A0A087Y6H0_POEFO Loading...

Round spermatid basic protein 1

AlphaFold DB , UniProt , Accession A0A087Y6H0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 779 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	47.5	Very low	239 Å²	239	134.1 Å²	134.1	100%	1.177	72%	0.724	S	S	*	*				0	141.3	0	-124.1	-171.2	-177.3	0	0	108.2
2	R	39.6	Very low	48.5	Very low	252 Å²	252	129.8 Å²	129.8	95%	0.951	71%	0.707	S	S	*	*			trans	59.5	143.9	175.6	-63.3	-171.9	176.7	-166.2	-1.7	117.1
3	S	40.8	Very low	49.6	Very low	120 Å²	120	125.1 Å²	125.1	84%	0.839	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-103	148.5	-175.2	42.2	0	0	0	0	111.9
4	A	42.5	Very low	50.5	Low	104 Å²	104	130.1 Å²	130.1	86%	0.86	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-100.5	130.8	162.6	0	0	0	0	0	109.1
5	G	47.3	Very low	51.3	Low	56 Å²	56	125.5 Å²	125.5	58%	0.577	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-86.5	159.1	-176.5	0	0	0	0	0	114.1	E7	G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.47Å
6	P	49.9	Very low	52	Low	108 Å²	108	127.4 Å²	127.4	70%	0.701	68%	0.676	S	S	*	*	S	Bend	trans	-82.2	61.8	-174.4	35.2	-37.7	0	0	0	113.4
7	E	54	Low	52.9	Low	87 Å²	87	127.1 Å²	127.1	41%	0.407	67%	0.671	S	S	.	*			trans	-85.7	-25.9	176.5	-81.7	-57.2	123.7	0	0	118.3	G5 F9 K10 H11	G5-E7 VanDerWaalsContact C-N 3.29Å; G5-E7 PolarHBondContact O-N 3.47Å; E7-F9 VanDerWaalsContact C-N 3.31Å; E7-F9 PolarHBondContact O-N 3.1Å; E7-K10 PolarHBondContact O-N 2.82Å; E7-K10 IonicContact OE1-NZ 3.82Å; E7-K10 PolarHBondContact OE1-NZ 2.8Å; E7-H11 PolarHBondContact O-ND1 3.3Å; E7-H11 IonicContact OE2-CE1 3.77Å; E7-H11 PolarHBondContact OE2-CE1 3.42Å; E7-H11 IonicContact OE2-ND1 3.55Å
8	P	52.9	Low	53.6	Low	95 Å²	95	122.7 Å²	122.7	62%	0.617	66%	0.656	S	S	*	*	H	α-helix	trans	-66.9	-32.2	-173.8	24.9	-32.6	0	0	0	112.8	K10 H11 T12	P8-K10 PolarHBondContact O-N 3.47Å; P8-H11 PolarHBondContact O-N 3.29Å; P8-T12 PolarHBondContact O-N 3.34Å; P8-T12 PolarHBondContact O-OG1 3Å; P8-T12 VanDerWaalsContact O-OG1 3.05Å
9	F	52	Low	54.3	Low	167 Å²	167	119.6 Å²	119.6	73%	0.732	65%	0.649	S	S	*	*	H	α-helix	trans	-67.1	-39.1	-176.5	-128.9	-93.2	0	0	0	113.1	E7 T12 V13	E7-F9 VanDerWaalsContact C-N 3.31Å; E7-F9 PolarHBondContact O-N 3.1Å; F9-T12 PolarHBondContact O-N 3.49Å; F9-V13 HydrophobicContact CD1-CG2 4.45Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.09Å; F9-V13 VanDerWaalsContact O-N 3.13Å
10	K	53.8	Low	54.9	Low	127 Å²	127	120.6 Å²	120.6	55%	0.552	65%	0.65	S	S	*	*	H	α-helix	trans	-66.4	-42.1	179.8	-65	179.5	-166.2	156.2	0	111.6	E7 P8 V13 R14	E7-K10 PolarHBondContact O-N 2.82Å; E7-K10 IonicContact OE1-NZ 3.82Å; E7-K10 PolarHBondContact OE1-NZ 2.8Å; P8-K10 PolarHBondContact O-N 3.47Å; K10-V13 PolarHBondContact O-N 3.22Å; K10-R14 VanDerWaalsContact O-CB 3.3Å; K10-R14 WeakPolarHBondContact O-CB 3.41Å; K10-R14 PolarHBondContact O-N 3.03Å
11	H	54.1	Low	55.8	Low	120 Å²	120	118.8 Å²	118.8	56%	0.556	64%	0.642	S	S	*	*	H	α-helix	trans	-64	-44.5	178.5	-76.8	81.3	0	0	0	111.4	E7 P8 V13 R14 A15	E7-H11 PolarHBondContact O-ND1 3.3Å; E7-H11 IonicContact OE2-CE1 3.77Å; E7-H11 PolarHBondContact OE2-CE1 3.42Å; E7-H11 IonicContact OE2-ND1 3.55Å; P8-H11 PolarHBondContact O-N 3.29Å; H11-V13 PolarHBondContact O-N 2.99Å; H11-R14 PolarHBondContact O-N 2.9Å; H11-A15 WeakPolarHBondContact O-CB 3.22Å; H11-A15 PolarHBondContact O-N 3.07Å
12	T	59.3	Low	57.5	Low	83 Å²	83	111.1 Å²	111.1	51%	0.509	61%	0.606	S	S	.	*	H	α-helix	trans	-62.8	-42	177.4	-52.4	0	0	0	0	112.9	P8 F9 K16	P8-T12 PolarHBondContact O-N 3.34Å; P8-T12 PolarHBondContact O-OG1 3Å; P8-T12 VanDerWaalsContact O-OG1 3.05Å; F9-T12 PolarHBondContact O-N 3.49Å; T12-K16 PolarHBondContact O-N 3.31Å; T12-K16 VanDerWaalsContact O-N 3.14Å
13	V	63.2	Low	59	Low	68 Å²	68	105.1 Å²	105.1	41%	0.412	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-42.9	176.4	173.7	0	0	0	0	111.2	F9 K10 H11 A15 K16 M17	F9-V13 HydrophobicContact CD1-CG2 4.45Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.09Å; F9-V13 VanDerWaalsContact O-N 3.13Å; K10-V13 PolarHBondContact O-N 3.22Å; H11-V13 PolarHBondContact O-N 2.99Å; V13-A15 VanDerWaalsContact C-N 3.34Å; V13-A15 PolarHBondContact O-N 3.46Å; V13-K16 PolarHBondContact O-N 3.33Å; V13-M17 HydrophobicContact CG1-CE 4.38Å; V13-M17 HydrophobicContact CG1-SD 4.47Å; V13-M17 PolarHBondContact O-N 3.27Å
14	R	62.3	Low	60.3	Low	195 Å²	195	105 Å²	105	74%	0.736	58%	0.582	S	S	*	*	H	α-helix	trans	-64.1	-38.1	179	-163.3	176.1	-169.7	-179.5	2.7	112.2	K10 H11 M17 A18	K10-R14 VanDerWaalsContact O-CB 3.3Å; K10-R14 WeakPolarHBondContact O-CB 3.41Å; K10-R14 PolarHBondContact O-N 3.03Å; H11-R14 PolarHBondContact O-N 2.9Å; R14-M17 PolarHBondContact O-N 2.91Å; R14-A18 WeakPolarHBondContact O-CB 3.39Å; R14-A18 PolarHBondContact O-N 2.97Å
15	A	62.4	Low	61.8	Low	62 Å²	62	107 Å²	107	51%	0.512	57%	0.567	S	S	.	*	H	α-helix	trans	-64.8	-43.9	174.1	0	0	0	0	0	112.3	H11 V13 A18 A19	H11-A15 WeakPolarHBondContact O-CB 3.22Å; H11-A15 PolarHBondContact O-N 3.07Å; V13-A15 VanDerWaalsContact C-N 3.34Å; V13-A15 PolarHBondContact O-N 3.46Å; A15-A18 PolarHBondContact O-N 2.89Å; A15-A19 PolarHBondContact O-N 2.68Å
16	K	63.2	Low	63	Low	156 Å²	156	106.7 Å²	106.7	68%	0.678	56%	0.559	S	S	*	*	H	α-helix	trans	-63.1	-41.3	175.4	-75.5	-171.2	174.4	-172.5	0	112.5	T12 V13 Q20	T12-K16 PolarHBondContact O-N 3.31Å; T12-K16 VanDerWaalsContact O-N 3.14Å; V13-K16 PolarHBondContact O-N 3.33Å; K16-Q20 WeakPolarHBondContact O-CB 3.41Å; K16-Q20 PolarHBondContact O-N 3Å
17	M	66.6	Low	64.1	Low	121 Å²	121	107.5 Å²	107.5	60%	0.596	55%	0.551	S	S	*	*	H	α-helix	trans	-64.8	-40.1	174.8	-74.9	-174.7	169.6	0	0	112.6	V13 R14 Q20 V21	V13-M17 HydrophobicContact CG1-CE 4.38Å; V13-M17 HydrophobicContact CG1-SD 4.47Å; V13-M17 PolarHBondContact O-N 3.27Å; R14-M17 PolarHBondContact O-N 2.91Å; M17-Q20 PolarHBondContact O-N 3.14Å; M17-V21 WeakPolarHBondContact O-CG2 3.42Å; M17-V21 PolarHBondContact O-N 3.29Å
18	A	65.2	Low	65.2	Low	48 Å²	48	107.1 Å²	107.1	40%	0.397	56%	0.555	S	S	.	*	H	α-helix	trans	-60.9	-50.9	175.4	0	0	0	0	0	111.5	R14 A15 Q20 V21 D22	R14-A18 WeakPolarHBondContact O-CB 3.39Å; R14-A18 PolarHBondContact O-N 2.97Å; A15-A18 PolarHBondContact O-N 2.89Å; A18-Q20 VanDerWaalsContact C-N 3.27Å; A18-Q20 PolarHBondContact O-N 3.46Å; A18-V21 PolarHBondContact O-N 2.93Å; A18-V21 VanDerWaalsContact O-N 3.1Å; A18-D22 PolarHBondContact O-N 3.23Å
19	A	67.1	Low	66	Low	64 Å²	64	106.2 Å²	106.2	53%	0.529	54%	0.544	S	S	.	.	H	α-helix	trans	-58.4	-37.7	177.2	0	0	0	0	0	112.7	A15 L23	A15-A19 PolarHBondContact O-N 2.68Å; A19-L23 VanDerWaalsContact O-CB 3.32Å; A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 PolarHBondContact O-N 2.96Å
20	Q	66.3	Low	66.9	Low	140 Å²	140	102.4 Å²	102.4	65%	0.654	53%	0.532	S	S	*	.	H	α-helix	trans	-70.4	-36.1	176.6	-167	173.1	11.6	0	0	112.7	K16 M17 A18 L24	K16-Q20 WeakPolarHBondContact O-CB 3.41Å; K16-Q20 PolarHBondContact O-N 3Å; M17-Q20 PolarHBondContact O-N 3.14Å; A18-Q20 VanDerWaalsContact C-N 3.27Å; A18-Q20 PolarHBondContact O-N 3.46Å; Q20-L24 WeakPolarHBondContact O-CB 3.46Å; Q20-L24 PolarHBondContact O-N 3.18Å; Q20-L24 VanDerWaalsContact O-N 3.08Å
21	V	73.6	Confident	67.8	Low	82 Å²	82	101.2 Å²	101.2	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-67.7	-41.2	173.9	166.3	0	0	0	0	111.4	M17 A18 L24 R25	M17-V21 WeakPolarHBondContact O-CG2 3.42Å; M17-V21 PolarHBondContact O-N 3.29Å; A18-V21 PolarHBondContact O-N 2.93Å; A18-V21 VanDerWaalsContact O-N 3.1Å; V21-L24 WeakPolarHBondContact O-CB 3.4Å; V21-L24 PolarHBondContact O-N 3.41Å; V21-R25 WeakPolarHBondContact O-CB 3.48Å; V21-R25 PolarHBondContact O-N 2.96Å
22	D	70.5	Confident	68.8	Low	79 Å²	79	104 Å²	104	42%	0.422	53%	0.534	S	S	.	.	H	α-helix	trans	-76.4	-30.2	-179.8	-68.8	-37.7	0	0	0	112.6	A18 L24 R25 A26	A18-D22 PolarHBondContact O-N 3.23Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-R25 WeakPolarHBondContact O-CB 3.39Å; D22-R25 PolarHBondContact O-N 3.48Å; D22-R25 IonicContact OD1-CZ 3.43Å; D22-R25 IonicContact OD1-NE 2.71Å; D22-R25 PolarHBondContact OD1-NE 2.59Å; D22-R25 IonicContact OD1-NH2 2.77Å; D22-R25 PolarHBondContact OD1-NH2 2.85Å; D22-A26 WeakPolarHBondContact O-CB 3.31Å; D22-A26 PolarHBondContact O-N 2.89Å
23	L	71.7	Confident	69.7	Low	125 Å²	125	105.1 Å²	105.1	65%	0.654	54%	0.536	S	S	*	.	H	α-helix	trans	-61.7	-41	165.4	-178.8	62.9	0	0	0	111.6	A19 A26 K27	A19-L23 VanDerWaalsContact O-CB 3.32Å; A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 PolarHBondContact O-N 2.96Å; L23-A26 PolarHBondContact O-N 2.94Å; L23-K27 WeakPolarHBondContact O-CB 3.33Å; L23-K27 PolarHBondContact O-N 2.7Å
24	L	69.6	Low	70.2	Confident	117 Å²	117	109.4 Å²	109.4	61%	0.613	55%	0.545	S	S	*	.	H	α-helix	trans	-66.1	-40.3	175	-153.8	78.3	0	0	0	111.4	Q20 V21 D22 K27 V28	Q20-L24 WeakPolarHBondContact O-CB 3.46Å; Q20-L24 PolarHBondContact O-N 3.18Å; Q20-L24 VanDerWaalsContact O-N 3.08Å; V21-L24 WeakPolarHBondContact O-CB 3.4Å; V21-L24 PolarHBondContact O-N 3.41Å; D22-L24 VanDerWaalsContact C-N 3.33Å; L24-K27 PolarHBondContact O-N 3.45Å; L24-V28 WeakPolarHBondContact O-CG2 3.24Å; L24-V28 PolarHBondContact O-N 3.36Å
25	R	73.3	Confident	70.7	Confident	148 Å²	148	105 Å²	105	56%	0.558	54%	0.535	S	S	*	.	H	α-helix	trans	-62	-42.9	175.4	-167.2	-163.3	-55.2	-100.5	2.8	111.8	V21 D22 N29	V21-R25 WeakPolarHBondContact O-CB 3.48Å; V21-R25 PolarHBondContact O-N 2.96Å; D22-R25 WeakPolarHBondContact O-CB 3.39Å; D22-R25 PolarHBondContact O-N 3.48Å; D22-R25 IonicContact OD1-CZ 3.43Å; D22-R25 IonicContact OD1-NE 2.71Å; D22-R25 PolarHBondContact OD1-NE 2.59Å; D22-R25 IonicContact OD1-NH2 2.77Å; D22-R25 PolarHBondContact OD1-NH2 2.85Å; R25-N29 PolarHBondContact O-N 2.92Å; R25-N29 PolarHBondContact O-ND2 3.16Å
26	A	72.9	Confident	71.3	Confident	48 Å²	48	105.5 Å²	105.5	40%	0.397	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-48.3	174.1	0	0	0	0	0	111.1	D22 L23 V28 N29 D30	D22-A26 WeakPolarHBondContact O-CB 3.31Å; D22-A26 PolarHBondContact O-N 2.89Å; L23-A26 PolarHBondContact O-N 2.94Å; A26-V28 PolarHBondContact O-N 2.63Å; A26-N29 WeakPolarHBondContact O-CA 3.43Å; A26-N29 WeakPolarHBondContact O-CB 3.34Å; A26-N29 PolarHBondContact O-N 3.34Å; A26-D30 PolarHBondContact O-N 3.05Å
27	K	72.8	Confident	71.7	Confident	125 Å²	125	105.6 Å²	105.6	54%	0.543	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-40.7	179.7	-163.4	171.2	-176.2	177.3	0	113.1	L23 L24 N29 D30 E31	L23-K27 WeakPolarHBondContact O-CB 3.33Å; L23-K27 PolarHBondContact O-N 2.7Å; L24-K27 PolarHBondContact O-N 3.45Å; K27-N29 VanDerWaalsContact C-N 3.34Å; K27-D30 PolarHBondContact O-N 3.43Å; K27-E31 WeakPolarHBondContact O-CG 3.32Å; K27-E31 PolarHBondContact O-N 3.13Å
28	V	76.6	Confident	72.1	Confident	79 Å²	79	103 Å²	103	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-34.6	173.4	169.1	0	0	0	0	111.9	L24 A26 R32	L24-V28 WeakPolarHBondContact O-CG2 3.24Å; L24-V28 PolarHBondContact O-N 3.36Å; A26-V28 PolarHBondContact O-N 2.63Å; V28-R32 VanDerWaalsContact O-CB 3.24Å; V28-R32 WeakPolarHBondContact O-CB 3.31Å; V28-R32 PolarHBondContact O-N 3.04Å
29	N	70.6	Confident	72.8	Confident	76 Å²	76	108.1 Å²	108.1	41%	0.406	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-42.3	173	-77	-21.3	0	0	0	111.8	R25 A26 K27 E31 R32 I33	R25-N29 PolarHBondContact O-N 2.92Å; R25-N29 PolarHBondContact O-ND2 3.16Å; A26-N29 WeakPolarHBondContact O-CA 3.43Å; A26-N29 WeakPolarHBondContact O-CB 3.34Å; A26-N29 PolarHBondContact O-N 3.34Å; K27-N29 VanDerWaalsContact C-N 3.34Å; N29-E31 PolarHBondContact O-N 3.47Å; N29-R32 CarbonylContact O-C 3.55Å; N29-R32 PolarHBondContact O-N 3.16Å; N29-I33 WeakPolarHBondContact O-CB 3.43Å; N29-I33 VanDerWaalsContact O-CG1 3.25Å; N29-I33 WeakPolarHBondContact O-CG1 3.44Å; N29-I33 PolarHBondContact O-N 2.99Å
30	D	69.3	Low	73.3	Confident	88 Å²	88	110.4 Å²	110.4	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-64.2	-38.2	175.9	-80	-2.7	0	0	0	113.1	A26 K27 R34	A26-D30 PolarHBondContact O-N 3.05Å; K27-D30 PolarHBondContact O-N 3.43Å; D30-R34 PolarHBondContact O-N 3.47Å; D30-R34 PolarHBondContact O-NE 3.05Å
31	E	72.4	Confident	74	Confident	102 Å²	102	105.9 Å²	105.9	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-44.6	171.1	-75.1	171.9	-173.8	0	0	110.6	K27 N29 I33 R34 D35	K27-E31 WeakPolarHBondContact O-CG 3.32Å; K27-E31 PolarHBondContact O-N 3.13Å; N29-E31 PolarHBondContact O-N 3.47Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.15Å; E31-R34 WeakPolarHBondContact O-CB 3.49Å; E31-R34 PolarHBondContact O-N 2.85Å; E31-D35 WeakPolarHBondContact O-CB 3.46Å; E31-D35 PolarHBondContact O-N 3.48Å
32	R	76.4	Confident	74.1	Confident	177 Å²	177	108 Å²	108	67%	0.668	51%	0.511	S	S	*	.	H	α-helix	trans	-66	-31.7	177.1	-167.6	176.4	-174.1	-178.4	2.4	113.4	V28 N29 S36	V28-R32 VanDerWaalsContact O-CB 3.24Å; V28-R32 WeakPolarHBondContact O-CB 3.31Å; V28-R32 PolarHBondContact O-N 3.04Å; N29-R32 CarbonylContact O-C 3.55Å; N29-R32 PolarHBondContact O-N 3.16Å; R32-S36 WeakPolarHBondContact O-CB 3.43Å; R32-S36 PolarHBondContact O-N 3.06Å
33	I	77.7	Confident	74.2	Confident	108 Å²	108	109.1 Å²	109.1	55%	0.554	51%	0.513	S	S	*	.	H	α-helix	trans	-70.7	-45.4	173	-71.9	163.7	0	0	0	110	N29 E31 D35 S36 Y37	N29-I33 WeakPolarHBondContact O-CB 3.43Å; N29-I33 VanDerWaalsContact O-CG1 3.25Å; N29-I33 WeakPolarHBondContact O-CG1 3.44Å; N29-I33 PolarHBondContact O-N 2.99Å; E31-I33 VanDerWaalsContact C-N 3.34Å; E31-I33 PolarHBondContact O-N 3.15Å; I33-D35 PolarHBondContact O-N 2.9Å; I33-S36 WeakPolarHBondContact O-CB 3.43Å; I33-S36 PolarHBondContact O-N 3.37Å; I33-S36 VanDerWaalsContact O-N 3.13Å; I33-Y37 PolarHBondContact O-N 2.78Å
34	R	74.6	Confident	74.4	Confident	158 Å²	158	109.6 Å²	109.6	60%	0.596	51%	0.51	S	S	*	.	H	α-helix	trans	-56.2	-49	170.9	-96.7	176	-76.3	-140.7	-4.9	111.8	D30 E31 S36 Y37 D38	D30-R34 PolarHBondContact O-N 3.47Å; D30-R34 PolarHBondContact O-NE 3.05Å; E31-R34 WeakPolarHBondContact O-CB 3.49Å; E31-R34 PolarHBondContact O-N 2.85Å; R34-S36 PolarHBondContact O-N 3.44Å; R34-Y37 PolarHBondContact O-N 2.94Å; R34-D38 VanDerWaalsContact O-CB 3.28Å; R34-D38 WeakPolarHBondContact O-CB 3.35Å; R34-D38 PolarHBondContact O-N 2.78Å
35	D	72.2	Confident	74.5	Confident	101 Å²	101	111 Å²	111	54%	0.54	51%	0.512	S	S	.	.	H	α-helix	trans	-62.5	-25	177.4	-108.1	15.9	0	0	0	113.7	E31 I33 R39	E31-D35 WeakPolarHBondContact O-CB 3.46Å; E31-D35 PolarHBondContact O-N 3.48Å; I33-D35 PolarHBondContact O-N 2.9Å; D35-R39 WeakPolarHBondContact O-CB 3.49Å; D35-R39 WeakPolarHBondContact O-CG 3.43Å; D35-R39 PolarHBondContact O-N 3.35Å; D35-R39 PolarHBondContact O-NE 2.67Å
