWaalsContact O-N 3.15Å; E125-K128 WeakPolarHBondContact O-CB 3.49Å; E125-K128 PolarHBondContact O-N 3.38Å; K126-K128 VanDerWaalsContact C-N 3.26Å; K126-K128 PolarHBondContact O-N 3.14Å; K128-K132 WeakPolarHBondContact O-CG 3.44Å; K128-K132 PolarHBondContact O-N 2.97Å; K128-M306 HydrophobicContact CB-CE 4.46Å; K128-M306 HydrophobicContact CG-CE 3.71Å; K128-M306 HydrophobicContact CG-SD 3.94Å
129	E	90.2	Very high	90.4	Very high	61 Å²	61	51 Å²	51	29%	0.285	24%	0.235	S	C	.	.	H	α-helix	trans	-63.3	-49.4	171.3	-71.4	-174.6	164.8	0	0	109.9	E125 K126 F131 K132 E133	E125-E129 WeakPolarHBondContact O-CG 3.42Å; E125-E129 PolarHBondContact O-N 3.14Å; K126-E129 IonicContact NZ-OE2 3.99Å; K126-E129 WeakPolarHBondContact O-CB 3.43Å; K126-E129 PolarHBondContact O-N 2.87Å; K126-E129 VanDerWaalsContact O-N 3.13Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 2.73Å; E129-K132 WeakPolarHBondContact O-CB 3.3Å; E129-K132 PolarHBondContact O-N 3.08Å; E129-E133 WeakPolarHBondContact O-CG 3.48Å; E129-E133 PolarHBondContact O-N 3.24Å
130	H	87.1	Confident	90	Very high	32 Å²	32	55.5 Å²	55.5	15%	0.148	26%	0.259	C	S	.	.	H	α-helix	trans	-56.3	-44.9	177.7	179.7	46.2	0	0	0	112.4	N59 K126 T127 K132 E133 A134 E224	N59-H130 WeakPolarHBondContact CB-NE2 3.47Å; N59-H130 PolarHBondContact O-NE2 2.76Å; K126-H130 PolarHBondContact O-N 2.72Å; T127-H130 PolarHBondContact O-N 3.44Å; H130-K132 VanDerWaalsContact C-N 3.27Å; H130-K132 PolarHBondContact O-N 3.13Å; H130-E133 PolarHBondContact O-N 3.03Å; H130-E133 VanDerWaalsContact O-N 3.15Å; H130-A134 PolarHBondContact O-N 3.15Å; H130-E224 IonicContact NE2-OE1 3.43Å
131	F	88.6	Confident	89.6	Confident	26 Å²	26	54.2 Å²	54.2	11%	0.114	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-34.7	177.4	-79.8	18.6	0	0	0	113	T127 E129 M135 E224 H225 P305 M306	T127-F131 HydrophobicContact CG2-CD1 4.35Å; T127-F131 HydrophobicContact CG2-CE1 4.01Å; T127-F131 HydrophobicContact CG2-CZ 4.36Å; T127-F131 WeakPolarHBondContact O-CD1 3.29Å; T127-F131 PolarHBondContact O-N 2.73Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 2.73Å; F131-M135 WeakPolarHBondContact O-CG 2.94Å; F131-M135 PolarHBondContact O-N 2.74Å; F131-M135 VanDerWaalsContact O-N 3.14Å; F131-E224 HydrophobicContact CD1-CG 4.43Å; F131-E224 HydrophobicContact CE1-CB 4.17Å; F131-E224 HydrophobicContact CE1-CG 3.65Å; F131-E224 HydrophobicContact CZ-CB 4.31Å; F131-E224 HydrophobicContact CZ-CG 4.2Å; F131-E224 WeakPolarHBondContact CZ-O 3.46Å; F131-H225 AromaticContact CD2-CD2 3.96Å; F131-P305 HydrophobicContact CE1-CG 4.07Å; F131-P305 HydrophobicContact CE2-CG 4.46Å; F131-P305 HydrophobicContact CZ-CB 4.42Å; F131-P305 HydrophobicContact CZ-CG 3.47Å; F131-P305 VanDerWaalsContact CZ-CG 3.47Å; F131-M306 HydrophobicContact CD1-CE 4.3Å; F131-M306 HydrophobicContact CD2-CE 3.35Å; F131-M306 HydrophobicContact CE1-CE 4.33Å; F131-M306 HydrophobicContact CE2-CE 3.39Å; F131-M306 HydrophobicContact CE2-CG 4.01Å; F131-M306 HydrophobicContact CG-CE 3.85Å; F131-M306 HydrophobicContact CZ-CE 3.92Å
132	K	90	Very high	89.4	Confident	129 Å²	129	49.7 Å²	49.7	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-72	-38.1	176.3	-71	170.1	-173.9	170.6	0	112	K128 E129 H130 M135 E136	K128-K132 WeakPolarHBondContact O-CG 3.44Å; K128-K132 PolarHBondContact O-N 2.97Å; E129-K132 WeakPolarHBondContact O-CB 3.3Å; E129-K132 PolarHBondContact O-N 3.08Å; H130-K132 VanDerWaalsContact C-N 3.27Å; H130-K132 PolarHBondContact O-N 3.13Å; K132-M135 HydrophobicContact CB-CE 4.31Å; K132-M135 HydrophobicContact CG-CE 3.93Å; K132-M135 PolarHBondContact O-N 2.9Å; K132-E136 PolarHBondContact O-N 2.71Å; K132-E136 VanDerWaalsContact O-N 3.12Å
133	E	86.9	Confident	89	Confident	58 Å²	58	56.8 Å²	56.8	27%	0.271	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-48	176	-70.3	171.2	174.3	0	0	110.1	K81 E129 H130 M135 E136 E137	K81-E133 WeakPolarHBondContact CD-OE1 3.38Å; E129-E133 WeakPolarHBondContact O-CG 3.48Å; E129-E133 PolarHBondContact O-N 3.24Å; H130-E133 PolarHBondContact O-N 3.03Å; H130-E133 VanDerWaalsContact O-N 3.15Å; E133-M135 VanDerWaalsContact C-N 3.3Å; E133-M135 PolarHBondContact O-N 3.22Å; E133-E136 PolarHBondContact O-N 3.01Å; E133-E137 WeakPolarHBondContact O-CG 3.25Å; E133-E137 PolarHBondContact O-N 2.95Å
134	A	86.7	Confident	88.7	Confident	2 Å²	2	58.6 Å²	58.6	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-53.8	-43	173.4	0	0	0	0	0	112.8	H130 N138 H222	H130-A134 PolarHBondContact O-N 3.15Å; A134-N138 WeakPolarHBondContact O-CB 3.47Å; A134-N138 PolarHBondContact O-N 3.44Å; A134-H222 HydrophobicContact CB-CB 4.42Å
135	M	88.6	Confident	88.4	Confident	75 Å²	75	58 Å²	58	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-42	175.6	-76.4	-173	-69	0	0	113.2	F131 K132 E133 K139 L218	F131-M135 WeakPolarHBondContact O-CG 2.94Å; F131-M135 PolarHBondContact O-N 2.74Å; F131-M135 VanDerWaalsContact O-N 3.14Å; K132-M135 HydrophobicContact CB-CE 4.31Å; K132-M135 HydrophobicContact CG-CE 3.93Å; K132-M135 PolarHBondContact O-N 2.9Å; E133-M135 VanDerWaalsContact C-N 3.3Å; E133-M135 PolarHBondContact O-N 3.22Å; M135-K139 PolarHBondContact O-N 3.36Å; M135-L218 HydrophobicContact CG-CD1 4.47Å; M135-L218 HydrophobicContact CG-CD2 3.7Å
136	E	88.6	Confident	88.3	Confident	126 Å²	126	55 Å²	55	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-73	-37.7	-179.6	-69.3	-65.2	142.8	0	0	112.1	K132 E133 K139 N140	K132-E136 PolarHBondContact O-N 2.71Å; K132-E136 VanDerWaalsContact O-N 3.12Å; E133-E136 PolarHBondContact O-N 3.01Å; E136-K139 PolarHBondContact O-N 3.08Å; E136-N140 PolarHBondContact O-ND2 3.18Å
137	E	85.6	Confident	88	Confident	113 Å²	113	59.1 Å²	59.1	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-48.1	173.2	-72.2	177	-176.2	0	0	110.8	E133 K139 N140 S141	E133-E137 WeakPolarHBondContact O-CG 3.25Å; E133-E137 PolarHBondContact O-N 2.95Å; E137-K139 PolarHBondContact O-N 3.17Å; E137-K139 VanDerWaalsContact O-N 3.16Å; E137-N140 WeakPolarHBondContact O-CB 3.47Å; E137-N140 PolarHBondContact O-N 3.48Å; E137-S141 PolarHBondContact O-N 2.97Å; E137-S141 PolarHBondContact O-OG 3.41Å
138	N	88.5	Confident	87.8	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-53.4	-39.5	176.3	179	73.5	0	0	0	112.2	A134 N140 S141 F142 E214 F217 L218	A134-N138 WeakPolarHBondContact O-CB 3.47Å; A134-N138 PolarHBondContact O-N 3.44Å; N138-N140 VanDerWaalsContact C-N 3.29Å; N138-N140 PolarHBondContact O-N 3.49Å; N138-S141 PolarHBondContact O-N 3.47Å; N138-F142 WeakPolarHBondContact O-CB 3.22Å; N138-F142 PolarHBondContact O-N 3.49Å; N138-E214 PolarHBondContact ND2-O 2.97Å; N138-E214 VanDerWaalsContact ND2-O 3.11Å; N138-F217 WeakPolarHBondContact OD1-CD1 3.36Å; N138-L218 HydrophobicContact CB-CB 4.46Å; N138-L218 HydrophobicContact CB-CD1 3.58Å; N138-L218 VanDerWaalsContact OD1-CA 3.26Å; N138-L218 WeakPolarHBondContact OD1-CA 3.14Å; N138-L218 PolarHBondContact OD1-N 3.05Å
139	K	88.8	Confident	87.7	Confident	76 Å²	76	61.6 Å²	61.6	33%	0.33	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-35	178.3	-172.2	174.8	-165.4	161.4	0	113.3	M135 E136 E137 R143	M135-K139 PolarHBondContact O-N 3.36Å; E136-K139 PolarHBondContact O-N 3.08Å; E137-K139 PolarHBondContact O-N 3.17Å; E137-K139 VanDerWaalsContact O-N 3.16Å; K139-R143 WeakPolarHBondContact O-CD 3.4Å; K139-R143 VanDerWaalsContact O-CG 3.28Å; K139-R143 WeakPolarHBondContact O-CG 3.46Å; K139-R143 PolarHBondContact O-N 3.39Å
140	N	86.7	Confident	87.7	Confident	96 Å²	96	62.3 Å²	62.3	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-73.5	-45.6	176.1	-62.7	-37.3	0	0	0	110.2	E136 E137 N138 R143 A144	E136-N140 PolarHBondContact O-ND2 3.18Å; E137-N140 WeakPolarHBondContact O-CB 3.47Å; E137-N140 PolarHBondContact O-N 3.48Å; N138-N140 VanDerWaalsContact C-N 3.29Å; N138-N140 PolarHBondContact O-N 3.49Å; N140-R143 PolarHBondContact O-N 2.93Å; N140-A144 PolarHBondContact O-N 2.86Å; N140-A144 VanDerWaalsContact O-N 3.14Å
141	S	86.4	Confident	87.8	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-46.1	176.7	-57.9	0	0	0	0	111.9	E51 E137 N138 R143 A144 V145	E51-S141 WeakPolarHBondContact O-CB 3.48Å; E51-S141 PolarHBondContact O-OG 3.02Å; E137-S141 PolarHBondContact O-N 2.97Å; E137-S141 PolarHBondContact O-OG 3.41Å; N138-S141 PolarHBondContact O-N 3.47Å; S141-R143 VanDerWaalsContact C-N 3.35Å; S141-R143 PolarHBondContact O-N 3.41Å; S141-A144 WeakPolarHBondContact O-CA 3.45Å; S141-A144 WeakPolarHBondContact O-CB 3.34Å; S141-A144 PolarHBondContact O-N 3.34Å; S141-V145 WeakPolarHBondContact O-CG2 3.09Å; S141-V145 PolarHBondContact O-N 3.45Å
142	F	89.1	Confident	88	Confident	13 Å²	13	66.1 Å²	66.1	6%	0.057	35%	0.347	C	S	.	.	H	α-helix	trans	-55.6	-47.9	177.6	-171.9	-91.4	0	0	0	111.3	N138 A144 V145 D146 G151 V153 D213 E214 F217	N138-F142 WeakPolarHBondContact O-CB 3.22Å; N138-F142 PolarHBondContact O-N 3.49Å; F142-A144 PolarHBondContact O-N 3.02Å; F142-V145 CarbonylContact O-C 3.53Å; F142-V145 VanDerWaalsContact O-CG2 3.3Å; F142-V145 WeakPolarHBondContact O-CG2 3.2Å; F142-V145 PolarHBondContact O-N 3.12Å; F142-V145 VanDerWaalsContact O-N 3.13Å; F142-D146 HydrophobicContact CD1-CB 4.45Å; F142-D146 HydrophobicContact CE1-CB 4.18Å; F142-D146 WeakPolarHBondContact O-CB 3.34Å; F142-D146 PolarHBondContact O-N 3.25Å; F142-G151 WeakPolarHBondContact CZ-O 3.37Å; F142-V153 HydrophobicContact CD2-CG2 3.79Å; F142-V153 HydrophobicContact CE2-CG2 3.45Å; F142-V153 VanDerWaalsContact CE2-CG2 3.45Å; F142-V153 HydrophobicContact CZ-CG2 3.9Å; F142-D213 VanDerWaalsContact CE2-C 3.48Å; F142-E214 HydrophobicContact CD1-CB 4.5Å; F142-E214 HydrophobicContact CD2-CB 4.24Å; F142-E214 HydrophobicContact CD2-CG 4.44Å; F142-E214 HydrophobicContact CE1-CB 4.43Å; F142-E214 HydrophobicContact CE2-CB 4.15Å; F142-E214 HydrophobicContact CG-CB 4.41Å; F142-E214 HydrophobicContact CG-CG 4.27Å; F142-E214 HydrophobicContact CZ-CB 4.25Å; F142-F217 HydrophobicContact CB-CD1 4.07Å; F142-F217 HydrophobicContact CB-CE1 4.42Å; F142-F217 HydrophobicContact CD2-CB 3.72Å; F142-F217 AromaticContact CD2-CD1 3.74Å; F142-F217 HydrophobicContact CD2-CD1 3.74Å; F142-F217 AromaticContact CD2-CG 3.86Å; F142-F217 HydrophobicContact CD2-CG 3.86Å; F142-F217 HydrophobicContact CE2-CB 4.04Å; F142-F217 HydrophobicContact CE2-CG 4.48Å; F142-F217 HydrophobicContact CG-CD1 4.42Å
143	R	87.3	Confident	88.1	Confident	163 Å²	163	60 Å²	60	62%	0.615	32%	0.32	S	S	*	.	H	α-helix	trans	-63.9	-28	175.8	-72.8	172.2	177.7	-179.3	-0.8	113.7	K139 N140 S141	K139-R143 WeakPolarHBondContact O-CD 3.4Å; K139-R143 VanDerWaalsContact O-CG 3.28Å; K139-R143 WeakPolarHBondContact O-CG 3.46Å; K139-R143 PolarHBondContact O-N 3.39Å; N140-R143 PolarHBondContact O-N 2.93Å; S141-R143 VanDerWaalsContact C-N 3.35Å; S141-R143 PolarHBondContact O-N 3.41Å
144	A	85.9	Confident	88.4	Confident	44 Å²	44	59 Å²	59	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-76	-29.5	176.7	0	0	0	0	0	112	N140 S141 F142 K161	N140-A144 PolarHBondContact O-N 2.86Å; N140-A144 VanDerWaalsContact O-N 3.14Å; S141-A144 WeakPolarHBondContact O-CA 3.45Å; S141-A144 WeakPolarHBondContact O-CB 3.34Å; S141-A144 PolarHBondContact O-N 3.34Å; F142-A144 PolarHBondContact O-N 3.02Å; A144-K161 WeakPolarHBondContact O-CE 3.24Å
145	V	86.1	Confident	88.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-96.7	-11.3	-179.8	-60	0	0	0	0	114.8	I52 S141 F142 P147 V153 Y158 K161 F217	I52-V145 HydrophobicContact CD1-CG1 4.17Å; I52-V145 HydrophobicContact CG1-CG1 4.33Å; I52-V145 HydrophobicContact CG2-CG1 3.59Å; S141-V145 WeakPolarHBondContact O-CG2 3.09Å; S141-V145 PolarHBondContact O-N 3.45Å; F142-V145 CarbonylContact O-C 3.53Å; F142-V145 VanDerWaalsContact O-CG2 3.3Å; F142-V145 WeakPolarHBondContact O-CG2 3.2Å; F142-V145 PolarHBondContact O-N 3.12Å; F142-V145 VanDerWaalsContact O-N 3.13Å; V145-P147 WeakPolarHBondContact O-CD 3.45Å; V145-V153 HydrophobicContact CB-CG1 4.02Å; V145-V153 HydrophobicContact CB-CG2 4.46Å; V145-V153 HydrophobicContact CG2-CB 4.32Å; V145-V153 HydrophobicContact CG2-CG1 3.8Å; V145-V153 HydrophobicContact CG2-CG2 3.54Å; V145-Y158 HydrophobicContact CG1-CD2 4.44Å; V145-K161 HydrophobicContact CG1-CB 4.11Å; V145-K161 HydrophobicContact CG1-CG 4.13Å; V145-F217 HydrophobicContact CG1-CZ 4.42Å; V145-F217 HydrophobicContact CG2-CE1 4.02Å; V145-F217 HydrophobicContact CG2-CE2 4.04Å; V145-F217 HydrophobicContact CG2-CZ 3.68Å
146	D	90.5	Very high	88.8	Confident	20 Å²	20	61.1 Å²	61.1	11%	0.107	33%	0.328	C	S	.	.			trans	-104	78.5	171.1	178.1	10.6	0	0	0	110.8	F142 G149 D150 G151 V153	F142-D146 HydrophobicContact CD1-CB 4.45Å; F142-D146 HydrophobicContact CE1-CB 4.18Å; F142-D146 WeakPolarHBondContact O-CB 3.34Å; F142-D146 PolarHBondContact O-N 3.25Å; D146-G149 VanDerWaalsContact OD1-CA 3.22Å; D146-G149 WeakPolarHBondContact OD1-CA 3.15Å; D146-G149 PolarHBondContact OD1-N 3.21Å; D146-G149 WeakPolarHBondContact OD2-CA 3.49Å; D146-D150 PolarHBondContact OD1-N 3.33Å; D146-G151 PolarHBondContact OD2-N 2.89Å; D146-G151 VanDerWaalsContact OD2-N 3.14Å; D146-V153 HydrophobicContact CB-CG2 4.16Å
147	P	84.8	Confident	88.8	Confident	92 Å²	92	56.7 Å²	56.7	60%	0.597	31%	0.307	S	S	*	.	S	Bend	trans	-76.4	-23	-178.2	31.9	-37	0	0	0	113.6	V145	V145-P147 WeakPolarHBondContact O-CD 3.45Å
148	D	86.9	Confident	89.1	Confident	101 Å²	101	51.3 Å²	51.3	54%	0.54	28%	0.282	S	S	.	.	S	Bend	trans	-88.9	-14.9	-179.7	77.7	-1.8	0	0	0	112.5	D150	D148-D150 VanDerWaalsContact C-N 3.3Å; D148-D150 WeakPolarHBondContact OD1-CB 3.37Å; D148-D150 PolarHBondContact OD1-N 3.49Å; D148-D150 VanDerWaalsContact OD1-N 3.12Å
149	G	88.2	Confident	89.1	Confident	58 Å²	58	53.3 Å²	53.3	60%	0.598	29%	0.291	S	S	*	.			trans	71.4	26.7	172.6	0	0	0	0	0	112.2	D146 G151	D146-G149 VanDerWaalsContact OD1-CA 3.22Å; D146-G149 WeakPolarHBondContact OD1-CA 3.15Å; D146-G149 PolarHBondContact OD1-N 3.21Å; D146-G149 WeakPolarHBondContact OD2-CA 3.49Å; G149-G151 PolarHBondContact O-N 3.09Å
150	D	90.4	Very high	89.1	Confident	75 Å²	75	50.4 Å²	50.4	40%	0.401	28%	0.279	S	S	.	.	S	Bend	trans	-78.1	-7.3	-180	87.8	-4.8	0	0	0	113	D146 D148 Y152	D146-D150 PolarHBondContact OD1-N 3.33Å; D148-D150 VanDerWaalsContact C-N 3.3Å; D148-D150 WeakPolarHBondContact OD1-CB 3.37Å; D148-D150 PolarHBondContact OD1-N 3.49Å; D148-D150 VanDerWaalsContact OD1-N 3.12Å; D150-Y152 VanDerWaalsContact C-N 3.33Å; D150-Y152 WeakPolarHBondContact O-CD2 3.29Å; D150-Y152 WeakPolarHBondContact OD1-CA 3.4Å; D150-Y152 WeakPolarHBondContact OD1-CB 3.29Å; D150-Y152 PolarHBondContact OD1-N 3.46Å
151	G	90.1	Very high	89.1	Confident	34 Å²	34	48.1 Å²	48.1	35%	0.351	26%	0.264	S	S	.	.	S	Bend	trans	83.6	9.6	178.7	0	0	0	0	0	113.7	F142 D146 G149	F142-G151 WeakPolarHBondContact CZ-O 3.37Å; D146-G151 PolarHBondContact OD2-N 2.89Å; D146-G151 VanDerWaalsContact OD2-N 3.14Å; G149-G151 PolarHBondContact O-N 3.09Å
152	Y	92.7	Very high	89.2	Confident	105 Å²	105	47.9 Å²	47.9	41%	0.412	26%	0.263	S	S	.	.			trans	-132.1	150	173.7	-58.8	-90.2	0	0	0	109.1	D150 R211 L212 D213	D150-Y152 VanDerWaalsContact C-N 3.33Å; D150-Y152 WeakPolarHBondContact O-CD2 3.29Å; D150-Y152 WeakPolarHBondContact OD1-CA 3.4Å; D150-Y152 WeakPolarHBondContact OD1-CB 3.29Å; D150-Y152 PolarHBondContact OD1-N 3.46Å; Y152-R211 HydrophobicContact CD1-CB 4.34Å; Y152-L212 CarbonylContact C-O 3.15Å; Y152-L212 WeakPolarHBondContact CA-O 3.43Å; Y152-D213 HydrophobicContact CD1-CB 4.11Å; Y152-D213 HydrophobicContact CE1-CB 4.09Å
153	V	92.5	Very high	89	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.8	172.8	-173.4	0	0	0	0	107.5	F142 V145 D146 E157 W200 R211 L212	F142-V153 HydrophobicContact CD2-CG2 3.79Å; F142-V153 HydrophobicContact CE2-CG2 3.45Å; F142-V153 VanDerWaalsContact CE2-CG2 3.45Å; F142-V153 HydrophobicContact CZ-CG2 3.9Å; V145-V153 HydrophobicContact CB-CG1 4.02Å; V145-V153 HydrophobicContact CB-CG2 4.46Å; V145-V153 HydrophobicContact CG2-CB 4.32Å; V145-V153 HydrophobicContact CG2-CG1 3.8Å; V145-V153 HydrophobicContact CG2-CG2 3.54Å; D146-V153 HydrophobicContact CB-CG2 4.16Å; V153-E157 HydrophobicContact CG1-CB 4.36Å; V153-W200 HydrophobicContact CB-CH2 3.97Å; V153-W200 HydrophobicContact CG1-CH2 3.71Å; V153-W200 WeakPolarHBondContact O-CZ2 3.44Å; V153-R211 CarbonylContact O-C 3.6Å; V153-R211 VanDerWaalsContact O-CA 3.3Å; V153-R211 WeakPolarHBondContact O-CA 3.43Å; V153-L212 PolarHBondContact N-O 3.19Å; V153-L212 PolarHBondContact O-N 3.32Å
154	T	92.8	Very high	89	Confident	37 Å²	37	40.7 Å²	40.7	23%	0.227	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	155.3	171.6	65.8	0	0	0	0	111.3	D156 E157 Y158	T154-D156 PolarHBondContact O-N 2.9Å; T154-D156 VanDerWaalsContact O-N 3.16Å; T154-E157 WeakPolarHBondContact CB-OE2 3.19Å; T154-E157 PolarHBondContact N-OE2 3.2Å; T154-E157 PolarHBondContact O-N 3.02Å; T154-E157 VanDerWaalsContact O-N 3.09Å; T154-E157 VanDerWaalsContact OG1-CD 3.25Å; T154-E157 WeakPolarHBondContact OG1-CG 3.23Å; T154-E157 PolarHBondContact OG1-N 2.93Å; T154-E157 PolarHBondContact OG1-OE2 3.35Å; T154-Y158 PolarHBondContact O-N 3.46Å
155	W	91.6	Very high	88.8	Confident	35 Å²	35	40.5 Å²	40.5	13%	0.133	24%	0.236	C	C	.	.	H	α-helix	trans	-55.3	-35.1	176	178.5	-104.2	0	0	0	113.2	Y158 K159 L193 L196 K197 W200	W155-Y158 HydrophobicContact CE3-CD1 4.23Å; W155-Y158 HydrophobicContact CH2-CD1 4.35Å; W155-Y158 AromaticContact CZ3-CD1 3.85Å; W155-Y158 HydrophobicContact CZ3-CD1 3.85Å; W155-Y158 HydrophobicContact CZ3-CE1 4.22Å; W155-K159 WeakPolarHBondContact O-CB 3.36Å; W155-K159 PolarHBondContact O-N 3.41Å; W155-L193 HydrophobicContact CH2-CD2 4.5Å; W155-L193 HydrophobicContact CZ2-CD2 4.18Å; W155-L196 HydrophobicContact CH2-CB 3.83Å; W155-L196 HydrophobicContact CZ3-CB 4.34Å; W155-K197 HydrophobicContact CD2-CG 4.15Å; W155-K197 HydrophobicContact CE3-CG 4.47Å; W155-K197 HydrophobicContact CH2-CB 3.59Å; W155-K197 HydrophobicContact CH2-CG 4.14Å; W155-K197 HydrophobicContact CZ2-CB 3.5Å; W155-K197 VanDerWaalsContact CZ2-CB 3.5Å; W155-K197 HydrophobicContact CZ2-CD 4.3Å; W155-K197 HydrophobicContact CZ2-CG 3.78Å; W155-K197 HydrophobicContact CZ3-CB 4.2Å; W155-K197 HydrophobicContact CZ3-CG 4.47Å; W155-W200 HydrophobicContact CE3-CB 3.84Å; W155-W200 AromaticContact CE3-CD2 3.54Å; W155-W200 HydrophobicContact CE3-CD2 3.54Å; W155-W200 AromaticContact CE3-CE3 3.71Å; W155-W200 HydrophobicContact CE3-CE3 3.71Å; W155-W200 AromaticContact CE3-CG 3.61Å; W155-W200 HydrophobicContact CE3-CG 3.61Å; W155-W200 HydrophobicContact CE3-CZ3 4.47Å; W155-W200 HydrophobicContact CZ3-CB 3.79Å; W155-W200 HydrophobicContact CZ3-CD2 4.08Å; W155-W200 AromaticContact CZ3-CE3 3.95Å; W155-W200 HydrophobicContact CZ3-CE3 3.95Å; W155-W200 HydrophobicContact CZ3-CG 4.05Å
156	D	90.5	Very high	88.5	Confident	86 Å²	86	45.8 Å²	45.8	46%	0.46	26%	0.26	S	S	.	.	H	α-helix	trans	-69.9	-37.1	179.6	-75.5	-22.2	0	0	0	111.8	T154 K159 V160 I177	T154-D156 PolarHBondContact O-N 2.9Å; T154-D156 VanDerWaalsContact O-N 3.16Å; D156-K159 PolarHBondContact O-N 2.82Å; D156-V160 WeakPolarHBondContact O-CG2 3.31Å; D156-V160 PolarHBondContact O-N 2.81Å; D156-I177 HydrophobicContact CB-CG2 4.22Å
157	E	90.3	Very high	88	Confident	33 Å²	33	48.2 Å²	48.2	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-47.3	175.4	-73.2	162	146.3	0	0	111.6	V153 T154 K159 V160 K161	V153-E157 HydrophobicContact CG1-CB 4.36Å; T154-E157 WeakPolarHBondContact CB-OE2 3.19Å; T154-E157 PolarHBondContact N-OE2 3.2Å; T154-E157 PolarHBondContact O-N 3.02Å; T154-E157 VanDerWaalsContact O-N 3.09Å; T154-E157 VanDerWaalsContact OG1-CD 3.25Å; T154-E157 WeakPolarHBondContact OG1-CG 3.23Å; T154-E157 PolarHBondContact OG1-N 2.93Å; T154-E157 PolarHBondContact OG1-OE2 3.35Å; E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 3.03Å; E157-V160 PolarHBondContact O-N 2.92Å; E157-K161 PolarHBondContact O-N 3.31Å; E157-K161 VanDerWaalsContact O-N 3.15Å
