A0A087YBI4_POEFO Loading...

Si:ch211-154o6.3

AlphaFold DB , UniProt , Accession A0A087YBI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 543 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.8	Low	65.3	Low	187 Å²	187	123.5 Å²	123.5	92%	0.921	60%	0.598	S	S	*	*				0	-50	0	-79	-68.4	-102	0	0	113.9	E3 V4 R5	M1-E3 PolarHBondContact O-N 3.36Å; M1-V4 PolarHBondContact O-N 3.22Å; M1-R5 PolarHBondContact O-N 3.31Å
2	G	63.6	Low	65.6	Low	53 Å²	53	126.4 Å²	126.4	55%	0.546	60%	0.598	S	S	.	*	H	α-helix	trans	-65.6	-35.1	-179.3	0	0	0	0	0	115.2	K6	G2-K6 PolarHBondContact O-N 3.34Å; G2-K6 VanDerWaalsContact O-N 3.16Å
3	E	55.5	Low	65.4	Low	158 Å²	158	126.8 Å²	126.8	74%	0.738	60%	0.6	S	S	*	*	H	α-helix	trans	-70.8	-37.1	177.5	-68.2	-167.9	141.5	0	0	113.1	M1 R5 K6 L7	M1-E3 PolarHBondContact O-N 3.36Å; E3-R5 VanDerWaalsContact C-N 3.34Å; E3-R5 PolarHBondContact O-N 3.09Å; E3-K6 PolarHBondContact O-N 3.28Å; E3-L7 WeakPolarHBondContact O-CG 3.4Å; E3-L7 PolarHBondContact O-N 3.13Å
4	V	63.3	Low	65.3	Low	68 Å²	68	124.1 Å²	124.1	41%	0.412	59%	0.589	S	S	.	*	H	α-helix	trans	-62.1	-42.7	176.2	178.5	0	0	0	0	110.8	M1 L7 Q8	M1-V4 PolarHBondContact O-N 3.22Å; V4-L7 PolarHBondContact O-N 3.42Å; V4-Q8 WeakPolarHBondContact O-CG 3.34Å; V4-Q8 PolarHBondContact O-N 3.39Å
5	R	64.5	Low	65.1	Low	184 Å²	184	121.5 Å²	121.5	69%	0.694	58%	0.576	S	S	*	*	H	α-helix	trans	-65.6	-37.5	174.7	-78.3	-175.6	175.5	174.5	-1.1	112.8	M1 E3 K9	M1-R5 PolarHBondContact O-N 3.31Å; E3-R5 VanDerWaalsContact C-N 3.34Å; E3-R5 PolarHBondContact O-N 3.09Å; R5-K9 WeakPolarHBondContact O-CB 3.46Å; R5-K9 PolarHBondContact O-N 3.3Å; R5-K9 VanDerWaalsContact O-N 3.08Å
6	K	67.1	Low	64.3	Low	156 Å²	156	122.3 Å²	122.3	68%	0.678	59%	0.585	S	S	*	*	H	α-helix	trans	-65.5	-39.2	174.3	-80.7	-178.1	177.2	178.2	0	111.7	G2 E3 K9 K10	G2-K6 PolarHBondContact O-N 3.34Å; G2-K6 VanDerWaalsContact O-N 3.16Å; E3-K6 PolarHBondContact O-N 3.28Å; K6-K9 PolarHBondContact O-N 3.27Å; K6-K10 WeakPolarHBondContact O-CG 3.41Å; K6-K10 PolarHBondContact O-N 3.44Å; K6-K10 VanDerWaalsContact O-N 3.07Å
7	L	68.9	Low	63.8	Low	97 Å²	97	122.9 Å²	122.9	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-69.7	-40.9	177.8	-72.3	167.2	0	0	0	112.2	E3 V4 K9 K10 L11	E3-L7 WeakPolarHBondContact O-CG 3.4Å; E3-L7 PolarHBondContact O-N 3.13Å; V4-L7 PolarHBondContact O-N 3.42Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 2.97Å; L7-K10 PolarHBondContact O-N 3.01Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.19Å
8	Q	66.4	Low	63	Low	99 Å²	99	121.6 Å²	121.6	46%	0.463	58%	0.584	S	S	.	*	H	α-helix	trans	-66	-31.5	174.4	-74.2	174.6	-24	0	0	113.4	V4 R12	V4-Q8 WeakPolarHBondContact O-CG 3.34Å; V4-Q8 PolarHBondContact O-N 3.39Å; Q8-R12 PolarHBondContact O-N 2.99Å; Q8-R12 PolarHBondContact O-NE 2.98Å
9	K	72.3	Confident	62.5	Low	146 Å²	146	122.2 Å²	122.2	64%	0.635	59%	0.59	S	S	*	*	H	α-helix	trans	-73.7	-37.8	175.3	-161.2	175.2	-176.5	-179.8	0	111.4	R5 K6 L7 Q13	R5-K9 WeakPolarHBondContact O-CB 3.46Å; R5-K9 PolarHBondContact O-N 3.3Å; R5-K9 VanDerWaalsContact O-N 3.08Å; K6-K9 PolarHBondContact O-N 3.27Å; L7-K9 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 2.97Å; K9-Q13 PolarHBondContact O-N 3.3Å; K9-Q13 VanDerWaalsContact O-N 3.15Å
10	K	71.7	Confident	61.9	Low	134 Å²	134	125 Å²	125	58%	0.583	60%	0.599	S	S	*	*	H	α-helix	trans	-66.9	-37.7	172.6	-75.8	-175.7	174.9	-172.4	0	112.4	K6 L7 Q13 I14	K6-K10 WeakPolarHBondContact O-CG 3.41Å; K6-K10 PolarHBondContact O-N 3.44Å; K6-K10 VanDerWaalsContact O-N 3.07Å; L7-K10 PolarHBondContact O-N 3.01Å; K10-Q13 PolarHBondContact O-N 2.77Å; K10-I14 WeakPolarHBondContact O-CD1 3.11Å; K10-I14 VanDerWaalsContact O-CG1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 3.01Å
11	L	71.1	Confident	61.4	Low	77 Å²	77	126.6 Å²	126.6	40%	0.403	61%	0.609	S	S	.	*	H	α-helix	trans	-63.8	-44.2	177.8	-164.4	72.6	0	0	0	111.6	L7 Q13 I14 E15	L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.19Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 3.12Å; L11-I14 PolarHBondContact O-N 3.06Å; L11-I14 VanDerWaalsContact O-N 3.15Å; L11-E15 PolarHBondContact O-N 3.06Å
12	R	68.9	Low	61.3	Low	158 Å²	158	123.1 Å²	123.1	60%	0.596	60%	0.603	S	S	*	*	H	α-helix	trans	-63.5	-35	173.7	-77.8	-176.6	-88.7	-164.9	-9.2	113.7	Q8 I14 N16	Q8-R12 PolarHBondContact O-N 2.99Å; Q8-R12 PolarHBondContact O-NE 2.98Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-N16 PolarHBondContact O-N 3.35Å; R12-N16 VanDerWaalsContact O-N 3.13Å
13	Q	62.7	Low	61.2	Low	132 Å²	132	124.5 Å²	124.5	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-68.1	-31.9	174.6	-104.9	177.9	-29	0	0	112.5	K9 K10 L11 L17	K9-Q13 PolarHBondContact O-N 3.3Å; K9-Q13 VanDerWaalsContact O-N 3.15Å; K10-Q13 PolarHBondContact O-N 2.77Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 3.12Å; Q13-L17 WeakPolarHBondContact O-CD1 3.4Å; Q13-L17 WeakPolarHBondContact O-CG 3.29Å
14	I	64.2	Low	61.8	Low	88 Å²	88	119.3 Å²	119.3	45%	0.451	58%	0.579	S	S	.	*	H	α-helix	trans	-77	-42.1	177.7	-67.6	164.2	0	0	0	110.6	K10 L11 R12 N16 L17 E18	K10-I14 WeakPolarHBondContact O-CD1 3.11Å; K10-I14 VanDerWaalsContact O-CG1 3.28Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 3.01Å; L11-I14 PolarHBondContact O-N 3.06Å; L11-I14 VanDerWaalsContact O-N 3.15Å; R12-I14 VanDerWaalsContact C-N 3.31Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 3.09Å; I14-L17 PolarHBondContact O-N 3.47Å; I14-E18 PolarHBondContact O-N 3.36Å
15	E	63	Low	61.6	Low	85 Å²	85	121.4 Å²	121.4	40%	0.397	59%	0.594	S	S	.	*	H	α-helix	trans	-64	-35	176.6	-75.5	167.9	173.4	0	0	112.3	L11 L17 E18	L11-E15 PolarHBondContact O-N 3.06Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 3.05Å; E15-E18 PolarHBondContact O-N 3.32Å
16	N	52.7	Low	61.5	Low	134 Å²	134	119.4 Å²	119.4	72%	0.717	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-17.6	173.4	-86.5	1.5	0	0	0	114	R12 I14	R12-N16 PolarHBondContact O-N 3.35Å; R12-N16 VanDerWaalsContact O-N 3.13Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 3.09Å
17	L	55.4	Low	61.2	Low	133 Å²	133	115.8 Å²	115.8	70%	0.696	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-15.5	174.3	-72.6	166.5	0	0	0	112.3	Q13 I14 E15 I19	Q13-L17 WeakPolarHBondContact O-CD1 3.4Å; Q13-L17 WeakPolarHBondContact O-CG 3.29Å; I14-L17 PolarHBondContact O-N 3.47Å; E15-L17 VanDerWaalsContact C-N 3.27Å; E15-L17 PolarHBondContact O-N 3.05Å; L17-I19 PolarHBondContact O-N 3.5Å
18	E	49.6	Very low	60.9	Low	99 Å²	99	117.8 Å²	117.8	46%	0.463	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.8	-3.2	-179.7	-79.8	176.4	165.5	0	0	113.9	I14 E15	I14-E18 PolarHBondContact O-N 3.36Å; E15-E18 PolarHBondContact O-N 3.32Å
19	I	53.8	Low	61	Low	133 Å²	133	120.2 Å²	120.2	68%	0.682	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-24	-172.6	-68	179.4	0	0	0	114.9	L17	L17-I19 PolarHBondContact O-N 3.5Å
20	K	49.4	Very low	60.7	Low	179 Å²	179	120 Å²	120	78%	0.778	59%	0.588	S	S	*	*	S	Bend	trans	-151	130.1	172.2	-69.4	-173.3	-179.9	174.5	0	112.2
21	I	50.8	Low	60.4	Low	158 Å²	158	116.9 Å²	116.9	81%	0.81	58%	0.576	S	S	*	*	S	Bend	trans	107.3	136.3	164.6	-54.3	156	0	0	0	114.7	L23	I21-L23 PolarHBondContact O-N 3.36Å
22	S	53.1	Low	60.3	Low	115 Å²	115	117 Å²	117	80%	0.804	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59.4	126.8	-178.7	42.1	0	0	0	0	112.8
23	L	60.1	Low	60.3	Low	81 Å²	81	115 Å²	115	42%	0.424	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-75.5	140.7	-169.7	-71.4	151.6	0	0	0	114	I21 E27 I31	I21-L23 PolarHBondContact O-N 3.36Å; L23-E27 HydrophobicContact CB-CB 4.48Å; L23-E27 HydrophobicContact CD2-CB 3.88Å; L23-I31 HydrophobicContact CD1-CD1 4.02Å
24	S	69.9	Low	60.8	Low	49 Å²	49	111.6 Å²	111.6	34%	0.343	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-76	161.1	176	71.6	0	0	0	0	112.9	E26 E27 K28	S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 PolarHBondContact O-N 3.16Å; S24-E27 WeakPolarHBondContact CB-OE2 3.36Å; S24-E27 PolarHBondContact N-OE2 3.33Å; S24-E27 PolarHBondContact O-N 3.37Å; S24-E27 VanDerWaalsContact OG-CD 3.24Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-OE2 3.41Å; S24-K28 PolarHBondContact O-N 3.47Å; S24-K28 VanDerWaalsContact O-N 3.16Å
25	P	58.3	Low	60.8	Low	112 Å²	112	110.8 Å²	110.8	73%	0.727	57%	0.566	S	S	*	*	H	α-helix	trans	-60.1	-32.6	-177.1	-23.9	34	0	0	0	114.5	E27 K28 Y29	P25-E27 VanDerWaalsContact C-N 3.3Å; P25-E27 PolarHBondContact O-N 3.02Å; P25-K28 PolarHBondContact O-N 2.68Å; P25-Y29 PolarHBondContact O-N 3.48Å; P25-Y29 VanDerWaalsContact O-N 3.16Å
26	E	61.7	Low	61.3	Low	143 Å²	143	111.4 Å²	111.4	67%	0.668	57%	0.569	S	S	*	*	H	α-helix	trans	-69.5	-28.4	176.6	-68.3	-173.1	172.6	0	0	112.6	S24 K30	S24-E26 VanDerWaalsContact C-N 3.29Å; S24-E26 PolarHBondContact O-N 3.16Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.47Å
27	E	60.5	Low	62.4	Low	80 Å²	80	110 Å²	110	37%	0.374	56%	0.561	S	S	.	*	H	α-helix	trans	-80.1	-35.7	178.6	-67.2	164.8	144.6	0	0	111.1	L23 S24 P25 Y29 K30 I31	L23-E27 HydrophobicContact CB-CB 4.48Å; L23-E27 HydrophobicContact CD2-CB 3.88Å; S24-E27 WeakPolarHBondContact CB-OE2 3.36Å; S24-E27 PolarHBondContact N-OE2 3.33Å; S24-E27 PolarHBondContact O-N 3.37Å; S24-E27 VanDerWaalsContact OG-CD 3.24Å; S24-E27 WeakPolarHBondContact OG-CG 3.37Å; S24-E27 PolarHBondContact OG-OE2 3.41Å; P25-E27 VanDerWaalsContact C-N 3.3Å; P25-E27 PolarHBondContact O-N 3.02Å; E27-Y29 VanDerWaalsContact C-N 3.26Å; E27-Y29 PolarHBondContact O-N 3.07Å; E27-K30 PolarHBondContact O-N 3.3Å; E27-I31 WeakPolarHBondContact O-CG1 3.43Å; E27-I31 PolarHBondContact O-N 3.18Å
28	K	64.2	Low	63.1	Low	138 Å²	138	111.1 Å²	111.1	60%	0.6	56%	0.556	S	S	*	*	H	α-helix	trans	-58.9	-39.2	167.8	-68	-176.3	-178.9	-178.9	0	111.6	S24 P25 I31 S32	S24-K28 PolarHBondContact O-N 3.47Å; S24-K28 VanDerWaalsContact O-N 3.16Å; P25-K28 PolarHBondContact O-N 2.68Å; K28-I31 PolarHBondContact O-N 3.45Å; K28-S32 PolarHBondContact O-N 3.19Å
29	Y	67.9	Low	64.2	Low	151 Å²	151	110.2 Å²	110.2	59%	0.592	56%	0.56	S	S	*	*	H	α-helix	trans	-64.4	-41.6	175.1	-175.2	-103.5	0	0	0	112.3	P25 E27 I31 S32 R33	P25-Y29 PolarHBondContact O-N 3.48Å; P25-Y29 VanDerWaalsContact O-N 3.16Å; E27-Y29 VanDerWaalsContact C-N 3.26Å; E27-Y29 PolarHBondContact O-N 3.07Å; Y29-I31 PolarHBondContact O-N 2.93Å; Y29-S32 PolarHBondContact O-N 3.18Å; Y29-S32 PolarHBondContact O-OG 3.46Å; Y29-R33 PolarHBondContact O-N 3.37Å
30	K	66.8	Low	65.2	Low	142 Å²	142	111.1 Å²	111.1	62%	0.617	56%	0.555	S	S	*	*	H	α-helix	trans	-64.7	-37.3	175.7	-70.9	170.6	-172.5	164.5	0	112.7	E26 E27 R33	E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.47Å; E27-K30 PolarHBondContact O-N 3.3Å; K30-R33 PolarHBondContact O-N 2.88Å
31	I	64.4	Low	66.3	Low	67 Å²	67	106.3 Å²	106.3	34%	0.344	54%	0.537	S	S	.	.	H	α-helix	trans	-68.1	-39.2	175.8	-66.6	166.3	0	0	0	110.9	L23 E27 K28 Y29 R33 K34	L23-I31 HydrophobicContact CD1-CD1 4.02Å; E27-I31 WeakPolarHBondContact O-CG1 3.43Å; E27-I31 PolarHBondContact O-N 3.18Å; K28-I31 PolarHBondContact O-N 3.45Å; Y29-I31 PolarHBondContact O-N 2.93Å; I31-R33 PolarHBondContact O-N 2.98Å; I31-K34 WeakPolarHBondContact O-CB 3.46Å; I31-K34 PolarHBondContact O-N 3Å
32	S	69.8	Low	67.2	Low	80 Å²	80	101.3 Å²	101.3	56%	0.559	52%	0.52	S	S	*	.	H	α-helix	trans	-59.5	-30.7	176.4	78	0	0	0	0	112.7	K28 Y29 K34	K28-S32 PolarHBondContact O-N 3.19Å; Y29-S32 PolarHBondContact O-N 3.18Å; Y29-S32 PolarHBondContact O-OG 3.46Å; S32-K34 VanDerWaalsContact C-N 3.31Å; S32-K34 PolarHBondContact O-N 3.44Å
33	R	68.9	Low	68.3	Low	116 Å²	116	101.4 Å²	101.4	44%	0.438	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.2	178.3	-138.5	173.9	179.7	177.6	-1.4	114.4	Y29 K30 I31 A35 E36 L37	Y29-R33 PolarHBondContact O-N 3.37Å; K30-R33 PolarHBondContact O-N 2.88Å; I31-R33 PolarHBondContact O-N 2.98Å; R33-A35 VanDerWaalsContact C-N 3.31Å; R33-A35 PolarHBondContact O-N 3.35Å; R33-E36 HydrophobicContact CG-CB 4.34Å; R33-E36 WeakPolarHBondContact CG-OE2 3.04Å; R33-E36 IonicContact NE-OE2 2.91Å; R33-E36 PolarHBondContact NE-OE2 3.16Å; R33-E36 VanDerWaalsContact NE-OE2 3.12Å; R33-E36 PolarHBondContact O-N 3Å; R33-L37 WeakPolarHBondContact O-CG 3.2Å; R33-L37 PolarHBondContact O-N 3.39Å
34	K	72.9	Confident	69.1	Low	61 Å²	61	102 Å²	102	27%	0.265	51%	0.511	S	S	.	.	H	α-helix	trans	-61.6	-37.6	179.2	-170.9	175.4	-177.2	172.7	0	111.8	I31 S32 R38	I31-K34 WeakPolarHBondContact O-CB 3.46Å; I31-K34 PolarHBondContact O-N 3Å; S32-K34 VanDerWaalsContact C-N 3.31Å; S32-K34 PolarHBondContact O-N 3.44Å; K34-R38 WeakPolarHBondContact O-CG 3.35Å; K34-R38 PolarHBondContact O-N 3.46Å; K34-R38 VanDerWaalsContact O-N 3.09Å
35	A	64	Low	68.9	Low	71 Å²	71	105.6 Å²	105.6	59%	0.587	52%	0.522	S	S	*	.	H	α-helix	trans	-68.9	-42.5	177.8	0	0	0	0	0	112.1	R33 L37 R38 S39	R33-A35 VanDerWaalsContact C-N 3.31Å; R33-A35 PolarHBondContact O-N 3.35Å; A35-L37 PolarHBondContact O-N 3.49Å; A35-R38 PolarHBondContact O-N 3.33Å; A35-S39 PolarHBondContact O-N 3.3Å
36	E	73.8	Confident	69.4	Low	98 Å²	98	106.3 Å²	106.3	46%	0.458	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.1	-169	-167.1	165.3	0	0	111.2	R33 R38 S39 R40	R33-E36 HydrophobicContact CG-CB 4.34Å; R33-E36 WeakPolarHBondContact CG-OE2 3.04Å; R33-E36 IonicContact NE-OE2 2.91Å; R33-E36 PolarHBondContact NE-OE2 3.16Å; R33-E36 VanDerWaalsContact NE-OE2 3.12Å; R33-E36 PolarHBondContact O-N 3Å; E36-R38 PolarHBondContact O-N 3.19Å; E36-S39 PolarHBondContact O-N 3.26Å; E36-R40 WeakPolarHBondContact O-CB 3.3Å; E36-R40 PolarHBondContact O-N 3.43Å
37	L	75.2	Confident	69.7	Low	105 Å²	105	106.3 Å²	106.3	55%	0.55	52%	0.519	S	S	.	.	H	α-helix	trans	-67.4	-34.3	178.6	-70.1	171.8	0	0	0	112.9	R33 A35 L41	R33-L37 WeakPolarHBondContact O-CG 3.2Å; R33-L37 PolarHBondContact O-N 3.39Å; A35-L37 PolarHBondContact O-N 3.49Å; L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 PolarHBondContact O-N 2.8Å
38	R	70.8	Confident	69.7	Low	156 Å²	156	109.9 Å²	109.9	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-67.9	-42.1	174.4	-79.4	178	174.6	176.4	-4.1	111.9	K34 A35 E36 L41 A42	K34-R38 WeakPolarHBondContact O-CG 3.35Å; K34-R38 PolarHBondContact O-N 3.46Å; K34-R38 VanDerWaalsContact O-N 3.09Å; A35-R38 PolarHBondContact O-N 3.33Å; E36-R38 PolarHBondContact O-N 3.19Å; R38-L41 PolarHBondContact O-N 3.34Å; R38-A42 PolarHBondContact O-N 2.82Å
39	S	72	Confident	69.2	Low	79 Å²	79	107 Å²	107	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-63.2	-45.6	176.5	-179.2	0	0	0	0	111.3	A35 E36 L41 A42 E43	A35-S39 PolarHBondContact O-N 3.3Å; E36-S39 PolarHBondContact O-N 3.26Å; S39-L41 VanDerWaalsContact C-N 3.3Å; S39-L41 PolarHBondContact O-N 2.97Å; S39-A42 PolarHBondContact O-N 3.08Å; S39-E43 PolarHBondContact O-N 3.08Å
40	R	74.7	Confident	68	Low	153 Å²	153	102.2 Å²	102.2	58%	0.577	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-31.4	178	-157.7	172.1	-174.3	174.6	1.2	113.3	E36 L44	E36-R40 WeakPolarHBondContact O-CB 3.3Å; E36-R40 PolarHBondContact O-N 3.43Å; R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.88Å; R40-L44 VanDerWaalsContact O-N 3.13Å
41	L	72.5	Confident	66.8	Low	78 Å²	78	101.8 Å²	101.8	41%	0.408	55%	0.545	S	S	.	.	H	α-helix	trans	-69.9	-41.6	174	-173.4	123.9	0	0	0	111.8	L37 R38 S39 E43 L44 Q45	L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 PolarHBondContact O-N 2.8Å; R38-L41 PolarHBondContact O-N 3.34Å; S39-L41 VanDerWaalsContact C-N 3.3Å; S39-L41 PolarHBondContact O-N 2.97Å; L41-E43 VanDerWaalsContact C-N 3.32Å; L41-L44 PolarHBondContact O-N 3.27Å; L41-Q45 VanDerWaalsContact O-CG 3.29Å; L41-Q45 WeakPolarHBondContact O-CG 3.33Å; L41-Q45 PolarHBondContact O-N 3.06Å
42	A	70.9	Confident	65.6	Low	53 Å²	53	107.5 Å²	107.5	44%	0.438	57%	0.571	S	S	.	*	H	α-helix	trans	-64.1	-38.3	174.8	0	0	0	0	0	111.8	R38 S39 Q45 L46	R38-A42 PolarHBondContact O-N 2.82Å; S39-A42 PolarHBondContact O-N 3.08Å; A42-Q45 PolarHBondContact O-N 3.3Å; A42-L46 PolarHBondContact O-N 3.15Å
43	E	74.8	Confident	64	Low	117 Å²	117	112.5 Å²	112.5	55%	0.547	59%	0.585	S	S	.	*	H	α-helix	trans	-65.2	-42.6	177.4	-140.1	175.6	-163	0	0	112.1	S39 L41 Q45 L46 Q47	S39-E43 PolarHBondContact O-N 3.08Å; L41-E43 VanDerWaalsContact C-N 3.32Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-L46 WeakPolarHBondContact O-CB 3.44Å; E43-L46 PolarHBondContact O-N 3.25Å; E43-Q47 WeakPolarHBondContact O-CG 3.35Å; E43-Q47 PolarHBondContact O-N 3.45Å
44	L	76.3	Confident	62.2	Low	93 Å²	93	113.6 Å²	113.6	49%	0.487	61%	0.605	S	S	.	*	H	α-helix	trans	-67.4	-33.9	174.7	-76	167.7	0	0	0	112.5	R40 L41 Q47 L48	R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.88Å; R40-L44 VanDerWaalsContact O-N 3.13Å; L41-L44 PolarHBondContact O-N 3.27Å; L44-Q47 PolarHBondContact O-N 3.23Å; L44-L48 WeakPolarHBondContact O-CD1 3.5Å; L44-L48 PolarHBondContact O-N 2.74Å; L44-L48 VanDerWaalsContact O-N 3.09Å
45	Q	66.8	Low	60.2	Low	124 Å²	124	119.1 Å²	119.1	58%	0.579	64%	0.636	S	S	*	*	H	α-helix	trans	-67.2	-37.7	174.2	-76	173.4	-30.5	0	0	111.7	L41 A42 E43 L48 S49	L41-Q45 VanDerWaalsContact O-CG 3.29Å; L41-Q45 WeakPolarHBondContact O-CG 3.33Å; L41-Q45 PolarHBondContact O-N 3.06Å; A42-Q45 PolarHBondContact O-N 3.3Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-L48 PolarHBondContact O-N 2.96Å; Q45-S49 PolarHBondContact O-N 3.4Å
46	L	68.1	Low	58.5	Low	128 Å²	128	119.1 Å²	119.1	67%	0.67	64%	0.643	S	S	*	*	H	α-helix	trans	-67.9	-36.4	174.5	-161.8	81.2	0	0	0	112.3	A42 E43 L48 S49	A42-L46 PolarHBondContact O-N 3.15Å; E43-L46 WeakPolarHBondContact O-CB 3.44Å; E43-L46 PolarHBondContact O-N 3.25Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-S49 WeakPolarHBondContact CA-OG 3.28Å; L46-S49 PolarHBondContact O-N 3.44Å; L46-S49 PolarHBondContact O-OG 3.02Å
47	Q	67.9	Low	56.5	Low	142 Å²	142	122.1 Å²	122.1	66%	0.664	66%	0.661	S	S	*	*	H	α-helix	trans	-70.1	-29.6	175.5	-74	178.9	-1	0	0	113.2	E43 L44 S49	E43-Q47 WeakPolarHBondContact O-CG 3.35Å; E43-Q47 PolarHBondContact O-N 3.45Å; L44-Q47 PolarHBondContact O-N 3.23Å; Q47-S49 VanDerWaalsContact C-N 3.32Å
48	L	61	Low	54.3	Low	156 Å²	156	124 Å²	124	82%	0.817	68%	0.676	S	S	*	*	H	α-helix	trans	-75.2	-20.3	173	-98.6	111.8	0	0	0	113.1	L44 Q45 L46 G50	L44-L48 WeakPolarHBondContact O-CD1 3.5Å; L44-L48 PolarHBondContact O-N 2.74Å; L44-L48 VanDerWaalsContact O-N 3.09Å; Q45-L48 PolarHBondContact O-N 2.96Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L48-G50 VanDerWaalsContact C-N 3.33Å; L48-G50 PolarHBondContact O-N 3.09Å
49	S	54.8	Low	52.3	Low	77 Å²	77	119.9 Å²	119.9	54%	0.538	68%	0.682	S	S	.	*	S	Bend	trans	-85.6	73.5	166.6	57.5	0	0	0	0	110.7	Q45 L46 Q47	Q45-S49 PolarHBondContact O-N 3.4Å; L46-S49 WeakPolarHBondContact CA-OG 3.28Å; L46-S49 PolarHBondContact O-N 3.44Å; L46-S49 PolarHBondContact O-OG 3.02Å; Q47-S49 VanDerWaalsContact C-N 3.32Å
50	G	41.8	Very low	50.2	Low	51 Å²	51	124.3 Å²	124.3	53%	0.526	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-66	160.4	167.5	0	0	0	0	0	112.5	L48 Q52	L48-G50 VanDerWaalsContact C-N 3.33Å; L48-G50 PolarHBondContact O-N 3.09Å; G50-Q52 PolarHBondContact O-N 3.12Å
51	P	41.9	Very low	47.9	Very low	132 Å²	132	120.6 Å²	120.6	86%	0.857	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-73.2	117.6	-159.5	28.5	-33.2	0	0	0	112.4
52	Q	38.1	Very low	45.8	Very low	188 Å²	188	124.3 Å²	124.3	88%	0.879	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-79	126.9	158.3	-78.1	-167.6	-19.4	0	0	109.4	G50 T54	G50-Q52 PolarHBondContact O-N 3.12Å; Q52-T54 PolarHBondContact O-N 3Å
53	Q	36.3	Very low	43.9	Very low	185 Å²	185	131.3 Å²	131.3	86%	0.864	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-54.6	118	-179.7	-69	163.2	-21.8	0	0	111.9
54	T	32.7	Very low	41.8	Very low	138 Å²	138	134.7 Å²	134.7	85%	0.847	77%	0.766	S	S	*	*			trans	-107.8	108.8	148.3	27.6	0	0	0	0	107.6	Q52 G56	Q52-T54 PolarHBondContact O-N 3Å; T54-G56 PolarHBondContact O-N 3.26Å
55	L	30	Very low	39.7	Very low	177 Å²	177	140.1 Å²	140.1	93%	0.927	79%	0.786	S	S	*	*			trans	-60.3	123.3	170.5	-85.4	154.7	0	0	0	109.2
56	G	29.1	Very low	37.8	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	80%	0.804	S	S	*	*			trans	-81.9	155.7	177.2	0	0	0	0	0	113.5	T54	T54-G56 PolarHBondContact O-N 3.26Å
57	I	30.4	Very low	35.9	Very low	161 Å²	161	147 Å²	147	83%	0.826	81%	0.813	S	S	*	*			trans	-128.9	111	157.5	-69.5	179.5	0	0	0	106
58	V	30.1	Very low	33.9	Very low	145 Å²	145	151.4 Å²	151.4	88%	0.879	82%	0.824	S	S	*	*			trans	62.7	134.1	150.3	-171.2	0	0	0	0	117
59	G	27.7	Very low	32.2	Very low	69 Å²	69	153.5 Å²	153.5	71%	0.711	83%	0.829	S	S	*	*			cis	-174	174.3	11.3	0	0	0	0	0	111.1
60	D	28.3	Very low	30.9	Very low	173 Å²	173	155.2 Å²	155.2	93%	0.925	84%	0.837	S	S	*	*			trans	-58.2	156.2	-168.2	-89.9	-46	0	0	0	119.2
61	G	27.1	Very low	30.1	Very low	75 Å²	75	162.3 Å²	162.3	77%	0.773	86%	0.856	S	S	*	*			trans	85.3	134.3	150.3	0	0	0	0	0	114.7
62	N	28	Very low	29.3	Very low	156 Å²	156	163 Å²	163	83%	0.834	85%	0.852	S	S	*	*			cis	-162.6	147.8	27.6	-165.5	7	0	0	0	108.2
63	K	31.4	Very low	28.6	Very low	200 Å²	200	158.4 Å²	158.4	87%	0.87	85%	0.846	S	S	*	*			trans	-82.6	121	175.6	-75.7	174.2	175.6	171.8	0	109.2
64	E	30.7	Very low	28.6	Very low	188 Å²	188	155 Å²	155	88%	0.879	84%	0.841	S	S	*	*			trans	-132.4	127.6	154.9	-80.9	-164.6	149.7	0	0	111.9
65	K	31.4	Very low	28.3	Very low	207 Å²	207	156.9 Å²	156.9	90%	0.9	84%	0.84	S	S	*	*			trans	-75.8	137	170.9	-69.2	169.2	172.9	174.3	0	107.9
66	M	27.3	Very low	28.1	Very low	195 Å²	195	155 Å²	155	96%	0.961	84%	0.836	S	S	*	*			trans	-147.3	131.2	148.5	-138.1	157.5	173	0	0	112.7
67	K	28.5	Very low	27.9	Very low	200 Å²	200	159.7 Å²	159.7	87%	0.87	84%	0.843	S	S	*	*			trans	-74.7	148.4	-174.1	-74.9	171.1	169.2	179	0	111.1
68	R	25.2	Very low	27.5	Very low	236 Å²	236	157.1 Å²	157.1	89%	0.891	84%	0.839	S	S	*	*			trans	-58.4	136.2	157.3	-81.8	174.1	161.1	168.9	-6.9	110.8
69	Q	26.1	Very low	27.3	Very low	199 Å²	199	155 Å²	155	93%	0.93	83%	0.831	S	S	*	*			trans	-132.6	133.7	144.3	-87.8	-178	-15.4	0	0	108.3
70	V	26.1	Very low	27.3	Very low	114 Å²	114	161 Å²	161	69%	0.691	84%	0.841	S	S	*	*			trans	-104	136.9	173.8	167.2	0	0	0	0	105.3
71	E	25.9	Very low	27.1	Very low	200 Å²	200	159 Å²	159	94%	0.935	84%	0.835	S	S	*	*			trans	-157.5	143.1	149.5	-115.1	170.2	-158.6	0	0	110.5
72	D	24.5	Very low	27.4	Very low	146 Å²	146	160.8 Å²	160.8	78%	0.781	83%	0.833	S	S	*	*			trans	-93.8	149.1	-161.6	-85.2	-50.6	0	0	0	114.3
73	A	24.8	Very low	27.9	Very low	91 Å²	91	159.2 Å²	159.2	75%	0.752	83%	0.831	S	S	*	*			trans	67.5	167.8	139.8	0	0	0	0	0	121
74	P	36.1	Very low	27.6	Very low	114 Å²	114	154.4 Å²	154.4	74%	0.74	83%	0.829	S	S	*	*				-137	177.6	-54.5	39.5	-23.5	0	0	0	114.8
75	E	25.3	Very low	27.6	Very low	177 Å²	177	151.3 Å²	151.3	83%	0.827	83%	0.828	S	S	*	*			trans	61.7	122.5	152.9	-75.2	-177.3	179.5	0	0	123.6
76	T	25.1	Very low	27.5	Very low	139 Å²	139	150.7 Å²	150.7	85%	0.853	83%	0.825	S	S	*	*				160	142.7	109.1	43.4	0	0	0	0	112.8
77	L	25.3	Very low	27.5	Very low	169 Å²	169	148.3 Å²	148.3	89%	0.885	82%	0.815	S	S	*	*			trans	-80.9	144.6	179.5	-79.5	145.1	0	0	0	112.9
78	S	23.4	Very low	27.5	Very low	106 Å²	106	145.8 Å²	145.8	74%	0.741	81%	0.81	S	S	*	*				163.4	141	112.8	56.9	0	0	0	0	114.3
79	S	24.1	Very low	27.5	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	80%	0.803	S	S	*	*			trans	41.7	125	148.8	64.9	0	0	0	0	120.4
80	Q	27.8	Very low	27.4	Very low	195 Å²	195	137 Å²	137	91%	0.911	80%	0.798	S	S	*	*				-165	123.6	116.1	-66.3	-151.7	-7	0	0	111
81	T	25	Very low	27.5	Very low	132 Å²	132	139.2 Å²	139.2	81%	0.81	80%	0.8	S	S	*	*			trans	-82.6	161.3	151	6	0	0	0	0	108.4
82	P	34	Very low	27.6	Very low	111 Å²	111	133.6 Å²	133.6	72%	0.721	79%	0.788	S	S	*	*				-157.1	-149.7	56.2	44.4	-20.5	0	0	0	112.6
83	P	37.6	Very low	27.7	Very low	124 Å²	124	135.5 Å²	135.5	81%	0.805	79%	0.792	S	S	*	*			cis	-128.2	176.5	-21.8	26.9	-3.9	0	0	0	115.3
84	A	26.2	Very low	27.8	Very low	99 Å²	99	137.2 Å²	137.2	82%	0.818	80%	0.799	S	S	*	*			trans	-84.3	162.1	179.1	0	0	0	0	0	115.3
85	S	29.9	Very low	27.3	Very low	123 Å²	123	141.7 Å²	141.7	86%	0.86	81%	0.807	S	S	*	*			trans	-118.2	122.5	158.6	55.6	0	0	0	0	111.1
86	K	29.1	Very low	27.3	Very low	194 Å²	194	137.8 Å²	137.8	84%	0.843	81%	0.805	S	S	*	*			trans	-87.4	164.7	170.6	-72.3	175.6	173.8	175.9	0	110.8
87	I	28.2	Very low	27.3	Very low	145 Å²	145	136.4 Å²	136.4	74%	0.744	81%	0.807	S	S	*	*			trans	137.8	98	133.8	-73.7	172	0	0	0	111.5
88	L	27.7	Very low	27.3	Very low	146 Å²	146	131.8 Å²	131.8	76%	0.764	80%	0.801	S	S	*	*				97.5	110.8	100.3	-72.4	179.3	0	0	0	111.6
89	K	26.2	Very low	27.5	Very low	173 Å²	173	133.3 Å²	133.3	75%	0.752	81%	0.806	S	S	*	*				65	121.5	76.8	-93.5	-157.9	174.4	-151	0	115.1	E91	K89-E91 IonicContact NZ-OE1 3.12Å; K89-E91 PolarHBondContact NZ-OE1 3.48Å; K89-E91 VanDerWaalsContact NZ-OE1 3.08Å
90	G	24	Very low	27.8	Very low	79 Å²	79	134.4 Å²	134.4	81%	0.814	81%	0.811	S	S	*	*			trans	-159	101.4	158	0	0	0	0	0	110.2
91	E	27	Very low	27.7	Very low	159 Å²	159	129.3 Å²	129.3	74%	0.743	80%	0.802	S	S	*	*			trans	-71.7	162.6	158.3	-66.6	155.3	-166.4	0	0	107.5	K89	K89-E91 IonicContact NZ-OE1 3.12Å; K89-E91 PolarHBondContact NZ-OE1 3.48Å; K89-E91 VanDerWaalsContact NZ-OE1 3.08Å
92	A	28.1	Very low	29	Very low	83 Å²	83	129 Å²	129	69%	0.686	80%	0.802	S	S	*	*			cis	-173.4	159.6	42.1	0	0	0	0	0	112.6
93	E	26.3	Very low	28.7	Very low	185 Å²	185	128.5 Å²	128.5	86%	0.864	81%	0.808	S	S	*	*			trans	62.1	122.7	139.9	-71.4	177.4	178.7	0	0	124
94	S	26.9	Very low	28.1	Very low	127 Å²	127	127.3 Å²	127.3	89%	0.888	81%	0.808	S	S	*	*				172.7	158.6	96	54.2	0	0	0	0	113.8
95	K	25.9	Very low	28.1	Very low	208 Å²	208	134 Å²	134	90%	0.904	81%	0.812	S	S	*	*			trans	-87.4	158.5	-160.9	-65.5	168.4	168	170.9	0	115.5
96	A	25.3	Very low	27.9	Very low	96 Å²	96	137.8 Å²	137.8	79%	0.793	82%	0.816	S	S	*	*				135.3	143.1	111.8	0	0	0	0	0	118
97	A	25.6	Very low	27.6	Very low	109 Å²	109	140.1 Å²	140.1	90%	0.901	82%	0.82	S	S	*	*			trans	75.2	137.1	156.8	0	0	0	0	0	118.4
98	G	25.1	Very low	27.5	Very low	73 Å²	73	138.1 Å²	138.1	75%	0.753	82%	0.824	S	S	*	*			cis	173.2	150	4	0	0	0	0	0	109
99	T	27.4	Very low	27.4	Very low	137 Å²	137	136 Å²	136	84%	0.84	83%	0.829	S	S	*	*			trans	-54.8	162.9	173.6	-17.9	0	0	0	0	112.4
100	P	31.2	Very low	27.3	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	83%	0.833	S	S	*	*				-154.2	165.5	81.6	36.7	-15.1	0	0	0	117.3
101	A	24.7	Very low	27.3	Very low	87 Å²	87	132 Å²	132	72%	0.719	84%	0.836	S	S	*	*			trans	-130.2	-177.2	148.2	0	0	0	0	0	106
102	P	52.8	Low	27.3	Very low	126 Å²	126	130.6 Å²	130.6	82%	0.818	83%	0.834	S	S	*	*			cis	-130	174.7	-35.7	33.3	-15.2	0	0	0	111.9
103	A	26.6	Very low	27.2	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	84%	0.839	S	S	*	*			trans	170.4	160.8	158.1	0	0	0	0	0	109.3
104	A	26.5	Very low	27.1	Very low	98 Å²	98	129.3 Å²	129.3	81%	0.81	83%	0.832	S	S	*	*			cis	-173.8	163.1	-21.6	0	0	0	0	0	106.1
105	R	24.8	Very low	27	Very low	240 Å²	240	132.1 Å²	132.1	91%	0.906	83%	0.831	S	S	*	*			trans	-49.7	156.5	177.3	-66.8	165.7	165.6	171	-4.5	115.4
106	Q	25.8	Very low	27	Very low	203 Å²	203	128.7 Å²	128.7	95%	0.949	83%	0.828	S	S	*	*			trans	-151.1	152.8	137.2	-105.7	178.4	25.4	0	0	112.8
107	R	22.8	Very low	26.9	Very low	243 Å²	243	129 Å²	129	92%	0.917	83%	0.83	S	S	*	*			trans	-113.5	169.7	-169.5	-98.8	-177.9	168.8	-178.6	-3.7	110.7
108	A	26.6	Very low	27	Very low	102 Å²	102	127.4 Å²	127.4	84%	0.843	82%	0.824	S	S	*	*			trans	91.2	143.9	151.2	0	0	0	0	0	117
109	A	26	Very low	26.9	Very low	103 Å²	103	131.6 Å²	131.6	85%	0.851	83%	0.829	S	S	*	*			cis	-171.9	168.2	-2	0	0	0	0	0	111.9
110	G	24.9	Very low	26.9	Very low	83 Å²	83	133.8 Å²	133.8	86%	0.856	83%	0.83	S	S	*	*			trans	101.1	116.3	158.9	0	0	0	0	0	114.4
111	G	23.7	Very low	26.7	Very low	85 Å²	85	133.2 Å²	133.2	88%	0.876	82%	0.82	S	S	*	*			cis	119.1	138.2	48.9	0	0	0	0	0	105.7
112	N	26	Very low	27	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	82%	0.821	S	S	*	*			cis	-167.3	156.7	23.5	-159.9	25.2	0	0	0	109.7
113	E	26.5	Very low	26.1	Very low	171 Å²	171	133 Å²	133	80%	0.799	82%	0.816	S	S	*	*			trans	49.7	139	151.8	-72.4	161.6	-154.8	0	0	121.5
114	G	24.2	Very low	26.5	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	81%	0.807	S	S	*	*			cis	179.3	-177	7.7	0	0	0	0	0	111.1
115	E	25.6	Very low	26.7	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.874	81%	0.811	S	S	*	*			trans	93	87.1	167.2	-59.4	-169.9	148.6	0	0	119.9
116	T	24.7	Very low	27.1	Very low	135 Å²	135	131.1 Å²	131.1	83%	0.828	81%	0.805	S	S	*	*				36.9	102	120.4	56.5	0	0	0	0	119.8
117	A	24.2	Very low	27.4	Very low	103 Å²	103	129.7 Å²	129.7	85%	0.851	80%	0.795	S	S	*	*				-176.9	126.4	128.9	0	0	0	0	0	111.4
118	G	26.4	Very low	28	Very low	75 Å²	75	124.2 Å²	124.2	77%	0.773	79%	0.788	S	S	*	*			trans	69	93.6	148.6	0	0	0	0	0	119.4
119	L	23.8	Very low	28.6	Very low	162 Å²	162	123.3 Å²	123.3	85%	0.848	78%	0.776	S	S	*	*			trans	-145.4	90.8	151.5	-114.5	108	0	0	0	109.6
120	Q	26.7	Very low	29.1	Very low	183 Å²	183	126.2 Å²	126.2	86%	0.855	78%	0.776	S	S	*	*			trans	-105.5	144.8	143.8	-78.9	179.1	-11.7	0	0	106.3
121	D	27.7	Very low	29.6	Very low	113 Å²	113	131.3 Å²	131.3	60%	0.604	78%	0.778	S	S	*	*			trans	78.1	69.3	172.9	-63.3	-33.3	0	0	0	119
122	A	30.3	Very low	30	Very low	91 Å²	91	133.1 Å²	133.1	75%	0.752	78%	0.777	S	S	*	*	S	Bend	trans	-105.8	39.5	145.5	0	0	0	0	0	111.1
123	T	33.4	Very low	30.5	Very low	117 Å²	117	138.4 Å²	138.4	72%	0.718	79%	0.787	S	S	*	*	S	Bend	trans	-127	28.5	171.9	26.7	0	0	0	0	111.7
124	E	35	Very low	30.7	Very low	135 Å²	135	139.2 Å²	139.2	63%	0.631	79%	0.791	S	S	*	*	S	Bend	trans	-127.7	26.3	-176.3	-144.3	-171.7	-171.5	0	0	114.1
125	L	32.7	Very low	31.5	Very low	172 Å²	172	144.3 Å²	144.3	90%	0.901	80%	0.796	S	S	*	*	S	Bend	trans	-127.6	11.7	171	-75.5	168.8	0	0	0	114.1
126	A	32.6	Very low	32.2	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	79%	0.792	S	S	*	*	S	Bend	trans	-125	25.6	166.9	0	0	0	0	0	112.3
127	K	32.5	Very low	33.2	Very low	172 Å²	172	137.8 Å²	137.8	75%	0.748	79%	0.788	S	S	*	*			trans	-135.2	27.7	173.1	-103.5	-174.5	-179.3	-178	0	112.4	S129	K127-S129 VanDerWaalsContact C-N 3.33Å
128	V	34.3	Very low	34.4	Very low	128 Å²	128	134.8 Å²	134.8	78%	0.776	76%	0.761	S	S	*	*			trans	-107.4	35.2	164	-165	0	0	0	0	109.3
129	S	39.8	Very low	36.7	Very low	83 Å²	83	133.5 Å²	133.5	58%	0.58	74%	0.74	S	S	*	*	S	Bend	trans	-119.9	126.7	156.6	55.4	0	0	0	0	105.1	K127	K127-S129 VanDerWaalsContact C-N 3.33Å
130	L	36.4	Very low	39.1	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	73%	0.732	S	S	*	*	S	Bend	trans	78.9	60.4	-174.3	-51	161.7	0	0	0	115.8
131	Q	35.2	Very low	41.5	Very low	189 Å²	189	128 Å²	128	88%	0.883	72%	0.719	S	S	*	*			trans	-176.5	76	147.6	-102.2	160.8	12.1	0	0	110.9
132	S	32	Very low	44	Very low	123 Å²	123	127 Å²	127	86%	0.86	71%	0.711	S	S	*	*	S	Bend	trans	-163	35.8	151	49.2	0	0	0	0	110.1
133	R	36.4	Very low	46.4	Very low	240 Å²	240	126.8 Å²	126.8	91%	0.906	70%	0.697	S	S	*	*			trans	-118	58.5	160.9	-147.2	179.6	169.6	-175.5	-7.8	105.7	E135	R133-E135 PolarHBondContact O-N 3.17Å
134	E	30.6	Very low	48.7	Very low	189 Å²	189	126.1 Å²	126.1	88%	0.883	69%	0.688	S	S	*	*			trans	-67.2	94	157.6	-77.7	-172.3	163	0	0	105.6	S136	E134-S136 PolarHBondContact O-N 3.16Å
135	E	40.3	Very low	51	Low	176 Å²	176	127.3 Å²	127.3	82%	0.822	69%	0.687	S	S	*	*			trans	5.1	101.7	151.5	-63	174.2	167.1	0	0	113.9	R133 G137	R133-E135 PolarHBondContact O-N 3.17Å; E135-G137 PolarHBondContact O-N 3.32Å
136	S	42.1	Very low	53.4	Low	110 Å²	110	123.9 Å²	123.9	77%	0.769	67%	0.666	S	S	*	*			trans	-58.5	99	141	58.7	0	0	0	0	105.6	E134 C138	E134-S136 PolarHBondContact O-N 3.16Å; S136-C138 PolarHBondContact O-N 3.35Å
137	G	45.3	Very low	55.9	Low	74 Å²	74	124.4 Å²	124.4	76%	0.763	65%	0.652	S	S	*	*			trans	-66.1	69.4	176.8	0	0	0	0	0	110.9	E135	E135-G137 PolarHBondContact O-N 3.32Å
138	C	49.8	Very low	58.5	Low	41 Å²	41	121.8 Å²	121.8	28%	0.277	64%	0.643	S	S	.	*			trans	-111.8	109.3	172.2	-162.1	0	0	0	0	105.6	S136 E142 L143	S136-C138 PolarHBondContact O-N 3.35Å; C138-E142 WeakPolarHBondContact CA-OE2 3.43Å; C138-E142 WeakPolarHBondContact SG-CB 3.43Å; C138-L143 HydrophobicContact CB-CD2 4.14Å; C138-L143 HydrophobicContact CB-CG 4.21Å
139	S	73.3	Confident	60.9	Low	48 Å²	48	118.6 Å²	118.6	34%	0.336	63%	0.63	S	S	.	*			trans	-56.7	152.5	174.6	60.3	0	0	0	0	110.3	E141 E142 L143	S139-E141 PolarHBondContact O-N 3.44Å; S139-E141 VanDerWaalsContact O-N 3.07Å; S139-E142 PolarHBondContact N-OE2 2.77Å; S139-E142 WeakPolarHBondContact O-CB 3.35Å; S139-E142 PolarHBondContact O-N 2.8Å; S139-E142 WeakPolarHBondContact OG-CG 3.31Å; S139-E142 PolarHBondContact OG-N 3.27Å; S139-E142 PolarHBondContact OG-OE2 3.41Å; S139-L143 PolarHBondContact O-N 2.88Å; S139-L143 VanDerWaalsContact O-N 3.1Å
140	P	74.7	Confident	63.2	Low	103 Å²	103	120.1 Å²	120.1	67%	0.669	63%	0.628	S	S	*	*	H	α-helix	trans	-52.6	-31.4	175.8	-28.4	35.5	0	0	0	113.6	L144	P140-L144 WeakPolarHBondContact O-CG 3.43Å; P140-L144 PolarHBondContact O-N 2.79Å
141	E	76.7	Confident	65.7	Low	127 Å²	127	113.5 Å²	113.5	59%	0.593	59%	0.592	S	S	*	*	H	α-helix	trans	-68.5	-37.9	174	-66.7	-169.9	-176.5	0	0	113.2	S139 R145	S139-E141 PolarHBondContact O-N 3.44Å; S139-E141 VanDerWaalsContact O-N 3.07Å; E141-R145 WeakPolarHBondContact O-CB 3.5Å; E141-R145 VanDerWaalsContact O-CG 3.27Å; E141-R145 WeakPolarHBondContact O-CG 3.45Å; E141-R145 PolarHBondContact O-N 3.32Å; E141-R145 IonicContact OE2-NH2 3.9Å