36	S	74.7	Confident	74.2	Confident	73 Å²	73	111.4 Å²	111.4	51%	0.51	52%	0.517	S	S	.	.	H	α-helix	trans	-78.2	-48.8	173.3	-167.2	0	0	0	0	110.9	R32 I33 R34 D38 R39 F40	R32-S36 WeakPolarHBondContact O-CB 3.43Å; R32-S36 PolarHBondContact O-N 3.06Å; I33-S36 WeakPolarHBondContact O-CB 3.43Å; I33-S36 PolarHBondContact O-N 3.37Å; I33-S36 VanDerWaalsContact O-N 3.13Å; R34-S36 PolarHBondContact O-N 3.44Å; S36-D38 PolarHBondContact O-N 3.19Å; S36-R39 WeakPolarHBondContact O-CB 3.43Å; S36-R39 PolarHBondContact O-N 2.94Å; S36-F40 PolarHBondContact O-N 2.87Å
37	Y	71.1	Confident	73.6	Confident	159 Å²	159	114.9 Å²	114.9	62%	0.624	52%	0.523	S	S	*	.	H	α-helix	trans	-61.1	-43.9	177.3	-167.9	-88.8	0	0	0	111.7	I33 R34 R39 F40 I41	I33-Y37 PolarHBondContact O-N 2.78Å; R34-Y37 PolarHBondContact O-N 2.94Å; Y37-R39 VanDerWaalsContact C-N 3.34Å; Y37-R39 PolarHBondContact O-N 3.21Å; Y37-F40 CarbonylContact O-C 3.58Å; Y37-F40 WeakPolarHBondContact O-CA 3.42Å; Y37-F40 WeakPolarHBondContact O-CB 3.35Å; Y37-F40 PolarHBondContact O-N 2.77Å; Y37-F40 VanDerWaalsContact O-N 3.08Å; Y37-I41 HydrophobicContact CD1-CG1 3.84Å; Y37-I41 HydrophobicContact CE1-CD1 3.94Å; Y37-I41 HydrophobicContact CE1-CG1 3.59Å; Y37-I41 WeakPolarHBondContact O-CG1 3.42Å; Y37-I41 PolarHBondContact O-N 3.4Å
38	D	75.8	Confident	72.9	Confident	67 Å²	67	116 Å²	116	36%	0.358	53%	0.528	S	S	.	.	H	α-helix	trans	-70.8	-31.4	-179.2	-161.1	47.5	0	0	0	111.7	R34 S36 K42	R34-D38 VanDerWaalsContact O-CB 3.28Å; R34-D38 WeakPolarHBondContact O-CB 3.35Å; R34-D38 PolarHBondContact O-N 2.78Å; S36-D38 PolarHBondContact O-N 3.19Å; D38-K42 VanDerWaalsContact O-CB 3.3Å; D38-K42 WeakPolarHBondContact O-CB 3.3Å; D38-K42 WeakPolarHBondContact O-CD 3.3Å; D38-K42 WeakPolarHBondContact O-CG 3.37Å; D38-K42 PolarHBondContact O-N 3.38Å; D38-K42 WeakPolarHBondContact OD2-CE 3.16Å; D38-K42 IonicContact OD2-NZ 3.5Å; D38-K42 PolarHBondContact OD2-NZ 1.82Å
39	R	79.8	Confident	71.7	Confident	155 Å²	155	120.3 Å²	120.3	59%	0.585	54%	0.541	S	S	*	.	H	α-helix	trans	-63.8	-43.8	164.6	-91.8	179.2	-76.1	-176.1	-10.9	112.4	D35 S36 Y37 K42 E43	D35-R39 WeakPolarHBondContact O-CB 3.49Å; D35-R39 WeakPolarHBondContact O-CG 3.43Å; D35-R39 PolarHBondContact O-N 3.35Å; D35-R39 PolarHBondContact O-NE 2.67Å; S36-R39 WeakPolarHBondContact O-CB 3.43Å; S36-R39 PolarHBondContact O-N 2.94Å; Y37-R39 VanDerWaalsContact C-N 3.34Å; Y37-R39 PolarHBondContact O-N 3.21Å; R39-K42 CarbonylContact O-C 3.57Å; R39-K42 PolarHBondContact O-N 2.99Å; R39-E43 WeakPolarHBondContact O-CB 3.33Å; R39-E43 PolarHBondContact O-N 3.05Å
40	F	77.9	Confident	70.6	Confident	112 Å²	112	126.9 Å²	126.9	49%	0.491	56%	0.56	S	S	.	*	H	α-helix	trans	-62.8	-41.5	177.2	-178.5	-102.5	0	0	0	111.9	S36 Y37 E43 K44	S36-F40 PolarHBondContact O-N 2.87Å; Y37-F40 CarbonylContact O-C 3.58Å; Y37-F40 WeakPolarHBondContact O-CA 3.42Å; Y37-F40 WeakPolarHBondContact O-CB 3.35Å; Y37-F40 PolarHBondContact O-N 2.77Å; Y37-F40 VanDerWaalsContact O-N 3.08Å; F40-E43 PolarHBondContact O-N 3.24Å; F40-K44 HydrophobicContact CE1-CD 4.3Å; F40-K44 PolarHBondContact O-N 2.91Å
41	I	80.2	Confident	69.4	Low	45 Å²	45	128.6 Å²	128.6	23%	0.231	57%	0.569	C	S	.	*	H	α-helix	trans	-64.6	-42.9	173	-66.5	-62.8	0	0	0	111.3	Y37 E43 K44 K45	Y37-I41 HydrophobicContact CD1-CG1 3.84Å; Y37-I41 HydrophobicContact CE1-CD1 3.94Å; Y37-I41 HydrophobicContact CE1-CG1 3.59Å; Y37-I41 WeakPolarHBondContact O-CG1 3.42Å; Y37-I41 PolarHBondContact O-N 3.4Å; I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.03Å; I41-K44 PolarHBondContact O-N 3.08Å; I41-K45 HydrophobicContact CG2-CD 4.05Å; I41-K45 WeakPolarHBondContact O-CB 3.38Å; I41-K45 WeakPolarHBondContact O-CG 3.14Å; I41-K45 PolarHBondContact O-N 3.32Å
42	K	76.8	Confident	68.4	Low	127 Å²	127	129.6 Å²	129.6	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-62.7	-36.8	173.6	-75.2	161.8	-179.8	161.4	0	111.8	D38 R39 K46	D38-K42 VanDerWaalsContact O-CB 3.3Å; D38-K42 WeakPolarHBondContact O-CB 3.3Å; D38-K42 WeakPolarHBondContact O-CD 3.3Å; D38-K42 WeakPolarHBondContact O-CG 3.37Å; D38-K42 PolarHBondContact O-N 3.38Å; D38-K42 WeakPolarHBondContact OD2-CE 3.16Å; D38-K42 IonicContact OD2-NZ 3.5Å; D38-K42 PolarHBondContact OD2-NZ 1.82Å; R39-K42 CarbonylContact O-C 3.57Å; R39-K42 PolarHBondContact O-N 2.99Å; K42-K46 VanDerWaalsContact O-CB 3.29Å; K42-K46 WeakPolarHBondContact O-CB 3.47Å; K42-K46 PolarHBondContact O-N 3.36Å
43	E	72.8	Confident	66.4	Low	101 Å²	101	125.7 Å²	125.7	47%	0.472	58%	0.577	S	S	.	*	H	α-helix	trans	-72.2	-43.4	175.3	-162	-170.2	137.9	0	0	112.4	R39 F40 I41 K45 K46 K47	R39-E43 WeakPolarHBondContact O-CB 3.33Å; R39-E43 PolarHBondContact O-N 3.05Å; F40-E43 PolarHBondContact O-N 3.24Å; I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.03Å; E43-K45 VanDerWaalsContact C-N 3.32Å; E43-K45 PolarHBondContact O-N 3.08Å; E43-K46 CarbonylContact O-C 3.54Å; E43-K46 WeakPolarHBondContact O-CA 3.42Å; E43-K46 WeakPolarHBondContact O-CB 3.4Å; E43-K46 PolarHBondContact O-N 2.67Å; E43-K47 PolarHBondContact O-N 3.38Å; E43-K47 IonicContact OE1-NZ 3.53Å; E43-K47 PolarHBondContact OE1-NZ 3.4Å
44	K	74.3	Confident	64.6	Low	136 Å²	136	125.6 Å²	125.6	59%	0.591	58%	0.583	S	S	*	*	H	α-helix	trans	-58.7	-43.4	172.7	-114.3	-172	177.5	-175.8	0	111.1	F40 I41 K46 K47 K48	F40-K44 HydrophobicContact CE1-CD 4.3Å; F40-K44 PolarHBondContact O-N 2.91Å; I41-K44 PolarHBondContact O-N 3.08Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.18Å; K44-K47 PolarHBondContact O-N 2.92Å; K44-K48 WeakPolarHBondContact O-CB 3.3Å; K44-K48 PolarHBondContact O-N 3.3Å
45	K	71.5	Confident	62.8	Low	147 Å²	147	124.6 Å²	124.6	64%	0.639	60%	0.595	S	S	*	*	H	α-helix	trans	-63.2	-35.5	172.9	-74	174.8	179	175.2	0	111.9	I41 E43 K49	I41-K45 HydrophobicContact CG2-CD 4.05Å; I41-K45 WeakPolarHBondContact O-CB 3.38Å; I41-K45 WeakPolarHBondContact O-CG 3.14Å; I41-K45 PolarHBondContact O-N 3.32Å; E43-K45 VanDerWaalsContact C-N 3.32Å; E43-K45 PolarHBondContact O-N 3.08Å; K45-K49 WeakPolarHBondContact O-CB 3.32Å; K45-K49 PolarHBondContact O-N 2.82Å
46	K	67.3	Low	61.2	Low	155 Å²	155	122.9 Å²	122.9	67%	0.674	60%	0.595	S	S	*	*	H	α-helix	trans	-72.5	-37.9	176.6	-169.1	175.7	-178.3	-179.8	0	113.2	K42 E43 K44 K49 R50	K42-K46 VanDerWaalsContact O-CB 3.29Å; K42-K46 WeakPolarHBondContact O-CB 3.47Å; K42-K46 PolarHBondContact O-N 3.36Å; E43-K46 CarbonylContact O-C 3.54Å; E43-K46 WeakPolarHBondContact O-CA 3.42Å; E43-K46 WeakPolarHBondContact O-CB 3.4Å; E43-K46 PolarHBondContact O-N 2.67Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.18Å; K46-K49 PolarHBondContact O-N 2.8Å; K46-R50 PolarHBondContact O-N 3.23Å; K46-R50 VanDerWaalsContact O-N 3.15Å
47	K	61.9	Low	59.7	Low	121 Å²	121	125.3 Å²	125.3	53%	0.526	60%	0.602	S	S	.	*	H	α-helix	trans	-63.2	-55.3	169.8	-84.5	169.7	169.6	149.1	0	110.4	E43 K44 K49 R50 D51	E43-K47 PolarHBondContact O-N 3.38Å; E43-K47 IonicContact OE1-NZ 3.53Å; E43-K47 PolarHBondContact OE1-NZ 3.4Å; K44-K47 PolarHBondContact O-N 2.92Å; K47-K49 PolarHBondContact O-N 3.39Å; K47-R50 WeakPolarHBondContact O-CA 3.16Å; K47-R50 WeakPolarHBondContact O-CB 3.14Å; K47-R50 PolarHBondContact O-N 2.87Å; K47-D51 VanDerWaalsContact C-OD2 3.27Å; K47-D51 VanDerWaalsContact O-CG 3.23Å; K47-D51 PolarHBondContact O-N 3.21Å
48	K	56.7	Low	58.3	Low	148 Å²	148	126.4 Å²	126.4	64%	0.643	61%	0.61	S	S	*	*	H	α-helix	trans	-56.9	-24.5	176.8	-165.8	170.5	-176.9	177.5	0	113.9	K44 L52	K44-K48 WeakPolarHBondContact O-CB 3.3Å; K44-K48 PolarHBondContact O-N 3.3Å; K48-L52 HydrophobicContact CG-CD1 4.16Å; K48-L52 WeakPolarHBondContact O-CB 3.39Å; K48-L52 WeakPolarHBondContact O-CD1 3.38Å; K48-L52 WeakPolarHBondContact O-CG 3.29Å
49	K	51.9	Low	56.6	Low	171 Å²	171	133.1 Å²	133.1	74%	0.743	63%	0.63	S	S	*	*	H	α-helix	trans	-83.3	-22.9	170.5	-117.2	-174.3	176.4	-176.6	0	115.2	K45 K46 K47	K45-K49 WeakPolarHBondContact O-CB 3.32Å; K45-K49 PolarHBondContact O-N 2.82Å; K46-K49 PolarHBondContact O-N 2.8Å; K47-K49 PolarHBondContact O-N 3.39Å
50	R	46.7	Very low	54.7	Low	213 Å²	213	131.1 Å²	131.1	80%	0.804	63%	0.627	S	S	*	*	H	α-helix	trans	-80.1	-32	174.1	-129.6	178.1	-170.5	177	0.8	111.7	K46 K47 L52	K46-R50 PolarHBondContact O-N 3.23Å; K46-R50 VanDerWaalsContact O-N 3.15Å; K47-R50 WeakPolarHBondContact O-CA 3.16Å; K47-R50 WeakPolarHBondContact O-CB 3.14Å; K47-R50 PolarHBondContact O-N 2.87Å; R50-L52 VanDerWaalsContact C-N 3.26Å; R50-L52 PolarHBondContact O-N 3.27Å
51	D	45.2	Very low	53	Low	125 Å²	125	131 Å²	131	67%	0.668	63%	0.631	S	S	*	*	S	Bend	trans	-80.9	-6	178.8	-49.9	-37	0	0	0	112.6	K47	K47-D51 VanDerWaalsContact C-OD2 3.27Å; K47-D51 VanDerWaalsContact O-CG 3.23Å; K47-D51 PolarHBondContact O-N 3.21Å
52	L	51.3	Low	51.1	Low	122 Å²	122	136.3 Å²	136.3	64%	0.639	65%	0.653	S	S	*	*	S	Bend	trans	-131.4	55.6	-174.4	-67	176.5	0	0	0	113.3	K48 R50	K48-L52 HydrophobicContact CG-CD1 4.16Å; K48-L52 WeakPolarHBondContact O-CB 3.39Å; K48-L52 WeakPolarHBondContact O-CD1 3.38Å; K48-L52 WeakPolarHBondContact O-CG 3.29Å; R50-L52 VanDerWaalsContact C-N 3.26Å; R50-L52 PolarHBondContact O-N 3.27Å
53	S	34.5	Very low	49.6	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	65%	0.65	S	S	*	*	S	Bend	trans	170.4	150.5	148.7	44.4	0	0	0	0	112.5
54	P	40.3	Very low	48.3	Very low	105 Å²	105	136.6 Å²	136.6	68%	0.682	65%	0.654	S	S	*	*			cis	-128	130.7	-47.4	34.6	-20.2	0	0	0	111.6
55	T	36.5	Very low	46.8	Very low	137 Å²	137	136.3 Å²	136.3	84%	0.84	66%	0.655	S	S	*	*			trans	-131.2	13.6	176.4	49.8	0	0	0	0	113.9
56	A	39.3	Very low	45.7	Very low	66 Å²	66	132.1 Å²	132.1	55%	0.545	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-74.9	-37.6	-177.5	0	0	0	0	0	114	K58 R59	A56-K58 PolarHBondContact O-N 3.41Å; A56-R59 PolarHBondContact O-N 3.22Å
57	D	42.5	Very low	44.7	Very low	124 Å²	124	131.2 Å²	131.2	66%	0.663	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-65.3	-3.4	-169.1	-61.6	-40.3	0	0	0	115.7	I61	D57-I61 WeakPolarHBondContact O-CD1 3.37Å
58	K	41	Very low	43.9	Very low	182 Å²	182	132.7 Å²	132.7	79%	0.791	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-111.6	1.6	175.5	-68.3	-167.4	175.6	-173.9	0	114.8	A56	A56-K58 PolarHBondContact O-N 3.41Å
59	R	40.5	Very low	43.4	Very low	208 Å²	208	130.7 Å²	130.7	79%	0.785	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-37.3	172.5	-74.6	-174.5	172.2	178.1	-2.5	113.2	A56 I61 F62 E63	A56-R59 PolarHBondContact O-N 3.22Å; R59-I61 VanDerWaalsContact C-N 3.27Å; R59-I61 PolarHBondContact O-N 3.27Å; R59-F62 PolarHBondContact O-N 2.89Å; R59-E63 PolarHBondContact O-N 3.42Å
60	E	40.2	Very low	43.1	Very low	112 Å²	112	130.9 Å²	130.9	52%	0.523	65%	0.651	S	S	.	*	H	α-helix	trans	-60	-34.3	176.8	-81.1	-141.7	136.4	0	0	113.9	E63 K64	E60-E63 PolarHBondContact O-N 3.31Å; E60-K64 WeakPolarHBondContact O-CB 3.5Å; E60-K64 VanDerWaalsContact O-CG 3.31Å; E60-K64 WeakPolarHBondContact O-CG 3.33Å; E60-K64 PolarHBondContact O-N 3.37Å; E60-K64 IonicContact OE1-NZ 2.71Å; E60-K64 PolarHBondContact OE1-NZ 3.47Å; E60-K64 IonicContact OE2-NZ 3.58Å; E60-K64 PolarHBondContact OE2-NZ 2.83Å
61	I	42.2	Very low	42.8	Very low	109 Å²	109	127.1 Å²	127.1	56%	0.559	65%	0.646	S	S	*	*	H	α-helix	trans	-65.4	-48.8	-176.7	-60.8	178.3	0	0	0	110.6	D57 R59 E63 K64 E65	D57-I61 WeakPolarHBondContact O-CD1 3.37Å; R59-I61 VanDerWaalsContact C-N 3.27Å; R59-I61 PolarHBondContact O-N 3.27Å; I61-E63 PolarHBondContact O-N 3.18Å; I61-K64 PolarHBondContact O-N 2.71Å; I61-E65 PolarHBondContact O-N 3.07Å
62	F	40.3	Very low	42.5	Very low	158 Å²	158	127.7 Å²	127.7	69%	0.693	64%	0.644	S	S	*	*	H	α-helix	trans	-66.3	-35.4	178.5	-90.3	-83.9	0	0	0	113	R59 A66	R59-F62 PolarHBondContact O-N 2.89Å; F62-A66 WeakPolarHBondContact O-CB 3.15Å; F62-A66 PolarHBondContact O-N 2.87Å; F62-A66 VanDerWaalsContact O-N 3.16Å
63	E	44.5	Very low	42.1	Very low	108 Å²	108	129.8 Å²	129.8	51%	0.505	65%	0.651	S	S	.	*	H	α-helix	trans	-74.7	-28.6	179.8	-144.4	-172.3	141	0	0	112.8	R59 E60 I61 K67	R59-E63 PolarHBondContact O-N 3.42Å; E60-E63 PolarHBondContact O-N 3.31Å; I61-E63 PolarHBondContact O-N 3.18Å; E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.77Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 2.86Å; E63-K67 PolarHBondContact OE1-NZ 2.82Å
64	K	44.9	Very low	42.5	Very low	126 Å²	126	132 Å²	132	55%	0.548	65%	0.65	S	S	.	*	H	α-helix	trans	-75.4	-31.2	175.9	-75.3	170.3	-179.3	170.6	0	112.8	E60 I61	E60-K64 WeakPolarHBondContact O-CB 3.5Å; E60-K64 VanDerWaalsContact O-CG 3.31Å; E60-K64 WeakPolarHBondContact O-CG 3.33Å; E60-K64 PolarHBondContact O-N 3.37Å; E60-K64 IonicContact OE1-NZ 2.71Å; E60-K64 PolarHBondContact OE1-NZ 3.47Å; E60-K64 IonicContact OE2-NZ 3.58Å; E60-K64 PolarHBondContact OE2-NZ 2.83Å; I61-K64 PolarHBondContact O-N 2.71Å
65	E	43.9	Very low	42.4	Very low	130 Å²	130	134.3 Å²	134.3	61%	0.607	65%	0.651	S	S	*	*	H	α-helix	trans	-73.1	-45.5	170.4	-69	-161.7	123.1	0	0	112.5	I61 K67 K68 V69	I61-E65 PolarHBondContact O-N 3.07Å; E65-K67 VanDerWaalsContact C-N 3.25Å; E65-K67 PolarHBondContact O-N 3.39Å; E65-K68 PolarHBondContact O-N 2.91Å; E65-V69 PolarHBondContact O-N 2.59Å
66	A	47.3	Very low	42.5	Very low	59 Å²	59	135.2 Å²	135.2	49%	0.488	65%	0.646	S	S	.	*	H	α-helix	trans	-57.4	-36.3	-179.6	0	0	0	0	0	113.3	F62	F62-A66 WeakPolarHBondContact O-CB 3.15Å; F62-A66 PolarHBondContact O-N 2.87Å; F62-A66 VanDerWaalsContact O-N 3.16Å
67	K	47.6	Very low	42.4	Very low	135 Å²	135	138.5 Å²	138.5	59%	0.587	65%	0.654	S	S	*	*	H	α-helix	trans	-76.5	-24.3	176.8	-69.6	175	-174.1	172.8	0	113.3	E63 E65	E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.77Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 2.86Å; E63-K67 PolarHBondContact OE1-NZ 2.82Å; E65-K67 VanDerWaalsContact C-N 3.25Å; E65-K67 PolarHBondContact O-N 3.39Å
68	K	45	Very low	42	Very low	152 Å²	152	142.4 Å²	142.4	66%	0.661	66%	0.661	S	S	*	*	H	α-helix	trans	-76.4	-35.9	177.8	-149.9	174.4	-173.5	-177.2	0	112.4	E65	E65-K68 PolarHBondContact O-N 2.91Å
69	V	45.6	Very low	41.8	Very low	107 Å²	107	141.9 Å²	141.9	65%	0.648	66%	0.661	S	S	*	*	H	α-helix	trans	-67.2	-41.2	177.1	177.5	0	0	0	0	112	E65 L71	E65-V69 PolarHBondContact O-N 2.59Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 2.88Å
70	K	45.3	Very low	41.5	Very low	174 Å²	174	140 Å²	140	76%	0.757	66%	0.662	S	S	*	*	H	α-helix	trans	-67.9	-26.2	-179.8	-83.3	-168.8	171.8	-174.2	0	114.6
71	L	41.7	Very low	41.3	Very low	135 Å²	135	143.3 Å²	143.3	71%	0.707	68%	0.677	S	S	*	*	H	α-helix	trans	-73.8	-38.9	-179.9	-148.4	77.1	0	0	0	112.4	V69 H73 H74	V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 2.88Å; L71-H73 VanDerWaalsContact C-N 3.33Å; L71-H73 PolarHBondContact O-N 2.84Å; L71-H74 PolarHBondContact O-N 3.32Å
72	H	39	Very low	40.9	Very low	137 Å²	137	147.5 Å²	147.5	63%	0.634	69%	0.694	S	S	*	*	H	α-helix	trans	-67	-29.7	-179.1	-87.9	-78.6	0	0	0	113.9
73	H	42.6	Very low	40.5	Very low	166 Å²	166	144.8 Å²	144.8	77%	0.769	70%	0.701	S	S	*	*	H	α-helix	trans	-75.9	-25.7	178.8	-127	71	0	0	0	113.1	L71	L71-H73 VanDerWaalsContact C-N 3.33Å; L71-H73 PolarHBondContact O-N 2.84Å
74	H	41.2	Very low	39.9	Very low	142 Å²	142	148 Å²	148	66%	0.657	72%	0.715	S	S	*	*	H	α-helix	trans	-85.5	-23.6	-175.2	-138.3	-43.9	0	0	0	113.8	L71	L71-H74 PolarHBondContact O-N 3.32Å