158	Y	90.6	Very high	88	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-47.5	173.9	-179.6	-98.8	0	0	0	111.3	I52 V145 T154 W155 V160 K161 F162 L196 W200 F217 F220	I52-Y158 HydrophobicContact CG2-CD2 3.99Å; I52-Y158 HydrophobicContact CG2-CE2 3.48Å; I52-Y158 VanDerWaalsContact CG2-CE2 3.48Å; I52-Y158 WeakPolarHBondContact O-CE2 3.41Å; I52-Y158 PolarHBondContact O-OH 3.09Å; V145-Y158 HydrophobicContact CG1-CD2 4.44Å; T154-Y158 PolarHBondContact O-N 3.46Å; W155-Y158 HydrophobicContact CE3-CD1 4.23Å; W155-Y158 HydrophobicContact CH2-CD1 4.35Å; W155-Y158 AromaticContact CZ3-CD1 3.85Å; W155-Y158 HydrophobicContact CZ3-CD1 3.85Å; W155-Y158 HydrophobicContact CZ3-CE1 4.22Å; Y158-V160 VanDerWaalsContact C-N 3.31Å; Y158-V160 PolarHBondContact O-N 2.85Å; Y158-K161 PolarHBondContact O-N 3.03Å; Y158-K161 VanDerWaalsContact O-N 3.16Å; Y158-F162 HydrophobicContact CE1-CB 4.39Å; Y158-F162 WeakPolarHBondContact O-CB 3.37Å; Y158-F162 PolarHBondContact O-N 3.31Å; Y158-L196 HydrophobicContact CE1-CD1 4.2Å; Y158-W200 HydrophobicContact CD1-CE3 4.43Å; Y158-W200 HydrophobicContact CD1-CZ3 4.25Å; Y158-W200 AromaticContact CD2-CZ3 3.99Å; Y158-W200 HydrophobicContact CD2-CZ3 3.99Å; Y158-W200 HydrophobicContact CG-CE3 4.31Å; Y158-W200 HydrophobicContact CG-CH2 4.45Å; Y158-W200 AromaticContact CG-CZ3 3.69Å; Y158-W200 HydrophobicContact CG-CZ3 3.69Å; Y158-F217 AromaticContact CD2-CE2 3.92Å; Y158-F217 HydrophobicContact CD2-CE2 3.92Å; Y158-F217 HydrophobicContact CD2-CZ 4.42Å; Y158-F217 HydrophobicContact CE2-CE2 4.12Å; Y158-F217 HydrophobicContact CE2-CZ 4.4Å; Y158-F220 HydrophobicContact CD2-CE1 4.44Å; Y158-F220 HydrophobicContact CE1-CE1 4.31Å; Y158-F220 AromaticContact CE1-CZ 3.99Å; Y158-F220 HydrophobicContact CE1-CZ 3.99Å; Y158-F220 AromaticContact CE2-CE1 3.67Å; Y158-F220 HydrophobicContact CE2-CE1 3.67Å; Y158-F220 HydrophobicContact CE2-CZ 4.19Å; Y158-F220 AromaticContact CZ-CE1 3.61Å; Y158-F220 AromaticContact CZ-CZ 3.68Å
159	K	89.1	Confident	87.9	Confident	46 Å²	46	46.8 Å²	46.8	20%	0.2	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-38.7	179.3	-176.7	178.1	-177.4	177.9	0	112.6	W155 D156 E157 L163 I177 L193	W155-K159 WeakPolarHBondContact O-CB 3.36Å; W155-K159 PolarHBondContact O-N 3.41Å; D156-K159 PolarHBondContact O-N 2.82Å; E157-K159 VanDerWaalsContact C-N 3.33Å; E157-K159 PolarHBondContact O-N 3.03Å; K159-L163 HydrophobicContact CG-CD1 4.08Å; K159-L163 WeakPolarHBondContact O-CB 3.4Å; K159-L163 WeakPolarHBondContact O-CG 3.43Å; K159-L163 PolarHBondContact O-N 3.19Å; K159-I177 HydrophobicContact CD-CD1 4.29Å; K159-L193 HydrophobicContact CG-CD2 4.22Å
160	V	88.4	Confident	87.6	Confident	15 Å²	15	47.8 Å²	47.8	9%	0.091	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-46.2	176.6	172.4	0	0	0	0	110.1	D156 E157 Y158 L163 A164 E170 V173 I177	D156-V160 WeakPolarHBondContact O-CG2 3.31Å; D156-V160 PolarHBondContact O-N 2.81Å; E157-V160 PolarHBondContact O-N 2.92Å; Y158-V160 VanDerWaalsContact C-N 3.31Å; Y158-V160 PolarHBondContact O-N 2.85Å; V160-L163 PolarHBondContact O-N 3.05Å; V160-A164 WeakPolarHBondContact O-CB 3.28Å; V160-A164 PolarHBondContact O-N 2.89Å; V160-E170 HydrophobicContact CG1-CB 4.03Å; V160-E170 HydrophobicContact CG1-CG 4.11Å; V160-V173 HydrophobicContact CB-CG1 4.44Å; V160-V173 HydrophobicContact CG2-CG1 3.97Å; V160-I177 HydrophobicContact CG2-CD1 3.7Å
161	K	87.8	Confident	87.3	Confident	47 Å²	47	48.7 Å²	48.7	20%	0.204	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-41.8	179.6	-69.6	-72.9	170.4	-170.5	0	112.7	I52 A144 V145 E157 Y158 A164 S165 E170	I52-K161 HydrophobicContact CD1-CB 4.23Å; A144-K161 WeakPolarHBondContact O-CE 3.24Å; V145-K161 HydrophobicContact CG1-CB 4.11Å; V145-K161 HydrophobicContact CG1-CG 4.13Å; E157-K161 PolarHBondContact O-N 3.31Å; E157-K161 VanDerWaalsContact O-N 3.15Å; Y158-K161 PolarHBondContact O-N 3.03Å; Y158-K161 VanDerWaalsContact O-N 3.16Å; K161-A164 WeakPolarHBondContact O-CB 3.32Å; K161-A164 PolarHBondContact O-N 3.33Å; K161-S165 PolarHBondContact O-N 3.27Å; K161-E170 IonicContact NZ-OE1 2.7Å; K161-E170 PolarHBondContact NZ-OE1 2.67Å; K161-E170 IonicContact NZ-OE2 3Å; K161-E170 PolarHBondContact NZ-OE2 2.88Å
162	F	86.9	Confident	86.9	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-45.9	173.7	170.6	-98.8	0	0	0	112.2	L53 Y158 A164 S165 K166 T189 V192 L193 L196	L53-F162 HydrophobicContact CD1-CD2 4.49Å; L53-F162 HydrophobicContact CD1-CE2 4.12Å; L53-F162 HydrophobicContact CD2-CD2 3.56Å; L53-F162 HydrophobicContact CD2-CE2 3.47Å; L53-F162 VanDerWaalsContact CD2-CE2 3.47Å; L53-F162 HydrophobicContact CG-CD2 4.14Å; L53-F162 HydrophobicContact CG-CE2 4.16Å; Y158-F162 HydrophobicContact CE1-CB 4.39Å; Y158-F162 WeakPolarHBondContact O-CB 3.37Å; Y158-F162 PolarHBondContact O-N 3.31Å; F162-A164 VanDerWaalsContact C-N 3.27Å; F162-A164 PolarHBondContact O-N 3.02Å; F162-S165 PolarHBondContact O-N 3Å; F162-S165 PolarHBondContact O-OG 3.29Å; F162-K166 HydrophobicContact CE1-CG 4.44Å; F162-K166 HydrophobicContact CE2-CG 4.45Å; F162-K166 HydrophobicContact CZ-CG 4.2Å; F162-K166 PolarHBondContact O-N 3.34Å; F162-T189 HydrophobicContact CE1-CG2 3.93Å; F162-T189 HydrophobicContact CZ-CG2 4.41Å; F162-V192 HydrophobicContact CE2-CG1 4.12Å; F162-V192 HydrophobicContact CZ-CG1 3.81Å; F162-L193 HydrophobicContact CD1-CD1 4.46Å; F162-L193 HydrophobicContact CD1-CD2 3.49Å; F162-L193 VanDerWaalsContact CD1-CD2 3.49Å; F162-L193 HydrophobicContact CD1-CG 3.98Å; F162-L193 HydrophobicContact CE1-CD1 4.18Å; F162-L193 HydrophobicContact CE1-CD2 3.66Å; F162-L193 HydrophobicContact CE1-CG 3.62Å; F162-L193 HydrophobicContact CG-CD2 4.33Å; F162-L196 HydrophobicContact CD2-CD1 4.25Å; F162-L196 HydrophobicContact CE2-CD1 4.14Å
163	L	86.3	Confident	86.5	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-32.3	177.1	-70	175	0	0	0	111.4	K159 V160 K166 G167 F168 V173 L183 L185 T189 L193	K159-L163 HydrophobicContact CG-CD1 4.08Å; K159-L163 WeakPolarHBondContact O-CB 3.4Å; K159-L163 WeakPolarHBondContact O-CG 3.43Å; K159-L163 PolarHBondContact O-N 3.19Å; V160-L163 PolarHBondContact O-N 3.05Å; L163-K166 PolarHBondContact O-N 3.01Å; L163-G167 PolarHBondContact O-N 3.15Å; L163-F168 HydrophobicContact CB-CB 4.08Å; L163-F168 HydrophobicContact CB-CD2 4.14Å; L163-F168 HydrophobicContact CB-CG 4.29Å; L163-F168 HydrophobicContact CD2-CD2 4.02Å; L163-F168 HydrophobicContact CD2-CE2 4.09Å; L163-F168 VanDerWaalsContact O-CB 3.26Å; L163-F168 WeakPolarHBondContact O-CB 3.26Å; L163-F168 VanDerWaalsContact O-CD2 3.26Å; L163-F168 WeakPolarHBondContact O-CD2 3.34Å; L163-F168 PolarHBondContact O-N 3.37Å; L163-V173 HydrophobicContact CB-CG1 4.39Å; L163-V173 HydrophobicContact CB-CG2 4.11Å; L163-V173 HydrophobicContact CD1-CG1 3.65Å; L163-V173 HydrophobicContact CD1-CG2 4.14Å; L163-L183 HydrophobicContact CD1-CD1 3.78Å; L163-L185 HydrophobicContact CD1-CD2 4.42Å; L163-L185 HydrophobicContact CD2-CD1 4.33Å; L163-L185 HydrophobicContact CD2-CD2 3.65Å; L163-T189 HydrophobicContact CD2-CG2 4.05Å; L163-L193 HydrophobicContact CD2-CD1 4.38Å
164	A	85.9	Confident	86	Confident	25 Å²	25	49 Å²	49	21%	0.207	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-41.4	173.9	0	0	0	0	0	112.8	V160 K161 F162 K166 G167 F168 E170	V160-A164 WeakPolarHBondContact O-CB 3.28Å; V160-A164 PolarHBondContact O-N 2.89Å; K161-A164 WeakPolarHBondContact O-CB 3.32Å; K161-A164 PolarHBondContact O-N 3.33Å; F162-A164 VanDerWaalsContact C-N 3.27Å; F162-A164 PolarHBondContact O-N 3.02Å; A164-K166 VanDerWaalsContact C-N 3.27Å; A164-K166 PolarHBondContact O-N 3.14Å; A164-G167 PolarHBondContact O-N 2.91Å; A164-F168 WeakPolarHBondContact CA-O 3.16Å; A164-E170 HydrophobicContact CB-CG 3.42Å; A164-E170 VanDerWaalsContact CB-CG 3.42Å
165	S	82.3	Confident	85.6	Confident	40 Å²	40	51.1 Å²	51.1	28%	0.28	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-30.2	176.3	72.3	0	0	0	0	112.5	K161 F162 G167	K161-S165 PolarHBondContact O-N 3.27Å; F162-S165 PolarHBondContact O-N 3Å; F162-S165 PolarHBondContact O-OG 3.29Å; S165-G167 PolarHBondContact O-N 3.31Å
166	K	80	Confident	85.3	Confident	112 Å²	112	52 Å²	52	49%	0.487	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	3.2	170.6	-63	-63.6	-173.4	-177.4	0	114.3	F162 L163 A164 F168	F162-K166 HydrophobicContact CE1-CG 4.44Å; F162-K166 HydrophobicContact CE2-CG 4.45Å; F162-K166 HydrophobicContact CZ-CG 4.2Å; F162-K166 PolarHBondContact O-N 3.34Å; L163-K166 PolarHBondContact O-N 3.01Å; A164-K166 VanDerWaalsContact C-N 3.27Å; A164-K166 PolarHBondContact O-N 3.14Å; K166-F168 HydrophobicContact CB-CD2 4.03Å; K166-F168 HydrophobicContact CB-CE2 4.14Å
167	G	81.2	Confident	84.9	Confident	70 Å²	70	49.6 Å²	49.6	72%	0.722	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	9.5	176	0	0	0	0	0	115.3	L163 A164 S165	L163-G167 PolarHBondContact O-N 3.15Å; A164-G167 PolarHBondContact O-N 2.91Å; S165-G167 PolarHBondContact O-N 3.31Å
168	F	83.5	Confident	84.6	Confident	72 Å²	72	55.7 Å²	55.7	32%	0.316	30%	0.297	S	S	.	.			trans	-78.4	154.5	171.6	-63.9	-96.8	0	0	0	111.2	L163 A164 K166 E170 V173 L185	L163-F168 HydrophobicContact CB-CB 4.08Å; L163-F168 HydrophobicContact CB-CD2 4.14Å; L163-F168 HydrophobicContact CB-CG 4.29Å; L163-F168 HydrophobicContact CD2-CD2 4.02Å; L163-F168 HydrophobicContact CD2-CE2 4.09Å; L163-F168 VanDerWaalsContact O-CB 3.26Å; L163-F168 WeakPolarHBondContact O-CB 3.26Å; L163-F168 VanDerWaalsContact O-CD2 3.26Å; L163-F168 WeakPolarHBondContact O-CD2 3.34Å; L163-F168 PolarHBondContact O-N 3.37Å; A164-F168 WeakPolarHBondContact CA-O 3.16Å; K166-F168 HydrophobicContact CB-CD2 4.03Å; K166-F168 HydrophobicContact CB-CE2 4.14Å; F168-E170 PolarHBondContact O-N 3.04Å; F168-V173 HydrophobicContact CB-CG2 3.85Å; F168-L185 HydrophobicContact CE1-CD2 4.08Å; F168-L185 HydrophobicContact CE2-CD2 4.26Å; F168-L185 HydrophobicContact CZ-CD2 3.75Å
169	N	84.7	Confident	84.3	Confident	92 Å²	92	62 Å²	62	49%	0.492	32%	0.324	S	S	.	.			trans	-81.7	120.6	177.3	-170	-35.4	0	0	0	110.8	T171 E172 V173	N169-T171 PolarHBondContact O-N 3.29Å; N169-T171 VanDerWaalsContact O-N 3.17Å; N169-T171 PolarHBondContact OD1-N 3.34Å; N169-T171 VanDerWaalsContact OD1-N 3.08Å; N169-T171 PolarHBondContact OD1-OG1 2.87Å; N169-E172 HydrophobicContact CB-CB 4.17Å; N169-E172 PolarHBondContact O-N 3.36Å; N169-E172 VanDerWaalsContact O-N 3.11Å; N169-V173 WeakPolarHBondContact O-CG2 3.16Å; N169-V173 PolarHBondContact O-N 3.28Å
170	E	83.1	Confident	83.8	Confident	78 Å²	78	69.1 Å²	69.1	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-49.4	-42.7	179	-72.3	-174.1	177.1	0	0	112.9	V160 K161 A164 F168 T174	V160-E170 HydrophobicContact CG1-CB 4.03Å; V160-E170 HydrophobicContact CG1-CG 4.11Å; K161-E170 IonicContact NZ-OE1 2.7Å; K161-E170 PolarHBondContact NZ-OE1 2.67Å; K161-E170 IonicContact NZ-OE2 3Å; K161-E170 PolarHBondContact NZ-OE2 2.88Å; A164-E170 HydrophobicContact CB-CG 3.42Å; A164-E170 VanDerWaalsContact CB-CG 3.42Å; F168-E170 PolarHBondContact O-N 3.04Å; E170-T174 VanDerWaalsContact O-CB 3.3Å; E170-T174 WeakPolarHBondContact O-CB 3.28Å; E170-T174 PolarHBondContact O-N 3.15Å; E170-T174 PolarHBondContact O-OG1 3.13Å
171	T	82.3	Confident	83.4	Confident	94 Å²	94	73.4 Å²	73.4	58%	0.577	38%	0.375	S	S	*	.	H	α-helix	trans	-68.3	-40.1	-177	58.2	0	0	0	0	112.3	N169 D175	N169-T171 PolarHBondContact O-N 3.29Å; N169-T171 VanDerWaalsContact O-N 3.17Å; N169-T171 PolarHBondContact OD1-N 3.34Å; N169-T171 VanDerWaalsContact OD1-N 3.08Å; N169-T171 PolarHBondContact OD1-OG1 2.87Å; T171-D175 WeakPolarHBondContact O-CB 3.18Å; T171-D175 PolarHBondContact O-N 2.93Å
172	E	83.3	Confident	82.6	Confident	101 Å²	101	80.1 Å²	80.1	47%	0.472	41%	0.407	S	S	.	.	H	α-helix	trans	-69.4	-41.7	178.4	-173.5	-180	169.6	0	0	111.5	N169 D175 K176	N169-E172 HydrophobicContact CB-CB 4.17Å; N169-E172 PolarHBondContact O-N 3.36Å; N169-E172 VanDerWaalsContact O-N 3.11Å; E172-D175 PolarHBondContact O-N 3.34Å; E172-K176 HydrophobicContact CG-CD 4.31Å; E172-K176 WeakPolarHBondContact O-CB 3.24Å; E172-K176 VanDerWaalsContact O-CG 3.32Å; E172-K176 WeakPolarHBondContact O-CG 3.42Å; E172-K176 PolarHBondContact O-N 2.92Å; E172-K176 VanDerWaalsContact OE1-CE 3.26Å; E172-K176 WeakPolarHBondContact OE1-CE 3.42Å; E172-K176 IonicContact OE1-NZ 2.64Å; E172-K176 PolarHBondContact OE1-NZ 2.85Å
173	V	83.3	Confident	82.1	Confident	4 Å²	4	81.5 Å²	81.5	2%	0.024	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-47.8	176.3	173.7	0	0	0	0	110.2	V160 L163 F168 N169 D175 K176 I177 L183	V160-V173 HydrophobicContact CB-CG1 4.44Å; V160-V173 HydrophobicContact CG2-CG1 3.97Å; L163-V173 HydrophobicContact CB-CG1 4.39Å; L163-V173 HydrophobicContact CB-CG2 4.11Å; L163-V173 HydrophobicContact CD1-CG1 3.65Å; L163-V173 HydrophobicContact CD1-CG2 4.14Å; F168-V173 HydrophobicContact CB-CG2 3.85Å; N169-V173 WeakPolarHBondContact O-CG2 3.16Å; N169-V173 PolarHBondContact O-N 3.28Å; V173-D175 VanDerWaalsContact C-N 3.33Å; V173-D175 PolarHBondContact O-N 3.18Å; V173-K176 PolarHBondContact O-N 2.82Å; V173-I177 HydrophobicContact CG1-CD1 3.68Å; V173-I177 HydrophobicContact CG1-CG1 4.36Å; V173-I177 VanDerWaalsContact O-CG1 3.3Å; V173-I177 WeakPolarHBondContact O-CG1 3.3Å; V173-I177 PolarHBondContact O-N 3.46Å; V173-L183 HydrophobicContact CG1-CD1 4.38Å
174	T	82.8	Confident	81.7	Confident	41 Å²	41	91 Å²	91	25%	0.252	46%	0.455	S	S	.	.	H	α-helix	trans	-58.5	-44.8	178	-58.2	0	0	0	0	111.6	E170 K176 I177 K178	E170-T174 VanDerWaalsContact O-CB 3.3Å; E170-T174 WeakPolarHBondContact O-CB 3.28Å; E170-T174 PolarHBondContact O-N 3.15Å; E170-T174 PolarHBondContact O-OG1 3.13Å; T174-K176 PolarHBondContact O-N 2.99Å; T174-I177 PolarHBondContact O-N 3.37Å; T174-K178 HydrophobicContact CG2-CD 4.16Å; T174-K178 WeakPolarHBondContact O-CB 3.36Å; T174-K178 WeakPolarHBondContact O-CG 3.5Å; T174-K178 PolarHBondContact O-N 2.93Å
175	D	83.9	Confident	81.5	Confident	82 Å²	82	91.5 Å²	91.5	44%	0.439	45%	0.454	S	S	.	.	H	α-helix	trans	-65.1	-39.2	178.9	-82	-10.4	0	0	0	112.3	T171 E172 V173 K179	T171-D175 WeakPolarHBondContact O-CB 3.18Å; T171-D175 PolarHBondContact O-N 2.93Å; E172-D175 PolarHBondContact O-N 3.34Å; V173-D175 VanDerWaalsContact C-N 3.33Å; V173-D175 PolarHBondContact O-N 3.18Å; D175-K179 WeakPolarHBondContact O-CB 3.5Å; D175-K179 VanDerWaalsContact O-CG 3.24Å; D175-K179 WeakPolarHBondContact O-CG 3.33Å; D175-K179 PolarHBondContact O-N 3.45Å
176	K	84.3	Confident	81.6	Confident	54 Å²	54	93.1 Å²	93.1	24%	0.235	46%	0.46	C	S	.	.	H	α-helix	trans	-68.8	-41	177	-74.5	176.7	-175.2	170.7	0	112.3	E172 V173 T174 K179 K180 E181 L183	E172-K176 HydrophobicContact CG-CD 4.31Å; E172-K176 WeakPolarHBondContact O-CB 3.24Å; E172-K176 VanDerWaalsContact O-CG 3.32Å; E172-K176 WeakPolarHBondContact O-CG 3.42Å; E172-K176 PolarHBondContact O-N 2.92Å; E172-K176 VanDerWaalsContact OE1-CE 3.26Å; E172-K176 WeakPolarHBondContact OE1-CE 3.42Å; E172-K176 IonicContact OE1-NZ 2.64Å; E172-K176 PolarHBondContact OE1-NZ 2.85Å; V173-K176 PolarHBondContact O-N 2.82Å; T174-K176 PolarHBondContact O-N 2.99Å; K176-K179 CarbonylContact O-C 3.56Å; K176-K179 PolarHBondContact O-N 3.35Å; K176-K180 PolarHBondContact O-N 3.28Å; K176-E181 HydrophobicContact CB-CB 4.39Å; K176-E181 HydrophobicContact CG-CB 4.48Å; K176-E181 PolarHBondContact O-N 3.07Å; K176-L183 HydrophobicContact CB-CD2 3.9Å; K176-L183 HydrophobicContact CB-CG 4.49Å; K176-L183 HydrophobicContact CD-CD2 3.45Å; K176-L183 VanDerWaalsContact CD-CD2 3.45Å; K176-L183 HydrophobicContact CG-CD2 4.34Å
177	I	83.9	Confident	81.9	Confident	34 Å²	34	95.1 Å²	95.1	17%	0.174	47%	0.471	C	S	.	.	H	α-helix	trans	-60.5	-47.9	174.2	-68.8	169.6	0	0	0	109.9	D156 K159 V160 V173 T174 K179 K180 L183	D156-I177 HydrophobicContact CB-CG2 4.22Å; K159-I177 HydrophobicContact CD-CD1 4.29Å; V160-I177 HydrophobicContact CG2-CD1 3.7Å; V173-I177 HydrophobicContact CG1-CD1 3.68Å; V173-I177 HydrophobicContact CG1-CG1 4.36Å; V173-I177 VanDerWaalsContact O-CG1 3.3Å; V173-I177 WeakPolarHBondContact O-CG1 3.3Å; V173-I177 PolarHBondContact O-N 3.46Å; T174-I177 PolarHBondContact O-N 3.37Å; I177-K179 VanDerWaalsContact C-N 3.28Å; I177-K179 PolarHBondContact O-N 3.1Å; I177-K180 PolarHBondContact O-N 3.31Å; I177-L183 HydrophobicContact CG1-CD1 4.42Å
178	K	83.3	Confident	82.1	Confident	162 Å²	162	97.7 Å²	97.7	70%	0.704	46%	0.464	S	S	*	.	H	α-helix	trans	-59.8	-36.9	176.6	-74.9	175.2	-178.3	172.3	0	113	T174 K180	T174-K178 HydrophobicContact CG2-CD 4.16Å; T174-K178 WeakPolarHBondContact O-CB 3.36Å; T174-K178 WeakPolarHBondContact O-CG 3.5Å; T174-K178 PolarHBondContact O-N 2.93Å; K178-K180 VanDerWaalsContact C-N 3.3Å
179	K	83.5	Confident	82.1	Confident	131 Å²	131	94.9 Å²	94.9	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-81.5	-5.3	177.2	-69.3	172.6	-171.4	169.4	0	113.8	D175 K176 I177 E181	D175-K179 WeakPolarHBondContact O-CB 3.5Å; D175-K179 VanDerWaalsContact O-CG 3.24Å; D175-K179 WeakPolarHBondContact O-CG 3.33Å; D175-K179 PolarHBondContact O-N 3.45Å; K176-K179 CarbonylContact O-C 3.56Å; K176-K179 PolarHBondContact O-N 3.35Å; I177-K179 VanDerWaalsContact C-N 3.28Å; I177-K179 PolarHBondContact O-N 3.1Å; K179-E181 HydrophobicContact CB-CG 3.89Å; K179-E181 PolarHBondContact O-N 2.87Å
180	K	79.6	Confident	82.2	Confident	196 Å²	196	95.1 Å²	95.1	85%	0.852	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	36.4	-171.6	-58.8	-175.4	175.2	-174	0	112.6	K176 I177 K178	K176-K180 PolarHBondContact O-N 3.28Å; I177-K180 PolarHBondContact O-N 3.31Å; K178-K180 VanDerWaalsContact C-N 3.3Å
181	E	79.2	Confident	82.3	Confident	105 Å²	105	96.7 Å²	96.7	49%	0.491	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-84.7	143.2	174.7	-73.6	176.9	-177.3	0	0	110.1	K176 K179 L183	K176-E181 HydrophobicContact CB-CB 4.39Å; K176-E181 HydrophobicContact CG-CB 4.48Å; K176-E181 PolarHBondContact O-N 3.07Å; K179-E181 HydrophobicContact CB-CG 3.89Å; K179-E181 PolarHBondContact O-N 2.87Å; E181-L183 PolarHBondContact O-N 2.97Å
182	E	71	Confident	82.5	Confident	188 Å²	188	94.8 Å²	94.8	88%	0.879	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-65.2	127.1	174.1	-76.8	179	172.7	0	0	110.5
183	L	77.4	Confident	82.6	Confident	31 Å²	31	90.6 Å²	90.6	16%	0.162	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-79.9	126.8	169.1	-70	162.1	0	0	0	107.8	L163 V173 K176 I177 E181 L185	L163-L183 HydrophobicContact CD1-CD1 3.78Å; V173-L183 HydrophobicContact CG1-CD1 4.38Å; K176-L183 HydrophobicContact CB-CD2 3.9Å; K176-L183 HydrophobicContact CB-CG 4.49Å; K176-L183 HydrophobicContact CD-CD2 3.45Å; K176-L183 VanDerWaalsContact CD-CD2 3.45Å; K176-L183 HydrophobicContact CG-CD2 4.34Å; I177-L183 HydrophobicContact CG1-CD1 4.42Å; E181-L183 PolarHBondContact O-N 2.97Å; L183-L185 HydrophobicContact CB-CD1 4.31Å; L183-L185 HydrophobicContact CB-CD2 4.17Å; L183-L185 HydrophobicContact CB-CG 3.95Å; L183-L185 PolarHBondContact O-N 3.4Å; L183-L185 VanDerWaalsContact O-N 3.07Å
184	K	77	Confident	82.8	Confident	199 Å²	199	95.6 Å²	95.6	87%	0.865	45%	0.45	S	S	*	.			trans	-76.9	95.4	169.5	-66	-173.5	-178.9	-177.1	0	107.9
185	L	81.5	Confident	82.9	Confident	36 Å²	36	96.3 Å²	96.3	19%	0.188	46%	0.457	C	S	.	.			trans	-103.4	149.4	173.3	-56.3	177.2	0	0	0	108.1	L163 F168 L183 T189 L193	L163-L185 HydrophobicContact CD1-CD2 4.42Å; L163-L185 HydrophobicContact CD2-CD1 4.33Å; L163-L185 HydrophobicContact CD2-CD2 3.65Å; F168-L185 HydrophobicContact CE1-CD2 4.08Å; F168-L185 HydrophobicContact CE2-CD2 4.26Å; F168-L185 HydrophobicContact CZ-CD2 3.75Å; L183-L185 HydrophobicContact CB-CD1 4.31Å; L183-L185 HydrophobicContact CB-CD2 4.17Å; L183-L185 HydrophobicContact CB-CG 3.95Å; L183-L185 PolarHBondContact O-N 3.4Å; L183-L185 VanDerWaalsContact O-N 3.07Å; L185-T189 HydrophobicContact CB-CG2 4.46Å; L185-T189 HydrophobicContact CD1-CG2 4.45Å; L185-T189 HydrophobicContact CD2-CG2 4.39Å; L185-L193 HydrophobicContact CD1-CD1 3.52Å