142	E	80.4	Confident	68.1	Low	92 Å²	92	108 Å²	108	43%	0.43	58%	0.575	S	S	.	*	H	α-helix	trans	-70.5	-35.6	177.8	-73.4	162.4	157.7	0	0	111.8	C138 S139 R145 Q146	C138-E142 WeakPolarHBondContact CA-OE2 3.43Å; C138-E142 WeakPolarHBondContact SG-CB 3.43Å; S139-E142 PolarHBondContact N-OE2 2.77Å; S139-E142 WeakPolarHBondContact O-CB 3.35Å; S139-E142 PolarHBondContact O-N 2.8Å; S139-E142 WeakPolarHBondContact OG-CG 3.31Å; S139-E142 PolarHBondContact OG-N 3.27Å; S139-E142 PolarHBondContact OG-OE2 3.41Å; E142-R145 PolarHBondContact O-N 2.97Å; E142-Q146 WeakPolarHBondContact O-CB 3.34Å; E142-Q146 PolarHBondContact O-N 2.72Å
143	L	80.1	Confident	70.8	Confident	86 Å²	86	106 Å²	106	45%	0.45	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-45.8	173	-70.6	173.4	0	0	0	111.6	C138 S139 R145 Q146 E147	C138-L143 HydrophobicContact CB-CD2 4.14Å; C138-L143 HydrophobicContact CB-CG 4.21Å; S139-L143 PolarHBondContact O-N 2.88Å; S139-L143 VanDerWaalsContact O-N 3.1Å; L143-R145 PolarHBondContact O-N 3.29Å; L143-Q146 PolarHBondContact O-N 2.91Å; L143-E147 WeakPolarHBondContact O-CG 3.22Å; L143-E147 PolarHBondContact O-N 3.06Å
144	L	81.9	Confident	73.3	Confident	103 Å²	103	97.6 Å²	97.6	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176	-71.8	171.3	0	0	0	111.9	P140 Q146 E147 E148	P140-L144 WeakPolarHBondContact O-CG 3.43Å; P140-L144 PolarHBondContact O-N 2.79Å; L144-Q146 VanDerWaalsContact C-N 3.3Å; L144-Q146 PolarHBondContact O-N 3.16Å; L144-E147 PolarHBondContact O-N 3.13Å; L144-E148 WeakPolarHBondContact O-CB 3.44Å; L144-E148 WeakPolarHBondContact O-CG 3.21Å; L144-E148 PolarHBondContact O-N 3.2Å
145	R	82.8	Confident	76	Confident	159 Å²	159	89.9 Å²	89.9	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-62.3	-38.2	175	-75.2	177.1	-171.7	175.1	9.8	112.1	E141 E142 L143 A149	E141-R145 WeakPolarHBondContact O-CB 3.5Å; E141-R145 VanDerWaalsContact O-CG 3.27Å; E141-R145 WeakPolarHBondContact O-CG 3.45Å; E141-R145 PolarHBondContact O-N 3.32Å; E141-R145 IonicContact OE2-NH2 3.9Å; E142-R145 PolarHBondContact O-N 2.97Å; L143-R145 PolarHBondContact O-N 3.29Å; R145-A149 VanDerWaalsContact O-CB 3.31Å; R145-A149 WeakPolarHBondContact O-CB 3.41Å; R145-A149 PolarHBondContact O-N 3.01Å
146	Q	84.1	Confident	78.2	Confident	100 Å²	100	83.1 Å²	83.1	47%	0.467	47%	0.471	S	S	.	.	H	α-helix	trans	-66.4	-46.6	176.3	-173.5	177.9	-17.6	0	0	111	E142 L143 L144 E148 A149 E150	E142-Q146 WeakPolarHBondContact O-CB 3.34Å; E142-Q146 PolarHBondContact O-N 2.72Å; L143-Q146 PolarHBondContact O-N 2.91Å; L144-Q146 VanDerWaalsContact C-N 3.3Å; L144-Q146 PolarHBondContact O-N 3.16Å; Q146-E148 VanDerWaalsContact C-N 3.32Å; Q146-E148 PolarHBondContact O-N 3.26Å; Q146-A149 PolarHBondContact O-N 3.38Å; Q146-E150 HydrophobicContact CG-CG 4.5Å; Q146-E150 PolarHBondContact NE2-OE1 2.91Å; Q146-E150 WeakPolarHBondContact O-CB 3.36Å; Q146-E150 WeakPolarHBondContact O-CG 3.42Å; Q146-E150 PolarHBondContact O-N 2.88Å
147	E	84.5	Confident	80.4	Confident	104 Å²	104	80.8 Å²	80.8	49%	0.486	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-40.4	175.9	-72.8	-175.3	170.2	0	0	112.3	L143 L144 F151	L143-E147 WeakPolarHBondContact O-CG 3.22Å; L143-E147 PolarHBondContact O-N 3.06Å; L144-E147 PolarHBondContact O-N 3.13Å; E147-F151 VanDerWaalsContact O-CB 3.28Å; E147-F151 WeakPolarHBondContact O-CB 3.36Å; E147-F151 PolarHBondContact O-N 3.23Å
148	E	86.9	Confident	82.5	Confident	117 Å²	117	77.6 Å²	77.6	55%	0.547	42%	0.42	S	S	.	.	H	α-helix	trans	-65.7	-40.7	174.8	-78.5	179.7	170	0	0	112.7	L144 Q146 F151 S152	L144-E148 WeakPolarHBondContact O-CB 3.44Å; L144-E148 WeakPolarHBondContact O-CG 3.21Å; L144-E148 PolarHBondContact O-N 3.2Å; Q146-E148 VanDerWaalsContact C-N 3.32Å; Q146-E148 PolarHBondContact O-N 3.26Å; E148-F151 PolarHBondContact O-N 3.01Å; E148-S152 VanDerWaalsContact O-CB 3.25Å; E148-S152 WeakPolarHBondContact O-CB 3.26Å; E148-S152 PolarHBondContact O-N 2.87Å
149	A	86.6	Confident	84.2	Confident	62 Å²	62	79.1 Å²	79.1	51%	0.512	42%	0.423	S	S	.	.	H	α-helix	trans	-66.1	-43.7	176.4	0	0	0	0	0	111.6	R145 Q146 S152 S153	R145-A149 VanDerWaalsContact O-CB 3.31Å; R145-A149 WeakPolarHBondContact O-CB 3.41Å; R145-A149 PolarHBondContact O-N 3.01Å; Q146-A149 PolarHBondContact O-N 3.38Å; A149-S152 PolarHBondContact O-N 3.49Å; A149-S153 WeakPolarHBondContact O-CB 3.49Å; A149-S153 PolarHBondContact O-N 3.32Å
150	E	87.8	Confident	84.7	Confident	115 Å²	115	84.4 Å²	84.4	54%	0.537	44%	0.44	S	S	.	.	H	α-helix	trans	-61.7	-45.3	175	-74.7	179.2	-168.1	0	0	111.1	Q146 S153 L154	Q146-E150 HydrophobicContact CG-CG 4.5Å; Q146-E150 PolarHBondContact NE2-OE1 2.91Å; Q146-E150 WeakPolarHBondContact O-CB 3.36Å; Q146-E150 WeakPolarHBondContact O-CG 3.42Å; Q146-E150 PolarHBondContact O-N 2.88Å; E150-S153 PolarHBondContact O-N 2.84Å; E150-L154 WeakPolarHBondContact O-CB 3.26Å; E150-L154 PolarHBondContact O-N 3.23Å
151	F	87.9	Confident	85.3	Confident	25 Å²	25	79.9 Å²	79.9	11%	0.11	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-44.7	175.3	175.2	-97.7	0	0	0	112.3	E147 E148 S153 L154 K155 R441 L443	E147-F151 VanDerWaalsContact O-CB 3.28Å; E147-F151 WeakPolarHBondContact O-CB 3.36Å; E147-F151 PolarHBondContact O-N 3.23Å; E148-F151 PolarHBondContact O-N 3.01Å; F151-S153 VanDerWaalsContact C-N 3.32Å; F151-S153 PolarHBondContact O-N 3.36Å; F151-L154 PolarHBondContact O-N 2.91Å; F151-K155 HydrophobicContact CE1-CB 4.48Å; F151-K155 HydrophobicContact CE1-CD 4.12Å; F151-K155 HydrophobicContact CZ-CD 4.31Å; F151-K155 WeakPolarHBondContact O-CB 3.34Å; F151-K155 PolarHBondContact O-N 3.37Å; F151-R441 VanDerWaalsContact CD1-NH1 3.3Å; F151-R441 HydrophobicContact CD2-CB 4.2Å; F151-R441 VanDerWaalsContact CE1-NH2 3.28Å; F151-R441 HydrophobicContact CE2-CB 3.37Å; F151-R441 HydrophobicContact CE2-CG 4.3Å; F151-R441 VanDerWaalsContact CG-NH1 3.29Å; F151-R441 HydrophobicContact CZ-CB 3.6Å; F151-L443 HydrophobicContact CD2-CD2 4.34Å; F151-L443 HydrophobicContact CE2-CD2 3.68Å; F151-L443 HydrophobicContact CZ-CD2 4.26Å
152	S	86.9	Confident	85.8	Confident	74 Å²	74	79 Å²	79	52%	0.517	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-42	178.7	-174.4	0	0	0	0	111.4	E148 A149 K155 A156	E148-S152 VanDerWaalsContact O-CB 3.25Å; E148-S152 WeakPolarHBondContact O-CB 3.26Å; E148-S152 PolarHBondContact O-N 2.87Å; A149-S152 PolarHBondContact O-N 3.49Å; S152-K155 PolarHBondContact O-N 2.87Å; S152-A156 WeakPolarHBondContact O-CB 3.41Å; S152-A156 PolarHBondContact O-N 3.28Å
153	S	88.8	Confident	86.3	Confident	82 Å²	82	74.6 Å²	74.6	57%	0.573	38%	0.382	S	S	*	.	H	α-helix	trans	-62.2	-46.2	173.5	-174.8	0	0	0	0	111.8	A149 E150 F151 A156 S157	A149-S153 WeakPolarHBondContact O-CB 3.49Å; A149-S153 PolarHBondContact O-N 3.32Å; E150-S153 PolarHBondContact O-N 2.84Å; F151-S153 VanDerWaalsContact C-N 3.32Å; F151-S153 PolarHBondContact O-N 3.36Å; S153-A156 PolarHBondContact O-N 3.31Å; S153-S157 PolarHBondContact O-N 2.71Å
154	L	88.5	Confident	86.8	Confident	63 Å²	63	74.5 Å²	74.5	33%	0.33	38%	0.376	S	S	.	.	H	α-helix	trans	-60.9	-48.4	177.3	-176.7	63.1	0	0	0	111	E150 F151 A156 S157 W158 L443	E150-L154 WeakPolarHBondContact O-CB 3.26Å; E150-L154 PolarHBondContact O-N 3.23Å; F151-L154 PolarHBondContact O-N 2.91Å; L154-A156 PolarHBondContact O-N 3.48Å; L154-S157 WeakPolarHBondContact O-CB 3.19Å; L154-S157 PolarHBondContact O-N 2.78Å; L154-S157 VanDerWaalsContact O-N 3.11Å; L154-S157 PolarHBondContact O-OG 3.34Å; L154-W158 VanDerWaalsContact O-CD1 3.24Å; L154-W158 PolarHBondContact O-N 2.78Å; L154-W158 VanDerWaalsContact O-N 3.08Å; L154-L443 HydrophobicContact CD2-CD1 4.5Å; L154-L443 HydrophobicContact CD2-CD2 4.26Å; L154-L443 HydrophobicContact CG-CD2 4.18Å
155	K	87.4	Confident	87.3	Confident	26 Å²	26	71.3 Å²	71.3	11%	0.113	36%	0.359	C	S	.	.	H	α-helix	trans	-57.5	-48.6	176.5	-176.2	172.6	-176.9	167.9	0	111.5	F151 S152 S157 W158 E159 L443 D501	F151-K155 HydrophobicContact CE1-CB 4.48Å; F151-K155 HydrophobicContact CE1-CD 4.12Å; F151-K155 HydrophobicContact CZ-CD 4.31Å; F151-K155 WeakPolarHBondContact O-CB 3.34Å; F151-K155 PolarHBondContact O-N 3.37Å; S152-K155 PolarHBondContact O-N 2.87Å; K155-S157 PolarHBondContact O-N 2.89Å; K155-W158 PolarHBondContact O-N 2.8Å; K155-W158 VanDerWaalsContact O-N 3.1Å; K155-E159 WeakPolarHBondContact O-CG 3.28Å; K155-E159 PolarHBondContact O-N 2.63Å; K155-L443 HydrophobicContact CB-CD2 4.16Å; K155-D501 IonicContact NZ-OD1 3.79Å; K155-D501 PolarHBondContact NZ-OD1 3.49Å; K155-D501 IonicContact NZ-OD2 3.79Å; K155-D501 PolarHBondContact NZ-OD2 3.21Å
156	A	86.4	Confident	87.7	Confident	34 Å²	34	66.6 Å²	66.6	28%	0.281	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-30.7	177.4	0	0	0	0	0	112.9	S152 S153 L154 K160	S152-A156 WeakPolarHBondContact O-CB 3.41Å; S152-A156 PolarHBondContact O-N 3.28Å; S153-A156 PolarHBondContact O-N 3.31Å; L154-A156 PolarHBondContact O-N 3.48Å; A156-K160 WeakPolarHBondContact O-CG 3.4Å; A156-K160 PolarHBondContact O-N 2.82Å
157	S	88.3	Confident	88.1	Confident	62 Å²	62	65.6 Å²	65.6	43%	0.434	34%	0.339	S	S	.	.	H	α-helix	trans	-68.9	-40	174.6	82.2	0	0	0	0	112	S153 L154 K155 K160 A161	S153-S157 PolarHBondContact O-N 2.71Å; L154-S157 WeakPolarHBondContact O-CB 3.19Å; L154-S157 PolarHBondContact O-N 2.78Å; L154-S157 VanDerWaalsContact O-N 3.11Å; L154-S157 PolarHBondContact O-OG 3.34Å; K155-S157 PolarHBondContact O-N 2.89Å; S157-K160 PolarHBondContact O-N 2.94Å; S157-A161 PolarHBondContact O-N 2.88Å; S157-A161 VanDerWaalsContact O-N 3.14Å
158	W	87.9	Confident	88.5	Confident	7 Å²	7	60.9 Å²	60.9	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-74.1	-34.4	178.2	-78.9	104.9	0	0	0	113.1	L154 K155 K160 A161 F163 I417 L434 L443 A444 H467 W469	L154-W158 VanDerWaalsContact O-CD1 3.24Å; L154-W158 PolarHBondContact O-N 2.78Å; L154-W158 VanDerWaalsContact O-N 3.08Å; K155-W158 PolarHBondContact O-N 2.8Å; K155-W158 VanDerWaalsContact O-N 3.1Å; W158-K160 PolarHBondContact O-N 3.03Å; W158-A161 HydrophobicContact CE3-CB 4.07Å; W158-A161 VanDerWaalsContact O-CB 3.28Å; W158-A161 WeakPolarHBondContact O-CB 3.41Å; W158-A161 PolarHBondContact O-N 2.92Å; W158-A161 VanDerWaalsContact O-N 3.09Å; W158-F163 HydrophobicContact CZ3-CE2 4.16Å; W158-F163 AromaticContact CZ3-CZ 3.81Å; W158-F163 HydrophobicContact CZ3-CZ 3.81Å; W158-I417 HydrophobicContact CH2-CD1 3.73Å; W158-I417 HydrophobicContact CZ2-CD1 3.73Å; W158-I417 HydrophobicContact CZ2-CG2 4.21Å; W158-L434 HydrophobicContact CD2-CD1 4.01Å; W158-L434 HydrophobicContact CE3-CD1 3.36Å; W158-L434 HydrophobicContact CH2-CD1 4.34Å; W158-L434 HydrophobicContact CZ3-CD1 3.53Å; W158-L443 HydrophobicContact CG-CD1 4.44Å; W158-A444 HydrophobicContact CB-CB 4.44Å; W158-H467 AromaticContact CH2-CD2 3.47Å; W158-H467 VanDerWaalsContact CH2-CD2 3.47Å; W158-H467 WeakPolarHBondContact CH2-CD2 3.33Å; W158-H467 AromaticContact CH2-CG 3.97Å; W158-H467 AromaticContact CH2-NE2 3.83Å; W158-H467 AromaticContact CZ2-CD2 3.63Å; W158-H467 AromaticContact CZ2-NE2 3.51Å; W158-W469 HydrophobicContact CH2-CH2 4.44Å; W158-W469 HydrophobicContact CH2-CZ3 4.34Å; W158-W469 HydrophobicContact CZ3-CH2 4.17Å
159	E	85.7	Confident	88.6	Confident	73 Å²	73	62.9 Å²	62.9	34%	0.341	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-28.2	172.2	-74.3	-179.2	162.5	0	0	112.5	K155 R496	K155-E159 WeakPolarHBondContact O-CG 3.28Å; K155-E159 PolarHBondContact O-N 2.63Å; E159-R496 IonicContact OE1-CZ 3.98Å; E159-R496 IonicContact OE1-NE 2.83Å; E159-R496 IonicContact OE1-NH1 3.32Å; E159-R496 PolarHBondContact OE1-NH1 3.38Å
160	K	85	Confident	88.7	Confident	158 Å²	158	61.4 Å²	61.4	69%	0.687	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-3.1	177.7	-64.9	173.1	-173.1	170.5	0	113.1	A156 S157 W158	A156-K160 WeakPolarHBondContact O-CG 3.4Å; A156-K160 PolarHBondContact O-N 2.82Å; S157-K160 PolarHBondContact O-N 2.94Å; W158-K160 PolarHBondContact O-N 3.03Å
161	A	86.4	Confident	89	Confident	8 Å²	8	57.5 Å²	57.5	7%	0.066	30%	0.299	C	S	.	.			trans	-63.5	139.9	-178.4	0	0	0	0	0	110.2	S157 W158 F163 V494	S157-A161 PolarHBondContact O-N 2.88Å; S157-A161 VanDerWaalsContact O-N 3.14Å; W158-A161 HydrophobicContact CE3-CB 4.07Å; W158-A161 VanDerWaalsContact O-CB 3.28Å; W158-A161 WeakPolarHBondContact O-CB 3.41Å; W158-A161 PolarHBondContact O-N 2.92Å; W158-A161 VanDerWaalsContact O-N 3.09Å; A161-F163 HydrophobicContact CB-CE2 4.02Å; A161-V494 WeakPolarHBondContact O-CG2 3.45Å
162	R	88.1	Confident	89.3	Confident	108 Å²	108	63.4 Å²	63.4	41%	0.408	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.2	177.3	-65	-177.4	-176.8	166.2	9.4	108.5	Q481 L482 G486 N488	R162-Q481 WeakPolarHBondContact O-CA 3.04Å; R162-L482 HydrophobicContact CB-CB 4.18Å; R162-L482 HydrophobicContact CB-CD1 4.3Å; R162-L482 PolarHBondContact O-N 3.25Å; R162-G486 PolarHBondContact NH1-O 3.16Å; R162-G486 VanDerWaalsContact NH1-O 3.08Å; R162-N488 PolarHBondContact NH1-O 3.22Å
163	F	90.1	Very high	89.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.7	176.3	-70.7	-88.8	0	0	0	109.8	W158 A161 L446 W469 W479 E480 Q481 G490 D491 V492	W158-F163 HydrophobicContact CZ3-CE2 4.16Å; W158-F163 AromaticContact CZ3-CZ 3.81Å; W158-F163 HydrophobicContact CZ3-CZ 3.81Å; A161-F163 HydrophobicContact CB-CE2 4.02Å; F163-L446 HydrophobicContact CD2-CD1 4.26Å; F163-L446 HydrophobicContact CE2-CD1 3.95Å; F163-L446 HydrophobicContact CE2-CD2 4.44Å; F163-W469 HydrophobicContact CD1-CZ2 4.28Å; F163-W469 AromaticContact CE1-CH2 3.74Å; F163-W469 HydrophobicContact CE1-CH2 3.74Å; F163-W469 AromaticContact CE1-CZ2 3.71Å; F163-W469 HydrophobicContact CE1-CZ2 3.71Å; F163-W469 HydrophobicContact CE1-CZ3 4.31Å; F163-W469 HydrophobicContact CE2-CH2 4.22Å; F163-W469 HydrophobicContact CE2-CZ2 4.31Å; F163-W469 AromaticContact CZ-CH2 3.46Å; F163-W469 HydrophobicContact CZ-CH2 3.46Å; F163-W469 VanDerWaalsContact CZ-CH2 3.46Å; F163-W469 AromaticContact CZ-CZ2 3.75Å; F163-W469 HydrophobicContact CZ-CZ2 3.75Å; F163-W469 HydrophobicContact CZ-CZ3 4.23Å; F163-W479 HydrophobicContact CB-CE3 4.02Å; F163-W479 HydrophobicContact CD1-CB 4.27Å; F163-W479 HydrophobicContact CD1-CE3 4.21Å; F163-W479 HydrophobicContact CG-CE3 4.04Å; F163-E480 WeakPolarHBondContact CA-O 3.45Å; F163-Q481 HydrophobicContact CD1-CB 4.07Å; F163-Q481 HydrophobicContact CE1-CB 3.63Å; F163-Q481 HydrophobicContact CE1-CG 4.12Å; F163-Q481 HydrophobicContact CZ-CB 4.15Å; F163-Q481 HydrophobicContact CZ-CG 4.14Å; F163-G490 CarbonylContact O-C 3.56Å; F163-G490 VanDerWaalsContact O-CA 3.25Å; F163-G490 WeakPolarHBondContact O-CA 3.41Å; F163-D491 PolarHBondContact O-N 2.85Å; F163-V492 HydrophobicContact CB-CB 3.98Å; F163-V492 HydrophobicContact CB-CG2 3.63Å
164	R	90.7	Very high	90	Very high	84 Å²	84	62 Å²	62	32%	0.317	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.6	163.8	179.5	-174.7	-71.2	149	-9.3	108.3	E480 L482 D491	R164-E480 PolarHBondContact N-O 3.39Å; R164-E480 IonicContact NH1-OE2 3.69Å; R164-E480 PolarHBondContact O-N 3.44Å; R164-L482 HydrophobicContact CB-CD1 4.29Å; R164-L482 HydrophobicContact CB-CD2 4.01Å; R164-L482 HydrophobicContact CB-CG 4.2Å; R164-D491 WeakPolarHBondContact CA-OD2 3.42Å
165	L	91.9	Very high	90.4	Very high	36 Å²	36	59.1 Å²	59.1	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.9	175.6	-59.5	-177.4	0	0	0	110.2	W448 V477 V478 W479 D491 V492	L165-W448 HydrophobicContact CD1-CB 3.71Å; L165-W448 HydrophobicContact CD1-CG 3.74Å; L165-V477 HydrophobicContact CB-CG1 4.05Å; L165-V477 HydrophobicContact CD2-CG1 4.05Å; L165-V477 HydrophobicContact CG-CG1 4.47Å; L165-V478 WeakPolarHBondContact CA-O 3.25Å; L165-W479 HydrophobicContact CD2-CB 4.37Å; L165-W479 HydrophobicContact CD2-CD2 3.21Å; L165-W479 VanDerWaalsContact CD2-CE2 3.43Å; L165-W479 HydrophobicContact CD2-CE3 3.54Å; L165-W479 HydrophobicContact CD2-CG 3.63Å; L165-W479 HydrophobicContact CD2-CH2 4.15Å; L165-W479 HydrophobicContact CD2-CZ2 3.88Å; L165-W479 HydrophobicContact CD2-CZ3 4.01Å; L165-D491 HydrophobicContact CB-CB 4.2Å; L165-D491 HydrophobicContact CD1-CB 4.21Å; L165-D491 HydrophobicContact CG-CB 3.97Å; L165-D491 PolarHBondContact N-OD2 2.85Å; L165-V492 HydrophobicContact CD1-CG2 3.88Å; L165-V492 HydrophobicContact CD2-CG2 3.69Å; L165-V492 HydrophobicContact CG-CG2 3.75Å
166	R	91.4	Very high	90.8	Very high	61 Å²	61	58.6 Å²	58.6	23%	0.23	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	118.3	171.6	-60.8	-175	-161	-174.4	9	109.6	P200 A202 V477 V478 E480	R166-P200 PolarHBondContact NH1-O 2.94Å; R166-A202 HydrophobicContact CB-CB 4.18Å; R166-V477 WeakPolarHBondContact O-CA 3.43Å; R166-V478 PolarHBondContact N-O 3.41Å; R166-V478 PolarHBondContact O-N 3.42Å; R166-E480 IonicContact CZ-OE2 3.78Å; R166-E480 IonicContact NE-OE2 2.92Å; R166-E480 IonicContact NH2-OE2 3.8Å; R166-E480 PolarHBondContact NH2-OE2 3.42Å
167	L	92.3	Very high	91.2	Very high	79 Å²	79	57.5 Å²	57.5	41%	0.414	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.1	174	-176.3	64.1	0	0	0	109.8	E169 D475 V477	L167-E169 HydrophobicContact CD2-CG 3.59Å; L167-E169 WeakPolarHBondContact CD2-OE1 3.13Å; L167-E169 HydrophobicContact CG-CG 3.76Å; L167-D475 HydrophobicContact CD1-CB 3.77Å; L167-V477 HydrophobicContact CD1-CG2 4.02Å
168	L	93.2	Very high	91.6	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	27%	0.27	C	S	.	.			trans	-102.8	88.5	173.4	-61.1	-177.2	0	0	0	108.8	W197 A202 L476 V478	L168-W197 HydrophobicContact CB-CD2 4.02Å; L168-W197 HydrophobicContact CB-CE3 3.81Å; L168-W197 HydrophobicContact CB-CH2 4.32Å; L168-W197 HydrophobicContact CB-CZ3 3.97Å; L168-W197 HydrophobicContact CD1-CB 3.76Å; L168-W197 HydrophobicContact CD1-CD2 3.95Å; L168-W197 HydrophobicContact CD1-CE3 4.32Å; L168-W197 HydrophobicContact CD1-CG 3.69Å; L168-W197 HydrophobicContact CD2-CE3 4.15Å; L168-W197 HydrophobicContact CG-CD2 4.42Å; L168-W197 HydrophobicContact CG-CE3 4.32Å; L168-A202 HydrophobicContact CD2-CB 3.72Å; L168-L476 HydrophobicContact CB-CB 4.16Å; L168-L476 HydrophobicContact CB-CD2 3.9Å; L168-L476 HydrophobicContact CB-CG 4.05Å; L168-L476 HydrophobicContact CD1-CD2 3.75Å; L168-L476 HydrophobicContact CD1-CG 3.98Å; L168-L476 HydrophobicContact CG-CD2 4.45Å; L168-L476 HydrophobicContact CG-CG 4.47Å; L168-L476 PolarHBondContact N-O 3.13Å; L168-V478 HydrophobicContact CD1-CG2 3.46Å; L168-V478 VanDerWaalsContact CD1-CG2 3.46Å; L168-V478 HydrophobicContact CD2-CG2 4.39Å; L168-V478 HydrophobicContact CG-CG2 3.92Å
169	E	90.1	Very high	91.9	Very high	158 Å²	158	56 Å²	56	74%	0.738	28%	0.275	S	S	*	.			trans	-77.5	129.6	-179.6	-62.9	-175.6	175.7	0	0	111.4	L167 W197	L167-E169 HydrophobicContact CD2-CG 3.59Å; L167-E169 WeakPolarHBondContact CD2-OE1 3.13Å; L167-E169 HydrophobicContact CG-CG 3.76Å; E169-W197 WeakPolarHBondContact O-CH2 3.36Å; E169-W197 WeakPolarHBondContact O-CZ3 3.31Å
170	G	88.8	Confident	92.3	Very high	31 Å²	31	53.9 Å²	53.9	32%	0.32	27%	0.269	S	S	.	.			trans	159.5	-16.6	168.5	0	0	0	0	0	116.7	K195	G170-K195 WeakPolarHBondContact O-CE 3.36Å; G170-K195 PolarHBondContact O-NZ 3.48Å
171	H	94.1	Very high	92.5	Very high	34 Å²	34	47 Å²	47	16%	0.157	24%	0.241	C	C	.	.			trans	-73.3	146.9	167.1	-83.8	-59.7	0	0	0	111.1	V175 S187 S189 D191 T193	H171-V175 HydrophobicContact CB-CG2 4.26Å; H171-S187 PolarHBondContact CD2-OG 2.87Å; H171-S187 PolarHBondContact NE2-OG 2.93Å; H171-S189 VanDerWaalsContact CE1-CB 3.43Å; H171-S189 WeakPolarHBondContact CE1-CB 3.33Å; H171-S189 WeakPolarHBondContact ND1-CB 3.32Å; H171-D191 WeakPolarHBondContact CA-OD2 3.2Å; H171-D191 IonicContact CE1-OD1 3.18Å; H171-D191 IonicContact CE1-OD2 2.69Å; H171-D191 IonicContact CG-OD2 3.94Å; H171-D191 IonicContact ND1-OD1 2.92Å; H171-D191 PolarHBondContact ND1-OD1 2.84Å; H171-D191 IonicContact ND1-OD2 3.76Å; H171-D191 PolarHBondContact ND1-OD2 2.78Å; H171-T193 PolarHBondContact CE1-OG1 3.24Å; H171-T193 PolarHBondContact ND1-OG1 3.26Å
172	N	93.4	Very high	92.5	Very high	149 Å²	149	51.3 Å²	51.3	80%	0.797	26%	0.262	S	S	*	.	S	Bend	trans	-102.7	-1.5	-178.8	-62.4	-66.1	0	0	0	113.4	D191	N172-D191 HydrophobicContact CB-CB 4.26Å; N172-D191 PolarHBondContact N-OD2 3.01Å
173	D	95.3	Very high	92.4	Very high	78 Å²	78	50.2 Å²	50.2	42%	0.417	26%	0.264	S	S	.	.	S	Bend	trans	-154.9	175.7	179.6	-158.5	-8.2	0	0	0	109.5	V175 S189 R190 D191	D173-V175 PolarHBondContact O-N 3.38Å; D173-S189 PolarHBondContact O-OG 2.88Å; D173-R190 HydrophobicContact CB-CB 4.1Å; D173-R190 WeakPolarHBondContact OD2-CB 3.31Å; D173-D191 HydrophobicContact CB-CB 3.95Å
174	I	94.8	Very high	92.5	Very high	49 Å²	49	52.4 Å²	52.4	25%	0.251	28%	0.276	S	S	.	.			trans	-50.3	127.4	-176.1	-63	167	0	0	0	111.6	S189 R190 L455 G473	I174-S189 WeakPolarHBondContact O-CA 3.41Å; I174-S189 PolarHBondContact O-OG 2.82Å; I174-R190 HydrophobicContact CB-CG 4.48Å; I174-R190 PolarHBondContact O-N 3.44Å; I174-L455 HydrophobicContact CG2-CD1 3.56Å; I174-G473 CarbonylContact C-O 3.59Å; I174-G473 WeakPolarHBondContact CA-O 3.36Å
175	V	97.1	Very high	92.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.3	167.9	-173.8	0	0	0	0	108.9	H171 D173 G188 G473 L476	H171-V175 HydrophobicContact CB-CG2 4.26Å; D173-V175 PolarHBondContact O-N 3.38Å; V175-G188 WeakPolarHBondContact CG1-O 3.38Å; V175-G473 PolarHBondContact N-O 3.44Å; V175-L476 HydrophobicContact CG1-CD1 4.27Å; V175-L476 HydrophobicContact CG2-CB 4.32Å
176	T	95.3	Very high	93	Very high	15 Å²	15	46.7 Å²	46.7	9%	0.092	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-23.2	-172.8	58.1	0	0	0	0	113	G188 R190 V215 R366 C456	T176-G188 PolarHBondContact N-O 3.37Å; T176-G188 PolarHBondContact OG1-O 2.6Å; T176-R190 HydrophobicContact CG2-CG 3.6Å; T176-V215 WeakPolarHBondContact CB-O 3.4Å; T176-V215 WeakPolarHBondContact CG2-O 3.22Å; T176-V215 PolarHBondContact OG1-O 2.82Å; T176-R366 PolarHBondContact O-NH1 3.06Å; T176-C456 WeakPolarHBondContact O-CB 3.36Å
177	S	95.1	Very high	93.3	Very high	10 Å²	10	43.8 Å²	43.8	7%	0.07	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.4	-174.2	54.5	0	0	0	0	111.3	G188 C217 L218	S177-G188 PolarHBondContact N-O 3.39Å; S177-G188 PolarHBondContact O-N 2.99Å; S177-C217 WeakPolarHBondContact OG-CA 3.41Å; S177-L218 WeakPolarHBondContact OG-CG 3.49Å
178	V	96.8	Very high	93.5	Very high	17 Å²	17	40 Å²	40	10%	0.103	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	144.4	-179	68	0	0	0	0	109.9	V185 V186 C456 A458 V470 L476	V178-V185 HydrophobicContact CG2-CG1 3.62Å; V178-V186 CarbonylContact C-O 3.55Å; V178-V186 WeakPolarHBondContact CA-O 3.29Å; V178-C456 HydrophobicContact CG1-CB 4.27Å; V178-A458 HydrophobicContact CG1-CB 3.93Å; V178-V470 HydrophobicContact CB-CG1 4.27Å; V178-V470 HydrophobicContact CG1-CG1 3.91Å; V178-V470 HydrophobicContact CG2-CB 4.33Å; V178-V470 HydrophobicContact CG2-CG1 3.35Å; V178-V470 HydrophobicContact CG2-CG2 4.01Å; V178-L476 HydrophobicContact CG2-CD1 4.23Å
179	V	95.5	Very high	93.7	Very high	22 Å²	22	39.8 Å²	39.8	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.4	174.6	67.3	0	0	0	0	110	V186 L218 A220 I242	V179-V186 HydrophobicContact CG1-CB 3.87Å; V179-V186 PolarHBondContact N-O 3.15Å; V179-V186 PolarHBondContact O-N 3.28Å; V179-L218 HydrophobicContact CB-CB 4.49Å; V179-L218 HydrophobicContact CG1-CB 4.18Å; V179-L218 HydrophobicContact CG1-CD1 4.38Å; V179-A220 HydrophobicContact CG2-CB 3.61Å; V179-I242 HydrophobicContact CG1-CD1 3.79Å
180	A	92.9	Very high	94.1	Very high	27 Å²	27	38.8 Å²	38.8	22%	0.223	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132	174.2	0	0	0	0	0	109.9	W460	A180-W460 HydrophobicContact CB-CD2 3.78Å; A180-W460 HydrophobicContact CB-CE3 3.33Å; A180-W460 HydrophobicContact CB-CG 4.38Å; A180-W460 HydrophobicContact CB-CH2 4.39Å; A180-W460 HydrophobicContact CB-CZ3 3.69Å
181	V	90.3	Very high	94.4	Very high	15 Å²	15	38.5 Å²	38.5	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111.3	174.9	-179.5	0	0	0	0	108.6	N183 L184 A220 R240 I242 L256	V181-N183 PolarHBondContact O-N 3.39Å; V181-N183 VanDerWaalsContact O-N 3.15Å; V181-L184 PolarHBondContact N-O 2.96Å; V181-L184 WeakPolarHBondContact O-CA 3.19Å; V181-L184 WeakPolarHBondContact O-CB 3.35Å; V181-L184 PolarHBondContact O-N 3.42Å; V181-A220 HydrophobicContact CG2-CB 3.51Å; V181-R240 HydrophobicContact CG1-CB 4.22Å; V181-R240 HydrophobicContact CG1-CG 4.02Å; V181-I242 HydrophobicContact CG2-CD1 3.56Å; V181-L256 HydrophobicContact CB-CD1 4.45Å; V181-L256 HydrophobicContact CG1-CD1 4.32Å
182	D	85.1	Confident	94.5	Very high	97 Å²	97	39.2 Å²	39.2	52%	0.519	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	-114.8	-176.6	-57.2	-45.2	0	0	0	111.4	R240	D182-R240 IonicContact OD1-NH2 3.29Å; D182-R240 IonicContact OD2-CZ 3.43Å; D182-R240 IonicContact OD2-NE 3.13Å; D182-R240 PolarHBondContact OD2-NE 3.43Å; D182-R240 IonicContact OD2-NH2 3.88Å; D182-R240 PolarHBondContact OD2-NH2 3.06Å
183	N	86.8	Confident	94.7	Very high	85 Å²	85	33 Å²	33	46%	0.455	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	13.7	175.5	-72.8	-43	0	0	0	113.3	V181 V199	V181-N183 PolarHBondContact O-N 3.39Å; V181-N183 VanDerWaalsContact O-N 3.15Å; N183-V199 WeakPolarHBondContact O-CB 3.23Å; N183-V199 PolarHBondContact O-N 2.86Å; N183-V199 VanDerWaalsContact O-N 3.13Å
184	L	92.6	Very high	94.8	Very high	47 Å²	47	29.3 Å²	29.3	25%	0.246	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145	-179.6	-57.1	175.3	0	0	0	110.1	V181 V196 W197 H198 L256	V181-L184 PolarHBondContact N-O 2.96Å; V181-L184 WeakPolarHBondContact O-CA 3.19Å; V181-L184 WeakPolarHBondContact O-CB 3.35Å; V181-L184 PolarHBondContact O-N 3.42Å; L184-V196 HydrophobicContact CB-CG1 4.31Å; L184-V196 HydrophobicContact CD1-CG1 4.09Å; L184-V196 HydrophobicContact CD2-CG1 4.33Å; L184-V196 HydrophobicContact CG-CG1 4.48Å; L184-W197 VanDerWaalsContact CA-O 3.29Å; L184-W197 WeakPolarHBondContact CA-O 3.48Å; L184-H198 HydrophobicContact CD2-CB 4.32Å; L184-L256 HydrophobicContact CD1-CD1 4.47Å
185	V	95.5	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.8	165.1	163.6	0	0	0	0	107.2	V178 W197 V199 W460 V470	V178-V185 HydrophobicContact CG2-CG1 3.62Å; V185-W197 HydrophobicContact CB-CB 4.32Å; V185-W197 PolarHBondContact N-O 2.92Å; V185-W197 PolarHBondContact O-N 3.11Å; V185-V199 HydrophobicContact CB-CG2 4.21Å; V185-V199 HydrophobicContact CG2-CG2 3.48Å; V185-V199 VanDerWaalsContact CG2-CG2 3.48Å; V185-W460 HydrophobicContact CG2-CH2 3.8Å; V185-W460 HydrophobicContact CG2-CZ3 4.25Å; V185-V470 HydrophobicContact CG1-CB 4.48Å; V185-V470 HydrophobicContact CG1-CG1 4.17Å; V185-V470 HydrophobicContact CG1-CG2 4.09Å; V185-V470 HydrophobicContact CG2-CB 4.32Å; V185-V470 HydrophobicContact CG2-CG1 4.14Å
186	V	97.1	Very high	94.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.2	175.2	-173.2	0	0	0	0	108.1	V178 V179 V194 K195 V196 L218 I242 L256	V178-V186 CarbonylContact C-O 3.55Å; V178-V186 WeakPolarHBondContact CA-O 3.29Å; V179-V186 HydrophobicContact CG1-CB 3.87Å; V179-V186 PolarHBondContact N-O 3.15Å; V179-V186 PolarHBondContact O-N 3.28Å; V186-V194 HydrophobicContact CG1-CG1 3.44Å; V186-V194 VanDerWaalsContact CG1-CG1 3.44Å; V186-K195 CarbonylContact C-O 3.5Å; V186-K195 VanDerWaalsContact CA-O 3.31Å; V186-K195 WeakPolarHBondContact CA-O 3.27Å; V186-V196 HydrophobicContact CG1-CG2 4.36Å; V186-V196 HydrophobicContact CG2-CG1 4.27Å; V186-V196 HydrophobicContact CG2-CG2 4.2Å; V186-L218 HydrophobicContact CG1-CD1 4.23Å; V186-L218 WeakPolarHBondContact O-CD1 3.46Å; V186-I242 HydrophobicContact CB-CG1 4.39Å; V186-I242 HydrophobicContact CG1-CG1 4.26Å; V186-I242 HydrophobicContact CG1-CG2 4.09Å; V186-I242 HydrophobicContact CG2-CD1 4.33Å; V186-I242 HydrophobicContact CG2-CG1 4.05Å; V186-L256 HydrophobicContact CG2-CD1 4.39Å; V186-L256 HydrophobicContact CG2-CD2 4Å
187	S	97.5	Very high	94.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.3	-175.7	58.3	0	0	0	0	111.1	H171 V194 K195 W197	H171-S187 PolarHBondContact CD2-OG 2.87Å; H171-S187 PolarHBondContact NE2-OG 2.93Å; S187-V194 CarbonylContact O-C 3.51Å; S187-V194 VanDerWaalsContact O-CA 3.23Å; S187-V194 WeakPolarHBondContact O-CA 3.42Å; S187-K195 PolarHBondContact N-O 2.93Å; S187-K195 PolarHBondContact O-N 3.44Å; S187-W197 PolarHBondContact OG-NE1 2.72Å
188	G	97.3	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.4	174.9	0	0	0	0	0	109.5	V175 T176 S177 L218	V175-G188 WeakPolarHBondContact CG1-O 3.38Å; T176-G188 PolarHBondContact N-O 3.37Å; T176-G188 PolarHBondContact OG1-O 2.6Å; S177-G188 PolarHBondContact N-O 3.39Å; S177-G188 PolarHBondContact O-N 2.99Å; G188-L218 VanDerWaalsContact N-CD1 3.3Å
189	S	97.6	Very high	94.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	160.5	-176.4	170.2	0	0	0	0	112.6	H171 D173 I174 D191 T192 T193 V215	H171-S189 VanDerWaalsContact CE1-CB 3.43Å; H171-S189 WeakPolarHBondContact CE1-CB 3.33Å; H171-S189 WeakPolarHBondContact ND1-CB 3.32Å; D173-S189 PolarHBondContact O-OG 2.88Å; I174-S189 WeakPolarHBondContact O-CA 3.41Å; I174-S189 PolarHBondContact O-OG 2.82Å; S189-D191 VanDerWaalsContact CB-OD1 3.31Å; S189-D191 WeakPolarHBondContact CB-OD1 3.48Å; S189-D191 PolarHBondContact O-N 3.03Å; S189-D191 VanDerWaalsContact OG-CG 3.27Å; S189-D191 PolarHBondContact OG-N 3.45Å; S189-D191 VanDerWaalsContact OG-N 3.07Å; S189-D191 PolarHBondContact OG-OD1 3.22Å; S189-T192 PolarHBondContact O-N 2.87Å; S189-T193 PolarHBondContact N-O 3Å; S189-V215 PolarHBondContact O-N 3.43Å
190	R	96.7	Very high	93.9	Very high	136 Å²	136	30 Å²	30	51%	0.513	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.5	167.1	-69.1	-168.7	177.5	-179.5	-0.8	113	D173 I174 T176 T192	D173-R190 HydrophobicContact CB-CB 4.1Å; D173-R190 WeakPolarHBondContact OD2-CB 3.31Å; I174-R190 HydrophobicContact CB-CG 4.48Å; I174-R190 PolarHBondContact O-N 3.44Å; T176-R190 HydrophobicContact CG2-CG 3.6Å; R190-T192 PolarHBondContact O-N 2.85Å
191	D	96.1	Very high	93.6	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.134	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	6.9	173.4	74.5	11.6	0	0	0	114.5	H171 N172 D173 S189 T193	H171-D191 WeakPolarHBondContact CA-OD2 3.2Å; H171-D191 IonicContact CE1-OD1 3.18Å; H171-D191 IonicContact CE1-OD2 2.69Å; H171-D191 IonicContact CG-OD2 3.94Å; H171-D191 IonicContact ND1-OD1 2.92Å; H171-D191 PolarHBondContact ND1-OD1 2.84Å; H171-D191 IonicContact ND1-OD2 3.76Å; H171-D191 PolarHBondContact ND1-OD2 2.78Å; N172-D191 HydrophobicContact CB-CB 4.26Å; N172-D191 PolarHBondContact N-OD2 3.01Å; D173-D191 HydrophobicContact CB-CB 3.95Å; S189-D191 VanDerWaalsContact CB-OD1 3.31Å; S189-D191 WeakPolarHBondContact CB-OD1 3.48Å; S189-D191 PolarHBondContact O-N 3.03Å; S189-D191 VanDerWaalsContact OG-CG 3.27Å; S189-D191 PolarHBondContact OG-N 3.45Å; S189-D191 VanDerWaalsContact OG-N 3.07Å; S189-D191 PolarHBondContact OG-OD1 3.22Å; D191-T193 VanDerWaalsContact CG-OG1 3.3Å; D191-T193 PolarHBondContact O-N 3.07Å; D191-T193 WeakPolarHBondContact OD1-CA 3.43Å; D191-T193 WeakPolarHBondContact OD1-CB 3.23Å; D191-T193 PolarHBondContact OD1-N 3.1Å; D191-T193 PolarHBondContact OD1-OG1 2.97Å; D191-T193 PolarHBondContact OD2-OG1 2.93Å
192	T	96.6	Very high	93.5	Very high	49 Å²	49	33 Å²	33	30%	0.301	18%	0.176	S	C	.	.	S	Bend	trans	72.2	3.4	179.5	76.9	0	0	0	0	115	S189 R190 H211	S189-T192 PolarHBondContact O-N 2.87Å; R190-T192 PolarHBondContact O-N 2.85Å; T192-H211 WeakPolarHBondContact O-CB 3.21Å
193	T	96.4	Very high	93.7	Very high	20 Å²	20	31.3 Å²	31.3	12%	0.123	17%	0.17	C	C	.	.			trans	-104.5	149.6	-178.3	73.2	0	0	0	0	112.3	H171 S189 D191 N207	H171-T193 PolarHBondContact CE1-OG1 3.24Å; H171-T193 PolarHBondContact ND1-OG1 3.26Å; S189-T193 PolarHBondContact N-O 3Å; D191-T193 VanDerWaalsContact CG-OG1 3.3Å; D191-T193 PolarHBondContact O-N 3.07Å; D191-T193 WeakPolarHBondContact OD1-CA 3.43Å; D191-T193 WeakPolarHBondContact OD1-CB 3.23Å; D191-T193 PolarHBondContact OD1-N 3.1Å; D191-T193 PolarHBondContact OD1-OG1 2.97Å; D191-T193 PolarHBondContact OD2-OG1 2.93Å; T193-N207 WeakPolarHBondContact CB-OD1 3.42Å
194	V	97.4	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.7	162.6	178.5	0	0	0	0	107.3	V186 S187 L208 V215 L218	V186-V194 HydrophobicContact CG1-CG1 3.44Å; V186-V194 VanDerWaalsContact CG1-CG1 3.44Å; S187-V194 CarbonylContact O-C 3.51Å; S187-V194 VanDerWaalsContact O-CA 3.23Å; S187-V194 WeakPolarHBondContact O-CA 3.42Å; V194-L208 HydrophobicContact CB-CB 4.04Å; V194-L208 HydrophobicContact CG1-CB 4.49Å; V194-L208 HydrophobicContact CG1-CD1 4.07Å; V194-L208 PolarHBondContact N-O 3.33Å; V194-L208 WeakPolarHBondContact O-CA 3.27Å; V194-L208 VanDerWaalsContact O-CB 3.23Å; V194-L208 WeakPolarHBondContact O-CB 3.32Å; V194-L208 PolarHBondContact O-N 3.04Å; V194-V215 HydrophobicContact CG2-CG1 4.1Å; V194-V215 HydrophobicContact CG2-CG2 3.82Å; V194-L218 HydrophobicContact CG1-CD2 4.14Å; V194-L218 HydrophobicContact CG2-CD2 4.21Å
195	K	96.6	Very high	94.1	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.2	-180	-72.8	177.2	177.9	-88.5	0	111	G170 V186 S187 W197 E204 K206 N207	G170-K195 WeakPolarHBondContact O-CE 3.36Å; G170-K195 PolarHBondContact O-NZ 3.48Å; V186-K195 CarbonylContact C-O 3.5Å; V186-K195 VanDerWaalsContact CA-O 3.31Å; V186-K195 WeakPolarHBondContact CA-O 3.27Å; S187-K195 PolarHBondContact N-O 2.93Å; S187-K195 PolarHBondContact O-N 3.44Å; K195-W197 HydrophobicContact CB-CZ2 3.77Å; K195-W197 HydrophobicContact CD-CH2 4.07Å; K195-W197 HydrophobicContact CD-CZ2 3.56Å; K195-W197 HydrophobicContact CG-CZ2 4.32Å; K195-E204 IonicContact NZ-OE1 3.33Å; K195-E204 PolarHBondContact NZ-OE1 3.24Å; K195-E204 IonicContact NZ-OE2 2.65Å; K195-E204 PolarHBondContact NZ-OE2 2.87Å; K195-K206 WeakPolarHBondContact CA-O 3.42Å; K195-N207 PolarHBondContact NZ-ND2 3.07Å