75	H	38.7	Very low	39.2	Very low	153 Å²	153	149 Å²	149	71%	0.708	73%	0.727	S	S	*	*	H	α-helix	trans	-82.2	-27.2	-178.7	-153.7	60.9	0	0	0	113.1	N77	H75-N77 VanDerWaalsContact C-N 3.35Å; H75-N77 PolarHBondContact O-N 2.93Å
76	H	38.8	Very low	38.4	Very low	157 Å²	157	154 Å²	154	73%	0.727	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-18.9	-178.7	-110.6	-61.8	0	0	0	114.7
77	N	38.4	Very low	37.5	Very low	134 Å²	134	155.1 Å²	155.1	72%	0.717	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	15.8	-172.4	-152.4	27	0	0	0	114.1	H75	H75-N77 VanDerWaalsContact C-N 3.35Å; H75-N77 PolarHBondContact O-N 2.93Å
78	Y	34.1	Very low	36.6	Very low	206 Å²	206	157.6 Å²	157.6	81%	0.808	76%	0.757	S	S	*	*	S	Bend	trans	-120	4.3	178.1	-122	-90.6	0	0	0	113.7
79	Q	35.7	Very low	35.9	Very low	171 Å²	171	159 Å²	159	80%	0.799	77%	0.767	S	S	*	*	S	Bend	trans	-118.9	25.4	-174.7	-152.8	174.5	12.8	0	0	112.9
80	Q	34.9	Very low	36.2	Very low	170 Å²	170	158 Å²	158	79%	0.794	76%	0.762	S	S	*	*	S	Bend	trans	-140.2	18.5	-173.2	-143.9	173.1	17.9	0	0	115.2
81	Q	36.3	Very low	35.6	Very low	181 Å²	181	157.1 Å²	157.1	85%	0.846	76%	0.76	S	S	*	*	S	Bend	trans	-131.3	4.2	179.6	-77.2	-166.7	-21.8	0	0	116.6
82	H	32.3	Very low	35	Very low	197 Å²	197	157.3 Å²	157.3	91%	0.912	76%	0.757	S	S	*	*			trans	-129.6	80.2	172.5	-74.6	-54	0	0	0	111.8
83	A	32.1	Very low	34.6	Very low	101 Å²	101	157.1 Å²	157.1	84%	0.835	76%	0.76	S	S	*	*			trans	-148.6	46.6	174.2	0	0	0	0	0	111.7
84	E	32.5	Very low	34	Very low	174 Å²	174	155.8 Å²	155.8	81%	0.813	75%	0.754	S	S	*	*			trans	-151.3	128.8	175.1	-131.6	172.4	-125.9	0	0	112.1
85	N	29.7	Very low	33.4	Very low	148 Å²	148	157.2 Å²	157.2	79%	0.791	76%	0.762	S	S	*	*			trans	63.2	146.4	-179.2	-60.4	-64.9	0	0	0	115.8
86	R	27.3	Very low	32.9	Very low	236 Å²	236	156.2 Å²	156.2	89%	0.891	76%	0.761	S	S	*	*			cis	-151.6	142.9	7.1	-152.5	178.5	-174.9	170.9	0.9	110.9
87	S	28.6	Very low	33.4	Very low	81 Å²	81	153.9 Å²	153.9	57%	0.566	76%	0.76	S	S	*	*			trans	-91.5	154	164.5	46.8	0	0	0	0	111.7
88	H	29.6	Very low	33.1	Very low	187 Å²	187	155 Å²	155	87%	0.866	76%	0.761	S	S	*	*				161.8	163.4	122.9	-80.4	-61.5	0	0	0	113
89	Q	29.2	Very low	33	Very low	183 Å²	183	150.4 Å²	150.4	86%	0.855	76%	0.755	S	S	*	*			trans	-119.3	-166.6	-171.4	-130	-172.4	18.8	0	0	107.8
90	P	52.5	Low	32.7	Very low	84 Å²	84	150 Å²	150	55%	0.545	75%	0.753	S	S	.	*			cis	-141.5	-166.8	-9.7	37	-14.4	0	0	0	116.2
91	H	31.5	Very low	32.3	Very low	156 Å²	156	147 Å²	147	72%	0.722	74%	0.742	S	S	*	*			trans	79.5	153.9	147.3	-73.3	-9.4	0	0	0	120.1
92	Q	30.2	Very low	31.8	Very low	139 Å²	139	147.3 Å²	147.3	65%	0.65	74%	0.741	S	S	*	*			cis	-161.9	154.4	-0.9	-120.6	172.1	23.6	0	0	113.7
93	L	30.2	Very low	31.5	Very low	133 Å²	133	142.1 Å²	142.1	70%	0.696	73%	0.727	S	S	*	*			trans	61.1	161.8	147.6	-66.2	162.5	0	0	0	120.1
94	Q	29.9	Very low	31.3	Very low	138 Å²	138	142.7 Å²	142.7	65%	0.645	72%	0.72	S	S	*	*			cis	-154.2	134.8	1.8	-148.7	160.8	-34.6	0	0	116.4
95	Q	30	Very low	31.2	Very low	173 Å²	173	141.3 Å²	141.3	81%	0.808	72%	0.719	S	S	*	*			trans	57.7	-179.7	141.9	-68.2	172.1	-19.6	0	0	125.1
96	N	27.6	Very low	31.3	Very low	131 Å²	131	143.6 Å²	143.6	70%	0.701	72%	0.721	S	S	*	*			trans	-144	162.1	-153	-179.6	33.4	0	0	0	109.6	Q98	N96-Q98 PolarHBondContact OD1-N 3.17Å
97	P	49.8	Very low	31.3	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	72%	0.718	S	S	*	*				-139.6	140	113.9	14.5	8.2	0	0	0	113.7
98	Q	32	Very low	31.3	Very low	158 Å²	158	142.5 Å²	142.5	74%	0.738	73%	0.725	S	S	*	*				63.8	139.6	81.6	-68.4	-156.6	-31.9	0	0	115.6	N96	N96-Q98 PolarHBondContact OD1-N 3.17Å
99	T	30.5	Very low	31.2	Very low	109 Å²	109	140.4 Å²	140.4	67%	0.669	72%	0.719	S	S	*	*			cis	-165.6	-178.5	-0.5	15.7	0	0	0	0	111.8
100	Q	29.1	Very low	31	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.752	72%	0.715	S	S	*	*			trans	94.4	133.2	158.8	-58.2	-154.2	16.6	0	0	117.4
101	N	26.9	Very low	29.7	Very low	109 Å²	109	142.5 Å²	142.5	58%	0.583	72%	0.724	S	S	*	*			cis	-150.9	150.6	-0.7	-94.5	-23.2	0	0	0	114.1
102	F	26.7	Very low	29.4	Very low	187 Å²	187	142.8 Å²	142.8	82%	0.82	73%	0.726	S	S	*	*			trans	20.1	145.8	144.9	-61.9	-71.2	0	0	0	123
103	S	25.9	Very low	29.3	Very low	87 Å²	87	144.3 Å²	144.3	61%	0.608	73%	0.733	S	S	*	*			cis	-170.7	150.3	-12.1	-157.8	0	0	0	0	113.5
104	T	28.5	Very low	29.1	Very low	114 Å²	114	145 Å²	145	70%	0.699	73%	0.732	S	S	*	*			trans	32.9	139.7	142.9	52.9	0	0	0	0	122.9
105	D	29.6	Very low	29.1	Very low	145 Å²	145	146.4 Å²	146.4	78%	0.775	74%	0.738	S	S	*	*			cis	-160	-171.9	-6.2	-140.2	-36.5	0	0	0	113.6
106	K	32.4	Very low	29	Very low	195 Å²	195	146.4 Å²	146.4	85%	0.848	74%	0.738	S	S	*	*			trans	-108.8	179.1	-158.5	-66.9	175.3	179.1	173.4	0	116.8
107	H	26.7	Very low	28.9	Very low	179 Å²	179	143.6 Å²	143.6	83%	0.829	74%	0.74	S	S	*	*			trans	-109.4	133.7	-175.3	-129.3	-103	0	0	0	112.7
108	V	27.7	Very low	27.8	Very low	115 Å²	115	146.1 Å²	146.1	70%	0.697	74%	0.742	S	S	*	*			trans	71.2	147.4	155	-135.2	0	0	0	0	122.7
109	L	27.8	Very low	27.7	Very low	143 Å²	143	146.6 Å²	146.6	75%	0.749	74%	0.744	S	S	*	*			trans	83.9	133.6	160.8	-59	-179.6	0	0	0	116.7
110	H	25.4	Very low	28.1	Very low	169 Å²	169	146.9 Å²	146.9	78%	0.782	75%	0.748	S	S	*	*			cis	-162.1	-177.2	4.3	-147.1	10	0	0	0	113.1
111	I	24.8	Very low	28.3	Very low	143 Å²	143	148.8 Å²	148.8	73%	0.733	76%	0.756	S	S	*	*			trans	108	116.8	158.1	-66.1	164.4	0	0	0	121.4
112	H	26.1	Very low	28.3	Very low	161 Å²	161	147.1 Å²	147.1	75%	0.745	77%	0.765	S	S	*	*			trans	23.9	131.9	152.2	-63.8	-53.9	0	0	0	126.1
113	H	27.9	Very low	28.6	Very low	172 Å²	172	146 Å²	146	80%	0.796	77%	0.766	S	S	*	*				-151.3	176.8	105.6	-120.2	64.1	0	0	0	115.6
114	H	26.9	Very low	28.8	Very low	147 Å²	147	148.3 Å²	148.3	68%	0.681	78%	0.777	S	S	*	*			trans	-72.9	176.5	-176.7	-64.7	-92.1	0	0	0	113.1
115	H	28.6	Very low	28.7	Very low	168 Å²	168	150.5 Å²	150.5	78%	0.778	78%	0.784	S	S	*	*			cis	-163.5	-164	40.8	-120.2	-45.4	0	0	0	116
116	H	27.7	Very low	28.5	Very low	172 Å²	172	147 Å²	147	80%	0.796	78%	0.782	S	S	*	*			trans	-82.7	159.9	-167.3	-75.8	-79.7	0	0	0	117.5
117	G	26.7	Very low	28.4	Very low	73 Å²	73	143.3 Å²	143.3	75%	0.753	78%	0.776	S	S	*	*			trans	160.1	93.4	155.6	0	0	0	0	0	112.2
118	H	26.2	Very low	28.6	Very low	161 Å²	161	143.7 Å²	143.7	75%	0.745	78%	0.776	S	S	*	*				71.9	129.9	74.3	-94.7	-87.4	0	0	0	117.6
119	H	30.8	Very low	28.7	Very low	168 Å²	168	147.3 Å²	147.3	78%	0.778	78%	0.782	S	S	*	*			trans	75.3	161.6	170.2	-59.5	-71.1	0	0	0	118
120	P	37.6	Very low	28.7	Very low	116 Å²	116	145.5 Å²	145.5	75%	0.753	78%	0.781	S	S	*	*				-137.6	172	-62.7	40.1	-24.7	0	0	0	114.5
121	H	34.1	Very low	28.8	Very low	200 Å²	200	145.3 Å²	145.3	93%	0.926	79%	0.785	S	S	*	*			trans	-82	146.5	161.5	-86.9	-72.4	0	0	0	111.8
122	G	26.5	Very low	29.2	Very low	74 Å²	74	146.2 Å²	146.2	76%	0.763	79%	0.786	S	S	*	*			trans	-142.7	154.8	171.7	0	0	0	0	0	111.5
123	L	32.9	Very low	29.8	Very low	163 Å²	163	144.9 Å²	144.9	85%	0.853	79%	0.792	S	S	*	*			trans	-122.2	143	-164.7	-72.6	154.4	0	0	0	113.8
124	T	28.9	Very low	29.9	Very low	137 Å²	137	139.7 Å²	139.7	84%	0.84	78%	0.779	S	S	*	*			trans	-146	111.1	151.7	51.2	0	0	0	0	107.9
125	N	28	Very low	30.4	Very low	159 Å²	159	142 Å²	142	85%	0.85	79%	0.788	S	S	*	*				70.4	118.8	65.4	-77.5	-20.9	0	0	0	115.3
126	G	25.7	Very low	31.1	Very low	71 Å²	71	140.4 Å²	140.4	73%	0.732	79%	0.792	S	S	*	*			trans	-170.9	10.6	-175.7	0	0	0	0	0	121
127	T	29.4	Very low	31.3	Very low	118 Å²	118	136.6 Å²	136.6	72%	0.724	79%	0.79	S	S	*	*			trans	26.1	142	157.9	54.4	0	0	0	0	125.5
128	K	30.6	Very low	31.5	Very low	187 Å²	187	140.7 Å²	140.7	81%	0.813	79%	0.789	S	S	*	*			trans	76.9	149.9	150.4	-69.7	155.6	-174.7	171.3	0	116.9
129	K	29.6	Very low	31.7	Very low	191 Å²	191	141.7 Å²	141.7	83%	0.83	79%	0.792	S	S	*	*			cis	-144.3	134.9	1.5	-109.5	165.4	179.3	-177.6	0	107.1
130	S	27.8	Very low	31.9	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	80%	0.8	S	S	*	*				62.8	115	84.9	-168.5	0	0	0	0	117.2
131	L	28.9	Very low	31.6	Very low	165 Å²	165	145 Å²	145	86%	0.864	80%	0.804	S	S	*	*				-174.3	150.2	117.4	-99.2	168.4	0	0	0	113.5
132	Q	32.7	Very low	31.6	Very low	162 Å²	162	141.8 Å²	141.8	76%	0.757	80%	0.798	S	S	*	*			trans	-107.2	176.7	161	-75.8	-172.9	-22.4	0	0	109.1
133	P	38.8	Very low	32.4	Very low	133 Å²	133	143.5 Å²	143.5	86%	0.864	80%	0.796	S	S	*	*				-136.1	170.7	110.2	38.8	-30	0	0	0	113.8
134	A	29.5	Very low	32.9	Very low	63 Å²	63	141.9 Å²	141.9	52%	0.521	80%	0.795	S	S	.	*			trans	-149.1	130.7	-173.3	0	0	0	0	0	114.6
135	F	36.9	Very low	33.2	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.864	80%	0.796	S	S	*	*			trans	61.2	156.1	164	-49.3	-62.9	0	0	0	117.8
136	P	42.7	Very low	33.9	Very low	133 Å²	133	142 Å²	142	86%	0.864	79%	0.791	S	S	*	*				-123.2	-178.9	73.7	39.6	-32.2	0	0	0	114.2
137	A	31.9	Very low	34.7	Very low	92 Å²	92	144.9 Å²	144.9	76%	0.76	80%	0.797	S	S	*	*			trans	-126	155.7	-174.1	0	0	0	0	0	113.4
138	Q	32.5	Very low	34.8	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	80%	0.8	S	S	*	*			trans	-157.7	131.2	157.9	-115.6	-174.9	84.4	0	0	114.9
139	K	30.5	Very low	34.9	Very low	182 Å²	182	141.9 Å²	141.9	79%	0.791	80%	0.798	S	S	*	*			trans	63.5	143.3	149.5	-68.6	166.1	-176.4	159.5	0	121.5
140	R	34.7	Very low	35	Very low	253 Å²	253	142.2 Å²	142.2	96%	0.955	80%	0.799	S	S	*	*			trans	-66.8	150.9	176.8	-75.4	170.7	160.2	164.4	-8.4	113.3
141	A	29.9	Very low	35	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	80%	0.799	S	S	*	*			trans	-137.2	168	152.7	0	0	0	0	0	110
142	V	35.9	Very low	35.1	Very low	132 Å²	132	144.3 Å²	144.3	80%	0.8	80%	0.799	S	S	*	*			trans	-120.7	143.7	-173	176.6	0	0	0	0	109.2
143	P	42.9	Very low	35.1	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.7	150.3	177	27.2	-36.1	0	0	0	113
144	P	42.7	Very low	35	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.6	153.9	-172.7	31.6	-36.2	0	0	0	114
145	Q	36.3	Very low	35	Very low	184 Å²	184	147.7 Å²	147.7	86%	0.86	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-96.7	154.7	167.6	-73.8	-173.4	-16.2	0	0	111.4
146	P	42.2	Very low	34.6	Very low	114 Å²	114	147.5 Å²	147.5	74%	0.74	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72.6	152.9	167.9	32.4	-35.3	0	0	0	111.6
147	P	41.6	Very low	34	Very low	133 Å²	133	147.2 Å²	147.2	86%	0.864	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-77.3	143.1	179.3	32	-34.8	0	0	0	112.1
148	A	32.2	Very low	33.8	Very low	95 Å²	95	148.8 Å²	148.8	79%	0.785	81%	0.811	S	S	*	*			trans	-142.6	123.7	167.8	0	0	0	0	0	110
149	L	32.3	Very low	33.5	Very low	147 Å²	147	150.2 Å²	150.2	77%	0.77	82%	0.815	S	S	*	*			trans	-167.6	111	161.8	-114.9	172.9	0	0	0	110.4
150	F	31.4	Very low	33.3	Very low	197 Å²	197	145.8 Å²	145.8	86%	0.864	81%	0.812	S	S	*	*			trans	-165.9	117.7	131.5	-102.4	-64.1	0	0	0	108.4
151	T	28.3	Very low	32.9	Very low	118 Å²	118	141.4 Å²	141.4	72%	0.724	80%	0.803	S	S	*	*			trans	-125.5	130.2	-178.4	49.7	0	0	0	0	109.7
152	F	31.8	Very low	33.3	Very low	196 Å²	196	141.3 Å²	141.3	86%	0.86	79%	0.793	S	S	*	*			trans	-124.9	143.5	164.5	-87	-81.2	0	0	0	110.5
153	T	32.8	Very low	32.8	Very low	127 Å²	127	143.3 Å²	143.3	78%	0.779	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-91.4	151.8	-168.9	46	0	0	0	0	113.2
154	P	35.8	Very low	32	Very low	126 Å²	126	146.1 Å²	146.1	82%	0.818	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-77.4	142.5	179.8	31.8	-35.4	0	0	0	113.3
155	L	29	Very low	31.3	Very low	177 Å²	177	146.9 Å²	146.9	93%	0.927	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-102.1	172.2	166.7	-81.5	167.3	0	0	0	111.4
156	K	30.1	Very low	30.8	Very low	192 Å²	192	147.8 Å²	147.8	84%	0.835	80%	0.795	S	S	*	*			trans	-150.8	164.4	-159.2	-151.1	177.3	-173.4	178.1	0	112.3
157	V	29.8	Very low	30.2	Very low	127 Å²	127	149.1 Å²	149.1	77%	0.77	80%	0.796	S	S	*	*			trans	69.1	150.8	171.5	-125.8	0	0	0	0	112.8
158	V	26.7	Very low	29.5	Very low	125 Å²	125	153.1 Å²	153.1	76%	0.758	80%	0.799	S	S	*	*			cis	-146.4	154.7	26.7	-177.2	0	0	0	0	114.8
159	K	26.6	Very low	29.3	Very low	189 Å²	189	155.9 Å²	155.9	82%	0.822	80%	0.796	S	S	*	*			trans	-17.3	166.8	163.1	-63.9	178	178.3	-179.2	0	120.1
160	A	25.7	Very low	29.1	Very low	89 Å²	89	160 Å²	160	74%	0.736	80%	0.801	S	S	*	*			cis	-147.3	156.2	33.9	0	0	0	0	0	113.8
161	Q	26.4	Very low	29.1	Very low	162 Å²	162	157.7 Å²	157.7	76%	0.757	79%	0.793	S	S	*	*			cis	73.5	149	45.4	-84.2	-103.7	-19.5	0	0	114.6
162	P	39.3	Very low	29.1	Very low	99 Å²	99	161.8 Å²	161.8	64%	0.643	80%	0.801	S	S	*	*			cis	-101.8	-142.8	6	30.2	-10.6	0	0	0	111.9
163	Q	25.7	Very low	29.1	Very low	174 Å²	174	160.9 Å²	160.9	81%	0.813	80%	0.799	S	S	*	*			cis	-160.8	174.8	3.2	-151.8	-179.4	-76.6	0	0	111.6
164	E	26.3	Very low	29.2	Very low	170 Å²	170	162.8 Å²	162.8	79%	0.794	80%	0.799	S	S	*	*			trans	-128	168.2	174.3	-57.3	178.2	130.4	0	0	112.6
165	L	27	Very low	28.9	Very low	144 Å²	144	164.5 Å²	164.5	75%	0.754	79%	0.794	S	S	*	*				164.6	127.8	122.5	-94.4	165.8	0	0	0	115.1
166	K	25.3	Very low	28.9	Very low	203 Å²	203	163 Å²	163	88%	0.883	79%	0.786	S	S	*	*				172.3	122.8	117.7	-97	170.1	-176.3	172.2	0	114.4
167	D	29.9	Very low	28.8	Very low	142 Å²	142	162.7 Å²	162.7	76%	0.759	79%	0.785	S	S	*	*			trans	-76.2	162.6	164.4	-57.4	-83.9	0	0	0	113.7
168	K	27.1	Very low	28.8	Very low	216 Å²	216	163.8 Å²	163.8	94%	0.939	79%	0.785	S	S	*	*				-168.4	157.6	108.3	-103.6	168	-175.3	179.1	0	115.5
169	H	29	Very low	28.9	Very low	153 Å²	153	165.8 Å²	165.8	71%	0.708	78%	0.784	S	S	*	*			trans	-114	146.6	-166.4	172.5	-85	0	0	0	112.1	E171	H169-E171 IonicContact CE1-OE2 3.78Å
170	R	27.2	Very low	29.1	Very low	233 Å²	233	164.3 Å²	164.3	88%	0.879	78%	0.777	S	S	*	*			trans	-165.1	139.9	153.3	-129	175.9	-179	173.4	1.7	115.3
171	E	31.1	Very low	29.2	Very low	149 Å²	149	166.8 Å²	166.8	70%	0.696	77%	0.773	S	S	*	*			trans	-88.9	172.6	171.9	-40.4	119.1	101.7	0	0	112.9	H169	H169-E171 IonicContact CE1-OE2 3.78Å
172	K	28.5	Very low	29.3	Very low	205 Å²	205	166.1 Å²	166.1	89%	0.891	78%	0.775	S	S	*	*				-168	136.2	125.1	-109.5	174.3	-178.7	-173.4	0	114.2
173	E	31.1	Very low	28.8	Very low	176 Å²	176	166 Å²	166	82%	0.822	78%	0.777	S	S	*	*			trans	-93.8	160.5	166.4	-62.2	-169.6	129.7	0	0	112.8
174	H	34.8	Very low	28.9	Very low	168 Å²	168	166.9 Å²	166.9	78%	0.778	78%	0.781	S	S	*	*			trans	-178.8	149.6	146.4	-89.7	-5.5	0	0	0	108.2
175	K	29.5	Very low	29	Very low	161 Å²	161	163.3 Å²	163.3	70%	0.7	78%	0.781	S	S	*	*			cis	-162.2	148.1	1.5	-122.6	173.3	178.5	-178.7	0	112.8
176	L	30.2	Very low	29	Very low	146 Å²	146	164 Å²	164	76%	0.764	79%	0.785	S	S	*	*			trans	60.8	114.7	142.5	-74	164.7	0	0	0	124.9
177	K	27.5	Very low	29.2	Very low	186 Å²	186	159.2 Å²	159.2	81%	0.809	77%	0.772	S	S	*	*			trans	-30.6	150	149	-49.7	167.6	179.9	178.4	0	118.7