186	D	85.8	Confident	83.2	Confident	74 Å²	74	93.1 Å²	93.1	40%	0.396	44%	0.44	S	S	.	.			trans	-65	157.6	164.2	54	100.1	0	0	0	110.6	E188 T189 Q190	D186-E188 VanDerWaalsContact C-N 3.32Å; D186-E188 PolarHBondContact O-N 3.01Å; D186-T189 PolarHBondContact O-N 3.18Å; D186-T189 VanDerWaalsContact OD1-CB 3.3Å; D186-T189 WeakPolarHBondContact OD1-CB 3.39Å; D186-T189 PolarHBondContact OD1-N 3.21Å; D186-T189 PolarHBondContact OD1-OG1 3.01Å; D186-T189 WeakPolarHBondContact OD2-CB 3.32Å; D186-T189 PolarHBondContact OD2-OG1 3.27Å; D186-Q190 PolarHBondContact O-N 2.72Å
187	E	86.1	Confident	83.4	Confident	153 Å²	153	94.7 Å²	94.7	72%	0.715	45%	0.447	S	S	*	.	H	α-helix	trans	-58.7	-42.9	-176.7	-169.5	168.6	-162.7	0	0	111.6	Q190 E191	E187-Q190 PolarHBondContact O-N 3.15Å; E187-E191 WeakPolarHBondContact O-CG 3.4Å; E187-E191 PolarHBondContact O-N 3.34Å
188	E	84.2	Confident	83.6	Confident	125 Å²	125	95.5 Å²	95.5	58%	0.584	45%	0.451	S	S	*	.	H	α-helix	trans	-59.6	-49.3	177	-179.3	179.3	-178.9	0	0	111.9	D186 Q190 E191 V192	D186-E188 VanDerWaalsContact C-N 3.32Å; D186-E188 PolarHBondContact O-N 3.01Å; E188-Q190 VanDerWaalsContact C-N 3.28Å; E188-Q190 PolarHBondContact O-N 3.11Å; E188-E191 PolarHBondContact O-N 3.13Å; E188-V192 WeakPolarHBondContact O-CG2 3.35Å; E188-V192 PolarHBondContact O-N 3.48Å
189	T	84.6	Confident	83.8	Confident	12 Å²	12	89.1 Å²	89.1	7%	0.074	42%	0.423	C	S	.	.	H	α-helix	trans	-64.2	-33.7	177.9	-61.9	0	0	0	0	112.2	F162 L163 L185 D186 L193	F162-T189 HydrophobicContact CE1-CG2 3.93Å; F162-T189 HydrophobicContact CZ-CG2 4.41Å; L163-T189 HydrophobicContact CD2-CG2 4.05Å; L185-T189 HydrophobicContact CB-CG2 4.46Å; L185-T189 HydrophobicContact CD1-CG2 4.45Å; L185-T189 HydrophobicContact CD2-CG2 4.39Å; D186-T189 PolarHBondContact O-N 3.18Å; D186-T189 VanDerWaalsContact OD1-CB 3.3Å; D186-T189 WeakPolarHBondContact OD1-CB 3.39Å; D186-T189 PolarHBondContact OD1-N 3.21Å; D186-T189 PolarHBondContact OD1-OG1 3.01Å; D186-T189 WeakPolarHBondContact OD2-CB 3.32Å; D186-T189 PolarHBondContact OD2-OG1 3.27Å; T189-L193 HydrophobicContact CG2-CD1 4.43Å; T189-L193 WeakPolarHBondContact O-CB 3.11Å; T189-L193 WeakPolarHBondContact O-CG 3.27Å; T189-L193 PolarHBondContact O-N 3.36Å; T189-L193 VanDerWaalsContact O-N 3.09Å
190	Q	86.3	Confident	84.1	Confident	97 Å²	97	83 Å²	83	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-69.1	-45.2	176	-174.3	178.1	-30.2	0	0	111.6	D186 E187 E188 V192 L193 E194	D186-Q190 PolarHBondContact O-N 2.72Å; E187-Q190 PolarHBondContact O-N 3.15Å; E188-Q190 VanDerWaalsContact C-N 3.28Å; E188-Q190 PolarHBondContact O-N 3.11Å; Q190-V192 VanDerWaalsContact C-N 3.34Å; Q190-V192 PolarHBondContact O-N 3.27Å; Q190-L193 PolarHBondContact O-N 3.06Å; Q190-E194 PolarHBondContact NE2-OE1 2.9Å; Q190-E194 WeakPolarHBondContact O-CG 3.36Å; Q190-E194 PolarHBondContact O-N 2.89Å
191	E	85.7	Confident	84.6	Confident	112 Å²	112	77.9 Å²	77.9	52%	0.523	37%	0.374	S	S	.	.	H	α-helix	trans	-59.1	-44.9	176.5	-73.2	177.8	176.7	0	0	111.5	E187 E188 L193 E194 S195	E187-E191 WeakPolarHBondContact O-CG 3.4Å; E187-E191 PolarHBondContact O-N 3.34Å; E188-E191 PolarHBondContact O-N 3.13Å; E191-L193 PolarHBondContact O-N 3.35Å; E191-E194 PolarHBondContact O-N 2.77Å; E191-S195 WeakPolarHBondContact O-CB 3.45Å; E191-S195 PolarHBondContact O-N 2.98Å
192	V	85.3	Confident	85	Confident	54 Å²	54	77.2 Å²	77.2	33%	0.327	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-45.6	175.5	172.5	0	0	0	0	110.9	F162 E188 Q190 E194 S195 L196	F162-V192 HydrophobicContact CE2-CG1 4.12Å; F162-V192 HydrophobicContact CZ-CG1 3.81Å; E188-V192 WeakPolarHBondContact O-CG2 3.35Å; E188-V192 PolarHBondContact O-N 3.48Å; Q190-V192 VanDerWaalsContact C-N 3.34Å; Q190-V192 PolarHBondContact O-N 3.27Å; V192-E194 VanDerWaalsContact C-N 3.35Å; V192-E194 PolarHBondContact O-N 2.91Å; V192-S195 PolarHBondContact O-N 2.94Å; V192-L196 HydrophobicContact CG1-CD1 3.76Å; V192-L196 HydrophobicContact CG1-CG 4.21Å; V192-L196 WeakPolarHBondContact O-CB 3.46Å; V192-L196 VanDerWaalsContact O-CG 3.24Å; V192-L196 WeakPolarHBondContact O-CG 3.37Å; V192-L196 PolarHBondContact O-N 2.79Å
193	L	86.7	Confident	85.9	Confident	12 Å²	12	68.3 Å²	68.3	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-38.2	178.1	-83.5	172.2	0	0	0	113.2	W155 K159 F162 L163 L185 T189 Q190 E191 K197	W155-L193 HydrophobicContact CH2-CD2 4.5Å; W155-L193 HydrophobicContact CZ2-CD2 4.18Å; K159-L193 HydrophobicContact CG-CD2 4.22Å; F162-L193 HydrophobicContact CD1-CD1 4.46Å; F162-L193 HydrophobicContact CD1-CD2 3.49Å; F162-L193 VanDerWaalsContact CD1-CD2 3.49Å; F162-L193 HydrophobicContact CD1-CG 3.98Å; F162-L193 HydrophobicContact CE1-CD1 4.18Å; F162-L193 HydrophobicContact CE1-CD2 3.66Å; F162-L193 HydrophobicContact CE1-CG 3.62Å; F162-L193 HydrophobicContact CG-CD2 4.33Å; L163-L193 HydrophobicContact CD2-CD1 4.38Å; L185-L193 HydrophobicContact CD1-CD1 3.52Å; T189-L193 HydrophobicContact CG2-CD1 4.43Å; T189-L193 WeakPolarHBondContact O-CB 3.11Å; T189-L193 WeakPolarHBondContact O-CG 3.27Å; T189-L193 PolarHBondContact O-N 3.36Å; T189-L193 VanDerWaalsContact O-N 3.09Å; Q190-L193 PolarHBondContact O-N 3.06Å; E191-L193 PolarHBondContact O-N 3.35Å; L193-K197 VanDerWaalsContact O-CB 3.27Å; L193-K197 WeakPolarHBondContact O-CB 3.42Å; L193-K197 PolarHBondContact O-N 3.37Å
194	E	87.6	Confident	86.5	Confident	109 Å²	109	67.3 Å²	67.3	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-44	176.6	-72.5	178.5	-166.7	0	0	111	Q190 E191 V192 K197 D198	Q190-E194 PolarHBondContact NE2-OE1 2.9Å; Q190-E194 WeakPolarHBondContact O-CG 3.36Å; Q190-E194 PolarHBondContact O-N 2.89Å; E191-E194 PolarHBondContact O-N 2.77Å; V192-E194 VanDerWaalsContact C-N 3.35Å; V192-E194 PolarHBondContact O-N 2.91Å; E194-K197 WeakPolarHBondContact O-CB 3.33Å; E194-K197 PolarHBondContact O-N 2.88Å; E194-D198 PolarHBondContact O-N 2.99Å
195	S	85	Confident	86.7	Confident	57 Å²	57	60.6 Å²	60.6	40%	0.399	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-47.4	174.3	-178.3	0	0	0	0	112.4	E191 V192 K197 D198 R199	E191-S195 WeakPolarHBondContact O-CB 3.45Å; E191-S195 PolarHBondContact O-N 2.98Å; V192-S195 PolarHBondContact O-N 2.94Å; S195-K197 VanDerWaalsContact C-N 3.27Å; S195-K197 PolarHBondContact O-N 3Å; S195-D198 PolarHBondContact O-N 3.03Å; S195-R199 PolarHBondContact O-N 2.75Å
196	L	88.4	Confident	86.7	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-35.8	176.7	-70.1	173.1	0	0	0	111.8	L53 P54 W155 Y158 F162 V192 R199 W200 F220	L53-L196 HydrophobicContact CD2-CD1 3.7Å; L53-L196 HydrophobicContact CD2-CD2 4.4Å; P54-L196 HydrophobicContact CG-CD2 3.68Å; W155-L196 HydrophobicContact CH2-CB 3.83Å; W155-L196 HydrophobicContact CZ3-CB 4.34Å; Y158-L196 HydrophobicContact CE1-CD1 4.2Å; F162-L196 HydrophobicContact CD2-CD1 4.25Å; F162-L196 HydrophobicContact CE2-CD1 4.14Å; V192-L196 HydrophobicContact CG1-CD1 3.76Å; V192-L196 HydrophobicContact CG1-CG 4.21Å; V192-L196 WeakPolarHBondContact O-CB 3.46Å; V192-L196 VanDerWaalsContact O-CG 3.24Å; V192-L196 WeakPolarHBondContact O-CG 3.37Å; V192-L196 PolarHBondContact O-N 2.79Å; L196-R199 PolarHBondContact O-N 2.85Å; L196-W200 WeakPolarHBondContact O-CB 3.44Å; L196-W200 PolarHBondContact O-N 2.96Å; L196-F220 HydrophobicContact CD2-CE2 4.43Å; L196-F220 HydrophobicContact CD2-CZ 4.01Å
197	K	89.8	Confident	86.5	Confident	87 Å²	87	66.7 Å²	66.7	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-42.1	178.4	-163.7	-176.1	-175.3	-172.3	0	111.7	W155 L193 E194 S195 R199 W200 F201	W155-K197 HydrophobicContact CD2-CG 4.15Å; W155-K197 HydrophobicContact CE3-CG 4.47Å; W155-K197 HydrophobicContact CH2-CB 3.59Å; W155-K197 HydrophobicContact CH2-CG 4.14Å; W155-K197 HydrophobicContact CZ2-CB 3.5Å; W155-K197 VanDerWaalsContact CZ2-CB 3.5Å; W155-K197 HydrophobicContact CZ2-CD 4.3Å; W155-K197 HydrophobicContact CZ2-CG 3.78Å; W155-K197 HydrophobicContact CZ3-CB 4.2Å; W155-K197 HydrophobicContact CZ3-CG 4.47Å; L193-K197 VanDerWaalsContact O-CB 3.27Å; L193-K197 WeakPolarHBondContact O-CB 3.42Å; L193-K197 PolarHBondContact O-N 3.37Å; E194-K197 WeakPolarHBondContact O-CB 3.33Å; E194-K197 PolarHBondContact O-N 2.88Å; S195-K197 VanDerWaalsContact C-N 3.27Å; S195-K197 PolarHBondContact O-N 3Å; K197-R199 VanDerWaalsContact C-N 3.31Å; K197-W200 WeakPolarHBondContact O-CB 3.28Å; K197-W200 PolarHBondContact O-N 2.83Å; K197-F201 HydrophobicContact CD-CE2 3.98Å; K197-F201 HydrophobicContact CG-CD2 4.14Å; K197-F201 HydrophobicContact CG-CE2 3.62Å; K197-F201 HydrophobicContact CG-CZ 4.37Å; K197-F201 WeakPolarHBondContact O-CD2 3.36Å; K197-F201 PolarHBondContact O-N 2.77Å; K197-F201 VanDerWaalsContact O-N 3.11Å
198	D	87.8	Confident	86.4	Confident	51 Å²	51	63 Å²	63	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-58.9	-46.7	174.1	-82.7	-0.1	0	0	0	110.1	R32 E194 S195 W200 F201 Q202	R32-D198 IonicContact CZ-OD2 2.94Å; R32-D198 IonicContact NH1-OD2 3.97Å; R32-D198 PolarHBondContact NH1-OD2 3.16Å; R32-D198 IonicContact NH2-OD2 3Å; R32-D198 PolarHBondContact NH2-OD2 2.94Å; E194-D198 PolarHBondContact O-N 2.99Å; S195-D198 PolarHBondContact O-N 3.03Å; D198-W200 PolarHBondContact O-N 2.76Å; D198-F201 PolarHBondContact O-N 3.02Å; D198-Q202 WeakPolarHBondContact O-CG 3.41Å; D198-Q202 PolarHBondContact O-N 3.07Å
199	R	87.3	Confident	86.6	Confident	29 Å²	29	60 Å²	60	11%	0.109	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-43.7	175.5	-174.6	-175.3	-85.7	-150.3	1.8	112.3	S195 L196 K197 F201 Q202 A203 F220 M229	S195-R199 PolarHBondContact O-N 2.75Å; L196-R199 PolarHBondContact O-N 2.85Å; K197-R199 VanDerWaalsContact C-N 3.31Å; R199-F201 VanDerWaalsContact C-N 3.3Å; R199-F201 PolarHBondContact O-N 3.4Å; R199-Q202 WeakPolarHBondContact O-CB 3.46Å; R199-Q202 PolarHBondContact O-N 3.18Å; R199-A203 PolarHBondContact O-N 2.66Å; R199-F220 HydrophobicContact CB-CD2 4.33Å; R199-F220 HydrophobicContact CB-CE2 4.19Å; R199-F220 WeakPolarHBondContact CD-O 3.49Å; R199-F220 HydrophobicContact CG-CD2 3.85Å; R199-F220 HydrophobicContact CG-CE2 4.11Å; R199-F220 PolarHBondContact NH1-O 2.75Å; R199-F220 VanDerWaalsContact NH1-O 3.12Å; R199-M229 HydrophobicContact CG-CE 4.35Å; R199-M229 HydrophobicContact CG-SD 4.35Å
200	W	90.4	Very high	86.8	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-54.3	-46	177.4	-176.2	-77.4	0	0	0	111.9	V153 W155 Y158 L196 K197 D198 Q202 A203 D204 L212 F217 F220	V153-W200 HydrophobicContact CB-CH2 3.97Å; V153-W200 HydrophobicContact CG1-CH2 3.71Å; V153-W200 WeakPolarHBondContact O-CZ2 3.44Å; W155-W200 HydrophobicContact CE3-CB 3.84Å; W155-W200 AromaticContact CE3-CD2 3.54Å; W155-W200 HydrophobicContact CE3-CD2 3.54Å; W155-W200 AromaticContact CE3-CE3 3.71Å; W155-W200 HydrophobicContact CE3-CE3 3.71Å; W155-W200 AromaticContact CE3-CG 3.61Å; W155-W200 HydrophobicContact CE3-CG 3.61Å; W155-W200 HydrophobicContact CE3-CZ3 4.47Å; W155-W200 HydrophobicContact CZ3-CB 3.79Å; W155-W200 HydrophobicContact CZ3-CD2 4.08Å; W155-W200 AromaticContact CZ3-CE3 3.95Å; W155-W200 HydrophobicContact CZ3-CE3 3.95Å; W155-W200 HydrophobicContact CZ3-CG 4.05Å; Y158-W200 HydrophobicContact CD1-CE3 4.43Å; Y158-W200 HydrophobicContact CD1-CZ3 4.25Å; Y158-W200 AromaticContact CD2-CZ3 3.99Å; Y158-W200 HydrophobicContact CD2-CZ3 3.99Å; Y158-W200 HydrophobicContact CG-CE3 4.31Å; Y158-W200 HydrophobicContact CG-CH2 4.45Å; Y158-W200 AromaticContact CG-CZ3 3.69Å; Y158-W200 HydrophobicContact CG-CZ3 3.69Å; L196-W200 WeakPolarHBondContact O-CB 3.44Å; L196-W200 PolarHBondContact O-N 2.96Å; K197-W200 WeakPolarHBondContact O-CB 3.28Å; K197-W200 PolarHBondContact O-N 2.83Å; D198-W200 PolarHBondContact O-N 2.76Å; W200-Q202 PolarHBondContact O-N 3.36Å; W200-A203 PolarHBondContact O-N 3.42Å; W200-A203 VanDerWaalsContact O-N 3.13Å; W200-D204 PolarHBondContact O-N 3.34Å; W200-L212 HydrophobicContact CD2-CD1 3.51Å; W200-L212 HydrophobicContact CD2-CG 3.94Å; W200-L212 HydrophobicContact CE3-CD1 3.46Å; W200-L212 VanDerWaalsContact CE3-CD1 3.46Å; W200-L212 HydrophobicContact CE3-CG 4.28Å; W200-L212 HydrophobicContact CG-CD1 4.22Å; W200-L212 HydrophobicContact CH2-CB 4.25Å; W200-L212 HydrophobicContact CH2-CD1 3.72Å; W200-L212 HydrophobicContact CH2-CG 3.9Å; W200-L212 HydrophobicContact CZ2-CB 4.13Å; W200-L212 HydrophobicContact CZ2-CD1 3.79Å; W200-L212 HydrophobicContact CZ2-CG 3.55Å; W200-L212 HydrophobicContact CZ3-CD1 3.57Å; W200-L212 HydrophobicContact CZ3-CG 4.26Å; W200-F217 HydrophobicContact CZ3-CD2 4.28Å; W200-F217 HydrophobicContact CZ3-CE2 4.29Å; W200-F220 HydrophobicContact CB-CD2 4.43Å; W200-F220 HydrophobicContact CB-CE2 4.28Å; W200-F220 HydrophobicContact CE3-CD2 4.32Å; W200-F220 HydrophobicContact CE3-CE1 4.47Å; W200-F220 HydrophobicContact CE3-CE2 4.18Å; W200-F220 HydrophobicContact CE3-CZ 4.25Å
201	F	89.4	Confident	87	Confident	89 Å²	89	66.2 Å²	66.2	39%	0.39	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-22.8	177.5	-73.6	-59.8	0	0	0	114.2	K197 D198 R199	K197-F201 HydrophobicContact CD-CE2 3.98Å; K197-F201 HydrophobicContact CG-CD2 4.14Å; K197-F201 HydrophobicContact CG-CE2 3.62Å; K197-F201 HydrophobicContact CG-CZ 4.37Å; K197-F201 WeakPolarHBondContact O-CD2 3.36Å; K197-F201 PolarHBondContact O-N 2.77Å; K197-F201 VanDerWaalsContact O-N 3.11Å; D198-F201 PolarHBondContact O-N 3.02Å; R199-F201 VanDerWaalsContact C-N 3.3Å; R199-F201 PolarHBondContact O-N 3.4Å
202	Q	88.4	Confident	87.4	Confident	90 Å²	90	60.9 Å²	60.9	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-85.4	-25.1	175.5	-55.9	-61.6	-40.6	0	0	112.2	D198 R199 W200 M229 Y232	D198-Q202 WeakPolarHBondContact O-CG 3.41Å; D198-Q202 PolarHBondContact O-N 3.07Å; R199-Q202 WeakPolarHBondContact O-CB 3.46Å; R199-Q202 PolarHBondContact O-N 3.18Å; W200-Q202 PolarHBondContact O-N 3.36Å; Q202-M229 HydrophobicContact CB-CE 3.95Å; Q202-M229 HydrophobicContact CB-SD 4.2Å; Q202-Y232 HydrophobicContact CB-CD1 4.22Å; Q202-Y232 HydrophobicContact CB-CD2 4.19Å; Q202-Y232 HydrophobicContact CB-CE1 4.47Å; Q202-Y232 HydrophobicContact CB-CE2 4.46Å; Q202-Y232 HydrophobicContact CB-CG 4.05Å; Q202-Y232 HydrophobicContact CG-CD1 4.1Å; Q202-Y232 HydrophobicContact CG-CD2 3.52Å; Q202-Y232 HydrophobicContact CG-CE1 4Å; Q202-Y232 HydrophobicContact CG-CE2 3.42Å; Q202-Y232 VanDerWaalsContact CG-CE2 3.42Å; Q202-Y232 HydrophobicContact CG-CG 3.86Å
203	A	89.6	Confident	87.7	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-76.3	-30.5	177	0	0	0	0	0	112.4	R199 W200 N205 L212 F220 M229	R199-A203 PolarHBondContact O-N 2.66Å; W200-A203 PolarHBondContact O-N 3.42Å; W200-A203 VanDerWaalsContact O-N 3.13Å; A203-N205 PolarHBondContact O-N 3Å; A203-N205 PolarHBondContact O-ND2 3.21Å; A203-N205 VanDerWaalsContact O-ND2 3.16Å; A203-L212 HydrophobicContact CB-CD1 4.1Å; A203-L212 HydrophobicContact CB-CD2 3.87Å; A203-F220 HydrophobicContact CB-CB 3.78Å; A203-M229 VanDerWaalsContact CA-CE 3.42Å; A203-M229 HydrophobicContact CB-CE 3.52Å; A203-M229 VanDerWaalsContact N-CE 3.33Å
204	D	89.8	Confident	87.9	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.059	34%	0.34	C	S	.	.	S	Bend	trans	-66.1	87.8	175.6	-175.8	13.4	0	0	0	110.1	W200 A208 D209 Q210 L212	W200-D204 PolarHBondContact O-N 3.34Å; D204-A208 VanDerWaalsContact OD1-CA 3.24Å; D204-A208 WeakPolarHBondContact OD1-CA 3.41Å; D204-A208 WeakPolarHBondContact OD2-CA 3.45Å; D204-D209 PolarHBondContact OD1-N 2.89Å; D204-D209 VanDerWaalsContact OD1-N 3.09Å; D204-D209 PolarHBondContact OD2-N 3.44Å; D204-Q210 VanDerWaalsContact OD2-CA 3.29Å; D204-Q210 WeakPolarHBondContact OD2-CA 3.42Å; D204-Q210 PolarHBondContact OD2-N 3.29Å; D204-L212 HydrophobicContact CB-CD2 3.81Å; D204-L212 VanDerWaalsContact N-CD2 3.35Å
205	N	81.9	Confident	88.1	Confident	57 Å²	57	66.3 Å²	66.3	31%	0.305	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-75.9	156.2	-174.7	-78.2	-64.8	0	0	0	109.8	A203 P207 A208 E216	A203-N205 PolarHBondContact O-N 3Å; A203-N205 PolarHBondContact O-ND2 3.21Å; A203-N205 VanDerWaalsContact O-ND2 3.16Å; N205-P207 CarbonylContact O-C 3.6Å; N205-A208 PolarHBondContact O-N 2.93Å; N205-E216 WeakPolarHBondContact CB-OE1 3.46Å; N205-E216 PolarHBondContact N-OE1 3.13Å
206	P	80.4	Confident	88.4	Confident	124 Å²	124	64.5 Å²	64.5	81%	0.805	34%	0.335	S	S	*	.	S	Bend	trans	-57.8	125.6	179.7	-26.9	35.8	0	0	0	112.7
207	P	81.5	Confident	88.5	Confident	115 Å²	115	63.9 Å²	63.9	75%	0.747	33%	0.331	S	S	*	.	S	Bend	cis	-84.2	120.2	9.8	32.9	-32	0	0	0	114	N205 D209	N205-P207 CarbonylContact O-C 3.6Å; P207-D209 PolarHBondContact O-N 3.43Å
208	A	85.3	Confident	88.6	Confident	76 Å²	76	60.2 Å²	60.2	63%	0.628	32%	0.316	S	S	*	.			trans	-64	105.5	178.1	0	0	0	0	0	111.3	D204 N205	D204-A208 VanDerWaalsContact OD1-CA 3.24Å; D204-A208 WeakPolarHBondContact OD1-CA 3.41Å; D204-A208 WeakPolarHBondContact OD2-CA 3.45Å; N205-A208 PolarHBondContact O-N 2.93Å
209	D	87.9	Confident	88.7	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.332	31%	0.306	S	S	.	.			trans	-116.5	5.7	-173.8	88.5	-20.1	0	0	0	113.6	D204 P207 R211	D204-D209 PolarHBondContact OD1-N 2.89Å; D204-D209 VanDerWaalsContact OD1-N 3.09Å; D204-D209 PolarHBondContact OD2-N 3.44Å; P207-D209 PolarHBondContact O-N 3.43Å; D209-R211 PolarHBondContact O-N 3.44Å; D209-R211 WeakPolarHBondContact OD1-CB 3.26Å; D209-R211 VanDerWaalsContact OD1-CG 3.32Å; D209-R211 WeakPolarHBondContact OD1-CG 3.37Å; D209-R211 PolarHBondContact OD1-N 3.17Å; D209-R211 WeakPolarHBondContact OD2-CD 3.18Å; D209-R211 IonicContact OD2-NE 2.9Å; D209-R211 PolarHBondContact OD2-NE 2.84Å
210	Q	87.5	Confident	88.8	Confident	135 Å²	135	56.8 Å²	56.8	63%	0.631	30%	0.3	S	S	*	.	S	Bend	trans	65.8	20.4	-179.8	-54.3	-179.5	-5.2	0	0	114	D204	D204-Q210 VanDerWaalsContact OD2-CA 3.29Å; D204-Q210 WeakPolarHBondContact OD2-CA 3.42Å; D204-Q210 PolarHBondContact OD2-N 3.29Å
211	R	92.3	Very high	88.7	Confident	104 Å²	104	57 Å²	57	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	162.5	170.8	-32.3	171.6	-154.5	-80.6	-17.8	107	Y152 V153 D209	Y152-R211 HydrophobicContact CD1-CB 4.34Å; V153-R211 CarbonylContact O-C 3.6Å; V153-R211 VanDerWaalsContact O-CA 3.3Å; V153-R211 WeakPolarHBondContact O-CA 3.43Å; D209-R211 PolarHBondContact O-N 3.44Å; D209-R211 WeakPolarHBondContact OD1-CB 3.26Å; D209-R211 VanDerWaalsContact OD1-CG 3.32Å; D209-R211 WeakPolarHBondContact OD1-CG 3.37Å; D209-R211 PolarHBondContact OD1-N 3.17Å; D209-R211 WeakPolarHBondContact OD2-CD 3.18Å; D209-R211 IonicContact OD2-NE 2.9Å; D209-R211 PolarHBondContact OD2-NE 2.84Å
212	L	92.6	Very high	88.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129	169.8	-59	-179.8	0	0	0	108.8	Y152 V153 W200 A203 D204 E216 F217 F220	Y152-L212 CarbonylContact C-O 3.15Å; Y152-L212 WeakPolarHBondContact CA-O 3.43Å; V153-L212 PolarHBondContact N-O 3.19Å; V153-L212 PolarHBondContact O-N 3.32Å; W200-L212 HydrophobicContact CD2-CD1 3.51Å; W200-L212 HydrophobicContact CD2-CG 3.94Å; W200-L212 HydrophobicContact CE3-CD1 3.46Å; W200-L212 VanDerWaalsContact CE3-CD1 3.46Å; W200-L212 HydrophobicContact CE3-CG 4.28Å; W200-L212 HydrophobicContact CG-CD1 4.22Å; W200-L212 HydrophobicContact CH2-CB 4.25Å; W200-L212 HydrophobicContact CH2-CD1 3.72Å; W200-L212 HydrophobicContact CH2-CG 3.9Å; W200-L212 HydrophobicContact CZ2-CB 4.13Å; W200-L212 HydrophobicContact CZ2-CD1 3.79Å; W200-L212 HydrophobicContact CZ2-CG 3.55Å; W200-L212 HydrophobicContact CZ3-CD1 3.57Å; W200-L212 HydrophobicContact CZ3-CG 4.26Å; A203-L212 HydrophobicContact CB-CD1 4.1Å; A203-L212 HydrophobicContact CB-CD2 3.87Å; D204-L212 HydrophobicContact CB-CD2 3.81Å; D204-L212 VanDerWaalsContact N-CD2 3.35Å; L212-E216 WeakPolarHBondContact CA-OE2 3.1Å; L212-E216 HydrophobicContact CB-CB 3.93Å; L212-E216 HydrophobicContact CD2-CB 3.81Å; L212-E216 HydrophobicContact CG-CB 4.37Å; L212-F217 HydrophobicContact CB-CB 4.22Å; L212-F217 HydrophobicContact CD1-CD2 4.29Å; L212-F220 HydrophobicContact CD1-CB 3.87Å; L212-F220 HydrophobicContact CD1-CG 4.17Å