196	V	96.7	Very high	94	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.6	177.2	-175.3	0	0	0	0	108.4	L184 V186 Q205 K206 L208 L256	L184-V196 HydrophobicContact CB-CG1 4.31Å; L184-V196 HydrophobicContact CD1-CG1 4.09Å; L184-V196 HydrophobicContact CD2-CG1 4.33Å; L184-V196 HydrophobicContact CG-CG1 4.48Å; V186-V196 HydrophobicContact CG1-CG2 4.36Å; V186-V196 HydrophobicContact CG2-CG1 4.27Å; V186-V196 HydrophobicContact CG2-CG2 4.2Å; V196-Q205 PolarHBondContact O-N 2.98Å; V196-K206 HydrophobicContact CB-CB 4.05Å; V196-K206 HydrophobicContact CG2-CB 4.1Å; V196-K206 PolarHBondContact N-O 3.34Å; V196-K206 PolarHBondContact O-N 3.36Å; V196-L208 HydrophobicContact CG2-CD1 3.71Å; V196-L208 HydrophobicContact CG2-CG 4.09Å; V196-L256 HydrophobicContact CG1-CD2 4.43Å; V196-L256 HydrophobicContact CG2-CD2 3.66Å
197	W	95.9	Very high	93.9	Very high	2 Å²	2	41 Å²	41	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.8	-174.4	-49.9	88.9	0	0	0	109.9	L168 E169 L184 V185 S187 K195 E204 L476	L168-W197 HydrophobicContact CB-CD2 4.02Å; L168-W197 HydrophobicContact CB-CE3 3.81Å; L168-W197 HydrophobicContact CB-CH2 4.32Å; L168-W197 HydrophobicContact CB-CZ3 3.97Å; L168-W197 HydrophobicContact CD1-CB 3.76Å; L168-W197 HydrophobicContact CD1-CD2 3.95Å; L168-W197 HydrophobicContact CD1-CE3 4.32Å; L168-W197 HydrophobicContact CD1-CG 3.69Å; L168-W197 HydrophobicContact CD2-CE3 4.15Å; L168-W197 HydrophobicContact CG-CD2 4.42Å; L168-W197 HydrophobicContact CG-CE3 4.32Å; E169-W197 WeakPolarHBondContact O-CH2 3.36Å; E169-W197 WeakPolarHBondContact O-CZ3 3.31Å; L184-W197 VanDerWaalsContact CA-O 3.29Å; L184-W197 WeakPolarHBondContact CA-O 3.48Å; V185-W197 HydrophobicContact CB-CB 4.32Å; V185-W197 PolarHBondContact N-O 2.92Å; V185-W197 PolarHBondContact O-N 3.11Å; S187-W197 PolarHBondContact OG-NE1 2.72Å; K195-W197 HydrophobicContact CB-CZ2 3.77Å; K195-W197 HydrophobicContact CD-CH2 4.07Å; K195-W197 HydrophobicContact CD-CZ2 3.56Å; K195-W197 HydrophobicContact CG-CZ2 4.32Å; W197-E204 HydrophobicContact CE3-CB 3.87Å; W197-E204 HydrophobicContact CH2-CB 4.33Å; W197-E204 HydrophobicContact CZ3-CB 3.68Å; W197-E204 HydrophobicContact CZ3-CG 4.37Å; W197-L476 HydrophobicContact CD2-CD2 4.4Å; W197-L476 HydrophobicContact CG-CD2 4.47Å; W197-L476 HydrophobicContact CZ2-CD2 4.16Å
198	H	92.6	Very high	93.7	Very high	52 Å²	52	41 Å²	41	24%	0.241	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	114.3	171.1	-178	-110.8	0	0	0	109.7	L184 P200 T201 A202 T203 Q205	L184-H198 HydrophobicContact CD2-CB 4.32Å; H198-P200 VanDerWaalsContact CE1-CD 3.49Å; H198-P200 WeakPolarHBondContact CE1-CD 3.21Å; H198-T201 PolarHBondContact ND1-N 3.31Å; H198-T201 PolarHBondContact ND1-OG1 3.01Å; H198-T201 PolarHBondContact O-N 3.43Å; H198-A202 WeakPolarHBondContact O-CA 3.48Å; H198-A202 PolarHBondContact O-N 3.45Å; H198-T203 PolarHBondContact N-O 2.55Å; H198-Q205 HydrophobicContact CB-CG 3.63Å
199	V	88.1	Confident	93.3	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.03	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-48.1	-173.4	167.9	0	0	0	0	112.9	N183 V185 T201 A202 W460 V478	N183-V199 WeakPolarHBondContact O-CB 3.23Å; N183-V199 PolarHBondContact O-N 2.86Å; N183-V199 VanDerWaalsContact O-N 3.13Å; V185-V199 HydrophobicContact CB-CG2 4.21Å; V185-V199 HydrophobicContact CG2-CG2 3.48Å; V185-V199 VanDerWaalsContact CG2-CG2 3.48Å; V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 PolarHBondContact O-N 3.37Å; V199-A202 PolarHBondContact O-N 2.97Å; V199-W460 HydrophobicContact CG1-CZ2 4.35Å; V199-W460 HydrophobicContact CG2-CH2 4.18Å; V199-W460 HydrophobicContact CG2-CZ2 4.08Å; V199-V478 HydrophobicContact CG1-CG1 3.95Å
200	P	86.1	Confident	92.8	Very high	56 Å²	56	45.3 Å²	45.3	36%	0.364	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.7	-177.9	-25	33.3	0	0	0	115.1	R166 H198	R166-P200 PolarHBondContact NH1-O 2.94Å; H198-P200 VanDerWaalsContact CE1-CD 3.49Å; H198-P200 WeakPolarHBondContact CE1-CD 3.21Å
201	T	86.4	Confident	92.8	Very high	74 Å²	74	39.2 Å²	39.2	45%	0.454	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-10.9	179.9	55.8	0	0	0	0	113.2	H198 V199 T203	H198-T201 PolarHBondContact ND1-N 3.31Å; H198-T201 PolarHBondContact ND1-OG1 3.01Å; H198-T201 PolarHBondContact O-N 3.43Å; V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 PolarHBondContact O-N 3.37Å; T201-T203 WeakPolarHBondContact O-CG2 3.37Å; T201-T203 PolarHBondContact O-N 3.49Å; T201-T203 PolarHBondContact OG1-OG1 3.04Å
202	A	88.1	Confident	92.9	Very high	30 Å²	30	43.9 Å²	43.9	25%	0.248	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	35.4	-172.6	0	0	0	0	0	113.1	R166 L168 H198 V199	R166-A202 HydrophobicContact CB-CB 4.18Å; L168-A202 HydrophobicContact CD2-CB 3.72Å; H198-A202 WeakPolarHBondContact O-CA 3.48Å; H198-A202 PolarHBondContact O-N 3.45Å; V199-A202 PolarHBondContact O-N 2.97Å
203	T	90.3	Very high	92.8	Very high	62 Å²	62	42.3 Å²	42.3	38%	0.38	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.7	-178.6	58.2	0	0	0	0	111.5	H198 T201 Q205	H198-T203 PolarHBondContact N-O 2.55Å; T201-T203 WeakPolarHBondContact O-CG2 3.37Å; T201-T203 PolarHBondContact O-N 3.49Å; T201-T203 PolarHBondContact OG1-OG1 3.04Å; T203-Q205 PolarHBondContact O-N 3.04Å; T203-Q205 PolarHBondContact OG1-NE2 3.36Å
204	E	94.1	Very high	92.9	Very high	73 Å²	73	42.2 Å²	42.2	34%	0.341	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	124.8	166	-172.5	176.9	155.7	0	0	109.5	K195 W197 N207	K195-E204 IonicContact NZ-OE1 3.33Å; K195-E204 PolarHBondContact NZ-OE1 3.24Å; K195-E204 IonicContact NZ-OE2 2.65Å; K195-E204 PolarHBondContact NZ-OE2 2.87Å; W197-E204 HydrophobicContact CE3-CB 3.87Å; W197-E204 HydrophobicContact CH2-CB 4.33Å; W197-E204 HydrophobicContact CZ3-CB 3.68Å; W197-E204 HydrophobicContact CZ3-CG 4.37Å; E204-N207 WeakPolarHBondContact OE1-CB 3.09Å
205	Q	92.9	Very high	92.9	Very high	98 Å²	98	42.2 Å²	42.2	46%	0.458	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-42.1	176.2	-69.6	-67.2	-25.7	0	0	111.4	V196 H198 T203	V196-Q205 PolarHBondContact O-N 2.98Å; H198-Q205 HydrophobicContact CB-CG 3.63Å; T203-Q205 PolarHBondContact O-N 3.04Å; T203-Q205 PolarHBondContact OG1-NE2 3.36Å
206	K	93.8	Very high	92.9	Very high	83 Å²	83	43.2 Å²	43.2	36%	0.361	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.8	-175.8	-59.2	-70.1	178.2	170.2	0	110.9	K195 V196 L208	K195-K206 WeakPolarHBondContact CA-O 3.42Å; V196-K206 HydrophobicContact CB-CB 4.05Å; V196-K206 HydrophobicContact CG2-CB 4.1Å; V196-K206 PolarHBondContact N-O 3.34Å; V196-K206 PolarHBondContact O-N 3.36Å; K206-L208 HydrophobicContact CB-CD2 4.07Å
207	N	94.4	Very high	92.9	Very high	81 Å²	81	43.5 Å²	43.5	43%	0.433	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	108.2	164.1	-169.3	-20.1	0	0	0	108.5	T193 K195 E204 G209	T193-N207 WeakPolarHBondContact CB-OD1 3.42Å; K195-N207 PolarHBondContact NZ-ND2 3.07Å; E204-N207 WeakPolarHBondContact OE1-CB 3.09Å; N207-G209 VanDerWaalsContact C-N 3.32Å; N207-G209 PolarHBondContact O-N 2.83Å
208	L	93.3	Very high	93	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	72.1	179.2	-51.3	179.1	0	0	0	108.6	V194 V196 K206 W254 L256 G259	V194-L208 HydrophobicContact CB-CB 4.04Å; V194-L208 HydrophobicContact CG1-CB 4.49Å; V194-L208 HydrophobicContact CG1-CD1 4.07Å; V194-L208 PolarHBondContact N-O 3.33Å; V194-L208 WeakPolarHBondContact O-CA 3.27Å; V194-L208 VanDerWaalsContact O-CB 3.23Å; V194-L208 WeakPolarHBondContact O-CB 3.32Å; V194-L208 PolarHBondContact O-N 3.04Å; V196-L208 HydrophobicContact CG2-CD1 3.71Å; V196-L208 HydrophobicContact CG2-CG 4.09Å; K206-L208 HydrophobicContact CB-CD2 4.07Å; L208-W254 HydrophobicContact CB-CD2 3.96Å; L208-W254 HydrophobicContact CB-CE3 3.64Å; L208-W254 HydrophobicContact CB-CH2 4.24Å; L208-W254 HydrophobicContact CB-CZ3 3.78Å; L208-W254 HydrophobicContact CD1-CB 3.83Å; L208-W254 HydrophobicContact CD1-CD2 4.15Å; L208-W254 HydrophobicContact CD1-CE3 4.32Å; L208-W254 HydrophobicContact CD1-CG 3.94Å; L208-W254 HydrophobicContact CD2-CE3 4.3Å; L208-W254 HydrophobicContact CG-CE3 4.3Å; L208-W254 WeakPolarHBondContact O-CH2 3.33Å; L208-L256 HydrophobicContact CD1-CD2 4.34Å; L208-G259 VanDerWaalsContact CD2-C 3.46Å; L208-G259 WeakPolarHBondContact CD2-O 3.35Å
209	G	88.6	Confident	93.2	Very high	45 Å²	45	42.5 Å²	42.5	46%	0.464	27%	0.267	S	S	.	.			trans	-72.8	148.4	175	0	0	0	0	0	111.7	N207 W254	N207-G209 VanDerWaalsContact C-N 3.32Å; N207-G209 PolarHBondContact O-N 2.83Å; G209-W254 VanDerWaalsContact O-CH2 3.31Å; G209-W254 WeakPolarHBondContact O-CH2 3.32Å
210	G	88.5	Confident	93.5	Very high	44 Å²	44	43.8 Å²	43.8	45%	0.454	28%	0.278	S	S	.	.			trans	151.3	-12.3	171.8	0	0	0	0	0	115.8	K252	G210-K252 WeakPolarHBondContact O-CE 3.44Å
211	H	96.6	Very high	93.9	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.037	26%	0.263	C	S	.	.			trans	-73.4	146.9	165.9	-78.9	-68.3	0	0	0	110.4	T192 V215 S244 S246 D248	T192-H211 WeakPolarHBondContact O-CB 3.21Å; H211-V215 HydrophobicContact CB-CG2 4.45Å; H211-S244 PolarHBondContact NE2-OG 3.19Å; H211-S246 VanDerWaalsContact CE1-CB 3.44Å; H211-S246 WeakPolarHBondContact CE1-CB 3.45Å; H211-S246 WeakPolarHBondContact ND1-CB 3.29Å; H211-D248 WeakPolarHBondContact CA-OD2 3.36Å; H211-D248 WeakPolarHBondContact CB-OD2 3.44Å; H211-D248 IonicContact CE1-OD1 3.08Å; H211-D248 IonicContact CE1-OD2 2.76Å; H211-D248 IonicContact CG-OD2 3.6Å; H211-D248 IonicContact ND1-OD1 3.43Å; H211-D248 PolarHBondContact ND1-OD1 3.22Å; H211-D248 IonicContact ND1-OD2 3.88Å; H211-D248 PolarHBondContact ND1-OD2 3.12Å
212	T	96.6	Very high	94.2	Very high	124 Å²	124	40.3 Å²	40.3	76%	0.761	26%	0.256	S	S	*	.	S	Bend	trans	-101.8	-3.8	176.6	56.6	0	0	0	0	112.6	D248	T212-D248 PolarHBondContact N-OD2 2.92Å; T212-D248 VanDerWaalsContact OG1-CB 3.3Å; T212-D248 WeakPolarHBondContact OG1-CB 3.48Å
213	G	96.3	Very high	94.5	Very high	16 Å²	16	41.8 Å²	41.8	17%	0.165	26%	0.263	C	S	.	.	S	Bend	trans	-134.2	167.7	176	0	0	0	0	0	110.8	V215 S246	G213-V215 PolarHBondContact O-N 3.35Å; G213-S246 VanDerWaalsContact C-OG 3.24Å; G213-S246 PolarHBondContact O-OG 3.22Å
214	G	96.9	Very high	94.6	Very high	18 Å²	18	43 Å²	43	19%	0.186	27%	0.265	C	S	.	.			trans	-58	133.7	-178.9	0	0	0	0	0	111.7	S246 A247	G214-S246 WeakPolarHBondContact O-CA 3.43Å; G214-S246 PolarHBondContact O-OG 2.86Å; G214-A247 PolarHBondContact O-N 3Å
215	V	97.9	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.3	173.2	-176.2	0	0	0	0	107.4	T176 S189 V194 H211 G213 L218 G245	T176-V215 WeakPolarHBondContact CB-O 3.4Å; T176-V215 WeakPolarHBondContact CG2-O 3.22Å; T176-V215 PolarHBondContact OG1-O 2.82Å; S189-V215 PolarHBondContact O-N 3.43Å; V194-V215 HydrophobicContact CG2-CG1 4.1Å; V194-V215 HydrophobicContact CG2-CG2 3.82Å; H211-V215 HydrophobicContact CB-CG2 4.45Å; G213-V215 PolarHBondContact O-N 3.35Å; V215-L218 HydrophobicContact CG1-CD2 4.38Å; V215-G245 WeakPolarHBondContact CG1-O 3.38Å
216	T	96.6	Very high	94.6	Very high	32 Å²	32	35.6 Å²	35.6	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-29.3	-173.2	54.5	0	0	0	0	112.4	G245 V271	T216-G245 PolarHBondContact N-O 3.41Å; T216-G245 PolarHBondContact OG1-O 3Å; T216-G245 VanDerWaalsContact OG1-O 3.11Å; T216-V271 WeakPolarHBondContact CB-O 3.37Å; T216-V271 PolarHBondContact OG1-O 2.89Å
217	C	96.6	Very high	94.6	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	151	-173.3	50.2	0	0	0	0	111.8	S177 S244 G245 L274	S177-C217 WeakPolarHBondContact OG-CA 3.41Å; C217-S244 WeakPolarHBondContact O-CA 3.3Å; C217-G245 PolarHBondContact N-O 2.87Å; C217-G245 PolarHBondContact O-N 2.84Å; C217-L274 HydrophobicContact CB-CB 3.9Å; C217-L274 WeakPolarHBondContact SG-CB 3.41Å
218	L	97.7	Very high	94.5	Very high	19 Å²	19	37.2 Å²	37.2	10%	0.099	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.2	177.3	-72	176.2	0	0	0	109.8	S177 V179 V186 G188 V194 V215 I242 L243	S177-L218 WeakPolarHBondContact OG-CG 3.49Å; V179-L218 HydrophobicContact CB-CB 4.49Å; V179-L218 HydrophobicContact CG1-CB 4.18Å; V179-L218 HydrophobicContact CG1-CD1 4.38Å; V186-L218 HydrophobicContact CG1-CD1 4.23Å; V186-L218 WeakPolarHBondContact O-CD1 3.46Å; G188-L218 VanDerWaalsContact N-CD1 3.3Å; V194-L218 HydrophobicContact CG1-CD2 4.14Å; V194-L218 HydrophobicContact CG2-CD2 4.21Å; V215-L218 HydrophobicContact CG1-CD2 4.38Å; L218-I242 HydrophobicContact CD2-CG2 3.91Å; L218-L243 CarbonylContact C-O 3.49Å; L218-L243 VanDerWaalsContact CA-O 3.3Å; L218-L243 WeakPolarHBondContact CA-O 3.47Å; L218-L243 WeakPolarHBondContact CD2-O 3.42Å
219	S	96.9	Very high	94.5	Very high	14 Å²	14	37.8 Å²	37.8	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.8	171.6	178.6	0	0	0	0	110.8	L243 F276	S219-L243 PolarHBondContact N-O 2.95Å; S219-L243 PolarHBondContact O-N 2.57Å; S219-F276 PolarHBondContact OG-N 3.38Å; S219-F276 VanDerWaalsContact OG-N 3.16Å
220	A	95.1	Very high	94.7	Very high	32 Å²	32	35.6 Å²	35.6	26%	0.264	21%	0.208	S	C	.	.			trans	-113.4	113.8	177.3	0	0	0	0	0	110	V179 V181 I242	V179-A220 HydrophobicContact CG2-CB 3.61Å; V181-A220 HydrophobicContact CG2-CB 3.51Å; A220-I242 HydrophobicContact CB-CD1 3.69Å
221	P	95	Very high	94.9	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.052	21%	0.21	C	C	.	.			trans	-63.9	148.6	171.3	-20.4	33.1	0	0	0	111.5	C226 F241 L243 F276 W298	P221-C226 PolarHBondContact O-SG 2.96Å; P221-F241 WeakPolarHBondContact CD-O 3.43Å; P221-L243 HydrophobicContact CG-CD1 3.92Å; P221-L243 HydrophobicContact CG-CG 4.04Å; P221-F276 HydrophobicContact CB-CD1 3.9Å; P221-F276 HydrophobicContact CB-CD2 3.95Å; P221-F276 HydrophobicContact CB-CE1 4.03Å; P221-F276 HydrophobicContact CB-CE2 4.09Å; P221-F276 HydrophobicContact CB-CG 3.84Å; P221-F276 HydrophobicContact CB-CZ 4.12Å; P221-F276 HydrophobicContact CG-CB 4.46Å; P221-F276 HydrophobicContact CG-CD2 3.9Å; P221-F276 HydrophobicContact CG-CE2 4.29Å; P221-F276 HydrophobicContact CG-CG 4.05Å; P221-W298 HydrophobicContact CB-CZ2 4.4Å; P221-W298 HydrophobicContact CG-CH2 3.82Å; P221-W298 HydrophobicContact CG-CZ2 4.14Å; P221-W298 HydrophobicContact CG-CZ3 4.27Å
222	P	93.1	Very high	94.7	Very high	48 Å²	48	44.2 Å²	44.2	31%	0.312	24%	0.242	S	C	.	.			trans	-60.2	155.9	176.2	-26.2	35.4	0	0	0	113.4	E224 Y225 C226 P278	P222-E224 PolarHBondContact O-N 2.98Å; P222-Y225 HydrophobicContact CB-CD2 4.38Å; P222-Y225 HydrophobicContact CG-CD2 4.39Å; P222-Y225 PolarHBondContact O-N 3.34Å; P222-Y225 VanDerWaalsContact O-N 3.09Å; P222-C226 PolarHBondContact O-N 3.29Å; P222-C226 VanDerWaalsContact O-N 3.11Å; P222-P278 HydrophobicContact CG-CB 3.75Å; P222-P278 HydrophobicContact CG-CG 4.44Å
223	P	92.9	Very high	94.5	Very high	61 Å²	61	41.4 Å²	41.4	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-57.9	-26.7	-176.9	-27.4	35.1	0	0	0	115	R227	P223-R227 WeakPolarHBondContact O-CB 3.12Å; P223-R227 WeakPolarHBondContact O-CG 3.39Å; P223-R227 PolarHBondContact O-N 3.37Å; P223-R227 PolarHBondContact O-NE 3.19Å
224	E	92.5	Very high	94.3	Very high	89 Å²	89	46 Å²	46	42%	0.416	25%	0.252	S	S	.	.	H	α-helix	trans	-67.4	-45.9	176	-173.4	-179.2	170.5	0	0	112.7	P222 C226 R227 R228	P222-E224 PolarHBondContact O-N 2.98Å; E224-C226 VanDerWaalsContact C-N 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.31Å; E224-R227 PolarHBondContact O-N 2.79Å; E224-R228 PolarHBondContact O-N 3.4Å; E224-R228 VanDerWaalsContact O-N 3.12Å; E224-R228 IonicContact OE1-CZ 2.77Å; E224-R228 IonicContact OE1-NE 3.88Å; E224-R228 IonicContact OE1-NH2 2.71Å; E224-R228 PolarHBondContact OE1-NH2 2.78Å
225	Y	92.9	Very high	94.1	Very high	15 Å²	15	47.5 Å²	47.5	6%	0.059	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-35.2	177.5	-74.5	-83.1	0	0	0	111.7	P222 R228 L229 F276 P278 G280 W298	P222-Y225 HydrophobicContact CB-CD2 4.38Å; P222-Y225 HydrophobicContact CG-CD2 4.39Å; P222-Y225 PolarHBondContact O-N 3.34Å; P222-Y225 VanDerWaalsContact O-N 3.09Å; Y225-R228 PolarHBondContact O-N 3.48Å; Y225-L229 PolarHBondContact O-N 3.28Å; Y225-L229 VanDerWaalsContact O-N 3.1Å; Y225-F276 HydrophobicContact CD1-CE1 4.17Å; Y225-F276 AromaticContact CD1-CZ 3.74Å; Y225-F276 HydrophobicContact CD1-CZ 3.74Å; Y225-F276 AromaticContact CD2-CE1 3.7Å; Y225-F276 HydrophobicContact CD2-CE1 3.7Å; Y225-F276 HydrophobicContact CD2-CZ 4.11Å; Y225-F276 HydrophobicContact CE1-CZ 4.32Å; Y225-F276 HydrophobicContact CE2-CE1 4.17Å; Y225-F276 AromaticContact CG-CE1 3.69Å; Y225-F276 HydrophobicContact CG-CE1 3.69Å; Y225-F276 AromaticContact CG-CZ 3.61Å; Y225-F276 HydrophobicContact CG-CZ 3.61Å; Y225-P278 HydrophobicContact CD2-CB 4.24Å; Y225-P278 HydrophobicContact CE2-CB 3.71Å; Y225-P278 VanDerWaalsContact CE2-O 3.24Å; Y225-P278 WeakPolarHBondContact CE2-O 3.38Å; Y225-P278 VanDerWaalsContact CZ-O 3.28Å; Y225-P278 PolarHBondContact OH-O 3.03Å; Y225-G280 PolarHBondContact OH-O 2.69Å; Y225-G280 VanDerWaalsContact OH-O 3.06Å; Y225-W298 AromaticContact CD1-CD1 3.82Å; Y225-W298 PolarHBondContact O-NE1 2.9Å
226	C	94.2	Very high	93.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-47.4	170.8	-66.2	0	0	0	0	111.3	P221 P222 E224 R228 L229 A230 F241	P221-C226 PolarHBondContact O-SG 2.96Å; P222-C226 PolarHBondContact O-N 3.29Å; P222-C226 VanDerWaalsContact O-N 3.11Å; E224-C226 VanDerWaalsContact C-N 3.32Å; C226-R228 PolarHBondContact O-N 3.48Å; C226-L229 PolarHBondContact O-N 2.76Å; C226-A230 VanDerWaalsContact O-CB 3.29Å; C226-A230 WeakPolarHBondContact O-CB 3.46Å; C226-A230 PolarHBondContact O-N 2.7Å; C226-F241 HydrophobicContact CB-CD2 3.85Å; C226-F241 HydrophobicContact CB-CE2 4.43Å; C226-F241 WeakPolarHBondContact O-CE2 3.44Å; C226-F241 PolarHBondContact SG-N 3.28Å
227	R	93.6	Very high	93.6	Very high	97 Å²	97	52.8 Å²	52.8	37%	0.366	29%	0.288	S	S	.	.	H	α-helix	trans	-57.6	-44.8	177.2	-84.5	-179.5	-64.6	136.6	-4.3	112.9	P223 E224 A230 R231 D237	P223-R227 WeakPolarHBondContact O-CB 3.12Å; P223-R227 WeakPolarHBondContact O-CG 3.39Å; P223-R227 PolarHBondContact O-N 3.37Å; P223-R227 PolarHBondContact O-NE 3.19Å; E224-R227 WeakPolarHBondContact O-CB 3.31Å; E224-R227 PolarHBondContact O-N 2.79Å; R227-A230 PolarHBondContact O-N 3.42Å; R227-R231 WeakPolarHBondContact O-CG 3.49Å; R227-R231 PolarHBondContact O-N 2.92Å; R227-D237 HydrophobicContact CG-CB 4.48Å; R227-D237 WeakPolarHBondContact CG-O 3.37Å
228	R	91.9	Very high	93.3	Very high	100 Å²	100	60.3 Å²	60.3	38%	0.377	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-46.7	179	-67.1	179.8	-169.8	-172.5	4.7	111.5	E224 Y225 C226 R231 S232	E224-R228 PolarHBondContact O-N 3.4Å; E224-R228 VanDerWaalsContact O-N 3.12Å; E224-R228 IonicContact OE1-CZ 2.77Å; E224-R228 IonicContact OE1-NE 3.88Å; E224-R228 IonicContact OE1-NH2 2.71Å; E224-R228 PolarHBondContact OE1-NH2 2.78Å; Y225-R228 PolarHBondContact O-N 3.48Å; C226-R228 PolarHBondContact O-N 3.48Å; R228-R231 PolarHBondContact O-N 3.49Å; R228-S232 PolarHBondContact O-N 3.26Å; R228-S232 VanDerWaalsContact O-N 3.17Å
229	L	93.3	Very high	93.1	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.073	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-41.8	177.5	-179.7	59	0	0	0	111.8	Y225 C226 R231 S232 L233 F241 I253 W298 F301	Y225-L229 PolarHBondContact O-N 3.28Å; Y225-L229 VanDerWaalsContact O-N 3.1Å; C226-L229 PolarHBondContact O-N 2.76Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.44Å; L229-S232 PolarHBondContact O-N 3Å; L229-S232 VanDerWaalsContact O-N 3.16Å; L229-L233 HydrophobicContact CD1-CD1 3.76Å; L229-L233 HydrophobicContact CD1-CG 4.02Å; L229-L233 HydrophobicContact CD2-CD1 4.3Å; L229-L233 HydrophobicContact CG-CD1 3.7Å; L229-L233 HydrophobicContact CG-CG 4.38Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.3Å; L229-F241 HydrophobicContact CB-CD2 4.45Å; L229-F241 HydrophobicContact CB-CE2 4.01Å; L229-F241 HydrophobicContact CB-CZ 4.41Å; L229-F241 HydrophobicContact CD2-CD1 4.1Å; L229-F241 HydrophobicContact CD2-CD2 4.11Å; L229-F241 HydrophobicContact CD2-CE1 4.06Å; L229-F241 HydrophobicContact CD2-CE2 4.08Å; L229-F241 HydrophobicContact CD2-CG 4.11Å; L229-F241 HydrophobicContact CD2-CZ 4.05Å; L229-F241 HydrophobicContact CG-CE1 4.41Å; L229-F241 HydrophobicContact CG-CE2 4.03Å; L229-F241 HydrophobicContact CG-CZ 3.97Å; L229-I253 HydrophobicContact CD2-CG2 4.31Å; L229-W298 HydrophobicContact CB-CZ2 4.01Å; L229-W298 HydrophobicContact CD2-CH2 3.59Å; L229-W298 HydrophobicContact CD2-CZ2 3.26Å; L229-W298 HydrophobicContact CD2-CZ3 4.46Å; L229-W298 HydrophobicContact CG-CZ2 4.23Å; L229-F301 HydrophobicContact CD1-CE2 4.36Å; L229-F301 HydrophobicContact CD1-CZ 3.74Å; L229-F301 HydrophobicContact CD2-CZ 4.2Å
230	A	93.8	Very high	93	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-56.6	-46	177.1	0	0	0	0	0	111.5	C226 R227 S232 L233 S234 L235 S236 E239 F241	C226-A230 VanDerWaalsContact O-CB 3.29Å; C226-A230 WeakPolarHBondContact O-CB 3.46Å; C226-A230 PolarHBondContact O-N 2.7Å; R227-A230 PolarHBondContact O-N 3.42Å; A230-S232 PolarHBondContact O-N 2.78Å; A230-L233 CarbonylContact O-C 3.5Å; A230-L233 PolarHBondContact O-N 3.39Å; A230-L233 VanDerWaalsContact O-N 3.12Å; A230-S234 PolarHBondContact O-N 3.43Å; A230-L235 HydrophobicContact CB-CB 4.16Å; A230-L235 PolarHBondContact O-N 3.36Å; A230-S236 WeakPolarHBondContact CB-O 3.43Å; A230-E239 HydrophobicContact CB-CB 4.03Å; A230-F241 HydrophobicContact CB-CE2 4.03Å; A230-F241 HydrophobicContact CB-CZ 4.32Å
231	R	93.1	Very high	93.1	Very high	133 Å²	133	60 Å²	60	50%	0.502	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-43.1	176	-71.2	175.6	-169.7	157.4	-3	112.7	R227 R228 L229 L233 S234 D237	R227-R231 WeakPolarHBondContact O-CG 3.49Å; R227-R231 PolarHBondContact O-N 2.92Å; R228-R231 PolarHBondContact O-N 3.49Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 3.44Å; R231-L233 PolarHBondContact O-N 3.12Å; R231-S234 PolarHBondContact O-N 3.3Å; R231-S234 VanDerWaalsContact O-N 3.09Å; R231-D237 WeakPolarHBondContact CG-OD1 3.37Å; R231-D237 IonicContact CZ-OD1 3.65Å; R231-D237 IonicContact CZ-OD2 3.75Å; R231-D237 IonicContact NE-OD1 2.73Å; R231-D237 PolarHBondContact NE-OD1 2.93Å; R231-D237 IonicContact NE-OD2 2.76Å; R231-D237 PolarHBondContact NE-OD2 2.9Å; R231-D237 IonicContact NH2-OD1 3.15Å; R231-D237 IonicContact NH2-OD2 3.45Å; R231-D237 PolarHBondContact NH2-OD2 2.85Å
232	S	91.2	Very high	93.2	Very high	99 Å²	99	59.7 Å²	59.7	69%	0.692	31%	0.306	S	S	*	.	H	α-helix	trans	-62.4	-27.7	176.4	-174.5	0	0	0	0	112.5	R228 L229 A230	R228-S232 PolarHBondContact O-N 3.26Å; R228-S232 VanDerWaalsContact O-N 3.17Å; L229-S232 PolarHBondContact O-N 3Å; L229-S232 VanDerWaalsContact O-N 3.16Å; A230-S232 PolarHBondContact O-N 2.78Å
233	L	92.2	Very high	93.4	Very high	65 Å²	65	57.4 Å²	57.4	34%	0.34	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4.9	178.4	-64.1	169.4	0	0	0	113.1	L229 A230 R231 L235 F241 V262	L229-L233 HydrophobicContact CD1-CD1 3.76Å; L229-L233 HydrophobicContact CD1-CG 4.02Å; L229-L233 HydrophobicContact CD2-CD1 4.3Å; L229-L233 HydrophobicContact CG-CD1 3.7Å; L229-L233 HydrophobicContact CG-CG 4.38Å; L229-L233 WeakPolarHBondContact O-CG 3.33Å; L229-L233 PolarHBondContact O-N 3.3Å; A230-L233 CarbonylContact O-C 3.5Å; A230-L233 PolarHBondContact O-N 3.39Å; A230-L233 VanDerWaalsContact O-N 3.12Å; R231-L233 PolarHBondContact O-N 3.12Å; L233-L235 HydrophobicContact CB-CD1 4.08Å; L233-L235 HydrophobicContact CB-CG 3.9Å; L233-L235 HydrophobicContact CD1-CD1 4.28Å; L233-L235 PolarHBondContact O-N 3.15Å; L233-F241 HydrophobicContact CD1-CE1 4.02Å; L233-F241 HydrophobicContact CD1-CZ 3.93Å; L233-V262 HydrophobicContact CD1-CB 4.41Å; L233-V262 HydrophobicContact CD1-CG1 3.64Å; L233-V262 HydrophobicContact CD2-CG1 4.03Å; L233-V262 HydrophobicContact CG-CG1 4.42Å
234	S	93.4	Very high	93.7	Very high	114 Å²	114	54.5 Å²	54.5	80%	0.797	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	35.2	-174.7	-54.2	0	0	0	0	114.1	A230 R231	A230-S234 PolarHBondContact O-N 3.43Å; R231-S234 PolarHBondContact O-N 3.3Å; R231-S234 VanDerWaalsContact O-N 3.09Å
235	L	93.3	Very high	93.9	Very high	49 Å²	49	50.2 Å²	50.2	26%	0.257	25%	0.252	S	S	.	.			trans	-98.6	173.1	175.8	-58.8	-177.2	0	0	0	111.6	A230 L233 E239 F241 A255 I258	A230-L235 HydrophobicContact CB-CB 4.16Å; A230-L235 PolarHBondContact O-N 3.36Å; L233-L235 HydrophobicContact CB-CD1 4.08Å; L233-L235 HydrophobicContact CB-CG 3.9Å; L233-L235 HydrophobicContact CD1-CD1 4.28Å; L233-L235 PolarHBondContact O-N 3.15Å; L235-E239 HydrophobicContact CB-CB 4.47Å; L235-E239 HydrophobicContact CD1-CG 4.21Å; L235-F241 HydrophobicContact CD1-CE1 4.33Å; L235-F241 HydrophobicContact CD1-CZ 4.08Å; L235-A255 HydrophobicContact CD1-CB 4.39Å; L235-I258 HydrophobicContact CD1-CD1 3.69Å; L235-I258 HydrophobicContact CD2-CD1 3.48Å; L235-I258 VanDerWaalsContact CD2-CD1 3.48Å; L235-I258 HydrophobicContact CG-CD1 4.17Å
236	S	92	Very high	94.2	Very high	71 Å²	71	49.5 Å²	49.5	50%	0.497	25%	0.249	S	C	.	.			trans	-62	139.4	176.2	-174.9	0	0	0	0	111.8	A230 K238 E239	A230-S236 WeakPolarHBondContact CB-O 3.43Å; S236-K238 PolarHBondContact O-N 2.92Å; S236-K238 PolarHBondContact OG-N 2.79Å; S236-E239 WeakPolarHBondContact O-CB 3.46Å; S236-E239 PolarHBondContact O-N 3.45Å
237	D	90.8	Very high	94.3	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-15	170.5	-87.8	8.1	0	0	0	113.2	R227 R231	R227-D237 HydrophobicContact CG-CB 4.48Å; R227-D237 WeakPolarHBondContact CG-O 3.37Å; R231-D237 WeakPolarHBondContact CG-OD1 3.37Å; R231-D237 IonicContact CZ-OD1 3.65Å; R231-D237 IonicContact CZ-OD2 3.75Å; R231-D237 IonicContact NE-OD1 2.73Å; R231-D237 PolarHBondContact NE-OD1 2.93Å; R231-D237 IonicContact NE-OD2 2.76Å; R231-D237 PolarHBondContact NE-OD2 2.9Å; R231-D237 IonicContact NH2-OD1 3.15Å; R231-D237 IonicContact NH2-OD2 3.45Å; R231-D237 PolarHBondContact NH2-OD2 2.85Å
238	K	90.8	Very high	94.5	Very high	167 Å²	167	48.1 Å²	48.1	73%	0.726	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.5	173.9	-66.2	-175.5	179.6	179.6	0	113.2	S236 R240	S236-K238 PolarHBondContact O-N 2.92Å; S236-K238 PolarHBondContact OG-N 2.79Å; K238-R240 PolarHBondContact O-N 3.11Å; K238-R240 PolarHBondContact O-NH1 3.09Å
239	E	94	Very high	94.7	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.023	25%	0.246	C	C	.	.			trans	-58.2	138.8	-178.8	-166.2	60.1	-149.7	0	0	110.7	A230 L235 S236 F241 A255 L256 S257	A230-E239 HydrophobicContact CB-CB 4.03Å; L235-E239 HydrophobicContact CB-CB 4.47Å; L235-E239 HydrophobicContact CD1-CG 4.21Å; S236-E239 WeakPolarHBondContact O-CB 3.46Å; S236-E239 PolarHBondContact O-N 3.45Å; E239-F241 HydrophobicContact CB-CE2 4.46Å; E239-F241 HydrophobicContact CG-CE1 4.35Å; E239-F241 HydrophobicContact CG-CE2 4.14Å; E239-F241 HydrophobicContact CG-CZ 3.94Å; E239-A255 HydrophobicContact CG-CB 4.24Å; E239-A255 WeakPolarHBondContact OE1-CA 3.48Å; E239-A255 VanDerWaalsContact OE1-CB 3.31Å; E239-A255 WeakPolarHBondContact OE1-CB 3.34Å; E239-L256 PolarHBondContact OE1-N 3.22Å; E239-S257 VanDerWaalsContact CD-OG 3.3Å; E239-S257 PolarHBondContact OE1-N 2.83Å; E239-S257 PolarHBondContact OE1-OG 3.22Å; E239-S257 WeakPolarHBondContact OE2-CB 3.31Å; E239-S257 PolarHBondContact OE2-OG 2.89Å
240	R	94.8	Very high	94.9	Very high	54 Å²	54	45.3 Å²	45.3	20%	0.204	25%	0.25	C	S	.	.			trans	-115.6	142.1	174.4	-66.7	-67.2	-171.6	-87.9	-3.5	108.2	V181 D182 K238 L256	V181-R240 HydrophobicContact CG1-CB 4.22Å; V181-R240 HydrophobicContact CG1-CG 4.02Å; D182-R240 IonicContact OD1-NH2 3.29Å; D182-R240 IonicContact OD2-CZ 3.43Å; D182-R240 IonicContact OD2-NE 3.13Å; D182-R240 PolarHBondContact OD2-NE 3.43Å; D182-R240 IonicContact OD2-NH2 3.88Å; D182-R240 PolarHBondContact OD2-NH2 3.06Å; K238-R240 PolarHBondContact O-N 3.11Å; K238-R240 PolarHBondContact O-NH1 3.09Å; R240-L256 HydrophobicContact CB-CB 4.32Å; R240-L256 HydrophobicContact CB-CD1 3.79Å; R240-L256 HydrophobicContact CB-CG 4.37Å; R240-L256 WeakPolarHBondContact O-CB 3.41Å; R240-L256 PolarHBondContact O-N 3.21Å
241	F	95.7	Very high	95.1	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.5	176.4	-62.7	-85.6	0	0	0	111	P221 C226 L229 A230 L233 L235 E239 I253 W254 A255 V262 W298	P221-F241 WeakPolarHBondContact CD-O 3.43Å; C226-F241 HydrophobicContact CB-CD2 3.85Å; C226-F241 HydrophobicContact CB-CE2 4.43Å; C226-F241 WeakPolarHBondContact O-CE2 3.44Å; C226-F241 PolarHBondContact SG-N 3.28Å; L229-F241 HydrophobicContact CB-CD2 4.45Å; L229-F241 HydrophobicContact CB-CE2 4.01Å; L229-F241 HydrophobicContact CB-CZ 4.41Å; L229-F241 HydrophobicContact CD2-CD1 4.1Å; L229-F241 HydrophobicContact CD2-CD2 4.11Å; L229-F241 HydrophobicContact CD2-CE1 4.06Å; L229-F241 HydrophobicContact CD2-CE2 4.08Å; L229-F241 HydrophobicContact CD2-CG 4.11Å; L229-F241 HydrophobicContact CD2-CZ 4.05Å; L229-F241 HydrophobicContact CG-CE1 4.41Å; L229-F241 HydrophobicContact CG-CE2 4.03Å; L229-F241 HydrophobicContact CG-CZ 3.97Å; A230-F241 HydrophobicContact CB-CE2 4.03Å; A230-F241 HydrophobicContact CB-CZ 4.32Å; L233-F241 HydrophobicContact CD1-CE1 4.02Å; L233-F241 HydrophobicContact CD1-CZ 3.93Å; L235-F241 HydrophobicContact CD1-CE1 4.33Å; L235-F241 HydrophobicContact CD1-CZ 4.08Å; E239-F241 HydrophobicContact CB-CE2 4.46Å; E239-F241 HydrophobicContact CG-CE1 4.35Å; E239-F241 HydrophobicContact CG-CE2 4.14Å; E239-F241 HydrophobicContact CG-CZ 3.94Å; F241-I253 HydrophobicContact CB-CG2 4.17Å; F241-I253 HydrophobicContact CD1-CG2 3.95Å; F241-I253 HydrophobicContact CG-CG2 4.37Å; F241-W254 CarbonylContact C-O 3.41Å; F241-W254 WeakPolarHBondContact CA-O 2.92Å; F241-A255 HydrophobicContact CD1-CB 4.3Å; F241-A255 HydrophobicContact CE1-CB 3.98Å; F241-V262 HydrophobicContact CE1-CG2 4.11Å; F241-W298 HydrophobicContact CB-CH2 4.29Å
242	I	97.3	Very high	95.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.6	168.9	-69.1	-61.3	0	0	0	109.3	V179 V181 V186 L218 A220 I253 W254 L256	V179-I242 HydrophobicContact CG1-CD1 3.79Å; V181-I242 HydrophobicContact CG2-CD1 3.56Å; V186-I242 HydrophobicContact CB-CG1 4.39Å; V186-I242 HydrophobicContact CG1-CG1 4.26Å; V186-I242 HydrophobicContact CG1-CG2 4.09Å; V186-I242 HydrophobicContact CG2-CD1 4.33Å; V186-I242 HydrophobicContact CG2-CG1 4.05Å; L218-I242 HydrophobicContact CD2-CG2 3.91Å; A220-I242 HydrophobicContact CB-CD1 3.69Å; I242-I253 WeakPolarHBondContact O-CA 3.07Å; I242-W254 PolarHBondContact N-O 3.15Å; I242-W254 PolarHBondContact O-N 3.21Å; I242-L256 HydrophobicContact CB-CD2 4.39Å; I242-L256 HydrophobicContact CD1-CD1 4.29Å; I242-L256 HydrophobicContact CG1-CD1 3.73Å; I242-L256 HydrophobicContact CG1-CD2 3.68Å; I242-L256 HydrophobicContact CG1-CG 3.82Å
243	L	98	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.2	170.9	-55.9	171.7	0	0	0	109.2	L218 S219 P221 K252 I253 L274 F276 I284 W298	L218-L243 CarbonylContact C-O 3.49Å; L218-L243 VanDerWaalsContact CA-O 3.3Å; L218-L243 WeakPolarHBondContact CA-O 3.47Å; L218-L243 WeakPolarHBondContact CD2-O 3.42Å; S219-L243 PolarHBondContact N-O 2.95Å; S219-L243 PolarHBondContact O-N 2.57Å; P221-L243 HydrophobicContact CG-CD1 3.92Å; P221-L243 HydrophobicContact CG-CG 4.04Å; L243-K252 WeakPolarHBondContact CA-O 3.28Å; L243-I253 HydrophobicContact CD2-CB 4.25Å; L243-I253 HydrophobicContact CD2-CD1 4.07Å; L243-I253 HydrophobicContact CD2-CG1 3.62Å; L243-I253 HydrophobicContact CD2-CG2 4.14Å; L243-L274 HydrophobicContact CB-CD2 3.69Å; L243-L274 HydrophobicContact CB-CG 4.46Å; L243-F276 HydrophobicContact CD1-CB 4.17Å; L243-F276 HydrophobicContact CD1-CD2 3.94Å; L243-I284 HydrophobicContact CD1-CD1 4.45Å; L243-I284 HydrophobicContact CD1-CG1 3.96Å; L243-I284 HydrophobicContact CD1-CG2 4.14Å; L243-I284 HydrophobicContact CD2-CD1 4.04Å; L243-I284 HydrophobicContact CD2-CG1 4.45Å; L243-W298 HydrophobicContact CD1-CZ3 4.35Å; L243-W298 HydrophobicContact CD2-CH2 4.09Å; L243-W298 HydrophobicContact CD2-CZ3 3.54Å; L243-W298 HydrophobicContact CG-CZ3 4.35Å
244	S	98.1	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.1	171	61.8	0	0	0	0	111	H211 C217 V251 K252 W254	H211-S244 PolarHBondContact NE2-OG 3.19Å; C217-S244 WeakPolarHBondContact O-CA 3.3Å; S244-V251 CarbonylContact O-C 3.58Å; S244-V251 WeakPolarHBondContact O-CA 3.14Å; S244-K252 PolarHBondContact N-O 3.11Å; S244-K252 PolarHBondContact O-N 2.85Å; S244-W254 PolarHBondContact OG-NE1 3.01Å
245	G	97.9	Very high	96	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.7	170.5	0	0	0	0	0	110	V215 T216 C217	V215-G245 WeakPolarHBondContact CG1-O 3.38Å; T216-G245 PolarHBondContact N-O 3.41Å; T216-G245 PolarHBondContact OG1-O 3Å; T216-G245 VanDerWaalsContact OG1-O 3.11Å; C217-G245 PolarHBondContact N-O 2.87Å; C217-G245 PolarHBondContact O-N 2.84Å
246	S	98	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	161	-177.3	171	0	0	0	0	112.1	H211 G213 G214 D248 C249 N250 V271	H211-S246 VanDerWaalsContact CE1-CB 3.44Å; H211-S246 WeakPolarHBondContact CE1-CB 3.45Å; H211-S246 WeakPolarHBondContact ND1-CB 3.29Å; G213-S246 VanDerWaalsContact C-OG 3.24Å; G213-S246 PolarHBondContact O-OG 3.22Å; G214-S246 WeakPolarHBondContact O-CA 3.43Å; G214-S246 PolarHBondContact O-OG 2.86Å; S246-D248 VanDerWaalsContact CB-OD1 3.27Å; S246-D248 WeakPolarHBondContact CB-OD1 3.39Å; S246-D248 PolarHBondContact O-N 2.6Å; S246-D248 VanDerWaalsContact OG-CG 3.31Å; S246-D248 PolarHBondContact OG-N 3.37Å; S246-D248 VanDerWaalsContact OG-N 3.13Å; S246-D248 PolarHBondContact OG-OD1 3.22Å; S246-C249 PolarHBondContact O-N 2.87Å; S246-N250 PolarHBondContact N-O 3.46Å; S246-V271 PolarHBondContact O-N 2.86Å
247	A	97.1	Very high	96	Very high	48 Å²	48	25.8 Å²	25.8	40%	0.397	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-10	167.9	0	0	0	0	0	113.4	G214 C249	G214-A247 PolarHBondContact O-N 3Å; A247-C249 PolarHBondContact O-N 2.98Å