178	L	30.6	Very low	29.1	Very low	150 Å²	150	162 Å²	162	79%	0.785	78%	0.778	S	S	*	*				174.2	157.9	125.6	-115.8	72	0	0	0	109.3
179	K	29.1	Very low	29.3	Very low	166 Å²	166	158.5 Å²	158.5	72%	0.722	77%	0.769	S	S	*	*			cis	-167.3	146.7	-3.6	-155.4	-172.1	-161.7	174.7	0	109.9
180	K	30	Very low	29.5	Very low	159 Å²	159	157.1 Å²	157.1	69%	0.691	77%	0.773	S	S	*	*			trans	56.5	162.3	149.9	-101.7	170.7	156.8	-130.2	0	119.5
181	E	27.1	Very low	29.5	Very low	140 Å²	140	153.1 Å²	153.1	65%	0.654	77%	0.765	S	S	*	*			cis	-148.9	178.1	2.5	-162	133.8	-167.7	0	0	112.3
182	N	28.4	Very low	29.4	Very low	149 Å²	149	151.3 Å²	151.3	80%	0.797	76%	0.759	S	S	*	*			trans	-75	-174.1	169.5	-54.6	-21.9	0	0	0	110.7
183	S	29.3	Very low	29.4	Very low	97 Å²	97	150 Å²	150	68%	0.678	75%	0.754	S	S	*	*			cis	-172.8	145.2	25.9	47.6	0	0	0	0	114.1
184	E	28.5	Very low	29.3	Very low	192 Å²	192	151.4 Å²	151.4	90%	0.897	76%	0.757	S	S	*	*			trans	55.4	-177.6	135.5	-58.6	-171.2	152.6	0	0	123.2
185	A	28.2	Very low	29	Very low	95 Å²	95	150.6 Å²	150.6	79%	0.785	75%	0.751	S	S	*	*			trans	79.6	64	166.3	0	0	0	0	0	121
186	N	27.6	Very low	28.8	Very low	157 Å²	157	152.2 Å²	152.2	84%	0.84	76%	0.758	S	S	*	*				21.1	152	110.4	-156.7	6.4	0	0	0	121
187	V	28.7	Very low	28.7	Very low	103 Å²	103	151 Å²	151	62%	0.624	75%	0.748	S	S	*	*			trans	95.4	102.6	157	-169.1	0	0	0	0	121.2
188	K	28	Very low	28.7	Very low	200 Å²	200	149 Å²	149	87%	0.87	75%	0.746	S	S	*	*			trans	83.6	146.8	140.2	-74.8	172	-171.1	173.8	0	125.1
189	L	30.3	Very low	28.8	Very low	144 Å²	144	147.8 Å²	147.8	75%	0.754	74%	0.744	S	S	*	*			trans	-68.3	164.8	166.7	-153.9	80.5	0	0	0	112.2	E191	L189-E191 HydrophobicContact CD2-CG 4.17Å
190	P	34.7	Very low	29.8	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	74%	0.742	S	S	*	*				-141.5	172.5	103.4	39.7	-28	0	0	0	116
191	E	26.6	Very low	29.6	Very low	150 Å²	150	144.3 Å²	144.3	70%	0.701	75%	0.747	S	S	*	*			trans	-77.7	-172.7	175.8	-44.2	178	130.5	0	0	112.6	L189	L189-E191 HydrophobicContact CD2-CG 4.17Å
192	L	27.8	Very low	29.7	Very low	110 Å²	110	143.9 Å²	143.9	58%	0.576	75%	0.749	S	S	*	*			cis	-167.6	175.6	9.7	-159.2	55.2	0	0	0	110.7
193	K	28.7	Very low	29.9	Very low	179 Å²	179	145.2 Å²	145.2	78%	0.778	75%	0.751	S	S	*	*			trans	71.2	153.5	160.5	-74.5	139.1	-176.3	165.1	0	115.8
194	K	28.9	Very low	30	Very low	205 Å²	205	148.6 Å²	148.6	89%	0.891	76%	0.761	S	S	*	*			cis	-132.7	-160.6	15.9	-144.4	171.7	-167.4	-179.9	0	113.1
195	K	29.6	Very low	30.2	Very low	150 Å²	150	142 Å²	142	65%	0.652	74%	0.744	S	S	*	*			trans	-154.1	132.3	-137.9	-176.3	-137.5	-170.9	-171	0	115.7	E197	K195-E197 HydrophobicContact CD-CG 4.06Å; K195-E197 WeakPolarHBondContact CD-OE1 3.28Å; K195-E197 WeakPolarHBondContact CE-OE1 3.18Å; K195-E197 HydrophobicContact CG-CG 4.37Å; K195-E197 IonicContact NZ-OE1 2.74Å; K195-E197 PolarHBondContact NZ-OE1 3.28Å
196	K	25.5	Very low	30.4	Very low	196 Å²	196	147 Å²	147	85%	0.852	75%	0.748	S	S	*	*			trans	-151.4	118.2	154.3	-82.3	-169.7	173.7	-177.1	0	108.2
197	E	27.1	Very low	30.7	Very low	119 Å²	119	145 Å²	145	56%	0.556	75%	0.747	S	S	*	*			cis	85	138.2	47.5	-68.8	-176.4	160	0	0	113.3	K195	K195-E197 HydrophobicContact CD-CG 4.06Å; K195-E197 WeakPolarHBondContact CD-OE1 3.28Å; K195-E197 WeakPolarHBondContact CE-OE1 3.18Å; K195-E197 HydrophobicContact CG-CG 4.37Å; K195-E197 IonicContact NZ-OE1 2.74Å; K195-E197 PolarHBondContact NZ-OE1 3.28Å
198	L	28.5	Very low	31.2	Very low	145 Å²	145	146.9 Å²	146.9	76%	0.759	75%	0.753	S	S	*	*			cis	-166.6	164.4	-7.3	-88.7	160.1	0	0	0	104.1
199	V	31.8	Very low	32.2	Very low	125 Å²	125	142.4 Å²	142.4	76%	0.758	74%	0.742	S	S	*	*			cis	-173.2	170.5	6	113.7	0	0	0	0	107.1
200	P	50.8	Low	32.6	Very low	104 Å²	104	142.7 Å²	142.7	68%	0.675	74%	0.744	S	S	*	*			trans	-124.1	179.7	-163.9	44.3	-33.9	0	0	0	117.2
201	N	25.9	Very low	33	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	74%	0.74	S	S	*	*			trans	-172.6	161.5	142.7	-104.9	-4.9	0	0	0	110.3
202	N	28.3	Very low	33.9	Very low	131 Å²	131	142 Å²	142	70%	0.701	73%	0.73	S	S	*	*			cis	-142.8	-180	5.4	-151.1	1.4	0	0	0	113
203	E	33.8	Very low	34.6	Very low	178 Å²	178	145.8 Å²	145.8	83%	0.832	74%	0.738	S	S	*	*			trans	-74.2	152	-168.7	-54.7	167.4	140.5	0	0	117.3
204	N	31.2	Very low	35.4	Very low	167 Å²	167	143.3 Å²	143.3	89%	0.893	73%	0.732	S	S	*	*				-169.3	154.5	101.2	-156.5	-17.2	0	0	0	109.8
205	G	31.6	Very low	36.1	Very low	53 Å²	53	140.7 Å²	140.7	55%	0.546	73%	0.727	S	S	.	*			trans	-147.3	159.9	-173	0	0	0	0	0	115.9
206	K	32.5	Very low	36.7	Very low	200 Å²	200	142 Å²	142	87%	0.87	73%	0.733	S	S	*	*			trans	-174.9	117.1	152.1	-100.7	145.7	-170.6	172.9	0	110.1
207	S	35.4	Very low	37.4	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-82.8	130	163.6	39	0	0	0	0	109.2
208	L	37.8	Very low	37.9	Very low	142 Å²	142	145.7 Å²	145.7	74%	0.743	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-99.1	137.2	173.9	-71.9	172.9	0	0	0	110.4
209	T	48.8	Very low	38.4	Very low	106 Å²	106	148.3 Å²	148.3	65%	0.65	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-92	160.8	-171.3	45.5	0	0	0	0	112.9	E211 E212	T209-E211 PolarHBondContact O-N 3.28Å; T209-E212 PolarHBondContact O-N 2.84Å
210	L	39.8	Very low	38.6	Very low	150 Å²	150	152.5 Å²	152.5	79%	0.785	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-21.5	-171.1	-173.8	59.9	0	0	0	114.9
211	E	43.4	Very low	38	Very low	155 Å²	155	157.8 Å²	157.8	72%	0.724	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-33	-175.5	-60.6	-165.3	122.7	0	0	113.9	T209 Y213 L214	T209-E211 PolarHBondContact O-N 3.28Å; E211-Y213 PolarHBondContact O-N 2.99Å; E211-L214 PolarHBondContact O-N 3.47Å
212	E	44.8	Very low	38.4	Very low	104 Å²	104	160.6 Å²	160.6	49%	0.486	78%	0.778	S	S	.	*	H	α-helix	trans	-64.8	-28.8	-174.7	-153.7	-160.2	148.9	0	0	112.2	T209 L214	T209-E212 PolarHBondContact O-N 2.84Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.48Å
213	Y	41.7	Very low	38.5	Very low	190 Å²	190	163.7 Å²	163.7	75%	0.745	79%	0.785	S	S	*	*	H	α-helix	trans	-70.6	-28.7	-179.7	-159.5	-95.7	0	0	0	113	E211	E211-Y213 PolarHBondContact O-N 2.99Å
214	L	47	Very low	38.3	Very low	126 Å²	126	163.1 Å²	163.1	66%	0.66	78%	0.782	S	S	*	*	H	α-helix	trans	-80.7	-29.3	-173.2	-69.3	172.6	0	0	0	113.3	E211 E212 K216	E211-L214 PolarHBondContact O-N 3.47Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.48Å; L214-K216 VanDerWaalsContact C-N 3.33Å; L214-K216 PolarHBondContact O-N 3.36Å
215	L	43.8	Very low	38.3	Very low	150 Å²	150	163.6 Å²	163.6	79%	0.785	77%	0.771	S	S	*	*	H	α-helix	trans	-66.4	-31.4	179.3	-108.1	65	0	0	0	113.2	K217	L215-K217 VanDerWaalsContact C-N 3.3Å; L215-K217 PolarHBondContact O-N 3.24Å
216	K	40.5	Very low	38.3	Very low	178 Å²	178	166.5 Å²	166.5	77%	0.774	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-13.3	-174.4	-96.8	167.2	180	152.2	0	115.4	L214	L214-K216 VanDerWaalsContact C-N 3.33Å; L214-K216 PolarHBondContact O-N 3.36Å
217	K	41.4	Very low	38.2	Very low	193 Å²	193	164.2 Å²	164.2	84%	0.839	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-1.5	179.2	-86.6	-162.2	174.3	-177.4	0	116.4	L215	L215-K217 VanDerWaalsContact C-N 3.3Å; L215-K217 PolarHBondContact O-N 3.24Å
218	K	38	Very low	37.9	Very low	200 Å²	200	165 Å²	165	87%	0.87	77%	0.767	S	S	*	*	S	Bend	trans	-101.3	18	-171.8	-145.3	174.6	-178	178.6	0	116.2
219	K	38.7	Very low	37.6	Very low	200 Å²	200	166.6 Å²	166.6	87%	0.87	77%	0.77	S	S	*	*	S	Bend	trans	-136.4	44.4	-174.3	-152.7	178.6	179.6	176.3	0	117.6
220	K	36.3	Very low	36.6	Very low	213 Å²	213	165 Å²	165	93%	0.926	78%	0.775	S	S	*	*			trans	-162.7	80.5	153.8	-127.6	175.5	-177.8	179.7	0	114.8
221	K	37.9	Very low	36.3	Very low	215 Å²	215	163 Å²	163	94%	0.935	78%	0.78	S	S	*	*			trans	-158.5	69.9	166.2	-161.5	179.3	-178.7	-179	0	114.3
222	K	34.2	Very low	35.9	Very low	206 Å²	206	164.9 Å²	164.9	90%	0.896	79%	0.786	S	S	*	*			trans	-164.5	153.6	159.4	-157.2	164.2	-178.2	176.2	0	110
223	K	29.7	Very low	35.5	Very low	196 Å²	196	169.9 Å²	169.9	85%	0.852	81%	0.806	S	S	*	*			trans	78.1	117.9	-161.8	-65.4	-165.7	173.4	-169.4	0	112.7
224	H	29.9	Very low	35.1	Very low	165 Å²	165	166.4 Å²	166.4	76%	0.764	81%	0.805	S	S	*	*			cis	71.7	128.3	20.5	-148.6	-100	0	0	0	112
225	R	30.3	Very low	34.3	Very low	177 Å²	177	171.6 Å²	171.6	67%	0.668	82%	0.815	S	S	*	*			cis	-172.3	156.5	-4.4	158	177.7	168.2	-163.1	-18.4	108.7
226	D	31.7	Very low	33.7	Very low	114 Å²	114	172.8 Å²	172.8	61%	0.61	82%	0.817	S	S	*	*			trans	65.6	159.9	168.1	-61.8	-8.8	0	0	0	120
227	D	30.6	Very low	33.4	Very low	153 Å²	153	172.3 Å²	172.3	82%	0.818	82%	0.822	S	S	*	*			trans	66.1	83.9	163.3	-56.6	-12	0	0	0	123.8
228	D	30	Very low	32.7	Very low	132 Å²	132	171.2 Å²	171.2	71%	0.706	82%	0.819	S	S	*	*				80.1	153	108.7	-149.7	26.1	0	0	0	124.2
229	Q	30.4	Very low	32.5	Very low	175 Å²	175	167.5 Å²	167.5	82%	0.818	81%	0.813	S	S	*	*			trans	50.2	107.8	165.5	-81	169.8	71.5	0	0	120.1
230	G	28.5	Very low	32.2	Very low	73 Å²	73	167 Å²	167	75%	0.753	81%	0.811	S	S	*	*			trans	-171.1	100.6	167.6	0	0	0	0	0	113.1
231	A	32.9	Very low	32.1	Very low	108 Å²	108	161.2 Å²	161.2	89%	0.893	80%	0.803	S	S	*	*			trans	-65.8	131.4	-167.5	0	0	0	0	0	114.7
232	K	36.6	Very low	31.9	Very low	195 Å²	195	157.5 Å²	157.5	85%	0.848	80%	0.798	S	S	*	*			trans	-106.7	106.4	168.8	-72.8	-179.2	179.5	173.9	0	110.7	V234	K232-V234 PolarHBondContact O-N 3.34Å
233	K	35	Very low	31.7	Very low	208 Å²	208	156.2 Å²	156.2	90%	0.904	80%	0.795	S	S	*	*			trans	-66	98.5	170.1	-79.5	-177.2	174	177.6	0	110.4	R235	K233-R235 PolarHBondContact O-N 3.47Å
234	V	33.6	Very low	32	Very low	117 Å²	117	152.3 Å²	152.3	71%	0.709	79%	0.788	S	S	*	*			trans	-70.5	121.9	162.3	177.7	0	0	0	0	107.9	K232 H236	K232-V234 PolarHBondContact O-N 3.34Å; V234-H236 PolarHBondContact O-N 3.12Å
235	R	31	Very low	32	Very low	235 Å²	235	150.3 Å²	150.3	89%	0.887	79%	0.787	S	S	*	*			trans	-78.6	98.4	172.6	-71.4	-177.7	176.6	178.4	-1.9	109	K233 L237	K233-R235 PolarHBondContact O-N 3.47Å; R235-L237 PolarHBondContact O-N 3.2Å
236	H	29.9	Very low	31.8	Very low	176 Å²	176	147.3 Å²	147.3	82%	0.815	79%	0.792	S	S	*	*			trans	-65.3	112.9	163.2	-91.3	-91.6	0	0	0	109.3	V234 H238	V234-H236 PolarHBondContact O-N 3.12Å; H236-H238 PolarHBondContact O-N 3.2Å
237	L	34.4	Very low	31.9	Very low	168 Å²	168	148.2 Å²	148.2	88%	0.88	80%	0.802	S	S	*	*			trans	-75.9	98.4	163	-91.3	156.5	0	0	0	107.8	R235 T239	R235-L237 PolarHBondContact O-N 3.2Å; L237-T239 PolarHBondContact O-N 3.18Å
238	H	28.2	Very low	31.8	Very low	169 Å²	169	144.6 Å²	144.6	78%	0.782	80%	0.8	S	S	*	*			trans	-79.3	97.6	174	-166.8	-17.2	0	0	0	108.9	H236 K240	H236-H238 PolarHBondContact O-N 3.2Å; H238-K240 PolarHBondContact O-N 3.31Å
239	T	33.2	Very low	31.9	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	81%	0.808	S	S	*	*			trans	-58.2	121.4	165.8	-51.2	0	0	0	0	108	L237 A241	L237-T239 PolarHBondContact O-N 3.18Å; T239-A241 PolarHBondContact O-N 2.83Å
240	K	32.9	Very low	31.7	Very low	191 Å²	191	140.4 Å²	140.4	83%	0.83	81%	0.806	S	S	*	*			trans	-80.4	102.4	171.1	-71.9	-172.7	176.1	-174.3	0	108.1	H238	H238-K240 PolarHBondContact O-N 3.31Å
241	A	33.9	Very low	31.7	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	81%	0.808	S	S	*	*			trans	-64.8	134.9	161.5	0	0	0	0	0	108.5	T239 Q243	T239-A241 PolarHBondContact O-N 2.83Å; A241-Q243 PolarHBondContact O-N 2.9Å
242	V	33.6	Very low	31.4	Very low	136 Å²	136	142.9 Å²	142.9	82%	0.824	80%	0.8	S	S	*	*			trans	-76.7	111.7	169.4	176.5	0	0	0	0	106.9	T244	V242-T244 PolarHBondContact O-N 3.31Å; V242-T244 VanDerWaalsContact O-N 3.16Å
243	Q	30.4	Very low	31.2	Very low	179 Å²	179	141.2 Å²	141.2	84%	0.836	80%	0.8	S	S	*	*			trans	-84.4	87.6	-176.3	-171.8	174.4	6.3	0	0	110.1	A241 V245	A241-Q243 PolarHBondContact O-N 2.9Å; Q243-V245 PolarHBondContact O-N 2.81Å
244	T	35.9	Very low	30.8	Very low	115 Å²	115	136.6 Å²	136.6	71%	0.706	79%	0.789	S	S	*	*			trans	-62.9	123.9	169	-47.2	0	0	0	0	109.1	V242 C246	V242-T244 PolarHBondContact O-N 3.31Å; V242-T244 VanDerWaalsContact O-N 3.16Å; T244-C246 PolarHBondContact O-N 2.98Å; T244-C246 VanDerWaalsContact O-N 3.14Å
245	V	28.3	Very low	30.8	Very low	123 Å²	123	136.9 Å²	136.9	75%	0.745	79%	0.791	S	S	*	*			trans	-82.6	94.4	-175	-178	0	0	0	0	110	Q243 T247	Q243-V245 PolarHBondContact O-N 2.81Å; V245-T247 PolarHBondContact O-N 2.95Å
246	C	27.8	Very low	30.6	Very low	114 Å²	114	131.5 Å²	131.5	77%	0.77	79%	0.787	S	S	*	*			trans	-76	116.4	165.9	-62.7	0	0	0	0	109.5	T244 G248	T244-C246 PolarHBondContact O-N 2.98Å; T244-C246 VanDerWaalsContact O-N 3.14Å; C246-G248 PolarHBondContact O-N 3Å
247	T	33.9	Very low	30.6	Very low	133 Å²	133	129.3 Å²	129.3	82%	0.816	79%	0.786	S	S	*	*			trans	-72.3	91	173.8	47.8	0	0	0	0	110.3	V245 V249	V245-T247 PolarHBondContact O-N 2.95Å; T247-V249 PolarHBondContact O-N 3.16Å
248	G	28.3	Very low	30.3	Very low	76 Å²	76	128.9 Å²	128.9	78%	0.784	78%	0.784	S	S	*	*			trans	-70.2	113.8	178.2	0	0	0	0	0	112.3	C246 G250	C246-G248 PolarHBondContact O-N 3Å; G248-G250 PolarHBondContact O-N 3.41Å
249	V	30.8	Very low	31	Very low	144 Å²	144	126 Å²	126	87%	0.873	78%	0.78	S	S	*	*			trans	-75.9	105.2	164.3	177.7	0	0	0	0	107.8	T247 A251	T247-V249 PolarHBondContact O-N 3.16Å; V249-A251 PolarHBondContact O-N 2.94Å
250	G	26.2	Very low	30.6	Very low	75 Å²	75	128.8 Å²	128.8	77%	0.773	79%	0.785	S	S	*	*			trans	-77.1	108.2	175.3	0	0	0	0	0	111.2	G248 D252	G248-G250 PolarHBondContact O-N 3.41Å; G250-D252 PolarHBondContact O-N 2.87Å
251	A	29.9	Very low	30.3	Very low	96 Å²	96	123.9 Å²	123.9	79%	0.793	78%	0.78	S	S	*	*			trans	-89.3	89.7	168.9	0	0	0	0	0	109.7	V249	V249-A251 PolarHBondContact O-N 2.94Å
252	D	26.5	Very low	29.9	Very low	137 Å²	137	129.1 Å²	129.1	73%	0.733	79%	0.786	S	S	*	*			trans	-90.6	114.3	171.4	-166.9	-14.8	0	0	0	109.4	G250	G250-D252 PolarHBondContact O-N 2.87Å
253	L	31	Very low	29.9	Very low	160 Å²	160	130.5 Å²	130.5	84%	0.838	79%	0.787	S	S	*	*			trans	-100.8	76.3	-178.2	-86	171.2	0	0	0	110.8
254	T	26.9	Very low	30.2	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	79%	0.787	S	S	*	*			trans	-120.8	116	164	46.7	0	0	0	0	110.4
255	V	33.1	Very low	29.7	Very low	124 Å²	124	126.1 Å²	126.1	75%	0.752	79%	0.79	S	S	*	*			trans	-104.3	118.1	178.7	175.9	0	0	0	0	109.9	V257	V255-V257 HydrophobicContact CG1-CG2 4.41Å
256	P	27.9	Very low	30.1	Very low	122 Å²	122	126.9 Å²	126.9	79%	0.792	79%	0.794	S	S	*	*			trans	-100	134.4	158.8	7.5	12.9	0	0	0	110.4
257	V	28.9	Very low	30.2	Very low	130 Å²	130	129.4 Å²	129.4	79%	0.788	80%	0.799	S	S	*	*			trans	-94.7	129.1	175.4	173.3	0	0	0	0	110.2	V255	V255-V257 HydrophobicContact CG1-CG2 4.41Å
258	N	28.5	Very low	30.1	Very low	158 Å²	158	132 Å²	132	85%	0.845	80%	0.798	S	S	*	*			trans	-163.4	163.2	141	-114.6	2.1	0	0	0	112.3
259	P	42.6	Very low	30	Very low	108 Å²	108	138 Å²	138	70%	0.701	81%	0.806	S	S	*	*			trans	-110.6	-164.8	-163.3	41.7	-34.4	0	0	0	115.3