213	D	92.3	Very high	88.5	Confident	52 Å²	52	49.4 Å²	49.4	28%	0.278	27%	0.268	S	S	.	.			trans	-74.6	-178.6	164.2	73.3	26.3	0	0	0	111.8	F142 Y152 E215 E216 F217	F142-D213 VanDerWaalsContact CE2-C 3.48Å; Y152-D213 HydrophobicContact CD1-CB 4.11Å; Y152-D213 HydrophobicContact CE1-CB 4.09Å; D213-E215 VanDerWaalsContact C-N 3.3Å; D213-E215 PolarHBondContact O-N 2.89Å; D213-E215 WeakPolarHBondContact OD1-CA 3.34Å; D213-E215 WeakPolarHBondContact OD1-CB 3.48Å; D213-E215 PolarHBondContact OD1-N 2.91Å; D213-E216 PolarHBondContact N-OE2 3.46Å; D213-E216 PolarHBondContact O-N 2.92Å; D213-E216 WeakPolarHBondContact OD1-CG 3.42Å; D213-E216 PolarHBondContact OD1-N 3.19Å; D213-F217 WeakPolarHBondContact O-CB 3.38Å; D213-F217 PolarHBondContact O-N 3.07Å
214	E	91	Very high	88.3	Confident	84 Å²	84	49.9 Å²	49.9	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-33.8	-178.1	-170.8	176.2	174.1	0	0	113	N138 F142 L218	N138-E214 PolarHBondContact ND2-O 2.97Å; N138-E214 VanDerWaalsContact ND2-O 3.11Å; F142-E214 HydrophobicContact CD1-CB 4.5Å; F142-E214 HydrophobicContact CD2-CB 4.24Å; F142-E214 HydrophobicContact CD2-CG 4.44Å; F142-E214 HydrophobicContact CE1-CB 4.43Å; F142-E214 HydrophobicContact CE2-CB 4.15Å; F142-E214 HydrophobicContact CG-CB 4.41Å; F142-E214 HydrophobicContact CG-CG 4.27Å; F142-E214 HydrophobicContact CZ-CB 4.25Å; E214-L218 WeakPolarHBondContact O-CB 3.3Å; E214-L218 PolarHBondContact O-N 3.08Å
215	E	90.7	Very high	88	Confident	153 Å²	153	52.6 Å²	52.6	72%	0.715	28%	0.282	S	S	*	.	H	α-helix	trans	-78.8	-37.3	179.9	-64.2	-174.5	175.1	0	0	111.6	D213 L218 S219	D213-E215 VanDerWaalsContact C-N 3.3Å; D213-E215 PolarHBondContact O-N 2.89Å; D213-E215 WeakPolarHBondContact OD1-CA 3.34Å; D213-E215 WeakPolarHBondContact OD1-CB 3.48Å; D213-E215 PolarHBondContact OD1-N 2.91Å; E215-L218 WeakPolarHBondContact O-CB 3.49Å; E215-L218 PolarHBondContact O-N 3.06Å; E215-S219 PolarHBondContact O-N 3.38Å; E215-S219 PolarHBondContact O-OG 2.96Å
216	E	92.1	Very high	88.2	Confident	19 Å²	19	50.8 Å²	50.8	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-71.4	-38.8	175	-66.3	177	141.1	0	0	111.5	N205 L212 D213 L218 S219 F220	N205-E216 WeakPolarHBondContact CB-OE1 3.46Å; N205-E216 PolarHBondContact N-OE1 3.13Å; L212-E216 WeakPolarHBondContact CA-OE2 3.1Å; L212-E216 HydrophobicContact CB-CB 3.93Å; L212-E216 HydrophobicContact CD2-CB 3.81Å; L212-E216 HydrophobicContact CG-CB 4.37Å; D213-E216 PolarHBondContact N-OE2 3.46Å; D213-E216 PolarHBondContact O-N 2.92Å; D213-E216 WeakPolarHBondContact OD1-CG 3.42Å; D213-E216 PolarHBondContact OD1-N 3.19Å; E216-L218 VanDerWaalsContact C-N 3.34Å; E216-S219 CarbonylContact O-C 3.57Å; E216-S219 WeakPolarHBondContact O-CB 3.48Å; E216-S219 PolarHBondContact O-N 2.85Å; E216-S219 VanDerWaalsContact O-N 3.13Å; E216-F220 PolarHBondContact O-N 3.21Å
217	F	91.6	Very high	88.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-37.6	173.3	-170	-107.3	0	0	0	111.5	N138 F142 V145 Y158 W200 L212 D213 S219 F220 L221	N138-F217 WeakPolarHBondContact OD1-CD1 3.36Å; F142-F217 HydrophobicContact CB-CD1 4.07Å; F142-F217 HydrophobicContact CB-CE1 4.42Å; F142-F217 HydrophobicContact CD2-CB 3.72Å; F142-F217 AromaticContact CD2-CD1 3.74Å; F142-F217 HydrophobicContact CD2-CD1 3.74Å; F142-F217 AromaticContact CD2-CG 3.86Å; F142-F217 HydrophobicContact CD2-CG 3.86Å; F142-F217 HydrophobicContact CE2-CB 4.04Å; F142-F217 HydrophobicContact CE2-CG 4.48Å; F142-F217 HydrophobicContact CG-CD1 4.42Å; V145-F217 HydrophobicContact CG1-CZ 4.42Å; V145-F217 HydrophobicContact CG2-CE1 4.02Å; V145-F217 HydrophobicContact CG2-CE2 4.04Å; V145-F217 HydrophobicContact CG2-CZ 3.68Å; Y158-F217 AromaticContact CD2-CE2 3.92Å; Y158-F217 HydrophobicContact CD2-CE2 3.92Å; Y158-F217 HydrophobicContact CD2-CZ 4.42Å; Y158-F217 HydrophobicContact CE2-CE2 4.12Å; Y158-F217 HydrophobicContact CE2-CZ 4.4Å; W200-F217 HydrophobicContact CZ3-CD2 4.28Å; W200-F217 HydrophobicContact CZ3-CE2 4.29Å; L212-F217 HydrophobicContact CB-CB 4.22Å; L212-F217 HydrophobicContact CD1-CD2 4.29Å; D213-F217 WeakPolarHBondContact O-CB 3.38Å; D213-F217 PolarHBondContact O-N 3.07Å; F217-S219 VanDerWaalsContact C-N 3.3Å; F217-S219 PolarHBondContact O-N 2.93Å; F217-F220 HydrophobicContact CD2-CD1 4.11Å; F217-F220 AromaticContact CE2-CD1 3.95Å; F217-F220 HydrophobicContact CE2-CD1 3.95Å; F217-F220 HydrophobicContact CE2-CE1 4.27Å; F217-F220 WeakPolarHBondContact O-CB 3.41Å; F217-F220 PolarHBondContact O-N 3.25Å; F217-F220 VanDerWaalsContact O-N 3.16Å; F217-L221 HydrophobicContact CD1-CD1 4.1Å; F217-L221 HydrophobicContact CE1-CD1 3.49Å; F217-L221 VanDerWaalsContact CE1-CD1 3.49Å; F217-L221 HydrophobicContact CE1-CG 4.12Å; F217-L221 HydrophobicContact CZ-CD1 3.9Å; F217-L221 HydrophobicContact CZ-CD2 4.41Å; F217-L221 HydrophobicContact CZ-CG 4.19Å; F217-L221 PolarHBondContact O-N 2.89Å
218	L	90.6	Very high	88.8	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-44.6	169.3	178.9	65.8	0	0	0	110.8	M135 N138 E214 E215 E216 F220 L221 H222 H225	M135-L218 HydrophobicContact CG-CD1 4.47Å; M135-L218 HydrophobicContact CG-CD2 3.7Å; N138-L218 HydrophobicContact CB-CB 4.46Å; N138-L218 HydrophobicContact CB-CD1 3.58Å; N138-L218 VanDerWaalsContact OD1-CA 3.26Å; N138-L218 WeakPolarHBondContact OD1-CA 3.14Å; N138-L218 PolarHBondContact OD1-N 3.05Å; E214-L218 WeakPolarHBondContact O-CB 3.3Å; E214-L218 PolarHBondContact O-N 3.08Å; E215-L218 WeakPolarHBondContact O-CB 3.49Å; E215-L218 PolarHBondContact O-N 3.06Å; E216-L218 VanDerWaalsContact C-N 3.34Å; L218-F220 PolarHBondContact O-N 2.97Å; L218-L221 PolarHBondContact O-N 3.4Å; L218-H222 HydrophobicContact CD1-CB 4.16Å; L218-H222 CarbonylContact O-C 3.57Å; L218-H222 WeakPolarHBondContact O-CA 3.5Å; L218-H222 WeakPolarHBondContact O-CB 3.45Å; L218-H222 PolarHBondContact O-N 2.93Å; L218-H225 HydrophobicContact CD2-CB 4.43Å; L218-H225 WeakPolarHBondContact CD2-ND1 3.23Å; L218-H225 HydrophobicContact CG-CB 4.39Å
219	S	90	Very high	88.9	Confident	8 Å²	8	45.2 Å²	45.2	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-28.5	178	-55.4	0	0	0	0	112.9	E215 E216 F217 P223 S226	E215-S219 PolarHBondContact O-N 3.38Å; E215-S219 PolarHBondContact O-OG 2.96Å; E216-S219 CarbonylContact O-C 3.57Å; E216-S219 WeakPolarHBondContact O-CB 3.48Å; E216-S219 PolarHBondContact O-N 2.85Å; E216-S219 VanDerWaalsContact O-N 3.13Å; F217-S219 VanDerWaalsContact C-N 3.3Å; F217-S219 PolarHBondContact O-N 2.93Å; S219-P223 WeakPolarHBondContact O-CA 3.25Å; S219-S226 WeakPolarHBondContact OG-CB 3.3Å
220	F	90.2	Very high	88.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.5	-43.9	175.7	167.2	-101	0	0	0	112.2	P54 Y158 L196 R199 W200 A203 L212 E216 F217 L218	P54-F220 HydrophobicContact CG-CD1 4.27Å; P54-F220 HydrophobicContact CG-CE1 3.73Å; P54-F220 HydrophobicContact CG-CE2 4.16Å; P54-F220 HydrophobicContact CG-CZ 3.67Å; Y158-F220 HydrophobicContact CD2-CE1 4.44Å; Y158-F220 HydrophobicContact CE1-CE1 4.31Å; Y158-F220 AromaticContact CE1-CZ 3.99Å; Y158-F220 HydrophobicContact CE1-CZ 3.99Å; Y158-F220 AromaticContact CE2-CE1 3.67Å; Y158-F220 HydrophobicContact CE2-CE1 3.67Å; Y158-F220 HydrophobicContact CE2-CZ 4.19Å; Y158-F220 AromaticContact CZ-CE1 3.61Å; Y158-F220 AromaticContact CZ-CZ 3.68Å; L196-F220 HydrophobicContact CD2-CE2 4.43Å; L196-F220 HydrophobicContact CD2-CZ 4.01Å; R199-F220 HydrophobicContact CB-CD2 4.33Å; R199-F220 HydrophobicContact CB-CE2 4.19Å; R199-F220 WeakPolarHBondContact CD-O 3.49Å; R199-F220 HydrophobicContact CG-CD2 3.85Å; R199-F220 HydrophobicContact CG-CE2 4.11Å; R199-F220 PolarHBondContact NH1-O 2.75Å; R199-F220 VanDerWaalsContact NH1-O 3.12Å; W200-F220 HydrophobicContact CB-CD2 4.43Å; W200-F220 HydrophobicContact CB-CE2 4.28Å; W200-F220 HydrophobicContact CE3-CD2 4.32Å; W200-F220 HydrophobicContact CE3-CE1 4.47Å; W200-F220 HydrophobicContact CE3-CE2 4.18Å; W200-F220 HydrophobicContact CE3-CZ 4.25Å; A203-F220 HydrophobicContact CB-CB 3.78Å; L212-F220 HydrophobicContact CD1-CB 3.87Å; L212-F220 HydrophobicContact CD1-CG 4.17Å; E216-F220 PolarHBondContact O-N 3.21Å; F217-F220 HydrophobicContact CD2-CD1 4.11Å; F217-F220 AromaticContact CE2-CD1 3.95Å; F217-F220 HydrophobicContact CE2-CD1 3.95Å; F217-F220 HydrophobicContact CE2-CE1 4.27Å; F217-F220 WeakPolarHBondContact O-CB 3.41Å; F217-F220 PolarHBondContact O-N 3.25Å; F217-F220 VanDerWaalsContact O-N 3.16Å; L218-F220 PolarHBondContact O-N 2.97Å
221	L	88.4	Confident	89.1	Confident	6 Å²	6	43 Å²	43	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-77.2	-45.9	177.4	-65.5	-177.7	0	0	0	112	P54 P55 F217 L218 P223	P54-L221 HydrophobicContact CB-CD2 4.46Å; P54-L221 HydrophobicContact CG-CD2 4.1Å; P55-L221 VanDerWaalsContact CD-O 3.31Å; P55-L221 WeakPolarHBondContact CD-O 3.38Å; F217-L221 HydrophobicContact CD1-CD1 4.1Å; F217-L221 HydrophobicContact CE1-CD1 3.49Å; F217-L221 VanDerWaalsContact CE1-CD1 3.49Å; F217-L221 HydrophobicContact CE1-CG 4.12Å; F217-L221 HydrophobicContact CZ-CD1 3.9Å; F217-L221 HydrophobicContact CZ-CD2 4.41Å; F217-L221 HydrophobicContact CZ-CG 4.19Å; F217-L221 PolarHBondContact O-N 2.89Å; L218-L221 PolarHBondContact O-N 3.4Å; L221-P223 VanDerWaalsContact O-CD 3.23Å; L221-P223 WeakPolarHBondContact O-CD 3.29Å
222	H	87.4	Confident	88.9	Confident	21 Å²	21	39.4 Å²	39.4	10%	0.097	19%	0.19	C	C	.	.			trans	-118.1	76.8	-173.5	-66.2	-75.7	0	0	0	110.4	A134 L218 E224 H225	A134-H222 HydrophobicContact CB-CB 4.42Å; L218-H222 HydrophobicContact CD1-CB 4.16Å; L218-H222 CarbonylContact O-C 3.57Å; L218-H222 WeakPolarHBondContact O-CA 3.5Å; L218-H222 WeakPolarHBondContact O-CB 3.45Å; L218-H222 PolarHBondContact O-N 2.93Å; H222-E224 VanDerWaalsContact CA-OE2 3.29Å; H222-E224 WeakPolarHBondContact CA-OE2 3.38Å; H222-E224 VanDerWaalsContact CB-OE1 3.29Å; H222-E224 WeakPolarHBondContact CB-OE1 3.19Å; H222-E224 IonicContact CG-OE1 2.78Å; H222-E224 IonicContact ND1-OE1 2.69Å; H222-E224 PolarHBondContact ND1-OE1 3.07Å; H222-E224 PolarHBondContact O-N 2.75Å; H222-E224 VanDerWaalsContact O-N 3.15Å; H222-H225 HydrophobicContact CB-CB 4.42Å; H222-H225 WeakPolarHBondContact O-CB 3.44Å; H222-H225 PolarHBondContact O-N 3.23Å
223	P	86.6	Confident	88.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-57.9	-27.4	-178.7	27.9	-39.2	0	0	0	113.5	L58 S219 L221 H225 S226 M229 M233	L58-P223 HydrophobicContact CD1-CG 3.63Å; L58-P223 HydrophobicContact CD2-CG 3.48Å; L58-P223 VanDerWaalsContact CD2-CG 3.48Å; L58-P223 HydrophobicContact CG-CG 4.22Å; S219-P223 WeakPolarHBondContact O-CA 3.25Å; L221-P223 VanDerWaalsContact O-CD 3.23Å; L221-P223 WeakPolarHBondContact O-CD 3.29Å; P223-H225 PolarHBondContact O-N 2.9Å; P223-S226 PolarHBondContact O-N 2.94Å; P223-S226 VanDerWaalsContact O-O 3.09Å; P223-M229 HydrophobicContact CB-CB 4.03Å; P223-M229 HydrophobicContact CB-CG 3.21Å; P223-M233 HydrophobicContact CB-CG 4.21Å; P223-M233 HydrophobicContact CB-SD 3.53Å; P223-M233 VanDerWaalsContact CB-SD 3.53Å; P223-M233 HydrophobicContact CG-SD 3.61Å
224	E	84.1	Confident	88.5	Confident	10 Å²	10	37 Å²	37	5%	0.047	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.2	-23.9	174.8	65.8	-81.7	-171.8	0	0	113.7	L61 H130 F131 H222 P305	L61-E224 HydrophobicContact CD1-CB 4.1Å; L61-E224 HydrophobicContact CD2-CB 3.89Å; L61-E224 HydrophobicContact CG-CB 4.05Å; H130-E224 IonicContact NE2-OE1 3.43Å; F131-E224 HydrophobicContact CD1-CG 4.43Å; F131-E224 HydrophobicContact CE1-CB 4.17Å; F131-E224 HydrophobicContact CE1-CG 3.65Å; F131-E224 HydrophobicContact CZ-CB 4.31Å; F131-E224 HydrophobicContact CZ-CG 4.2Å; F131-E224 WeakPolarHBondContact CZ-O 3.46Å; H222-E224 VanDerWaalsContact CA-OE2 3.29Å; H222-E224 WeakPolarHBondContact CA-OE2 3.38Å; H222-E224 VanDerWaalsContact CB-OE1 3.29Å; H222-E224 WeakPolarHBondContact CB-OE1 3.19Å; H222-E224 IonicContact CG-OE1 2.78Å; H222-E224 IonicContact ND1-OE1 2.69Å; H222-E224 PolarHBondContact ND1-OE1 3.07Å; H222-E224 PolarHBondContact O-N 2.75Å; H222-E224 VanDerWaalsContact O-N 3.15Å; E224-P305 HydrophobicContact CB-CG 4.47Å
225	H	83.4	Confident	88.5	Confident	68 Å²	68	37.4 Å²	37.4	32%	0.315	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-81	-20.1	-179.1	-163	-85.5	0	0	0	112.8	F131 L218 H222 P223	F131-H225 AromaticContact CD2-CD2 3.96Å; L218-H225 HydrophobicContact CD2-CB 4.43Å; L218-H225 WeakPolarHBondContact CD2-ND1 3.23Å; L218-H225 HydrophobicContact CG-CB 4.39Å; H222-H225 HydrophobicContact CB-CB 4.42Å; H222-H225 WeakPolarHBondContact O-CB 3.44Å; H222-H225 PolarHBondContact O-N 3.23Å; P223-H225 PolarHBondContact O-N 2.9Å
226	S	86.6	Confident	88.3	Confident	19 Å²	19	31.1 Å²	31.1	13%	0.133	15%	0.148	C	C	.	.			trans	-119.7	122.1	-174.8	179.7	0	0	0	0	112	S219 P223 G228 M229 L230	S219-S226 WeakPolarHBondContact OG-CB 3.3Å; P223-S226 PolarHBondContact O-N 2.94Å; P223-S226 VanDerWaalsContact O-O 3.09Å; S226-G228 PolarHBondContact O-N 3.27Å; S226-G228 PolarHBondContact OG-N 3.43Å; S226-M229 PolarHBondContact O-N 3Å; S226-M229 VanDerWaalsContact O-N 3.11Å; S226-L230 WeakPolarHBondContact O-CB 3.46Å; S226-L230 PolarHBondContact O-N 3.33Å
227	K	86.6	Confident	88.1	Confident	156 Å²	156	30.2 Å²	30.2	68%	0.678	14%	0.144	S	C	*	.	H	α-helix	trans	-56.8	-34.5	174.6	-65.6	-168.1	173	-159.8	0	112.8	R231	K227-R231 VanDerWaalsContact O-CB 3.24Å; K227-R231 WeakPolarHBondContact O-CB 3.38Å; K227-R231 PolarHBondContact O-N 2.69Å
228	G	86.8	Confident	88	Confident	39 Å²	39	30.3 Å²	30.3	40%	0.402	14%	0.144	S	C	.	.	H	α-helix	trans	-64.6	-46.4	177.9	0	0	0	0	0	111.6	S226 R231 Y232	S226-G228 PolarHBondContact O-N 3.27Å; S226-G228 PolarHBondContact OG-N 3.43Å; G228-R231 PolarHBondContact O-N 2.91Å; G228-Y232 PolarHBondContact O-N 2.87Å
229	M	88	Confident	87.9	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-72	-41.8	179.3	-169.2	60.7	67.7	0	0	111.8	R199 Q202 A203 P223 S226 R231 Y232 M233	R199-M229 HydrophobicContact CG-CE 4.35Å; R199-M229 HydrophobicContact CG-SD 4.35Å; Q202-M229 HydrophobicContact CB-CE 3.95Å; Q202-M229 HydrophobicContact CB-SD 4.2Å; A203-M229 VanDerWaalsContact CA-CE 3.42Å; A203-M229 HydrophobicContact CB-CE 3.52Å; A203-M229 VanDerWaalsContact N-CE 3.33Å; P223-M229 HydrophobicContact CB-CB 4.03Å; P223-M229 HydrophobicContact CB-CG 3.21Å; S226-M229 PolarHBondContact O-N 3Å; S226-M229 VanDerWaalsContact O-N 3.11Å; M229-R231 VanDerWaalsContact C-N 3.28Å; M229-R231 PolarHBondContact O-N 2.91Å; M229-Y232 CarbonylContact O-C 3.56Å; M229-Y232 WeakPolarHBondContact O-CA 3.42Å; M229-Y232 VanDerWaalsContact O-CB 3.31Å; M229-Y232 WeakPolarHBondContact O-CB 3.5Å; M229-Y232 PolarHBondContact O-N 3.39Å; M229-Y232 HydrophobicContact SD-CD1 3.66Å; M229-Y232 HydrophobicContact SD-CE1 4.46Å; M229-Y232 HydrophobicContact SD-CG 4.3Å; M229-M233 WeakPolarHBondContact O-CG 3.33Å; M229-M233 PolarHBondContact O-N 2.88Å
230	L	88.9	Confident	87.6	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-54.7	-45.5	173	-169.5	70.9	0	0	0	111.3	L61 S226 Y232 M233 V234 M303 D304	L61-L230 HydrophobicContact CD1-CD1 4.35Å; L61-L230 HydrophobicContact CD2-CD1 4.22Å; S226-L230 WeakPolarHBondContact O-CB 3.46Å; S226-L230 PolarHBondContact O-N 3.33Å; L230-Y232 VanDerWaalsContact C-N 3.32Å; L230-Y232 PolarHBondContact O-N 2.85Å; L230-M233 HydrophobicContact CD1-SD 4.48Å; L230-M233 WeakPolarHBondContact O-CB 3.31Å; L230-M233 PolarHBondContact O-N 3.41Å; L230-M233 VanDerWaalsContact O-N 3.16Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.28Å; L230-V234 PolarHBondContact O-N 2.97Å; L230-M303 HydrophobicContact CD1-CB 4.01Å; L230-M303 HydrophobicContact CD2-CB 4.49Å; L230-M303 HydrophobicContact CG-CB 4.33Å; L230-D304 HydrophobicContact CD2-CB 4.3Å
231	R	90.6	Very high	87.4	Confident	143 Å²	143	38.8 Å²	38.8	54%	0.54	18%	0.182	S	C	.	.	H	α-helix	trans	-64.4	-35.1	175.4	-174	174.9	-178.1	-149.9	0.5	112.8	K227 G228 M229 K235	K227-R231 VanDerWaalsContact O-CB 3.24Å; K227-R231 WeakPolarHBondContact O-CB 3.38Å; K227-R231 PolarHBondContact O-N 2.69Å; G228-R231 PolarHBondContact O-N 2.91Å; M229-R231 VanDerWaalsContact C-N 3.28Å; M229-R231 PolarHBondContact O-N 2.91Å; R231-K235 WeakPolarHBondContact O-CB 3.47Å; R231-K235 PolarHBondContact O-N 3.46Å
232	Y	88.5	Confident	87.4	Confident	30 Å²	30	39.2 Å²	39.2	12%	0.118	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-45.3	171.3	168.8	-101.6	0	0	0	111.2	Q202 G228 M229 L230 V234 K235 E236	Q202-Y232 HydrophobicContact CB-CD1 4.22Å; Q202-Y232 HydrophobicContact CB-CD2 4.19Å; Q202-Y232 HydrophobicContact CB-CE1 4.47Å; Q202-Y232 HydrophobicContact CB-CE2 4.46Å; Q202-Y232 HydrophobicContact CB-CG 4.05Å; Q202-Y232 HydrophobicContact CG-CD1 4.1Å; Q202-Y232 HydrophobicContact CG-CD2 3.52Å; Q202-Y232 HydrophobicContact CG-CE1 4Å; Q202-Y232 HydrophobicContact CG-CE2 3.42Å; Q202-Y232 VanDerWaalsContact CG-CE2 3.42Å; Q202-Y232 HydrophobicContact CG-CG 3.86Å; G228-Y232 PolarHBondContact O-N 2.87Å; M229-Y232 CarbonylContact O-C 3.56Å; M229-Y232 WeakPolarHBondContact O-CA 3.42Å; M229-Y232 VanDerWaalsContact O-CB 3.31Å; M229-Y232 WeakPolarHBondContact O-CB 3.5Å; M229-Y232 PolarHBondContact O-N 3.39Å; M229-Y232 HydrophobicContact SD-CD1 3.66Å; M229-Y232 HydrophobicContact SD-CE1 4.46Å; M229-Y232 HydrophobicContact SD-CG 4.3Å; L230-Y232 VanDerWaalsContact C-N 3.32Å; L230-Y232 PolarHBondContact O-N 2.85Å; Y232-V234 PolarHBondContact O-N 3.48Å; Y232-K235 WeakPolarHBondContact O-CB 3.37Å; Y232-K235 PolarHBondContact O-N 2.91Å; Y232-K235 VanDerWaalsContact O-N 3.12Å; Y232-E236 HydrophobicContact CD1-CG 4.41Å; Y232-E236 HydrophobicContact CD2-CG 4.24Å; Y232-E236 HydrophobicContact CE1-CG 3.88Å; Y232-E236 HydrophobicContact CE2-CG 3.65Å; Y232-E236 VanDerWaalsContact CZ-CG 3.47Å; Y232-E236 PolarHBondContact O-N 3.43Å; Y232-E236 PolarHBondContact OH-OE2 3.14Å
233	M	87	Confident	87.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-49.6	175.7	-56.5	-176.3	35.7	0	0	111.6	L58 L61 M65 P223 M229 L230 K235 E236 I237 M303	L58-M233 HydrophobicContact CD1-CE 3.24Å; L58-M233 HydrophobicContact CD1-SD 3.6Å; L58-M233 VanDerWaalsContact CD1-SD 3.6Å; L61-M233 HydrophobicContact CD1-CE 3.71Å; L61-M233 HydrophobicContact CD1-SD 4.12Å; M65-M233 HydrophobicContact CE-CB 4.17Å; M65-M233 HydrophobicContact CE-CG 3.92Å; M65-M233 HydrophobicContact CG-CE 4.33Å; M65-M233 HydrophobicContact SD-CB 3.93Å; M65-M233 HydrophobicContact SD-CE 3.5Å; M65-M233 WeakPolarHBondContact SD-CE 3.35Å; M65-M233 HydrophobicContact SD-CG 3.33Å; M65-M233 WeakPolarHBondContact SD-CG 3.2Å; M65-M233 HydrophobicContact SD-SD 3.57Å; P223-M233 HydrophobicContact CB-CG 4.21Å; P223-M233 HydrophobicContact CB-SD 3.53Å; P223-M233 VanDerWaalsContact CB-SD 3.53Å; P223-M233 HydrophobicContact CG-SD 3.61Å; M229-M233 WeakPolarHBondContact O-CG 3.33Å; M229-M233 PolarHBondContact O-N 2.88Å; L230-M233 HydrophobicContact CD1-SD 4.48Å; L230-M233 WeakPolarHBondContact O-CB 3.31Å; L230-M233 PolarHBondContact O-N 3.41Å; L230-M233 VanDerWaalsContact O-N 3.16Å; M233-K235 PolarHBondContact O-N 2.86Å; M233-E236 PolarHBondContact O-N 2.82Å; M233-I237 WeakPolarHBondContact O-CG1 3.22Å; M233-I237 PolarHBondContact O-N 3.48Å; M233-M303 HydrophobicContact CE-CE 3.83Å