248	D	97.1	Very high	95.9	Very high	20 Å²	20	25.6 Å²	25.6	11%	0.107	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	12.3	172.6	70.2	11.3	0	0	0	114.7	H211 T212 S246 N250	H211-D248 WeakPolarHBondContact CA-OD2 3.36Å; H211-D248 WeakPolarHBondContact CB-OD2 3.44Å; H211-D248 IonicContact CE1-OD1 3.08Å; H211-D248 IonicContact CE1-OD2 2.76Å; H211-D248 IonicContact CG-OD2 3.6Å; H211-D248 IonicContact ND1-OD1 3.43Å; H211-D248 PolarHBondContact ND1-OD1 3.22Å; H211-D248 IonicContact ND1-OD2 3.88Å; H211-D248 PolarHBondContact ND1-OD2 3.12Å; T212-D248 PolarHBondContact N-OD2 2.92Å; T212-D248 VanDerWaalsContact OG1-CB 3.3Å; T212-D248 WeakPolarHBondContact OG1-CB 3.48Å; S246-D248 VanDerWaalsContact CB-OD1 3.27Å; S246-D248 WeakPolarHBondContact CB-OD1 3.39Å; S246-D248 PolarHBondContact O-N 2.6Å; S246-D248 VanDerWaalsContact OG-CG 3.31Å; S246-D248 PolarHBondContact OG-N 3.37Å; S246-D248 VanDerWaalsContact OG-N 3.13Å; S246-D248 PolarHBondContact OG-OD1 3.22Å; D248-N250 PolarHBondContact O-N 3.43Å; D248-N250 PolarHBondContact O-ND2 3.49Å; D248-N250 WeakPolarHBondContact OD1-CA 3.39Å; D248-N250 VanDerWaalsContact OD1-CB 3.26Å; D248-N250 WeakPolarHBondContact OD1-CB 3.37Å; D248-N250 PolarHBondContact OD1-N 3.27Å; D248-N250 PolarHBondContact OD1-ND2 3.3Å
249	C	97.3	Very high	96	Very high	26 Å²	26	18.5 Å²	18.5	18%	0.176	11%	0.111	C	C	.	.	S	Bend	trans	60.3	23.6	-177.8	-50.5	0	0	0	0	114	S246 A247 Y266 T267 N269 A270	S246-C249 PolarHBondContact O-N 2.87Å; A247-C249 PolarHBondContact O-N 2.98Å; C249-Y266 HydrophobicContact CB-CD2 4.2Å; C249-Y266 HydrophobicContact CB-CE2 3.66Å; C249-Y266 WeakPolarHBondContact O-CD2 3.4Å; C249-T267 PolarHBondContact O-N 2.89Å; C249-T267 PolarHBondContact O-OG1 2.91Å; C249-N269 WeakPolarHBondContact CA-O 3.3Å; C249-A270 PolarHBondContact SG-N 2.96Å; C249-A270 VanDerWaalsContact SG-N 3.37Å
250	N	97.6	Very high	95.9	Very high	29 Å²	29	24.3 Å²	24.3	16%	0.155	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144	173.9	-66.4	-91.7	0	0	0	112.4	S246 D248 S264 I265	S246-N250 PolarHBondContact N-O 3.46Å; D248-N250 PolarHBondContact O-N 3.43Å; D248-N250 PolarHBondContact O-ND2 3.49Å; D248-N250 WeakPolarHBondContact OD1-CA 3.39Å; D248-N250 VanDerWaalsContact OD1-CB 3.26Å; D248-N250 WeakPolarHBondContact OD1-CB 3.37Å; D248-N250 PolarHBondContact OD1-N 3.27Å; D248-N250 PolarHBondContact OD1-ND2 3.3Å; N250-S264 PolarHBondContact OD1-OG 2.86Å; N250-I265 CarbonylContact C-O 3.45Å; N250-I265 VanDerWaalsContact CA-O 3.26Å; N250-I265 WeakPolarHBondContact CA-O 3.29Å
251	V	98.1	Very high	96	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.9	155.5	178.8	0	0	0	0	108.6	S244 I265 T267 V271 L274 I284 T286	S244-V251 CarbonylContact O-C 3.58Å; S244-V251 WeakPolarHBondContact O-CA 3.14Å; V251-I265 HydrophobicContact CB-CB 4.38Å; V251-I265 PolarHBondContact N-O 3.23Å; V251-I265 PolarHBondContact O-N 2.81Å; V251-T267 HydrophobicContact CG2-CG2 3.9Å; V251-V271 HydrophobicContact CG2-CG1 4.32Å; V251-V271 HydrophobicContact CG2-CG2 3.9Å; V251-L274 HydrophobicContact CG1-CD1 4.29Å; V251-L274 HydrophobicContact CG2-CD1 4.19Å; V251-I284 HydrophobicContact CG1-CG2 4.43Å; V251-T286 HydrophobicContact CG2-CG2 3.6Å
252	K	98	Very high	96	Very high	25 Å²	25	26.9 Å²	26.9	11%	0.109	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.1	174.3	-69.7	-179.4	-172.9	-68.3	0	111.1	G210 L243 S244 W254 K263 S264	G210-K252 WeakPolarHBondContact O-CE 3.44Å; L243-K252 WeakPolarHBondContact CA-O 3.28Å; S244-K252 PolarHBondContact N-O 3.11Å; S244-K252 PolarHBondContact O-N 2.85Å; K252-W254 HydrophobicContact CB-CZ2 3.82Å; K252-W254 HydrophobicContact CD-CH2 3.95Å; K252-W254 HydrophobicContact CD-CZ2 3.44Å; K252-W254 VanDerWaalsContact CD-CZ2 3.44Å; K252-W254 HydrophobicContact CG-CZ2 4.27Å; K252-K263 WeakPolarHBondContact CA-O 3.4Å; K252-S264 PolarHBondContact NZ-OG 3.42Å
253	I	97.8	Very high	95.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.5	176.8	-46.9	-172.9	0	0	0	107.8	L229 F241 I242 L243 C261 V262 K263 I265 I284 W298 F301	L229-I253 HydrophobicContact CD2-CG2 4.31Å; F241-I253 HydrophobicContact CB-CG2 4.17Å; F241-I253 HydrophobicContact CD1-CG2 3.95Å; F241-I253 HydrophobicContact CG-CG2 4.37Å; I242-I253 WeakPolarHBondContact O-CA 3.07Å; L243-I253 HydrophobicContact CD2-CB 4.25Å; L243-I253 HydrophobicContact CD2-CD1 4.07Å; L243-I253 HydrophobicContact CD2-CG1 3.62Å; L243-I253 HydrophobicContact CD2-CG2 4.14Å; I253-C261 CarbonylContact O-C 3.57Å; I253-V262 PolarHBondContact O-N 2.73Å; I253-K263 HydrophobicContact CB-CB 4.05Å; I253-K263 HydrophobicContact CD1-CB 3.89Å; I253-K263 HydrophobicContact CD1-CG 4.31Å; I253-K263 HydrophobicContact CG1-CB 3.98Å; I253-K263 PolarHBondContact N-O 2.92Å; I253-K263 PolarHBondContact O-N 3.3Å; I253-I265 HydrophobicContact CD1-CD1 4.31Å; I253-I284 HydrophobicContact CD1-CD1 4.24Å; I253-W298 HydrophobicContact CD1-CE3 4.46Å; I253-W298 HydrophobicContact CD1-CH2 4.28Å; I253-W298 HydrophobicContact CD1-CZ3 3.72Å; I253-W298 HydrophobicContact CG2-CH2 3.93Å; I253-W298 HydrophobicContact CG2-CZ3 4.33Å; I253-F301 HydrophobicContact CD1-CD1 3.63Å; I253-F301 HydrophobicContact CD1-CE1 3.19Å; I253-F301 HydrophobicContact CD1-CZ 3.94Å
254	W	97.1	Very high	95.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.4	-174.9	-52.8	90.7	0	0	0	110.9	L208 G209 F241 I242 S244 K252 Q260 C261	L208-W254 HydrophobicContact CB-CD2 3.96Å; L208-W254 HydrophobicContact CB-CE3 3.64Å; L208-W254 HydrophobicContact CB-CH2 4.24Å; L208-W254 HydrophobicContact CB-CZ3 3.78Å; L208-W254 HydrophobicContact CD1-CB 3.83Å; L208-W254 HydrophobicContact CD1-CD2 4.15Å; L208-W254 HydrophobicContact CD1-CE3 4.32Å; L208-W254 HydrophobicContact CD1-CG 3.94Å; L208-W254 HydrophobicContact CD2-CE3 4.3Å; L208-W254 HydrophobicContact CG-CE3 4.3Å; L208-W254 WeakPolarHBondContact O-CH2 3.33Å; G209-W254 VanDerWaalsContact O-CH2 3.31Å; G209-W254 WeakPolarHBondContact O-CH2 3.32Å; F241-W254 CarbonylContact C-O 3.41Å; F241-W254 WeakPolarHBondContact CA-O 2.92Å; I242-W254 PolarHBondContact N-O 3.15Å; I242-W254 PolarHBondContact O-N 3.21Å; S244-W254 PolarHBondContact OG-NE1 3.01Å; K252-W254 HydrophobicContact CB-CZ2 3.82Å; K252-W254 HydrophobicContact CD-CH2 3.95Å; K252-W254 HydrophobicContact CD-CZ2 3.44Å; K252-W254 VanDerWaalsContact CD-CZ2 3.44Å; K252-W254 HydrophobicContact CG-CZ2 4.27Å; W254-Q260 WeakPolarHBondContact CA-O 3.44Å; W254-C261 HydrophobicContact CD2-CB 4.25Å; W254-C261 HydrophobicContact CE3-CB 3.61Å; W254-C261 HydrophobicContact CH2-CB 3.96Å; W254-C261 HydrophobicContact CZ3-CB 3.46Å; W254-C261 VanDerWaalsContact CZ3-CB 3.46Å
255	A	95.5	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	114.9	166.5	0	0	0	0	0	108.6	L235 E239 F241 I258 G259 Q260 V262	L235-A255 HydrophobicContact CD1-CB 4.39Å; E239-A255 HydrophobicContact CG-CB 4.24Å; E239-A255 WeakPolarHBondContact OE1-CA 3.48Å; E239-A255 VanDerWaalsContact OE1-CB 3.31Å; E239-A255 WeakPolarHBondContact OE1-CB 3.34Å; F241-A255 HydrophobicContact CD1-CB 4.3Å; F241-A255 HydrophobicContact CE1-CB 3.98Å; A255-I258 HydrophobicContact CB-CB 4.11Å; A255-I258 HydrophobicContact CB-CD1 4Å; A255-I258 HydrophobicContact CB-CG1 4.19Å; A255-G259 WeakPolarHBondContact O-CA 2.92Å; A255-G259 PolarHBondContact O-N 3.38Å; A255-Q260 PolarHBondContact N-O 2.79Å; A255-Q260 PolarHBondContact O-N 2.9Å; A255-V262 HydrophobicContact CB-CG2 3.53Å
256	L	93.1	Very high	95.8	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-40.9	-172.2	-76.7	-176.1	0	0	0	114	V181 L184 V186 V196 L208 E239 R240 I242	V181-L256 HydrophobicContact CB-CD1 4.45Å; V181-L256 HydrophobicContact CG1-CD1 4.32Å; L184-L256 HydrophobicContact CD1-CD1 4.47Å; V186-L256 HydrophobicContact CG2-CD1 4.39Å; V186-L256 HydrophobicContact CG2-CD2 4Å; V196-L256 HydrophobicContact CG1-CD2 4.43Å; V196-L256 HydrophobicContact CG2-CD2 3.66Å; L208-L256 HydrophobicContact CD1-CD2 4.34Å; E239-L256 PolarHBondContact OE1-N 3.22Å; R240-L256 HydrophobicContact CB-CB 4.32Å; R240-L256 HydrophobicContact CB-CD1 3.79Å; R240-L256 HydrophobicContact CB-CG 4.37Å; R240-L256 WeakPolarHBondContact O-CB 3.41Å; R240-L256 PolarHBondContact O-N 3.21Å; I242-L256 HydrophobicContact CB-CD2 4.39Å; I242-L256 HydrophobicContact CD1-CD1 4.29Å; I242-L256 HydrophobicContact CG1-CD1 3.73Å; I242-L256 HydrophobicContact CG1-CD2 3.68Å; I242-L256 HydrophobicContact CG1-CG 3.82Å
257	S	91.1	Very high	95.6	Very high	79 Å²	79	39.8 Å²	39.8	55%	0.552	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-38.6	-177.5	-36.8	0	0	0	0	110.8	E239	E239-S257 VanDerWaalsContact CD-OG 3.3Å; E239-S257 PolarHBondContact OE1-N 2.83Å; E239-S257 PolarHBondContact OE1-OG 3.22Å; E239-S257 WeakPolarHBondContact OE2-CB 3.31Å; E239-S257 PolarHBondContact OE2-OG 2.89Å
258	I	90.4	Very high	95.4	Very high	68 Å²	68	44.4 Å²	44.4	35%	0.349	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-36.9	-179.6	-51.7	176.7	0	0	0	110	L235 A255 Q260	L235-I258 HydrophobicContact CD1-CD1 3.69Å; L235-I258 HydrophobicContact CD2-CD1 3.48Å; L235-I258 VanDerWaalsContact CD2-CD1 3.48Å; L235-I258 HydrophobicContact CG-CD1 4.17Å; A255-I258 HydrophobicContact CB-CB 4.11Å; A255-I258 HydrophobicContact CB-CD1 4Å; A255-I258 HydrophobicContact CB-CG1 4.19Å; I258-Q260 HydrophobicContact CG2-CB 4.01Å; I258-Q260 HydrophobicContact CG2-CG 3.86Å
259	G	91.5	Very high	95.3	Very high	18 Å²	18	45.5 Å²	45.5	19%	0.186	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	33.5	-175.5	0	0	0	0	0	113.1	L208 A255	L208-G259 VanDerWaalsContact CD2-C 3.46Å; L208-G259 WeakPolarHBondContact CD2-O 3.35Å; A255-G259 WeakPolarHBondContact O-CA 2.92Å; A255-G259 PolarHBondContact O-N 3.38Å
260	Q	93.1	Very high	95.2	Very high	127 Å²	127	44.6 Å²	44.6	59%	0.593	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.5	-177.5	-73.2	-176.7	-11.7	0	0	111.9	W254 A255 I258 V262	W254-Q260 WeakPolarHBondContact CA-O 3.44Å; A255-Q260 PolarHBondContact N-O 2.79Å; A255-Q260 PolarHBondContact O-N 2.9Å; I258-Q260 HydrophobicContact CG2-CB 4.01Å; I258-Q260 HydrophobicContact CG2-CG 3.86Å; Q260-V262 PolarHBondContact O-N 2.76Å
261	C	96	Very high	95.2	Very high	52 Å²	52	43.3 Å²	43.3	35%	0.351	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.1	169.9	178.3	0	0	0	0	108.9	I253 W254 K263	I253-C261 CarbonylContact O-C 3.57Å; W254-C261 HydrophobicContact CD2-CB 4.25Å; W254-C261 HydrophobicContact CE3-CB 3.61Å; W254-C261 HydrophobicContact CH2-CB 3.96Å; W254-C261 HydrophobicContact CZ3-CB 3.46Å; W254-C261 VanDerWaalsContact CZ3-CB 3.46Å; C261-K263 PolarHBondContact SG-O 2.67Å
262	V	95.4	Very high	95.1	Very high	56 Å²	56	44.6 Å²	44.6	34%	0.339	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-26.2	-179.1	-153.5	0	0	0	0	111.9	L233 F241 I253 A255 Q260	L233-V262 HydrophobicContact CD1-CB 4.41Å; L233-V262 HydrophobicContact CD1-CG1 3.64Å; L233-V262 HydrophobicContact CD2-CG1 4.03Å; L233-V262 HydrophobicContact CG-CG1 4.42Å; F241-V262 HydrophobicContact CE1-CG2 4.11Å; I253-V262 PolarHBondContact O-N 2.73Å; A255-V262 HydrophobicContact CB-CG2 3.53Å; Q260-V262 PolarHBondContact O-N 2.76Å
263	K	96.1	Very high	95	Very high	91 Å²	91	43.5 Å²	43.5	40%	0.396	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.8	176.8	-164.3	73.1	177.2	-172.3	0	110.9	K252 I253 C261 I265 F301	K252-K263 WeakPolarHBondContact CA-O 3.4Å; I253-K263 HydrophobicContact CB-CB 4.05Å; I253-K263 HydrophobicContact CD1-CB 3.89Å; I253-K263 HydrophobicContact CD1-CG 4.31Å; I253-K263 HydrophobicContact CG1-CB 3.98Å; I253-K263 PolarHBondContact N-O 2.92Å; I253-K263 PolarHBondContact O-N 3.3Å; C261-K263 PolarHBondContact SG-O 2.67Å; K263-I265 HydrophobicContact CG-CG1 4.18Å; K263-F301 HydrophobicContact CD-CD2 3.94Å; K263-F301 HydrophobicContact CD-CE2 4.31Å; K263-F301 HydrophobicContact CD-CG 4.37Å; K263-F301 HydrophobicContact CG-CB 4.48Å; K263-F301 HydrophobicContact CG-CD1 4.41Å; K263-F301 HydrophobicContact CG-CD2 4.01Å; K263-F301 HydrophobicContact CG-CE2 4.32Å; K263-F301 HydrophobicContact CG-CG 4.03Å
264	S	97	Very high	95	Very high	50 Å²	50	44 Å²	44	35%	0.35	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.5	168.3	-159.6	0	0	0	0	107.7	N250 K252	N250-S264 PolarHBondContact OD1-OG 2.86Å; K252-S264 PolarHBondContact NZ-OG 3.42Å
265	I	97.6	Very high	95	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.7	-179.6	-56.1	173.5	0	0	0	107	N250 V251 I253 K263 I284 W296 F301	N250-I265 CarbonylContact C-O 3.45Å; N250-I265 VanDerWaalsContact CA-O 3.26Å; N250-I265 WeakPolarHBondContact CA-O 3.29Å; V251-I265 HydrophobicContact CB-CB 4.38Å; V251-I265 PolarHBondContact N-O 3.23Å; V251-I265 PolarHBondContact O-N 2.81Å; I253-I265 HydrophobicContact CD1-CD1 4.31Å; K263-I265 HydrophobicContact CG-CG1 4.18Å; I265-I284 HydrophobicContact CD1-CD1 3.89Å; I265-W296 HydrophobicContact CG2-CD2 4Å; I265-W296 HydrophobicContact CG2-CE3 3.46Å; I265-W296 VanDerWaalsContact CG2-CE3 3.46Å; I265-W296 HydrophobicContact CG2-CH2 4.05Å; I265-W296 HydrophobicContact CG2-CZ3 3.47Å; I265-W296 VanDerWaalsContact CG2-CZ3 3.47Å; I265-F301 HydrophobicContact CD1-CB 3.86Å; I265-F301 HydrophobicContact CD1-CD1 3.87Å; I265-F301 HydrophobicContact CD1-CG 4.25Å; I265-F301 HydrophobicContact CG1-CB 4.16Å
266	Y	97.1	Very high	95	Very high	120 Å²	120	44.5 Å²	44.5	47%	0.471	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.6	177.8	-174.4	-111.1	0	0	0	110.3	C249 F268 W296	C249-Y266 HydrophobicContact CB-CD2 4.2Å; C249-Y266 HydrophobicContact CB-CE2 3.66Å; C249-Y266 WeakPolarHBondContact O-CD2 3.4Å; Y266-F268 AromaticContact CD1-CD1 3.87Å; Y266-F268 HydrophobicContact CD1-CD1 3.87Å; Y266-F268 HydrophobicContact CD1-CD2 4.27Å; Y266-F268 AromaticContact CD1-CE1 3.95Å; Y266-F268 HydrophobicContact CD1-CE1 3.95Å; Y266-F268 HydrophobicContact CD1-CE2 4.35Å; Y266-F268 HydrophobicContact CD1-CG 4.03Å; Y266-F268 HydrophobicContact CD1-CZ 4.19Å; Y266-F268 HydrophobicContact CE1-CB 4.24Å; Y266-F268 AromaticContact CE1-CD1 3.44Å; Y266-F268 HydrophobicContact CE1-CD1 3.44Å; Y266-F268 VanDerWaalsContact CE1-CD1 3.44Å; Y266-F268 AromaticContact CE1-CE1 3.81Å; Y266-F268 HydrophobicContact CE1-CE1 3.81Å; Y266-F268 AromaticContact CE1-CG 3.82Å; Y266-F268 HydrophobicContact CE1-CG 3.82Å; Y266-F268 HydrophobicContact CE1-CZ 4.5Å; Y266-W296 WeakPolarHBondContact O-CH2 3.49Å
267	T	93.8	Very high	95.1	Very high	2 Å²	2	44 Å²	44	1%	0.012	23%	0.234	C	C	.	.			trans	-98.1	1.3	-173.5	54.3	0	0	0	0	113.6	C249 V251 N269 V271 T286 Q294 W296	C249-T267 PolarHBondContact O-N 2.89Å; C249-T267 PolarHBondContact O-OG1 2.91Å; V251-T267 HydrophobicContact CG2-CG2 3.9Å; T267-N269 PolarHBondContact O-N 3.13Å; T267-N269 PolarHBondContact OG1-O 3.38Å; T267-V271 HydrophobicContact CG2-CG2 3.97Å; T267-V271 VanDerWaalsContact OG1-CG2 3.27Å; T267-V271 WeakPolarHBondContact OG1-CG2 3.46Å; T267-T286 HydrophobicContact CG2-CG2 4.36Å; T267-Q294 PolarHBondContact O-OE1 3.45Å; T267-W296 HydrophobicContact CG2-CH2 4.37Å; T267-W296 HydrophobicContact CG2-CZ2 3.66Å
268	F	92.1	Very high	94.9	Very high	145 Å²	145	42.2 Å²	42.2	64%	0.636	22%	0.22	S	C	*	.	S	Bend	trans	64.1	-24.5	-175.8	-58.1	-90.9	0	0	0	116.2	Y266	Y266-F268 AromaticContact CD1-CD1 3.87Å; Y266-F268 HydrophobicContact CD1-CD1 3.87Å; Y266-F268 HydrophobicContact CD1-CD2 4.27Å; Y266-F268 AromaticContact CD1-CE1 3.95Å; Y266-F268 HydrophobicContact CD1-CE1 3.95Å; Y266-F268 HydrophobicContact CD1-CE2 4.35Å; Y266-F268 HydrophobicContact CD1-CG 4.03Å; Y266-F268 HydrophobicContact CD1-CZ 4.19Å; Y266-F268 HydrophobicContact CE1-CB 4.24Å; Y266-F268 AromaticContact CE1-CD1 3.44Å; Y266-F268 HydrophobicContact CE1-CD1 3.44Å; Y266-F268 VanDerWaalsContact CE1-CD1 3.44Å; Y266-F268 AromaticContact CE1-CE1 3.81Å; Y266-F268 HydrophobicContact CE1-CE1 3.81Å; Y266-F268 AromaticContact CE1-CG 3.82Å; Y266-F268 HydrophobicContact CE1-CG 3.82Å; Y266-F268 HydrophobicContact CE1-CZ 4.5Å
269	N	94.8	Very high	94.5	Very high	44 Å²	44	40.4 Å²	40.4	24%	0.235	21%	0.21	C	C	.	.	S	Bend	trans	-122.5	157	174.5	-51.1	-71.1	0	0	0	110.1	C249 T267 V271	C249-N269 WeakPolarHBondContact CA-O 3.3Å; T267-N269 PolarHBondContact O-N 3.13Å; T267-N269 PolarHBondContact OG1-O 3.38Å; N269-V271 PolarHBondContact O-N 2.96Å
270	A	96.2	Very high	93.8	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	21%	0.208	C	C	.	.			trans	-59	131	177.4	0	0	0	0	0	109.7	C249 S288 D289	C249-A270 PolarHBondContact SG-N 2.96Å; C249-A270 VanDerWaalsContact SG-N 3.37Å; A270-S288 VanDerWaalsContact O-CA 3.29Å; A270-S288 WeakPolarHBondContact O-CA 3.29Å; A270-D289 HydrophobicContact CB-CB 4.42Å; A270-D289 PolarHBondContact O-N 2.83Å
271	V	97.8	Very high	93.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.3	178.8	-171.9	0	0	0	0	107.3	T216 S246 V251 T267 N269 T286	T216-V271 WeakPolarHBondContact CB-O 3.37Å; T216-V271 PolarHBondContact OG1-O 2.89Å; S246-V271 PolarHBondContact O-N 2.86Å; V251-V271 HydrophobicContact CG2-CG1 4.32Å; V251-V271 HydrophobicContact CG2-CG2 3.9Å; T267-V271 HydrophobicContact CG2-CG2 3.97Å; T267-V271 VanDerWaalsContact OG1-CG2 3.27Å; T267-V271 WeakPolarHBondContact OG1-CG2 3.46Å; N269-V271 PolarHBondContact O-N 2.96Å; V271-T286 HydrophobicContact CG1-CG2 4.42Å
272	T	96.2	Very high	92.9	Very high	29 Å²	29	34.4 Å²	34.4	18%	0.178	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-26.5	-178.4	48.7	0	0	0	0	112.3	G287 S288 D289 V314	T272-G287 PolarHBondContact N-O 3Å; T272-G287 PolarHBondContact OG1-O 2.87Å; T272-G287 VanDerWaalsContact OG1-O 3.12Å; T272-S288 PolarHBondContact OG1-O 3.15Å; T272-D289 HydrophobicContact CG2-CB 4.02Å; T272-V314 VanDerWaalsContact CB-O 3.3Å; T272-V314 WeakPolarHBondContact CB-O 3.48Å; T272-V314 PolarHBondContact OG1-O 3.21Å
273	A	96.5	Very high	92.8	Very high	3 Å²	3	32 Å²	32	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.8	176.8	0	0	0	0	0	111.3	G287 V314 I317	A273-G287 PolarHBondContact N-O 3Å; A273-G287 PolarHBondContact O-N 2.92Å; A273-V314 HydrophobicContact CB-CG1 4.34Å; A273-I317 HydrophobicContact CB-CB 4.24Å; A273-I317 HydrophobicContact CB-CD1 4.12Å; A273-I317 HydrophobicContact CB-CG1 3.75Å
274	L	97.7	Very high	92.9	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.052	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	133.1	-173.3	-176.9	70.5	0	0	0	110.4	C217 L243 V251 I284 I285 T286	C217-L274 HydrophobicContact CB-CB 3.9Å; C217-L274 WeakPolarHBondContact SG-CB 3.41Å; L243-L274 HydrophobicContact CB-CD2 3.69Å; L243-L274 HydrophobicContact CB-CG 4.46Å; V251-L274 HydrophobicContact CG1-CD1 4.29Å; V251-L274 HydrophobicContact CG2-CD1 4.19Å; L274-I284 HydrophobicContact CD1-CG2 3.51Å; L274-I285 WeakPolarHBondContact CA-O 3.24Å; L274-T286 HydrophobicContact CD1-CG2 3.77Å
275	S	96.7	Very high	92.9	Very high	8 Å²	8	25.4 Å²	25.4	6%	0.056	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.1	169.1	-166.2	0	0	0	0	111	I285 S319	S275-I285 PolarHBondContact N-O 2.91Å; S275-I285 PolarHBondContact O-N 2.86Å; S275-S319 PolarHBondContact OG-OG 3.1Å
276	F	95.9	Very high	92.9	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.6	172.3	-174.6	-91.8	0	0	0	109.6	S219 P221 Y225 L243 P278 I284 W298 S319	S219-F276 PolarHBondContact OG-N 3.38Å; S219-F276 VanDerWaalsContact OG-N 3.16Å; P221-F276 HydrophobicContact CB-CD1 3.9Å; P221-F276 HydrophobicContact CB-CD2 3.95Å; P221-F276 HydrophobicContact CB-CE1 4.03Å; P221-F276 HydrophobicContact CB-CE2 4.09Å; P221-F276 HydrophobicContact CB-CG 3.84Å; P221-F276 HydrophobicContact CB-CZ 4.12Å; P221-F276 HydrophobicContact CG-CB 4.46Å; P221-F276 HydrophobicContact CG-CD2 3.9Å; P221-F276 HydrophobicContact CG-CE2 4.29Å; P221-F276 HydrophobicContact CG-CG 4.05Å; Y225-F276 HydrophobicContact CD1-CE1 4.17Å; Y225-F276 AromaticContact CD1-CZ 3.74Å; Y225-F276 HydrophobicContact CD1-CZ 3.74Å; Y225-F276 AromaticContact CD2-CE1 3.7Å; Y225-F276 HydrophobicContact CD2-CE1 3.7Å; Y225-F276 HydrophobicContact CD2-CZ 4.11Å; Y225-F276 HydrophobicContact CE1-CZ 4.32Å; Y225-F276 HydrophobicContact CE2-CE1 4.17Å; Y225-F276 AromaticContact CG-CE1 3.69Å; Y225-F276 HydrophobicContact CG-CE1 3.69Å; Y225-F276 AromaticContact CG-CZ 3.61Å; Y225-F276 HydrophobicContact CG-CZ 3.61Å; L243-F276 HydrophobicContact CD1-CB 4.17Å; L243-F276 HydrophobicContact CD1-CD2 3.94Å; F276-P278 HydrophobicContact CD1-CB 4.22Å; F276-P278 HydrophobicContact CE1-CB 4.04Å; F276-P278 WeakPolarHBondContact O-CD 3.44Å; F276-I284 HydrophobicContact CD2-CG1 4.34Å; F276-W298 HydrophobicContact CD2-CE3 4.29Å; F276-W298 HydrophobicContact CE2-CB 3.99Å; F276-W298 AromaticContact CE2-CD2 3.58Å; F276-W298 HydrophobicContact CE2-CD2 3.58Å; F276-W298 AromaticContact CE2-CE3 3.66Å; F276-W298 HydrophobicContact CE2-CE3 3.66Å; F276-W298 AromaticContact CE2-CG 3.74Å; F276-W298 HydrophobicContact CE2-CG 3.74Å; F276-W298 HydrophobicContact CE2-CZ3 4.35Å; F276-W298 HydrophobicContact CZ-CB 4.31Å; F276-W298 HydrophobicContact CZ-CD2 4.16Å; F276-W298 AromaticContact CZ-CG 3.99Å; F276-W298 HydrophobicContact CZ-CG 3.99Å; F276-S319 PolarHBondContact O-OG 3.06Å
277	A	93.7	Very high	92.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	111.8	177	0	0	0	0	0	109.7	E279 G282 Y283 I285 V324	A277-E279 PolarHBondContact O-N 2.8Å; A277-E279 VanDerWaalsContact O-N 3.14Å; A277-G282 WeakPolarHBondContact O-CA 3.24Å; A277-Y283 PolarHBondContact N-O 3.46Å; A277-Y283 PolarHBondContact O-N 3.17Å; A277-I285 HydrophobicContact CB-CG1 4.12Å; A277-V324 HydrophobicContact CB-CG2 4.01Å
278	P	87.9	Confident	93.1	Very high	40 Å²	40	19.5 Å²	19.5	26%	0.26	11%	0.105	S	C	.	.			trans	-86.8	26.2	-168.4	37.5	-38.5	0	0	0	114.5	P222 Y225 F276	P222-P278 HydrophobicContact CG-CB 3.75Å; P222-P278 HydrophobicContact CG-CG 4.44Å; Y225-P278 HydrophobicContact CD2-CB 4.24Å; Y225-P278 HydrophobicContact CE2-CB 3.71Å; Y225-P278 VanDerWaalsContact CE2-O 3.24Å; Y225-P278 WeakPolarHBondContact CE2-O 3.38Å; Y225-P278 VanDerWaalsContact CZ-O 3.28Å; Y225-P278 PolarHBondContact OH-O 3.03Å; F276-P278 HydrophobicContact CD1-CB 4.22Å; F276-P278 HydrophobicContact CE1-CB 4.04Å; F276-P278 WeakPolarHBondContact O-CD 3.44Å
279	E	80.9	Confident	93.1	Very high	31 Å²	31	15 Å²	15	15%	0.145	9%	0.088	C	C	.	.	S	Bend	trans	-104.2	138.4	-173.5	-68.5	-78.9	165.5	0	0	111.6	A277 D281 G282 G321 R340	A277-E279 PolarHBondContact O-N 2.8Å; A277-E279 VanDerWaalsContact O-N 3.14Å; E279-D281 PolarHBondContact O-N 3.27Å; E279-G282 PolarHBondContact O-N 3.1Å; E279-G282 VanDerWaalsContact O-N 3.11Å; E279-G321 VanDerWaalsContact CG-C 3.49Å; E279-G321 VanDerWaalsContact CG-O 3.24Å; E279-G321 WeakPolarHBondContact CG-O 3.5Å; E279-R340 IonicContact OE2-CZ 3.59Å; E279-R340 IonicContact OE2-NE 3.54Å; E279-R340 PolarHBondContact OE2-NE 2.86Å; E279-R340 IonicContact OE2-NH2 3.92Å; E279-R340 PolarHBondContact OE2-NH2 2.96Å
280	G	77.6	Confident	93	Very high	14 Å²	14	14.4 Å²	14.4	14%	0.144	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	-114.2	-178	0	0	0	0	0	112.5	Y225 G282	Y225-G280 PolarHBondContact OH-O 2.69Å; Y225-G280 VanDerWaalsContact OH-O 3.06Å; G280-G282 VanDerWaalsContact C-N 3.3Å
281	D	80.1	Confident	92.9	Very high	56 Å²	56	14.1 Å²	14.1	30%	0.299	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.8	179.3	-71	-23	0	0	0	113.1	E279 H299	E279-D281 PolarHBondContact O-N 3.27Å; D281-H299 PolarHBondContact O-CE1 2.95Å; D281-H299 PolarHBondContact O-ND1 2.97Å
282	G	90.2	Very high	92.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.			trans	73.9	129.6	-176.1	0	0	0	0	0	111.8	A277 E279 G280 W298	A277-G282 WeakPolarHBondContact O-CA 3.24Å; E279-G282 PolarHBondContact O-N 3.1Å; E279-G282 VanDerWaalsContact O-N 3.11Å; G280-G282 VanDerWaalsContact C-N 3.3Å; G282-W298 WeakPolarHBondContact O-CB 3.45Å; G282-W298 PolarHBondContact O-N 3.18Å
283	Y	94.1	Very high	92.9	Very high	7 Å²	7	16.4 Å²	16.4	3%	0.027	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.6	-178.3	-61.2	-79.8	0	0	0	111.5	A277 W296 N338 P345	A277-Y283 PolarHBondContact N-O 3.46Å; A277-Y283 PolarHBondContact O-N 3.17Å; Y283-W296 CarbonylContact C-O 3.59Å; Y283-W296 WeakPolarHBondContact CA-O 3.39Å; Y283-N338 WeakPolarHBondContact CE2-OD1 3.49Å; Y283-P345 HydrophobicContact CD1-CB 4.39Å; Y283-P345 HydrophobicContact CD1-CG 4.04Å; Y283-P345 HydrophobicContact CD2-CB 4.05Å; Y283-P345 HydrophobicContact CD2-CG 4.49Å; Y283-P345 HydrophobicContact CE1-CB 4Å; Y283-P345 HydrophobicContact CE1-CG 3.86Å; Y283-P345 HydrophobicContact CE2-CB 3.6Å; Y283-P345 HydrophobicContact CE2-CG 4.3Å; Y283-P345 HydrophobicContact CG-CB 4.41Å; Y283-P345 HydrophobicContact CG-CG 4.35Å
284	I	96.4	Very high	92.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.6	165.6	-52.3	167.8	0	0	0	106.5	L243 V251 I253 I265 L274 F276 T286 W296 W298	L243-I284 HydrophobicContact CD1-CD1 4.45Å; L243-I284 HydrophobicContact CD1-CG1 3.96Å; L243-I284 HydrophobicContact CD1-CG2 4.14Å; L243-I284 HydrophobicContact CD2-CD1 4.04Å; L243-I284 HydrophobicContact CD2-CG1 4.45Å; V251-I284 HydrophobicContact CG1-CG2 4.43Å; I253-I284 HydrophobicContact CD1-CD1 4.24Å; I265-I284 HydrophobicContact CD1-CD1 3.89Å; L274-I284 HydrophobicContact CD1-CG2 3.51Å; F276-I284 HydrophobicContact CD2-CG1 4.34Å; I284-T286 HydrophobicContact CG2-CG2 4.15Å; I284-W296 HydrophobicContact CB-CB 4.21Å; I284-W296 PolarHBondContact N-O 3.35Å; I284-W296 PolarHBondContact O-N 3.16Å; I284-W298 HydrophobicContact CD1-CE3 3.78Å; I284-W298 HydrophobicContact CD1-CZ3 3.95Å; I284-W298 HydrophobicContact CG1-CE3 3.81Å; I284-W298 HydrophobicContact CG1-CZ3 4.21Å
285	I	97.3	Very high	92.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.6	177	-47	-53.1	0	0	0	108.6	L274 S275 A277 V293 Q294 A295 I317 V324 L346	L274-I285 WeakPolarHBondContact CA-O 3.24Å; S275-I285 PolarHBondContact N-O 2.91Å; S275-I285 PolarHBondContact O-N 2.86Å; A277-I285 HydrophobicContact CB-CG1 4.12Å; I285-V293 HydrophobicContact CG2-CG1 3.76Å; I285-Q294 WeakPolarHBondContact CA-O 3.4Å; I285-A295 HydrophobicContact CD1-CB 3.79Å; I285-I317 HydrophobicContact CB-CG2 4.22Å; I285-I317 HydrophobicContact CG2-CD1 4Å; I285-I317 HydrophobicContact CG2-CG2 4.02Å; I285-V324 HydrophobicContact CG1-CG1 4.37Å; I285-V324 HydrophobicContact CG1-CG2 4.38Å; I285-V324 HydrophobicContact CG2-CG1 4.21Å; I285-L346 HydrophobicContact CD1-CD1 4.19Å; I285-L346 HydrophobicContact CD1-CD2 4.12Å; I285-L346 HydrophobicContact CD1-CG 4.44Å; I285-L346 HydrophobicContact CG2-CD1 4.27Å
286	T	98	Very high	92.7	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.8	-179	60.3	0	0	0	0	110.6	V251 T267 V271 L274 I284 V293 Q294 W296	V251-T286 HydrophobicContact CG2-CG2 3.6Å; T267-T286 HydrophobicContact CG2-CG2 4.36Å; V271-T286 HydrophobicContact CG1-CG2 4.42Å; L274-T286 HydrophobicContact CD1-CG2 3.77Å; I284-T286 HydrophobicContact CG2-CG2 4.15Å; T286-V293 WeakPolarHBondContact O-CA 3.39Å; T286-Q294 PolarHBondContact N-O 3.14Å; T286-Q294 PolarHBondContact O-N 3.46Å; T286-Q294 WeakPolarHBondContact OG1-CB 3.35Å; T286-W296 PolarHBondContact OG1-NE1 2.63Å
287	G	97.4	Very high	92.6	Very high	2 Å²	2	17 Å²	17	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.1	170	0	0	0	0	0	110.2	T272 A273 K292	T272-G287 PolarHBondContact N-O 3Å; T272-G287 PolarHBondContact OG1-O 2.87Å; T272-G287 VanDerWaalsContact OG1-O 3.12Å; A273-G287 PolarHBondContact N-O 3Å; A273-G287 PolarHBondContact O-N 2.92Å; G287-K292 CarbonylContact C-O 3.6Å; G287-K292 WeakPolarHBondContact CA-O 3.48Å
288	S	96.7	Very high	92.6	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	163.5	178.2	77.4	0	0	0	0	113.6	A270 T272 G290 G291 K292 V314	A270-S288 VanDerWaalsContact O-CA 3.29Å; A270-S288 WeakPolarHBondContact O-CA 3.29Å; T272-S288 PolarHBondContact OG1-O 3.15Å; S288-G290 PolarHBondContact O-N 3.43Å; S288-G290 PolarHBondContact OG-N 3.23Å; S288-G291 PolarHBondContact O-N 2.88Å; S288-G291 PolarHBondContact OG-N 3.04Å; S288-K292 PolarHBondContact N-O 3.06Å; S288-K292 WeakPolarHBondContact OG-CB 3.43Å; S288-K292 PolarHBondContact OG-N 2.82Å; S288-V314 PolarHBondContact O-N 2.65Å
289	D	93.8	Very high	92.6	Very high	51 Å²	51	19.5 Å²	19.5	27%	0.273	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.8	165.8	61.4	-11.6	0	0	0	113.5	A270 T272 G291 A313 W537	A270-D289 HydrophobicContact CB-CB 4.42Å; A270-D289 PolarHBondContact O-N 2.83Å; T272-D289 HydrophobicContact CG2-CB 4.02Å; D289-G291 VanDerWaalsContact C-N 3.33Å; D289-G291 PolarHBondContact O-N 3.15Å; D289-A313 WeakPolarHBondContact O-CA 3.19Å; D289-A313 VanDerWaalsContact O-CB 3.28Å; D289-A313 WeakPolarHBondContact O-CB 3.49Å; D289-A313 PolarHBondContact O-N 2.96Å; D289-W537 HydrophobicContact CB-CH2 4.32Å; D289-W537 HydrophobicContact CB-CZ2 4.4Å; D289-W537 WeakPolarHBondContact OD2-CZ2 3.19Å
290	G	92.1	Very high	93.1	Very high	31 Å²	31	21.7 Å²	21.7	32%	0.32	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	24.7	175.8	0	0	0	0	0	115.1	S288 K292 K308	S288-G290 PolarHBondContact O-N 3.43Å; S288-G290 PolarHBondContact OG-N 3.23Å; G290-K292 VanDerWaalsContact C-N 3.28Å; G290-K292 PolarHBondContact O-N 3.41Å; G290-K308 WeakPolarHBondContact O-CD 3.21Å; G290-K308 PolarHBondContact O-NZ 3.08Å
291	G	94	Very high	93.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	70.1	13	174	0	0	0	0	0	116.8	S288 D289 A309 H310 E312	S288-G291 PolarHBondContact O-N 2.88Å; S288-G291 PolarHBondContact OG-N 3.04Å; D289-G291 VanDerWaalsContact C-N 3.33Å; D289-G291 PolarHBondContact O-N 3.15Å; G291-A309 PolarHBondContact O-N 3.37Å; G291-H310 WeakPolarHBondContact CA-O 3.26Å; G291-H310 PolarHBondContact O-N 2.9Å; G291-H310 VanDerWaalsContact O-N 3.15Å; G291-E312 WeakPolarHBondContact CA-O 3.25Å; G291-E312 PolarHBondContact N-O 2.85Å
292	K	96.6	Very high	94.5	Very high	78 Å²	78	26.3 Å²	26.3	34%	0.339	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.8	175.9	-63.5	-179.6	179.6	174.5	0	110.4	G287 S288 G290 V307 K308	G287-K292 CarbonylContact C-O 3.6Å; G287-K292 WeakPolarHBondContact CA-O 3.48Å; S288-K292 PolarHBondContact N-O 3.06Å; S288-K292 WeakPolarHBondContact OG-CB 3.43Å; S288-K292 PolarHBondContact OG-N 2.82Å; G290-K292 VanDerWaalsContact C-N 3.28Å; G290-K292 PolarHBondContact O-N 3.41Å; K292-V307 CarbonylContact C-O 3.58Å; K292-V307 VanDerWaalsContact CA-O 3.31Å; K292-V307 WeakPolarHBondContact CA-O 3.5Å; K292-K308 HydrophobicContact CG-CD 4.29Å
293	V	97.5	Very high	94.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.5	166.5	175.9	0	0	0	0	107.6	I285 T286 V307 A309 V314 L346	I285-V293 HydrophobicContact CG2-CG1 3.76Å; T286-V293 WeakPolarHBondContact O-CA 3.39Å; V293-V307 PolarHBondContact N-O 3.38Å; V293-V307 PolarHBondContact O-N 2.76Å; V293-A309 HydrophobicContact CB-CB 4.09Å; V293-A309 HydrophobicContact CG2-CB 3.65Å; V293-V314 HydrophobicContact CG2-CG1 4.39Å; V293-V314 HydrophobicContact CG2-CG2 4.05Å; V293-L346 HydrophobicContact CG1-CD1 3.84Å
294	Q	96.2	Very high	94.7	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.065	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.5	-178.5	-54.4	178.1	-62.7	0	0	110.4	T267 I285 T286 Q305	T267-Q294 PolarHBondContact O-OE1 3.45Å; I285-Q294 WeakPolarHBondContact CA-O 3.4Å; T286-Q294 PolarHBondContact N-O 3.14Å; T286-Q294 PolarHBondContact O-N 3.46Å; T286-Q294 WeakPolarHBondContact OG1-CB 3.35Å; Q294-Q305 VanDerWaalsContact CA-O 3.29Å; Q294-Q305 WeakPolarHBondContact CA-O 3.35Å
295	A	95.6	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.2	175.3	0	0	0	0	0	109.9	I285 C304 Q305 P345 L346	I285-A295 HydrophobicContact CD1-CB 3.79Å; A295-C304 PolarHBondContact O-N 3.36Å; A295-Q305 HydrophobicContact CB-CB 4.33Å; A295-Q305 PolarHBondContact N-O 3.44Å; A295-Q305 PolarHBondContact O-N 2.99Å; A295-P345 HydrophobicContact CB-CG 3.6Å; A295-L346 HydrophobicContact CB-CD1 4.09Å; A295-L346 HydrophobicContact CB-CG 4.17Å
296	W	95.4	Very high	94.4	Very high	15 Å²	15	34.9 Å²	34.9	6%	0.057	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.7	179.9	-52.1	77.6	0	0	0	109.7	I265 Y266 T267 Y283 I284 T286 W298 Q302 N303	I265-W296 HydrophobicContact CG2-CD2 4Å; I265-W296 HydrophobicContact CG2-CE3 3.46Å; I265-W296 VanDerWaalsContact CG2-CE3 3.46Å; I265-W296 HydrophobicContact CG2-CH2 4.05Å; I265-W296 HydrophobicContact CG2-CZ3 3.47Å; I265-W296 VanDerWaalsContact CG2-CZ3 3.47Å; Y266-W296 WeakPolarHBondContact O-CH2 3.49Å; T267-W296 HydrophobicContact CG2-CH2 4.37Å; T267-W296 HydrophobicContact CG2-CZ2 3.66Å; Y283-W296 CarbonylContact C-O 3.59Å; Y283-W296 WeakPolarHBondContact CA-O 3.39Å; I284-W296 HydrophobicContact CB-CB 4.21Å; I284-W296 PolarHBondContact N-O 3.35Å; I284-W296 PolarHBondContact O-N 3.16Å; T286-W296 PolarHBondContact OG1-NE1 2.63Å; W296-W298 PolarHBondContact O-N 3.22Å; W296-Q302 WeakPolarHBondContact CA-O 3.31Å; W296-N303 HydrophobicContact CD2-CB 4.13Å; W296-N303 HydrophobicContact CE3-CB 3.72Å; W296-N303 VanDerWaalsContact CE3-N 3.32Å; W296-N303 HydrophobicContact CH2-CB 3.86Å; W296-N303 HydrophobicContact CZ2-CB 4.25Å; W296-N303 HydrophobicContact CZ3-CB 3.59Å
297	S	93.2	Very high	94.3	Very high	11 Å²	11	36.7 Å²	36.7	8%	0.077	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	132.2	177.6	176.1	0	0	0	0	110.9	H299 T300 F301 Q302	S297-H299 PolarHBondContact O-N 3.35Å; S297-H299 PolarHBondContact OG-N 3.32Å; S297-T300 VanDerWaalsContact CB-OG1 3.28Å; S297-T300 WeakPolarHBondContact CB-OG1 3.49Å; S297-T300 PolarHBondContact OG-N 3.39Å; S297-T300 PolarHBondContact OG-OG1 3.47Å; S297-F301 WeakPolarHBondContact O-CA 3.48Å; S297-F301 PolarHBondContact O-N 2.91Å; S297-Q302 PolarHBondContact N-O 3.36Å