260	E	24.8	Very low	29.8	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	81%	0.806	S	S	*	*			trans	90.3	87.3	167.7	-58.4	-149.1	118.1	0	0	120.5
261	A	27.1	Very low	29.8	Very low	87 Å²	87	141.3 Å²	141.3	72%	0.719	80%	0.804	S	S	*	*				97.4	153.3	108.2	0	0	0	0	0	122.1
262	K	25.6	Very low	29.6	Very low	202 Å²	202	143 Å²	143	88%	0.878	80%	0.804	S	S	*	*			trans	83.7	93.1	163.7	-60.5	179.3	-175.6	172.4	0	119.7
263	L	32.8	Very low	29.7	Very low	165 Å²	165	147.3 Å²	147.3	86%	0.864	81%	0.81	S	S	*	*			trans	-50.8	160.7	132.4	-75.9	169	0	0	0	110.8
264	P	38.5	Very low	29.5	Very low	128 Å²	128	147.2 Å²	147.2	83%	0.831	81%	0.81	S	S	*	*			cis	-145	-175.4	36.6	43	-23.5	0	0	0	117
265	G	25.3	Very low	29.9	Very low	74 Å²	74	147.8 Å²	147.8	76%	0.763	82%	0.815	S	S	*	*			trans	170.2	84.1	167.1	0	0	0	0	0	114.9
266	V	35	Very low	29.4	Very low	138 Å²	138	145.1 Å²	145.1	84%	0.836	81%	0.813	S	S	*	*			trans	-97.7	123.1	174.9	174.6	0	0	0	0	110.7
267	I	30.3	Very low	29.7	Very low	168 Å²	168	151 Å²	151	86%	0.862	82%	0.82	S	S	*	*			trans	-137.2	132.5	153.7	-62.4	-175.4	0	0	0	108.6
268	K	31.4	Very low	29.6	Very low	186 Å²	186	152.6 Å²	152.6	81%	0.809	82%	0.819	S	S	*	*			trans	-97.7	145.6	164.1	-72.6	-176.8	173.9	-173.2	0	109.5
269	Q	26.7	Very low	29.9	Very low	204 Å²	204	150 Å²	150	95%	0.953	81%	0.81	S	S	*	*			trans	-150.8	168.3	138.1	-120.4	176.7	11	0	0	111
270	E	26	Very low	29.4	Very low	183 Å²	183	150.2 Å²	150.2	86%	0.855	81%	0.809	S	S	*	*			trans	-144.3	163.6	-155.6	-176.8	172.6	177.4	0	0	110.9
271	S	27.1	Very low	30.1	Very low	105 Å²	105	148.5 Å²	148.5	73%	0.734	81%	0.806	S	S	*	*			trans	77.1	146.8	-175	-151.8	0	0	0	0	113.5
272	T	25.8	Very low	30.6	Very low	132 Å²	132	151.1 Å²	151.1	81%	0.81	81%	0.808	S	S	*	*			cis	-136.9	163	18.2	-54.6	0	0	0	0	112.3
273	R	28.9	Very low	31.2	Very low	226 Å²	226	144.3 Å²	144.3	85%	0.853	79%	0.785	S	S	*	*			trans	-91.3	132.8	-172.5	-73.1	179.5	175.2	168.9	-1.3	115.1
274	L	26.3	Very low	32	Very low	158 Å²	158	139.6 Å²	139.6	83%	0.827	77%	0.765	S	S	*	*			trans	66.3	162.2	141.7	-64.7	171.4	0	0	0	119.9
275	P	35.5	Very low	32.3	Very low	123 Å²	123	138.6 Å²	138.6	80%	0.799	76%	0.758	S	S	*	*			cis	-124.2	154	-21.6	33.6	-18	0	0	0	113.9
276	G	23.3	Very low	33.4	Very low	69 Å²	69	137.9 Å²	137.9	71%	0.711	73%	0.733	S	S	*	*			trans	-140.5	17.9	-167	0	0	0	0	0	119.8	E278	G276-E278 PolarHBondContact O-N 3.03Å
277	R	33.2	Very low	34.2	Very low	245 Å²	245	133 Å²	133	93%	0.925	70%	0.701	S	S	*	*			trans	46.1	64.5	166.5	-158.4	-173.7	-159.8	-89.7	3.1	117.1
278	E	26.3	Very low	34.9	Very low	164 Å²	164	131.1 Å²	131.1	77%	0.766	69%	0.689	S	S	*	*			trans	-58	145.6	165.2	-67	-60.1	149	0	0	112.3	G276	G276-E278 PolarHBondContact O-N 3.03Å
279	P	35.5	Very low	35.6	Very low	102 Å²	102	124.8 Å²	124.8	66%	0.662	67%	0.672	S	S	*	*			trans	-71.4	135.8	162.9	32	-32	0	0	0	109.6	D281	P279-D281 PolarHBondContact O-N 3.14Å; P279-D281 VanDerWaalsContact O-N 3.1Å
280	V	32.7	Very low	36.7	Very low	113 Å²	113	115.9 Å²	115.9	69%	0.685	63%	0.63	S	S	*	*			trans	-82	94.4	179.3	-169.9	0	0	0	0	109.4	N282	V280-N282 HydrophobicContact CG1-CB 4.48Å; V280-N282 WeakPolarHBondContact CG1-OD1 3.27Å; V280-N282 PolarHBondContact O-N 3.24Å
281	D	38	Very low	37.6	Very low	146 Å²	146	113.8 Å²	113.8	78%	0.781	62%	0.618	S	S	*	*			trans	-68.6	72.4	170.1	-99.7	-24.7	0	0	0	110.8	P279 C283	P279-D281 PolarHBondContact O-N 3.14Å; P279-D281 VanDerWaalsContact O-N 3.1Å; D281-C283 PolarHBondContact O-N 3.06Å
282	N	37.5	Very low	38.2	Very low	142 Å²	142	116.9 Å²	116.9	76%	0.759	62%	0.623	S	S	*	*			trans	-72.2	54	173.2	-87.3	-23.5	0	0	0	111.6	V280 P284	V280-N282 HydrophobicContact CG1-CB 4.48Å; V280-N282 WeakPolarHBondContact CG1-OD1 3.27Å; V280-N282 PolarHBondContact O-N 3.24Å; N282-P284 WeakPolarHBondContact O-CD 3.49Å
283	C	40	Very low	39.2	Very low	60 Å²	60	113.3 Å²	113.3	41%	0.405	61%	0.613	S	S	.	*			trans	-63.7	124.7	158.6	-82.6	0	0	0	0	108.3	D281	D281-C283 PolarHBondContact O-N 3.06Å
284	P	48.8	Very low	40.4	Very low	66 Å²	66	113.8 Å²	113.8	43%	0.429	61%	0.614	S	S	.	*			trans	-57.1	139.4	174.4	-25.4	34.6	0	0	0	110.9	N282 Y286 I287 Q288	N282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-Y286 PolarHBondContact O-N 3.45Å; P284-I287 HydrophobicContact CB-CG1 4.33Å; P284-I287 HydrophobicContact CG-CG1 4.29Å; P284-I287 WeakPolarHBondContact O-CB 3.43Å; P284-I287 PolarHBondContact O-N 3.17Å; P284-Q288 PolarHBondContact O-N 3.48Å
285	P	45.4	Very low	41.8	Very low	106 Å²	106	109.1 Å²	109.1	69%	0.688	59%	0.593	S	S	*	*	H	α-helix	trans	-55	-24.4	178.3	-28.8	35.7	0	0	0	113.8	Q288 A289	P285-Q288 CarbonylContact O-C 3.48Å; P285-Q288 WeakPolarHBondContact O-CB 3.36Å; P285-Q288 PolarHBondContact O-N 2.88Å; P285-A289 PolarHBondContact O-N 3.41Å
286	Y	47	Very low	43.2	Very low	60 Å²	60	107.9 Å²	107.9	24%	0.235	59%	0.585	C	S	.	*	H	α-helix	trans	-66.6	-42	173.5	-174.5	-103	0	0	0	113.5	P284 Q288 A289 L290 D338 E339	P284-Y286 PolarHBondContact O-N 3.45Å; Y286-Q288 PolarHBondContact O-N 3.36Å; Y286-A289 WeakPolarHBondContact O-CB 3.27Å; Y286-A289 PolarHBondContact O-N 3.4Å; Y286-A289 VanDerWaalsContact O-N 3.07Å; Y286-L290 HydrophobicContact CD1-CD1 4.22Å; Y286-L290 HydrophobicContact CD1-CG 4.48Å; Y286-L290 HydrophobicContact CE1-CD1 3.51Å; Y286-L290 HydrophobicContact CE1-CD2 4.48Å; Y286-L290 HydrophobicContact CE1-CG 3.81Å; Y286-L290 PolarHBondContact O-N 3.47Å; Y286-D338 PolarHBondContact OH-O 2.82Å; Y286-E339 HydrophobicContact CE1-CB 3.94Å; Y286-E339 HydrophobicContact CE1-CG 3.75Å; Y286-E339 VanDerWaalsContact OH-CA 3.31Å; Y286-E339 WeakPolarHBondContact OH-CA 3.37Å; Y286-E339 WeakPolarHBondContact OH-CG 3.3Å
287	I	51.5	Low	45.7	Very low	35 Å²	35	108 Å²	108	18%	0.179	57%	0.566	C	S	.	*	H	α-helix	trans	-61.8	-33.4	171.9	-62.8	-62.5	0	0	0	110.3	P284 K291	P284-I287 HydrophobicContact CB-CG1 4.33Å; P284-I287 HydrophobicContact CG-CG1 4.29Å; P284-I287 WeakPolarHBondContact O-CB 3.43Å; P284-I287 PolarHBondContact O-N 3.17Å; I287-K291 HydrophobicContact CG2-CD 4.2Å; I287-K291 WeakPolarHBondContact O-CB 3.28Å; I287-K291 WeakPolarHBondContact O-CG 3.41Å; I287-K291 PolarHBondContact O-N 2.65Å
288	Q	45.7	Very low	47.7	Very low	128 Å²	128	100.6 Å²	100.6	60%	0.598	54%	0.544	S	S	*	.	H	α-helix	trans	-72.1	-34.1	174.8	-149	165.2	14.9	0	0	112.2	P284 P285 Y286 K291 M292	P284-Q288 PolarHBondContact O-N 3.48Å; P285-Q288 CarbonylContact O-C 3.48Å; P285-Q288 WeakPolarHBondContact O-CB 3.36Å; P285-Q288 PolarHBondContact O-N 2.88Å; Y286-Q288 PolarHBondContact O-N 3.36Å; Q288-K291 PolarHBondContact O-N 3.49Å; Q288-M292 PolarHBondContact O-N 2.75Å
289	A	45.9	Very low	50.4	Low	54 Å²	54	95.7 Å²	95.7	45%	0.446	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-41.2	173.1	0	0	0	0	0	112.9	P285 Y286 M292 G293	P285-A289 PolarHBondContact O-N 3.41Å; Y286-A289 WeakPolarHBondContact O-CB 3.27Å; Y286-A289 PolarHBondContact O-N 3.4Å; Y286-A289 VanDerWaalsContact O-N 3.07Å; A289-M292 WeakPolarHBondContact O-CB 3.23Å; A289-M292 PolarHBondContact O-N 3.29Å; A289-M292 VanDerWaalsContact O-N 3.09Å; A289-G293 PolarHBondContact O-N 2.96Å
290	L	49.6	Very low	52.8	Low	16 Å²	16	99.4 Å²	99.4	8%	0.084	54%	0.536	C	S	.	.	H	α-helix	trans	-60.5	-45.6	170.5	-77.2	178.5	0	0	0	111.2	Y286 M292 G293 T295 F297	Y286-L290 HydrophobicContact CD1-CD1 4.22Å; Y286-L290 HydrophobicContact CD1-CG 4.48Å; Y286-L290 HydrophobicContact CE1-CD1 3.51Å; Y286-L290 HydrophobicContact CE1-CD2 4.48Å; Y286-L290 HydrophobicContact CE1-CG 3.81Å; Y286-L290 PolarHBondContact O-N 3.47Å; L290-M292 PolarHBondContact O-N 2.85Å; L290-G293 PolarHBondContact O-N 2.67Å; L290-T295 WeakPolarHBondContact CD2-OG1 3.32Å; L290-F297 HydrophobicContact CD1-CZ 4.43Å
291	K	45.6	Very low	55.3	Low	140 Å²	140	97.7 Å²	97.7	61%	0.609	52%	0.521	S	S	*	.	H	α-helix	trans	-60.6	-23.1	172.5	-74.7	170.3	-179.1	176.3	0	113.6	I287 Q288 G293	I287-K291 HydrophobicContact CG2-CD 4.2Å; I287-K291 WeakPolarHBondContact O-CB 3.28Å; I287-K291 WeakPolarHBondContact O-CG 3.41Å; I287-K291 PolarHBondContact O-N 2.65Å; Q288-K291 PolarHBondContact O-N 3.49Å; K291-G293 VanDerWaalsContact C-N 3.28Å
292	M	38.9	Very low	57.6	Low	170 Å²	170	91.3 Å²	91.3	84%	0.837	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.6	175.2	-135.2	69.8	178.8	0	0	113.8	Q288 A289 L290	Q288-M292 PolarHBondContact O-N 2.75Å; A289-M292 WeakPolarHBondContact O-CB 3.23Å; A289-M292 PolarHBondContact O-N 3.29Å; A289-M292 VanDerWaalsContact O-N 3.09Å; L290-M292 PolarHBondContact O-N 2.85Å
293	G	46.8	Very low	60	Low	57 Å²	57	88.9 Å²	88.9	59%	0.588	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	89	162	0	0	0	0	0	115.8	A289 L290 K291	A289-G293 PolarHBondContact O-N 2.96Å; L290-G293 PolarHBondContact O-N 2.67Å; K291-G293 VanDerWaalsContact C-N 3.28Å
294	R	54	Low	62.3	Low	235 Å²	235	93 Å²	93	89%	0.887	48%	0.478	S	S	*	.	S	Bend	trans	-134.9	-33.9	160.7	-75.5	-161.2	168.7	-145.1	-5.7	115.5
295	T	55.8	Low	64.3	Low	61 Å²	61	90.3 Å²	90.3	37%	0.374	46%	0.46	S	S	.	.			trans	-133.4	128.8	173.4	37.2	0	0	0	0	110.3	L290 D338	L290-T295 WeakPolarHBondContact CD2-OG1 3.32Å; T295-D338 HydrophobicContact CG2-CB 4.45Å; T295-D338 PolarHBondContact OG1-OD2 3.34Å; T295-D338 VanDerWaalsContact OG1-OD2 3.06Å
296	P	66.2	Low	66.5	Low	97 Å²	97	86.1 Å²	86.1	63%	0.63	43%	0.431	S	S	*	.			trans	-80.7	134.4	167.9	32.1	-31.1	0	0	0	109.8	L298	P296-L298 PolarHBondContact O-N 2.88Å
297	F	76	Confident	68.3	Low	71 Å²	71	86.7 Å²	86.7	31%	0.311	44%	0.444	S	S	.	.			trans	-53.1	137.6	174	-60.1	-84.5	0	0	0	111.5	L290 S299 D302 H303 R306	L290-F297 HydrophobicContact CD1-CZ 4.43Å; F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 2.86Å; F297-D302 WeakPolarHBondContact CA-OD2 3.42Å; F297-H303 HydrophobicContact CB-CB 4.15Å; F297-H303 HydrophobicContact CD1-CB 3.84Å; F297-H303 HydrophobicContact CD2-CB 4.33Å; F297-H303 AromaticContact CD2-CD2 3.75Å; F297-H303 HydrophobicContact CE1-CB 4.32Å; F297-H303 AromaticContact CE2-CD2 3.6Å; F297-H303 HydrophobicContact CG-CB 3.84Å; F297-H303 AromaticContact CZ-CD2 3.84Å; F297-R306 HydrophobicContact CE1-CB 4.19Å
298	L	75.6	Confident	69.7	Low	90 Å²	90	87.6 Å²	87.6	47%	0.471	45%	0.453	S	S	.	.	S	Bend	trans	-70.7	-29.5	-175.3	-59.8	177.6	0	0	0	111.9	P296 D302 P573	P296-L298 PolarHBondContact O-N 2.88Å; L298-D302 HydrophobicContact CB-CB 4.37Å; L298-D302 PolarHBondContact N-OD2 3.04Å; L298-P573 HydrophobicContact CD1-CG 3.72Å; L298-P573 HydrophobicContact CD2-CG 3.91Å; L298-P573 HydrophobicContact CG-CG 4.49Å
299	S	82.7	Confident	71.4	Confident	61 Å²	61	84.1 Å²	84.1	43%	0.427	44%	0.442	S	S	.	.	S	Bend	trans	-157.1	172.7	176.6	71.1	0	0	0	0	111.8	F297 Q301 D302 H303	F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 2.86Å; S299-Q301 PolarHBondContact O-N 2.98Å; S299-Q301 PolarHBondContact OG-N 3.09Å; S299-D302 PolarHBondContact O-N 3.35Å; S299-D302 PolarHBondContact OG-N 3.02Å; S299-H303 PolarHBondContact O-N 3.2Å; S299-H303 VanDerWaalsContact O-N 3.13Å
300	H	84.9	Confident	73.1	Confident	180 Å²	180	83.4 Å²	83.4	83%	0.833	43%	0.431	S	S	*	.	H	α-helix	trans	-62.8	-27.1	168.1	-70.3	-64.3	0	0	0	113	Y304	H300-Y304 WeakPolarHBondContact O-CB 3.21Å; H300-Y304 PolarHBondContact O-N 2.98Å
301	Q	85.8	Confident	74.5	Confident	77 Å²	77	91.9 Å²	91.9	36%	0.36	47%	0.47	S	S	.	.	H	α-helix	trans	-73.3	-42.9	176.8	-165.6	64.4	13.9	0	0	111	S299 H303 Y304 I305 E323	S299-Q301 PolarHBondContact O-N 2.98Å; S299-Q301 PolarHBondContact OG-N 3.09Å; Q301-H303 PolarHBondContact O-N 3.18Å; Q301-Y304 WeakPolarHBondContact O-CA 3.2Å; Q301-Y304 WeakPolarHBondContact O-CB 3.33Å; Q301-Y304 PolarHBondContact O-N 3.17Å; Q301-I305 HydrophobicContact CG-CD1 4.09Å; Q301-I305 VanDerWaalsContact O-CG1 3.32Å; Q301-I305 WeakPolarHBondContact O-CG1 3.33Å; Q301-I305 PolarHBondContact O-N 3.43Å; Q301-E323 PolarHBondContact NE2-OE1 3.21Å
302	D	86.9	Confident	76.1	Confident	11 Å²	11	87.1 Å²	87.1	6%	0.059	45%	0.453	C	S	.	.	H	α-helix	trans	-59.4	-44.2	174.6	173.6	53.6	0	0	0	111.7	F297 L298 S299 Y304 I305 R306 Y336	F297-D302 WeakPolarHBondContact CA-OD2 3.42Å; L298-D302 HydrophobicContact CB-CB 4.37Å; L298-D302 PolarHBondContact N-OD2 3.04Å; S299-D302 PolarHBondContact O-N 3.35Å; S299-D302 PolarHBondContact OG-N 3.02Å; D302-Y304 VanDerWaalsContact C-N 3.34Å; D302-Y304 PolarHBondContact O-N 2.77Å; D302-I305 PolarHBondContact O-N 3.32Å; D302-R306 WeakPolarHBondContact O-CB 3.45Å; D302-R306 WeakPolarHBondContact O-CG 3.38Å; D302-R306 PolarHBondContact O-N 3.47Å; D302-R306 IonicContact OD1-NE 2.78Å; D302-R306 PolarHBondContact OD1-NE 3.47Å; D302-R306 IonicContact OD2-NE 3.26Å; D302-Y336 WeakPolarHBondContact OD1-CE1 3.44Å; D302-Y336 VanDerWaalsContact OD1-CZ 3.27Å; D302-Y336 PolarHBondContact OD1-OH 3.21Å
303	H	87.3	Confident	78.1	Confident	92 Å²	92	83 Å²	83	43%	0.426	45%	0.453	S	S	.	.	H	α-helix	trans	-60.1	-41	170.3	177.4	-68.7	0	0	0	112.7	F297 S299 Q301 S307	F297-H303 HydrophobicContact CB-CB 4.15Å; F297-H303 HydrophobicContact CD1-CB 3.84Å; F297-H303 HydrophobicContact CD2-CB 4.33Å; F297-H303 AromaticContact CD2-CD2 3.75Å; F297-H303 HydrophobicContact CE1-CB 4.32Å; F297-H303 AromaticContact CE2-CD2 3.6Å; F297-H303 HydrophobicContact CG-CB 3.84Å; F297-H303 AromaticContact CZ-CD2 3.84Å; S299-H303 PolarHBondContact O-N 3.2Å; S299-H303 VanDerWaalsContact O-N 3.13Å; Q301-H303 PolarHBondContact O-N 3.18Å; H303-S307 WeakPolarHBondContact O-CB 3.43Å; H303-S307 PolarHBondContact O-N 3.19Å; H303-S307 VanDerWaalsContact O-N 3.15Å; H303-S307 PolarHBondContact O-OG 3.44Å
304	Y	88.4	Confident	80	Confident	145 Å²	145	83.6 Å²	83.6	57%	0.569	45%	0.446	S	S	*	.	H	α-helix	trans	-65.6	-47.1	179.3	179.2	-94.1	0	0	0	111.5	H300 Q301 D302 S307	H300-Y304 WeakPolarHBondContact O-CB 3.21Å; H300-Y304 PolarHBondContact O-N 2.98Å; Q301-Y304 WeakPolarHBondContact O-CA 3.2Å; Q301-Y304 WeakPolarHBondContact O-CB 3.33Å; Q301-Y304 PolarHBondContact O-N 3.17Å; D302-Y304 VanDerWaalsContact C-N 3.34Å; D302-Y304 PolarHBondContact O-N 2.77Å; Y304-S307 PolarHBondContact O-N 3.22Å; Y304-S307 VanDerWaalsContact O-N 3.16Å; Y304-S307 PolarHBondContact O-OG 3.22Å
305	I	91.3	Very high	81.6	Confident	10 Å²	10	78.9 Å²	78.9	5%	0.051	43%	0.428	C	S	.	.	H	α-helix	trans	-58.8	-54.3	177	-65.7	167.2	0	0	0	110.2	Q301 D302 S307 S308 H321 E323 H334 Y336	Q301-I305 HydrophobicContact CG-CD1 4.09Å; Q301-I305 VanDerWaalsContact O-CG1 3.32Å; Q301-I305 WeakPolarHBondContact O-CG1 3.33Å; Q301-I305 PolarHBondContact O-N 3.43Å; D302-I305 PolarHBondContact O-N 3.32Å; I305-S307 PolarHBondContact O-N 2.94Å; I305-S308 PolarHBondContact O-N 3.45Å; I305-H321 HydrophobicContact CG2-CB 3.74Å; I305-E323 HydrophobicContact CD1-CB 4.13Å; I305-E323 HydrophobicContact CD1-CG 4.12Å; I305-E323 HydrophobicContact CG1-CB 4.02Å; I305-E323 HydrophobicContact CG1-CG 4.05Å; I305-H334 HydrophobicContact CG2-CB 3.99Å; I305-Y336 HydrophobicContact CG2-CE2 4.26Å