234	V	90.3	Very high	87.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55	-42.4	177	168.8	0	0	0	0	110.7	L230 Y232 I237 V238 M296 L299 E300 M303	L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.28Å; L230-V234 PolarHBondContact O-N 2.97Å; Y232-V234 PolarHBondContact O-N 3.48Å; V234-I237 PolarHBondContact O-N 3.1Å; V234-V238 VanDerWaalsContact O-CG2 3.29Å; V234-V238 WeakPolarHBondContact O-CG2 3.21Å; V234-V238 PolarHBondContact O-N 3.38Å; V234-M296 HydrophobicContact CG1-CE 4.4Å; V234-L299 HydrophobicContact CG1-CB 3.95Å; V234-L299 HydrophobicContact CG1-CD2 4.03Å; V234-L299 HydrophobicContact CG1-CG 4.02Å; V234-L299 HydrophobicContact CG2-CG 4.41Å; V234-E300 HydrophobicContact CG2-CB 4.31Å; V234-M303 HydrophobicContact CG2-CB 4.21Å; V234-M303 HydrophobicContact CG2-CG 4.07Å
235	K	90.3	Very high	87.7	Confident	94 Å²	94	58.6 Å²	58.6	41%	0.409	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-41.2	177.6	-170.7	-173.3	174.6	-171.9	0	112.4	R231 Y232 M233 R239 W247 M296	R231-K235 WeakPolarHBondContact O-CB 3.47Å; R231-K235 PolarHBondContact O-N 3.46Å; Y232-K235 WeakPolarHBondContact O-CB 3.37Å; Y232-K235 PolarHBondContact O-N 2.91Å; Y232-K235 VanDerWaalsContact O-N 3.12Å; M233-K235 PolarHBondContact O-N 2.86Å; K235-R239 VanDerWaalsContact O-CB 3.3Å; K235-R239 WeakPolarHBondContact O-CB 3.42Å; K235-R239 PolarHBondContact O-N 3.01Å; K235-W247 HydrophobicContact CD-CH2 4.36Å; K235-W247 HydrophobicContact CD-CZ3 4.43Å; K235-W247 HydrophobicContact CG-CE3 4.49Å; K235-W247 HydrophobicContact CG-CH2 3.73Å; K235-W247 HydrophobicContact CG-CZ3 3.43Å; K235-W247 VanDerWaalsContact CG-CZ3 3.43Å; K235-M296 HydrophobicContact CB-CE 3.73Å; K235-M296 HydrophobicContact CG-CE 4.02Å
236	E	87	Confident	88	Confident	21 Å²	21	59 Å²	59	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-67.1	-44.2	177	-66.3	-65.9	94.9	0	0	111.1	Y232 M233 V238 R239 D240	Y232-E236 HydrophobicContact CD1-CG 4.41Å; Y232-E236 HydrophobicContact CD2-CG 4.24Å; Y232-E236 HydrophobicContact CE1-CG 3.88Å; Y232-E236 HydrophobicContact CE2-CG 3.65Å; Y232-E236 VanDerWaalsContact CZ-CG 3.47Å; Y232-E236 PolarHBondContact O-N 3.43Å; Y232-E236 PolarHBondContact OH-OE2 3.14Å; M233-E236 PolarHBondContact O-N 2.82Å; E236-V238 PolarHBondContact O-N 3.38Å; E236-R239 VanDerWaalsContact CD-CZ 3.41Å; E236-R239 WeakPolarHBondContact O-CB 3.47Å; E236-R239 PolarHBondContact O-N 3.42Å; E236-R239 VanDerWaalsContact O-N 3.15Å; E236-R239 IonicContact OE1-CZ 3.51Å; E236-R239 VanDerWaalsContact OE1-CZ 3.26Å; E236-R239 IonicContact OE1-NE 3.69Å; E236-R239 IonicContact OE1-NH1 2.75Å; E236-R239 PolarHBondContact OE1-NH1 2.95Å; E236-R239 IonicContact OE1-NH2 3.54Å; E236-R239 IonicContact OE2-CZ 2.75Å; E236-R239 IonicContact OE2-NH1 3.34Å; E236-R239 PolarHBondContact OE2-NH1 3.43Å; E236-R239 IonicContact OE2-NH2 3.85Å; E236-R239 PolarHBondContact OE2-NH2 2.76Å; E236-D240 WeakPolarHBondContact O-CB 3.46Å; E236-D240 VanDerWaalsContact O-CG 3.29Å; E236-D240 PolarHBondContact O-N 3.36Å
237	I	86.8	Confident	88.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.1	-48.8	175	-66.1	167.5	0	0	0	110.5	M63 M233 V234 R239 D240 L241 L299 M303	M63-I237 HydrophobicContact CE-CG2 3.9Å; M233-I237 WeakPolarHBondContact O-CG1 3.22Å; M233-I237 PolarHBondContact O-N 3.48Å; V234-I237 PolarHBondContact O-N 3.1Å; I237-R239 PolarHBondContact O-N 2.97Å; I237-D240 PolarHBondContact O-N 2.89Å; I237-L241 HydrophobicContact CG2-CD1 3.76Å; I237-L241 HydrophobicContact CG2-CG 4.47Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 WeakPolarHBondContact O-CG 2.85Å; I237-L241 PolarHBondContact O-N 3.03Å; I237-L299 HydrophobicContact CB-CD2 4.48Å; I237-L299 HydrophobicContact CG2-CD2 4.03Å; I237-M303 HydrophobicContact CD1-CE 4.39Å
238	V	89.9	Confident	88.4	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-47	176.9	172.9	0	0	0	0	110.2	V234 E236 D240 L241 D242 W247 L249 M296 L299	V234-V238 VanDerWaalsContact O-CG2 3.29Å; V234-V238 WeakPolarHBondContact O-CG2 3.21Å; V234-V238 PolarHBondContact O-N 3.38Å; E236-V238 PolarHBondContact O-N 3.38Å; V238-D240 PolarHBondContact O-N 2.88Å; V238-L241 PolarHBondContact O-N 2.92Å; V238-D242 HydrophobicContact CG1-CB 4.23Å; V238-D242 WeakPolarHBondContact O-CA 3.41Å; V238-D242 WeakPolarHBondContact O-CB 3.42Å; V238-D242 PolarHBondContact O-N 2.68Å; V238-W247 HydrophobicContact CB-CE3 4.36Å; V238-W247 HydrophobicContact CB-CZ3 4.49Å; V238-W247 HydrophobicContact CG1-CE3 3.74Å; V238-W247 HydrophobicContact CG1-CZ3 4.28Å; V238-L249 HydrophobicContact CG1-CD2 4.38Å; V238-L249 HydrophobicContact CG1-CG 4.43Å; V238-L249 HydrophobicContact CG2-CD1 3.98Å; V238-L249 HydrophobicContact CG2-CG 4.26Å; V238-M296 HydrophobicContact CG2-CG 4.25Å; V238-L299 HydrophobicContact CG2-CD2 3.88Å
239	R	88.2	Confident	88.5	Confident	92 Å²	92	58 Å²	58	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-36.1	-179.3	-172.3	-166.5	71.5	-164.4	-3.9	112.9	K235 E236 I237 W247	K235-R239 VanDerWaalsContact O-CB 3.3Å; K235-R239 WeakPolarHBondContact O-CB 3.42Å; K235-R239 PolarHBondContact O-N 3.01Å; E236-R239 VanDerWaalsContact CD-CZ 3.41Å; E236-R239 WeakPolarHBondContact O-CB 3.47Å; E236-R239 PolarHBondContact O-N 3.42Å; E236-R239 VanDerWaalsContact O-N 3.15Å; E236-R239 IonicContact OE1-CZ 3.51Å; E236-R239 VanDerWaalsContact OE1-CZ 3.26Å; E236-R239 IonicContact OE1-NE 3.69Å; E236-R239 IonicContact OE1-NH1 2.75Å; E236-R239 PolarHBondContact OE1-NH1 2.95Å; E236-R239 IonicContact OE1-NH2 3.54Å; E236-R239 IonicContact OE2-CZ 2.75Å; E236-R239 IonicContact OE2-NH1 3.34Å; E236-R239 PolarHBondContact OE2-NH1 3.43Å; E236-R239 IonicContact OE2-NH2 3.85Å; E236-R239 PolarHBondContact OE2-NH2 2.76Å; I237-R239 PolarHBondContact O-N 2.97Å; R239-W247 HydrophobicContact CB-CH2 4.21Å; R239-W247 HydrophobicContact CB-CZ3 4.37Å
240	D	84.6	Confident	88.7	Confident	83 Å²	83	59.9 Å²	59.9	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-82.7	-28.7	-175.9	-67.3	-2.8	0	0	0	112	E236 I237 V238	E236-D240 WeakPolarHBondContact O-CB 3.46Å; E236-D240 VanDerWaalsContact O-CG 3.29Å; E236-D240 PolarHBondContact O-N 3.36Å; I237-D240 PolarHBondContact O-N 2.89Å; V238-D240 PolarHBondContact O-N 2.88Å
241	L	84.7	Confident	88.6	Confident	21 Å²	21	61.6 Å²	61.6	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-90	-29.3	177.2	-65.2	177.3	0	0	0	114.1	I237 V238 Q243 L249 F254	I237-L241 HydrophobicContact CG2-CD1 3.76Å; I237-L241 HydrophobicContact CG2-CG 4.47Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 WeakPolarHBondContact O-CG 2.85Å; I237-L241 PolarHBondContact O-N 3.03Å; V238-L241 PolarHBondContact O-N 2.92Å; L241-Q243 PolarHBondContact O-N 2.75Å; L241-L249 HydrophobicContact CB-CD1 4.35Å; L241-L249 HydrophobicContact CB-CD2 3.6Å; L241-L249 HydrophobicContact CD1-CD1 4.02Å; L241-F254 HydrophobicContact CD1-CD2 4.35Å
242	D	88.4	Confident	88.4	Confident	15 Å²	15	58.2 Å²	58.2	8%	0.08	27%	0.273	C	S	.	.			trans	-72.7	107.7	-176.7	177.6	3.6	0	0	0	111	V238 D244 R245 D246 W247 L249	V238-D242 HydrophobicContact CG1-CB 4.23Å; V238-D242 WeakPolarHBondContact O-CA 3.41Å; V238-D242 WeakPolarHBondContact O-CB 3.42Å; V238-D242 PolarHBondContact O-N 2.68Å; D242-D244 PolarHBondContact OD1-N 2.83Å; D242-R245 VanDerWaalsContact CG-CA 3.49Å; D242-R245 VanDerWaalsContact OD1-CA 3.24Å; D242-R245 WeakPolarHBondContact OD1-CA 3.1Å; D242-R245 PolarHBondContact OD1-N 2.87Å; D242-R245 VanDerWaalsContact OD2-C 3.26Å; D242-R245 WeakPolarHBondContact OD2-CA 3.07Å; D242-D246 PolarHBondContact OD1-N 3Å; D242-D246 PolarHBondContact OD2-N 3.2Å; D242-D246 VanDerWaalsContact OD2-N 3.16Å; D242-W247 WeakPolarHBondContact OD2-CA 3.47Å; D242-W247 PolarHBondContact OD2-N 3.47Å; D242-L249 HydrophobicContact CB-CD2 4.11Å
243	Q	86.2	Confident	88.3	Confident	133 Å²	133	57.2 Å²	57.2	62%	0.621	27%	0.269	S	S	*	.	S	Bend	trans	-87.2	-31.9	-175.2	-67.5	-179.5	6.8	0	0	111.9	L241 E253 S256	L241-Q243 PolarHBondContact O-N 2.75Å; Q243-E253 HydrophobicContact CB-CG 4.38Å; Q243-E253 HydrophobicContact CG-CG 4.3Å; Q243-E253 PolarHBondContact N-OE1 3.23Å; Q243-E253 VanDerWaalsContact N-OE1 3.1Å; Q243-S256 PolarHBondContact NE2-OG 3.47Å
244	D	88.7	Confident	88.2	Confident	106 Å²	106	57.2 Å²	57.2	57%	0.567	27%	0.269	S	S	*	.	S	Bend	trans	-96.4	-6.2	-176.2	79.8	5.5	0	0	0	114.1	D242 D246	D242-D244 PolarHBondContact OD1-N 2.83Å; D244-D246 VanDerWaalsContact OD1-CB 3.31Å; D244-D246 WeakPolarHBondContact OD1-CB 3.33Å; D244-D246 VanDerWaalsContact OD1-CG 3.25Å; D244-D246 PolarHBondContact OD1-N 2.97Å; D244-D246 VanDerWaalsContact OD1-N 3.12Å
245	R	89.4	Confident	87.8	Confident	200 Å²	200	59.1 Å²	59.1	76%	0.755	28%	0.279	S	S	*	.	S	Bend	trans	67.6	32	175.4	-55.9	-178.9	176.7	-170.2	-2.8	113.7	D242	D242-R245 VanDerWaalsContact CG-CA 3.49Å; D242-R245 VanDerWaalsContact OD1-CA 3.24Å; D242-R245 WeakPolarHBondContact OD1-CA 3.1Å; D242-R245 PolarHBondContact OD1-N 2.87Å; D242-R245 VanDerWaalsContact OD2-C 3.26Å; D242-R245 WeakPolarHBondContact OD2-CA 3.07Å
246	D	91.4	Very high	87	Confident	75 Å²	75	56.4 Å²	56.4	40%	0.401	27%	0.272	S	S	.	.	S	Bend	trans	-90.7	-0.5	178	88.3	-13	0	0	0	114.6	D242 D244 K248	D242-D246 PolarHBondContact OD1-N 3Å; D242-D246 PolarHBondContact OD2-N 3.2Å; D242-D246 VanDerWaalsContact OD2-N 3.16Å; D244-D246 VanDerWaalsContact OD1-CB 3.31Å; D244-D246 WeakPolarHBondContact OD1-CB 3.33Å; D244-D246 VanDerWaalsContact OD1-CG 3.25Å; D244-D246 PolarHBondContact OD1-N 2.97Å; D244-D246 VanDerWaalsContact OD1-N 3.12Å; D246-K248 PolarHBondContact O-N 2.8Å; D246-K248 WeakPolarHBondContact OD1-CA 3.32Å; D246-K248 WeakPolarHBondContact OD1-CB 3.44Å; D246-K248 PolarHBondContact OD1-N 3.09Å
247	W	88.9	Confident	85.7	Confident	108 Å²	108	58.3 Å²	58.3	41%	0.409	28%	0.282	S	S	.	.	S	Bend	trans	62.7	25.2	-176	-68.4	88.6	0	0	0	114.6	K235 V238 R239 D242 M296	K235-W247 HydrophobicContact CD-CH2 4.36Å; K235-W247 HydrophobicContact CD-CZ3 4.43Å; K235-W247 HydrophobicContact CG-CE3 4.49Å; K235-W247 HydrophobicContact CG-CH2 3.73Å; K235-W247 HydrophobicContact CG-CZ3 3.43Å; K235-W247 VanDerWaalsContact CG-CZ3 3.43Å; V238-W247 HydrophobicContact CB-CE3 4.36Å; V238-W247 HydrophobicContact CB-CZ3 4.49Å; V238-W247 HydrophobicContact CG1-CE3 3.74Å; V238-W247 HydrophobicContact CG1-CZ3 4.28Å; R239-W247 HydrophobicContact CB-CH2 4.21Å; R239-W247 HydrophobicContact CB-CZ3 4.37Å; D242-W247 WeakPolarHBondContact OD2-CA 3.47Å; D242-W247 PolarHBondContact OD2-N 3.47Å; W247-M296 HydrophobicContact CE3-SD 4.04Å
248	K	91.4	Very high	84.1	Confident	86 Å²	86	60.7 Å²	60.7	37%	0.374	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.8	173.6	-52.3	-178.5	172.4	-154.7	0	108.7	D246 I293	D246-K248 PolarHBondContact O-N 2.8Å; D246-K248 WeakPolarHBondContact OD1-CA 3.32Å; D246-K248 WeakPolarHBondContact OD1-CB 3.44Å; D246-K248 PolarHBondContact OD1-N 3.09Å; K248-I293 HydrophobicContact CB-CG2 3.55Å; K248-I293 HydrophobicContact CD-CG2 3.89Å; K248-I293 HydrophobicContact CG-CG2 4.23Å
249	L	89.9	Confident	81.8	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.7	178.9	-63.9	179.4	0	0	0	109.4	V238 L241 D242 E253 F254 V294 L299	V238-L249 HydrophobicContact CG1-CD2 4.38Å; V238-L249 HydrophobicContact CG1-CG 4.43Å; V238-L249 HydrophobicContact CG2-CD1 3.98Å; V238-L249 HydrophobicContact CG2-CG 4.26Å; L241-L249 HydrophobicContact CB-CD1 4.35Å; L241-L249 HydrophobicContact CB-CD2 3.6Å; L241-L249 HydrophobicContact CD1-CD1 4.02Å; D242-L249 HydrophobicContact CB-CD2 4.11Å; L249-E253 HydrophobicContact CD2-CB 4.32Å; L249-F254 HydrophobicContact CD1-CD2 4.29Å; L249-V294 HydrophobicContact CB-CB 4.19Å; L249-V294 PolarHBondContact N-O 2.92Å; L249-V294 PolarHBondContact O-N 2.82Å; L249-L299 HydrophobicContact CD1-CD2 4.26Å
250	T	90.6	Very high	79.8	Confident	43 Å²	43	67.2 Å²	67.2	26%	0.264	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	158.6	166.3	62.7	0	0	0	0	110.2	S252 E253 F254	T250-S252 PolarHBondContact O-N 3.3Å; T250-S252 VanDerWaalsContact O-N 3.14Å; T250-S252 PolarHBondContact OG1-OG 2.81Å; T250-E253 WeakPolarHBondContact CB-OE2 3.41Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.18Å; T250-E253 PolarHBondContact N-OE2 3.49Å; T250-E253 PolarHBondContact O-N 3.32Å; T250-E253 WeakPolarHBondContact OG1-CG 3.43Å; T250-E253 PolarHBondContact OG1-N 2.92Å; T250-E253 PolarHBondContact OG1-OE2 2.87Å; T250-F254 PolarHBondContact O-N 3.26Å
251	L	87.4	Confident	78	Confident	42 Å²	42	67 Å²	67	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-52.6	-38.7	174	177.1	63.7	0	0	0	111.9	F254 I255 K279 F282	L251-F254 PolarHBondContact O-N 3.26Å; L251-I255 HydrophobicContact CD1-CG2 3.87Å; L251-I255 HydrophobicContact CG-CD1 4.47Å; L251-I255 VanDerWaalsContact O-CG1 3.25Å; L251-I255 WeakPolarHBondContact O-CG1 3.47Å; L251-I255 WeakPolarHBondContact O-CG2 3.21Å; L251-I255 PolarHBondContact O-N 2.91Å; L251-K279 HydrophobicContact CD1-CB 4.18Å; L251-K279 HydrophobicContact CD1-CG 3.97Å; L251-K279 HydrophobicContact CD2-CD 4.27Å; L251-K279 HydrophobicContact CD2-CG 4.21Å; L251-F282 HydrophobicContact CB-CD1 4.25Å; L251-F282 HydrophobicContact CB-CE1 3.96Å; L251-F282 HydrophobicContact CB-CZ 4.1Å; L251-F282 HydrophobicContact CD1-CB 3.96Å; L251-F282 HydrophobicContact CD1-CD1 3.77Å; L251-F282 HydrophobicContact CD1-CD2 4.3Å; L251-F282 HydrophobicContact CD1-CE1 4.36Å; L251-F282 HydrophobicContact CD1-CG 3.75Å
252	S	86	Confident	76.2	Confident	72 Å²	72	71.3 Å²	71.3	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-39.8	177.5	35.7	0	0	0	0	113.4	T250 S256	T250-S252 PolarHBondContact O-N 3.3Å; T250-S252 VanDerWaalsContact O-N 3.14Å; T250-S252 PolarHBondContact OG1-OG 2.81Å; S252-S256 PolarHBondContact O-N 3.03Å; S252-S256 PolarHBondContact O-OG 3.43Å
253	E	87.4	Confident	74.3	Confident	9 Å²	9	79.7 Å²	79.7	4%	0.042	43%	0.43	C	S	.	.	H	α-helix	trans	-72.2	-41.4	176.9	-73.2	161.1	142.3	0	0	110.5	Q243 L249 T250 I255 S256	Q243-E253 HydrophobicContact CB-CG 4.38Å; Q243-E253 HydrophobicContact CG-CG 4.3Å; Q243-E253 PolarHBondContact N-OE1 3.23Å; Q243-E253 VanDerWaalsContact N-OE1 3.1Å; L249-E253 HydrophobicContact CD2-CB 4.32Å; T250-E253 WeakPolarHBondContact CB-OE2 3.41Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.18Å; T250-E253 PolarHBondContact N-OE2 3.49Å; T250-E253 PolarHBondContact O-N 3.32Å; T250-E253 WeakPolarHBondContact OG1-CG 3.43Å; T250-E253 PolarHBondContact OG1-N 2.92Å; T250-E253 PolarHBondContact OG1-OE2 2.87Å; E253-I255 VanDerWaalsContact C-N 3.32Å; E253-I255 PolarHBondContact O-N 3.2Å; E253-S256 WeakPolarHBondContact O-CB 3.38Å; E253-S256 PolarHBondContact O-N 3.12Å; E253-S256 VanDerWaalsContact O-N 3.07Å
254	F	84.4	Confident	72.4	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-64.1	-35.2	179.5	-167.9	-99.4	0	0	0	113.1	M63 L241 L249 T250 L251 R278 F282 I286	M63-F254 HydrophobicContact CE-CE2 3.9Å; M63-F254 HydrophobicContact CE-CZ 4.19Å; M63-F254 HydrophobicContact SD-CE2 4.19Å; M63-F254 HydrophobicContact SD-CZ 4.19Å; L241-F254 HydrophobicContact CD1-CD2 4.35Å; L249-F254 HydrophobicContact CD1-CD2 4.29Å; T250-F254 PolarHBondContact O-N 3.26Å; L251-F254 PolarHBondContact O-N 3.26Å; F254-R278 HydrophobicContact CD1-CB 4.22Å; F254-R278 HydrophobicContact CE1-CB 4.02Å; F254-R278 HydrophobicContact CE1-CG 4.4Å; F254-R278 WeakPolarHBondContact CE1-O 3.48Å; F254-R278 PolarHBondContact O-NE 3.43Å; F254-R278 PolarHBondContact O-NH2 3.41Å; F254-F282 HydrophobicContact CB-CD2 3.64Å; F254-F282 HydrophobicContact CB-CE2 3.93Å; F254-F282 HydrophobicContact CD1-CB 3.94Å; F254-F282 AromaticContact CD1-CD2 3.78Å; F254-F282 HydrophobicContact CD1-CD2 3.78Å; F254-F282 HydrophobicContact CD1-CG 4.33Å; F254-F282 HydrophobicContact CD2-CD2 4.24Å; F254-F282 HydrophobicContact CE1-CB 4.2Å; F254-F282 AromaticContact CG-CD2 3.62Å; F254-F282 HydrophobicContact CG-CD2 3.62Å; F254-F282 HydrophobicContact CG-CE2 4.3Å; F254-I286 HydrophobicContact CE1-CD1 4.05Å; F254-I286 HydrophobicContact CE2-CD1 3.79Å; F254-I286 HydrophobicContact CZ-CD1 3.36Å
255	I	81.9	Confident	70.5	Confident	41 Å²	41	82.4 Å²	82.4	21%	0.21	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6.2	175.2	73.5	-172	0	0	0	112.9	L251 E253 L257 W274 V275 R278 K279	L251-I255 HydrophobicContact CD1-CG2 3.87Å; L251-I255 HydrophobicContact CG-CD1 4.47Å; L251-I255 VanDerWaalsContact O-CG1 3.25Å; L251-I255 WeakPolarHBondContact O-CG1 3.47Å; L251-I255 WeakPolarHBondContact O-CG2 3.21Å; L251-I255 PolarHBondContact O-N 2.91Å; E253-I255 VanDerWaalsContact C-N 3.32Å; E253-I255 PolarHBondContact O-N 3.2Å; I255-L257 PolarHBondContact O-N 2.86Å; I255-W274 WeakPolarHBondContact O-CH2 3.48Å; I255-W274 WeakPolarHBondContact O-CZ3 3.34Å; I255-V275 HydrophobicContact CB-CG1 4.48Å; I255-V275 HydrophobicContact CD1-CG1 4.14Å; I255-R278 HydrophobicContact CG2-CB 4.12Å; I255-K279 HydrophobicContact CG2-CB 4.46Å
256	S	74.3	Confident	68.4	Low	36 Å²	36	81.4 Å²	81.4	25%	0.252	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-73.1	125.6	176.6	-75.1	0	0	0	0	109.5	Q243 S252 E253	Q243-S256 PolarHBondContact NE2-OG 3.47Å; S252-S256 PolarHBondContact O-N 3.03Å; S252-S256 PolarHBondContact O-OG 3.43Å; E253-S256 WeakPolarHBondContact O-CB 3.38Å; E253-S256 PolarHBondContact O-N 3.12Å; E253-S256 VanDerWaalsContact O-N 3.07Å
257	L	59.2	Low	66.4	Low	61 Å²	61	79 Å²	79	32%	0.319	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-65.4	145.3	169.8	-71.1	167.3	0	0	0	109.6	I255 V259 W274	I255-L257 PolarHBondContact O-N 2.86Å; L257-V259 PolarHBondContact O-N 3.34Å; L257-W274 HydrophobicContact CD2-CD2 4Å; L257-W274 HydrophobicContact CD2-CE3 3.8Å; L257-W274 HydrophobicContact CD2-CH2 3.58Å; L257-W274 HydrophobicContact CD2-CZ2 3.73Å; L257-W274 HydrophobicContact CD2-CZ3 3.59Å; L257-W274 HydrophobicContact CG-CE3 4.3Å; L257-W274 HydrophobicContact CG-CH2 3.96Å; L257-W274 HydrophobicContact CG-CZ3 3.79Å
258	P	52.3	Low	64.5	Low	50 Å²	50	79.7 Å²	79.7	33%	0.325	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-52.7	138.1	170.4	-20.9	30.1	0	0	0	110.7	G260 T261	P258-G260 PolarHBondContact O-N 2.81Å; P258-T261 PolarHBondContact O-OG1 3Å
259	V	41.8	Very low	62.5	Low	156 Å²	156	81.5 Å²	81.5	95%	0.945	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	105	-175.4	-165.5	0	0	0	0	109.9	L257	L257-V259 PolarHBondContact O-N 3.34Å
260	G	46.3	Very low	60.7	Low	74 Å²	74	87.4 Å²	87.4	76%	0.763	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.4	-8	174.9	0	0	0	0	0	116.8	P258 V262	P258-G260 PolarHBondContact O-N 2.81Å; G260-V262 PolarHBondContact O-N 3.1Å; G260-V262 VanDerWaalsContact O-N 3.14Å
261	T	47.2	Very low	59.3	Low	79 Å²	79	87.9 Å²	87.9	49%	0.485	49%	0.493	S	S	.	.			trans	-89.2	79.3	-178.6	46	0	0	0	0	113	P258	P258-T261 PolarHBondContact O-OG1 3Å
262	V	47.8	Very low	58.4	Low	111 Å²	111	91.1 Å²	91.1	67%	0.673	51%	0.511	S	S	*	.			trans	76.1	115.9	145	-156.5	0	0	0	0	121	G260 N264	G260-V262 PolarHBondContact O-N 3.1Å; G260-V262 VanDerWaalsContact O-N 3.14Å; V262-N264 HydrophobicContact CG1-CB 4.04Å; V262-N264 PolarHBondContact O-N 3.22Å
263	E	47.9	Very low	57.7	Low	191 Å²	191	92.5 Å²	92.5	89%	0.893	51%	0.512	S	S	*	.			trans	-72.9	86.4	154.3	-63.4	174.7	149.4	0	0	110.8
264	N	47.1	Very low	57.1	Low	126 Å²	126	94.1 Å²	94.1	67%	0.674	52%	0.518	S	S	*	.			trans	-162.4	143.2	163.7	-88	-37.8	0	0	0	114.1	V262 Q266 G267	V262-N264 HydrophobicContact CG1-CB 4.04Å; V262-N264 PolarHBondContact O-N 3.22Å; N264-Q266 VanDerWaalsContact C-N 3.28Å; N264-Q266 PolarHBondContact O-N 3.16Å; N264-Q266 VanDerWaalsContact O-N 3.17Å; N264-G267 PolarHBondContact O-N 2.88Å
265	Q	47.4	Very low	56.9	Low	170 Å²	170	96.3 Å²	96.3	79%	0.794	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-12	-172.6	-68.5	175.7	-9.6	0	0	115.9