298	W	93.1	Very high	94.2	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.011	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.5	174.8	-177.6	-117.1	0	0	0	113.7	P221 Y225 L229 F241 L243 I253 F276 G282 I284 W296 F301	P221-W298 HydrophobicContact CB-CZ2 4.4Å; P221-W298 HydrophobicContact CG-CH2 3.82Å; P221-W298 HydrophobicContact CG-CZ2 4.14Å; P221-W298 HydrophobicContact CG-CZ3 4.27Å; Y225-W298 AromaticContact CD1-CD1 3.82Å; Y225-W298 PolarHBondContact O-NE1 2.9Å; L229-W298 HydrophobicContact CB-CZ2 4.01Å; L229-W298 HydrophobicContact CD2-CH2 3.59Å; L229-W298 HydrophobicContact CD2-CZ2 3.26Å; L229-W298 HydrophobicContact CD2-CZ3 4.46Å; L229-W298 HydrophobicContact CG-CZ2 4.23Å; F241-W298 HydrophobicContact CB-CH2 4.29Å; L243-W298 HydrophobicContact CD1-CZ3 4.35Å; L243-W298 HydrophobicContact CD2-CH2 4.09Å; L243-W298 HydrophobicContact CD2-CZ3 3.54Å; L243-W298 HydrophobicContact CG-CZ3 4.35Å; I253-W298 HydrophobicContact CD1-CE3 4.46Å; I253-W298 HydrophobicContact CD1-CH2 4.28Å; I253-W298 HydrophobicContact CD1-CZ3 3.72Å; I253-W298 HydrophobicContact CG2-CH2 3.93Å; I253-W298 HydrophobicContact CG2-CZ3 4.33Å; F276-W298 HydrophobicContact CD2-CE3 4.29Å; F276-W298 HydrophobicContact CE2-CB 3.99Å; F276-W298 AromaticContact CE2-CD2 3.58Å; F276-W298 HydrophobicContact CE2-CD2 3.58Å; F276-W298 AromaticContact CE2-CE3 3.66Å; F276-W298 HydrophobicContact CE2-CE3 3.66Å; F276-W298 AromaticContact CE2-CG 3.74Å; F276-W298 HydrophobicContact CE2-CG 3.74Å; F276-W298 HydrophobicContact CE2-CZ3 4.35Å; F276-W298 HydrophobicContact CZ-CB 4.31Å; F276-W298 HydrophobicContact CZ-CD2 4.16Å; F276-W298 AromaticContact CZ-CG 3.99Å; F276-W298 HydrophobicContact CZ-CG 3.99Å; G282-W298 WeakPolarHBondContact O-CB 3.45Å; G282-W298 PolarHBondContact O-N 3.18Å; I284-W298 HydrophobicContact CD1-CE3 3.78Å; I284-W298 HydrophobicContact CD1-CZ3 3.95Å; I284-W298 HydrophobicContact CG1-CE3 3.81Å; I284-W298 HydrophobicContact CG1-CZ3 4.21Å; W296-W298 PolarHBondContact O-N 3.22Å; W298-F301 HydrophobicContact CE3-CE1 4.12Å; W298-F301 HydrophobicContact CZ3-CE1 4.32Å; W298-F301 WeakPolarHBondContact O-CE1 3.36Å; W298-F301 WeakPolarHBondContact O-CZ 3.36Å
299	H	88.6	Confident	94.1	Very high	89 Å²	89	41.9 Å²	41.9	41%	0.412	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-45.3	-176.5	-63.7	95.5	0	0	0	112.2	D281 S297	D281-H299 PolarHBondContact O-CE1 2.95Å; D281-H299 PolarHBondContact O-ND1 2.97Å; S297-H299 PolarHBondContact O-N 3.35Å; S297-H299 PolarHBondContact OG-N 3.32Å
300	T	91.2	Very high	94.1	Very high	77 Å²	77	39.6 Å²	39.6	47%	0.472	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-17.7	-175.5	67	0	0	0	0	113.1	S297 Q302	S297-T300 VanDerWaalsContact CB-OG1 3.28Å; S297-T300 WeakPolarHBondContact CB-OG1 3.49Å; S297-T300 PolarHBondContact OG-N 3.39Å; S297-T300 PolarHBondContact OG-OG1 3.47Å; T300-Q302 PolarHBondContact O-N 2.87Å; T300-Q302 PolarHBondContact OG1-N 2.84Å
301	F	94.2	Very high	94.1	Very high	34 Å²	34	45.1 Å²	45.1	15%	0.149	23%	0.232	C	C	.	.			trans	58	22.8	-172.3	-50.1	-64.7	0	0	0	113.9	L229 I253 K263 I265 S297 W298	L229-F301 HydrophobicContact CD1-CE2 4.36Å; L229-F301 HydrophobicContact CD1-CZ 3.74Å; L229-F301 HydrophobicContact CD2-CZ 4.2Å; I253-F301 HydrophobicContact CD1-CD1 3.63Å; I253-F301 HydrophobicContact CD1-CE1 3.19Å; I253-F301 HydrophobicContact CD1-CZ 3.94Å; K263-F301 HydrophobicContact CD-CD2 3.94Å; K263-F301 HydrophobicContact CD-CE2 4.31Å; K263-F301 HydrophobicContact CD-CG 4.37Å; K263-F301 HydrophobicContact CG-CB 4.48Å; K263-F301 HydrophobicContact CG-CD1 4.41Å; K263-F301 HydrophobicContact CG-CD2 4.01Å; K263-F301 HydrophobicContact CG-CE2 4.32Å; K263-F301 HydrophobicContact CG-CG 4.03Å; I265-F301 HydrophobicContact CD1-CB 3.86Å; I265-F301 HydrophobicContact CD1-CD1 3.87Å; I265-F301 HydrophobicContact CD1-CG 4.25Å; I265-F301 HydrophobicContact CG1-CB 4.16Å; S297-F301 WeakPolarHBondContact O-CA 3.48Å; S297-F301 PolarHBondContact O-N 2.91Å; W298-F301 HydrophobicContact CE3-CE1 4.12Å; W298-F301 HydrophobicContact CZ3-CE1 4.32Å; W298-F301 WeakPolarHBondContact O-CE1 3.36Å; W298-F301 WeakPolarHBondContact O-CZ 3.36Å
302	Q	93.7	Very high	94	Very high	134 Å²	134	48.8 Å²	48.8	63%	0.626	25%	0.249	S	C	*	.			trans	-94.5	151	175.4	-65.8	179.5	-12.4	0	0	110.4	W296 S297 T300 C304	W296-Q302 WeakPolarHBondContact CA-O 3.31Å; S297-Q302 PolarHBondContact N-O 3.36Å; T300-Q302 PolarHBondContact O-N 2.87Å; T300-Q302 PolarHBondContact OG1-N 2.84Å; Q302-C304 PolarHBondContact O-N 3.19Å
303	N	94.3	Very high	93.8	Very high	63 Å²	63	46.2 Å²	46.2	34%	0.337	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120.8	171.9	-173.8	-102.9	0	0	0	109.1	W296 Q305	W296-N303 HydrophobicContact CD2-CB 4.13Å; W296-N303 HydrophobicContact CE3-CB 3.72Å; W296-N303 VanDerWaalsContact CE3-N 3.32Å; W296-N303 HydrophobicContact CH2-CB 3.86Å; W296-N303 HydrophobicContact CZ2-CB 4.25Å; W296-N303 HydrophobicContact CZ3-CB 3.59Å; N303-Q305 PolarHBondContact ND2-O 2.76Å; N303-Q305 PolarHBondContact OD1-O 2.79Å
304	C	93	Very high	93.8	Very high	45 Å²	45	46.2 Å²	46.2	30%	0.304	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-37.6	174.8	-59.1	0	0	0	0	110.9	A295 Q302 R343 P345	A295-C304 PolarHBondContact O-N 3.36Å; Q302-C304 PolarHBondContact O-N 3.19Å; C304-R343 WeakPolarHBondContact CB-O 3.47Å; C304-P345 HydrophobicContact CB-CG 4.31Å
305	Q	93.4	Very high	93.7	Very high	20 Å²	20	46.4 Å²	46.4	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.3	-174.3	-165	-176	8.2	0	0	110.8	Q294 A295 N303 V307 E344 L346	Q294-Q305 VanDerWaalsContact CA-O 3.29Å; Q294-Q305 WeakPolarHBondContact CA-O 3.35Å; A295-Q305 HydrophobicContact CB-CB 4.33Å; A295-Q305 PolarHBondContact N-O 3.44Å; A295-Q305 PolarHBondContact O-N 2.99Å; N303-Q305 PolarHBondContact ND2-O 2.76Å; N303-Q305 PolarHBondContact OD1-O 2.79Å; Q305-V307 HydrophobicContact CG-CG2 3.84Å; Q305-E344 HydrophobicContact CG-CB 4.22Å; Q305-E344 HydrophobicContact CG-CG 4.17Å; Q305-L346 PolarHBondContact NE2-O 2.9Å; Q305-L346 VanDerWaalsContact OE1-CB 3.31Å; Q305-L346 PolarHBondContact OE1-O 2.86Å
306	S	95.1	Very high	93.6	Very high	59 Å²	59	47 Å²	47	41%	0.413	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	112	175	175	0	0	0	0	109.1
307	V	95.7	Very high	93.7	Very high	40 Å²	40	46.5 Å²	46.5	24%	0.242	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	-177.3	-173.7	0	0	0	0	109.2	K292 V293 Q305 A309 W336	K292-V307 CarbonylContact C-O 3.58Å; K292-V307 VanDerWaalsContact CA-O 3.31Å; K292-V307 WeakPolarHBondContact CA-O 3.5Å; V293-V307 PolarHBondContact N-O 3.38Å; V293-V307 PolarHBondContact O-N 2.76Å; Q305-V307 HydrophobicContact CG-CG2 3.84Å; V307-A309 PolarHBondContact O-N 2.94Å; V307-W336 HydrophobicContact CB-CH2 4.44Å; V307-W336 HydrophobicContact CG1-CH2 3.96Å; V307-W336 HydrophobicContact CG1-CZ3 4.27Å
308	K	95.3	Very high	93.8	Very high	99 Å²	99	49.9 Å²	49.9	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	101.5	164.7	178.1	67.7	174.6	164.9	0	106.5	G290 K292 H310 E311	G290-K308 WeakPolarHBondContact O-CD 3.21Å; G290-K308 PolarHBondContact O-NZ 3.08Å; K292-K308 HydrophobicContact CG-CD 4.29Å; K308-H310 WeakPolarHBondContact CD-O 3.42Å; K308-H310 WeakPolarHBondContact CE-O 3.32Å; K308-H310 PolarHBondContact NZ-O 2.84Å; K308-E311 PolarHBondContact NZ-O 3.05Å
309	A	93.6	Very high	93.8	Very high	16 Å²	16	51.3 Å²	51.3	13%	0.132	27%	0.272	C	S	.	.			trans	-97.5	-28.3	-169.3	0	0	0	0	0	113.1	G291 V293 V307 W336	G291-A309 PolarHBondContact O-N 3.37Å; V293-A309 HydrophobicContact CB-CB 4.09Å; V293-A309 HydrophobicContact CG2-CB 3.65Å; V307-A309 PolarHBondContact O-N 2.94Å; A309-W336 HydrophobicContact CB-CH2 3.84Å; A309-W336 HydrophobicContact CB-CZ2 3.48Å; A309-W336 VanDerWaalsContact CB-CZ2 3.48Å
310	H	93.9	Very high	93.9	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.014	27%	0.268	C	S	.	.			trans	-140.5	155.7	-175.1	-59	-83.9	0	0	0	108.9	G291 K308 S326 S328 E330 S334	G291-H310 WeakPolarHBondContact CA-O 3.26Å; G291-H310 PolarHBondContact O-N 2.9Å; G291-H310 VanDerWaalsContact O-N 3.15Å; K308-H310 WeakPolarHBondContact CD-O 3.42Å; K308-H310 WeakPolarHBondContact CE-O 3.32Å; K308-H310 PolarHBondContact NZ-O 2.84Å; H310-S326 PolarHBondContact NE2-OG 3.32Å; H310-S328 VanDerWaalsContact CG-CB 3.46Å; H310-S328 WeakPolarHBondContact ND1-CB 3.43Å; H310-E330 IonicContact ND1-OE1 2.78Å; H310-S334 PolarHBondContact CE1-OG 2.81Å
311	E	92	Very high	93.7	Very high	147 Å²	147	48.2 Å²	48.2	69%	0.687	26%	0.26	S	S	*	.	S	Bend	trans	-75.9	-40.1	178.3	-65.5	-55.7	144.4	0	0	111.4	K308 E330	K308-E311 PolarHBondContact NZ-O 3.05Å; E311-E330 WeakPolarHBondContact CA-OE2 3.43Å; E311-E330 WeakPolarHBondContact CB-OE2 3.24Å; E311-E330 PolarHBondContact N-OE2 3.01Å
312	E	92.2	Very high	93.5	Very high	77 Å²	77	49.4 Å²	49.4	36%	0.36	27%	0.271	S	S	.	.	S	Bend	trans	-102.8	-178.4	178.8	-62.8	-74.4	-177.7	0	0	113.1	G291 V314 S328 A329 E330 R361	G291-E312 WeakPolarHBondContact CA-O 3.25Å; G291-E312 PolarHBondContact N-O 2.85Å; E312-V314 PolarHBondContact O-N 3.06Å; E312-S328 PolarHBondContact O-OG 3.33Å; E312-A329 HydrophobicContact CB-CB 4.35Å; E312-E330 HydrophobicContact CB-CB 4.07Å; E312-E330 HydrophobicContact CG-CB 3.96Å; E312-E330 PolarHBondContact N-OE2 2.83Å; E312-R361 IonicContact OE1-CZ 3.36Å; E312-R361 IonicContact OE1-NH1 3.34Å; E312-R361 PolarHBondContact OE1-NH1 3.44Å; E312-R361 IonicContact OE1-NH2 3.27Å
313	A	93.6	Very high	93.5	Very high	24 Å²	24	44.2 Å²	44.2	20%	0.198	25%	0.248	C	C	.	.			trans	-55.5	134	-177.8	0	0	0	0	0	113.9	D289 T315 S328 A329	D289-A313 WeakPolarHBondContact O-CA 3.19Å; D289-A313 VanDerWaalsContact O-CB 3.28Å; D289-A313 WeakPolarHBondContact O-CB 3.49Å; D289-A313 PolarHBondContact O-N 2.96Å; A313-T315 PolarHBondContact O-N 3.15Å; A313-S328 CarbonylContact O-C 3.28Å; A313-S328 VanDerWaalsContact O-CA 3.31Å; A313-S328 WeakPolarHBondContact O-CA 3.31Å; A313-S328 PolarHBondContact O-OG 2.76Å; A313-A329 HydrophobicContact CB-CB 4.49Å; A313-A329 PolarHBondContact O-N 2.8Å
314	V	96.4	Very high	93.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	106.2	171.7	-171.9	0	0	0	0	108.8	T272 A273 S288 V293 E312 I317 G327	T272-V314 VanDerWaalsContact CB-O 3.3Å; T272-V314 WeakPolarHBondContact CB-O 3.48Å; T272-V314 PolarHBondContact OG1-O 3.21Å; A273-V314 HydrophobicContact CB-CG1 4.34Å; S288-V314 PolarHBondContact O-N 2.65Å; V293-V314 HydrophobicContact CG2-CG1 4.39Å; V293-V314 HydrophobicContact CG2-CG2 4.05Å; E312-V314 PolarHBondContact O-N 3.06Å; V314-I317 HydrophobicContact CG1-CD1 4.03Å; V314-I317 HydrophobicContact CG1-CG1 3.8Å; V314-G327 CarbonylContact C-O 3.59Å; V314-G327 WeakPolarHBondContact CA-O 3.44Å
315	T	94.3	Very high	93.8	Very high	19 Å²	19	39.1 Å²	39.1	12%	0.117	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-21.5	-172.4	54.8	0	0	0	0	113.6	A313 G327 A329 R366 L367	A313-T315 PolarHBondContact O-N 3.15Å; T315-G327 PolarHBondContact N-O 2.73Å; T315-G327 PolarHBondContact OG1-O 2.69Å; T315-A329 HydrophobicContact CG2-CB 3.79Å; T315-R366 HydrophobicContact CG2-CG 4.38Å; T315-L367 WeakPolarHBondContact OG1-CB 3.42Å; T315-L367 PolarHBondContact OG1-N 2.83Å; T315-L367 VanDerWaalsContact OG1-N 3.15Å; T315-L367 PolarHBondContact OG1-O 2.8Å
316	S	94.1	Very high	93.9	Very high	12 Å²	12	38.2 Å²	38.2	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.4	178.2	55.3	0	0	0	0	112.5	S326 G327 L367 L369	S316-S326 WeakPolarHBondContact O-CA 3.5Å; S316-G327 PolarHBondContact N-O 2.79Å; S316-G327 PolarHBondContact O-N 2.97Å; S316-L367 WeakPolarHBondContact CB-O 3.39Å; S316-L367 PolarHBondContact OG-O 2.96Å; S316-L369 VanDerWaalsContact OG-CG 3.31Å; S316-L369 WeakPolarHBondContact OG-CG 3.36Å
317	I	96.9	Very high	93.9	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.1	172	-62.3	179.2	0	0	0	107.3	A273 I285 V314 V324 F325	A273-I317 HydrophobicContact CB-CB 4.24Å; A273-I317 HydrophobicContact CB-CD1 4.12Å; A273-I317 HydrophobicContact CB-CG1 3.75Å; I285-I317 HydrophobicContact CB-CG2 4.22Å; I285-I317 HydrophobicContact CG2-CD1 4Å; I285-I317 HydrophobicContact CG2-CG2 4.02Å; V314-I317 HydrophobicContact CG1-CD1 4.03Å; V314-I317 HydrophobicContact CG1-CG1 3.8Å; I317-V324 HydrophobicContact CG2-CG1 3.84Å; I317-F325 CarbonylContact C-O 3.5Å; I317-F325 VanDerWaalsContact CA-O 3.24Å; I317-F325 WeakPolarHBondContact CA-O 3.38Å
318	Q	95.1	Very high	93.8	Very high	83 Å²	83	33.5 Å²	33.5	39%	0.388	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.7	175.6	-68.4	-63.4	-42.2	0	0	109.3	V324 F325 L369 P371	Q318-V324 WeakPolarHBondContact O-CA 3.2Å; Q318-F325 PolarHBondContact N-O 2.84Å; Q318-F325 PolarHBondContact O-N 3.33Å; Q318-L369 HydrophobicContact CG-CB 4.35Å; Q318-L369 WeakPolarHBondContact CG-O 3.41Å; Q318-P371 HydrophobicContact CB-CG 3.68Å
319	S	93.4	Very high	93.6	Very high	32 Å²	32	30 Å²	30	22%	0.224	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.7	177.8	51.1	0	0	0	0	110.8	S275 F276 L323	S275-S319 PolarHBondContact OG-OG 3.1Å; F276-S319 PolarHBondContact O-OG 3.06Å; S319-L323 CarbonylContact C-O 3.58Å; S319-L323 WeakPolarHBondContact CA-O 3.37Å
320	Q	90.9	Very high	93.4	Very high	72 Å²	72	30.4 Å²	30.4	34%	0.336	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	98.3	176.2	-170.6	-177.9	1.6	0	0	109.4	L323 F325 P371 R372 G373	Q320-L323 PolarHBondContact N-O 2.88Å; Q320-L323 PolarHBondContact O-N 2.92Å; Q320-L323 VanDerWaalsContact O-N 3.1Å; Q320-F325 HydrophobicContact CB-CE2 4.29Å; Q320-P371 PolarHBondContact OE1-O 2.88Å; Q320-R372 VanDerWaalsContact OE1-CA 3.24Å; Q320-G373 VanDerWaalsContact NE2-N 3.1Å
321	G	87.5	Confident	93.1	Very high	30 Å²	30	30.3 Å²	30.3	31%	0.309	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-125.9	-174.1	0	0	0	0	0	111.1	E279 L323	E279-G321 VanDerWaalsContact CG-C 3.49Å; E279-G321 VanDerWaalsContact CG-O 3.24Å; E279-G321 WeakPolarHBondContact CG-O 3.5Å; G321-L323 PolarHBondContact O-N 3.44Å
322	P	89.9	Confident	93.1	Very high	59 Å²	59	23.3 Å²	23.3	38%	0.383	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.6	178.5	32.3	-35.6	0	0	0	114	N338	P322-N338 WeakPolarHBondContact O-CB 3.25Å; P322-N338 PolarHBondContact O-N 2.88Å
323	L	94.1	Very high	93.3	Very high	25 Å²	25	19.6 Å²	19.6	13%	0.131	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139	-175.8	-59.9	178.4	0	0	0	111.6	S319 Q320 G321 F325 V335 W336 L349 W390	S319-L323 CarbonylContact C-O 3.58Å; S319-L323 WeakPolarHBondContact CA-O 3.37Å; Q320-L323 PolarHBondContact N-O 2.88Å; Q320-L323 PolarHBondContact O-N 2.92Å; Q320-L323 VanDerWaalsContact O-N 3.1Å; G321-L323 PolarHBondContact O-N 3.44Å; L323-F325 HydrophobicContact CB-CD2 4.49Å; L323-F325 HydrophobicContact CB-CE2 3.66Å; L323-F325 HydrophobicContact CB-CZ 3.97Å; L323-F325 HydrophobicContact CD1-CE2 4.48Å; L323-F325 HydrophobicContact CD1-CZ 4.03Å; L323-V335 HydrophobicContact CD2-CG1 4.46Å; L323-W336 CarbonylContact C-O 3.59Å; L323-W336 VanDerWaalsContact CA-O 3.32Å; L323-W336 WeakPolarHBondContact CA-O 3.18Å; L323-L349 HydrophobicContact CD2-CD1 3.71Å; L323-W390 HydrophobicContact CD1-CH2 4.1Å; L323-W390 HydrophobicContact CD1-CZ2 3.54Å
324	V	95.4	Very high	93.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.6	169.3	-179.9	0	0	0	0	108	A277 I285 I317 Q318 W336 L346	A277-V324 HydrophobicContact CB-CG2 4.01Å; I285-V324 HydrophobicContact CG1-CG1 4.37Å; I285-V324 HydrophobicContact CG1-CG2 4.38Å; I285-V324 HydrophobicContact CG2-CG1 4.21Å; I317-V324 HydrophobicContact CG2-CG1 3.84Å; Q318-V324 WeakPolarHBondContact O-CA 3.2Å; V324-W336 HydrophobicContact CB-CB 4.23Å; V324-W336 PolarHBondContact N-O 3.36Å; V324-W336 VanDerWaalsContact O-CD1 3.3Å; V324-W336 PolarHBondContact O-N 2.72Å; V324-L346 HydrophobicContact CB-CD2 4.4Å; V324-L346 HydrophobicContact CG2-CD2 4.12Å
325	F	96.4	Very high	93.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.8	179	-60.1	-95.4	0	0	0	108.1	I317 Q318 Q320 L323 V335 L369 P371 V376 W390	I317-F325 CarbonylContact C-O 3.5Å; I317-F325 VanDerWaalsContact CA-O 3.24Å; I317-F325 WeakPolarHBondContact CA-O 3.38Å; Q318-F325 PolarHBondContact N-O 2.84Å; Q318-F325 PolarHBondContact O-N 3.33Å; Q320-F325 HydrophobicContact CB-CE2 4.29Å; L323-F325 HydrophobicContact CB-CD2 4.49Å; L323-F325 HydrophobicContact CB-CE2 3.66Å; L323-F325 HydrophobicContact CB-CZ 3.97Å; L323-F325 HydrophobicContact CD1-CE2 4.48Å; L323-F325 HydrophobicContact CD1-CZ 4.03Å; F325-V335 HydrophobicContact CD1-CB 4.36Å; F325-V335 HydrophobicContact CD1-CG1 4.06Å; F325-V335 HydrophobicContact CD1-CG2 3.72Å; F325-V335 HydrophobicContact CE1-CB 4.31Å; F325-V335 HydrophobicContact CE1-CG1 3.67Å; F325-V335 HydrophobicContact CE1-CG2 3.74Å; F325-V335 HydrophobicContact CZ-CG1 4.16Å; F325-L369 HydrophobicContact CB-CD1 4.05Å; F325-P371 HydrophobicContact CD1-CB 4.35Å; F325-P371 HydrophobicContact CD2-CB 3.54Å; F325-P371 HydrophobicContact CD2-CG 3.63Å; F325-P371 HydrophobicContact CE1-CB 4.34Å; F325-P371 HydrophobicContact CE2-CB 3.52Å; F325-P371 HydrophobicContact CE2-CG 3.99Å; F325-P371 HydrophobicContact CG-CB 3.98Å; F325-P371 HydrophobicContact CG-CG 4.21Å; F325-P371 HydrophobicContact CZ-CB 3.94Å; F325-V376 HydrophobicContact CD1-CG2 3.63Å; F325-V376 HydrophobicContact CE1-CG2 3.46Å; F325-V376 VanDerWaalsContact CE1-CG2 3.46Å; F325-V376 HydrophobicContact CZ-CG2 4.32Å; F325-W390 AromaticContact CE1-CD1 3.87Å; F325-W390 HydrophobicContact CE1-CG 4.09Å
326	S	96.7	Very high	93.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.3	175.4	60.5	0	0	0	0	109.8	H310 S316 V333 S334 W336	H310-S326 PolarHBondContact NE2-OG 3.32Å; S316-S326 WeakPolarHBondContact O-CA 3.5Å; S326-V333 WeakPolarHBondContact O-CA 3.43Å; S326-S334 PolarHBondContact N-O 3.41Å; S326-S334 PolarHBondContact O-N 2.93Å; S326-S334 WeakPolarHBondContact OG-CB 3.24Å; S326-S334 PolarHBondContact OG-O 2.88Å; S326-W336 PolarHBondContact OG-NE1 3.35Å
327	G	94.7	Very high	93.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.7	177	0	0	0	0	0	110.9	V314 T315 S316 G332 L369	V314-G327 CarbonylContact C-O 3.59Å; V314-G327 WeakPolarHBondContact CA-O 3.44Å; T315-G327 PolarHBondContact N-O 2.73Å; T315-G327 PolarHBondContact OG1-O 2.69Å; S316-G327 PolarHBondContact N-O 2.79Å; S316-G327 PolarHBondContact O-N 2.97Å; G327-G332 WeakPolarHBondContact CA-O 3.45Å; G327-L369 VanDerWaalsContact N-CD1 3.34Å
328	S	94.1	Very high	93	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	155.4	179.3	173	0	0	0	0	112.4	H310 E312 A313 E330 G331 G332 L367	H310-S328 VanDerWaalsContact CG-CB 3.46Å; H310-S328 WeakPolarHBondContact ND1-CB 3.43Å; E312-S328 PolarHBondContact O-OG 3.33Å; A313-S328 CarbonylContact O-C 3.28Å; A313-S328 VanDerWaalsContact O-CA 3.31Å; A313-S328 WeakPolarHBondContact O-CA 3.31Å; A313-S328 PolarHBondContact O-OG 2.76Å; S328-E330 PolarHBondContact O-N 3.39Å; S328-E330 WeakPolarHBondContact OG-CG 3.32Å; S328-E330 PolarHBondContact OG-N 3.31Å; S328-E330 PolarHBondContact OG-OE2 2.9Å; S328-G331 PolarHBondContact O-N 2.95Å; S328-G332 PolarHBondContact N-O 3.19Å; S328-L367 WeakPolarHBondContact O-CB 3.38Å
329	A	91.1	Very high	92.4	Very high	27 Å²	27	21 Å²	21	22%	0.223	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.9	169.8	0	0	0	0	0	112.7	E312 A313 T315 G331 Y380	E312-A329 HydrophobicContact CB-CB 4.35Å; A313-A329 HydrophobicContact CB-CB 4.49Å; A313-A329 PolarHBondContact O-N 2.8Å; T315-A329 HydrophobicContact CG2-CB 3.79Å; A329-G331 PolarHBondContact O-N 2.71Å; A329-Y380 WeakPolarHBondContact O-CE2 3.45Å; A329-Y380 PolarHBondContact O-OH 2.71Å
330	E	89	Confident	91.3	Very high	24 Å²	24	25.9 Å²	25.9	11%	0.112	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.1	174.2	77.5	-155.6	-161.5	0	0	113.7	H310 E311 E312 S328 N354	H310-E330 IonicContact ND1-OE1 2.78Å; E311-E330 WeakPolarHBondContact CA-OE2 3.43Å; E311-E330 WeakPolarHBondContact CB-OE2 3.24Å; E311-E330 PolarHBondContact N-OE2 3.01Å; E312-E330 HydrophobicContact CB-CB 4.07Å; E312-E330 HydrophobicContact CG-CB 3.96Å; E312-E330 PolarHBondContact N-OE2 2.83Å; S328-E330 PolarHBondContact O-N 3.39Å; S328-E330 WeakPolarHBondContact OG-CG 3.32Å; S328-E330 PolarHBondContact OG-N 3.31Å; S328-E330 PolarHBondContact OG-OE2 2.9Å; E330-N354 WeakPolarHBondContact O-CB 3.31Å
331	G	88.1	Confident	90	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	92.7	-3.3	-174.1	0	0	0	0	0	114.2	S328 A329 T357	S328-G331 PolarHBondContact O-N 2.95Å; A329-G331 PolarHBondContact O-N 2.71Å; G331-T357 WeakPolarHBondContact O-CB 3.28Å; G331-T357 WeakPolarHBondContact O-CG2 3.47Å; G331-T357 PolarHBondContact O-OG1 2.9Å
332	G	92	Very high	89	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.151	C	C	.	.			trans	-73.5	142.7	178.3	0	0	0	0	0	113.5	G327 S328 W352	G327-G332 WeakPolarHBondContact CA-O 3.45Å; S328-G332 PolarHBondContact N-O 3.19Å; G332-W352 CarbonylContact C-O 3.57Å; G332-W352 VanDerWaalsContact CA-O 3.25Å; G332-W352 WeakPolarHBondContact CA-O 3.39Å
333	V	95.4	Very high	88.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.9	176.3	-179.1	0	0	0	0	109.7	S326 W352 T357 L367 L369 L378 L388	S326-V333 WeakPolarHBondContact O-CA 3.43Å; V333-W352 PolarHBondContact N-O 2.84Å; V333-W352 PolarHBondContact O-N 2.88Å; V333-T357 HydrophobicContact CG2-CG2 4.15Å; V333-L367 HydrophobicContact CG2-CD2 3.98Å; V333-L369 HydrophobicContact CG2-CD2 4.11Å; V333-L378 HydrophobicContact CG2-CD1 4.36Å; V333-L378 HydrophobicContact CG2-CD2 3.94Å; V333-L388 HydrophobicContact CB-CD2 4.2Å; V333-L388 HydrophobicContact CG1-CD2 4.2Å
334	S	96	Very high	87.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.4	174.8	-54.5	0	0	0	0	110.6	H310 S326 H350 H351	H310-S334 PolarHBondContact CE1-OG 2.81Å; S326-S334 PolarHBondContact N-O 3.41Å; S326-S334 PolarHBondContact O-N 2.93Å; S326-S334 WeakPolarHBondContact OG-CB 3.24Å; S326-S334 PolarHBondContact OG-O 2.88Å; S334-H350 CarbonylContact C-O 3.55Å; S334-H350 WeakPolarHBondContact CA-O 3.49Å; S334-H351 PolarHBondContact OG-ND1 2.83Å
335	V	96.6	Very high	87.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.9	177	-171.9	0	0	0	0	109	L323 F325 L349 H350 W390	L323-V335 HydrophobicContact CD2-CG1 4.46Å; F325-V335 HydrophobicContact CD1-CB 4.36Å; F325-V335 HydrophobicContact CD1-CG1 4.06Å; F325-V335 HydrophobicContact CD1-CG2 3.72Å; F325-V335 HydrophobicContact CE1-CB 4.31Å; F325-V335 HydrophobicContact CE1-CG1 3.67Å; F325-V335 HydrophobicContact CE1-CG2 3.74Å; F325-V335 HydrophobicContact CZ-CG1 4.16Å; V335-L349 HydrophobicContact CG1-CD1 4.44Å; V335-L349 PolarHBondContact O-N 2.89Å; V335-H350 PolarHBondContact N-O 2.85Å; V335-H350 PolarHBondContact O-N 2.83Å; V335-W390 HydrophobicContact CB-CE3 4.39Å; V335-W390 HydrophobicContact CG1-CD2 4.24Å; V335-W390 HydrophobicContact CG1-CE3 4.02Å; V335-W390 HydrophobicContact CG1-CZ3 4.31Å; V335-W390 HydrophobicContact CG2-CB 3.92Å; V335-W390 HydrophobicContact CG2-CD2 4.36Å; V335-W390 HydrophobicContact CG2-CE3 4.29Å; V335-W390 HydrophobicContact CG2-CG 4.24Å
336	W	95.3	Very high	86.9	Confident	7 Å²	7	47 Å²	47	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.2	-176.1	-46.4	81.5	0	0	0	110	V307 A309 L323 V324 S326 L346 Q347 L348	V307-W336 HydrophobicContact CB-CH2 4.44Å; V307-W336 HydrophobicContact CG1-CH2 3.96Å; V307-W336 HydrophobicContact CG1-CZ3 4.27Å; A309-W336 HydrophobicContact CB-CH2 3.84Å; A309-W336 HydrophobicContact CB-CZ2 3.48Å; A309-W336 VanDerWaalsContact CB-CZ2 3.48Å; L323-W336 CarbonylContact C-O 3.59Å; L323-W336 VanDerWaalsContact CA-O 3.32Å; L323-W336 WeakPolarHBondContact CA-O 3.18Å; V324-W336 HydrophobicContact CB-CB 4.23Å; V324-W336 PolarHBondContact N-O 3.36Å; V324-W336 VanDerWaalsContact O-CD1 3.3Å; V324-W336 PolarHBondContact O-N 2.72Å; S326-W336 PolarHBondContact OG-NE1 3.35Å; W336-L346 HydrophobicContact CB-CB 4.39Å; W336-L346 HydrophobicContact CB-CD2 4.28Å; W336-L346 HydrophobicContact CD2-CB 4.49Å; W336-L346 HydrophobicContact CE3-CB 4Å; W336-Q347 CarbonylContact C-O 3.49Å; W336-Q347 WeakPolarHBondContact CA-O 3.17Å; W336-L348 HydrophobicContact CD2-CD1 4.09Å; W336-L348 HydrophobicContact CE3-CB 3.87Å; W336-L348 HydrophobicContact CE3-CD1 4.08Å; W336-L348 HydrophobicContact CH2-CB 4.28Å; W336-L348 HydrophobicContact CH2-CD1 3.87Å; W336-L348 HydrophobicContact CZ2-CD1 3.87Å; W336-L348 HydrophobicContact CZ3-CB 3.68Å; W336-L348 HydrophobicContact CZ3-CD1 4Å; W336-L348 HydrophobicContact CZ3-CG 4.37Å
337	E	92.4	Very high	86.6	Confident	71 Å²	71	50.5 Å²	50.5	33%	0.332	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.6	164.8	-171.7	171.3	-134.2	0	0	109.3	R339 P345 Q347 L349	E337-R339 PolarHBondContact O-N 2.76Å; E337-P345 VanDerWaalsContact O-O 3.1Å; E337-Q347 PolarHBondContact N-O 2.84Å; E337-Q347 PolarHBondContact O-N 3.02Å; E337-L349 HydrophobicContact CB-CD1 3.97Å; E337-L349 HydrophobicContact CB-CD2 3.95Å; E337-L349 HydrophobicContact CB-CG 3.91Å
338	N	89.1	Confident	86.6	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	97.4	172.1	-176	7	0	0	0	109.5	Y283 P322 R340 P345	Y283-N338 WeakPolarHBondContact CE2-OD1 3.49Å; P322-N338 WeakPolarHBondContact O-CB 3.25Å; P322-N338 PolarHBondContact O-N 2.88Å; N338-R340 PolarHBondContact O-N 3.43Å; N338-P345 CarbonylContact C-O 3.6Å; N338-P345 VanDerWaalsContact CA-O 3.26Å; N338-P345 WeakPolarHBondContact CA-O 3.33Å
339	R	83.1	Confident	86.5	Confident	89 Å²	89	57.4 Å²	57.4	34%	0.336	25%	0.25	S	S	.	.			trans	-74.4	120.2	177.6	-67.5	-167.7	167.4	-150.1	-2.9	110.4	E337 W341 E342 P345 Q347	E337-R339 PolarHBondContact O-N 2.76Å; R339-W341 PolarHBondContact O-N 3.15Å; R339-E342 HydrophobicContact CB-CB 4.46Å; R339-E342 HydrophobicContact CB-CG 4.28Å; R339-E342 WeakPolarHBondContact CD-OE1 3.4Å; R339-E342 WeakPolarHBondContact CD-OE2 3.38Å; R339-E342 IonicContact NH1-OE1 2.98Å; R339-E342 PolarHBondContact NH1-OE1 2.94Å; R339-P345 PolarHBondContact N-O 2.9Å; R339-Q347 HydrophobicContact CG-CB 4.42Å; R339-Q347 VanDerWaalsContact NH2-CD 3.3Å
340	R	69.4	Low	86.6	Confident	133 Å²	133	59.2 Å²	59.2	50%	0.502	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	132	-179.5	-55.4	-176.8	172.4	177.8	-1	109.9	E279 N338	E279-R340 IonicContact OE2-CZ 3.59Å; E279-R340 IonicContact OE2-NE 3.54Å; E279-R340 PolarHBondContact OE2-NE 2.86Å; E279-R340 IonicContact OE2-NH2 3.92Å; E279-R340 PolarHBondContact OE2-NH2 2.96Å; N338-R340 PolarHBondContact O-N 3.43Å
341	W	62.7	Low	86.8	Confident	174 Å²	174	62.1 Å²	62.1	66%	0.659	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	19.7	174.3	-56.3	-75.7	0	0	0	118	R339	R339-W341 PolarHBondContact O-N 3.15Å
342	E	66.8	Low	87.1	Confident	91 Å²	91	64.3 Å²	64.3	43%	0.425	28%	0.276	S	S	.	.			trans	-98.7	154.1	172.3	-66.9	-171.8	-164.9	0	0	112.4	R339 E344	R339-E342 HydrophobicContact CB-CB 4.46Å; R339-E342 HydrophobicContact CB-CG 4.28Å; R339-E342 WeakPolarHBondContact CD-OE1 3.4Å; R339-E342 WeakPolarHBondContact CD-OE2 3.38Å; R339-E342 IonicContact NH1-OE1 2.98Å; R339-E342 PolarHBondContact NH1-OE1 2.94Å; E342-E344 PolarHBondContact O-N 3.06Å
343	R	71	Confident	86.9	Confident	231 Å²	231	66 Å²	66	87%	0.872	29%	0.287	S	S	*	.	S	Bend	trans	-64	-32.4	174.3	-82.7	-172.9	176.5	-177.3	-0.4	111.9	C304 P345	C304-R343 WeakPolarHBondContact CB-O 3.47Å; R343-P345 WeakPolarHBondContact O-CD 3.21Å
344	E	84.1	Confident	86.4	Confident	129 Å²	129	68.8 Å²	68.8	60%	0.603	30%	0.302	S	S	*	.	S	Bend	trans	-110.8	90.4	175.4	-67.3	-175.2	179.2	0	0	108.2	Q305 E342 L346	Q305-E344 HydrophobicContact CG-CB 4.22Å; Q305-E344 HydrophobicContact CG-CG 4.17Å; E342-E344 PolarHBondContact O-N 3.06Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.1Å
345	P	85.4	Confident	85.7	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	34%	0.339	C	S	.	.			trans	-71	-27.1	-170.1	27.3	-35.5	0	0	0	113.1	Y283 A295 C304 E337 N338 R339 R343	Y283-P345 HydrophobicContact CD1-CB 4.39Å; Y283-P345 HydrophobicContact CD1-CG 4.04Å; Y283-P345 HydrophobicContact CD2-CB 4.05Å; Y283-P345 HydrophobicContact CD2-CG 4.49Å; Y283-P345 HydrophobicContact CE1-CB 4Å; Y283-P345 HydrophobicContact CE1-CG 3.86Å; Y283-P345 HydrophobicContact CE2-CB 3.6Å; Y283-P345 HydrophobicContact CE2-CG 4.3Å; Y283-P345 HydrophobicContact CG-CB 4.41Å; Y283-P345 HydrophobicContact CG-CG 4.35Å; A295-P345 HydrophobicContact CB-CG 3.6Å; C304-P345 HydrophobicContact CB-CG 4.31Å; E337-P345 VanDerWaalsContact O-O 3.1Å; N338-P345 CarbonylContact C-O 3.6Å; N338-P345 VanDerWaalsContact CA-O 3.26Å; N338-P345 WeakPolarHBondContact CA-O 3.33Å; R339-P345 PolarHBondContact N-O 2.9Å; R343-P345 WeakPolarHBondContact O-CD 3.21Å
346	L	91.1	Very high	84.9	Confident	7 Å²	7	79.2 Å²	79.2	4%	0.037	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115	-176.9	-57.5	178.5	0	0	0	110.9	I285 V293 A295 Q305 V324 W336 E344	I285-L346 HydrophobicContact CD1-CD1 4.19Å; I285-L346 HydrophobicContact CD1-CD2 4.12Å; I285-L346 HydrophobicContact CD1-CG 4.44Å; I285-L346 HydrophobicContact CG2-CD1 4.27Å; V293-L346 HydrophobicContact CG1-CD1 3.84Å; A295-L346 HydrophobicContact CB-CD1 4.09Å; A295-L346 HydrophobicContact CB-CG 4.17Å; Q305-L346 PolarHBondContact NE2-O 2.9Å; Q305-L346 VanDerWaalsContact OE1-CB 3.31Å; Q305-L346 PolarHBondContact OE1-O 2.86Å; V324-L346 HydrophobicContact CB-CD2 4.4Å; V324-L346 HydrophobicContact CG2-CD2 4.12Å; W336-L346 HydrophobicContact CB-CB 4.39Å; W336-L346 HydrophobicContact CB-CD2 4.28Å; W336-L346 HydrophobicContact CD2-CB 4.49Å; W336-L346 HydrophobicContact CE3-CB 4Å; E344-L346 VanDerWaalsContact C-N 3.33Å; E344-L346 PolarHBondContact O-N 3.1Å
347	Q	91.7	Very high	84.1	Confident	73 Å²	73	78.9 Å²	78.9	34%	0.341	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.9	166.9	-173.6	-175.9	32.9	0	0	110	W336 E337 R339 L349	W336-Q347 CarbonylContact C-O 3.49Å; W336-Q347 WeakPolarHBondContact CA-O 3.17Å; E337-Q347 PolarHBondContact N-O 2.84Å; E337-Q347 PolarHBondContact O-N 3.02Å; R339-Q347 HydrophobicContact CG-CB 4.42Å; R339-Q347 VanDerWaalsContact NH2-CD 3.3Å; Q347-L349 PolarHBondContact O-N 3.23Å
348	L	94.4	Very high	83.1	Confident	84 Å²	84	76.9 Å²	76.9	44%	0.44	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	123.3	173.1	-175	66.1	0	0	0	110.1	W336 H350 H351	W336-L348 HydrophobicContact CD2-CD1 4.09Å; W336-L348 HydrophobicContact CE3-CB 3.87Å; W336-L348 HydrophobicContact CE3-CD1 4.08Å; W336-L348 HydrophobicContact CH2-CB 4.28Å; W336-L348 HydrophobicContact CH2-CD1 3.87Å; W336-L348 HydrophobicContact CZ2-CD1 3.87Å; W336-L348 HydrophobicContact CZ3-CB 3.68Å; W336-L348 HydrophobicContact CZ3-CD1 4Å; W336-L348 HydrophobicContact CZ3-CG 4.37Å; L348-H350 WeakPolarHBondContact CD1-O 3.49Å; L348-H351 HydrophobicContact CD1-CB 4.48Å; L348-H351 HydrophobicContact CD2-CB 4.33Å
349	L	92.6	Very high	82.6	Confident	60 Å²	60	77 Å²	77	31%	0.314	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-52.3	172.8	-64.6	-177.5	0	0	0	111.2	L323 V335 E337 Q347 W390	L323-L349 HydrophobicContact CD2-CD1 3.71Å; V335-L349 HydrophobicContact CG1-CD1 4.44Å; V335-L349 PolarHBondContact O-N 2.89Å; E337-L349 HydrophobicContact CB-CD1 3.97Å; E337-L349 HydrophobicContact CB-CD2 3.95Å; E337-L349 HydrophobicContact CB-CG 3.91Å; Q347-L349 PolarHBondContact O-N 3.23Å; L349-W390 HydrophobicContact CD1-CH2 4.38Å; L349-W390 HydrophobicContact CD1-CZ3 4.25Å
350	H	92.8	Very high	81.7	Confident	66 Å²	66	74.9 Å²	74.9	31%	0.306	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.4	-178	-66.4	-87.7	0	0	0	110.3	S334 V335 L348 W352 W390	S334-H350 CarbonylContact C-O 3.55Å; S334-H350 WeakPolarHBondContact CA-O 3.49Å; V335-H350 PolarHBondContact N-O 2.85Å; V335-H350 PolarHBondContact O-N 2.83Å; L348-H350 WeakPolarHBondContact CD1-O 3.49Å; H350-W352 AromaticContact ND1-CZ2 3.99Å; H350-W390 AromaticContact CD2-CE3 3.68Å; H350-W390 AromaticContact CD2-CZ3 3.64Å; H350-W390 AromaticContact NE2-CZ3 4Å
351	H	93.2	Very high	81.2	Confident	85 Å²	85	77 Å²	77	39%	0.394	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.2	168.2	174.1	75.2	0	0	0	108.3	S334 L348	S334-H351 PolarHBondContact OG-ND1 2.83Å; L348-H351 HydrophobicContact CD1-CB 4.48Å; L348-H351 HydrophobicContact CD2-CB 4.33Å
352	W	93	Very high	80.7	Confident	46 Å²	46	70.2 Å²	70.2	17%	0.174	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.4	177.8	-60.2	109.6	0	0	0	107.8	G332 V333 H350 V356 T357 L388 W390 G393	G332-W352 CarbonylContact C-O 3.57Å; G332-W352 VanDerWaalsContact CA-O 3.25Å; G332-W352 WeakPolarHBondContact CA-O 3.39Å; V333-W352 PolarHBondContact N-O 2.84Å; V333-W352 PolarHBondContact O-N 2.88Å; H350-W352 AromaticContact ND1-CZ2 3.99Å; W352-V356 HydrophobicContact CB-CB 4.47Å; W352-V356 HydrophobicContact CD2-CG1 4.32Å; W352-V356 HydrophobicContact CE3-CB 4.09Å; W352-V356 HydrophobicContact CE3-CG1 3.67Å; W352-V356 HydrophobicContact CE3-CG2 3.95Å; W352-V356 HydrophobicContact CZ3-CG1 4.25Å; W352-V356 HydrophobicContact CZ3-CG2 4.44Å; W352-T357 HydrophobicContact CB-CG2 4.37Å; W352-L388 HydrophobicContact CB-CD2 4.34Å; W352-L388 HydrophobicContact CG-CD1 4.47Å; W352-L388 HydrophobicContact CG-CD2 4.11Å; W352-W390 WeakPolarHBondContact CZ2-O 3.44Å; W352-W390 PolarHBondContact NE1-O 2.85Å; W352-G393 VanDerWaalsContact CZ2-CA 3.45Å
353	S	89.1	Confident	79.5	Confident	34 Å²	34	72.7 Å²	72.7	24%	0.238	37%	0.367	C	S	.	.			trans	-74.2	172.6	177.9	66.2	0	0	0	0	111.1	Q355 V356 T357	S353-Q355 PolarHBondContact O-N 3.36Å; S353-V356 PolarHBondContact O-N 3.36Å; S353-T357 PolarHBondContact O-N 2.94Å; S353-T357 PolarHBondContact O-OG1 3.17Å