306	R	89.9	Confident	83.3	Confident	18 Å²	18	77.4 Å²	77.4	7%	0.068	42%	0.416	C	S	.	.	H	α-helix	trans	-62.1	-14.4	178.2	-70.2	177.6	-178.9	-124.2	12.5	114.7	F297 D302 S308 H321 Y336 D338 E339	F297-R306 HydrophobicContact CE1-CB 4.19Å; D302-R306 WeakPolarHBondContact O-CB 3.45Å; D302-R306 WeakPolarHBondContact O-CG 3.38Å; D302-R306 PolarHBondContact O-N 3.47Å; D302-R306 IonicContact OD1-NE 2.78Å; D302-R306 PolarHBondContact OD1-NE 3.47Å; D302-R306 IonicContact OD2-NE 3.26Å; R306-S308 VanDerWaalsContact C-N 3.34Å; R306-H321 PolarHBondContact O-CE1 2.88Å; R306-Y336 HydrophobicContact CG-CD2 3.85Å; R306-Y336 HydrophobicContact CG-CE1 4.32Å; R306-Y336 HydrophobicContact CG-CE2 3.36Å; R306-Y336 VanDerWaalsContact CZ-CD1 3.41Å; R306-Y336 VanDerWaalsContact NE-CE1 3.33Å; R306-D338 IonicContact CZ-OD1 3.62Å; R306-D338 IonicContact CZ-OD2 2.7Å; R306-D338 IonicContact NH1-OD1 2.94Å; R306-D338 PolarHBondContact NH1-OD1 3.38Å; R306-D338 IonicContact NH1-OD2 2.78Å; R306-D338 PolarHBondContact NH1-OD2 3.32Å; R306-D338 IonicContact NH2-OD1 3.37Å; R306-D338 PolarHBondContact NH2-OD1 2.82Å; R306-D338 IonicContact NH2-OD2 3.6Å; R306-D338 PolarHBondContact NH2-OD2 3.21Å; R306-E339 WeakPolarHBondContact CD-OE1 3.4Å; R306-E339 IonicContact CZ-OE1 3.45Å; R306-E339 IonicContact NE-OE1 3.19Å; R306-E339 VanDerWaalsContact NH1-CG 3.35Å; R306-E339 IonicContact NH1-OE1 3.21Å; R306-E339 PolarHBondContact NH1-OE1 3.26Å
307	S	85.2	Confident	84.5	Confident	73 Å²	73	72.9 Å²	72.9	51%	0.51	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.4	172.9	75.8	0	0	0	0	114	H303 Y304 I305	H303-S307 WeakPolarHBondContact O-CB 3.43Å; H303-S307 PolarHBondContact O-N 3.19Å; H303-S307 VanDerWaalsContact O-N 3.15Å; H303-S307 PolarHBondContact O-OG 3.44Å; Y304-S307 PolarHBondContact O-N 3.22Å; Y304-S307 VanDerWaalsContact O-N 3.16Å; Y304-S307 PolarHBondContact O-OG 3.22Å; I305-S307 PolarHBondContact O-N 2.94Å
308	S	80.8	Confident	85.2	Confident	53 Å²	53	76 Å²	76	37%	0.371	40%	0.397	S	S	.	.			trans	-122.5	61.9	-171.9	-174	0	0	0	0	112.3	I305 R306	I305-S308 PolarHBondContact O-N 3.45Å; R306-S308 VanDerWaalsContact C-N 3.34Å
309	C	81.4	Confident	86.1	Confident	56 Å²	56	72 Å²	72	38%	0.378	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-70.6	144.4	176.8	65.5	0	0	0	0	113	I320	C309-I320 CarbonylContact C-O 3.58Å; C309-I320 WeakPolarHBondContact CA-O 3.47Å
310	L	82.9	Confident	86.8	Confident	39 Å²	39	69 Å²	69	20%	0.204	36%	0.355	C	S	.	.			trans	-84.8	135.4	-174	-156.2	119.7	0	0	0	111.9	T312 G317 I320 E322	L310-T312 HydrophobicContact CD2-CG2 3.48Å; L310-T312 VanDerWaalsContact CD2-CG2 3.48Å; L310-T312 PolarHBondContact O-N 3.12Å; L310-T312 VanDerWaalsContact O-N 3.08Å; L310-G317 PolarHBondContact N-O 3.49Å; L310-G317 CarbonylContact O-C 3.52Å; L310-G317 VanDerWaalsContact O-C 3.23Å; L310-G317 VanDerWaalsContact O-CA 3.3Å; L310-G317 WeakPolarHBondContact O-CA 3.33Å; L310-G317 VanDerWaalsContact O-O 3.13Å; L310-I320 HydrophobicContact CB-CG2 4.47Å; L310-I320 PolarHBondContact N-O 2.85Å; L310-E322 HydrophobicContact CD1-CB 3.78Å
311	Q	78.9	Confident	87.3	Confident	193 Å²	193	60.7 Å²	60.7	90%	0.902	32%	0.316	S	S	*	.			trans	-85.8	75.2	176.4	-63.8	-171.2	14.8	0	0	110.9	G313	Q311-G313 PolarHBondContact O-N 2.82Å
312	T	79.1	Confident	87.7	Confident	41 Å²	41	60.2 Å²	60.2	25%	0.252	31%	0.314	S	S	.	.			trans	-68.5	-10.6	176.7	62.1	0	0	0	0	113.8	L310 T314 G317 I320 E354 L358	L310-T312 HydrophobicContact CD2-CG2 3.48Å; L310-T312 VanDerWaalsContact CD2-CG2 3.48Å; L310-T312 PolarHBondContact O-N 3.12Å; L310-T312 VanDerWaalsContact O-N 3.08Å; T312-T314 PolarHBondContact O-N 3.22Å; T312-T314 PolarHBondContact OG1-N 3.37Å; T312-T314 PolarHBondContact OG1-OG1 2.88Å; T312-G317 WeakPolarHBondContact OG1-CA 3.34Å; T312-G317 PolarHBondContact OG1-N 2.72Å; T312-I320 HydrophobicContact CG2-CD1 4.4Å; T312-E354 WeakPolarHBondContact CB-OE1 3.47Å; T312-E354 VanDerWaalsContact CG2-OE1 3.3Å; T312-E354 WeakPolarHBondContact CG2-OE1 3.39Å; T312-E354 PolarHBondContact OG1-OE1 2.93Å; T312-L358 HydrophobicContact CG2-CD1 3.78Å
313	G	80.8	Confident	88.1	Confident	82 Å²	82	60.5 Å²	60.5	85%	0.845	32%	0.315	S	S	*	.	S	Bend	trans	79.6	-6.3	-171.6	0	0	0	0	0	113.9	Q311	Q311-G313 PolarHBondContact O-N 2.82Å
314	T	86.6	Confident	88.4	Confident	71 Å²	71	62.9 Å²	62.9	44%	0.436	32%	0.324	S	S	.	.	S	Bend	trans	-99.3	-179.3	177.5	89.9	0	0	0	0	111.5	T312 Y316 E354	T312-T314 PolarHBondContact O-N 3.22Å; T312-T314 PolarHBondContact OG1-N 3.37Å; T312-T314 PolarHBondContact OG1-OG1 2.88Å; T314-Y316 VanDerWaalsContact C-N 3.26Å; T314-Y316 PolarHBondContact O-N 3.38Å; T314-Y316 PolarHBondContact OG1-N 2.87Å; T314-E354 VanDerWaalsContact CB-OE2 3.24Å; T314-E354 WeakPolarHBondContact CB-OE2 3.24Å; T314-E354 WeakPolarHBondContact CG2-OE2 3.31Å; T314-E354 PolarHBondContact OG1-OE1 2.72Å; T314-E354 PolarHBondContact OG1-OE2 3.14Å
315	R	86.6	Confident	88.7	Confident	135 Å²	135	57 Å²	57	51%	0.509	30%	0.302	S	S	.	.	S	Bend	trans	-76.2	-8.1	172.3	68.7	-178.2	-60.2	-147.3	-5.9	114.5	E347	R315-E347 IonicContact CZ-OE1 3.1Å; R315-E347 IonicContact NH1-OE1 3.66Å; R315-E347 PolarHBondContact NH1-OE1 2.97Å; R315-E347 IonicContact NH2-OE1 2.68Å; R315-E347 PolarHBondContact NH2-OE1 2.97Å
316	Y	92.6	Very high	88.9	Confident	31 Å²	31	61.2 Å²	61.2	12%	0.122	33%	0.33	C	S	.	.	S	Bend	trans	-100.7	-29.4	-170.8	-64.7	-48	0	0	0	113.7	T314 R318 F319 L343 E347 F351 E354	T314-Y316 VanDerWaalsContact C-N 3.26Å; T314-Y316 PolarHBondContact O-N 3.38Å; T314-Y316 PolarHBondContact OG1-N 2.87Å; Y316-R318 PolarHBondContact O-N 3.4Å; Y316-F319 PolarHBondContact O-N 2.7Å; Y316-L343 HydrophobicContact CE1-CD2 4.48Å; Y316-E347 HydrophobicContact CE1-CB 4.23Å; Y316-E347 WeakPolarHBondContact CE1-O 3.4Å; Y316-E347 WeakPolarHBondContact OH-CA 3.44Å; Y316-E347 PolarHBondContact OH-O 2.73Å; Y316-F351 HydrophobicContact CD1-CB 4.02Å; Y316-F351 HydrophobicContact CD1-CD2 4.26Å; Y316-F351 HydrophobicContact CE1-CB 4.34Å; Y316-F351 HydrophobicContact CG-CB 4.22Å; Y316-F351 HydrophobicContact CG-CD2 4.25Å; Y316-E354 WeakPolarHBondContact CD2-OE2 3.34Å
317	G	91.3	Very high	89.2	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.021	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-52.6	-23.9	179.8	0	0	0	0	0	115.7	L310 T312 F319 I320	L310-G317 PolarHBondContact N-O 3.49Å; L310-G317 CarbonylContact O-C 3.52Å; L310-G317 VanDerWaalsContact O-C 3.23Å; L310-G317 VanDerWaalsContact O-CA 3.3Å; L310-G317 WeakPolarHBondContact O-CA 3.33Å; L310-G317 VanDerWaalsContact O-O 3.13Å; T312-G317 WeakPolarHBondContact OG1-CA 3.34Å; T312-G317 PolarHBondContact OG1-N 2.72Å; G317-F319 PolarHBondContact O-N 3.04Å; G317-F319 VanDerWaalsContact O-N 3.08Å; G317-I320 PolarHBondContact O-N 3.07Å; G317-I320 VanDerWaalsContact O-O 3.04Å
318	R	90.9	Very high	89.7	Confident	137 Å²	137	61.6 Å²	61.6	52%	0.517	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-60.7	-14.2	172.2	74.6	-179.7	-172.1	176.1	0.4	115.2	Y316	Y316-R318 PolarHBondContact O-N 3.4Å
319	F	94.5	Very high	90.5	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.018	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-112.5	5.3	177.6	-55.1	-71.9	0	0	0	112.7	Y316 G317 E339 L340 C342 L343 F351	Y316-F319 PolarHBondContact O-N 2.7Å; G317-F319 PolarHBondContact O-N 3.04Å; G317-F319 VanDerWaalsContact O-N 3.08Å; F319-E339 HydrophobicContact CD1-CB 3.87Å; F319-E339 HydrophobicContact CE1-CB 4.34Å; F319-E339 WeakPolarHBondContact CE1-O 3.34Å; F319-L340 HydrophobicContact CB-CD2 3.76Å; F319-L340 HydrophobicContact CD2-CD2 4.41Å; F319-L340 HydrophobicContact CG-CD2 4.04Å; F319-C342 VanDerWaalsContact CZ-SG 3.57Å; F319-L343 HydrophobicContact CE2-CD2 3.74Å; F319-L343 HydrophobicContact CE2-CG 4.38Å; F319-L343 HydrophobicContact CZ-CD2 4.07Å; F319-F351 HydrophobicContact CB-CD2 4.42Å; F319-F351 HydrophobicContact CB-CE2 3.8Å
320	I	96.3	Very high	91.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.			trans	-115.2	121.6	-177	-54.6	-175.4	0	0	0	106.7	C309 L310 T312 G317 L333 F351 E354 F355 L358	C309-I320 CarbonylContact C-O 3.58Å; C309-I320 WeakPolarHBondContact CA-O 3.47Å; L310-I320 HydrophobicContact CB-CG2 4.47Å; L310-I320 PolarHBondContact N-O 2.85Å; T312-I320 HydrophobicContact CG2-CD1 4.4Å; G317-I320 PolarHBondContact O-N 3.07Å; G317-I320 VanDerWaalsContact O-O 3.04Å; I320-L333 HydrophobicContact CG2-CD1 3.45Å; I320-L333 VanDerWaalsContact CG2-CD1 3.45Å; I320-L333 HydrophobicContact CG2-CD2 4.02Å; I320-L333 HydrophobicContact CG2-CG 3.79Å; I320-F351 HydrophobicContact CD1-CE2 3.97Å; I320-F351 HydrophobicContact CD1-CZ 4.45Å; I320-F351 HydrophobicContact CG1-CE2 3.53Å; I320-F351 HydrophobicContact CG1-CZ 3.95Å; I320-E354 HydrophobicContact CD1-CG 4.33Å; I320-F355 HydrophobicContact CD1-CD2 4.33Å; I320-F355 HydrophobicContact CG1-CD2 4.23Å; I320-F355 HydrophobicContact CG2-CD2 4.3Å; I320-F355 HydrophobicContact CG2-CE2 4.44Å; I320-L358 HydrophobicContact CD1-CD1 3.86Å; I320-L358 HydrophobicContact CG2-CD1 4.31Å
321	H	95.8	Very high	91.9	Very high	5 Å²	5	56 Å²	56	2%	0.023	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.2	-172.3	-50.4	-86.3	0	0	0	110	I305 R306 H334 Y336 E339	I305-H321 HydrophobicContact CG2-CB 3.74Å; R306-H321 PolarHBondContact O-CE1 2.88Å; H321-H334 HydrophobicContact CB-CB 4.35Å; H321-H334 PolarHBondContact N-O 2.8Å; H321-H334 PolarHBondContact O-N 2.73Å; H321-Y336 AromaticContact CD2-CD2 3.67Å; H321-Y336 AromaticContact CD2-CE2 3.77Å; H321-Y336 AromaticContact NE2-CD2 3.76Å; H321-E339 IonicContact CD2-OE2 3.35Å; H321-E339 IonicContact CE1-OE2 3.79Å; H321-E339 IonicContact NE2-OE1 2.65Å; H321-E339 PolarHBondContact NE2-OE1 3.16Å; H321-E339 CovalentContact NE2-OE2 1.82Å; H321-E339 IonicContact NE2-OE2 3.77Å; H321-E339 PolarHBondContact NE2-OE2 3.42Å
322	E	94.3	Very high	92.8	Very high	67 Å²	67	46.8 Å²	46.8	31%	0.313	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.6	174.7	179.2	179	-164.8	0	0	110.1	L310 S331 Y370	L310-E322 HydrophobicContact CD1-CB 3.78Å; E322-S331 WeakPolarHBondContact OE1-CB 3.45Å; E322-S331 PolarHBondContact OE1-OG 2.77Å; E322-Y370 HydrophobicContact CG-CE1 4.07Å
323	E	94.9	Very high	93.6	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.075	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.6	162.3	-170.8	-169.8	-154.4	0	0	109.3	Q301 I305 S331 V332 H334	Q301-E323 PolarHBondContact NE2-OE1 3.21Å; I305-E323 HydrophobicContact CD1-CB 4.13Å; I305-E323 HydrophobicContact CD1-CG 4.12Å; I305-E323 HydrophobicContact CG1-CB 4.02Å; I305-E323 HydrophobicContact CG1-CG 4.05Å; E323-S331 CarbonylContact O-C 3.23Å; E323-S331 VanDerWaalsContact O-CA 3.3Å; E323-S331 WeakPolarHBondContact O-CA 3.44Å; E323-V332 HydrophobicContact CB-CB 4.31Å; E323-V332 PolarHBondContact N-O 3.08Å; E323-V332 PolarHBondContact O-N 3.17Å; E323-H334 IonicContact OE2-NE2 2.62Å
324	K	94.7	Very high	94.4	Very high	142 Å²	142	41.3 Å²	41.3	62%	0.617	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.6	162.9	-170.5	165.2	-168.5	156.6	0	110.1	P326 G329	K324-P326 WeakPolarHBondContact O-CD 3.4Å; K324-G329 WeakPolarHBondContact CE-O 3.33Å
325	Q	94.8	Very high	95	Very high	23 Å²	23	37.9 Å²	37.9	11%	0.107	18%	0.18	C	C	.	.			trans	-67	122.6	-168.4	-151	-83.5	0.8	0	0	110.9	N327 G329 G330 I626	Q325-N327 VanDerWaalsContact C-N 3.34Å; Q325-N327 PolarHBondContact O-N 2.93Å; Q325-G329 VanDerWaalsContact O-CA 3.27Å; Q325-G329 WeakPolarHBondContact O-CA 3.34Å; Q325-G329 PolarHBondContact O-N 2.78Å; Q325-G330 PolarHBondContact N-O 2.89Å; Q325-I626 HydrophobicContact CB-CB 4.22Å; Q325-I626 HydrophobicContact CB-CG2 4.07Å; Q325-I626 HydrophobicContact CG-CB 4.37Å
326	P	94.3	Very high	95.4	Very high	98 Å²	98	31.7 Å²	31.7	64%	0.636	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-31	-165.2	-28.9	36.3	0	0	0	116.4	K324	K324-P326 WeakPolarHBondContact O-CD 3.4Å
327	N	96.3	Very high	95.5	Very high	99 Å²	99	31.6 Å²	31.6	53%	0.529	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-50.4	-175.4	-65.8	24.4	0	0	0	110.8	Q325 R619	Q325-N327 VanDerWaalsContact C-N 3.34Å; Q325-N327 PolarHBondContact O-N 2.93Å; N327-R619 WeakPolarHBondContact O-CD 3.14Å; N327-R619 WeakPolarHBondContact O-CG 3.48Å; N327-R619 PolarHBondContact O-NE 3.46Å
328	G	96.8	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-29.6	-176.7	0	0	0	0	0	113.8	G330 R619 R624 Y625	G328-G330 VanDerWaalsContact C-N 3.3Å; G328-G330 PolarHBondContact O-N 2.99Å; G328-R619 WeakPolarHBondContact O-CD 3.47Å; G328-R619 PolarHBondContact O-NE 3.48Å; G328-R624 VanDerWaalsContact O-CA 3.23Å; G328-R624 WeakPolarHBondContact O-CA 3.23Å; G328-Y625 CarbonylContact C-O 3.57Å; G328-Y625 VanDerWaalsContact CA-CE1 3.43Å; G328-Y625 VanDerWaalsContact CA-CZ 3.5Å; G328-Y625 WeakPolarHBondContact CA-O 3.45Å; G328-Y625 PolarHBondContact O-N 3.37Å
329	G	96.5	Very high	95.8	Very high	14 Å²	14	27.5 Å²	27.5	14%	0.144	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	75.5	5.8	173.4	0	0	0	0	0	116.4	K324 Q325 Y625	K324-G329 WeakPolarHBondContact CE-O 3.33Å; Q325-G329 VanDerWaalsContact O-CA 3.27Å; Q325-G329 WeakPolarHBondContact O-CA 3.34Å; Q325-G329 PolarHBondContact O-N 2.78Å; G329-Y625 PolarHBondContact N-O 2.95Å
330	G	96.6	Very high	95.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	15%	0.15	C	C	.	.			trans	-77.9	170	164.1	0	0	0	0	0	112	Q325 G328 Y625 I626	Q325-G330 PolarHBondContact N-O 2.89Å; G328-G330 VanDerWaalsContact C-N 3.3Å; G328-G330 PolarHBondContact O-N 2.99Å; G330-Y625 PolarHBondContact N-O 3.11Å; G330-Y625 VanDerWaalsContact N-O 3.12Å; G330-I626 VanDerWaalsContact C-CG2 3.43Å
331	S	96.9	Very high	95.7	Very high	14 Å²	14	31.4 Å²	31.4	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.9	178.2	-62.2	0	0	0	0	112.6	E322 E323 A371	E322-S331 WeakPolarHBondContact OE1-CB 3.45Å; E322-S331 PolarHBondContact OE1-OG 2.77Å; E323-S331 CarbonylContact O-C 3.23Å; E323-S331 VanDerWaalsContact O-CA 3.3Å; E323-S331 WeakPolarHBondContact O-CA 3.44Å; S331-A371 PolarHBondContact O-N 2.9Å
332	V	97.6	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.7	171.2	-170.9	0	0	0	0	108.3	E323 H334 L372 I626	E323-V332 HydrophobicContact CB-CB 4.31Å; E323-V332 PolarHBondContact N-O 3.08Å; E323-V332 PolarHBondContact O-N 3.17Å; V332-H334 VanDerWaalsContact CG1-NE2 3.28Å; V332-H334 WeakPolarHBondContact CG1-NE2 3.26Å; V332-L372 WeakPolarHBondContact CA-O 3.38Å; V332-L372 HydrophobicContact CG1-CB 4.16Å; V332-L372 HydrophobicContact CG1-CD2 4.49Å; V332-L372 HydrophobicContact CG1-CG 4.35Å; V332-L372 WeakPolarHBondContact CG1-O 3.4Å; V332-I626 HydrophobicContact CG2-CB 3.6Å; V332-I626 HydrophobicContact CG2-CD1 4.04Å; V332-I626 HydrophobicContact CG2-CG1 3.79Å; V332-I626 HydrophobicContact CG2-CG2 3.62Å