266	Q	45.4	Very low	56.9	Low	179 Å²	179	101.2 Å²	101.2	84%	0.836	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-9.4	172.3	-80.9	174.3	-23.6	0	0	113.3	N264	N264-Q266 VanDerWaalsContact C-N 3.28Å; N264-Q266 PolarHBondContact O-N 3.16Å; N264-Q266 VanDerWaalsContact O-N 3.17Å
267	G	49.6	Very low	57.2	Low	26 Å²	26	105.1 Å²	105.1	27%	0.268	57%	0.565	S	S	.	*	S	Bend	trans	-81.2	-18.6	172.2	0	0	0	0	0	113.7	N264 D269 I270 D271	N264-G267 PolarHBondContact O-N 2.88Å; G267-D269 PolarHBondContact O-N 3.22Å; G267-I270 PolarHBondContact O-N 3.03Å; G267-D271 WeakPolarHBondContact O-CB 3.28Å; G267-D271 PolarHBondContact O-N 3.3Å
268	Q	49.3	Very low	58.4	Low	121 Å²	121	102.4 Å²	102.4	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-66.6	-40	-171.9	-69.9	-172.9	-42.9	0	0	114.4	D271 D272	Q268-D271 PolarHBondContact O-N 3.27Å; Q268-D272 PolarHBondContact O-N 2.65Å
269	D	49.1	Very low	60.1	Low	124 Å²	124	104 Å²	104	66%	0.663	55%	0.553	S	S	*	*	H	α-helix	trans	-73.6	-32.6	179	-66	-28.4	0	0	0	111.7	G267 D272 D273	G267-D269 PolarHBondContact O-N 3.22Å; D269-D272 PolarHBondContact O-N 3.15Å; D269-D273 PolarHBondContact O-N 2.89Å
270	I	52	Low	62.3	Low	124 Å²	124	101.1 Å²	101.1	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-70.8	-38.6	175.5	-61.5	173	0	0	0	109.8	G267 D272 W274	G267-I270 PolarHBondContact O-N 3.03Å; I270-D272 VanDerWaalsContact C-N 3.34Å; I270-W274 WeakPolarHBondContact O-CB 3.11Å; I270-W274 PolarHBondContact O-N 3.25Å
271	D	61.4	Low	64.1	Low	54 Å²	54	98.9 Å²	98.9	29%	0.289	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-40.4	173.1	-68.9	-16.4	0	0	0	111	G267 Q268 W274 V275	G267-D271 WeakPolarHBondContact O-CB 3.28Å; G267-D271 PolarHBondContact O-N 3.3Å; Q268-D271 PolarHBondContact O-N 3.27Å; D271-W274 PolarHBondContact O-N 3.44Å; D271-V275 VanDerWaalsContact O-CB 3.27Å; D271-V275 WeakPolarHBondContact O-CB 3.27Å; D271-V275 WeakPolarHBondContact O-CG2 3.38Å; D271-V275 PolarHBondContact O-N 3.49Å
272	D	69.6	Low	66.1	Low	110 Å²	110	95.2 Å²	95.2	59%	0.588	48%	0.475	S	S	*	.	H	α-helix	trans	-67.2	-45	-179	-87.5	-1.3	0	0	0	112.9	Q268 D269 I270 K276	Q268-D272 PolarHBondContact O-N 2.65Å; D269-D272 PolarHBondContact O-N 3.15Å; I270-D272 VanDerWaalsContact C-N 3.34Å; D272-K276 WeakPolarHBondContact O-CB 3.37Å; D272-K276 PolarHBondContact O-N 2.95Å
273	D	70.8	Confident	68	Low	101 Å²	101	94.2 Å²	94.2	54%	0.54	46%	0.463	S	S	.	.	H	α-helix	trans	-67.8	-40.4	175.7	-82.7	-23.1	0	0	0	111.2	D269 K276 E277	D269-D273 PolarHBondContact O-N 2.89Å; D273-K276 PolarHBondContact O-N 3.44Å; D273-E277 WeakPolarHBondContact O-CG 3.33Å; D273-E277 PolarHBondContact O-N 2.81Å
274	W	75.1	Confident	69.7	Low	42 Å²	42	90.9 Å²	90.9	16%	0.159	45%	0.447	C	S	.	.	H	α-helix	trans	-62	-45.4	175	176.8	91.9	0	0	0	112.3	I255 L257 I270 D271 K276 E277 R278	I255-W274 WeakPolarHBondContact O-CH2 3.48Å; I255-W274 WeakPolarHBondContact O-CZ3 3.34Å; L257-W274 HydrophobicContact CD2-CD2 4Å; L257-W274 HydrophobicContact CD2-CE3 3.8Å; L257-W274 HydrophobicContact CD2-CH2 3.58Å; L257-W274 HydrophobicContact CD2-CZ2 3.73Å; L257-W274 HydrophobicContact CD2-CZ3 3.59Å; L257-W274 HydrophobicContact CG-CE3 4.3Å; L257-W274 HydrophobicContact CG-CH2 3.96Å; L257-W274 HydrophobicContact CG-CZ3 3.79Å; I270-W274 WeakPolarHBondContact O-CB 3.11Å; I270-W274 PolarHBondContact O-N 3.25Å; D271-W274 PolarHBondContact O-N 3.44Å; W274-K276 VanDerWaalsContact C-N 3.3Å; W274-K276 PolarHBondContact O-N 3.03Å; W274-E277 PolarHBondContact O-N 3.33Å; W274-R278 HydrophobicContact CZ2-CG 4.41Å; W274-R278 PolarHBondContact O-N 2.77Å
275	V	79.8	Confident	71.5	Confident	46 Å²	46	85.4 Å²	85.4	28%	0.279	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-42.5	175.6	165.7	0	0	0	0	109.9	I255 D271 K279	I255-V275 HydrophobicContact CB-CG1 4.48Å; I255-V275 HydrophobicContact CD1-CG1 4.14Å; D271-V275 VanDerWaalsContact O-CB 3.27Å; D271-V275 WeakPolarHBondContact O-CB 3.27Å; D271-V275 WeakPolarHBondContact O-CG2 3.38Å; D271-V275 PolarHBondContact O-N 3.49Å; V275-K279 WeakPolarHBondContact O-CB 2.93Å; V275-K279 PolarHBondContact O-N 3.21Å
276	K	82.6	Confident	73.4	Confident	144 Å²	144	77.4 Å²	77.4	63%	0.626	38%	0.381	S	S	*	.	H	α-helix	trans	-65.8	-43.5	-179	-177.5	-176.2	173.7	-165.9	0	112.1	D272 D273 W274 K280	D272-K276 WeakPolarHBondContact O-CB 3.37Å; D272-K276 PolarHBondContact O-N 2.95Å; D273-K276 PolarHBondContact O-N 3.44Å; W274-K276 VanDerWaalsContact C-N 3.3Å; W274-K276 PolarHBondContact O-N 3.03Å; K276-K280 WeakPolarHBondContact O-CB 3.36Å; K276-K280 PolarHBondContact O-N 3.39Å
277	E	80.5	Confident	75.5	Confident	118 Å²	118	69.4 Å²	69.4	55%	0.551	34%	0.344	S	S	*	.	H	α-helix	trans	-63.5	-50.2	176.2	-75.1	-179.6	172.2	0	0	111.2	D273 W274 K279 K280 E281	D273-E277 WeakPolarHBondContact O-CG 3.33Å; D273-E277 PolarHBondContact O-N 2.81Å; W274-E277 PolarHBondContact O-N 3.33Å; E277-K279 VanDerWaalsContact C-N 3.32Å; E277-K279 PolarHBondContact O-N 3.15Å; E277-K280 WeakPolarHBondContact O-CB 3.3Å; E277-K280 PolarHBondContact O-N 3.26Å; E277-K280 VanDerWaalsContact O-N 3.1Å; E277-E281 PolarHBondContact O-N 2.85Å
278	R	84.4	Confident	77.2	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-40.1	177.7	-74.6	-171.2	72.7	93.2	-8.8	112.9	G67 L69 F254 I255 W274 K280 E281 F282	G67-R278 PolarHBondContact O-NH1 2.9Å; G67-R278 PolarHBondContact O-NH2 2.97Å; L69-R278 HydrophobicContact CD1-CG 3.63Å; L69-R278 HydrophobicContact CG-CG 4.11Å; F254-R278 HydrophobicContact CD1-CB 4.22Å; F254-R278 HydrophobicContact CE1-CB 4.02Å; F254-R278 HydrophobicContact CE1-CG 4.4Å; F254-R278 WeakPolarHBondContact CE1-O 3.48Å; F254-R278 PolarHBondContact O-NE 3.43Å; F254-R278 PolarHBondContact O-NH2 3.41Å; I255-R278 HydrophobicContact CG2-CB 4.12Å; W274-R278 HydrophobicContact CZ2-CG 4.41Å; W274-R278 PolarHBondContact O-N 2.77Å; R278-K280 VanDerWaalsContact C-N 3.3Å; R278-K280 PolarHBondContact O-N 3.03Å; R278-E281 PolarHBondContact O-N 2.93Å; R278-F282 VanDerWaalsContact O-CB 3.3Å; R278-F282 WeakPolarHBondContact O-CB 3.43Å; R278-F282 PolarHBondContact O-N 3.24Å
279	K	87.6	Confident	79.1	Confident	85 Å²	85	71.1 Å²	71.1	37%	0.37	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-42.4	174.7	177.5	174.3	-178.5	-178	0	111.3	L251 I255 V275 E277 F282 E283	L251-K279 HydrophobicContact CD1-CB 4.18Å; L251-K279 HydrophobicContact CD1-CG 3.97Å; L251-K279 HydrophobicContact CD2-CD 4.27Å; L251-K279 HydrophobicContact CD2-CG 4.21Å; I255-K279 HydrophobicContact CG2-CB 4.46Å; V275-K279 WeakPolarHBondContact O-CB 2.93Å; V275-K279 PolarHBondContact O-N 3.21Å; E277-K279 VanDerWaalsContact C-N 3.32Å; E277-K279 PolarHBondContact O-N 3.15Å; K279-F282 PolarHBondContact O-N 2.96Å; K279-E283 VanDerWaalsContact CE-CD 3.43Å; K279-E283 WeakPolarHBondContact CE-OE1 3.27Å; K279-E283 HydrophobicContact CG-CG 4.4Å; K279-E283 IonicContact NZ-OE1 2.68Å; K279-E283 WeakPolarHBondContact O-CB 3.18Å; K279-E283 WeakPolarHBondContact O-CG 3.22Å; K279-E283 PolarHBondContact O-N 3.37Å
280	K	86.5	Confident	81	Confident	94 Å²	94	75 Å²	75	41%	0.409	36%	0.362	S	S	.	.	H	α-helix	trans	-64.1	-47	177.8	-171.3	-172.3	173.7	-165.7	0	111.1	K276 E277 R278 F282 E283 E284	K276-K280 WeakPolarHBondContact O-CB 3.36Å; K276-K280 PolarHBondContact O-N 3.39Å; E277-K280 WeakPolarHBondContact O-CB 3.3Å; E277-K280 PolarHBondContact O-N 3.26Å; E277-K280 VanDerWaalsContact O-N 3.1Å; R278-K280 VanDerWaalsContact C-N 3.3Å; R278-K280 PolarHBondContact O-N 3.03Å; K280-F282 VanDerWaalsContact C-N 3.33Å; K280-F282 PolarHBondContact O-N 2.78Å; K280-E283 PolarHBondContact O-N 3.43Å; K280-E284 VanDerWaalsContact CE-CD 3.48Å; K280-E284 WeakPolarHBondContact CE-OE2 3Å; K280-E284 VanDerWaalsContact CG-CD 3.45Å; K280-E284 HydrophobicContact CG-CG 4.05Å; K280-E284 IonicContact NZ-OE2 3.7Å; K280-E284 WeakPolarHBondContact O-CB 3.16Å; K280-E284 WeakPolarHBondContact O-CG 3.36Å; K280-E284 PolarHBondContact O-N 2.89Å
281	E	85.6	Confident	82.8	Confident	28 Å²	28	73 Å²	73	13%	0.131	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-43.3	176.3	-72	-59.7	131.1	0	0	111.5	K62 L69 E277 R278 V285 I286 Q317	K62-E281 IonicContact NZ-OE2 2.73Å; L69-E281 HydrophobicContact CD1-CG 4.2Å; E277-E281 PolarHBondContact O-N 2.85Å; R278-E281 PolarHBondContact O-N 2.93Å; E281-V285 WeakPolarHBondContact O-CA 3.43Å; E281-V285 WeakPolarHBondContact O-CB 3.27Å; E281-V285 PolarHBondContact O-N 3.14Å; E281-V285 WeakPolarHBondContact OE2-CG2 3.2Å; E281-I286 PolarHBondContact O-N 3.03Å; E281-Q317 PolarHBondContact OE1-NE2 3.07Å
282	F	88	Confident	84.1	Confident	2 Å²	2	72 Å²	72	1%	0.009	36%	0.355	C	S	.	.	I	π-helix	trans	-56.2	-55.6	175	-174.7	-80.8	0	0	0	111.7	L251 F254 R278 K279 K280 D287 V294	L251-F282 HydrophobicContact CB-CD1 4.25Å; L251-F282 HydrophobicContact CB-CE1 3.96Å; L251-F282 HydrophobicContact CB-CZ 4.1Å; L251-F282 HydrophobicContact CD1-CB 3.96Å; L251-F282 HydrophobicContact CD1-CD1 3.77Å; L251-F282 HydrophobicContact CD1-CD2 4.3Å; L251-F282 HydrophobicContact CD1-CE1 4.36Å; L251-F282 HydrophobicContact CD1-CG 3.75Å; F254-F282 HydrophobicContact CB-CD2 3.64Å; F254-F282 HydrophobicContact CB-CE2 3.93Å; F254-F282 HydrophobicContact CD1-CB 3.94Å; F254-F282 AromaticContact CD1-CD2 3.78Å; F254-F282 HydrophobicContact CD1-CD2 3.78Å; F254-F282 HydrophobicContact CD1-CG 4.33Å; F254-F282 HydrophobicContact CD2-CD2 4.24Å; F254-F282 HydrophobicContact CE1-CB 4.2Å; F254-F282 AromaticContact CG-CD2 3.62Å; F254-F282 HydrophobicContact CG-CD2 3.62Å; F254-F282 HydrophobicContact CG-CE2 4.3Å; R278-F282 VanDerWaalsContact O-CB 3.3Å; R278-F282 WeakPolarHBondContact O-CB 3.43Å; R278-F282 PolarHBondContact O-N 3.24Å; K279-F282 PolarHBondContact O-N 2.96Å; K280-F282 VanDerWaalsContact C-N 3.33Å; K280-F282 PolarHBondContact O-N 2.78Å; F282-D287 HydrophobicContact CD1-CB 4.41Å; F282-D287 HydrophobicContact CE1-CB 4.29Å; F282-D287 WeakPolarHBondContact O-CB 3.24Å; F282-D287 PolarHBondContact O-N 3.2Å; F282-V294 HydrophobicContact CD2-CG2 3.61Å; F282-V294 HydrophobicContact CE1-CG2 4.42Å; F282-V294 HydrophobicContact CE2-CB 3.9Å; F282-V294 HydrophobicContact CE2-CG2 3.27Å; F282-V294 HydrophobicContact CG-CG2 4.35Å; F282-V294 HydrophobicContact CZ-CB 4.43Å; F282-V294 HydrophobicContact CZ-CG2 3.71Å
283	E	87.9	Confident	85.2	Confident	90 Å²	90	69 Å²	69	42%	0.421	34%	0.339	S	S	.	.	I	π-helix	trans	-77.5	-29.9	-172.5	-68.1	179	168.3	0	0	114	K279 K280	K279-E283 VanDerWaalsContact CE-CD 3.43Å; K279-E283 WeakPolarHBondContact CE-OE1 3.27Å; K279-E283 HydrophobicContact CG-CG 4.4Å; K279-E283 IonicContact NZ-OE1 2.68Å; K279-E283 WeakPolarHBondContact O-CB 3.18Å; K279-E283 WeakPolarHBondContact O-CG 3.22Å; K279-E283 PolarHBondContact O-N 3.37Å; K280-E283 PolarHBondContact O-N 3.43Å
284	E	84.4	Confident	86.2	Confident	121 Å²	121	64.3 Å²	64.3	57%	0.565	31%	0.313	S	S	*	.	I	π-helix	trans	-100.5	-24.7	-172.9	-62.8	-173	-177.6	0	0	113.9	K280	K280-E284 VanDerWaalsContact CE-CD 3.48Å; K280-E284 WeakPolarHBondContact CE-OE2 3Å; K280-E284 VanDerWaalsContact CG-CD 3.45Å; K280-E284 HydrophobicContact CG-CG 4.05Å; K280-E284 IonicContact NZ-OE2 3.7Å; K280-E284 WeakPolarHBondContact O-CB 3.16Å; K280-E284 WeakPolarHBondContact O-CG 3.36Å; K280-E284 PolarHBondContact O-N 2.89Å
285	V	83.7	Confident	87	Confident	11 Å²	11	64.2 Å²	64.2	7%	0.067	32%	0.317	C	S	.	.	I	π-helix	trans	-125.5	-47	-169	-167.4	0	0	0	0	112.7	E281 Y302	E281-V285 WeakPolarHBondContact O-CA 3.43Å; E281-V285 WeakPolarHBondContact O-CB 3.27Å; E281-V285 PolarHBondContact O-N 3.14Å; E281-V285 WeakPolarHBondContact OE2-CG2 3.2Å; V285-Y302 HydrophobicContact CB-CE2 4.32Å; V285-Y302 HydrophobicContact CG1-CD2 3.82Å; V285-Y302 HydrophobicContact CG1-CE2 3.83Å
286	I	88	Confident	87.5	Confident	1 Å²	1	64 Å²	64	1%	0.005	31%	0.314	C	S	.	.	I	π-helix	trans	-82.8	-52	-174	-49.5	174	0	0	0	111.2	F254 E281 S288 V294 L299 Y302	F254-I286 HydrophobicContact CE1-CD1 4.05Å; F254-I286 HydrophobicContact CE2-CD1 3.79Å; F254-I286 HydrophobicContact CZ-CD1 3.36Å; E281-I286 PolarHBondContact O-N 3.03Å; I286-S288 VanDerWaalsContact C-N 3.32Å; I286-S288 PolarHBondContact O-N 3.44Å; I286-S288 PolarHBondContact O-OG 2.93Å; I286-V294 HydrophobicContact CB-CG2 4Å; I286-V294 HydrophobicContact CG2-CB 4.18Å; I286-V294 HydrophobicContact CG2-CG1 3.53Å; I286-V294 HydrophobicContact CG2-CG2 3.49Å; I286-V294 VanDerWaalsContact CG2-CG2 3.49Å; I286-L299 HydrophobicContact CG2-CD1 4.43Å; I286-Y302 HydrophobicContact CD1-CD1 4.26Å; I286-Y302 HydrophobicContact CD1-CD2 4.36Å; I286-Y302 HydrophobicContact CD1-CE1 4.15Å; I286-Y302 HydrophobicContact CD1-CE2 4.22Å; I286-Y302 HydrophobicContact CD1-CG 4.35Å; I286-Y302 HydrophobicContact CG1-CD1 4.18Å; I286-Y302 HydrophobicContact CG1-CD2 3.53Å; I286-Y302 HydrophobicContact CG1-CE1 4.34Å; I286-Y302 HydrophobicContact CG1-CE2 3.69Å; I286-Y302 HydrophobicContact CG1-CG 3.76Å
287	D	89.9	Confident	88	Confident	12 Å²	12	62.2 Å²	62.2	6%	0.064	31%	0.311	C	S	.	.			trans	-73.3	82.4	179.9	-177.4	6.5	0	0	0	110.8	F282 R290 D291 G292 V294	F282-D287 HydrophobicContact CD1-CB 4.41Å; F282-D287 HydrophobicContact CE1-CB 4.29Å; F282-D287 WeakPolarHBondContact O-CB 3.24Å; F282-D287 PolarHBondContact O-N 3.2Å; D287-R290 VanDerWaalsContact CG-CA 3.47Å; D287-R290 WeakPolarHBondContact OD1-CA 3.43Å; D287-R290 PolarHBondContact OD1-N 3.34Å; D287-R290 WeakPolarHBondContact OD2-CA 3.41Å; D287-D291 PolarHBondContact OD1-N 3.26Å; D287-G292 VanDerWaalsContact OD2-CA 3.27Å; D287-G292 WeakPolarHBondContact OD2-CA 3.46Å; D287-G292 PolarHBondContact OD2-N 3.36Å; D287-V294 HydrophobicContact CB-CG2 4.45Å
288	S	85	Confident	88.5	Confident	78 Å²	78	57.5 Å²	57.5	55%	0.545	29%	0.289	S	S	.	.	S	Bend	trans	-73.1	-34.3	-172.2	-73.6	0	0	0	0	112.2	I286 E298	I286-S288 VanDerWaalsContact C-N 3.32Å; I286-S288 PolarHBondContact O-N 3.44Å; I286-S288 PolarHBondContact O-OG 2.93Å; S288-E298 PolarHBondContact N-OE1 2.85Å
289	D	88.3	Confident	88.8	Confident	104 Å²	104	57.3 Å²	57.3	56%	0.556	29%	0.288	S	S	*	.	S	Bend	trans	-91.6	-8.4	179.3	78.6	6.4	0	0	0	114	D291	D289-D291 VanDerWaalsContact C-N 3.3Å; D289-D291 VanDerWaalsContact OD1-CB 3.25Å; D289-D291 WeakPolarHBondContact OD1-CB 3.38Å; D289-D291 PolarHBondContact OD1-N 2.6Å
290	R	89.8	Confident	89	Confident	205 Å²	205	55.6 Å²	55.6	77%	0.774	28%	0.282	S	S	*	.			trans	63.3	33.3	176.9	-57.3	-177.7	176.6	-176.2	-3.6	113	D287 G292	D287-R290 VanDerWaalsContact CG-CA 3.47Å; D287-R290 WeakPolarHBondContact OD1-CA 3.43Å; D287-R290 PolarHBondContact OD1-N 3.34Å; D287-R290 WeakPolarHBondContact OD2-CA 3.41Å; R290-G292 VanDerWaalsContact C-N 3.29Å
291	D	90.3	Very high	89.2	Confident	83 Å²	83	56.4 Å²	56.4	44%	0.444	29%	0.287	S	S	.	.	S	Bend	trans	-84	-6.4	175.6	85.3	-5.8	0	0	0	113.1	D287 D289 I293	D287-D291 PolarHBondContact OD1-N 3.26Å; D289-D291 VanDerWaalsContact C-N 3.3Å; D289-D291 VanDerWaalsContact OD1-CB 3.25Å; D289-D291 WeakPolarHBondContact OD1-CB 3.38Å; D289-D291 PolarHBondContact OD1-N 2.6Å; D291-I293 WeakPolarHBondContact OD1-CA 3.26Å; D291-I293 WeakPolarHBondContact OD1-CB 3.41Å; D291-I293 PolarHBondContact OD1-N 2.87Å; D291-I293 VanDerWaalsContact OD1-O 3.05Å
292	G	89.3	Confident	89.4	Confident	32 Å²	32	55.5 Å²	55.5	33%	0.33	28%	0.282	S	S	.	.	S	Bend	trans	81.6	13.1	179.5	0	0	0	0	0	113.9	D287 R290	D287-G292 VanDerWaalsContact OD2-CA 3.27Å; D287-G292 WeakPolarHBondContact OD2-CA 3.46Å; D287-G292 PolarHBondContact OD2-N 3.36Å; R290-G292 VanDerWaalsContact C-N 3.29Å
293	I	91.4	Very high	89.5	Confident	49 Å²	49	55.4 Å²	55.4	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.6	-177	-55.3	169.4	0	0	0	109.5	K248 D291 T295	K248-I293 HydrophobicContact CB-CG2 3.55Å; K248-I293 HydrophobicContact CD-CG2 3.89Å; K248-I293 HydrophobicContact CG-CG2 4.23Å; D291-I293 WeakPolarHBondContact OD1-CA 3.26Å; D291-I293 WeakPolarHBondContact OD1-CB 3.41Å; D291-I293 PolarHBondContact OD1-N 2.87Å; D291-I293 VanDerWaalsContact OD1-O 3.05Å; I293-T295 PolarHBondContact O-N 3.05Å
294	V	91.9	Very high	89.6	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	175.2	167.1	0	0	0	0	110.1	L249 F282 I286 D287 L299	L249-V294 HydrophobicContact CB-CB 4.19Å; L249-V294 PolarHBondContact N-O 2.92Å; L249-V294 PolarHBondContact O-N 2.82Å; F282-V294 HydrophobicContact CD2-CG2 3.61Å; F282-V294 HydrophobicContact CE1-CG2 4.42Å; F282-V294 HydrophobicContact CE2-CB 3.9Å; F282-V294 HydrophobicContact CE2-CG2 3.27Å; F282-V294 HydrophobicContact CG-CG2 4.35Å; F282-V294 HydrophobicContact CZ-CB 4.43Å; F282-V294 HydrophobicContact CZ-CG2 3.71Å; I286-V294 HydrophobicContact CB-CG2 4Å; I286-V294 HydrophobicContact CG2-CB 4.18Å; I286-V294 HydrophobicContact CG2-CG1 3.53Å; I286-V294 HydrophobicContact CG2-CG2 3.49Å; I286-V294 VanDerWaalsContact CG2-CG2 3.49Å; D287-V294 HydrophobicContact CB-CG2 4.45Å; V294-L299 HydrophobicContact CG1-CB 4.03Å
295	T	92.4	Very high	89.7	Confident	40 Å²	40	48.4 Å²	48.4	25%	0.245	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	161.3	173.8	66	0	0	0	0	112	I293 N297 E298 L299	I293-T295 PolarHBondContact O-N 3.05Å; T295-N297 PolarHBondContact O-N 3.4Å; T295-E298 WeakPolarHBondContact CB-OE2 3.28Å; T295-E298 PolarHBondContact N-OE2 2.97Å; T295-E298 PolarHBondContact O-N 3.03Å; T295-E298 WeakPolarHBondContact OG1-CG 3.39Å; T295-E298 PolarHBondContact OG1-N 3.3Å; T295-E298 PolarHBondContact OG1-OE2 3.29Å; T295-L299 PolarHBondContact O-N 3.12Å
296	M	90.9	Very high	90	Very high	41 Å²	41	50.5 Å²	50.5	20%	0.202	26%	0.262	C	S	.	.	H	α-helix	trans	-54.5	-35.5	174.2	-74.6	-169	72.5	0	0	113.2	V234 K235 V238 W247 E300	V234-M296 HydrophobicContact CG1-CE 4.4Å; K235-M296 HydrophobicContact CB-CE 3.73Å; K235-M296 HydrophobicContact CG-CE 4.02Å; V238-M296 HydrophobicContact CG2-CG 4.25Å; W247-M296 HydrophobicContact CE3-SD 4.04Å; M296-E300 WeakPolarHBondContact O-CB 3.3Å; M296-E300 PolarHBondContact O-N 3.38Å
297	N	91.6	Very high	90.1	Very high	107 Å²	107	52 Å²	52	57%	0.572	27%	0.27	S	S	*	.	H	α-helix	trans	-71.2	-40.8	-178.6	-67.4	-16.5	0	0	0	111.4	T295 L299 E300 E301	T295-N297 PolarHBondContact O-N 3.4Å; N297-L299 VanDerWaalsContact C-N 3.33Å; N297-E300 PolarHBondContact O-N 2.83Å; N297-E301 WeakPolarHBondContact O-CG 3.36Å; N297-E301 PolarHBondContact O-N 3.38Å
298	E	91.9	Very high	90	Very high	19 Å²	19	57.5 Å²	57.5	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-39.8	176.7	-71.7	165.3	129.8	0	0	111.2	S288 T295 E301 Y302	S288-E298 PolarHBondContact N-OE1 2.85Å; T295-E298 WeakPolarHBondContact CB-OE2 3.28Å; T295-E298 PolarHBondContact N-OE2 2.97Å; T295-E298 PolarHBondContact O-N 3.03Å; T295-E298 WeakPolarHBondContact OG1-CG 3.39Å; T295-E298 PolarHBondContact OG1-N 3.3Å; T295-E298 PolarHBondContact OG1-OE2 3.29Å; E298-E301 PolarHBondContact O-N 2.9Å; E298-Y302 WeakPolarHBondContact O-CB 3.35Å; E298-Y302 PolarHBondContact O-N 2.8Å
299	L	90.7	Very high	90.2	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-35.9	175	-169	59.1	0	0	0	111.9	M63 V234 I237 V238 L249 I286 V294 T295 N297 Y302 M303	M63-L299 HydrophobicContact SD-CD1 3.99Å; V234-L299 HydrophobicContact CG1-CB 3.95Å; V234-L299 HydrophobicContact CG1-CD2 4.03Å; V234-L299 HydrophobicContact CG1-CG 4.02Å; V234-L299 HydrophobicContact CG2-CG 4.41Å; I237-L299 HydrophobicContact CB-CD2 4.48Å; I237-L299 HydrophobicContact CG2-CD2 4.03Å; V238-L299 HydrophobicContact CG2-CD2 3.88Å; L249-L299 HydrophobicContact CD1-CD2 4.26Å; I286-L299 HydrophobicContact CG2-CD1 4.43Å; V294-L299 HydrophobicContact CG1-CB 4.03Å; T295-L299 PolarHBondContact O-N 3.12Å; N297-L299 VanDerWaalsContact C-N 3.33Å; L299-Y302 HydrophobicContact CD1-CD1 3.96Å; L299-Y302 PolarHBondContact O-N 3.06Å; L299-M303 HydrophobicContact CD1-CG 4.38Å; L299-M303 HydrophobicContact CG-CG 4.46Å; L299-M303 VanDerWaalsContact O-CB 3.28Å; L299-M303 WeakPolarHBondContact O-CB 3.49Å; L299-M303 WeakPolarHBondContact O-CG 3.4Å; L299-M303 PolarHBondContact O-N 3.05Å