354	N	84.2	Confident	78.7	Confident	59 Å²	59	65.5 Å²	65.5	32%	0.316	37%	0.365	S	S	.	.	H	α-helix	trans	-58.6	-25.4	175.7	72.4	-25.8	0	0	0	114.3	E330 V356 T357 G358 L359	E330-N354 WeakPolarHBondContact O-CB 3.31Å; N354-V356 VanDerWaalsContact C-N 3.28Å; N354-V356 PolarHBondContact O-N 2.84Å; N354-T357 WeakPolarHBondContact CA-OG1 3.19Å; N354-G358 WeakPolarHBondContact O-CA 3.34Å; N354-G358 PolarHBondContact O-N 2.94Å; N354-L359 WeakPolarHBondContact CB-O 3.49Å; N354-L359 PolarHBondContact O-N 3.19Å
355	Q	81.1	Confident	77.9	Confident	169 Å²	169	60 Å²	60	79%	0.79	34%	0.342	S	S	*	.	H	α-helix	trans	-63.9	-36.6	174.3	-65.3	-179.1	-13.6	0	0	111.7	S353	S353-Q355 PolarHBondContact O-N 3.36Å
356	V	79.9	Confident	77.8	Confident	51 Å²	51	64.1 Å²	64.1	31%	0.309	36%	0.358	S	S	.	.	H	α-helix	trans	-80.5	-51.6	177.2	179.5	0	0	0	0	108.8	W352 S353 N354 G358 I395	W352-V356 HydrophobicContact CB-CB 4.47Å; W352-V356 HydrophobicContact CD2-CG1 4.32Å; W352-V356 HydrophobicContact CE3-CB 4.09Å; W352-V356 HydrophobicContact CE3-CG1 3.67Å; W352-V356 HydrophobicContact CE3-CG2 3.95Å; W352-V356 HydrophobicContact CZ3-CG1 4.25Å; W352-V356 HydrophobicContact CZ3-CG2 4.44Å; S353-V356 PolarHBondContact O-N 3.36Å; N354-V356 VanDerWaalsContact C-N 3.28Å; N354-V356 PolarHBondContact O-N 2.84Å; V356-G358 PolarHBondContact O-N 2.87Å; V356-I395 VanDerWaalsContact C-CD1 3.42Å; V356-I395 HydrophobicContact CG1-CD1 3.85Å; V356-I395 WeakPolarHBondContact O-CD1 3.47Å
357	T	78.8	Confident	77.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64	-16.9	-178	64.3	0	0	0	0	113.6	G331 V333 W352 S353 N354 L359 L378 K386 I395	G331-T357 WeakPolarHBondContact O-CB 3.28Å; G331-T357 WeakPolarHBondContact O-CG2 3.47Å; G331-T357 PolarHBondContact O-OG1 2.9Å; V333-T357 HydrophobicContact CG2-CG2 4.15Å; W352-T357 HydrophobicContact CB-CG2 4.37Å; S353-T357 PolarHBondContact O-N 2.94Å; S353-T357 PolarHBondContact O-OG1 3.17Å; N354-T357 WeakPolarHBondContact CA-OG1 3.19Å; T357-L359 PolarHBondContact O-N 2.82Å; T357-L378 HydrophobicContact CG2-CD1 4.21Å; T357-K386 WeakPolarHBondContact O-CD 3.35Å; T357-K386 WeakPolarHBondContact O-CE 3.41Å; T357-K386 PolarHBondContact O-NZ 3.19Å; T357-I395 VanDerWaalsContact CA-CD1 3.5Å
358	G	71.3	Confident	77.8	Confident	29 Å²	29	61.5 Å²	61.5	30%	0.299	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	28.4	-175.6	0	0	0	0	0	111.8	N354 V356 K386	N354-G358 WeakPolarHBondContact O-CA 3.34Å; N354-G358 PolarHBondContact O-N 2.94Å; V356-G358 PolarHBondContact O-N 2.87Å; G358-K386 PolarHBondContact O-NZ 2.99Å
359	L	78.3	Confident	77.7	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.031	33%	0.327	C	S	.	.			trans	-101.5	98.9	178.7	-63	179.7	0	0	0	107.6	N354 T357 L367 L378 Y380 K386	N354-L359 WeakPolarHBondContact CB-O 3.49Å; N354-L359 PolarHBondContact O-N 3.19Å; T357-L359 PolarHBondContact O-N 2.82Å; L359-L367 HydrophobicContact CD1-CD1 3.81Å; L359-L367 HydrophobicContact CD1-CD2 4.46Å; L359-L378 HydrophobicContact CD1-CD1 4.42Å; L359-Y380 HydrophobicContact CB-CD1 4.2Å; L359-Y380 HydrophobicContact CB-CE1 4.48Å; L359-Y380 HydrophobicContact CB-CG 4.4Å; L359-Y380 HydrophobicContact CD1-CD2 4.37Å; L359-Y380 HydrophobicContact CD1-CG 4.13Å; L359-Y380 HydrophobicContact CD2-CD1 4.1Å; L359-Y380 HydrophobicContact CD2-CG 4.08Å; L359-Y380 HydrophobicContact CG-CG 4.43Å; L359-K386 HydrophobicContact CD2-CD 3.91Å; L359-K386 HydrophobicContact CG-CD 4.47Å
360	S	64.1	Low	77.7	Confident	45 Å²	45	55.4 Å²	55.4	32%	0.315	32%	0.316	S	S	.	.			trans	-73.1	159.9	179.8	75.8	0	0	0	0	111.9	G362 Y380 R382	S360-G362 VanDerWaalsContact C-N 3.34Å; S360-G362 PolarHBondContact O-N 3.27Å; S360-Y380 VanDerWaalsContact O-CE1 3.24Å; S360-Y380 WeakPolarHBondContact O-CE1 3.33Å; S360-Y380 PolarHBondContact O-OH 2.91Å; S360-R382 PolarHBondContact OG-NH2 2.86Å
361	R	59.2	Low	77.7	Confident	178 Å²	178	53.2 Å²	53.2	67%	0.672	31%	0.307	S	S	*	.			trans	-62.2	92.8	175.1	-84.5	167.9	69.3	104.3	-3.6	109.5	E312	E312-R361 IonicContact OE1-CZ 3.36Å; E312-R361 IonicContact OE1-NH1 3.34Å; E312-R361 PolarHBondContact OE1-NH1 3.44Å; E312-R361 IonicContact OE1-NH2 3.27Å
362	G	52.4	Low	77.5	Confident	31 Å²	31	54.4 Å²	54.4	32%	0.32	31%	0.309	S	S	.	.			trans	-90.8	137.9	167.3	0	0	0	0	0	110.2	S360 G364 G365	S360-G362 VanDerWaalsContact C-N 3.34Å; S360-G362 PolarHBondContact O-N 3.27Å; G362-G364 PolarHBondContact O-N 2.94Å; G362-G365 PolarHBondContact O-N 3.26Å
363	P	41.9	Very low	77.3	Confident	143 Å²	143	53.8 Å²	53.8	93%	0.929	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	112	173.9	23.8	-30.5	0	0	0	109.7
364	G	54.5	Low	77.3	Confident	81 Å²	81	55.4 Å²	55.4	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	13.3	174.6	0	0	0	0	0	116.7	G362 R366	G362-G364 PolarHBondContact O-N 2.94Å; G364-R366 PolarHBondContact O-N 2.98Å
365	G	66.6	Low	77.7	Confident	12 Å²	12	56.9 Å²	56.9	12%	0.124	32%	0.324	C	S	.	.			trans	-64.7	102.2	179.7	0	0	0	0	0	113.4	G362 L367 Y380	G362-G365 PolarHBondContact O-N 3.26Å; G365-L367 PolarHBondContact O-N 3.32Å; G365-Y380 VanDerWaalsContact O-CE2 3.31Å; G365-Y380 WeakPolarHBondContact O-CE2 3.5Å
366	R	84.1	Confident	78.3	Confident	88 Å²	88	48.8 Å²	48.8	33%	0.332	29%	0.286	S	S	.	.			trans	-80.4	109	169.4	-171.6	-174.9	-171.4	-173.8	6.6	108.6	T176 T315 G364 T368 L455	T176-R366 PolarHBondContact O-NH1 3.06Å; T315-R366 HydrophobicContact CG2-CG 4.38Å; G364-R366 PolarHBondContact O-N 2.98Å; R366-T368 PolarHBondContact O-N 3.5Å; R366-L455 PolarHBondContact NH1-O 3.32Å; R366-L455 VanDerWaalsContact NH1-O 3.1Å
367	L	90.2	Very high	78.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.272	C	S	.	.			trans	-76.4	118.8	172.7	-178.3	58	0	0	0	110.1	T315 S316 S328 V333 L359 G365 L369 L378 A379 Y380	T315-L367 WeakPolarHBondContact OG1-CB 3.42Å; T315-L367 PolarHBondContact OG1-N 2.83Å; T315-L367 VanDerWaalsContact OG1-N 3.15Å; T315-L367 PolarHBondContact OG1-O 2.8Å; S316-L367 WeakPolarHBondContact CB-O 3.39Å; S316-L367 PolarHBondContact OG-O 2.96Å; S328-L367 WeakPolarHBondContact O-CB 3.38Å; V333-L367 HydrophobicContact CG2-CD2 3.98Å; L359-L367 HydrophobicContact CD1-CD1 3.81Å; L359-L367 HydrophobicContact CD1-CD2 4.46Å; G365-L367 PolarHBondContact O-N 3.32Å; L367-L369 HydrophobicContact CD1-CD2 4.43Å; L367-L369 HydrophobicContact CD2-CD2 4.26Å; L367-L369 HydrophobicContact CG-CD2 4.15Å; L367-L378 HydrophobicContact CD1-CB 4.1Å; L367-A379 WeakPolarHBondContact CA-O 3.31Å; L367-Y380 HydrophobicContact CB-CD2 3.85Å; L367-Y380 HydrophobicContact CB-CE2 4.36Å; L367-Y380 HydrophobicContact CD1-CD2 4.18Å
368	T	91.3	Very high	79.6	Confident	25 Å²	25	46.6 Å²	46.6	15%	0.153	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.5	171.9	-60.8	0	0	0	0	109.9	R366 A379 D409 V411	R366-T368 PolarHBondContact O-N 3.5Å; T368-A379 PolarHBondContact N-O 3.21Å; T368-A379 PolarHBondContact O-N 2.75Å; T368-D409 WeakPolarHBondContact CB-O 3.25Å; T368-D409 PolarHBondContact OG1-O 3.28Å; T368-V411 HydrophobicContact CG2-CG2 4.16Å
369	L	93.4	Very high	80.5	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.7	178.5	-59.9	177.9	0	0	0	111.1	S316 Q318 F325 G327 V333 L367 V376 V377 L378	S316-L369 VanDerWaalsContact OG-CG 3.31Å; S316-L369 WeakPolarHBondContact OG-CG 3.36Å; Q318-L369 HydrophobicContact CG-CB 4.35Å; Q318-L369 WeakPolarHBondContact CG-O 3.41Å; F325-L369 HydrophobicContact CB-CD1 4.05Å; G327-L369 VanDerWaalsContact N-CD1 3.34Å; V333-L369 HydrophobicContact CG2-CD2 4.11Å; L367-L369 HydrophobicContact CD1-CD2 4.43Å; L367-L369 HydrophobicContact CD2-CD2 4.26Å; L367-L369 HydrophobicContact CG-CD2 4.15Å; L369-V376 HydrophobicContact CB-CG1 4.38Å; L369-V376 HydrophobicContact CD2-CG1 3.96Å; L369-V377 WeakPolarHBondContact CA-O 3.43Å; L369-L378 HydrophobicContact CD2-CD2 3.11Å
370	S	93.1	Very high	80.9	Confident	11 Å²	11	45.5 Å²	45.5	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	95.2	163.8	-174.4	0	0	0	0	109.1	V377 Q413	S370-V377 PolarHBondContact N-O 2.95Å; S370-V377 PolarHBondContact O-N 3.48Å; S370-Q413 PolarHBondContact O-NE2 2.8Å; S370-Q413 WeakPolarHBondContact OG-CG 3.38Å; S370-Q413 PolarHBondContact OG-N 3.36Å
371	P	92.1	Very high	81.7	Confident	20 Å²	20	44.7 Å²	44.7	13%	0.13	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	143.4	177.8	31	-33.9	0	0	0	112.3	Q318 Q320 F325 V376	Q318-P371 HydrophobicContact CB-CG 3.68Å; Q320-P371 PolarHBondContact OE1-O 2.88Å; F325-P371 HydrophobicContact CD1-CB 4.35Å; F325-P371 HydrophobicContact CD2-CB 3.54Å; F325-P371 HydrophobicContact CD2-CG 3.63Å; F325-P371 HydrophobicContact CE1-CB 4.34Å; F325-P371 HydrophobicContact CE2-CB 3.52Å; F325-P371 HydrophobicContact CE2-CG 3.99Å; F325-P371 HydrophobicContact CG-CB 3.98Å; F325-P371 HydrophobicContact CG-CG 4.21Å; F325-P371 HydrophobicContact CZ-CB 3.94Å; P371-V376 HydrophobicContact CB-CG1 4.46Å; P371-V376 HydrophobicContact CB-CG2 4.36Å
372	R	89.6	Confident	83	Confident	111 Å²	111	39.1 Å²	39.1	42%	0.419	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	100.1	169.4	-175.1	178.3	176	175	-4.2	110.7	Q320 D374 R375	Q320-R372 VanDerWaalsContact OE1-CA 3.24Å; R372-D374 PolarHBondContact O-N 3.24Å; R372-R375 CarbonylContact C-O 3.46Å; R372-R375 PolarHBondContact N-O 3.01Å; R372-R375 PolarHBondContact O-N 3.39Å
373	G	87.8	Confident	84.6	Confident	33 Å²	33	38.8 Å²	38.8	34%	0.34	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-118.3	177.1	0	0	0	0	0	110	Q320 W390	Q320-G373 VanDerWaalsContact NE2-N 3.1Å; G373-W390 PolarHBondContact O-NE1 3.3Å
374	D	89.4	Confident	86.8	Confident	68 Å²	68	32.8 Å²	32.8	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.4	-179	-72.9	6.8	0	0	0	113.6	R372 H389 W390 R391	R372-D374 PolarHBondContact O-N 3.24Å; D374-H389 WeakPolarHBondContact O-CA 3.47Å; D374-W390 VanDerWaalsContact C-CD1 3.45Å; D374-W390 PolarHBondContact O-N 2.99Å; D374-R391 VanDerWaalsContact CG-CZ 3.48Å; D374-R391 VanDerWaalsContact CG-NH1 3.29Å; D374-R391 IonicContact OD1-CZ 2.73Å; D374-R391 IonicContact OD1-NE 3.66Å; D374-R391 PolarHBondContact OD1-NE 2.9Å; D374-R391 IonicContact OD1-NH1 3.12Å; D374-R391 PolarHBondContact OD1-NH1 2.8Å; D374-R391 VanDerWaalsContact OD1-NH1 3.13Å; D374-R391 IonicContact OD1-NH2 3.72Å; D374-R391 PolarHBondContact OD1-NH2 3Å; D374-R391 IonicContact OD2-CZ 3.21Å; D374-R391 IonicContact OD2-NE 3Å; D374-R391 IonicContact OD2-NH1 2.85Å; D374-R391 PolarHBondContact OD2-NH1 3.5Å
375	R	91.9	Very high	88.5	Confident	89 Å²	89	28.9 Å²	28.9	34%	0.336	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.5	-178.3	-63.1	-179.6	-170.7	-118.1	4.9	111.1	R372 I387 L388 H389	R372-R375 CarbonylContact C-O 3.46Å; R372-R375 PolarHBondContact N-O 3.01Å; R372-R375 PolarHBondContact O-N 3.39Å; R375-I387 HydrophobicContact CB-CG2 4.01Å; R375-I387 HydrophobicContact CG-CG2 4.25Å; R375-L388 CarbonylContact C-O 3.58Å; R375-L388 WeakPolarHBondContact CA-O 3.25Å; R375-H389 VanDerWaalsContact CZ-NE2 3.25Å; R375-H389 PolarHBondContact NE-CE1 2.83Å; R375-H389 VanDerWaalsContact NE-CE1 3.32Å; R375-H389 PolarHBondContact NH1-NE2 3.42Å
376	V	93.8	Very high	89.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.3	172.6	-169.8	0	0	0	0	108.1	F325 L369 P371 L378 L388 W390	F325-V376 HydrophobicContact CD1-CG2 3.63Å; F325-V376 HydrophobicContact CE1-CG2 3.46Å; F325-V376 VanDerWaalsContact CE1-CG2 3.46Å; F325-V376 HydrophobicContact CZ-CG2 4.32Å; L369-V376 HydrophobicContact CB-CG1 4.38Å; L369-V376 HydrophobicContact CD2-CG1 3.96Å; P371-V376 HydrophobicContact CB-CG1 4.46Å; P371-V376 HydrophobicContact CB-CG2 4.36Å; V376-L378 HydrophobicContact CB-CD2 4.35Å; V376-L378 HydrophobicContact CG1-CD2 3.77Å; V376-L388 HydrophobicContact CB-CB 4.5Å; V376-L388 PolarHBondContact N-O 2.66Å; V376-L388 PolarHBondContact O-N 3.38Å; V376-W390 HydrophobicContact CG2-CB 4.08Å; V376-W390 HydrophobicContact CG2-CG 4.34Å
377	V	93.9	Very high	90.1	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131	176.3	-177.4	0	0	0	0	108.7	L369 S370 I385 K386 I387 V411 L418	L369-V377 WeakPolarHBondContact CA-O 3.43Å; S370-V377 PolarHBondContact N-O 2.95Å; S370-V377 PolarHBondContact O-N 3.48Å; V377-I385 HydrophobicContact CG1-CG2 3.27Å; V377-K386 CarbonylContact C-O 3.51Å; V377-I387 HydrophobicContact CG2-CG1 4.27Å; V377-V411 HydrophobicContact CG1-CB 4.18Å; V377-V411 HydrophobicContact CG1-CG1 4.26Å; V377-V411 HydrophobicContact CG1-CG2 4.12Å; V377-L418 HydrophobicContact CG1-CD1 4.02Å; V377-L418 HydrophobicContact CG1-CD2 4.27Å; V377-L418 HydrophobicContact CG2-CD1 4.44Å
378	L	93.4	Very high	90.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.2	-173	-47	-177.9	0	0	0	109.3	V333 T357 L359 L367 L369 V376 K386 L388	V333-L378 HydrophobicContact CG2-CD1 4.36Å; V333-L378 HydrophobicContact CG2-CD2 3.94Å; T357-L378 HydrophobicContact CG2-CD1 4.21Å; L359-L378 HydrophobicContact CD1-CD1 4.42Å; L367-L378 HydrophobicContact CD1-CB 4.1Å; L369-L378 HydrophobicContact CD2-CD2 3.11Å; V376-L378 HydrophobicContact CB-CD2 4.35Å; V376-L378 HydrophobicContact CG1-CD2 3.77Å; L378-K386 HydrophobicContact CB-CB 4.18Å; L378-K386 HydrophobicContact CD1-CB 4.32Å; L378-K386 PolarHBondContact N-O 3Å; L378-K386 PolarHBondContact O-N 3.01Å; L378-L388 HydrophobicContact CD1-CB 4.07Å; L378-L388 HydrophobicContact CG-CB 4.45Å
379	A	90.6	Very high	90.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.5	167.8	0	0	0	0	0	110.1	L367 T368 T408 V411	L367-A379 WeakPolarHBondContact CA-O 3.31Å; T368-A379 PolarHBondContact N-O 3.21Å; T368-A379 PolarHBondContact O-N 2.75Å; A379-T408 HydrophobicContact CB-CG2 3.83Å; A379-V411 HydrophobicContact CB-CB 4.26Å; A379-V411 HydrophobicContact CB-CG1 3.67Å; A379-V411 HydrophobicContact CB-CG2 3.72Å
380	Y	85.7	Confident	90.4	Very high	11 Å²	11	25.9 Å²	25.9	4%	0.043	14%	0.136	C	C	.	.			trans	-137.8	48.1	-172	-169.6	-104.6	0	0	0	111.7	A329 L359 S360 G365 L367 R382	A329-Y380 WeakPolarHBondContact O-CE2 3.45Å; A329-Y380 PolarHBondContact O-OH 2.71Å; L359-Y380 HydrophobicContact CB-CD1 4.2Å; L359-Y380 HydrophobicContact CB-CE1 4.48Å; L359-Y380 HydrophobicContact CB-CG 4.4Å; L359-Y380 HydrophobicContact CD1-CD2 4.37Å; L359-Y380 HydrophobicContact CD1-CG 4.13Å; L359-Y380 HydrophobicContact CD2-CD1 4.1Å; L359-Y380 HydrophobicContact CD2-CG 4.08Å; L359-Y380 HydrophobicContact CG-CG 4.43Å; S360-Y380 VanDerWaalsContact O-CE1 3.24Å; S360-Y380 WeakPolarHBondContact O-CE1 3.33Å; S360-Y380 PolarHBondContact O-OH 2.91Å; G365-Y380 VanDerWaalsContact O-CE2 3.31Å; G365-Y380 WeakPolarHBondContact O-CE2 3.5Å; L367-Y380 HydrophobicContact CB-CD2 3.85Å; L367-Y380 HydrophobicContact CB-CE2 4.36Å; L367-Y380 HydrophobicContact CD1-CD2 4.18Å; Y380-R382 PolarHBondContact O-N 2.98Å
381	G	81.6	Confident	90.4	Very high	28 Å²	28	32 Å²	32	29%	0.289	16%	0.158	S	C	.	.	S	Bend	trans	60.7	18.9	173.6	0	0	0	0	0	115.3	T408	G381-T408 WeakPolarHBondContact CA-O 3.47Å; G381-T408 PolarHBondContact N-O 3.05Å
382	R	85.5	Confident	90.3	Very high	62 Å²	62	35.6 Å²	35.6	23%	0.234	18%	0.179	C	C	.	.	S	Bend	trans	-109.4	172.5	177.1	-73.2	-175.1	169.4	-166.7	-8.9	110.7	S360 Y380 S384 G406 T408 D514	S360-R382 PolarHBondContact OG-NH2 2.86Å; Y380-R382 PolarHBondContact O-N 2.98Å; R382-S384 VanDerWaalsContact C-N 3.26Å; R382-S384 PolarHBondContact O-N 3.42Å; R382-G406 CarbonylContact C-O 3.58Å; R382-G406 VanDerWaalsContact C-O 3.28Å; R382-T408 WeakPolarHBondContact O-CB 3.32Å; R382-T408 PolarHBondContact O-N 2.91Å; R382-T408 PolarHBondContact O-OG1 2.82Å; R382-T408 VanDerWaalsContact O-OG1 3.05Å; R382-D514 IonicContact CZ-OD2 3.46Å; R382-D514 IonicContact NH1-OD2 3.91Å; R382-D514 PolarHBondContact NH1-OD2 3.49Å
383	A	85.7	Confident	90.3	Very high	24 Å²	24	30.9 Å²	30.9	20%	0.198	17%	0.165	C	C	.	.	S	Bend	trans	-71	-19.6	179.3	0	0	0	0	0	113.6	N400 H401 G406	A383-N400 WeakPolarHBondContact O-CB 3.37Å; A383-N400 PolarHBondContact O-N 2.81Å; A383-H401 HydrophobicContact CB-CB 4.07Å; A383-H401 PolarHBondContact O-CD2 3.43Å; A383-H401 VanDerWaalsContact O-CD2 3.3Å; A383-H401 PolarHBondContact O-N 2.8Å; A383-H401 VanDerWaalsContact O-N 3.12Å; A383-G406 VanDerWaalsContact CA-O 3.22Å; A383-G406 WeakPolarHBondContact CA-O 3.44Å; A383-G406 WeakPolarHBondContact CB-O 3.38Å; A383-G406 PolarHBondContact N-O 3.26Å
384	S	87.9	Confident	90.4	Very high	16 Å²	16	32.5 Å²	32.5	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	153.8	179.7	58.3	0	0	0	0	112.3	R382 L398	R382-S384 VanDerWaalsContact C-N 3.26Å; R382-S384 PolarHBondContact O-N 3.42Å; S384-L398 WeakPolarHBondContact CA-O 3.22Å
385	I	91.7	Very high	90.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.2	169.1	-68.1	167.6	0	0	0	107.1	V377 L398 N400 T408 V411	V377-I385 HydrophobicContact CG1-CG2 3.27Å; I385-L398 HydrophobicContact CB-CB 4.21Å; I385-L398 HydrophobicContact CB-CD2 4.45Å; I385-L398 HydrophobicContact CD1-CD2 4.43Å; I385-L398 PolarHBondContact N-O 3.48Å; I385-L398 PolarHBondContact O-N 3.04Å; I385-N400 HydrophobicContact CD1-CB 3.75Å; I385-N400 HydrophobicContact CG1-CB 3.88Å; I385-T408 HydrophobicContact CD1-CG2 4.25Å; I385-T408 HydrophobicContact CG1-CG2 3.89Å; I385-V411 HydrophobicContact CD1-CG1 3.73Å; I385-V411 HydrophobicContact CG1-CG1 3.93Å; I385-V411 HydrophobicContact CG2-CG1 4.36Å
386	K	91.6	Very high	90.3	Very high	12 Å²	12	26.2 Å²	26.2	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.1	173.2	-66.1	-165.9	175.1	-143	0	110.6	T357 G358 L359 V377 L378 I395 S396 E508	T357-K386 WeakPolarHBondContact O-CD 3.35Å; T357-K386 WeakPolarHBondContact O-CE 3.41Å; T357-K386 PolarHBondContact O-NZ 3.19Å; G358-K386 PolarHBondContact O-NZ 2.99Å; L359-K386 HydrophobicContact CD2-CD 3.91Å; L359-K386 HydrophobicContact CG-CD 4.47Å; V377-K386 CarbonylContact C-O 3.51Å; L378-K386 HydrophobicContact CB-CB 4.18Å; L378-K386 HydrophobicContact CD1-CB 4.32Å; L378-K386 PolarHBondContact N-O 3Å; L378-K386 PolarHBondContact O-N 3.01Å; K386-I395 HydrophobicContact CB-CG2 4.24Å; K386-I395 HydrophobicContact CD-CG2 4.12Å; K386-I395 HydrophobicContact CG-CG2 4.45Å; K386-S396 CarbonylContact C-O 3.52Å; K386-S396 WeakPolarHBondContact CA-O 3.47Å; K386-E508 VanDerWaalsContact CE-OE1 3.31Å; K386-E508 WeakPolarHBondContact CE-OE1 3.36Å; K386-E508 IonicContact NZ-OE1 2.69Å; K386-E508 PolarHBondContact NZ-OE1 2.91Å; K386-E508 IonicContact NZ-OE2 3.76Å; K386-E508 PolarHBondContact NZ-OE2 3.45Å; K386-E508 VanDerWaalsContact NZ-OE2 3.12Å
387	I	93.1	Very high	90.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	108.7	178	-53.1	-174.8	0	0	0	108.2	R375 V377 I395 S396 C440 L505	R375-I387 HydrophobicContact CB-CG2 4.01Å; R375-I387 HydrophobicContact CG-CG2 4.25Å; V377-I387 HydrophobicContact CG2-CG1 4.27Å; I387-I395 WeakPolarHBondContact O-CA 3.37Å; I387-S396 PolarHBondContact N-O 3.19Å; I387-S396 PolarHBondContact O-N 2.8Å; I387-C440 HydrophobicContact CD1-CB 4.49Å; I387-C440 VanDerWaalsContact CD1-SG 3.55Å; I387-L505 HydrophobicContact CD1-CD2 3.67Å
388	L	93.5	Very high	89.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.7	179.2	171	64.1	0	0	0	110.5	V333 W352 R375 V376 L378 W390 I395	V333-L388 HydrophobicContact CB-CD2 4.2Å; V333-L388 HydrophobicContact CG1-CD2 4.2Å; W352-L388 HydrophobicContact CB-CD2 4.34Å; W352-L388 HydrophobicContact CG-CD1 4.47Å; W352-L388 HydrophobicContact CG-CD2 4.11Å; R375-L388 CarbonylContact C-O 3.58Å; R375-L388 WeakPolarHBondContact CA-O 3.25Å; V376-L388 HydrophobicContact CB-CB 4.5Å; V376-L388 PolarHBondContact N-O 2.66Å; V376-L388 PolarHBondContact O-N 3.38Å; L378-L388 HydrophobicContact CD1-CB 4.07Å; L378-L388 HydrophobicContact CG-CB 4.45Å; L388-W390 PolarHBondContact O-N 2.92Å; L388-I395 HydrophobicContact CB-CG1 4.19Å; L388-I395 HydrophobicContact CD1-CD1 4.06Å; L388-I395 HydrophobicContact CD1-CG1 3.68Å
389	H	93.3	Very high	89.7	Confident	40 Å²	40	31.6 Å²	31.6	19%	0.185	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	94.8	163.6	-75.4	-96.6	0	0	0	109.4	D374 R375 R391 T392 G393 V394	D374-H389 WeakPolarHBondContact O-CA 3.47Å; R375-H389 VanDerWaalsContact CZ-NE2 3.25Å; R375-H389 PolarHBondContact NE-CE1 2.83Å; R375-H389 VanDerWaalsContact NE-CE1 3.32Å; R375-H389 PolarHBondContact NH1-NE2 3.42Å; H389-R391 PolarHBondContact O-N 2.83Å; H389-T392 VanDerWaalsContact CB-OG1 3.23Å; H389-T392 WeakPolarHBondContact CB-OG1 3.45Å; H389-T392 PolarHBondContact O-N 2.87Å; H389-T392 PolarHBondContact O-OG1 3.17Å; H389-G393 PolarHBondContact O-N 2.91Å; H389-V394 HydrophobicContact CB-CB 4.31Å; H389-V394 WeakPolarHBondContact CB-O 3.43Å; H389-V394 PolarHBondContact N-O 3.14Å
390	W	92.6	Very high	89.6	Confident	12 Å²	12	31.6 Å²	31.6	5%	0.045	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.3	-164.6	68.6	-98.7	0	0	0	115	L323 F325 V335 L349 H350 W352 G373 D374 V376 L388	L323-W390 HydrophobicContact CD1-CH2 4.1Å; L323-W390 HydrophobicContact CD1-CZ2 3.54Å; F325-W390 AromaticContact CE1-CD1 3.87Å; F325-W390 HydrophobicContact CE1-CG 4.09Å; V335-W390 HydrophobicContact CB-CE3 4.39Å; V335-W390 HydrophobicContact CG1-CD2 4.24Å; V335-W390 HydrophobicContact CG1-CE3 4.02Å; V335-W390 HydrophobicContact CG1-CZ3 4.31Å; V335-W390 HydrophobicContact CG2-CB 3.92Å; V335-W390 HydrophobicContact CG2-CD2 4.36Å; V335-W390 HydrophobicContact CG2-CE3 4.29Å; V335-W390 HydrophobicContact CG2-CG 4.24Å; L349-W390 HydrophobicContact CD1-CH2 4.38Å; L349-W390 HydrophobicContact CD1-CZ3 4.25Å; H350-W390 AromaticContact CD2-CE3 3.68Å; H350-W390 AromaticContact CD2-CZ3 3.64Å; H350-W390 AromaticContact NE2-CZ3 4Å; W352-W390 WeakPolarHBondContact CZ2-O 3.44Å; W352-W390 PolarHBondContact NE1-O 2.85Å; G373-W390 PolarHBondContact O-NE1 3.3Å; D374-W390 VanDerWaalsContact C-CD1 3.45Å; D374-W390 PolarHBondContact O-N 2.99Å; V376-W390 HydrophobicContact CG2-CB 4.08Å; V376-W390 HydrophobicContact CG2-CG 4.34Å; L388-W390 PolarHBondContact O-N 2.92Å
391	R	92.9	Very high	89.5	Confident	141 Å²	141	32 Å²	32	53%	0.532	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-34.9	176	-67.9	-179.8	176.9	174	-6.4	113.1	D374 H389	D374-R391 VanDerWaalsContact CG-CZ 3.48Å; D374-R391 VanDerWaalsContact CG-NH1 3.29Å; D374-R391 IonicContact OD1-CZ 2.73Å; D374-R391 IonicContact OD1-NE 3.66Å; D374-R391 PolarHBondContact OD1-NE 2.9Å; D374-R391 IonicContact OD1-NH1 3.12Å; D374-R391 PolarHBondContact OD1-NH1 2.8Å; D374-R391 VanDerWaalsContact OD1-NH1 3.13Å; D374-R391 IonicContact OD1-NH2 3.72Å; D374-R391 PolarHBondContact OD1-NH2 3Å; D374-R391 IonicContact OD2-CZ 3.21Å; D374-R391 IonicContact OD2-NE 3Å; D374-R391 IonicContact OD2-NH1 2.85Å; D374-R391 PolarHBondContact OD2-NH1 3.5Å; H389-R391 PolarHBondContact O-N 2.83Å
392	T	91.1	Very high	89.4	Confident	95 Å²	95	34.2 Å²	34.2	58%	0.583	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-21	-173.8	59.5	0	0	0	0	112.7	H389 V394	H389-T392 VanDerWaalsContact CB-OG1 3.23Å; H389-T392 WeakPolarHBondContact CB-OG1 3.45Å; H389-T392 PolarHBondContact O-N 2.87Å; H389-T392 PolarHBondContact O-OG1 3.17Å; T392-V394 PolarHBondContact O-N 3.09Å; T392-V394 WeakPolarHBondContact OG1-CG2 3.48Å; T392-V394 PolarHBondContact OG1-N 2.99Å
393	G	88.5	Confident	89.1	Confident	12 Å²	12	33.3 Å²	33.3	12%	0.124	18%	0.183	C	C	.	.			trans	80.4	-1.7	-172.7	0	0	0	0	0	113.9	W352 H389 I395	W352-G393 VanDerWaalsContact CZ2-CA 3.45Å; H389-G393 PolarHBondContact O-N 2.91Å; G393-I395 PolarHBondContact O-N 2.92Å
394	V	90.4	Very high	88.7	Confident	67 Å²	67	40 Å²	40	41%	0.406	21%	0.214	S	C	.	.			trans	-68.3	132.2	-179.3	176.5	0	0	0	0	109.8	H389 T392	H389-V394 HydrophobicContact CB-CB 4.31Å; H389-V394 WeakPolarHBondContact CB-O 3.43Å; H389-V394 PolarHBondContact N-O 3.14Å; T392-V394 PolarHBondContact O-N 3.09Å; T392-V394 WeakPolarHBondContact OG1-CG2 3.48Å; T392-V394 PolarHBondContact OG1-N 2.99Å
395	I	90.5	Very high	88.5	Confident	11 Å²	11	41.6 Å²	41.6	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.4	178.4	-73.1	153.4	0	0	0	110.4	V356 T357 K386 I387 L388 G393 E508	V356-I395 VanDerWaalsContact C-CD1 3.42Å; V356-I395 HydrophobicContact CG1-CD1 3.85Å; V356-I395 WeakPolarHBondContact O-CD1 3.47Å; T357-I395 VanDerWaalsContact CA-CD1 3.5Å; K386-I395 HydrophobicContact CB-CG2 4.24Å; K386-I395 HydrophobicContact CD-CG2 4.12Å; K386-I395 HydrophobicContact CG-CG2 4.45Å; I387-I395 WeakPolarHBondContact O-CA 3.37Å; L388-I395 HydrophobicContact CB-CG1 4.19Å; L388-I395 HydrophobicContact CD1-CD1 4.06Å; L388-I395 HydrophobicContact CD1-CG1 3.68Å; G393-I395 PolarHBondContact O-N 2.92Å; I395-E508 HydrophobicContact CG2-CG 4.36Å; I395-E508 VanDerWaalsContact CG2-OE2 3.27Å; I395-E508 WeakPolarHBondContact CG2-OE2 3.48Å; I395-E508 PolarHBondContact O-N 2.91Å
396	S	90.2	Very high	88.2	Confident	13 Å²	13	41.7 Å²	41.7	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.8	170.4	-48.4	0	0	0	0	110.2	K386 I387 E506	K386-S396 CarbonylContact C-O 3.52Å; K386-S396 WeakPolarHBondContact CA-O 3.47Å; I387-S396 PolarHBondContact N-O 3.19Å; I387-S396 PolarHBondContact O-N 2.8Å; S396-E506 CarbonylContact C-O 3.45Å; S396-E506 WeakPolarHBondContact CA-O 3.38Å; S396-E506 WeakPolarHBondContact CB-O 3.28Å
397	R	90.2	Very high	88.1	Confident	78 Å²	78	41.6 Å²	41.6	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.4	174.5	-174.8	178.3	175.7	155.3	-0.2	109.4	E506 D514	R397-E506 PolarHBondContact N-O 2.77Å; R397-E506 PolarHBondContact O-N 2.97Å; R397-E506 VanDerWaalsContact O-N 3.13Å; R397-D514 IonicContact NH1-OD1 3.47Å
398	L	89.1	Confident	87.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.5	170.9	177.7	67	0	0	0	108.3	S384 I385 N400 L418 F435 C440 L505	S384-L398 WeakPolarHBondContact CA-O 3.22Å; I385-L398 HydrophobicContact CB-CB 4.21Å; I385-L398 HydrophobicContact CB-CD2 4.45Å; I385-L398 HydrophobicContact CD1-CD2 4.43Å; I385-L398 PolarHBondContact N-O 3.48Å; I385-L398 PolarHBondContact O-N 3.04Å; L398-N400 PolarHBondContact O-N 2.92Å; L398-L418 HydrophobicContact CD2-CD2 3.78Å; L398-F435 HydrophobicContact CD1-CD1 4.09Å; L398-F435 HydrophobicContact CD1-CE1 3.99Å; L398-F435 HydrophobicContact CD2-CD1 4.06Å; L398-F435 HydrophobicContact CD2-CD2 4.24Å; L398-F435 HydrophobicContact CD2-CE1 4.14Å; L398-F435 HydrophobicContact CD2-CE2 4.32Å; L398-F435 HydrophobicContact CD2-CG 4.12Å; L398-F435 HydrophobicContact CD2-CZ 4.27Å; L398-F435 HydrophobicContact CG-CD1 4.47Å; L398-F435 HydrophobicContact CG-CE1 4.2Å; L398-F435 HydrophobicContact CG-CZ 4.46Å; L398-C440 HydrophobicContact CD1-CB 4.12Å; L398-C440 HydrophobicContact CD2-CB 4.06Å; L398-L505 HydrophobicContact CB-CD2 3.88Å; L398-L505 HydrophobicContact CD1-CD2 3.96Å; L398-L505 HydrophobicContact CG-CD2 4.41Å
399	T	88.8	Confident	87.7	Confident	41 Å²	41	42.5 Å²	42.5	25%	0.252	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123.5	174	-60.7	0	0	0	0	109.6	H401 M500 T503	T399-H401 WeakPolarHBondContact CG2-O 3.25Å; T399-M500 HydrophobicContact CG2-SD 4.35Å; T399-M500 VanDerWaalsContact O-CE 3.23Å; T399-M500 WeakPolarHBondContact O-CE 3.31Å; T399-T503 HydrophobicContact CG2-CG2 4.21Å
400	N	87.7	Confident	87.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.			trans	-108.7	-22.7	178.3	-172.1	45.5	0	0	0	112.2	A383 I385 L398 T408 S421 C422 N433 F435	A383-N400 WeakPolarHBondContact O-CB 3.37Å; A383-N400 PolarHBondContact O-N 2.81Å; I385-N400 HydrophobicContact CD1-CB 3.75Å; I385-N400 HydrophobicContact CG1-CB 3.88Å; L398-N400 PolarHBondContact O-N 2.92Å; N400-T408 PolarHBondContact ND2-OG1 3.28Å; N400-S421 PolarHBondContact ND2-O 2.78Å; N400-C422 PolarHBondContact ND2-SG 3.27Å; N400-N433 PolarHBondContact O-ND2 3.19Å; N400-N433 WeakPolarHBondContact OD1-CB 3.03Å; N400-F435 WeakPolarHBondContact OD1-CE2 3.36Å
401	H	83.6	Confident	87.6	Confident	20 Å²	20	40.8 Å²	40.8	9%	0.093	22%	0.223	C	C	.	.			trans	-123.2	144.5	177.3	-68.2	-109	0	0	0	110.9	A383 T399 S403 G406 V407 T408 C422 Y423	A383-H401 HydrophobicContact CB-CB 4.07Å; A383-H401 PolarHBondContact O-CD2 3.43Å; A383-H401 VanDerWaalsContact O-CD2 3.3Å; A383-H401 PolarHBondContact O-N 2.8Å; A383-H401 VanDerWaalsContact O-N 3.12Å; T399-H401 WeakPolarHBondContact CG2-O 3.25Å; H401-S403 VanDerWaalsContact C-N 3.32Å; H401-S403 WeakPolarHBondContact CB-O 3.42Å; H401-G406 VanDerWaalsContact CE1-CA 3.47Å; H401-G406 WeakPolarHBondContact CE1-CA 3.36Å; H401-G406 WeakPolarHBondContact ND1-CA 3.42Å; H401-V407 PolarHBondContact CE1-N 3.32Å; H401-V407 VanDerWaalsContact CE1-N 3.3Å; H401-V407 VanDerWaalsContact NE2-C 3.33Å; H401-V407 PolarHBondContact NE2-N 3.3Å; H401-V407 PolarHBondContact NE2-O 3.5Å; H401-T408 PolarHBondContact CD2-OG1 3.24Å; H401-T408 PolarHBondContact NE2-OG1 2.93Å; H401-C422 WeakPolarHBondContact CE1-CA 3.31Å; H401-C422 WeakPolarHBondContact CE1-CB 2.8Å; H401-C422 WeakPolarHBondContact NE2-CA 3.03Å; H401-Y423 PolarHBondContact CE1-N 2.92Å; H401-Y423 PolarHBondContact CE1-O 3.12Å
402	S	78.8	Confident	87.6	Confident	74 Å²	74	36.6 Å²	36.6	52%	0.517	21%	0.209	S	C	.	.	S	Bend	trans	-78.7	-17.8	166.2	41.3	0	0	0	0	112.8	D497	S402-D497 PolarHBondContact OG-OD2 2.83Å
403	S	79.1	Confident	87.6	Confident	42 Å²	42	33.4 Å²	33.4	29%	0.294	19%	0.188	S	C	.	.	S	Bend	trans	-101	143.3	176.8	-175.6	0	0	0	0	112.6	H401 T405 G406	H401-S403 VanDerWaalsContact C-N 3.32Å; H401-S403 WeakPolarHBondContact CB-O 3.42Å; S403-T405 VanDerWaalsContact C-N 3.25Å; S403-T405 PolarHBondContact O-N 2.86Å; S403-T405 PolarHBondContact OG-N 2.94Å; S403-T405 PolarHBondContact OG-OG1 2.85Å; S403-G406 PolarHBondContact O-N 2.69Å
404	I	78.6	Confident	87.6	Confident	165 Å²	165	33.8 Å²	33.8	85%	0.846	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.3	172.6	60.6	167.5	0	0	0	113.1	G406	I404-G406 PolarHBondContact O-N 2.82Å
405	T	83.9	Confident	87.1	Confident	49 Å²	49	33.4 Å²	33.4	30%	0.301	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	6.1	177.2	55.1	0	0	0	0	113.1	S403 D424 L425 A426	S403-T405 VanDerWaalsContact C-N 3.25Å; S403-T405 PolarHBondContact O-N 2.86Å; S403-T405 PolarHBondContact OG-N 2.94Å; S403-T405 PolarHBondContact OG-OG1 2.85Å; T405-D424 PolarHBondContact OG1-OD1 3.24Å; T405-L425 PolarHBondContact O-N 3.44Å; T405-A426 HydrophobicContact CG2-CB 4.38Å
406	G	84.4	Confident	86.9	Confident	3 Å²	3	34.1 Å²	34.1	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	139.1	-179.4	0	0	0	0	0	113.3	R382 A383 H401 S403 I404	R382-G406 CarbonylContact C-O 3.58Å; R382-G406 VanDerWaalsContact C-O 3.28Å; A383-G406 VanDerWaalsContact CA-O 3.22Å; A383-G406 WeakPolarHBondContact CA-O 3.44Å; A383-G406 WeakPolarHBondContact CB-O 3.38Å; A383-G406 PolarHBondContact N-O 3.26Å; H401-G406 VanDerWaalsContact CE1-CA 3.47Å; H401-G406 WeakPolarHBondContact CE1-CA 3.36Å; H401-G406 WeakPolarHBondContact ND1-CA 3.42Å; S403-G406 PolarHBondContact O-N 2.69Å; I404-G406 PolarHBondContact O-N 2.82Å
407	V	89.1	Confident	87	Confident	10 Å²	10	33.7 Å²	33.7	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.4	178.5	176.9	0	0	0	0	110.3	H401 Y423 L425	H401-V407 PolarHBondContact CE1-N 3.32Å; H401-V407 VanDerWaalsContact CE1-N 3.3Å; H401-V407 VanDerWaalsContact NE2-C 3.33Å; H401-V407 PolarHBondContact NE2-N 3.3Å; H401-V407 PolarHBondContact NE2-O 3.5Å; V407-Y423 PolarHBondContact N-O 3.33Å; V407-Y423 PolarHBondContact O-N 2.8Å; V407-L425 HydrophobicContact CG2-CD1 3.54Å; V407-L425 HydrophobicContact CG2-CD2 4.18Å; V407-L425 HydrophobicContact CG2-CG 3.65Å
408	T	90.6	Very high	87.1	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.19	C	C	.	.			trans	-105.5	104.7	172.7	-50.4	0	0	0	0	110.3	A379 G381 R382 I385 N400 H401 V411 S421	A379-T408 HydrophobicContact CB-CG2 3.83Å; G381-T408 WeakPolarHBondContact CA-O 3.47Å; G381-T408 PolarHBondContact N-O 3.05Å; R382-T408 WeakPolarHBondContact O-CB 3.32Å; R382-T408 PolarHBondContact O-N 2.91Å; R382-T408 PolarHBondContact O-OG1 2.82Å; R382-T408 VanDerWaalsContact O-OG1 3.05Å; I385-T408 HydrophobicContact CD1-CG2 4.25Å; I385-T408 HydrophobicContact CG1-CG2 3.89Å; N400-T408 PolarHBondContact ND2-OG1 3.28Å; H401-T408 PolarHBondContact CD2-OG1 3.24Å; H401-T408 PolarHBondContact NE2-OG1 2.93Å; T408-V411 HydrophobicContact CG2-CG1 4.06Å; T408-S421 WeakPolarHBondContact CA-O 3.27Å; T408-S421 WeakPolarHBondContact CG2-O 3.35Å
409	D	89.1	Confident	87.4	Confident	19 Å²	19	30.1 Å²	30.1	10%	0.102	19%	0.191	C	C	.	.			trans	-89.5	-35.4	179.1	-67.8	-60.1	0	0	0	113.5	T368 S421 R453 I454	T368-D409 WeakPolarHBondContact CB-O 3.25Å; T368-D409 PolarHBondContact OG1-O 3.28Å; D409-S421 PolarHBondContact N-OG 3.27Å; D409-R453 VanDerWaalsContact CG-NH2 3.33Å; D409-R453 IonicContact OD1-CZ 3.91Å; D409-R453 IonicContact OD1-NE 3.28Å; D409-R453 IonicContact OD1-NH2 3.47Å; D409-R453 PolarHBondContact OD1-NH2 2.93Å; D409-R453 IonicContact OD2-CZ 2.82Å; D409-R453 IonicContact OD2-NE 2.78Å; D409-R453 PolarHBondContact OD2-NE 3.13Å; D409-R453 IonicContact OD2-NH2 3.44Å; D409-R453 PolarHBondContact OD2-NH2 3.04Å; D409-R453 VanDerWaalsContact OD2-NH2 3.15Å; D409-I454 WeakPolarHBondContact CB-O 3.45Å
410	C	90.1	Very high	87.6	Confident	8 Å²	8	28.1 Å²	28.1	5%	0.054	18%	0.179	C	C	.	.			trans	-129.2	137.6	-171.5	-61.4	0	0	0	0	111.3	S421 L455 C456 F457	C410-S421 PolarHBondContact N-OG 3.19Å; C410-S421 PolarHBondContact O-N 2.84Å; C410-S421 PolarHBondContact O-OG 3.13Å; C410-L455 PolarHBondContact SG-O 2.73Å; C410-C456 PolarHBondContact SG-N 2.82Å; C410-C456 VanDerWaalsContact SG-N 3.44Å; C410-F457 HydrophobicContact CB-CB 4.42Å
411	V	93.3	Very high	87.9	Confident	8 Å²	8	28.4 Å²	28.4	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.1	168.5	-76.1	0	0	0	0	109.4	T368 V377 A379 I385 T408 L418 I419	T368-V411 HydrophobicContact CG2-CG2 4.16Å; V377-V411 HydrophobicContact CG1-CB 4.18Å; V377-V411 HydrophobicContact CG1-CG1 4.26Å; V377-V411 HydrophobicContact CG1-CG2 4.12Å; A379-V411 HydrophobicContact CB-CB 4.26Å; A379-V411 HydrophobicContact CB-CG1 3.67Å; A379-V411 HydrophobicContact CB-CG2 3.72Å; I385-V411 HydrophobicContact CD1-CG1 3.73Å; I385-V411 HydrophobicContact CG1-CG1 3.93Å; I385-V411 HydrophobicContact CG2-CG1 4.36Å; T408-V411 HydrophobicContact CG2-CG1 4.06Å; V411-L418 HydrophobicContact CB-CD1 4.39Å; V411-I419 WeakPolarHBondContact CA-O 3.46Å