333	L	97.4	Very high	95.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.9	173.8	-160.1	65.5	0	0	0	110.5	I320 F355 L358 Y370 L372 T373 V374	I320-L333 HydrophobicContact CG2-CD1 3.45Å; I320-L333 VanDerWaalsContact CG2-CD1 3.45Å; I320-L333 HydrophobicContact CG2-CD2 4.02Å; I320-L333 HydrophobicContact CG2-CG 3.79Å; L333-F355 HydrophobicContact CD2-CD2 4.19Å; L333-F355 HydrophobicContact CD2-CE2 3.89Å; L333-F355 HydrophobicContact CD2-CZ 4.25Å; L333-F355 HydrophobicContact CG-CE2 3.91Å; L333-F355 HydrophobicContact CG-CZ 4.31Å; L333-L358 HydrophobicContact CD2-CB 3.76Å; L333-Y370 HydrophobicContact CB-CD1 4.01Å; L333-Y370 HydrophobicContact CB-CD2 4.18Å; L333-Y370 HydrophobicContact CB-CE1 4.23Å; L333-Y370 HydrophobicContact CB-CE2 4.37Å; L333-Y370 HydrophobicContact CB-CG 4.01Å; L333-Y370 HydrophobicContact CD1-CD1 4.49Å; L333-Y370 HydrophobicContact CD1-CE1 3.86Å; L333-Y370 HydrophobicContact CD1-CE2 4.17Å; L333-Y370 HydrophobicContact CD2-CD2 4.27Å; L333-Y370 HydrophobicContact CD2-CE2 3.95Å; L333-Y370 HydrophobicContact CG-CE2 4.4Å; L333-L372 PolarHBondContact N-O 2.99Å; L333-L372 VanDerWaalsContact N-O 3.16Å; L333-T373 HydrophobicContact CB-CG2 3.53Å; L333-T373 HydrophobicContact CD2-CG2 4.42Å; L333-T373 CarbonylContact O-C 3.5Å; L333-T373 WeakPolarHBondContact O-CA 3.34Å; L333-V374 PolarHBondContact O-N 3.39Å
334	H	97.6	Very high	95.7	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.1	-178.8	-60	-101.1	0	0	0	111.6	I305 H321 E323 V332 Y336 V374 H376	I305-H334 HydrophobicContact CG2-CB 3.99Å; H321-H334 HydrophobicContact CB-CB 4.35Å; H321-H334 PolarHBondContact N-O 2.8Å; H321-H334 PolarHBondContact O-N 2.73Å; E323-H334 IonicContact OE2-NE2 2.62Å; V332-H334 VanDerWaalsContact CG1-NE2 3.28Å; V332-H334 WeakPolarHBondContact CG1-NE2 3.26Å; H334-Y336 HydrophobicContact CB-CE2 4.02Å; H334-V374 CarbonylContact C-O 3.58Å; H334-V374 WeakPolarHBondContact CA-O 3.42Å; H334-H376 AromaticContact CE1-NE2 3.81Å; H334-H376 AromaticContact ND1-CD2 3.8Å; H334-H376 AromaticContact ND1-NE2 3Å; H334-H376 PolarHBondContact ND1-NE2 3.24Å
335	A	97.3	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	165.2	160.3	0	0	0	0	0	109.2	L340 F351 F355 V374 I375 H376	A335-L340 HydrophobicContact CB-CD1 4.32Å; A335-F351 HydrophobicContact CB-CE1 4.2Å; A335-F351 HydrophobicContact CB-CZ 3.71Å; A335-F355 HydrophobicContact CB-CD2 3.94Å; A335-F355 HydrophobicContact CB-CE2 3.53Å; A335-F355 HydrophobicContact CB-CZ 4.14Å; A335-V374 PolarHBondContact N-O 3.07Å; A335-I375 HydrophobicContact CB-CG1 4.47Å; A335-I375 HydrophobicContact CB-CG2 4.07Å; A335-I375 CarbonylContact O-C 3.52Å; A335-I375 WeakPolarHBondContact O-CA 3.21Å; A335-H376 PolarHBondContact O-N 2.85Å
336	Y	96.2	Very high	95.8	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	122.5	-166.6	-70.1	-86.1	0	0	0	111.4	D302 I305 R306 H321 H334 D338 E339 L340 H376	D302-Y336 WeakPolarHBondContact OD1-CE1 3.44Å; D302-Y336 VanDerWaalsContact OD1-CZ 3.27Å; D302-Y336 PolarHBondContact OD1-OH 3.21Å; I305-Y336 HydrophobicContact CG2-CE2 4.26Å; R306-Y336 HydrophobicContact CG-CD2 3.85Å; R306-Y336 HydrophobicContact CG-CE1 4.32Å; R306-Y336 HydrophobicContact CG-CE2 3.36Å; R306-Y336 VanDerWaalsContact CZ-CD1 3.41Å; R306-Y336 VanDerWaalsContact NE-CE1 3.33Å; H321-Y336 AromaticContact CD2-CD2 3.67Å; H321-Y336 AromaticContact CD2-CE2 3.77Å; H321-Y336 AromaticContact NE2-CD2 3.76Å; H334-Y336 HydrophobicContact CB-CE2 4.02Å; Y336-D338 VanDerWaalsContact C-N 3.28Å; Y336-D338 PolarHBondContact O-N 3.01Å; Y336-E339 PolarHBondContact O-N 2.78Å; Y336-L340 WeakPolarHBondContact O-CG 3.22Å; Y336-L340 PolarHBondContact O-N 2.96Å; Y336-H376 HydrophobicContact CD1-CB 3.64Å; Y336-H376 AromaticContact CD1-CD2 3.71Å; Y336-H376 AromaticContact CD1-CG 3.98Å; Y336-H376 HydrophobicContact CE1-CB 4.07Å; Y336-H376 AromaticContact CE1-CD2 3.39Å; Y336-H376 WeakPolarHBondContact CE1-CD2 3.46Å; Y336-H376 AromaticContact CE1-CG 3.93Å; Y336-H376 HydrophobicContact CG-CB 4.47Å; Y336-H376 AromaticContact CZ-CD2 3.84Å
337	A	95.3	Very high	95.9	Very high	28 Å²	28	32.6 Å²	32.6	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-31.2	-172.9	0	0	0	0	0	113.6	E339 L340 A341 H376	A337-E339 VanDerWaalsContact C-N 3.25Å; A337-E339 PolarHBondContact O-N 3.38Å; A337-L340 PolarHBondContact O-N 2.82Å; A337-A341 WeakPolarHBondContact O-CB 3.33Å; A337-A341 PolarHBondContact O-N 3.45Å; A337-H376 VanDerWaalsContact CB-O 3.29Å; A337-H376 WeakPolarHBondContact CB-O 3.4Å; A337-H376 PolarHBondContact N-O 2.71Å
338	D	93.4	Very high	96	Very high	53 Å²	53	29.9 Å²	29.9	28%	0.283	20%	0.202	S	C	.	.	H	α-helix	trans	-70.7	-18.6	175.7	65	-55.3	0	0	0	113.7	Y286 T295 R306 Y336	Y286-D338 PolarHBondContact OH-O 2.82Å; T295-D338 HydrophobicContact CG2-CB 4.45Å; T295-D338 PolarHBondContact OG1-OD2 3.34Å; T295-D338 VanDerWaalsContact OG1-OD2 3.06Å; R306-D338 IonicContact CZ-OD1 3.62Å; R306-D338 IonicContact CZ-OD2 2.7Å; R306-D338 IonicContact NH1-OD1 2.94Å; R306-D338 PolarHBondContact NH1-OD1 3.38Å; R306-D338 IonicContact NH1-OD2 2.78Å; R306-D338 PolarHBondContact NH1-OD2 3.32Å; R306-D338 IonicContact NH2-OD1 3.37Å; R306-D338 PolarHBondContact NH2-OD1 2.82Å; R306-D338 IonicContact NH2-OD2 3.6Å; R306-D338 PolarHBondContact NH2-OD2 3.21Å; Y336-D338 VanDerWaalsContact C-N 3.28Å; Y336-D338 PolarHBondContact O-N 3.01Å
339	E	93.7	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-89.4	-41	172.2	-42.7	-166.4	154.7	0	0	111	Y286 R306 F319 H321 Y336 A337 A341 C342	Y286-E339 HydrophobicContact CE1-CB 3.94Å; Y286-E339 HydrophobicContact CE1-CG 3.75Å; Y286-E339 VanDerWaalsContact OH-CA 3.31Å; Y286-E339 WeakPolarHBondContact OH-CA 3.37Å; Y286-E339 WeakPolarHBondContact OH-CG 3.3Å; R306-E339 WeakPolarHBondContact CD-OE1 3.4Å; R306-E339 IonicContact CZ-OE1 3.45Å; R306-E339 IonicContact NE-OE1 3.19Å; R306-E339 VanDerWaalsContact NH1-CG 3.35Å; R306-E339 IonicContact NH1-OE1 3.21Å; R306-E339 PolarHBondContact NH1-OE1 3.26Å; F319-E339 HydrophobicContact CD1-CB 3.87Å; F319-E339 HydrophobicContact CE1-CB 4.34Å; F319-E339 WeakPolarHBondContact CE1-O 3.34Å; H321-E339 IonicContact CD2-OE2 3.35Å; H321-E339 IonicContact CE1-OE2 3.79Å; H321-E339 IonicContact NE2-OE1 2.65Å; H321-E339 PolarHBondContact NE2-OE1 3.16Å; H321-E339 CovalentContact NE2-OE2 1.82Å; H321-E339 IonicContact NE2-OE2 3.77Å; H321-E339 PolarHBondContact NE2-OE2 3.42Å; Y336-E339 PolarHBondContact O-N 2.78Å; A337-E339 VanDerWaalsContact C-N 3.25Å; A337-E339 PolarHBondContact O-N 3.38Å; E339-A341 VanDerWaalsContact C-N 3.29Å; E339-A341 PolarHBondContact O-N 3.44Å; E339-C342 PolarHBondContact O-SG 3.05Å
340	L	95.8	Very high	96	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-70.9	-20.8	178.1	-59.7	176.4	0	0	0	113.6	F319 A335 Y336 A337 C342 L343 M348 F351 I375 F463	F319-L340 HydrophobicContact CB-CD2 3.76Å; F319-L340 HydrophobicContact CD2-CD2 4.41Å; F319-L340 HydrophobicContact CG-CD2 4.04Å; A335-L340 HydrophobicContact CB-CD1 4.32Å; Y336-L340 WeakPolarHBondContact O-CG 3.22Å; Y336-L340 PolarHBondContact O-N 2.96Å; A337-L340 PolarHBondContact O-N 2.82Å; L340-C342 PolarHBondContact O-N 3.02Å; L340-L343 HydrophobicContact CB-CD1 4.5Å; L340-L343 HydrophobicContact CD2-CD1 3.89Å; L340-L343 WeakPolarHBondContact O-CB 3.47Å; L340-L343 WeakPolarHBondContact O-CG 3.3Å; L340-L343 PolarHBondContact O-N 2.92Å; L340-M348 HydrophobicContact CB-CE 3.86Å; L340-M348 HydrophobicContact CB-SD 4.08Å; L340-M348 HydrophobicContact CD1-SD 4.36Å; L340-M348 WeakPolarHBondContact O-CE 3.23Å; L340-F351 HydrophobicContact CD1-CD1 4.04Å; L340-F351 HydrophobicContact CD1-CE1 3.57Å; L340-F351 HydrophobicContact CD1-CZ 4.05Å; L340-F351 HydrophobicContact CD2-CD1 3.83Å; L340-F351 HydrophobicContact CD2-CD2 3.7Å; L340-F351 HydrophobicContact CD2-CE1 3.67Å; L340-F351 HydrophobicContact CD2-CE2 3.57Å; L340-F351 HydrophobicContact CD2-CG 3.87Å; L340-F351 HydrophobicContact CD2-CZ 3.56Å; L340-F351 HydrophobicContact CG-CE1 4.28Å; L340-F351 HydrophobicContact CG-CZ 4.41Å; L340-I375 HydrophobicContact CD1-CG2 4.08Å; L340-F463 HydrophobicContact CD1-CZ 4.14Å
341	A	94.4	Very high	96.1	Very high	82 Å²	82	33.1 Å²	33.1	68%	0.678	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.5	177.7	0	0	0	0	0	115.1	A337 E339	A337-A341 WeakPolarHBondContact O-CB 3.33Å; A337-A341 PolarHBondContact O-N 3.45Å; E339-A341 VanDerWaalsContact C-N 3.29Å; E339-A341 PolarHBondContact O-N 3.44Å
342	C	91.6	Very high	96.1	Very high	77 Å²	77	32.4 Å²	32.4	52%	0.52	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.1	172.4	72.7	0	0	0	0	114.6	F319 E339 L340	F319-C342 VanDerWaalsContact CZ-SG 3.57Å; E339-C342 PolarHBondContact O-SG 3.05Å; L340-C342 PolarHBondContact O-N 3.02Å
343	L	95.3	Very high	96.1	Very high	21 Å²	21	38.1 Å²	38.1	11%	0.11	24%	0.235	C	C	.	.	S	Bend	trans	-85.5	140.6	177.2	-60.5	-178.9	0	0	0	111.5	Y316 F319 L340 E347 M348 F351	Y316-L343 HydrophobicContact CE1-CD2 4.48Å; F319-L343 HydrophobicContact CE2-CD2 3.74Å; F319-L343 HydrophobicContact CE2-CG 4.38Å; F319-L343 HydrophobicContact CZ-CD2 4.07Å; L340-L343 HydrophobicContact CB-CD1 4.5Å; L340-L343 HydrophobicContact CD2-CD1 3.89Å; L340-L343 WeakPolarHBondContact O-CB 3.47Å; L340-L343 WeakPolarHBondContact O-CG 3.3Å; L340-L343 PolarHBondContact O-N 2.92Å; L343-E347 HydrophobicContact CB-CB 4.09Å; L343-E347 HydrophobicContact CD2-CB 4.16Å; L343-M348 HydrophobicContact CB-CE 4.42Å; L343-M348 HydrophobicContact CD1-SD 4.26Å; L343-F351 HydrophobicContact CD1-CB 3.87Å; L343-F351 HydrophobicContact CD1-CD2 4.46Å; L343-F351 HydrophobicContact CD1-CG 4.16Å
344	S	96.4	Very high	96.1	Very high	54 Å²	54	39.3 Å²	39.3	38%	0.378	24%	0.241	S	C	.	.			trans	-71.2	160.8	164.4	66.2	0	0	0	0	111.2	A346 E347 M348	S344-A346 VanDerWaalsContact C-N 3.32Å; S344-A346 PolarHBondContact O-N 2.8Å; S344-E347 WeakPolarHBondContact CB-OE2 3.42Å; S344-E347 PolarHBondContact N-OE2 2.9Å; S344-E347 CarbonylContact O-C 3.54Å; S344-E347 WeakPolarHBondContact O-CA 3.2Å; S344-E347 WeakPolarHBondContact O-CB 3.23Å; S344-E347 PolarHBondContact O-N 2.75Å; S344-E347 VanDerWaalsContact OG-CG 3.31Å; S344-E347 WeakPolarHBondContact OG-CG 3.32Å; S344-E347 PolarHBondContact OG-OE2 3.44Å; S344-M348 PolarHBondContact O-N 3.24Å
345	P	96	Very high	96.1	Very high	109 Å²	109	39 Å²	39	71%	0.708	24%	0.239	S	C	*	.	H	α-helix	trans	-54.6	-41.8	-176.3	-29.3	36.5	0	0	0	114.4	E347 M348 D349	P345-E347 VanDerWaalsContact C-N 3.27Å; P345-E347 PolarHBondContact O-N 3.25Å; P345-M348 WeakPolarHBondContact O-CB 3.23Å; P345-M348 PolarHBondContact O-N 3.2Å; P345-D349 PolarHBondContact O-N 3.49Å
346	A	96.5	Very high	96.1	Very high	72 Å²	72	39.1 Å²	39.1	60%	0.595	24%	0.24	S	C	*	.	H	α-helix	trans	-68.9	-24.2	177.4	0	0	0	0	0	113.5	S344 G350	S344-A346 VanDerWaalsContact C-N 3.32Å; S344-A346 PolarHBondContact O-N 2.8Å; A346-G350 PolarHBondContact O-N 3.11Å
347	E	96.8	Very high	96.1	Very high	44 Å²	44	45.6 Å²	45.6	21%	0.206	27%	0.27	C	S	.	.	H	α-helix	trans	-82.5	-34.1	173.1	-64.9	168.3	132.9	0	0	111.4	R315 Y316 L343 S344 P345 G350 F351	R315-E347 IonicContact CZ-OE1 3.1Å; R315-E347 IonicContact NH1-OE1 3.66Å; R315-E347 PolarHBondContact NH1-OE1 2.97Å; R315-E347 IonicContact NH2-OE1 2.68Å; R315-E347 PolarHBondContact NH2-OE1 2.97Å; Y316-E347 HydrophobicContact CE1-CB 4.23Å; Y316-E347 WeakPolarHBondContact CE1-O 3.4Å; Y316-E347 WeakPolarHBondContact OH-CA 3.44Å; Y316-E347 PolarHBondContact OH-O 2.73Å; L343-E347 HydrophobicContact CB-CB 4.09Å; L343-E347 HydrophobicContact CD2-CB 4.16Å; S344-E347 WeakPolarHBondContact CB-OE2 3.42Å; S344-E347 PolarHBondContact N-OE2 2.9Å; S344-E347 CarbonylContact O-C 3.54Å; S344-E347 WeakPolarHBondContact O-CA 3.2Å; S344-E347 WeakPolarHBondContact O-CB 3.23Å; S344-E347 PolarHBondContact O-N 2.75Å; S344-E347 VanDerWaalsContact OG-CG 3.31Å; S344-E347 WeakPolarHBondContact OG-CG 3.32Å; S344-E347 PolarHBondContact OG-OE2 3.44Å; P345-E347 VanDerWaalsContact C-N 3.27Å; P345-E347 PolarHBondContact O-N 3.25Å; E347-G350 PolarHBondContact O-N 2.81Å; E347-F351 WeakPolarHBondContact O-CB 3.38Å; E347-F351 PolarHBondContact O-N 3.04Å
348	M	97.4	Very high	96.2	Very high	42 Å²	42	46.1 Å²	46.1	21%	0.207	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-42.4	170.2	-169.7	73.8	75.9	0	0	111.1	L340 L343 S344 P345 G350 F351 A352 P462 F463	L340-M348 HydrophobicContact CB-CE 3.86Å; L340-M348 HydrophobicContact CB-SD 4.08Å; L340-M348 HydrophobicContact CD1-SD 4.36Å; L340-M348 WeakPolarHBondContact O-CE 3.23Å; L343-M348 HydrophobicContact CB-CE 4.42Å; L343-M348 HydrophobicContact CD1-SD 4.26Å; S344-M348 PolarHBondContact O-N 3.24Å; P345-M348 WeakPolarHBondContact O-CB 3.23Å; P345-M348 PolarHBondContact O-N 3.2Å; M348-G350 VanDerWaalsContact C-N 3.27Å; M348-G350 PolarHBondContact O-N 2.89Å; M348-F351 PolarHBondContact O-N 2.8Å; M348-A352 VanDerWaalsContact O-CB 3.3Å; M348-A352 WeakPolarHBondContact O-CB 3.14Å; M348-A352 PolarHBondContact O-N 3.19Å; M348-P462 HydrophobicContact CG-CG 3.72Å; M348-F463 HydrophobicContact SD-CE2 4.28Å; M348-F463 HydrophobicContact SD-CZ 4.1Å
349	D	97	Very high	96.4	Very high	71 Å²	71	43.6 Å²	43.6	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-58.9	-38	171	-83.2	-24.9	0	0	0	112.3	P345 R353	P345-D349 PolarHBondContact O-N 3.49Å; D349-R353 PolarHBondContact O-N 2.82Å; D349-R353 PolarHBondContact O-NE 3Å; D349-R353 PolarHBondContact O-NH1 3.08Å; D349-R353 VanDerWaalsContact O-NH1 3.12Å; D349-R353 PolarHBondContact O-NH2 3.07Å
350	G	96.8	Very high	96.6	Very high	11 Å²	11	43.7 Å²	43.7	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-67.6	-47.4	175.4	0	0	0	0	0	112.3	A346 E347 M348 R353 E354	A346-G350 PolarHBondContact O-N 3.11Å; E347-G350 PolarHBondContact O-N 2.81Å; M348-G350 VanDerWaalsContact C-N 3.27Å; M348-G350 PolarHBondContact O-N 2.89Å; G350-R353 PolarHBondContact O-N 3.32Å; G350-E354 PolarHBondContact O-N 3.13Å