300	E	91.3	Very high	90.2	Very high	49 Å²	49	54.7 Å²	54.7	23%	0.229	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-42.8	172.1	-172.1	177.2	162.6	0	0	111.6	V234 M296 N297 M303 D304	V234-E300 HydrophobicContact CG2-CB 4.31Å; M296-E300 WeakPolarHBondContact O-CB 3.3Å; M296-E300 PolarHBondContact O-N 3.38Å; N297-E300 PolarHBondContact O-N 2.83Å; E300-M303 PolarHBondContact O-N 2.68Å; E300-D304 PolarHBondContact O-N 2.78Å
301	E	90.9	Very high	90.3	Very high	111 Å²	111	45.2 Å²	45.2	52%	0.519	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-38.2	175.1	-75.8	-174.1	-164.8	0	0	112.5	N297 E298 D304 N307 N310	N297-E301 WeakPolarHBondContact O-CG 3.36Å; N297-E301 PolarHBondContact O-N 3.38Å; E298-E301 PolarHBondContact O-N 2.9Å; E301-D304 PolarHBondContact O-N 3.3Å; E301-N307 PolarHBondContact O-ND2 3.36Å; E301-N310 PolarHBondContact O-ND2 3.49Å
302	Y	90.1	Very high	90.4	Very high	9 Å²	9	43 Å²	43	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-41.8	175	172.8	-102.4	0	0	0	112.1	K62 M63 V285 I286 E298 L299 D304 N310	K62-Y302 HydrophobicContact CB-CE1 3.66Å; K62-Y302 HydrophobicContact CB-CE2 4.32Å; K62-Y302 WeakPolarHBondContact CB-OH 3.22Å; K62-Y302 HydrophobicContact CD-CD2 4.16Å; K62-Y302 HydrophobicContact CD-CE1 4.32Å; K62-Y302 HydrophobicContact CD-CE2 3.44Å; K62-Y302 VanDerWaalsContact CD-CE2 3.44Å; M63-Y302 HydrophobicContact CG-CE1 3.85Å; M63-Y302 HydrophobicContact SD-CD1 4.19Å; M63-Y302 HydrophobicContact SD-CE1 3.6Å; M63-Y302 VanDerWaalsContact SD-CE1 3.6Å; V285-Y302 HydrophobicContact CB-CE2 4.32Å; V285-Y302 HydrophobicContact CG1-CD2 3.82Å; V285-Y302 HydrophobicContact CG1-CE2 3.83Å; I286-Y302 HydrophobicContact CD1-CD1 4.26Å; I286-Y302 HydrophobicContact CD1-CD2 4.36Å; I286-Y302 HydrophobicContact CD1-CE1 4.15Å; I286-Y302 HydrophobicContact CD1-CE2 4.22Å; I286-Y302 HydrophobicContact CD1-CG 4.35Å; I286-Y302 HydrophobicContact CG1-CD1 4.18Å; I286-Y302 HydrophobicContact CG1-CD2 3.53Å; I286-Y302 HydrophobicContact CG1-CE1 4.34Å; I286-Y302 HydrophobicContact CG1-CE2 3.69Å; I286-Y302 HydrophobicContact CG1-CG 3.76Å; E298-Y302 WeakPolarHBondContact O-CB 3.35Å; E298-Y302 PolarHBondContact O-N 2.8Å; L299-Y302 HydrophobicContact CD1-CD1 3.96Å; L299-Y302 PolarHBondContact O-N 3.06Å; Y302-D304 VanDerWaalsContact C-N 3.34Å; Y302-N310 WeakPolarHBondContact CA-ND2 3.45Å; Y302-N310 PolarHBondContact O-ND2 2.87Å
303	M	88.9	Confident	90.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-78.1	-15.1	-179.7	-71	-62.1	-76.3	0	0	113.6	L61 M63 L230 M233 V234 I237 L299 E300 P305	L61-M303 HydrophobicContact CB-CE 4.28Å; L61-M303 HydrophobicContact CD1-CE 4.12Å; L61-M303 VanDerWaalsContact CD2-O 3.28Å; L61-M303 WeakPolarHBondContact CD2-O 3.23Å; M63-M303 HydrophobicContact CB-CE 3.97Å; M63-M303 HydrophobicContact CB-SD 3.63Å; M63-M303 HydrophobicContact CG-SD 4.24Å; M63-M303 WeakPolarHBondContact O-CE 3.22Å; M63-M303 HydrophobicContact SD-SD 4.45Å; L230-M303 HydrophobicContact CD1-CB 4.01Å; L230-M303 HydrophobicContact CD2-CB 4.49Å; L230-M303 HydrophobicContact CG-CB 4.33Å; M233-M303 HydrophobicContact CE-CE 3.83Å; V234-M303 HydrophobicContact CG2-CB 4.21Å; V234-M303 HydrophobicContact CG2-CG 4.07Å; I237-M303 HydrophobicContact CD1-CE 4.39Å; L299-M303 HydrophobicContact CD1-CG 4.38Å; L299-M303 HydrophobicContact CG-CG 4.46Å; L299-M303 VanDerWaalsContact O-CB 3.28Å; L299-M303 WeakPolarHBondContact O-CB 3.49Å; L299-M303 WeakPolarHBondContact O-CG 3.4Å; L299-M303 PolarHBondContact O-N 3.05Å; E300-M303 PolarHBondContact O-N 2.68Å; M303-P305 WeakPolarHBondContact O-CD 3.12Å
304	D	90.6	Very high	90.4	Very high	45 Å²	45	41 Å²	41	24%	0.241	21%	0.206	C	C	.	.			trans	-69.7	109.9	178.7	-176.1	-9.7	0	0	0	110.8	L230 E300 E301 Y302 M306 N307	L230-D304 HydrophobicContact CD2-CB 4.3Å; E300-D304 PolarHBondContact O-N 2.78Å; E301-D304 PolarHBondContact O-N 3.3Å; Y302-D304 VanDerWaalsContact C-N 3.34Å; D304-M306 PolarHBondContact O-N 3.12Å; D304-M306 WeakPolarHBondContact OD1-CB 3.43Å; D304-M306 PolarHBondContact OD1-N 2.8Å; D304-N307 HydrophobicContact CB-CB 4.11Å; D304-N307 VanDerWaalsContact O-CB 3.24Å; D304-N307 WeakPolarHBondContact O-CB 3.36Å; D304-N307 PolarHBondContact O-N 3.16Å; D304-N307 VanDerWaalsContact O-N 3.13Å
305	P	87.7	Confident	90.5	Very high	19 Å²	19	41 Å²	41	12%	0.123	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.5	-176.5	33.6	-38.4	0	0	0	112.8	G60 L61 T127 F131 E224 M303	G60-P305 WeakPolarHBondContact O-CB 3.35Å; L61-P305 HydrophobicContact CD2-CB 4.13Å; L61-P305 HydrophobicContact CD2-CG 4.04Å; T127-P305 HydrophobicContact CG2-CB 3.78Å; T127-P305 HydrophobicContact CG2-CG 4.43Å; F131-P305 HydrophobicContact CE1-CG 4.07Å; F131-P305 HydrophobicContact CE2-CG 4.46Å; F131-P305 HydrophobicContact CZ-CB 4.42Å; F131-P305 HydrophobicContact CZ-CG 3.47Å; F131-P305 VanDerWaalsContact CZ-CG 3.47Å; E224-P305 HydrophobicContact CB-CG 4.47Å; M303-P305 WeakPolarHBondContact O-CD 3.12Å
306	M	88.3	Confident	90.5	Very high	54 Å²	54	43.8 Å²	43.8	27%	0.266	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2	175.6	-69.1	-66.6	160.6	0	0	112.8	T127 K128 F131 D304 E308	T127-M306 HydrophobicContact CG2-CE 3.42Å; T127-M306 VanDerWaalsContact CG2-CE 3.42Å; T127-M306 HydrophobicContact CG2-SD 4.35Å; K128-M306 HydrophobicContact CB-CE 4.46Å; K128-M306 HydrophobicContact CG-CE 3.71Å; K128-M306 HydrophobicContact CG-SD 3.94Å; F131-M306 HydrophobicContact CD1-CE 4.3Å; F131-M306 HydrophobicContact CD2-CE 3.35Å; F131-M306 HydrophobicContact CE1-CE 4.33Å; F131-M306 HydrophobicContact CE2-CE 3.39Å; F131-M306 HydrophobicContact CE2-CG 4.01Å; F131-M306 HydrophobicContact CG-CE 3.85Å; F131-M306 HydrophobicContact CZ-CE 3.92Å; D304-M306 PolarHBondContact O-N 3.12Å; D304-M306 WeakPolarHBondContact OD1-CB 3.43Å; D304-M306 PolarHBondContact OD1-N 2.8Å; M306-E308 PolarHBondContact O-N 3.04Å; M306-E308 VanDerWaalsContact O-N 3.08Å
307	N	90.6	Very high	90.4	Very high	32 Å²	32	43.6 Å²	43.6	17%	0.171	21%	0.213	C	C	.	.			trans	-69.3	106.7	177.8	-171.5	-25.7	0	0	0	111.1	E301 D304 H309 N310 A311	E301-N307 PolarHBondContact O-ND2 3.36Å; D304-N307 HydrophobicContact CB-CB 4.11Å; D304-N307 VanDerWaalsContact O-CB 3.24Å; D304-N307 WeakPolarHBondContact O-CB 3.36Å; D304-N307 PolarHBondContact O-N 3.16Å; D304-N307 VanDerWaalsContact O-N 3.13Å; N307-H309 PolarHBondContact O-N 2.7Å; N307-H309 VanDerWaalsContact OD1-CB 3.32Å; N307-H309 WeakPolarHBondContact OD1-CB 3.42Å; N307-H309 PolarHBondContact OD1-N 3Å; N307-N310 HydrophobicContact CB-CB 4.15Å; N307-N310 PolarHBondContact ND2-ND2 3.07Å; N307-N310 PolarHBondContact O-N 3.05Å; N307-N310 VanDerWaalsContact O-N 3.15Å; N307-N310 PolarHBondContact OD1-N 2.96Å; N307-A311 PolarHBondContact O-N 3.34Å
308	E	89	Confident	90.4	Very high	128 Å²	128	38.6 Å²	38.6	60%	0.598	19%	0.186	S	C	*	.	H	α-helix	trans	-60.6	-29.5	-179.1	-69.7	-170.5	-177.6	0	0	113.2	Q120 M306 L312	Q120-E308 PolarHBondContact NE2-O 3.48Å; M306-E308 PolarHBondContact O-N 3.04Å; M306-E308 VanDerWaalsContact O-N 3.08Å; E308-L312 PolarHBondContact O-N 3.07Å; E308-L312 VanDerWaalsContact O-N 3.07Å
309	H	88.6	Confident	90.4	Very high	109 Å²	109	38 Å²	38	51%	0.505	18%	0.184	S	C	.	.	H	α-helix	trans	-67.5	-44.8	177.3	-174.4	71.1	0	0	0	110.9	N307 L312 N313	N307-H309 PolarHBondContact O-N 2.7Å; N307-H309 VanDerWaalsContact OD1-CB 3.32Å; N307-H309 WeakPolarHBondContact OD1-CB 3.42Å; N307-H309 PolarHBondContact OD1-N 3Å; H309-L312 WeakPolarHBondContact O-CB 3.41Å; H309-L312 PolarHBondContact O-N 3.23Å; H309-N313 PolarHBondContact CD2-ND2 2.93Å; H309-N313 VanDerWaalsContact CD2-ND2 3.35Å; H309-N313 PolarHBondContact NE2-ND2 3.45Å; H309-N313 PolarHBondContact O-N 3.42Å
310	N	88.8	Confident	90.4	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.08	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-43	178.1	-63	-5.3	0	0	0	110.9	E301 Y302 N307 L312 N313 E314	E301-N310 PolarHBondContact O-ND2 3.49Å; Y302-N310 WeakPolarHBondContact CA-ND2 3.45Å; Y302-N310 PolarHBondContact O-ND2 2.87Å; N307-N310 HydrophobicContact CB-CB 4.15Å; N307-N310 PolarHBondContact ND2-ND2 3.07Å; N307-N310 PolarHBondContact O-N 3.05Å; N307-N310 VanDerWaalsContact O-N 3.15Å; N307-N310 PolarHBondContact OD1-N 2.96Å; N310-L312 PolarHBondContact O-N 3.06Å; N310-N313 PolarHBondContact O-N 3.47Å; N310-N313 VanDerWaalsContact O-N 3.08Å; N310-E314 WeakPolarHBondContact O-CB 3.49Å; N310-E314 PolarHBondContact O-N 3.4Å
311	A	91.6	Very high	90.4	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-35.4	174.2	0	0	0	0	0	112.3	Q120 I123 V124 N307 A315	Q120-A311 HydrophobicContact CG-CB 4.07Å; I123-A311 HydrophobicContact CG2-CB 4.05Å; V124-A311 HydrophobicContact CG2-CB 3.71Å; N307-A311 PolarHBondContact O-N 3.34Å; A311-A315 VanDerWaalsContact O-CB 3.28Å; A311-A315 WeakPolarHBondContact O-CB 3.38Å; A311-A315 PolarHBondContact O-N 3.46Å
312	L	92.3	Very high	90.3	Very high	37 Å²	37	37.1 Å²	37.1	19%	0.194	20%	0.197	C	C	.	.	H	α-helix	trans	-72.3	-38.2	175.6	-178.6	61.3	0	0	0	112.4	A116 Q120 E308 H309 N310 K316	A116-L312 HydrophobicContact CB-CD1 4.2Å; Q120-L312 HydrophobicContact CB-CB 4.49Å; Q120-L312 HydrophobicContact CB-CD1 4.17Å; Q120-L312 HydrophobicContact CG-CB 4.03Å; Q120-L312 HydrophobicContact CG-CD1 4.47Å; E308-L312 PolarHBondContact O-N 3.07Å; E308-L312 VanDerWaalsContact O-N 3.07Å; H309-L312 WeakPolarHBondContact O-CB 3.41Å; H309-L312 PolarHBondContact O-N 3.23Å; N310-L312 PolarHBondContact O-N 3.06Å; L312-K316 VanDerWaalsContact O-CG 3.31Å; L312-K316 WeakPolarHBondContact O-CG 3.42Å; L312-K316 PolarHBondContact O-N 3.17Å
313	N	90.1	Very high	90.4	Very high	29 Å²	29	37.6 Å²	37.6	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-41.9	176.9	-69.2	-20.2	0	0	0	110.6	H309 N310 K316 Q317	H309-N313 PolarHBondContact CD2-ND2 2.93Å; H309-N313 VanDerWaalsContact CD2-ND2 3.35Å; H309-N313 PolarHBondContact NE2-ND2 3.45Å; H309-N313 PolarHBondContact O-N 3.42Å; N310-N313 PolarHBondContact O-N 3.47Å; N310-N313 VanDerWaalsContact O-N 3.08Å; N313-K316 WeakPolarHBondContact O-CB 3.1Å; N313-K316 PolarHBondContact O-N 3.43Å; N313-Q317 WeakPolarHBondContact O-CG 3.45Å; N313-Q317 PolarHBondContact O-N 3.08Å
314	E	90.9	Very high	90.4	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-49.9	172.6	-170.2	61.1	-141.7	0	0	111.3	K62 F73 V77 I123 N310 K316 Q317 M318	K62-E314 WeakPolarHBondContact CE-OE2 3.44Å; K62-E314 IonicContact NZ-OE2 2.93Å; K62-E314 PolarHBondContact NZ-OE2 2.91Å; F73-E314 HydrophobicContact CD1-CG 4.43Å; F73-E314 HydrophobicContact CE1-CG 3.74Å; F73-E314 WeakPolarHBondContact CE1-OE2 3.44Å; V77-E314 HydrophobicContact CG2-CG 4.38Å; I123-E314 HydrophobicContact CD1-CB 4.09Å; I123-E314 HydrophobicContact CD1-CG 4.03Å; N310-E314 WeakPolarHBondContact O-CB 3.49Å; N310-E314 PolarHBondContact O-N 3.4Å; E314-K316 PolarHBondContact O-N 3.18Å; E314-Q317 PolarHBondContact O-N 3.4Å; E314-Q317 PolarHBondContact OE2-OE1 3.34Å; E314-M318 HydrophobicContact CG-CG 4.43Å; E314-M318 HydrophobicContact CG-SD 4.13Å; E314-M318 WeakPolarHBondContact O-CG 3.18Å; E314-M318 PolarHBondContact O-N 2.86Å
315	A	93.3	Very high	90.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-54.3	-40.9	176	0	0	0	0	0	112.9	A116 M119 Q120 I123 A311 I319	A116-A315 WeakPolarHBondContact O-CB 3.48Å; M119-A315 HydrophobicContact CB-CB 3.75Å; M119-A315 HydrophobicContact CG-CB 3.73Å; Q120-A315 HydrophobicContact CB-CB 4.23Å; I123-A315 HydrophobicContact CD1-CB 4.05Å; A311-A315 VanDerWaalsContact O-CB 3.28Å; A311-A315 WeakPolarHBondContact O-CB 3.38Å; A311-A315 PolarHBondContact O-N 3.46Å; A315-I319 WeakPolarHBondContact O-CD1 3.49Å; A315-I319 VanDerWaalsContact O-CG1 3.23Å; A315-I319 WeakPolarHBondContact O-CG1 3.09Å; A315-I319 PolarHBondContact O-N 3.44Å; A315-I319 VanDerWaalsContact O-N 3.12Å
316	K	92.1	Very high	90.6	Very high	100 Å²	100	49.5 Å²	49.5	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-69.2	-40.9	176.2	-71	167.9	-172.6	160.5	0	112.2	A116 L312 N313 E314 I319 A320	A116-K316 HydrophobicContact CB-CG 4.06Å; L312-K316 VanDerWaalsContact O-CG 3.31Å; L312-K316 WeakPolarHBondContact O-CG 3.42Å; L312-K316 PolarHBondContact O-N 3.17Å; N313-K316 WeakPolarHBondContact O-CB 3.1Å; N313-K316 PolarHBondContact O-N 3.43Å; E314-K316 PolarHBondContact O-N 3.18Å; K316-I319 PolarHBondContact O-N 2.69Å; K316-A320 VanDerWaalsContact O-CB 3.27Å; K316-A320 WeakPolarHBondContact O-CB 3.39Å; K316-A320 PolarHBondContact O-N 3.17Å
317	Q	89.6	Confident	90.7	Very high	37 Å²	37	49.6 Å²	49.6	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-48.2	177.2	-74.3	176.8	-29.6	0	0	110.3	E281 N313 E314 I319 A320 V321	E281-Q317 PolarHBondContact OE1-NE2 3.07Å; N313-Q317 WeakPolarHBondContact O-CG 3.45Å; N313-Q317 PolarHBondContact O-N 3.08Å; E314-Q317 PolarHBondContact O-N 3.4Å; E314-Q317 PolarHBondContact OE2-OE1 3.34Å; Q317-I319 VanDerWaalsContact C-N 3.33Å; Q317-I319 PolarHBondContact O-N 3.47Å; Q317-A320 PolarHBondContact O-N 3.14Å; Q317-A320 VanDerWaalsContact O-N 3.12Å; Q317-V321 WeakPolarHBondContact O-CG2 3.5Å; Q317-V321 PolarHBondContact O-N 3.02Å; Q317-V321 VanDerWaalsContact O-N 3.07Å
318	M	91.2	Very high	90.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-43.2	176.5	-69	173.5	58.2	0	0	112.6	H74 F78 M119 I123 E314 Y341 F342	H74-M318 HydrophobicContact CB-CG 4.5Å; F78-M318 HydrophobicContact CB-CE 3.93Å; F78-M318 HydrophobicContact CD2-CE 3.61Å; F78-M318 HydrophobicContact CE2-CE 4.47Å; F78-M318 HydrophobicContact CG-CE 3.98Å; M119-M318 HydrophobicContact CE-CE 3.97Å; M119-M318 HydrophobicContact CG-CE 4.3Å; M119-M318 HydrophobicContact CG-SD 4.42Å; M119-M318 HydrophobicContact SD-CE 3.7Å; M119-M318 HydrophobicContact SD-SD 4.5Å; I123-M318 HydrophobicContact CD1-SD 3.96Å; E314-M318 HydrophobicContact CG-CG 4.43Å; E314-M318 HydrophobicContact CG-SD 4.13Å; E314-M318 WeakPolarHBondContact O-CG 3.18Å; E314-M318 PolarHBondContact O-N 2.86Å; M318-Y341 HydrophobicContact CB-CE1 4.31Å; M318-Y341 HydrophobicContact CG-CE1 4.13Å; M318-F342 HydrophobicContact CB-CE1 4.27Å; M318-F342 HydrophobicContact CE-CD1 3.8Å; M318-F342 HydrophobicContact CE-CE1 3.53Å
319	I	92.8	Very high	91	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-47.6	175.1	-68.8	169	0	0	0	110.2	A116 A315 K316 Q317 V321 A322 D323 L330	A116-I319 VanDerWaalsContact CA-CD1 3.45Å; A116-I319 HydrophobicContact CB-CD1 3.88Å; A315-I319 WeakPolarHBondContact O-CD1 3.49Å; A315-I319 VanDerWaalsContact O-CG1 3.23Å; A315-I319 WeakPolarHBondContact O-CG1 3.09Å; A315-I319 PolarHBondContact O-N 3.44Å; A315-I319 VanDerWaalsContact O-N 3.12Å; K316-I319 PolarHBondContact O-N 2.69Å; Q317-I319 VanDerWaalsContact C-N 3.33Å; Q317-I319 PolarHBondContact O-N 3.47Å; I319-V321 PolarHBondContact O-N 3.21Å; I319-V321 VanDerWaalsContact O-N 3.16Å; I319-A322 PolarHBondContact O-N 2.84Å; I319-D323 HydrophobicContact CG2-CB 4Å; I319-D323 WeakPolarHBondContact O-CB 3.36Å; I319-D323 PolarHBondContact O-N 3.15Å; I319-L330 HydrophobicContact CG1-CB 4.28Å
320	A	90.8	Very high	91.2	Very high	75 Å²	75	48.2 Å²	48.2	62%	0.62	25%	0.246	S	C	*	.	H	α-helix	trans	-61.4	-26.5	-176.6	0	0	0	0	0	114	K316 Q317	K316-A320 VanDerWaalsContact O-CB 3.27Å; K316-A320 WeakPolarHBondContact O-CB 3.39Å; K316-A320 PolarHBondContact O-N 3.17Å; Q317-A320 PolarHBondContact O-N 3.14Å; Q317-A320 VanDerWaalsContact O-N 3.12Å
321	V	89.8	Confident	91.4	Very high	66 Å²	66	50.7 Å²	50.7	40%	0.4	26%	0.256	S	S	.	.	H	α-helix	trans	-71.6	-32.8	176.2	171.6	0	0	0	0	112	Q317 I319 Y338 Y341	Q317-V321 WeakPolarHBondContact O-CG2 3.5Å; Q317-V321 PolarHBondContact O-N 3.02Å; Q317-V321 VanDerWaalsContact O-N 3.07Å; I319-V321 PolarHBondContact O-N 3.21Å; I319-V321 VanDerWaalsContact O-N 3.16Å; V321-Y338 WeakPolarHBondContact O-CE1 3.17Å; V321-Y341 HydrophobicContact CB-CD1 4.44Å; V321-Y341 HydrophobicContact CB-CE1 4.21Å; V321-Y341 HydrophobicContact CG1-CD1 4.02Å; V321-Y341 HydrophobicContact CG1-CD2 3.95Å; V321-Y341 HydrophobicContact CG1-CE1 4.21Å; V321-Y341 HydrophobicContact CG1-CE2 4.15Å; V321-Y341 HydrophobicContact CG1-CG 3.89Å; V321-Y341 HydrophobicContact CG2-CE1 4.36Å; V321-Y341 HydrophobicContact CG2-CE2 4.26Å
322	A	89.9	Confident	91.3	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-111.8	-16.9	-171.3	0	0	0	0	0	114.9	I319 E324 L330 E334 Y338 F342	I319-A322 PolarHBondContact O-N 2.84Å; A322-E324 PolarHBondContact O-N 3.08Å; A322-L330 HydrophobicContact CB-CD1 3.45Å; A322-L330 VanDerWaalsContact CB-CD1 3.45Å; A322-E334 WeakPolarHBondContact O-CB 3.44Å; A322-Y338 HydrophobicContact CB-CD2 3.82Å; A322-Y338 HydrophobicContact CB-CG 3.79Å; A322-F342 HydrophobicContact CB-CE2 3.86Å; A322-F342 HydrophobicContact CB-CZ 4.11Å
323	D	91.5	Very high	91.2	Very high	19 Å²	19	57 Å²	57	10%	0.102	29%	0.285	C	S	.	.			trans	-70.2	91.4	178.2	177.6	11.4	0	0	0	110.9	I319 N325 Q326 N327 H328	I319-D323 HydrophobicContact CG2-CB 4Å; I319-D323 WeakPolarHBondContact O-CB 3.36Å; I319-D323 PolarHBondContact O-N 3.15Å; D323-N325 PolarHBondContact OD1-OD1 3.07Å; D323-Q326 WeakPolarHBondContact OD1-CA 3.33Å; D323-Q326 PolarHBondContact OD1-N 3.05Å; D323-Q326 WeakPolarHBondContact OD2-CA 3.48Å; D323-N327 PolarHBondContact OD1-N 3.33Å; D323-N327 PolarHBondContact OD2-N 3.01Å; D323-H328 VanDerWaalsContact OD2-CA 3.22Å; D323-H328 WeakPolarHBondContact OD2-CA 3.15Å; D323-H328 PolarHBondContact OD2-N 3Å
324	E	89.9	Confident	91.2	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.383	28%	0.28	S	S	.	.	S	Bend	trans	-77.5	-32.5	-179.3	-70.2	-166.9	170.2	0	0	111.8	A322 Q326 E334 R337 Y338	A322-E324 PolarHBondContact O-N 3.08Å; E324-Q326 VanDerWaalsContact C-N 3.31Å; E324-E334 PolarHBondContact N-OE1 2.91Å; E324-R337 VanDerWaalsContact CD-CZ 3.45Å; E324-R337 VanDerWaalsContact CD-NH1 3.26Å; E324-R337 WeakPolarHBondContact OE1-CD 3.18Å; E324-R337 IonicContact OE1-CZ 3.01Å; E324-R337 IonicContact OE1-NE 3.99Å; E324-R337 PolarHBondContact OE1-NE 3.22Å; E324-R337 IonicContact OE1-NH1 2.92Å; E324-R337 PolarHBondContact OE1-NH1 3.01Å; E324-R337 IonicContact OE1-NH2 3.93Å; E324-R337 PolarHBondContact OE1-NH2 3.24Å; E324-R337 IonicContact OE2-CZ 3.68Å; E324-R337 IonicContact OE2-NH1 2.72Å; E324-R337 PolarHBondContact OE2-NH1 2.87Å; E324-R337 IonicContact OE2-NH2 3Å; E324-Y338 HydrophobicContact CG-CE2 3.73Å; E324-Y338 WeakPolarHBondContact OE1-CE2 3.31Å; E324-Y338 PolarHBondContact OE1-OH 3.13Å
325	N	90.7	Very high	91.1	Very high	78 Å²	78	55.8 Å²	55.8	42%	0.417	28%	0.279	S	S	.	.	S	Bend	trans	-89	-2.4	-175.3	71.7	25.5	0	0	0	112.9	D323 N327 E331 E334	D323-N325 PolarHBondContact OD1-OD1 3.07Å; N325-N327 PolarHBondContact ND2-ND2 3.31Å; N325-N327 PolarHBondContact O-N 2.9Å; N325-N327 WeakPolarHBondContact OD1-CB 3.34Å; N325-N327 PolarHBondContact OD1-N 3.13Å; N325-N327 PolarHBondContact OD1-ND2 3.09Å; N325-N327 VanDerWaalsContact OD1-ND2 3.13Å; N325-N327 PolarHBondContact OD1-OD1 3.1Å; N325-E331 PolarHBondContact ND2-OE1 2.97Å; N325-E331 VanDerWaalsContact ND2-OE1 3.08Å; N325-E334 PolarHBondContact N-OE1 3.31Å
326	Q	91.4	Very high	90.9	Very high	155 Å²	155	56.7 Å²	56.7	72%	0.724	28%	0.283	S	S	*	.			trans	57.9	33.4	178.1	-56.1	-173.3	-37.7	0	0	113	D323 E324 H328	D323-Q326 WeakPolarHBondContact OD1-CA 3.33Å; D323-Q326 PolarHBondContact OD1-N 3.05Å; D323-Q326 WeakPolarHBondContact OD2-CA 3.48Å; E324-Q326 VanDerWaalsContact C-N 3.31Å; Q326-H328 VanDerWaalsContact C-N 3.29Å