412	H	92.6	Very high	88.2	Confident	53 Å²	53	27.7 Å²	27.7	25%	0.245	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.4	178	-166.3	83.3	0	0	0	111.1	I419 F457	H412-I419 PolarHBondContact N-O 2.99Å; H412-I419 PolarHBondContact O-N 2.79Å; H412-F457 HydrophobicContact CB-CD1 3.39Å; H412-F457 HydrophobicContact CB-CE1 3.72Å; H412-F457 HydrophobicContact CB-CG 4.42Å; H412-F457 AromaticContact CD2-CD1 3.99Å; H412-F457 AromaticContact CD2-CE1 3.82Å; H412-F457 AromaticContact CG-CD1 3.65Å; H412-F457 AromaticContact CG-CE1 3.91Å
413	Q	91.2	Very high	88.8	Confident	28 Å²	28	26.6 Å²	26.6	13%	0.131	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.1	176.9	-64.7	-178.6	53.7	0	0	110.3	S370 I417 L418 L437	S370-Q413 PolarHBondContact O-NE2 2.8Å; S370-Q413 WeakPolarHBondContact OG-CG 3.38Å; S370-Q413 PolarHBondContact OG-N 3.36Å; Q413-I417 WeakPolarHBondContact CA-O 3.48Å; Q413-L418 HydrophobicContact CG-CB 4.46Å; Q413-L418 HydrophobicContact CG-CD1 3.7Å; Q413-L437 HydrophobicContact CB-CD1 4.09Å; Q413-L437 HydrophobicContact CG-CD1 3.9Å
414	T	88.1	Confident	89.2	Confident	20 Å²	20	25.9 Å²	25.9	12%	0.123	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	143	178.8	-172.2	0	0	0	0	110.4	G416 I417 I419 A459	T414-G416 PolarHBondContact O-N 3.25Å; T414-I417 HydrophobicContact CG2-CD1 4.15Å; T414-I417 HydrophobicContact CG2-CG1 3.9Å; T414-I417 PolarHBondContact N-O 2.78Å; T414-I417 WeakPolarHBondContact O-CG1 3.43Å; T414-I417 PolarHBondContact O-N 3.41Å; T414-I417 VanDerWaalsContact O-O 3.09Å; T414-I419 HydrophobicContact CG2-CD1 3.96Å; T414-A459 HydrophobicContact CG2-CB 3.73Å
415	G	80.2	Confident	89.6	Confident	60 Å²	60	23 Å²	23	62%	0.619	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	33.7	166.8	0	0	0	0	0	116.7
416	G	86.3	Confident	89.7	Confident	26 Å²	26	23.9 Å²	23.9	27%	0.268	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	8	-178.2	0	0	0	0	0	115.6	T414 L437	T414-G416 PolarHBondContact O-N 3.25Å; G416-L437 WeakPolarHBondContact O-CB 3.46Å; G416-L437 PolarHBondContact O-N 2.81Å
417	I	91.8	Very high	89.8	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	151.4	174.1	59.1	165.5	0	0	0	111.6	W158 Q413 T414 I419 L434 F435 L437 L443 W469	W158-I417 HydrophobicContact CH2-CD1 3.73Å; W158-I417 HydrophobicContact CZ2-CD1 3.73Å; W158-I417 HydrophobicContact CZ2-CG2 4.21Å; Q413-I417 WeakPolarHBondContact CA-O 3.48Å; T414-I417 HydrophobicContact CG2-CD1 4.15Å; T414-I417 HydrophobicContact CG2-CG1 3.9Å; T414-I417 PolarHBondContact N-O 2.78Å; T414-I417 WeakPolarHBondContact O-CG1 3.43Å; T414-I417 PolarHBondContact O-N 3.41Å; T414-I417 VanDerWaalsContact O-O 3.09Å; I417-I419 HydrophobicContact CD1-CD1 3.88Å; I417-I419 HydrophobicContact CD1-CG1 3.94Å; I417-I419 HydrophobicContact CG1-CG1 4.36Å; I417-L434 HydrophobicContact CD1-CD2 4.48Å; I417-F435 CarbonylContact C-O 3.56Å; I417-F435 VanDerWaalsContact CA-O 3.23Å; I417-F435 WeakPolarHBondContact CA-O 3.5Å; I417-L437 VanDerWaalsContact C-CD1 3.45Å; I417-L437 WeakPolarHBondContact O-CD1 3.38Å; I417-L443 HydrophobicContact CG2-CD1 3.81Å; I417-W469 HydrophobicContact CD1-CZ3 4.4Å
418	L	93.7	Very high	89.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.9	166.7	168.7	67.4	0	0	0	108.1	V377 L398 V411 Q413 L434 F435 L437	V377-L418 HydrophobicContact CG1-CD1 4.02Å; V377-L418 HydrophobicContact CG1-CD2 4.27Å; V377-L418 HydrophobicContact CG2-CD1 4.44Å; L398-L418 HydrophobicContact CD2-CD2 3.78Å; V411-L418 HydrophobicContact CB-CD1 4.39Å; Q413-L418 HydrophobicContact CG-CB 4.46Å; Q413-L418 HydrophobicContact CG-CD1 3.7Å; L418-L434 WeakPolarHBondContact O-CA 3.23Å; L418-F435 HydrophobicContact CB-CB 4.22Å; L418-F435 HydrophobicContact CD2-CD2 4.4Å; L418-F435 HydrophobicContact CG-CD2 4.4Å; L418-F435 PolarHBondContact N-O 3.48Å; L418-F435 PolarHBondContact O-N 3.01Å; L418-L437 HydrophobicContact CB-CD1 4.08Å; L418-L437 HydrophobicContact CB-CD2 4.04Å; L418-L437 HydrophobicContact CB-CG 4.07Å
419	I	94.4	Very high	89.3	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.9	179.5	-52.4	-179.6	0	0	0	107.5	V411 H412 T414 I417 L432 N433 L434 F457 W469	V411-I419 WeakPolarHBondContact CA-O 3.46Å; H412-I419 PolarHBondContact N-O 2.99Å; H412-I419 PolarHBondContact O-N 2.79Å; T414-I419 HydrophobicContact CG2-CD1 3.96Å; I417-I419 HydrophobicContact CD1-CD1 3.88Å; I417-I419 HydrophobicContact CD1-CG1 3.94Å; I417-I419 HydrophobicContact CG1-CG1 4.36Å; I419-L432 HydrophobicContact CG2-CB 4.45Å; I419-L432 HydrophobicContact CG2-CD2 4.15Å; I419-N433 WeakPolarHBondContact CA-O 3.48Å; I419-L434 HydrophobicContact CB-CD2 4.26Å; I419-L434 HydrophobicContact CD1-CD2 4.2Å; I419-L434 HydrophobicContact CG1-CD2 3.7Å; I419-L434 HydrophobicContact CG2-CD2 4.01Å; I419-F457 HydrophobicContact CB-CZ 4.4Å; I419-F457 HydrophobicContact CD1-CE1 3.96Å; I419-F457 HydrophobicContact CD1-CZ 3.59Å; I419-F457 HydrophobicContact CG2-CE2 4.24Å; I419-F457 HydrophobicContact CG2-CZ 4.02Å; I419-W469 HydrophobicContact CD1-CD2 4.35Å; I419-W469 HydrophobicContact CD1-CE3 3.63Å; I419-W469 HydrophobicContact CD1-CH2 4.3Å; I419-W469 HydrophobicContact CD1-CZ3 3.59Å
420	G	93.6	Very high	89.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.1	172.8	0	0	0	0	0	110.8	N433	G420-N433 PolarHBondContact N-O 3.08Å; G420-N433 PolarHBondContact O-N 2.93Å
421	S	93	Very high	89.5	Confident	6 Å²	6	36.3 Å²	36.3	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.6	167.1	63.8	0	0	0	0	109.7	N400 T408 D409 C410	N400-S421 PolarHBondContact ND2-O 2.78Å; T408-S421 WeakPolarHBondContact CA-O 3.27Å; T408-S421 WeakPolarHBondContact CG2-O 3.35Å; D409-S421 PolarHBondContact N-OG 3.27Å; C410-S421 PolarHBondContact N-OG 3.19Å; C410-S421 PolarHBondContact O-N 2.84Å; C410-S421 PolarHBondContact O-OG 3.13Å
422	C	91	Very high	89.5	Confident	5 Å²	5	36 Å²	36	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.7	175.8	-53.2	0	0	0	0	108.2	N400 H401 S430 S431 N433	N400-C422 PolarHBondContact ND2-SG 3.27Å; H401-C422 WeakPolarHBondContact CE1-CA 3.31Å; H401-C422 WeakPolarHBondContact CE1-CB 2.8Å; H401-C422 WeakPolarHBondContact NE2-CA 3.03Å; C422-S430 CarbonylContact O-C 3.53Å; C422-S430 WeakPolarHBondContact O-CA 3.28Å; C422-S431 WeakPolarHBondContact CB-O 3.48Å; C422-S431 VanDerWaalsContact CB-OG 3.25Å; C422-S431 WeakPolarHBondContact CB-OG 3.3Å; C422-S431 PolarHBondContact N-O 3.36Å; C422-S431 PolarHBondContact O-N 3.05Å; C422-N433 PolarHBondContact SG-ND2 2.9Å; C422-N433 VanDerWaalsContact SG-ND2 3.43Å
423	Y	91.1	Very high	89.5	Confident	51 Å²	51	33.7 Å²	33.7	20%	0.2	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127	167.5	-174.3	-113.1	0	0	0	110.3	H401 V407 L425 S430 R453	H401-Y423 PolarHBondContact CE1-N 2.92Å; H401-Y423 PolarHBondContact CE1-O 3.12Å; V407-Y423 PolarHBondContact N-O 3.33Å; V407-Y423 PolarHBondContact O-N 2.8Å; Y423-L425 HydrophobicContact CD1-CD2 3.96Å; Y423-L425 HydrophobicContact CE1-CD2 3.84Å; Y423-S430 VanDerWaalsContact CD2-OG 3.28Å; Y423-S430 WeakPolarHBondContact CD2-OG 3.49Å; Y423-R453 HydrophobicContact CD1-CB 4.39Å; Y423-R453 HydrophobicContact CD1-CG 4.02Å; Y423-R453 HydrophobicContact CD2-CB 3.74Å; Y423-R453 HydrophobicContact CD2-CG 4.03Å; Y423-R453 HydrophobicContact CE1-CB 4.48Å; Y423-R453 HydrophobicContact CE1-CG 4.48Å; Y423-R453 HydrophobicContact CE2-CB 3.86Å; Y423-R453 HydrophobicContact CE2-CG 4.49Å; Y423-R453 HydrophobicContact CG-CB 4.01Å; Y423-R453 HydrophobicContact CG-CG 3.76Å
424	D	88.3	Confident	89.6	Confident	27 Å²	27	32.4 Å²	32.4	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.4	173.4	-174.3	-7.3	0	0	0	110.1	T405 A426 N427 G428 E429	T405-D424 PolarHBondContact OG1-OD1 3.24Å; D424-A426 PolarHBondContact O-N 2.8Å; D424-A426 WeakPolarHBondContact OD1-CB 3.37Å; D424-A426 PolarHBondContact OD1-N 3.06Å; D424-N427 PolarHBondContact O-N 3.03Å; D424-N427 PolarHBondContact OD2-ND2 2.83Å; D424-G428 WeakPolarHBondContact O-CA 3.44Å; D424-G428 PolarHBondContact O-N 3.44Å; D424-E429 PolarHBondContact N-O 2.73Å
425	L	86.4	Confident	89.8	Confident	103 Å²	103	31.4 Å²	31.4	54%	0.539	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.8	180	-68.4	171.6	0	0	0	113.2	T405 V407 Y423	T405-L425 PolarHBondContact O-N 3.44Å; V407-L425 HydrophobicContact CG2-CD1 3.54Å; V407-L425 HydrophobicContact CG2-CD2 4.18Å; V407-L425 HydrophobicContact CG2-CG 3.65Å; Y423-L425 HydrophobicContact CD1-CD2 3.96Å; Y423-L425 HydrophobicContact CE1-CD2 3.84Å
426	A	86.4	Confident	90.3	Very high	69 Å²	69	28.9 Å²	28.9	57%	0.57	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-40.5	-177	0	0	0	0	0	111.9	T405 D424	T405-A426 HydrophobicContact CG2-CB 4.38Å; D424-A426 PolarHBondContact O-N 2.8Å; D424-A426 WeakPolarHBondContact OD1-CB 3.37Å; D424-A426 PolarHBondContact OD1-N 3.06Å
427	N	84.9	Confident	90.4	Very high	114 Å²	114	28.9 Å²	28.9	61%	0.61	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-16.8	-172.7	-61.8	-39.8	0	0	0	113	D424 E429	D424-N427 PolarHBondContact O-N 3.03Å; D424-N427 PolarHBondContact OD2-ND2 2.83Å; N427-E429 HydrophobicContact CB-CG 4.25Å; N427-E429 PolarHBondContact O-N 2.8Å
428	G	84.9	Confident	90.1	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	19%	0.191	S	C	.	.			trans	68.8	16.3	-174.3	0	0	0	0	0	113.6	D424	D424-G428 WeakPolarHBondContact O-CA 3.44Å; D424-G428 PolarHBondContact O-N 3.44Å
429	E	85.9	Confident	89.6	Confident	122 Å²	122	37 Å²	37	57%	0.57	21%	0.212	S	C	*	.			trans	-90	138.9	179.1	-67.4	-166.8	175.8	0	0	110.9	D424 N427	D424-E429 PolarHBondContact N-O 2.73Å; N427-E429 HydrophobicContact CB-CG 4.25Å; N427-E429 PolarHBondContact O-N 2.8Å
430	S	90.6	Very high	89.4	Confident	6 Å²	6	37.1 Å²	37.1	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.6	172.1	-40.6	0	0	0	0	111.8	C422 Y423 A451 P452 R453	C422-S430 CarbonylContact O-C 3.53Å; C422-S430 WeakPolarHBondContact O-CA 3.28Å; Y423-S430 VanDerWaalsContact CD2-OG 3.28Å; Y423-S430 WeakPolarHBondContact CD2-OG 3.49Å; S430-A451 WeakPolarHBondContact CB-O 3.42Å; S430-A451 WeakPolarHBondContact O-CB 3.44Å; S430-A451 PolarHBondContact OG-O 2.77Å; S430-P452 PolarHBondContact OG-O 3.12Å; S430-P452 VanDerWaalsContact OG-O 3.05Å; S430-R453 PolarHBondContact OG-N 3.23Å
431	S	91.3	Very high	89.2	Confident	24 Å²	24	41.8 Å²	41.8	17%	0.168	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.9	170.4	66.1	0	0	0	0	111.2	C422 L446	C422-S431 WeakPolarHBondContact CB-O 3.48Å; C422-S431 VanDerWaalsContact CB-OG 3.25Å; C422-S431 WeakPolarHBondContact CB-OG 3.3Å; C422-S431 PolarHBondContact N-O 3.36Å; C422-S431 PolarHBondContact O-N 3.05Å; S431-L446 CarbonylContact C-O 3.59Å; S431-L446 VanDerWaalsContact CA-O 3.28Å; S431-L446 WeakPolarHBondContact CA-O 3.13Å; S431-L446 WeakPolarHBondContact CB-O 3.45Å
432	L	93.3	Very high	89.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.9	167.9	-67.7	175.8	0	0	0	109	I419 S445 L446 W448 I454 F457 W469 T471 W479	I419-L432 HydrophobicContact CG2-CB 4.45Å; I419-L432 HydrophobicContact CG2-CD2 4.15Å; L432-S445 CarbonylContact O-C 3.52Å; L432-S445 WeakPolarHBondContact O-CA 3.44Å; L432-L446 HydrophobicContact CB-CB 4.21Å; L432-L446 PolarHBondContact N-O 2.92Å; L432-L446 PolarHBondContact O-N 2.81Å; L432-W448 HydrophobicContact CG-CH2 4.31Å; L432-W448 HydrophobicContact CG-CZ3 4.2Å; L432-I454 HydrophobicContact CD2-CD1 3.54Å; L432-I454 HydrophobicContact CG-CD1 4.07Å; L432-F457 HydrophobicContact CD1-CE2 4.41Å; L432-W469 HydrophobicContact CD1-CZ2 4.41Å; L432-T471 HydrophobicContact CD1-CG2 4.26Å; L432-W479 HydrophobicContact CD1-CH2 4.02Å; L432-W479 HydrophobicContact CD1-CZ2 4.06Å; L432-W479 HydrophobicContact CD1-CZ3 4.36Å
433	N	92.9	Very high	89	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.032	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.5	174.7	-75.5	-2	0	0	0	110.2	N400 I419 G420 C422 F435 S445	N400-N433 PolarHBondContact O-ND2 3.19Å; N400-N433 WeakPolarHBondContact OD1-CB 3.03Å; I419-N433 WeakPolarHBondContact CA-O 3.48Å; G420-N433 PolarHBondContact N-O 3.08Å; G420-N433 PolarHBondContact O-N 2.93Å; C422-N433 PolarHBondContact SG-ND2 2.9Å; C422-N433 VanDerWaalsContact SG-ND2 3.43Å; N433-F435 HydrophobicContact CB-CE2 3.72Å; N433-F435 HydrophobicContact CB-CZ 4Å; N433-S445 VanDerWaalsContact OD1-CB 3.3Å; N433-S445 WeakPolarHBondContact OD1-CB 3.21Å; N433-S445 PolarHBondContact OD1-OG 2.89Å
434	L	93.1	Very high	88.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.6	-178.9	-54.4	-177.8	0	0	0	109.5	W158 I417 L418 I419 L443 A444 L446 W469	W158-L434 HydrophobicContact CD2-CD1 4.01Å; W158-L434 HydrophobicContact CE3-CD1 3.36Å; W158-L434 HydrophobicContact CH2-CD1 4.34Å; W158-L434 HydrophobicContact CZ3-CD1 3.53Å; I417-L434 HydrophobicContact CD1-CD2 4.48Å; L418-L434 WeakPolarHBondContact O-CA 3.23Å; I419-L434 HydrophobicContact CB-CD2 4.26Å; I419-L434 HydrophobicContact CD1-CD2 4.2Å; I419-L434 HydrophobicContact CG1-CD2 3.7Å; I419-L434 HydrophobicContact CG2-CD2 4.01Å; L434-L443 HydrophobicContact CB-CB 4.16Å; L434-L443 WeakPolarHBondContact O-CB 3.37Å; L434-L443 PolarHBondContact O-N 3.03Å; L434-A444 PolarHBondContact N-O 2.61Å; L434-L446 HydrophobicContact CD1-CD1 4.03Å; L434-L446 HydrophobicContact CD1-CD2 4.37Å; L434-L446 HydrophobicContact CD1-CG 4.14Å; L434-L446 HydrophobicContact CD2-CD1 4.5Å; L434-L446 HydrophobicContact CG-CD1 4.44Å; L434-L446 HydrophobicContact CG-CG 4.42Å; L434-W469 HydrophobicContact CD2-CH2 4.32Å
435	F	92.5	Very high	89.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.3	176.2	-53.9	-94.7	0	0	0	109.9	L398 N400 I417 L418 N433 R441 Y442 M500	L398-F435 HydrophobicContact CD1-CD1 4.09Å; L398-F435 HydrophobicContact CD1-CE1 3.99Å; L398-F435 HydrophobicContact CD2-CD1 4.06Å; L398-F435 HydrophobicContact CD2-CD2 4.24Å; L398-F435 HydrophobicContact CD2-CE1 4.14Å; L398-F435 HydrophobicContact CD2-CE2 4.32Å; L398-F435 HydrophobicContact CD2-CG 4.12Å; L398-F435 HydrophobicContact CD2-CZ 4.27Å; L398-F435 HydrophobicContact CG-CD1 4.47Å; L398-F435 HydrophobicContact CG-CE1 4.2Å; L398-F435 HydrophobicContact CG-CZ 4.46Å; N400-F435 WeakPolarHBondContact OD1-CE2 3.36Å; I417-F435 CarbonylContact C-O 3.56Å; I417-F435 VanDerWaalsContact CA-O 3.23Å; I417-F435 WeakPolarHBondContact CA-O 3.5Å; L418-F435 HydrophobicContact CB-CB 4.22Å; L418-F435 HydrophobicContact CD2-CD2 4.4Å; L418-F435 HydrophobicContact CG-CD2 4.4Å; L418-F435 PolarHBondContact N-O 3.48Å; L418-F435 PolarHBondContact O-N 3.01Å; N433-F435 HydrophobicContact CB-CE2 3.72Å; N433-F435 HydrophobicContact CB-CZ 4Å; F435-R441 CarbonylContact C-O 3.49Å; F435-R441 VanDerWaalsContact CA-O 3.27Å; F435-R441 WeakPolarHBondContact CA-O 3.27Å; F435-Y442 HydrophobicContact CE1-CD2 4.22Å; F435-M500 HydrophobicContact CE1-CE 4.19Å; F435-M500 HydrophobicContact CZ-CE 4.02Å
436	S	91.5	Very high	89.3	Confident	6 Å²	6	33.5 Å²	33.5	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	147.9	172.9	68.6	0	0	0	0	110.7	C440 R441	S436-C440 WeakPolarHBondContact O-CA 2.97Å; S436-C440 PolarHBondContact O-N 3.14Å; S436-R441 PolarHBondContact N-O 3.09Å; S436-R441 PolarHBondContact OG-N 2.8Å; S436-R441 PolarHBondContact OG-O 3.35Å
437	L	88.6	Confident	89.4	Confident	26 Å²	26	31 Å²	31	14%	0.136	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	145.3	171.3	-68.1	169.5	0	0	0	109.7	Q413 G416 I417 L418	Q413-L437 HydrophobicContact CB-CD1 4.09Å; Q413-L437 HydrophobicContact CG-CD1 3.9Å; G416-L437 WeakPolarHBondContact O-CB 3.46Å; G416-L437 PolarHBondContact O-N 2.81Å; I417-L437 VanDerWaalsContact C-CD1 3.45Å; I417-L437 WeakPolarHBondContact O-CD1 3.38Å; L418-L437 HydrophobicContact CB-CD1 4.08Å; L418-L437 HydrophobicContact CB-CD2 4.04Å; L418-L437 HydrophobicContact CB-CG 4.07Å
438	P	84	Confident	89.7	Confident	78 Å²	78	26.7 Å²	26.7	51%	0.506	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.4	-12.8	8.7	32.7	-36.5	0	0	0	116.5	C440	P438-C440 VanDerWaalsContact C-N 3.28Å; P438-C440 PolarHBondContact O-N 3.44Å
439	Q	84.4	Confident	89.5	Confident	97 Å²	97	29.9 Å²	29.9	45%	0.453	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.8	-170.1	-63.3	79.8	5.9	0	0	115	R441 L505	Q439-R441 VanDerWaalsContact C-N 3.26Å; Q439-R441 HydrophobicContact CB-CG 4.01Å; Q439-R441 PolarHBondContact O-N 3.19Å; Q439-L505 WeakPolarHBondContact O-CD1 3.36Å
440	C	88.9	Confident	89.3	Confident	4 Å²	4	31.7 Å²	31.7	3%	0.027	17%	0.171	C	C	.	.			trans	55.4	35.7	-178.6	-55.6	0	0	0	0	114	I387 L398 S436 P438 L505	I387-C440 HydrophobicContact CD1-CB 4.49Å; I387-C440 VanDerWaalsContact CD1-SG 3.55Å; L398-C440 HydrophobicContact CD1-CB 4.12Å; L398-C440 HydrophobicContact CD2-CB 4.06Å; S436-C440 WeakPolarHBondContact O-CA 2.97Å; S436-C440 PolarHBondContact O-N 3.14Å; P438-C440 VanDerWaalsContact C-N 3.28Å; P438-C440 PolarHBondContact O-N 3.44Å; C440-L505 HydrophobicContact CB-CD1 3.83Å; C440-L505 HydrophobicContact CB-CD2 3.83Å; C440-L505 HydrophobicContact CB-CG 3.93Å
441	R	89.6	Confident	89	Confident	99 Å²	99	32 Å²	32	37%	0.374	17%	0.174	S	C	.	.			trans	-79.8	134.1	178.3	-63.6	173.7	67.3	179.8	6.3	110.1	F151 F435 S436 Q439 L443	F151-R441 VanDerWaalsContact CD1-NH1 3.3Å; F151-R441 HydrophobicContact CD2-CB 4.2Å; F151-R441 VanDerWaalsContact CE1-NH2 3.28Å; F151-R441 HydrophobicContact CE2-CB 3.37Å; F151-R441 HydrophobicContact CE2-CG 4.3Å; F151-R441 VanDerWaalsContact CG-NH1 3.29Å; F151-R441 HydrophobicContact CZ-CB 3.6Å; F435-R441 CarbonylContact C-O 3.49Å; F435-R441 VanDerWaalsContact CA-O 3.27Å; F435-R441 WeakPolarHBondContact CA-O 3.27Å; S436-R441 PolarHBondContact N-O 3.09Å; S436-R441 PolarHBondContact OG-N 2.8Å; S436-R441 PolarHBondContact OG-O 3.35Å; Q439-R441 VanDerWaalsContact C-N 3.26Å; Q439-R441 HydrophobicContact CB-CG 4.01Å; Q439-R441 PolarHBondContact O-N 3.19Å; R441-L443 PolarHBondContact O-N 2.95Å
442	Y	90.9	Very high	88.8	Confident	7 Å²	7	32 Å²	32	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130	179.6	173.1	-101.2	0	0	0	112.2	F435 A444 S445 K495 D497 M500 D501	F435-Y442 HydrophobicContact CE1-CD2 4.22Å; Y442-A444 VanDerWaalsContact OH-C 3.29Å; Y442-S445 WeakPolarHBondContact CE2-OG 3.38Å; Y442-S445 WeakPolarHBondContact OH-CB 3.45Å; Y442-S445 PolarHBondContact OH-N 2.93Å; Y442-S445 PolarHBondContact OH-OG 2.81Å; Y442-K495 PolarHBondContact OH-O 2.93Å; Y442-D497 PolarHBondContact OH-N 3.02Å; Y442-M500 WeakPolarHBondContact CB-O 3.48Å; Y442-M500 HydrophobicContact CD1-CB 3.85Å; Y442-M500 HydrophobicContact CD2-CB 3.82Å; Y442-M500 HydrophobicContact CD2-CE 4.38Å; Y442-M500 HydrophobicContact CE1-CB 3.98Å; Y442-M500 HydrophobicContact CE2-CB 3.94Å; Y442-M500 HydrophobicContact CE2-CG 4.45Å; Y442-M500 HydrophobicContact CG-CB 3.78Å; Y442-D501 WeakPolarHBondContact CD1-OD1 3.23Å
443	L	88.8	Confident	88.8	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-57.9	178.8	-66.9	170.9	0	0	0	110.9	F151 L154 K155 W158 I417 L434 R441	F151-L443 HydrophobicContact CD2-CD2 4.34Å; F151-L443 HydrophobicContact CE2-CD2 3.68Å; F151-L443 HydrophobicContact CZ-CD2 4.26Å; L154-L443 HydrophobicContact CD2-CD1 4.5Å; L154-L443 HydrophobicContact CD2-CD2 4.26Å; L154-L443 HydrophobicContact CG-CD2 4.18Å; K155-L443 HydrophobicContact CB-CD2 4.16Å; W158-L443 HydrophobicContact CG-CD1 4.44Å; I417-L443 HydrophobicContact CG2-CD1 3.81Å; L434-L443 HydrophobicContact CB-CB 4.16Å; L434-L443 WeakPolarHBondContact O-CB 3.37Å; L434-L443 PolarHBondContact O-N 3.03Å; R441-L443 PolarHBondContact O-N 2.95Å
444	A	90.3	Very high	88.8	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	154.8	-171.4	0	0	0	0	0	112.5	W158 L434 Y442 V494	W158-A444 HydrophobicContact CB-CB 4.44Å; L434-A444 PolarHBondContact N-O 2.61Å; Y442-A444 VanDerWaalsContact OH-C 3.29Å; A444-V494 HydrophobicContact CB-CG1 3.71Å
445	S	91	Very high	88.7	Confident	8 Å²	8	37.3 Å²	37.3	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.9	169.6	-66.8	0	0	0	0	109.8	L432 N433 Y442 K495	L432-S445 CarbonylContact O-C 3.52Å; L432-S445 WeakPolarHBondContact O-CA 3.44Å; N433-S445 VanDerWaalsContact OD1-CB 3.3Å; N433-S445 WeakPolarHBondContact OD1-CB 3.21Å; N433-S445 PolarHBondContact OD1-OG 2.89Å; Y442-S445 WeakPolarHBondContact CE2-OG 3.38Å; Y442-S445 WeakPolarHBondContact OH-CB 3.45Å; Y442-S445 PolarHBondContact OH-N 2.93Å; Y442-S445 PolarHBondContact OH-OG 2.81Å; S445-K495 PolarHBondContact N-O 3.38Å; S445-K495 PolarHBondContact O-N 2.88Å
446	L	91.3	Very high	88.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.1	175.7	-51.3	-178.6	0	0	0	109.4	F163 S431 L432 L434 W469 W479 V492 V494	F163-L446 HydrophobicContact CD2-CD1 4.26Å; F163-L446 HydrophobicContact CE2-CD1 3.95Å; F163-L446 HydrophobicContact CE2-CD2 4.44Å; S431-L446 CarbonylContact C-O 3.59Å; S431-L446 VanDerWaalsContact CA-O 3.28Å; S431-L446 WeakPolarHBondContact CA-O 3.13Å; S431-L446 WeakPolarHBondContact CB-O 3.45Å; L432-L446 HydrophobicContact CB-CB 4.21Å; L432-L446 PolarHBondContact N-O 2.92Å; L432-L446 PolarHBondContact O-N 2.81Å; L434-L446 HydrophobicContact CD1-CD1 4.03Å; L434-L446 HydrophobicContact CD1-CD2 4.37Å; L434-L446 HydrophobicContact CD1-CG 4.14Å; L434-L446 HydrophobicContact CD2-CD1 4.5Å; L434-L446 HydrophobicContact CG-CD1 4.44Å; L434-L446 HydrophobicContact CG-CG 4.42Å; L446-W469 HydrophobicContact CD1-CH2 3.87Å; L446-W469 HydrophobicContact CD1-CZ2 3.53Å; L446-W479 HydrophobicContact CB-CZ3 4.26Å; L446-W479 HydrophobicContact CD1-CZ3 4.08Å; L446-V492 HydrophobicContact CB-CG1 3.86Å; L446-V492 HydrophobicContact CD2-CG1 4.24Å; L446-V494 HydrophobicContact CD2-CB 4.48Å; L446-V494 HydrophobicContact CD2-CG1 4.39Å; L446-V494 HydrophobicContact CD2-CG2 3.79Å
447	T	89.6	Confident	88.8	Confident	16 Å²	16	38.7 Å²	38.7	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.5	177.7	49.9	0	0	0	0	109.8	V492 T493 K495	T447-V492 WeakPolarHBondContact O-CG1 3.38Å; T447-T493 PolarHBondContact N-O 2.68Å; T447-T493 PolarHBondContact O-N 3.35Å; T447-T493 PolarHBondContact O-OG1 2.93Å; T447-T493 VanDerWaalsContact O-OG1 3.09Å; T447-T493 PolarHBondContact OG1-O 2.8Å; T447-T493 PolarHBondContact OG1-OG1 3.23Å; T447-K495 HydrophobicContact CG2-CD 3.93Å; T447-K495 HydrophobicContact CG2-CG 4.44Å; T447-K495 WeakPolarHBondContact OG1-CE 3.23Å
448	W	89.8	Confident	89	Confident	23 Å²	23	38 Å²	38	9%	0.087	20%	0.2	C	C	.	.			trans	-149.8	160	179	64.3	101	0	0	0	109.8	L165 L432 A451 I454 W479 V492	L165-W448 HydrophobicContact CD1-CB 3.71Å; L165-W448 HydrophobicContact CD1-CG 3.74Å; L432-W448 HydrophobicContact CG-CH2 4.31Å; L432-W448 HydrophobicContact CG-CZ3 4.2Å; W448-A451 HydrophobicContact CD2-CB 3.72Å; W448-A451 HydrophobicContact CE3-CB 4.25Å; W448-A451 HydrophobicContact CG-CB 4.15Å; W448-A451 HydrophobicContact CH2-CB 4.09Å; W448-A451 HydrophobicContact CZ2-CB 3.55Å; W448-A451 HydrophobicContact CZ3-CB 4.43Å; W448-I454 HydrophobicContact CH2-CD1 3.67Å; W448-I454 HydrophobicContact CZ2-CD1 4.13Å; W448-W479 AromaticContact CD2-CH2 3.68Å; W448-W479 HydrophobicContact CD2-CH2 3.68Å; W448-W479 AromaticContact CD2-CZ2 3.66Å; W448-W479 HydrophobicContact CD2-CZ2 3.66Å; W448-W479 AromaticContact CE2-CZ2 3.75Å; W448-W479 AromaticContact CE3-CH2 3.23Å; W448-W479 HydrophobicContact CE3-CH2 3.23Å; W448-W479 AromaticContact CE3-CZ2 3.58Å; W448-W479 HydrophobicContact CE3-CZ2 3.58Å; W448-W479 HydrophobicContact CE3-CZ3 4.45Å; W448-W479 HydrophobicContact CG-CH2 4.41Å; W448-W479 HydrophobicContact CG-CZ2 4.45Å; W448-W479 HydrophobicContact CH2-CH2 4.09Å; W448-W479 AromaticContact CH2-CZ2 3.75Å; W448-W479 HydrophobicContact CH2-CZ2 3.75Å; W448-W479 HydrophobicContact CZ2-CH2 4.44Å; W448-W479 AromaticContact CZ2-CZ2 3.8Å; W448-W479 HydrophobicContact CZ2-CZ2 3.8Å; W448-W479 AromaticContact CZ3-CH2 3.46Å; W448-W479 HydrophobicContact CZ3-CH2 3.46Å; W448-W479 VanDerWaalsContact CZ3-CH2 3.46Å; W448-W479 AromaticContact CZ3-CZ2 3.62Å; W448-W479 HydrophobicContact CZ3-CZ2 3.62Å; W448-V492 HydrophobicContact CB-CG2 4.44Å
449	P	81.6	Confident	89.4	Confident	101 Å²	101	35 Å²	35	66%	0.656	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	144.1	-179.8	-21.6	34	0	0	0	112.4	A451	P449-A451 VanDerWaalsContact C-N 3.25Å; P449-A451 PolarHBondContact O-N 2.82Å
450	D	82.3	Confident	89.7	Confident	161 Å²	161	32.2 Å²	32.2	86%	0.861	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.8	175.4	-57.4	-37	0	0	0	113.9	P452	D450-P452 WeakPolarHBondContact O-CD 3.47Å
451	A	83.5	Confident	89.6	Confident	12 Å²	12	35.6 Å²	35.6	10%	0.099	19%	0.189	C	C	.	.			trans	-68	111.3	-172.4	0	0	0	0	0	113.1	S430 W448 P449	S430-A451 WeakPolarHBondContact CB-O 3.42Å; S430-A451 WeakPolarHBondContact O-CB 3.44Å; S430-A451 PolarHBondContact OG-O 2.77Å; W448-A451 HydrophobicContact CD2-CB 3.72Å; W448-A451 HydrophobicContact CE3-CB 4.25Å; W448-A451 HydrophobicContact CG-CB 4.15Å; W448-A451 HydrophobicContact CH2-CB 4.09Å; W448-A451 HydrophobicContact CZ2-CB 3.55Å; W448-A451 HydrophobicContact CZ3-CB 4.43Å; P449-A451 VanDerWaalsContact C-N 3.25Å; P449-A451 PolarHBondContact O-N 2.82Å
452	P	87.8	Confident	89.3	Confident	24 Å²	24	31.9 Å²	31.9	16%	0.156	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-77	155.2	179.1	33.1	-35.1	0	0	0	111.4	S430 D450 I454 R474 D475	S430-P452 PolarHBondContact OG-O 3.12Å; S430-P452 VanDerWaalsContact OG-O 3.05Å; D450-P452 WeakPolarHBondContact O-CD 3.47Å; P452-I454 PolarHBondContact O-N 3.31Å; P452-R474 HydrophobicContact CB-CB 4.11Å; P452-D475 HydrophobicContact CG-CB 4.06Å
453	R	91.6	Very high	88.7	Confident	69 Å²	69	36.1 Å²	36.1	26%	0.26	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-55	128.6	173	-173.9	174.1	178.2	-178.8	-3.6	110.9	D409 Y423 S430 L455	D409-R453 VanDerWaalsContact CG-NH2 3.33Å; D409-R453 IonicContact OD1-CZ 3.91Å; D409-R453 IonicContact OD1-NE 3.28Å; D409-R453 IonicContact OD1-NH2 3.47Å; D409-R453 PolarHBondContact OD1-NH2 2.93Å; D409-R453 IonicContact OD2-CZ 2.82Å; D409-R453 IonicContact OD2-NE 2.78Å; D409-R453 PolarHBondContact OD2-NE 3.13Å; D409-R453 IonicContact OD2-NH2 3.44Å; D409-R453 PolarHBondContact OD2-NH2 3.04Å; D409-R453 VanDerWaalsContact OD2-NH2 3.15Å; Y423-R453 HydrophobicContact CD1-CB 4.39Å; Y423-R453 HydrophobicContact CD1-CG 4.02Å; Y423-R453 HydrophobicContact CD2-CB 3.74Å; Y423-R453 HydrophobicContact CD2-CG 4.03Å; Y423-R453 HydrophobicContact CE1-CB 4.48Å; Y423-R453 HydrophobicContact CE1-CG 4.48Å; Y423-R453 HydrophobicContact CE2-CB 3.86Å; Y423-R453 HydrophobicContact CE2-CG 4.49Å; Y423-R453 HydrophobicContact CG-CB 4.01Å; Y423-R453 HydrophobicContact CG-CG 3.76Å; S430-R453 PolarHBondContact OG-N 3.23Å; R453-L455 HydrophobicContact CG-CD2 4.11Å
454	I	93.5	Very high	88.2	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.2	-177.7	-61.3	173.2	0	0	0	109.3	D409 L432 W448 P452 T471	D409-I454 WeakPolarHBondContact CB-O 3.45Å; L432-I454 HydrophobicContact CD2-CD1 3.54Å; L432-I454 HydrophobicContact CG-CD1 4.07Å; W448-I454 HydrophobicContact CH2-CD1 3.67Å; W448-I454 HydrophobicContact CZ2-CD1 4.13Å; P452-I454 PolarHBondContact O-N 3.31Å; I454-T471 HydrophobicContact CD1-CG2 3.64Å; I454-T471 HydrophobicContact CG1-CG2 4.3Å; I454-T471 HydrophobicContact CG2-CG2 4.35Å
455	L	91.8	Very high	87.7	Confident	43 Å²	43	42.5 Å²	42.5	23%	0.225	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-15	-177.6	-59	179.1	0	0	0	113.6	I174 R366 C410 R453 G472	I174-L455 HydrophobicContact CG2-CD1 3.56Å; R366-L455 PolarHBondContact NH1-O 3.32Å; R366-L455 VanDerWaalsContact NH1-O 3.1Å; C410-L455 PolarHBondContact SG-O 2.73Å; R453-L455 HydrophobicContact CG-CD2 4.11Å; L455-G472 PolarHBondContact N-O 3.1Å
456	C	92.3	Very high	87.4	Confident	10 Å²	10	44.4 Å²	44.4	7%	0.068	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.1	170.6	62.8	0	0	0	0	111.6	T176 V178 C410 G472	T176-C456 WeakPolarHBondContact O-CB 3.36Å; V178-C456 HydrophobicContact CG1-CB 4.27Å; C410-C456 PolarHBondContact SG-N 2.82Å; C410-C456 VanDerWaalsContact SG-N 3.44Å; C456-G472 PolarHBondContact N-O 3.08Å; C456-G472 PolarHBondContact O-N 2.91Å; C456-G472 VanDerWaalsContact SG-CA 3.5Å
457	F	93.8	Very high	87.3	Confident	25 Å²	25	45.7 Å²	45.7	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.9	-173.8	-174.2	-89.7	0	0	0	111.1	C410 H412 I419 L432 A459 W469 V470 T471	C410-F457 HydrophobicContact CB-CB 4.42Å; H412-F457 HydrophobicContact CB-CD1 3.39Å; H412-F457 HydrophobicContact CB-CE1 3.72Å; H412-F457 HydrophobicContact CB-CG 4.42Å; H412-F457 AromaticContact CD2-CD1 3.99Å; H412-F457 AromaticContact CD2-CE1 3.82Å; H412-F457 AromaticContact CG-CD1 3.65Å; H412-F457 AromaticContact CG-CE1 3.91Å; I419-F457 HydrophobicContact CB-CZ 4.4Å; I419-F457 HydrophobicContact CD1-CE1 3.96Å; I419-F457 HydrophobicContact CD1-CZ 3.59Å; I419-F457 HydrophobicContact CG2-CE2 4.24Å; I419-F457 HydrophobicContact CG2-CZ 4.02Å; L432-F457 HydrophobicContact CD1-CE2 4.41Å; F457-A459 HydrophobicContact CD1-CB 4.47Å; F457-A459 HydrophobicContact CE1-CB 3.5Å; F457-A459 HydrophobicContact CZ-CB 3.98Å; F457-W469 HydrophobicContact CE1-CB 4.18Å; F457-W469 HydrophobicContact CE2-CB 3.94Å; F457-W469 AromaticContact CE2-CD1 3.64Å; F457-W469 HydrophobicContact CE2-CD2 4.2Å; F457-W469 AromaticContact CE2-CG 3.69Å; F457-W469 HydrophobicContact CE2-CG 3.69Å; F457-W469 HydrophobicContact CZ-CB 3.51Å; F457-W469 AromaticContact CZ-CD1 3.95Å; F457-W469 AromaticContact CZ-CD2 3.8Å; F457-W469 HydrophobicContact CZ-CD2 3.8Å; F457-W469 HydrophobicContact CZ-CE3 4.19Å; F457-W469 AromaticContact CZ-CG 3.49Å; F457-W469 HydrophobicContact CZ-CG 3.49Å; F457-W469 VanDerWaalsContact CZ-CG 3.49Å; F457-V470 WeakPolarHBondContact CA-O 3.36Å; F457-T471 HydrophobicContact CD2-CG2 3.79Å; F457-T471 HydrophobicContact CE2-CG2 3.99Å
458	A	93.1	Very high	87.4	Confident	10 Å²	10	47 Å²	47	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	132.4	166.4	0	0	0	0	0	110.1	V178 W469 V470	V178-A458 HydrophobicContact CG1-CB 3.93Å; A458-W469 CarbonylContact O-C 3.6Å; A458-W469 WeakPolarHBondContact O-CA 3.35Å; A458-W469 VanDerWaalsContact O-CB 3.25Å; A458-W469 WeakPolarHBondContact O-CB 3.43Å; A458-V470 HydrophobicContact CB-CG1 3.93Å; A458-V470 PolarHBondContact N-O 3.11Å; A458-V470 PolarHBondContact O-N 2.94Å
459	A	92	Very high	87.5	Confident	17 Å²	17	45.9 Å²	45.9	14%	0.14	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151	176.2	0	0	0	0	0	112.2	T414 F457 R468 W469	T414-A459 HydrophobicContact CG2-CB 3.73Å; F457-A459 HydrophobicContact CD1-CB 4.47Å; F457-A459 HydrophobicContact CE1-CB 3.5Å; F457-A459 HydrophobicContact CZ-CB 3.98Å; A459-R468 WeakPolarHBondContact CA-O 3.39Å; A459-W469 HydrophobicContact CB-CB 3.66Å; A459-W469 HydrophobicContact CB-CE3 4.49Å
460	W	90.5	Very high	88.1	Confident	38 Å²	38	41 Å²	41	14%	0.144	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162	173.1	69.1	104.8	0	0	0	110.1	A180 V185 V199 R468 V470	A180-W460 HydrophobicContact CB-CD2 3.78Å; A180-W460 HydrophobicContact CB-CE3 3.33Å; A180-W460 HydrophobicContact CB-CG 4.38Å; A180-W460 HydrophobicContact CB-CH2 4.39Å; A180-W460 HydrophobicContact CB-CZ3 3.69Å; V185-W460 HydrophobicContact CG2-CH2 3.8Å; V185-W460 HydrophobicContact CG2-CZ3 4.25Å; V199-W460 HydrophobicContact CG1-CZ2 4.35Å; V199-W460 HydrophobicContact CG2-CH2 4.18Å; V199-W460 HydrophobicContact CG2-CZ2 4.08Å; W460-R468 HydrophobicContact CD2-CB 3.95Å; W460-R468 VanDerWaalsContact CE2-CB 3.48Å; W460-R468 HydrophobicContact CE3-CB 4.4Å; W460-R468 HydrophobicContact CH2-CB 4.04Å; W460-R468 HydrophobicContact CZ2-CB 3.55Å; W460-R468 HydrophobicContact CZ2-CG 4.39Å; W460-R468 HydrophobicContact CZ3-CB 4.44Å; W460-R468 PolarHBondContact N-O 3.36Å; W460-R468 PolarHBondContact O-N 3.25Å; W460-V470 HydrophobicContact CZ3-CB 4.44Å; W460-V470 HydrophobicContact CZ3-CG1 4.16Å
461	T	86.6	Confident	88.7	Confident	75 Å²	75	33.6 Å²	33.6	46%	0.46	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.6	172	49.2	0	0	0	0	109.4
462	T	83.1	Confident	89.2	Confident	20 Å²	20	33.1 Å²	33.1	12%	0.123	22%	0.215	C	C	.	.			trans	-78.1	164.5	172.5	58.9	0	0	0	0	110.5	S464 G465 D466 R468	T462-S464 PolarHBondContact O-N 3.47Å; T462-S464 VanDerWaalsContact O-N 3.14Å; T462-S464 PolarHBondContact OG1-OG 2.83Å; T462-G465 PolarHBondContact O-N 3.13Å; T462-D466 PolarHBondContact N-O 3.22Å; T462-D466 WeakPolarHBondContact OG1-CB 3.47Å; T462-D466 PolarHBondContact OG1-N 3.48Å; T462-D466 VanDerWaalsContact OG1-N 3.1Å; T462-D466 PolarHBondContact OG1-O 3.37Å; T462-R468 VanDerWaalsContact CG2-CD 3.43Å; T462-R468 HydrophobicContact CG2-CG 3.73Å; T462-R468 VanDerWaalsContact CG2-CZ 3.49Å
463	G	77.9	Confident	89.5	Confident	96 Å²	96	32 Å²	32	99%	0.99	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.6	175.4	0	0	0	0	0	114.3	G465	G463-G465 VanDerWaalsContact C-N 3.32Å
464	S	79.1	Confident	89.5	Confident	90 Å²	90	38.4 Å²	38.4	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.6	172.3	48.5	0	0	0	0	113.7	T462 D466	T462-S464 PolarHBondContact O-N 3.47Å; T462-S464 VanDerWaalsContact O-N 3.14Å; T462-S464 PolarHBondContact OG1-OG 2.83Å; S464-D466 WeakPolarHBondContact CB-OD2 3.45Å; S464-D466 PolarHBondContact OG-OD2 3.34Å
465	G	79.9	Confident	89.5	Confident	48 Å²	48	40.9 Å²	40.9	50%	0.495	25%	0.245	S	C	.	.	S	Bend	trans	90.4	-4.1	-174.5	0	0	0	0	0	114.3	T462 G463	T462-G465 PolarHBondContact O-N 3.13Å; G463-G465 VanDerWaalsContact C-N 3.32Å
466	D	84.7	Confident	89.6	Confident	48 Å²	48	39 Å²	39	26%	0.257	24%	0.236	S	C	.	.			trans	-72.9	141.7	177.5	-55.8	-60.5	0	0	0	111	T462 S464 Q481	T462-D466 PolarHBondContact N-O 3.22Å; T462-D466 WeakPolarHBondContact OG1-CB 3.47Å; T462-D466 PolarHBondContact OG1-N 3.48Å; T462-D466 VanDerWaalsContact OG1-N 3.1Å; T462-D466 PolarHBondContact OG1-O 3.37Å; S464-D466 WeakPolarHBondContact CB-OD2 3.45Å; S464-D466 PolarHBondContact OG-OD2 3.34Å; D466-Q481 HydrophobicContact CB-CB 4.42Å
467	H	88.1	Confident	89.7	Confident	26 Å²	26	39.1 Å²	39.1	12%	0.12	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	133.9	178.2	-65.1	-79.8	0	0	0	111.5	W158 W469 Q481	W158-H467 AromaticContact CH2-CD2 3.47Å; W158-H467 VanDerWaalsContact CH2-CD2 3.47Å; W158-H467 WeakPolarHBondContact CH2-CD2 3.33Å; W158-H467 AromaticContact CH2-CG 3.97Å; W158-H467 AromaticContact CH2-NE2 3.83Å; W158-H467 AromaticContact CZ2-CD2 3.63Å; W158-H467 AromaticContact CZ2-NE2 3.51Å; H467-W469 HydrophobicContact CB-CE3 4.4Å; H467-W469 HydrophobicContact CB-CZ3 4.21Å; H467-Q481 HydrophobicContact CB-CB 4.44Å; H467-Q481 PolarHBondContact CD2-OE1 3.19Å; H467-Q481 WeakPolarHBondContact O-CB 3.41Å; H467-Q481 PolarHBondContact O-N 3.46Å
468	R	91.4	Very high	89.7	Confident	43 Å²	43	38.1 Å²	38.1	16%	0.162	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.6	166.6	-72.6	-176.1	-179.1	157	0.8	109.5	A459 W460 T462 W479 E480	A459-R468 WeakPolarHBondContact CA-O 3.39Å; W460-R468 HydrophobicContact CD2-CB 3.95Å; W460-R468 VanDerWaalsContact CE2-CB 3.48Å; W460-R468 HydrophobicContact CE3-CB 4.4Å; W460-R468 HydrophobicContact CH2-CB 4.04Å; W460-R468 HydrophobicContact CZ2-CB 3.55Å; W460-R468 HydrophobicContact CZ2-CG 4.39Å; W460-R468 HydrophobicContact CZ3-CB 4.44Å; W460-R468 PolarHBondContact N-O 3.36Å; W460-R468 PolarHBondContact O-N 3.25Å; T462-R468 VanDerWaalsContact CG2-CD 3.43Å; T462-R468 HydrophobicContact CG2-CG 3.73Å; T462-R468 VanDerWaalsContact CG2-CZ 3.49Å; R468-W479 WeakPolarHBondContact CA-O 3.31Å; R468-E480 HydrophobicContact CG-CG 4.49Å; R468-E480 IonicContact CZ-OE1 3.61Å; R468-E480 IonicContact NE-OE1 2.8Å; R468-E480 PolarHBondContact NE-OE1 3.17Å; R468-E480 IonicContact NH2-OE1 2.9Å; R468-E480 PolarHBondContact NH2-OE1 2.9Å
469	W	93.4	Very high	89.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	168.2	171.9	57.4	65.4	0	0	0	111	W158 F163 I417 I419 L432 L434 L446 F457 A458 A459 H467 W479	W158-W469 HydrophobicContact CH2-CH2 4.44Å; W158-W469 HydrophobicContact CH2-CZ3 4.34Å; W158-W469 HydrophobicContact CZ3-CH2 4.17Å; F163-W469 HydrophobicContact CD1-CZ2 4.28Å; F163-W469 AromaticContact CE1-CH2 3.74Å; F163-W469 HydrophobicContact CE1-CH2 3.74Å; F163-W469 AromaticContact CE1-CZ2 3.71Å; F163-W469 HydrophobicContact CE1-CZ2 3.71Å; F163-W469 HydrophobicContact CE1-CZ3 4.31Å; F163-W469 HydrophobicContact CE2-CH2 4.22Å; F163-W469 HydrophobicContact CE2-CZ2 4.31Å; F163-W469 AromaticContact CZ-CH2 3.46Å; F163-W469 HydrophobicContact CZ-CH2 3.46Å; F163-W469 VanDerWaalsContact CZ-CH2 3.46Å; F163-W469 AromaticContact CZ-CZ2 3.75Å; F163-W469 HydrophobicContact CZ-CZ2 3.75Å; F163-W469 HydrophobicContact CZ-CZ3 4.23Å; I417-W469 HydrophobicContact CD1-CZ3 4.4Å; I419-W469 HydrophobicContact CD1-CD2 4.35Å; I419-W469 HydrophobicContact CD1-CE3 3.63Å; I419-W469 HydrophobicContact CD1-CH2 4.3Å; I419-W469 HydrophobicContact CD1-CZ3 3.59Å; L432-W469 HydrophobicContact CD1-CZ2 4.41Å; L434-W469 HydrophobicContact CD2-CH2 4.32Å; L446-W469 HydrophobicContact CD1-CH2 3.87Å; L446-W469 HydrophobicContact CD1-CZ2 3.53Å; F457-W469 HydrophobicContact CE1-CB 4.18Å; F457-W469 HydrophobicContact CE2-CB 3.94Å; F457-W469 AromaticContact CE2-CD1 3.64Å; F457-W469 HydrophobicContact CE2-CD2 4.2Å; F457-W469 AromaticContact CE2-CG 3.69Å; F457-W469 HydrophobicContact CE2-CG 3.69Å; F457-W469 HydrophobicContact CZ-CB 3.51Å; F457-W469 AromaticContact CZ-CD1 3.95Å; F457-W469 AromaticContact CZ-CD2 3.8Å; F457-W469 HydrophobicContact CZ-CD2 3.8Å; F457-W469 HydrophobicContact CZ-CE3 4.19Å; F457-W469 AromaticContact CZ-CG 3.49Å; F457-W469 HydrophobicContact CZ-CG 3.49Å; F457-W469 VanDerWaalsContact CZ-CG 3.49Å; A458-W469 CarbonylContact O-C 3.6Å; A458-W469 WeakPolarHBondContact O-CA 3.35Å; A458-W469 VanDerWaalsContact O-CB 3.25Å; A458-W469 WeakPolarHBondContact O-CB 3.43Å; A459-W469 HydrophobicContact CB-CB 3.66Å; A459-W469 HydrophobicContact CB-CE3 4.49Å; H467-W469 HydrophobicContact CB-CE3 4.4Å; H467-W469 HydrophobicContact CB-CZ3 4.21Å; W469-W479 AromaticContact CD1-CD1 3.45Å; W469-W479 VanDerWaalsContact CD1-CD1 3.45Å; W469-W479 AromaticContact CD1-CD2 3.84Å; W469-W479 AromaticContact CD1-CG 3.25Å; W469-W479 HydrophobicContact CD2-CB 4.45Å; W469-W479 AromaticContact CE2-CE3 3.99Å; W469-W479 HydrophobicContact CG-CB 4.04Å; W469-W479 HydrophobicContact CG-CG 4.38Å; W469-W479 HydrophobicContact CZ2-CE3 4.03Å; W469-W479 PolarHBondContact N-O 3.39Å; W469-W479 VanDerWaalsContact N-O 3.15Å; W469-W479 AromaticContact NE1-CD1 3.57Å; W469-W479 AromaticContact NE1-CD2 3.11Å; W469-W479 AromaticContact NE1-CE2 3.8Å; W469-W479 AromaticContact NE1-CE3 3.4Å; W469-W479 AromaticContact NE1-CG 3.01Å; W469-W479 PolarHBondContact O-N 2.98Å
470	V	94.6	Very high	89.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.3	176.9	58.8	0	0	0	0	108.9	V178 V185 F457 A458 W460 L476 V477 V478	V178-V470 HydrophobicContact CB-CG1 4.27Å; V178-V470 HydrophobicContact CG1-CG1 3.91Å; V178-V470 HydrophobicContact CG2-CB 4.33Å; V178-V470 HydrophobicContact CG2-CG1 3.35Å; V178-V470 HydrophobicContact CG2-CG2 4.01Å; V185-V470 HydrophobicContact CG1-CB 4.48Å; V185-V470 HydrophobicContact CG1-CG1 4.17Å; V185-V470 HydrophobicContact CG1-CG2 4.09Å; V185-V470 HydrophobicContact CG2-CB 4.32Å; V185-V470 HydrophobicContact CG2-CG1 4.14Å; F457-V470 WeakPolarHBondContact CA-O 3.36Å; A458-V470 HydrophobicContact CB-CG1 3.93Å; A458-V470 PolarHBondContact N-O 3.11Å; A458-V470 PolarHBondContact O-N 2.94Å; W460-V470 HydrophobicContact CZ3-CB 4.44Å; W460-V470 HydrophobicContact CZ3-CG1 4.16Å; V470-L476 HydrophobicContact CG2-CD1 3.49Å; V470-L476 VanDerWaalsContact CG2-CD1 3.49Å; V470-L476 HydrophobicContact CG2-CG 4.14Å; V470-V477 VanDerWaalsContact CA-O 3.32Å; V470-V477 WeakPolarHBondContact CA-O 3.45Å; V470-V477 WeakPolarHBondContact CG2-O 3.45Å; V470-V478 HydrophobicContact CB-CG2 4.41Å; V470-V478 HydrophobicContact CG2-CG2 4.14Å
471	T	95.1	Very high	89.6	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.5	174.2	53.5	0	0	0	0	108	L432 I454 F457 V477 W479	L432-T471 HydrophobicContact CD1-CG2 4.26Å; I454-T471 HydrophobicContact CD1-CG2 3.64Å; I454-T471 HydrophobicContact CG1-CG2 4.3Å; I454-T471 HydrophobicContact CG2-CG2 4.35Å; F457-T471 HydrophobicContact CD2-CG2 3.79Å; F457-T471 HydrophobicContact CE2-CG2 3.99Å; T471-V477 PolarHBondContact N-O 2.8Å; T471-V477 PolarHBondContact O-N 3.47Å; T471-V477 PolarHBondContact OG1-O 3.46Å; T471-W479 PolarHBondContact OG1-NE1 3.26Å; T471-W479 VanDerWaalsContact OG1-NE1 3.08Å
472	G	93.7	Very high	89.5	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.9	175.2	0	0	0	0	0	111.5	L455 C456 D475	L455-G472 PolarHBondContact N-O 3.1Å; C456-G472 PolarHBondContact N-O 3.08Å; C456-G472 PolarHBondContact O-N 2.91Å; C456-G472 VanDerWaalsContact SG-CA 3.5Å; G472-D475 WeakPolarHBondContact CA-O 3.28Å
473	G	92.9	Very high	89.4	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-118.7	-179.4	0	0	0	0	0	107.5	I174 V175 D475	I174-G473 CarbonylContact C-O 3.59Å; I174-G473 WeakPolarHBondContact CA-O 3.36Å; V175-G473 PolarHBondContact N-O 3.44Å; G473-D475 VanDerWaalsContact C-N 3.33Å; G473-D475 PolarHBondContact N-O 2.63Å
474	R	92.1	Very high	88.8	Confident	202 Å²	202	39 Å²	39	76%	0.762	22%	0.22	S	C	*	.	S	Bend	trans	-62.3	-44.6	167	-177.6	176.1	179.2	158	0.3	111.6	P452	P452-R474 HydrophobicContact CB-CB 4.11Å
475	D	92.9	Very high	87.9	Confident	59 Å²	59	40.4 Å²	40.4	32%	0.316	23%	0.23	S	C	.	.	S	Bend	trans	-114.1	155.9	179.3	-58.7	-35.2	0	0	0	110.7	L167 P452 G472 G473 V477	L167-D475 HydrophobicContact CD1-CB 3.77Å; P452-D475 HydrophobicContact CG-CB 4.06Å; G472-D475 WeakPolarHBondContact CA-O 3.28Å; G473-D475 VanDerWaalsContact C-N 3.33Å; G473-D475 PolarHBondContact N-O 2.63Å; D475-V477 HydrophobicContact CB-CG2 4.19Å
476	L	94.6	Very high	86.8	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.8	173	-173.9	65.3	0	0	0	108.9	L168 V175 V178 W197 V470	L168-L476 HydrophobicContact CB-CB 4.16Å; L168-L476 HydrophobicContact CB-CD2 3.9Å; L168-L476 HydrophobicContact CB-CG 4.05Å; L168-L476 HydrophobicContact CD1-CD2 3.75Å; L168-L476 HydrophobicContact CD1-CG 3.98Å; L168-L476 HydrophobicContact CG-CD2 4.45Å; L168-L476 HydrophobicContact CG-CG 4.47Å; L168-L476 PolarHBondContact N-O 3.13Å; V175-L476 HydrophobicContact CG1-CD1 4.27Å; V175-L476 HydrophobicContact CG2-CB 4.32Å; V178-L476 HydrophobicContact CG2-CD1 4.23Å; W197-L476 HydrophobicContact CD2-CD2 4.4Å; W197-L476 HydrophobicContact CG-CD2 4.47Å; W197-L476 HydrophobicContact CZ2-CD2 4.16Å; V470-L476 HydrophobicContact CG2-CD1 3.49Å; V470-L476 VanDerWaalsContact CG2-CD1 3.49Å; V470-L476 HydrophobicContact CG2-CG 4.14Å
477	V	94.1	Very high	85.4	Confident	12 Å²	12	47.3 Å²	47.3	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126	-172.9	-175.5	0	0	0	0	110	L165 R166 L167 V470 T471 D475	L165-V477 HydrophobicContact CB-CG1 4.05Å; L165-V477 HydrophobicContact CD2-CG1 4.05Å; L165-V477 HydrophobicContact CG-CG1 4.47Å; R166-V477 WeakPolarHBondContact O-CA 3.43Å; L167-V477 HydrophobicContact CD1-CG2 4.02Å; V470-V477 VanDerWaalsContact CA-O 3.32Å; V470-V477 WeakPolarHBondContact CA-O 3.45Å; V470-V477 WeakPolarHBondContact CG2-O 3.45Å; T471-V477 PolarHBondContact N-O 2.8Å; T471-V477 PolarHBondContact O-N 3.47Å; T471-V477 PolarHBondContact OG1-O 3.46Å; D475-V477 HydrophobicContact CB-CG2 4.19Å
478	V	93.7	Very high	84.1	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.6	172.3	179.7	0	0	0	0	109.6	L165 R166 L168 V199 V470	L165-V478 WeakPolarHBondContact CA-O 3.25Å; R166-V478 PolarHBondContact N-O 3.41Å; R166-V478 PolarHBondContact O-N 3.42Å; L168-V478 HydrophobicContact CD1-CG2 3.46Å; L168-V478 VanDerWaalsContact CD1-CG2 3.46Å; L168-V478 HydrophobicContact CD2-CG2 4.39Å; L168-V478 HydrophobicContact CG-CG2 3.92Å; V199-V478 HydrophobicContact CG1-CG1 3.95Å; V470-V478 HydrophobicContact CB-CG2 4.41Å; V470-V478 HydrophobicContact CG2-CG2 4.14Å
479	W	93.1	Very high	83	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.9	179.4	-63.3	64.8	0	0	0	109	F163 L165 L432 L446 W448 R468 W469 T471 V492	F163-W479 HydrophobicContact CB-CE3 4.02Å; F163-W479 HydrophobicContact CD1-CB 4.27Å; F163-W479 HydrophobicContact CD1-CE3 4.21Å; F163-W479 HydrophobicContact CG-CE3 4.04Å; L165-W479 HydrophobicContact CD2-CB 4.37Å; L165-W479 HydrophobicContact CD2-CD2 3.21Å; L165-W479 VanDerWaalsContact CD2-CE2 3.43Å; L165-W479 HydrophobicContact CD2-CE3 3.54Å; L165-W479 HydrophobicContact CD2-CG 3.63Å; L165-W479 HydrophobicContact CD2-CH2 4.15Å; L165-W479 HydrophobicContact CD2-CZ2 3.88Å; L165-W479 HydrophobicContact CD2-CZ3 4.01Å; L432-W479 HydrophobicContact CD1-CH2 4.02Å; L432-W479 HydrophobicContact CD1-CZ2 4.06Å; L432-W479 HydrophobicContact CD1-CZ3 4.36Å; L446-W479 HydrophobicContact CB-CZ3 4.26Å; L446-W479 HydrophobicContact CD1-CZ3 4.08Å; W448-W479 AromaticContact CD2-CH2 3.68Å; W448-W479 HydrophobicContact CD2-CH2 3.68Å; W448-W479 AromaticContact CD2-CZ2 3.66Å; W448-W479 HydrophobicContact CD2-CZ2 3.66Å; W448-W479 AromaticContact CE2-CZ2 3.75Å; W448-W479 AromaticContact CE3-CH2 3.23Å; W448-W479 HydrophobicContact CE3-CH2 3.23Å; W448-W479 AromaticContact CE3-CZ2 3.58Å; W448-W479 HydrophobicContact CE3-CZ2 3.58Å; W448-W479 HydrophobicContact CE3-CZ3 4.45Å; W448-W479 HydrophobicContact CG-CH2 4.41Å; W448-W479 HydrophobicContact CG-CZ2 4.45Å; W448-W479 HydrophobicContact CH2-CH2 4.09Å; W448-W479 AromaticContact CH2-CZ2 3.75Å; W448-W479 HydrophobicContact CH2-CZ2 3.75Å; W448-W479 HydrophobicContact CZ2-CH2 4.44Å; W448-W479 AromaticContact CZ2-CZ2 3.8Å; W448-W479 HydrophobicContact CZ2-CZ2 3.8Å; W448-W479 AromaticContact CZ3-CH2 3.46Å; W448-W479 HydrophobicContact CZ3-CH2 3.46Å; W448-W479 VanDerWaalsContact CZ3-CH2 3.46Å; W448-W479 AromaticContact CZ3-CZ2 3.62Å; W448-W479 HydrophobicContact CZ3-CZ2 3.62Å; R468-W479 WeakPolarHBondContact CA-O 3.31Å; W469-W479 AromaticContact CD1-CD1 3.45Å; W469-W479 VanDerWaalsContact CD1-CD1 3.45Å; W469-W479 AromaticContact CD1-CD2 3.84Å; W469-W479 AromaticContact CD1-CG 3.25Å; W469-W479 HydrophobicContact CD2-CB 4.45Å; W469-W479 AromaticContact CE2-CE3 3.99Å; W469-W479 HydrophobicContact CG-CB 4.04Å; W469-W479 HydrophobicContact CG-CG 4.38Å; W469-W479 HydrophobicContact CZ2-CE3 4.03Å; W469-W479 PolarHBondContact N-O 3.39Å; W469-W479 VanDerWaalsContact N-O 3.15Å; W469-W479 AromaticContact NE1-CD1 3.57Å; W469-W479 AromaticContact NE1-CD2 3.11Å; W469-W479 AromaticContact NE1-CE2 3.8Å; W469-W479 AromaticContact NE1-CE3 3.4Å; W469-W479 AromaticContact NE1-CG 3.01Å; W469-W479 PolarHBondContact O-N 2.98Å; T471-W479 PolarHBondContact OG1-NE1 3.26Å; T471-W479 VanDerWaalsContact OG1-NE1 3.08Å; W479-V492 HydrophobicContact CE3-CG2 3.86Å; W479-V492 HydrophobicContact CH2-CG1 4.38Å; W479-V492 HydrophobicContact CH2-CG2 3.94Å; W479-V492 HydrophobicContact CZ3-CB 4.23Å; W479-V492 HydrophobicContact CZ3-CG1 3.82Å; W479-V492 HydrophobicContact CZ3-CG2 3.38Å
480	E	90.9	Very high	82.2	Confident	32 Å²	32	60.6 Å²	60.6	15%	0.15	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.5	177.4	-178.9	171.5	-143.9	0	0	109.2	F163 R164 R166 R468 L482	F163-E480 WeakPolarHBondContact CA-O 3.45Å; R164-E480 PolarHBondContact N-O 3.39Å; R164-E480 IonicContact NH1-OE2 3.69Å; R164-E480 PolarHBondContact O-N 3.44Å; R166-E480 IonicContact CZ-OE2 3.78Å; R166-E480 IonicContact NE-OE2 2.92Å; R166-E480 IonicContact NH2-OE2 3.8Å; R166-E480 PolarHBondContact NH2-OE2 3.42Å; R468-E480 HydrophobicContact CG-CG 4.49Å; R468-E480 IonicContact CZ-OE1 3.61Å; R468-E480 IonicContact NE-OE1 2.8Å; R468-E480 PolarHBondContact NE-OE1 3.17Å; R468-E480 IonicContact NH2-OE1 2.9Å; R468-E480 PolarHBondContact NH2-OE1 2.9Å; E480-L482 PolarHBondContact O-N 3.48Å
481	Q	89.4	Confident	81.6	Confident	32 Å²	32	64.3 Å²	64.3	15%	0.15	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.4	173.3	-169.1	176.9	15	0	0	109.5	R162 F163 D466 H467	R162-Q481 WeakPolarHBondContact O-CA 3.04Å; F163-Q481 HydrophobicContact CD1-CB 4.07Å; F163-Q481 HydrophobicContact CE1-CB 3.63Å; F163-Q481 HydrophobicContact CE1-CG 4.12Å; F163-Q481 HydrophobicContact CZ-CB 4.15Å; F163-Q481 HydrophobicContact CZ-CG 4.14Å; D466-Q481 HydrophobicContact CB-CB 4.42Å; H467-Q481 HydrophobicContact CB-CB 4.44Å; H467-Q481 PolarHBondContact CD2-OE1 3.19Å; H467-Q481 WeakPolarHBondContact O-CB 3.41Å; H467-Q481 PolarHBondContact O-N 3.46Å
482	L	86.1	Confident	81.1	Confident	17 Å²	17	64.7 Å²	64.7	9%	0.089	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.9	178.4	-63.9	176.6	0	0	0	109.9	R162 R164 E480 S484 N488	R162-L482 HydrophobicContact CB-CB 4.18Å; R162-L482 HydrophobicContact CB-CD1 4.3Å; R162-L482 PolarHBondContact O-N 3.25Å; R164-L482 HydrophobicContact CB-CD1 4.29Å; R164-L482 HydrophobicContact CB-CD2 4.01Å; R164-L482 HydrophobicContact CB-CG 4.2Å; E480-L482 PolarHBondContact O-N 3.48Å; L482-S484 PolarHBondContact O-N 3.29Å; L482-N488 HydrophobicContact CD1-CB 4.3Å
483	P	79.8	Confident	80.6	Confident	74 Å²	74	68.4 Å²	68.4	48%	0.481	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-58.7	138.2	173.8	-23.5	32.5	0	0	0	112	S485 G486	P483-S485 PolarHBondContact O-N 3.42Å; P483-G486 PolarHBondContact O-N 3.09Å
484	S	66.6	Low	80.3	Confident	118 Å²	118	70.4 Å²	70.4	83%	0.825	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.3	-177	-43.8	0	0	0	0	114.3	L482	L482-S484 PolarHBondContact O-N 3.29Å
485	S	58.7	Low	79.8	Confident	121 Å²	121	65.8 Å²	65.8	85%	0.846	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.4	-177.8	59.7	0	0	0	0	114.7	P483	P483-S485 PolarHBondContact O-N 3.42Å
486	G	56.9	Low	79	Confident	31 Å²	31	70.1 Å²	70.1	32%	0.32	37%	0.37	S	S	.	.			trans	-84.5	139.8	-176.4	0	0	0	0	0	115	R162 P483 N488	R162-G486 PolarHBondContact NH1-O 3.16Å; R162-G486 VanDerWaalsContact NH1-O 3.08Å; P483-G486 PolarHBondContact O-N 3.09Å; G486-N488 PolarHBondContact O-N 3.28Å
487	K	56	Low	78	Confident	209 Å²	209	71.8 Å²	71.8	91%	0.909	38%	0.379	S	S	*	.			trans	-68.7	-3.2	167.9	-76.2	-174.5	178.8	179	0	113.9	R489	K487-R489 PolarHBondContact O-N 2.92Å
488	N	60.5	Low	76.8	Confident	92 Å²	92	75.5 Å²	75.5	49%	0.492	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-71.1	128.7	-176.9	-66	-11.5	0	0	0	110.3	R162 L482 G486	R162-N488 PolarHBondContact NH1-O 3.22Å; L482-N488 HydrophobicContact CD1-CB 4.3Å; G486-N488 PolarHBondContact O-N 3.28Å
489	R	67.9	Low	75.6	Confident	232 Å²	232	80.7 Å²	80.7	88%	0.875	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-69.6	133.1	166.6	-70.8	-175.2	175.8	-176.7	-2.1	107.9	K487	K487-R489 PolarHBondContact O-N 2.92Å
490	G	76.3	Confident	74.7	Confident	24 Å²	24	80.8 Å²	80.8	25%	0.247	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-79.1	155.2	169.6	0	0	0	0	0	110.1	F163 V492	F163-G490 CarbonylContact O-C 3.56Å; F163-G490 VanDerWaalsContact O-CA 3.25Å; F163-G490 WeakPolarHBondContact O-CA 3.41Å; G490-V492 VanDerWaalsContact C-N 3.25Å
491	D	81.9	Confident	73.4	Confident	79 Å²	79	82 Å²	82	42%	0.422	44%	0.441	S	S	.	.	S	Bend	trans	-82.2	-11.1	178	-53.3	-48	0	0	0	111.8	F163 R164 L165	F163-D491 PolarHBondContact O-N 2.85Å; R164-D491 WeakPolarHBondContact CA-OD2 3.42Å; L165-D491 HydrophobicContact CB-CB 4.2Å; L165-D491 HydrophobicContact CD1-CB 4.21Å; L165-D491 HydrophobicContact CG-CB 3.97Å; L165-D491 PolarHBondContact N-OD2 2.85Å
492	V	85.8	Confident	72	Confident	12 Å²	12	85.7 Å²	85.7	7%	0.073	47%	0.466	C	S	.	.			trans	-105.7	134.8	-175.9	176.8	0	0	0	0	110.2	F163 L165 L446 T447 W448 W479 G490	F163-V492 HydrophobicContact CB-CB 3.98Å; F163-V492 HydrophobicContact CB-CG2 3.63Å; L165-V492 HydrophobicContact CD1-CG2 3.88Å; L165-V492 HydrophobicContact CD2-CG2 3.69Å; L165-V492 HydrophobicContact CG-CG2 3.75Å; L446-V492 HydrophobicContact CB-CG1 3.86Å; L446-V492 HydrophobicContact CD2-CG1 4.24Å; T447-V492 WeakPolarHBondContact O-CG1 3.38Å; W448-V492 HydrophobicContact CB-CG2 4.44Å; W479-V492 HydrophobicContact CE3-CG2 3.86Å; W479-V492 HydrophobicContact CH2-CG1 4.38Å; W479-V492 HydrophobicContact CH2-CG2 3.94Å; W479-V492 HydrophobicContact CZ3-CB 4.23Å; W479-V492 HydrophobicContact CZ3-CG1 3.82Å; W479-V492 HydrophobicContact CZ3-CG2 3.38Å; G490-V492 VanDerWaalsContact C-N 3.25Å
493	T	83.5	Confident	70.8	Confident	81 Å²	81	86 Å²	86	50%	0.497	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.8	172	47.6	0	0	0	0	110.4	T447 K495	T447-T493 PolarHBondContact N-O 2.68Å; T447-T493 PolarHBondContact O-N 3.35Å; T447-T493 PolarHBondContact O-OG1 2.93Å; T447-T493 VanDerWaalsContact O-OG1 3.09Å; T447-T493 PolarHBondContact OG1-O 2.8Å; T447-T493 PolarHBondContact OG1-OG1 3.23Å; T493-K495 PolarHBondContact O-N 3.45Å
494	V	85.1	Confident	70	Confident	42 Å²	42	87.1 Å²	87.1	26%	0.255	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.6	170	-172.5	0	0	0	0	108	A161 A444 L446	A161-V494 WeakPolarHBondContact O-CG2 3.45Å; A444-V494 HydrophobicContact CB-CG1 3.71Å; L446-V494 HydrophobicContact CD2-CB 4.48Å; L446-V494 HydrophobicContact CD2-CG1 4.39Å; L446-V494 HydrophobicContact CD2-CG2 3.79Å
495	K	82.1	Confident	70.2	Confident	106 Å²	106	83.6 Å²	83.6	46%	0.461	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.9	173.3	-72.5	-174.2	-173.3	176.1	0	109.4	Y442 S445 T447 T493	Y442-K495 PolarHBondContact OH-O 2.93Å; S445-K495 PolarHBondContact N-O 3.38Å; S445-K495 PolarHBondContact O-N 2.88Å; T447-K495 HydrophobicContact CG2-CD 3.93Å; T447-K495 HydrophobicContact CG2-CG 4.44Å; T447-K495 WeakPolarHBondContact OG1-CE 3.23Å; T493-K495 PolarHBondContact O-N 3.45Å
496	R	77.3	Confident	70.9	Confident	150 Å²	150	82.9 Å²	82.9	57%	0.566	43%	0.429	S	S	*	.			trans	-103.4	112.2	169.1	-172.2	171.3	-177.1	156.6	-11.9	108.1	E159 D501	E159-R496 IonicContact OE1-CZ 3.98Å; E159-R496 IonicContact OE1-NE 2.83Å; E159-R496 IonicContact OE1-NH1 3.32Å; E159-R496 PolarHBondContact OE1-NH1 3.38Å; R496-D501 IonicContact CZ-OD2 2.95Å; R496-D501 IonicContact NE-OD2 2.62Å; R496-D501 PolarHBondContact NE-OD2 2.89Å; R496-D501 IonicContact NH2-OD2 3.5Å; R496-D501 PolarHBondContact NH2-OD2 3.42Å
497	D	72.9	Confident	71.3	Confident	40 Å²	40	84.6 Å²	84.6	21%	0.214	44%	0.435	C	S	.	.			trans	-90	109.8	167.7	-168.2	-16.4	0	0	0	108.5	S402 Y442 L499 M500 D501	S402-D497 PolarHBondContact OG-OD2 2.83Å; Y442-D497 PolarHBondContact OH-N 3.02Å; D497-L499 PolarHBondContact O-N 2.95Å; D497-L499 WeakPolarHBondContact OD1-CB 3.27Å; D497-L499 PolarHBondContact OD1-N 3.5Å; D497-M500 HydrophobicContact CB-CB 4.06Å; D497-M500 HydrophobicContact CB-CG 3.72Å; D497-M500 PolarHBondContact O-N 2.85Å; D497-M500 VanDerWaalsContact O-N 3.17Å; D497-D501 PolarHBondContact O-N 3.36Å
498	S	68.1	Low	71.4	Confident	89 Å²	89	78.1 Å²	78.1	62%	0.622	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.2	179.1	50.5	0	0	0	0	112.8	D501	S498-D501 PolarHBondContact O-N 2.95Å
499	L	68.2	Low	70.6	Confident	114 Å²	114	80.5 Å²	80.5	60%	0.597	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.6	174.8	-62.5	168.2	0	0	0	111.1	D497 T502	D497-L499 PolarHBondContact O-N 2.95Å; D497-L499 WeakPolarHBondContact OD1-CB 3.27Å; D497-L499 PolarHBondContact OD1-N 3.5Å; L499-T502 PolarHBondContact O-OG1 2.62Å; L499-T502 VanDerWaalsContact O-OG1 3.09Å
500	M	74.5	Confident	69.1	Low	2 Å²	2	75.8 Å²	75.8	1%	0.01	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-82.3	-17.7	176.3	-61.9	-65.7	-68.5	0	0	112.7	T399 F435 Y442 D497 T502 T503	T399-M500 HydrophobicContact CG2-SD 4.35Å; T399-M500 VanDerWaalsContact O-CE 3.23Å; T399-M500 WeakPolarHBondContact O-CE 3.31Å; F435-M500 HydrophobicContact CE1-CE 4.19Å; F435-M500 HydrophobicContact CZ-CE 4.02Å; Y442-M500 WeakPolarHBondContact CB-O 3.48Å; Y442-M500 HydrophobicContact CD1-CB 3.85Å; Y442-M500 HydrophobicContact CD2-CB 3.82Å; Y442-M500 HydrophobicContact CD2-CE 4.38Å; Y442-M500 HydrophobicContact CE1-CB 3.98Å; Y442-M500 HydrophobicContact CE2-CB 3.94Å; Y442-M500 HydrophobicContact CE2-CG 4.45Å; Y442-M500 HydrophobicContact CG-CB 3.78Å; D497-M500 HydrophobicContact CB-CB 4.06Å; D497-M500 HydrophobicContact CB-CG 3.72Å; D497-M500 PolarHBondContact O-N 2.85Å; D497-M500 VanDerWaalsContact O-N 3.17Å; M500-T502 PolarHBondContact O-N 2.88Å; M500-T503 HydrophobicContact CB-CG2 4.43Å; M500-T503 HydrophobicContact CE-CG2 4Å; M500-T503 WeakPolarHBondContact O-CG2 3.49Å; M500-T503 PolarHBondContact O-N 3.48Å; M500-T503 PolarHBondContact O-OG1 2.86Å; M500-T503 HydrophobicContact SD-CG2 3.91Å
501	D	64.7	Low	67.3	Low	57 Å²	57	81.3 Å²	81.3	31%	0.305	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-67	-20.1	177.8	-85.4	-15.6	0	0	0	112.5	K155 Y442 R496 D497 S498	K155-D501 IonicContact NZ-OD1 3.79Å; K155-D501 PolarHBondContact NZ-OD1 3.49Å; K155-D501 IonicContact NZ-OD2 3.79Å; K155-D501 PolarHBondContact NZ-OD2 3.21Å; Y442-D501 WeakPolarHBondContact CD1-OD1 3.23Å; R496-D501 IonicContact CZ-OD2 2.95Å; R496-D501 IonicContact NE-OD2 2.62Å; R496-D501 PolarHBondContact NE-OD2 2.89Å; R496-D501 IonicContact NH2-OD2 3.5Å; R496-D501 PolarHBondContact NH2-OD2 3.42Å; D497-D501 PolarHBondContact O-N 3.36Å; S498-D501 PolarHBondContact O-N 2.95Å
502	T	60	Low	65.2	Low	110 Å²	110	86 Å²	86	68%	0.675	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-95.7	2.3	176.5	51.4	0	0	0	0	113.8	L499 M500 V504	L499-T502 PolarHBondContact O-OG1 2.62Å; L499-T502 VanDerWaalsContact O-OG1 3.09Å; M500-T502 PolarHBondContact O-N 2.88Å; T502-V504 PolarHBondContact O-N 2.91Å; T502-V504 VanDerWaalsContact O-N 3.16Å
503	T	61.2	Low	62.9	Low	23 Å²	23	93.9 Å²	93.9	14%	0.141	50%	0.498	C	S	.	.			trans	-67	117.9	-179.4	58.6	0	0	0	0	110.2	T399 M500	T399-T503 HydrophobicContact CG2-CG2 4.21Å; M500-T503 HydrophobicContact CB-CG2 4.43Å; M500-T503 HydrophobicContact CE-CG2 4Å; M500-T503 WeakPolarHBondContact O-CG2 3.49Å; M500-T503 PolarHBondContact O-N 3.48Å; M500-T503 PolarHBondContact O-OG1 2.86Å; M500-T503 HydrophobicContact SD-CG2 3.91Å
504	V	62.9	Low	60.9	Low	97 Å²	97	93.7 Å²	93.7	59%	0.588	49%	0.494	S	S	*	.			trans	-107.9	149.7	172.4	-175.4	0	0	0	0	107.9	T502 E506	T502-V504 PolarHBondContact O-N 2.91Å; T502-V504 VanDerWaalsContact O-N 3.16Å; V504-E506 PolarHBondContact O-N 3.32Å
505	L	70.6	Confident	58.6	Low	45 Å²	45	100.1 Å²	100.1	24%	0.236	52%	0.521	C	S	.	.			trans	-68	112.1	166.8	-75	174.3	0	0	0	108.5	I387 L398 Q439 C440	I387-L505 HydrophobicContact CD1-CD2 3.67Å; L398-L505 HydrophobicContact CB-CD2 3.88Å; L398-L505 HydrophobicContact CD1-CD2 3.96Å; L398-L505 HydrophobicContact CG-CD2 4.41Å; Q439-L505 WeakPolarHBondContact O-CD1 3.36Å; C440-L505 HydrophobicContact CB-CD1 3.83Å; C440-L505 HydrophobicContact CB-CD2 3.83Å; C440-L505 HydrophobicContact CB-CG 3.93Å
506	E	73.4	Confident	56.6	Low	106 Å²	106	100.3 Å²	100.3	50%	0.495	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.6	179.6	-69.8	165	-175.5	0	0	109.1	S396 R397 V504	S396-E506 CarbonylContact C-O 3.45Å; S396-E506 WeakPolarHBondContact CA-O 3.38Å; S396-E506 WeakPolarHBondContact CB-O 3.28Å; R397-E506 PolarHBondContact N-O 2.77Å; R397-E506 PolarHBondContact O-N 2.97Å; R397-E506 VanDerWaalsContact O-N 3.13Å; V504-E506 PolarHBondContact O-N 3.32Å
507	S	63.7	Low	54.5	Low	66 Å²	66	98 Å²	98	46%	0.462	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.6	170.8	48	0	0	0	0	109.5	D509	S507-D509 PolarHBondContact O-N 2.9Å
508	E	59	Low	52.7	Low	73 Å²	73	102.1 Å²	102.1	34%	0.341	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	25.9	179.4	-67.9	-174.5	165.1	0	0	113.5	K386 I395 D510	K386-E508 VanDerWaalsContact CE-OE1 3.31Å; K386-E508 WeakPolarHBondContact CE-OE1 3.36Å; K386-E508 IonicContact NZ-OE1 2.69Å; K386-E508 PolarHBondContact NZ-OE1 2.91Å; K386-E508 IonicContact NZ-OE2 3.76Å; K386-E508 PolarHBondContact NZ-OE2 3.45Å; K386-E508 VanDerWaalsContact NZ-OE2 3.12Å; I395-E508 HydrophobicContact CG2-CG 4.36Å; I395-E508 VanDerWaalsContact CG2-OE2 3.27Å; I395-E508 WeakPolarHBondContact CG2-OE2 3.48Å; I395-E508 PolarHBondContact O-N 2.91Å; E508-D510 PolarHBondContact O-N 3.21Å
509	D	43.8	Very low	51.2	Low	143 Å²	143	104.6 Å²	104.6	77%	0.765	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-10.6	170.4	-88	-19.8	0	0	0	112.1	S507	S507-D509 PolarHBondContact O-N 2.9Å
510	D	35.6	Very low	49.6	Very low	133 Å²	133	109 Å²	109	71%	0.711	57%	0.568	S	S	*	*	S	Bend	trans	-98.6	116.1	171.1	-70.3	-39.9	0	0	0	109.5	E508 E512	E508-D510 PolarHBondContact O-N 3.21Å; D510-E512 VanDerWaalsContact C-N 3.31Å; D510-E512 PolarHBondContact O-N 3.43Å
511	T	38.3	Very low	47.8	Very low	139 Å²	139	117.2 Å²	117.2	85%	0.853	61%	0.607	S	S	*	*			trans	-60.3	86.2	173.8	49.5	0	0	0	0	110.7
512	E	37.5	Very low	46.3	Very low	177 Å²	177	122 Å²	122	83%	0.827	63%	0.632	S	S	*	*			trans	-103.3	96.7	151.1	-66	-150.6	171.3	0	0	107.1	D510 D514	D510-E512 VanDerWaalsContact C-N 3.31Å; D510-E512 PolarHBondContact O-N 3.43Å; E512-D514 PolarHBondContact O-N 3.19Å; E512-D514 VanDerWaalsContact O-N 3.13Å
513	E	37.9	Very low	45	Very low	179 Å²	179	124 Å²	124	84%	0.836	64%	0.639	S	S	*	*			trans	-51	116.6	157.3	-67.9	178.3	165.1	0	0	106	E515	E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.41Å
514	D	41.5	Very low	43.7	Very low	76 Å²	76	132.2 Å²	132.2	41%	0.406	68%	0.676	S	S	.	*			trans	-53.1	105.5	162.5	-76	-36.2	0	0	0	104.5	R382 R397 E512 D516	R382-D514 IonicContact CZ-OD2 3.46Å; R382-D514 IonicContact NH1-OD2 3.91Å; R382-D514 PolarHBondContact NH1-OD2 3.49Å; R397-D514 IonicContact NH1-OD1 3.47Å; E512-D514 PolarHBondContact O-N 3.19Å; E512-D514 VanDerWaalsContact O-N 3.13Å; D514-D516 PolarHBondContact O-N 3.49Å
515	E	36.9	Very low	42.2	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	69%	0.69	S	S	*	*			trans	-60.7	92.9	173.4	-78.6	-173.2	172.6	0	0	107	E513 T517	E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.41Å; E515-T517 PolarHBondContact O-N 2.74Å; E515-T517 PolarHBondContact O-OG1 2.9Å
516	D	40.6	Very low	40.3	Very low	110 Å²	110	137 Å²	137	59%	0.588	72%	0.716	S	S	*	*			trans	-66.5	76.8	169.4	-85.2	-33.1	0	0	0	107.5	D514 N518	D514-D516 PolarHBondContact O-N 3.49Å; D516-N518 PolarHBondContact O-N 3.28Å
517	T	34.1	Very low	38.1	Very low	103 Å²	103	135.8 Å²	135.8	63%	0.632	73%	0.731	S	S	*	*			trans	-76.9	73.1	168	-16.4	0	0	0	0	108.9	E515	E515-T517 PolarHBondContact O-N 2.74Å; E515-T517 PolarHBondContact O-OG1 2.9Å
518	N	35.1	Very low	36.6	Very low	126 Å²	126	137.4 Å²	137.4	67%	0.674	75%	0.749	S	S	*	*			trans	-99.9	69.6	161.7	-78.5	-40.4	0	0	0	108.8	D516 Y520	D516-N518 PolarHBondContact O-N 3.28Å; N518-Y520 PolarHBondContact O-N 2.95Å
519	D	35.3	Very low	35.1	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	78%	0.777	S	S	*	*			trans	-74.7	82	163.5	-78.1	-20.6	0	0	0	108.8
520	Y	34.1	Very low	34.6	Very low	206 Å²	206	146 Å²	146	81%	0.808	78%	0.784	S	S	*	*			trans	-114	90.3	153.2	-73.7	-78.6	0	0	0	106.9	N518 D522	N518-Y520 PolarHBondContact O-N 2.95Å; Y520-D522 PolarHBondContact O-N 3Å
521	E	36.8	Very low	34.3	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.822	80%	0.795	S	S	*	*			trans	-63.2	96.6	165.3	-70.9	-176	157.3	0	0	108.9
522	D	33.8	Very low	33.6	Very low	157 Å²	157	144.1 Å²	144.1	84%	0.84	78%	0.784	S	S	*	*			trans	-90.4	112.3	161.3	-101.6	-22.7	0	0	0	108.5	Y520 E524	Y520-D522 PolarHBondContact O-N 3Å; D522-E524 PolarHBondContact O-N 3.1Å
523	N	32.5	Very low	33.1	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	78%	0.78	S	S	*	*			trans	-61.5	112.7	172.5	-75.9	-78.3	0	0	0	109.3	D525	N523-D525 PolarHBondContact O-N 3.36Å
524	E	34.8	Very low	32.5	Very low	196 Å²	196	143.7 Å²	143.7	92%	0.916	78%	0.783	S	S	*	*			trans	-70.8	115.1	164.7	-73.7	-174.8	158	0	0	109.3	D522	D522-E524 PolarHBondContact O-N 3.1Å
525	D	31.3	Very low	32.2	Very low	168 Å²	168	144.1 Å²	144.1	90%	0.898	81%	0.805	S	S	*	*			trans	-118.4	130.8	151.9	-152.1	1	0	0	0	108.3	N523	N523-D525 PolarHBondContact O-N 3.36Å
526	G	30.3	Very low	31.7	Very low	74 Å²	74	140.9 Å²	140.9	76%	0.763	80%	0.802	S	S	*	*			trans	-80.7	160.8	-157.3	0	0	0	0	0	115.6
527	G	26.8	Very low	31.4	Very low	80 Å²	80	144.5 Å²	144.5	83%	0.825	81%	0.808	S	S	*	*			trans	175.5	100.2	167.6	0	0	0	0	0	111.8
528	A	31.9	Very low	31.2	Very low	101 Å²	101	145.1 Å²	145.1	84%	0.835	81%	0.813	S	S	*	*			trans	-68.5	144.2	173.1	0	0	0	0	0	112.1
529	E	29	Very low	30.9	Very low	200 Å²	200	150.4 Å²	150.4	94%	0.935	82%	0.824	S	S	*	*			trans	-172.1	143.7	133.5	-104.1	176.2	-164.6	0	0	111.5
530	E	32.5	Very low	30.5	Very low	195 Å²	195	148.4 Å²	148.4	91%	0.911	82%	0.82	S	S	*	*			trans	-70.4	145	-180	-62.1	174.5	138.4	0	0	112.5
531	D	28.3	Very low	30.1	Very low	174 Å²	174	144.4 Å²	144.4	93%	0.93	82%	0.817	S	S	*	*				-174	156.6	120.9	-139.8	-17.5	0	0	0	112.7
532	G	25.3	Very low	29.8	Very low	60 Å²	60	142.3 Å²	142.3	62%	0.619	81%	0.81	S	S	*	*			trans	-94.3	176.4	-163.2	0	0	0	0	0	119.7
533	S	26	Very low	29.5	Very low	108 Å²	108	147 Å²	147	76%	0.755	83%	0.827	S	S	*	*			trans	78.3	129	156	134.6	0	0	0	0	120.2
534	R	26.2	Very low	29.3	Very low	239 Å²	239	146.8 Å²	146.8	90%	0.902	83%	0.828	S	S	*	*			trans	92.9	97.7	155	-73.7	172.7	171.7	-170.7	-1.3	119.2
535	G	34.3	Very low	29	Very low	84 Å²	84	144.2 Å²	144.2	87%	0.866	82%	0.823	S	S	*	*				59.5	82	120.8	0	0	0	0	0	116.6
536	S	25.9	Very low	28.9	Very low	109 Å²	109	142.8 Å²	142.8	76%	0.762	82%	0.819	S	S	*	*			trans	-123.1	101.4	170.9	174.4	0	0	0	0	109.9
537	W	34.1	Very low	28.8	Very low	186 Å²	186	146.9 Å²	146.9	71%	0.705	82%	0.822	S	S	*	*			trans	-62.4	125.4	153.3	-74	64	0	0	0	107.1	D289 R539	D289-W537 HydrophobicContact CB-CH2 4.32Å; D289-W537 HydrophobicContact CB-CZ2 4.4Å; D289-W537 WeakPolarHBondContact OD2-CZ2 3.19Å; W537-R539 PolarHBondContact O-N 2.89Å
538	P	31.6	Very low	28.9	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	82%	0.822	S	S	*	*			trans	-67.6	126.2	174.2	26.4	-29.8	0	0	0	108.8	C540	P538-C540 PolarHBondContact O-N 3.07Å
539	R	27.3	Very low	28.7	Very low	238 Å²	238	154.4 Å²	154.4	90%	0.898	82%	0.821	S	S	*	*			trans	-54.1	104.1	162.4	-82.2	177.7	167.9	165.6	-2.3	108	W537 V541	W537-R539 PolarHBondContact O-N 2.89Å; R539-V541 VanDerWaalsContact C-N 3.29Å; R539-V541 PolarHBondContact O-N 2.88Å
540	C	27.3	Very low	28.7	Very low	98 Å²	98	151.1 Å²	151.1	66%	0.662	81%	0.813	S	S	*	*			trans	-72.7	91.9	164.4	-158.3	0	0	0	0	107.1	P538 L542	P538-C540 PolarHBondContact O-N 3.07Å; C540-L542 VanDerWaalsContact C-N 3.31Å; C540-L542 PolarHBondContact O-N 2.76Å; C540-L542 VanDerWaalsContact SG-CD1 3.54Å; C540-L542 VanDerWaalsContact SG-CG 3.59Å
541	V	26.2	Very low	28.4	Very low	122 Å²	122	147.8 Å²	147.8	74%	0.739	81%	0.806	S	S	*	*			trans	-75.8	92.8	162.5	179.7	0	0	0	0	105.4	R539	R539-V541 VanDerWaalsContact C-N 3.29Å; R539-V541 PolarHBondContact O-N 2.88Å
542	L	31.1	Very low	28.4	Very low	131 Å²	131	145.6 Å²	145.6	69%	0.686	80%	0.795	S	S	*	*			trans	-102	106.6	162.3	-74.5	166.8	0	0	0	105.8	C540	C540-L542 VanDerWaalsContact C-N 3.31Å; C540-L542 PolarHBondContact O-N 2.76Å; C540-L542 VanDerWaalsContact SG-CD1 3.54Å; C540-L542 VanDerWaalsContact SG-CG 3.59Å
543	Q	25.9	Very low	28.7	Very low	256 Å²	256	153.4 Å²	153.4	100%	1.196	81%	0.811	S	S	*	*			trans	-78.3	0	171.2	-149.3	170.7	1.6	0	0	109.8

Retrieved 543 of 543 residues in 169.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).