327	N	90.9	Very high	90.6	Very high	57 Å²	57	58.2 Å²	58.2	31%	0.305	29%	0.286	S	S	.	.	S	Bend	trans	-87.7	1.4	179.1	76	9.5	0	0	0	113	D323 N325 R329 E331	D323-N327 PolarHBondContact OD1-N 3.33Å; D323-N327 PolarHBondContact OD2-N 3.01Å; N325-N327 PolarHBondContact ND2-ND2 3.31Å; N325-N327 PolarHBondContact O-N 2.9Å; N325-N327 WeakPolarHBondContact OD1-CB 3.34Å; N325-N327 PolarHBondContact OD1-N 3.13Å; N325-N327 PolarHBondContact OD1-ND2 3.09Å; N325-N327 VanDerWaalsContact OD1-ND2 3.13Å; N325-N327 PolarHBondContact OD1-OD1 3.1Å; N327-R329 PolarHBondContact O-N 2.9Å; N327-R329 WeakPolarHBondContact OD1-CA 3.18Å; N327-R329 VanDerWaalsContact OD1-CB 3.3Å; N327-R329 WeakPolarHBondContact OD1-CB 3.49Å; N327-R329 PolarHBondContact OD1-N 2.89Å; N327-R329 PolarHBondContact OD1-O 2.98Å; N327-E331 PolarHBondContact ND2-OE1 3.47Å
328	H	91.7	Very high	90.5	Very high	148 Å²	148	60.1 Å²	60.1	69%	0.685	29%	0.293	S	S	*	.	S	Bend	trans	61.2	26.9	-177.5	-54.9	-53.3	0	0	0	114.3	D323 Q326	D323-H328 VanDerWaalsContact OD2-CA 3.22Å; D323-H328 WeakPolarHBondContact OD2-CA 3.15Å; D323-H328 PolarHBondContact OD2-N 3Å; Q326-H328 VanDerWaalsContact C-N 3.29Å
329	R	93.3	Very high	90.3	Very high	92 Å²	92	60.1 Å²	60.1	35%	0.347	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.9	176	-59.2	173.3	170.7	-94.5	-4.2	108	D111 S113 V114 N327	D111-R329 IonicContact OD2-NH1 3.44Å; D111-R329 PolarHBondContact OD2-NH1 3.01Å; S113-R329 PolarHBondContact OG-NH1 3.36Å; V114-R329 WeakPolarHBondContact O-CA 3.35Å; N327-R329 PolarHBondContact O-N 2.9Å; N327-R329 WeakPolarHBondContact OD1-CA 3.18Å; N327-R329 VanDerWaalsContact OD1-CB 3.3Å; N327-R329 WeakPolarHBondContact OD1-CB 3.49Å; N327-R329 PolarHBondContact OD1-N 2.89Å; N327-R329 PolarHBondContact OD1-O 2.98Å
330	L	93.1	Very high	89.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.1	177.5	-171.6	67.8	0	0	0	109.5	F103 S113 V114 M119 I319 A322 E334 I335 F342	F103-L330 WeakPolarHBondContact CE2-O 3.4Å; S113-L330 CarbonylContact C-O 3.58Å; S113-L330 WeakPolarHBondContact CA-O 3.43Å; V114-L330 HydrophobicContact CB-CB 4.26Å; V114-L330 PolarHBondContact N-O 2.7Å; V114-L330 PolarHBondContact O-N 3.04Å; M119-L330 HydrophobicContact CE-CD2 3.99Å; I319-L330 HydrophobicContact CG1-CB 4.28Å; A322-L330 HydrophobicContact CB-CD1 3.45Å; A322-L330 VanDerWaalsContact CB-CD1 3.45Å; L330-E334 HydrophobicContact CD1-CB 3.78Å; L330-I335 HydrophobicContact CD1-CB 4.49Å; L330-I335 HydrophobicContact CD2-CB 3.91Å; L330-I335 HydrophobicContact CD2-CD1 3.78Å; L330-I335 HydrophobicContact CD2-CG1 3.87Å; L330-I335 HydrophobicContact CG-CB 4.1Å; L330-F342 HydrophobicContact CD1-CZ 4.45Å; L330-F342 HydrophobicContact CD2-CE1 4.06Å; L330-F342 HydrophobicContact CD2-CE2 4.35Å; L330-F342 HydrophobicContact CD2-CZ 3.64Å
331	E	92.6	Very high	89.7	Confident	66 Å²	66	63.9 Å²	63.9	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	160.2	174.3	-65.8	176.6	-166.8	0	0	111.1	N325 N327 E333 E334 I335	N325-E331 PolarHBondContact ND2-OE1 2.97Å; N325-E331 VanDerWaalsContact ND2-OE1 3.08Å; N327-E331 PolarHBondContact ND2-OE1 3.47Å; E331-E333 VanDerWaalsContact C-N 3.25Å; E331-E333 PolarHBondContact O-N 2.73Å; E331-E334 HydrophobicContact CB-CG 4.34Å; E331-E334 PolarHBondContact N-OE2 3.45Å; E331-E334 WeakPolarHBondContact O-CB 3.47Å; E331-E334 PolarHBondContact O-N 3.03Å; E331-E334 VanDerWaalsContact O-N 3.13Å; E331-I335 PolarHBondContact O-N 3.26Å
332	L	90.1	Very high	89.5	Confident	44 Å²	44	60.8 Å²	60.8	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-35.7	-178.3	-178.6	64.1	0	0	0	111.8	I100 F103 E334 I335 L336	I100-L332 HydrophobicContact CG1-CD1 4.07Å; F103-L332 HydrophobicContact CB-CD1 3.9Å; F103-L332 HydrophobicContact CD1-CB 4.36Å; F103-L332 HydrophobicContact CD1-CD1 3.87Å; F103-L332 HydrophobicContact CD2-CD1 4.1Å; F103-L332 HydrophobicContact CE1-CB 4.09Å; F103-L332 HydrophobicContact CE1-CD1 4.45Å; F103-L332 HydrophobicContact CE2-CB 4.3Å; F103-L332 HydrophobicContact CG-CD1 3.68Å; F103-L332 HydrophobicContact CZ-CB 4.05Å; L332-E334 VanDerWaalsContact C-N 3.31Å; L332-E334 PolarHBondContact O-N 3.05Å; L332-I335 HydrophobicContact CD1-CG2 3.99Å; L332-I335 VanDerWaalsContact O-CG2 3.31Å; L332-I335 WeakPolarHBondContact O-CG2 3.39Å; L332-L336 HydrophobicContact CD1-CD1 4.46Å; L332-L336 HydrophobicContact CD1-CG 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.21Å; L332-L336 WeakPolarHBondContact O-CB 3.22Å; L332-L336 WeakPolarHBondContact O-CG 3.44Å; L332-L336 PolarHBondContact O-N 2.91Å
333	E	89.1	Confident	89.1	Confident	131 Å²	131	61.2 Å²	61.2	61%	0.612	28%	0.279	S	S	*	.	H	α-helix	trans	-64.3	-38.1	176.7	-70	74.9	-167.5	0	0	111.7	E331 R337	E331-E333 VanDerWaalsContact C-N 3.25Å; E331-E333 PolarHBondContact O-N 2.73Å; E333-R337 VanDerWaalsContact O-CB 3.31Å; E333-R337 WeakPolarHBondContact O-CB 3.39Å; E333-R337 PolarHBondContact O-N 3.28Å
334	E	91.3	Very high	88.4	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-70.4	-47.5	-179.8	-67.7	174.6	142.4	0	0	111.3	A322 E324 N325 L330 E331 L332 L336 R337 Y338	A322-E334 WeakPolarHBondContact O-CB 3.44Å; E324-E334 PolarHBondContact N-OE1 2.91Å; N325-E334 PolarHBondContact N-OE1 3.31Å; L330-E334 HydrophobicContact CD1-CB 3.78Å; E331-E334 HydrophobicContact CB-CG 4.34Å; E331-E334 PolarHBondContact N-OE2 3.45Å; E331-E334 WeakPolarHBondContact O-CB 3.47Å; E331-E334 PolarHBondContact O-N 3.03Å; E331-E334 VanDerWaalsContact O-N 3.13Å; L332-E334 VanDerWaalsContact C-N 3.31Å; L332-E334 PolarHBondContact O-N 3.05Å; E334-L336 VanDerWaalsContact C-N 3.28Å; E334-L336 PolarHBondContact O-N 3.45Å; E334-R337 WeakPolarHBondContact O-CB 3.5Å; E334-R337 PolarHBondContact O-N 3.09Å; E334-Y338 PolarHBondContact O-N 2.93Å
335	I	88.7	Confident	87.5	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-35.7	178	-159.2	170.3	0	0	0	112.2	F78 L99 F103 L330 E331 L332 S339 F342	F78-I335 HydrophobicContact CE1-CD1 4.48Å; F78-I335 HydrophobicContact CE2-CD1 4.14Å; F78-I335 HydrophobicContact CZ-CD1 3.59Å; L99-I335 HydrophobicContact CD1-CD1 4.16Å; L99-I335 HydrophobicContact CD1-CG1 4.27Å; F103-I335 HydrophobicContact CD2-CD1 4.26Å; F103-I335 HydrophobicContact CD2-CG2 3.92Å; L330-I335 HydrophobicContact CD1-CB 4.49Å; L330-I335 HydrophobicContact CD2-CB 3.91Å; L330-I335 HydrophobicContact CD2-CD1 3.78Å; L330-I335 HydrophobicContact CD2-CG1 3.87Å; L330-I335 HydrophobicContact CG-CB 4.1Å; E331-I335 PolarHBondContact O-N 3.26Å; L332-I335 HydrophobicContact CD1-CG2 3.99Å; L332-I335 VanDerWaalsContact O-CG2 3.31Å; L332-I335 WeakPolarHBondContact O-CG2 3.39Å; I335-S339 WeakPolarHBondContact O-CA 3.31Å; I335-S339 PolarHBondContact O-N 2.79Å; I335-S339 VanDerWaalsContact O-N 3.09Å; I335-F342 HydrophobicContact CG1-CD1 4.38Å; I335-F342 HydrophobicContact CG1-CD2 3.8Å; I335-F342 HydrophobicContact CG1-CE1 4.46Å; I335-F342 HydrophobicContact CG1-CE2 3.92Å; I335-F342 HydrophobicContact CG1-CG 4.07Å; I335-F342 HydrophobicContact CG1-CZ 4.26Å
336	L	87.5	Confident	86.2	Confident	19 Å²	19	63 Å²	63	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-36.2	174.9	-71.3	179.6	0	0	0	111.6	R96 L99 I100 L332 E334 S339 M348	R96-L336 HydrophobicContact CG-CD2 3.83Å; L99-L336 HydrophobicContact CB-CD2 4.49Å; L99-L336 HydrophobicContact CD2-CD2 3.98Å; L99-L336 HydrophobicContact CG-CD2 4.36Å; I100-L336 HydrophobicContact CG1-CD2 4.33Å; L332-L336 HydrophobicContact CD1-CD1 4.46Å; L332-L336 HydrophobicContact CD1-CG 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.21Å; L332-L336 WeakPolarHBondContact O-CB 3.22Å; L332-L336 WeakPolarHBondContact O-CG 3.44Å; L332-L336 PolarHBondContact O-N 2.91Å; E334-L336 VanDerWaalsContact C-N 3.28Å; E334-L336 PolarHBondContact O-N 3.45Å; L336-S339 VanDerWaalsContact O-CB 3.29Å; L336-S339 WeakPolarHBondContact O-CB 3.29Å; L336-S339 PolarHBondContact O-N 3.5Å; L336-S339 PolarHBondContact O-OG 3.29Å; L336-M348 WeakPolarHBondContact O-CG 3.31Å
337	R	86.9	Confident	84.8	Confident	131 Å²	131	56.4 Å²	56.4	49%	0.494	27%	0.268	S	S	.	.	H	α-helix	trans	-70	-43.8	179.6	-177	163.5	-178.3	-169.7	-17.9	112.9	E324 E333 E334 S339 M348	E324-R337 VanDerWaalsContact CD-CZ 3.45Å; E324-R337 VanDerWaalsContact CD-NH1 3.26Å; E324-R337 WeakPolarHBondContact OE1-CD 3.18Å; E324-R337 IonicContact OE1-CZ 3.01Å; E324-R337 IonicContact OE1-NE 3.99Å; E324-R337 PolarHBondContact OE1-NE 3.22Å; E324-R337 IonicContact OE1-NH1 2.92Å; E324-R337 PolarHBondContact OE1-NH1 3.01Å; E324-R337 IonicContact OE1-NH2 3.93Å; E324-R337 PolarHBondContact OE1-NH2 3.24Å; E324-R337 IonicContact OE2-CZ 3.68Å; E324-R337 IonicContact OE2-NH1 2.72Å; E324-R337 PolarHBondContact OE2-NH1 2.87Å; E324-R337 IonicContact OE2-NH2 3Å; E333-R337 VanDerWaalsContact O-CB 3.31Å; E333-R337 WeakPolarHBondContact O-CB 3.39Å; E333-R337 PolarHBondContact O-N 3.28Å; E334-R337 WeakPolarHBondContact O-CB 3.5Å; E334-R337 PolarHBondContact O-N 3.09Å; R337-S339 PolarHBondContact O-N 2.95Å; R337-M348 HydrophobicContact CB-CE 3.54Å; R337-M348 HydrophobicContact CG-CE 3.81Å; R337-M348 WeakPolarHBondContact O-CG 3.42Å
338	Y	88.4	Confident	82.9	Confident	78 Å²	78	56.7 Å²	56.7	31%	0.306	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	24.1	176.3	-70.1	-91.3	0	0	0	112.3	V321 A322 E324 E334 E340 Y341 F342	V321-Y338 WeakPolarHBondContact O-CE1 3.17Å; A322-Y338 HydrophobicContact CB-CD2 3.82Å; A322-Y338 HydrophobicContact CB-CG 3.79Å; E324-Y338 HydrophobicContact CG-CE2 3.73Å; E324-Y338 WeakPolarHBondContact OE1-CE2 3.31Å; E324-Y338 PolarHBondContact OE1-OH 3.13Å; E334-Y338 PolarHBondContact O-N 2.93Å; Y338-E340 PolarHBondContact O-N 3.19Å; Y338-E340 VanDerWaalsContact O-N 3.09Å; Y338-Y341 WeakPolarHBondContact O-CB 3.33Å; Y338-Y341 PolarHBondContact O-N 3.01Å; Y338-F342 WeakPolarHBondContact O-CD2 3.46Å
339	S	85.3	Confident	80.9	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-52.9	-34.3	-177.7	44.9	0	0	0	0	114.1	I335 L336 R337 Y341 F342 T343 L347	I335-S339 WeakPolarHBondContact O-CA 3.31Å; I335-S339 PolarHBondContact O-N 2.79Å; I335-S339 VanDerWaalsContact O-N 3.09Å; L336-S339 VanDerWaalsContact O-CB 3.29Å; L336-S339 WeakPolarHBondContact O-CB 3.29Å; L336-S339 PolarHBondContact O-N 3.5Å; L336-S339 PolarHBondContact O-OG 3.29Å; R337-S339 PolarHBondContact O-N 2.95Å; S339-Y341 PolarHBondContact O-N 3.11Å; S339-F342 PolarHBondContact O-N 2.85Å; S339-T343 PolarHBondContact O-N 3.39Å; S339-T343 PolarHBondContact O-OG1 3.05Å; S339-L347 VanDerWaalsContact OG-CB 3.31Å; S339-L347 WeakPolarHBondContact OG-CB 3.42Å; S339-L347 PolarHBondContact OG-N 2.96Å
340	E	85.4	Confident	78.6	Confident	101 Å²	101	55.5 Å²	55.5	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-57.3	-36.4	175.5	-177.1	175.8	-162.6	0	0	112.9	Y338 G344 K346	Y338-E340 PolarHBondContact O-N 3.19Å; Y338-E340 VanDerWaalsContact O-N 3.09Å; E340-G344 WeakPolarHBondContact O-CA 3.31Å; E340-G344 PolarHBondContact O-N 3.01Å; E340-K346 HydrophobicContact CB-CG 4.06Å; E340-K346 VanDerWaalsContact CD-CG 3.48Å; E340-K346 HydrophobicContact CG-CG 3.99Å; E340-K346 WeakPolarHBondContact OE1-CE 2.88Å; E340-K346 IonicContact OE1-NZ 3.52Å; E340-K346 WeakPolarHBondContact OE2-CE 3.03Å; E340-K346 WeakPolarHBondContact OE2-CG 3.35Å; E340-K346 IonicContact OE2-NZ 3.52Å
341	Y	86.3	Confident	76.3	Confident	59 Å²	59	58.1 Å²	58.1	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-69.2	-41.1	175.4	-178.7	-101.9	0	0	0	111.1	H74 Q75 M318 V321 Y338 S339	H74-Y341 AromaticContact CD2-CD2 3.91Å; H74-Y341 AromaticContact CD2-CE1 3.78Å; H74-Y341 AromaticContact CD2-CE2 3.63Å; H74-Y341 AromaticContact CD2-CZ 3.56Å; H74-Y341 PolarHBondContact CD2-O 2.97Å; H74-Y341 AromaticContact CG-CZ 3.87Å; H74-Y341 AromaticContact NE2-CD2 3.6Å; H74-Y341 AromaticContact NE2-CE2 3.56Å; H74-Y341 PolarHBondContact NE2-O 3.04Å; Q75-Y341 WeakPolarHBondContact CG-O 3.34Å; M318-Y341 HydrophobicContact CB-CE1 4.31Å; M318-Y341 HydrophobicContact CG-CE1 4.13Å; V321-Y341 HydrophobicContact CB-CD1 4.44Å; V321-Y341 HydrophobicContact CB-CE1 4.21Å; V321-Y341 HydrophobicContact CG1-CD1 4.02Å; V321-Y341 HydrophobicContact CG1-CD2 3.95Å; V321-Y341 HydrophobicContact CG1-CE1 4.21Å; V321-Y341 HydrophobicContact CG1-CE2 4.15Å; V321-Y341 HydrophobicContact CG1-CG 3.89Å; V321-Y341 HydrophobicContact CG2-CE1 4.36Å; V321-Y341 HydrophobicContact CG2-CE2 4.26Å; Y338-Y341 WeakPolarHBondContact O-CB 3.33Å; Y338-Y341 PolarHBondContact O-N 3.01Å; S339-Y341 PolarHBondContact O-N 3.11Å
342	F	85.5	Confident	74.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-81.5	-25	-177.4	-65.7	-84.1	0	0	0	114.4	F78 M119 M318 A322 L330 I335 Y338 S339	F78-F342 HydrophobicContact CD1-CB 3.85Å; F78-F342 AromaticContact CD1-CD1 3.98Å; F78-F342 HydrophobicContact CD1-CD1 3.98Å; F78-F342 HydrophobicContact CD1-CG 4.39Å; F78-F342 HydrophobicContact CD2-CD1 4.09Å; F78-F342 HydrophobicContact CE1-CB 3.79Å; F78-F342 HydrophobicContact CE1-CD1 4.02Å; F78-F342 HydrophobicContact CE1-CG 4.26Å; F78-F342 HydrophobicContact CE2-CD1 4.11Å; F78-F342 HydrophobicContact CG-CD1 4.03Å; F78-F342 HydrophobicContact CZ-CD1 4.09Å; M119-F342 HydrophobicContact CE-CE1 4.43Å; M318-F342 HydrophobicContact CB-CE1 4.27Å; M318-F342 HydrophobicContact CE-CD1 3.8Å; M318-F342 HydrophobicContact CE-CE1 3.53Å; A322-F342 HydrophobicContact CB-CE2 3.86Å; A322-F342 HydrophobicContact CB-CZ 4.11Å; L330-F342 HydrophobicContact CD1-CZ 4.45Å; L330-F342 HydrophobicContact CD2-CE1 4.06Å; L330-F342 HydrophobicContact CD2-CE2 4.35Å; L330-F342 HydrophobicContact CD2-CZ 3.64Å; I335-F342 HydrophobicContact CG1-CD1 4.38Å; I335-F342 HydrophobicContact CG1-CD2 3.8Å; I335-F342 HydrophobicContact CG1-CE1 4.46Å; I335-F342 HydrophobicContact CG1-CE2 3.92Å; I335-F342 HydrophobicContact CG1-CG 4.07Å; I335-F342 HydrophobicContact CG1-CZ 4.26Å; Y338-F342 WeakPolarHBondContact O-CD2 3.46Å; S339-F342 PolarHBondContact O-N 2.85Å
343	T	82.5	Confident	71.9	Confident	10 Å²	10	65.7 Å²	65.7	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-125.9	3.4	-171.1	73.5	0	0	0	0	114.4	L79 F86 L99 S339 S345	L79-T343 HydrophobicContact CD2-CG2 4.4Å; F86-T343 HydrophobicContact CD1-CG2 3.88Å; F86-T343 HydrophobicContact CE1-CG2 3.68Å; F86-T343 HydrophobicContact CZ-CG2 4.37Å; L99-T343 HydrophobicContact CD1-CG2 4.15Å; L99-T343 HydrophobicContact CD2-CG2 4.26Å; S339-T343 PolarHBondContact O-N 3.39Å; S339-T343 PolarHBondContact O-OG1 3.05Å; T343-S345 PolarHBondContact O-N 3.48Å; T343-S345 PolarHBondContact O-OG 2.92Å; T343-S345 PolarHBondContact OG1-O 2.7Å; T343-S345 VanDerWaalsContact OG1-O 3.1Å; T343-S345 PolarHBondContact OG1-OG 3Å
344	G	75.6	Confident	70.1	Confident	44 Å²	44	62.7 Å²	62.7	45%	0.454	31%	0.308	S	S	.	.	S	Bend	trans	63.5	-1.7	-175	0	0	0	0	0	114.7	E340	E340-G344 WeakPolarHBondContact O-CA 3.31Å; E340-G344 PolarHBondContact O-N 3.01Å
345	S	70.4	Confident	68.1	Low	37 Å²	37	70.4 Å²	70.4	26%	0.259	34%	0.343	S	S	.	.	S	Bend	trans	-134.1	130.3	-168.2	48.6	0	0	0	0	110.6	T343 L347	T343-S345 PolarHBondContact O-N 3.48Å; T343-S345 PolarHBondContact O-OG 2.92Å; T343-S345 PolarHBondContact OG1-O 2.7Å; T343-S345 VanDerWaalsContact OG1-O 3.1Å; T343-S345 PolarHBondContact OG1-OG 3Å; S345-L347 PolarHBondContact O-N 3.23Å
346	K	64.3	Low	65.7	Low	137 Å²	137	77.9 Å²	77.9	60%	0.596	38%	0.379	S	S	*	.			trans	-68.3	106.4	179.6	-73	-178.9	-178.8	173.8	0	110.8	E340 M348	E340-K346 HydrophobicContact CB-CG 4.06Å; E340-K346 VanDerWaalsContact CD-CG 3.48Å; E340-K346 HydrophobicContact CG-CG 3.99Å; E340-K346 WeakPolarHBondContact OE1-CE 2.88Å; E340-K346 IonicContact OE1-NZ 3.52Å; E340-K346 WeakPolarHBondContact OE2-CE 3.03Å; E340-K346 WeakPolarHBondContact OE2-CG 3.35Å; E340-K346 IonicContact OE2-NZ 3.52Å; K346-M348 VanDerWaalsContact C-N 3.29Å
347	L	62.9	Low	63.3	Low	16 Å²	16	84.5 Å²	84.5	8%	0.084	41%	0.409	C	S	.	.			trans	-82.5	-13.6	168.6	-51.1	-178.3	0	0	0	112.4	N95 L99 S339 S345 D349	N95-L347 HydrophobicContact CB-CD1 4.25Å; N95-L347 HydrophobicContact CB-CD2 3.32Å; N95-L347 HydrophobicContact CB-CG 4.44Å; L99-L347 HydrophobicContact CB-CD1 4.35Å; L99-L347 HydrophobicContact CD2-CD1 3.72Å; S339-L347 VanDerWaalsContact OG-CB 3.31Å; S339-L347 WeakPolarHBondContact OG-CB 3.42Å; S339-L347 PolarHBondContact OG-N 2.96Å; S345-L347 PolarHBondContact O-N 3.23Å; L347-D349 PolarHBondContact O-N 3.38Å
348	M	50.8	Low	61	Low	62 Å²	62	91.1 Å²	91.1	31%	0.305	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	14.7	-160.5	-115.1	-66.7	-178.7	0	0	116.4	L336 R337 K346 A351	L336-M348 WeakPolarHBondContact O-CG 3.31Å; R337-M348 HydrophobicContact CB-CE 3.54Å; R337-M348 HydrophobicContact CG-CE 3.81Å; R337-M348 WeakPolarHBondContact O-CG 3.42Å; K346-M348 VanDerWaalsContact C-N 3.29Å; M348-A351 HydrophobicContact SD-CB 4.3Å
349	D	48.1	Very low	59.6	Low	105 Å²	105	91.8 Å²	91.8	56%	0.561	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	3.5	172.6	-99.6	-10.3	0	0	0	114.1	L347 N353	L347-D349 PolarHBondContact O-N 3.38Å; D349-N353 PolarHBondContact O-ND2 2.73Å
350	Y	46.3	Very low	58.3	Low	110 Å²	110	96.5 Å²	96.5	43%	0.431	47%	0.472	S	S	.	.	H	α-helix	trans	-89.1	-44.9	176.6	-145	-101	0	0	0	113.1	R93 R352 N353 V354	R93-Y350 PolarHBondContact NH2-OH 3.28Å; Y350-R352 VanDerWaalsContact C-N 3.29Å; Y350-R352 PolarHBondContact O-N 3.16Å; Y350-N353 PolarHBondContact O-N 3.1Å; Y350-N353 VanDerWaalsContact O-N 3.16Å; Y350-V354 HydrophobicContact CD1-CG2 3.61Å; Y350-V354 HydrophobicContact CE1-CG2 3.46Å; Y350-V354 VanDerWaalsContact CE1-CG2 3.46Å; Y350-V354 HydrophobicContact CG-CG2 4.48Å; Y350-V354 VanDerWaalsContact O-CG2 3.31Å; Y350-V354 WeakPolarHBondContact O-CG2 3.31Å; Y350-V354 PolarHBondContact O-N 3.48Å; Y350-V354 VanDerWaalsContact O-N 3.1Å
351	A	44.2	Very low	56.8	Low	56 Å²	56	96.3 Å²	96.3	46%	0.463	47%	0.472	S	S	.	.	H	α-helix	trans	-65.4	-30.5	-173.5	0	0	0	0	0	113.6	M348 H355	M348-A351 HydrophobicContact SD-CB 4.3Å; A351-H355 PolarHBondContact O-CD2 3.5Å
352	R	46.8	Very low	55	Low	174 Å²	174	98.5 Å²	98.5	66%	0.657	49%	0.486	S	S	*	.	H	α-helix	trans	-74.3	-37.8	175.1	-140.1	178.2	-70.2	179	0.2	111.8	Y350 V354 H355	Y350-R352 VanDerWaalsContact C-N 3.29Å; Y350-R352 PolarHBondContact O-N 3.16Å; R352-V354 PolarHBondContact O-N 2.82Å; R352-H355 PolarHBondContact O-N 3.38Å
353	N	43.9	Very low	53.1	Low	95 Å²	95	104.6 Å²	104.6	51%	0.508	52%	0.516	S	S	.	.	H	α-helix	trans	-71.4	-27.8	178.7	-76.8	-24.2	0	0	0	113.9	D349 Y350 H355	D349-N353 PolarHBondContact O-ND2 2.73Å; Y350-N353 PolarHBondContact O-N 3.1Å; Y350-N353 VanDerWaalsContact O-N 3.16Å; N353-H355 VanDerWaalsContact C-N 3.34Å
354	V	51.4	Low	51.2	Low	68 Å²	68	110.9 Å²	110.9	41%	0.412	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.2	177.3	-163.9	0	0	0	0	113.1	Y350 R352	Y350-V354 HydrophobicContact CD1-CG2 3.61Å; Y350-V354 HydrophobicContact CE1-CG2 3.46Å; Y350-V354 VanDerWaalsContact CE1-CG2 3.46Å; Y350-V354 HydrophobicContact CG-CG2 4.48Å; Y350-V354 VanDerWaalsContact O-CG2 3.31Å; Y350-V354 WeakPolarHBondContact O-CG2 3.31Å; Y350-V354 PolarHBondContact O-N 3.48Å; Y350-V354 VanDerWaalsContact O-N 3.1Å; R352-V354 PolarHBondContact O-N 2.82Å
355	H	49.5	Very low	49.4	Very low	173 Å²	173	115.7 Å²	115.7	80%	0.801	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-3.7	177.5	-81.8	-59.9	0	0	0	114.7	A351 R352 N353	A351-H355 PolarHBondContact O-CD2 3.5Å; R352-H355 PolarHBondContact O-N 3.38Å; N353-H355 VanDerWaalsContact C-N 3.34Å
356	E	37.5	Very low	47.8	Very low	160 Å²	160	121.8 Å²	121.8	75%	0.748	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-11.2	172.8	-72.6	-171.5	173.7	0	0	114.1
357	E	37.2	Very low	46.4	Very low	157 Å²	157	120.5 Å²	120.5	73%	0.734	57%	0.574	S	S	*	*			trans	-107.9	67.8	174.1	-72.2	-168.1	161.5	0	0	112.2
358	F	38.7	Very low	44.9	Very low	270 Å²	270	130 Å²	130	100%	1.184	62%	0.619	S	S	*	*			trans	-155.5	0	150.7	-83.3	-63.7	0	0	0	112.3

Retrieved 358 of 358 residues in 563.7 ms (Link to these results)

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