351	F	97.8	Very high	96.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-46	175.2	176.4	-87.4	0	0	0	111.7	Y316 F319 I320 A335 L340 L343 E347 M348 R353 E354 F355 F463	Y316-F351 HydrophobicContact CD1-CB 4.02Å; Y316-F351 HydrophobicContact CD1-CD2 4.26Å; Y316-F351 HydrophobicContact CE1-CB 4.34Å; Y316-F351 HydrophobicContact CG-CB 4.22Å; Y316-F351 HydrophobicContact CG-CD2 4.25Å; F319-F351 HydrophobicContact CB-CD2 4.42Å; F319-F351 HydrophobicContact CB-CE2 3.8Å; I320-F351 HydrophobicContact CD1-CE2 3.97Å; I320-F351 HydrophobicContact CD1-CZ 4.45Å; I320-F351 HydrophobicContact CG1-CE2 3.53Å; I320-F351 HydrophobicContact CG1-CZ 3.95Å; A335-F351 HydrophobicContact CB-CE1 4.2Å; A335-F351 HydrophobicContact CB-CZ 3.71Å; L340-F351 HydrophobicContact CD1-CD1 4.04Å; L340-F351 HydrophobicContact CD1-CE1 3.57Å; L340-F351 HydrophobicContact CD1-CZ 4.05Å; L340-F351 HydrophobicContact CD2-CD1 3.83Å; L340-F351 HydrophobicContact CD2-CD2 3.7Å; L340-F351 HydrophobicContact CD2-CE1 3.67Å; L340-F351 HydrophobicContact CD2-CE2 3.57Å; L340-F351 HydrophobicContact CD2-CG 3.87Å; L340-F351 HydrophobicContact CD2-CZ 3.56Å; L340-F351 HydrophobicContact CG-CE1 4.28Å; L340-F351 HydrophobicContact CG-CZ 4.41Å; L343-F351 HydrophobicContact CD1-CB 3.87Å; L343-F351 HydrophobicContact CD1-CD2 4.46Å; L343-F351 HydrophobicContact CD1-CG 4.16Å; E347-F351 WeakPolarHBondContact O-CB 3.38Å; E347-F351 PolarHBondContact O-N 3.04Å; M348-F351 PolarHBondContact O-N 2.8Å; F351-R353 VanDerWaalsContact C-N 3.31Å; F351-R353 PolarHBondContact O-N 2.98Å; F351-E354 PolarHBondContact O-N 3.33Å; F351-F355 HydrophobicContact CD1-CB 4.38Å; F351-F355 HydrophobicContact CE1-CB 3.85Å; F351-F355 HydrophobicContact CE1-CD2 4.17Å; F351-F355 HydrophobicContact CE1-CG 4.11Å; F351-F355 HydrophobicContact CZ-CB 4.05Å; F351-F355 AromaticContact CZ-CD2 3.79Å; F351-F355 HydrophobicContact CZ-CD2 3.79Å; F351-F355 HydrophobicContact CZ-CG 4.17Å; F351-F355 WeakPolarHBondContact O-CB 3.39Å; F351-F355 PolarHBondContact O-N 3.42Å; F351-F463 AromaticContact CD1-CE1 3.68Å; F351-F463 HydrophobicContact CD1-CE1 3.68Å; F351-F463 AromaticContact CD1-CZ 3.71Å; F351-F463 HydrophobicContact CD1-CZ 3.71Å; F351-F463 AromaticContact CE1-CE1 3.7Å; F351-F463 HydrophobicContact CE1-CE1 3.7Å; F351-F463 AromaticContact CE1-CZ 3.81Å; F351-F463 HydrophobicContact CE1-CZ 3.81Å
352	A	98.2	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-38.1	-178.7	0	0	0	0	0	112.3	M348 L356 P462 F463	M348-A352 VanDerWaalsContact O-CB 3.3Å; M348-A352 WeakPolarHBondContact O-CB 3.14Å; M348-A352 PolarHBondContact O-N 3.19Å; A352-L356 VanDerWaalsContact O-CB 3.27Å; A352-L356 WeakPolarHBondContact O-CB 3.36Å; A352-L356 WeakPolarHBondContact O-CG 3.2Å; A352-L356 PolarHBondContact O-N 2.75Å; A352-P462 HydrophobicContact CB-CB 4.1Å; A352-P462 HydrophobicContact CB-CG 4.39Å; A352-F463 HydrophobicContact CB-CD1 3.58Å; A352-F463 HydrophobicContact CB-CE1 3.58Å; A352-F463 HydrophobicContact CB-CG 4.28Å; A352-F463 HydrophobicContact CB-CZ 4.27Å
353	R	97.3	Very high	96.4	Very high	120 Å²	120	43.7 Å²	43.7	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-52.5	173	-75.5	-176.9	-70.9	-85.1	3.2	112	D349 G350 F351 F355 L356 E357 M466	D349-R353 PolarHBondContact O-N 2.82Å; D349-R353 PolarHBondContact O-NE 3Å; D349-R353 PolarHBondContact O-NH1 3.08Å; D349-R353 VanDerWaalsContact O-NH1 3.12Å; D349-R353 PolarHBondContact O-NH2 3.07Å; G350-R353 PolarHBondContact O-N 3.32Å; F351-R353 VanDerWaalsContact C-N 3.31Å; F351-R353 PolarHBondContact O-N 2.98Å; R353-F355 PolarHBondContact O-N 3.46Å; R353-L356 PolarHBondContact O-N 2.7Å; R353-E357 VanDerWaalsContact O-CB 3.28Å; R353-E357 WeakPolarHBondContact O-CB 3.48Å; R353-E357 PolarHBondContact O-N 2.75Å; R353-M466 HydrophobicContact CG-CE 3.68Å; R353-M466 HydrophobicContact CG-SD 3.83Å
354	E	96.8	Very high	95.5	Very high	25 Å²	25	48.5 Å²	48.5	12%	0.117	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-41.6	-179.4	-176.9	175.9	143.5	0	0	112.3	T312 T314 Y316 I320 G350 F351 E357 L358	T312-E354 WeakPolarHBondContact CB-OE1 3.47Å; T312-E354 VanDerWaalsContact CG2-OE1 3.3Å; T312-E354 WeakPolarHBondContact CG2-OE1 3.39Å; T312-E354 PolarHBondContact OG1-OE1 2.93Å; T314-E354 VanDerWaalsContact CB-OE2 3.24Å; T314-E354 WeakPolarHBondContact CB-OE2 3.24Å; T314-E354 WeakPolarHBondContact CG2-OE2 3.31Å; T314-E354 PolarHBondContact OG1-OE1 2.72Å; T314-E354 PolarHBondContact OG1-OE2 3.14Å; Y316-E354 WeakPolarHBondContact CD2-OE2 3.34Å; I320-E354 HydrophobicContact CD1-CG 4.33Å; G350-E354 PolarHBondContact O-N 3.13Å; F351-E354 PolarHBondContact O-N 3.33Å; E354-E357 PolarHBondContact O-N 2.71Å; E354-L358 HydrophobicContact CG-CD1 4.27Å; E354-L358 WeakPolarHBondContact O-CB 3.27Å; E354-L358 WeakPolarHBondContact O-CG 3.34Å; E354-L358 PolarHBondContact O-N 3.24Å
355	F	98.1	Very high	94.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-42.2	177.9	-171.7	-88.8	0	0	0	111.9	I320 L333 A335 F351 R353 T359 I375 F637	I320-F355 HydrophobicContact CD1-CD2 4.33Å; I320-F355 HydrophobicContact CG1-CD2 4.23Å; I320-F355 HydrophobicContact CG2-CD2 4.3Å; I320-F355 HydrophobicContact CG2-CE2 4.44Å; L333-F355 HydrophobicContact CD2-CD2 4.19Å; L333-F355 HydrophobicContact CD2-CE2 3.89Å; L333-F355 HydrophobicContact CD2-CZ 4.25Å; L333-F355 HydrophobicContact CG-CE2 3.91Å; L333-F355 HydrophobicContact CG-CZ 4.31Å; A335-F355 HydrophobicContact CB-CD2 3.94Å; A335-F355 HydrophobicContact CB-CE2 3.53Å; A335-F355 HydrophobicContact CB-CZ 4.14Å; F351-F355 HydrophobicContact CD1-CB 4.38Å; F351-F355 HydrophobicContact CE1-CB 3.85Å; F351-F355 HydrophobicContact CE1-CD2 4.17Å; F351-F355 HydrophobicContact CE1-CG 4.11Å; F351-F355 HydrophobicContact CZ-CB 4.05Å; F351-F355 AromaticContact CZ-CD2 3.79Å; F351-F355 HydrophobicContact CZ-CD2 3.79Å; F351-F355 HydrophobicContact CZ-CG 4.17Å; F351-F355 WeakPolarHBondContact O-CB 3.39Å; F351-F355 PolarHBondContact O-N 3.42Å; R353-F355 PolarHBondContact O-N 3.46Å; F355-T359 WeakPolarHBondContact CE1-OG1 3.4Å; F355-T359 VanDerWaalsContact O-CB 3.23Å; F355-T359 WeakPolarHBondContact O-CB 3.41Å; F355-T359 PolarHBondContact O-N 3.02Å; F355-T359 PolarHBondContact O-OG1 2.81Å; F355-I375 HydrophobicContact CD1-CD1 3.88Å; F355-I375 HydrophobicContact CD1-CG1 4.12Å; F355-I375 HydrophobicContact CE1-CD1 3.78Å; F355-I375 HydrophobicContact CE1-CG1 3.53Å; F355-I375 HydrophobicContact CZ-CD1 4.49Å; F355-I375 HydrophobicContact CZ-CG1 3.84Å; F355-F637 HydrophobicContact CE1-CE2 4.41Å
356	L	98.1	Very high	93.9	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-72.9	-33.5	178.1	-68.6	174.3	0	0	0	112.7	A352 R353 T359 F360 M466 T467 L473 F637	A352-L356 VanDerWaalsContact O-CB 3.27Å; A352-L356 WeakPolarHBondContact O-CB 3.36Å; A352-L356 WeakPolarHBondContact O-CG 3.2Å; A352-L356 PolarHBondContact O-N 2.75Å; R353-L356 PolarHBondContact O-N 2.7Å; L356-T359 WeakPolarHBondContact O-CB 3.39Å; L356-T359 PolarHBondContact O-N 3.46Å; L356-F360 HydrophobicContact CD2-CE2 4.07Å; L356-F360 WeakPolarHBondContact O-CD2 3.41Å; L356-F360 PolarHBondContact O-N 2.85Å; L356-M466 HydrophobicContact CD1-CB 3.78Å; L356-M466 HydrophobicContact CD1-SD 4.38Å; L356-T467 HydrophobicContact CD1-CG2 3.73Å; L356-T467 HydrophobicContact CD2-CG2 3.75Å; L356-T467 HydrophobicContact CG-CG2 4.37Å; L356-L473 HydrophobicContact CB-CD1 4.14Å; L356-L473 HydrophobicContact CD1-CD1 3.97Å; L356-F637 HydrophobicContact CD2-CD1 4.13Å; L356-F637 HydrophobicContact CD2-CE1 3.77Å; L356-F637 HydrophobicContact CD2-CE2 4.26Å; L356-F637 HydrophobicContact CD2-CZ 3.85Å
357	E	96.4	Very high	93.6	Very high	141 Å²	141	49 Å²	49	66%	0.659	25%	0.249	S	C	*	.	H	α-helix	trans	-61.4	-47.5	171.4	-177.4	172.9	-168.6	0	0	111	R353 E354 A361	R353-E357 VanDerWaalsContact O-CB 3.28Å; R353-E357 WeakPolarHBondContact O-CB 3.48Å; R353-E357 PolarHBondContact O-N 2.75Å; E354-E357 PolarHBondContact O-N 2.71Å; E357-A361 WeakPolarHBondContact O-CB 3.4Å; E357-A361 PolarHBondContact O-N 2.74Å
358	L	96.3	Very high	93.6	Very high	39 Å²	39	46.9 Å²	46.9	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-39	173.3	-70.3	169.5	0	0	0	112.6	T312 I320 L333 E354 F360 A361 Y370	T312-L358 HydrophobicContact CG2-CD1 3.78Å; I320-L358 HydrophobicContact CD1-CD1 3.86Å; I320-L358 HydrophobicContact CG2-CD1 4.31Å; L333-L358 HydrophobicContact CD2-CB 3.76Å; E354-L358 HydrophobicContact CG-CD1 4.27Å; E354-L358 WeakPolarHBondContact O-CB 3.27Å; E354-L358 WeakPolarHBondContact O-CG 3.34Å; E354-L358 PolarHBondContact O-N 3.24Å; L358-F360 PolarHBondContact O-N 2.76Å; L358-A361 WeakPolarHBondContact O-CB 3.48Å; L358-A361 PolarHBondContact O-N 3.49Å; L358-Y370 HydrophobicContact CB-CE2 4.42Å; L358-Y370 WeakPolarHBondContact O-CD2 3.41Å; L358-Y370 WeakPolarHBondContact O-CE2 3.46Å
359	T	97.5	Very high	93.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-45	-179.7	-70.3	0	0	0	0	112.2	F355 L356 T373 F637 P639	F355-T359 WeakPolarHBondContact CE1-OG1 3.4Å; F355-T359 VanDerWaalsContact O-CB 3.23Å; F355-T359 WeakPolarHBondContact O-CB 3.41Å; F355-T359 PolarHBondContact O-N 3.02Å; F355-T359 PolarHBondContact O-OG1 2.81Å; L356-T359 WeakPolarHBondContact O-CB 3.39Å; L356-T359 PolarHBondContact O-N 3.46Å; T359-T373 HydrophobicContact CG2-CG2 3.75Å; T359-T373 WeakPolarHBondContact CG2-OG1 2.98Å; T359-T373 PolarHBondContact OG1-OG1 3.39Å; T359-F637 HydrophobicContact CG2-CB 3.71Å; T359-F637 HydrophobicContact CG2-CD2 4.43Å; T359-F637 HydrophobicContact CG2-CG 4.14Å; T359-P639 WeakPolarHBondContact O-CG 3.35Å
360	F	97.4	Very high	93.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	10	-178.4	-57	-59.7	0	0	0	113.5	L356 L358 E362 T467 A556 F637 P639 I659 L661 Q663	L356-F360 HydrophobicContact CD2-CE2 4.07Å; L356-F360 WeakPolarHBondContact O-CD2 3.41Å; L356-F360 PolarHBondContact O-N 2.85Å; L358-F360 PolarHBondContact O-N 2.76Å; F360-E362 PolarHBondContact O-N 2.75Å; F360-T467 HydrophobicContact CE2-CG2 4.09Å; F360-A556 HydrophobicContact CD1-CB 4.27Å; F360-A556 HydrophobicContact CE1-CB 3.81Å; F360-F637 HydrophobicContact CE1-CB 4.25Å; F360-F637 HydrophobicContact CZ-CB 4.08Å; F360-F637 HydrophobicContact CZ-CD1 4.04Å; F360-F637 HydrophobicContact CZ-CG 4.39Å; F360-P639 HydrophobicContact CD1-CB 4.33Å; F360-P639 HydrophobicContact CD1-CG 4.23Å; F360-I659 HydrophobicContact CZ-CG2 4.47Å; F360-L661 HydrophobicContact CB-CD1 3.85Å; F360-L661 HydrophobicContact CD1-CD1 3.45Å; F360-L661 VanDerWaalsContact CD1-CD1 3.45Å; F360-L661 HydrophobicContact CD2-CD1 3.72Å; F360-L661 HydrophobicContact CD2-CD2 4.02Å; F360-L661 HydrophobicContact CE1-CD1 3.84Å; F360-L661 HydrophobicContact CE2-CD1 4.07Å; F360-L661 HydrophobicContact CE2-CD2 4.25Å; F360-L661 HydrophobicContact CG-CD1 3.39Å; F360-L661 HydrophobicContact CG-CD2 4.47Å; F360-L661 HydrophobicContact CZ-CD1 4.13Å; F360-Q663 PolarHBondContact O-NE2 2.95Å
361	A	95.3	Very high	93.6	Very high	30 Å²	30	43.4 Å²	43.4	25%	0.248	22%	0.219	C	C	.	.			trans	-59	134.4	174.6	0	0	0	0	0	110.7	E357 L358 A368 V369	E357-A361 WeakPolarHBondContact O-CB 3.4Å; E357-A361 PolarHBondContact O-N 2.74Å; L358-A361 WeakPolarHBondContact O-CB 3.48Å; L358-A361 PolarHBondContact O-N 3.49Å; A361-A368 CarbonylContact O-C 3.48Å; A361-A368 WeakPolarHBondContact O-CA 3.43Å; A361-V369 HydrophobicContact CB-CB 4.39Å; A361-V369 HydrophobicContact CB-CG2 3.82Å; A361-V369 WeakPolarHBondContact O-CG2 3.46Å; A361-V369 PolarHBondContact O-N 3.37Å
362	E	94.1	Very high	93.7	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.271	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.4	177.5	-63.6	-170	153.1	0	0	111.4	F360 G366 R640 Y664	F360-E362 PolarHBondContact O-N 2.75Å; E362-G366 WeakPolarHBondContact OE2-CA 3.45Å; E362-R640 WeakPolarHBondContact OE1-CG 3.45Å; E362-R640 IonicContact OE1-CZ 3.77Å; E362-R640 IonicContact OE1-NE 2.72Å; E362-R640 PolarHBondContact OE1-NE 3.25Å; E362-R640 IonicContact OE1-NH2 2.73Å; E362-R640 PolarHBondContact OE1-NH2 2.83Å; E362-R640 IonicContact OE2-CZ 3.33Å; E362-R640 IonicContact OE2-NE 3.39Å; E362-R640 IonicContact OE2-NH2 3.86Å; E362-R640 PolarHBondContact OE2-NH2 3.01Å; E362-Y664 HydrophobicContact CG-CE1 4.32Å; E362-Y664 WeakPolarHBondContact OE1-CE1 3.4Å
363	K	88.9	Confident	93.7	Very high	75 Å²	75	43.4 Å²	43.4	33%	0.326	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	156.7	165.4	-53.8	169.4	-174.2	113.2	0	108.3	K365 G366 A367 A368 V369 D583	K363-K365 PolarHBondContact O-N 3.44Å; K363-G366 PolarHBondContact O-N 2.95Å; K363-G366 VanDerWaalsContact O-N 3.16Å; K363-A367 VanDerWaalsContact CB-O 3.31Å; K363-A367 WeakPolarHBondContact CB-O 3.29Å; K363-A367 WeakPolarHBondContact CG-O 3.34Å; K363-A367 PolarHBondContact N-O 3.38Å; K363-A367 PolarHBondContact O-N 3.13Å; K363-A368 PolarHBondContact NZ-O 3.29Å; K363-V369 HydrophobicContact CG-CG2 4.04Å; K363-V369 PolarHBondContact NZ-O 3.46Å; K363-D583 IonicContact NZ-OD2 2.73Å
364	P	75.9	Confident	93.8	Very high	123 Å²	123	37.7 Å²	37.7	80%	0.799	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	139.2	173.3	-28.4	35.5	0	0	0	112.2
365	K	76.6	Confident	93.8	Very high	214 Å²	214	36.5 Å²	36.5	93%	0.93	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	22.6	-167.2	-45.9	174.4	-177.7	-179.7	0	116.2	K363 A367	K363-K365 PolarHBondContact O-N 3.44Å; K365-A367 PolarHBondContact O-N 3.37Å
366	G	82.1	Confident	93.8	Very high	18 Å²	18	37.9 Å²	37.9	19%	0.186	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	32.6	168.9	0	0	0	0	0	114.6	E362 K363 N641	E362-G366 WeakPolarHBondContact OE2-CA 3.45Å; K363-G366 PolarHBondContact O-N 2.95Å; K363-G366 VanDerWaalsContact O-N 3.16Å; G366-N641 PolarHBondContact O-ND2 3.47Å; G366-N641 VanDerWaalsContact O-ND2 3.17Å
367	A	91.9	Very high	93.7	Very high	12 Å²	12	38.8 Å²	38.8	10%	0.099	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.2	-178.7	0	0	0	0	0	110.1	K363 K365	K363-A367 VanDerWaalsContact CB-O 3.31Å; K363-A367 WeakPolarHBondContact CB-O 3.29Å; K363-A367 WeakPolarHBondContact CG-O 3.34Å; K363-A367 PolarHBondContact N-O 3.38Å; K363-A367 PolarHBondContact O-N 3.13Å; K365-A367 PolarHBondContact O-N 3.37Å
368	A	96.1	Very high	93.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.4	146	-179.3	0	0	0	0	0	113.9	A361 K363 A584 P639	A361-A368 CarbonylContact O-C 3.48Å; A361-A368 WeakPolarHBondContact O-CA 3.43Å; K363-A368 PolarHBondContact NZ-O 3.29Å; A368-A584 HydrophobicContact CB-CB 3.91Å; A368-P639 HydrophobicContact CB-CB 3.47Å; A368-P639 VanDerWaalsContact CB-CB 3.47Å; A368-P639 HydrophobicContact CB-CG 3.92Å
369	V	96.1	Very high	93.8	Very high	39 Å²	39	30.9 Å²	30.9	24%	0.236	17%	0.173	C	C	.	.	S	Bend	trans	-66.4	-47	178.3	174.5	0	0	0	0	110.8	A361 K363	A361-V369 HydrophobicContact CB-CB 4.39Å; A361-V369 HydrophobicContact CB-CG2 3.82Å; A361-V369 WeakPolarHBondContact O-CG2 3.46Å; A361-V369 PolarHBondContact O-N 3.37Å; K363-V369 HydrophobicContact CG-CG2 4.04Å; K363-V369 PolarHBondContact NZ-O 3.46Å
370	Y	97.7	Very high	93.7	Very high	11 Å²	11	34.5 Å²	34.5	4%	0.043	20%	0.199	C	C	.	.			trans	-109.3	149.4	-178.7	-53	-78.6	0	0	0	111.4	E322 L333 L358 T373	E322-Y370 HydrophobicContact CG-CE1 4.07Å; L333-Y370 HydrophobicContact CB-CD1 4.01Å; L333-Y370 HydrophobicContact CB-CD2 4.18Å; L333-Y370 HydrophobicContact CB-CE1 4.23Å; L333-Y370 HydrophobicContact CB-CE2 4.37Å; L333-Y370 HydrophobicContact CB-CG 4.01Å; L333-Y370 HydrophobicContact CD1-CD1 4.49Å; L333-Y370 HydrophobicContact CD1-CE1 3.86Å; L333-Y370 HydrophobicContact CD1-CE2 4.17Å; L333-Y370 HydrophobicContact CD2-CD2 4.27Å; L333-Y370 HydrophobicContact CD2-CE2 3.95Å; L333-Y370 HydrophobicContact CG-CE2 4.4Å; L358-Y370 HydrophobicContact CB-CE2 4.42Å; L358-Y370 WeakPolarHBondContact O-CD2 3.41Å; L358-Y370 WeakPolarHBondContact O-CE2 3.46Å; Y370-T373 HydrophobicContact CG-CG2 4.43Å
371	A	98	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-91	-14	177.2	0	0	0	0	0	113.2	S331 C581 I626 V642	S331-A371 PolarHBondContact O-N 2.9Å; A371-C581 HydrophobicContact CB-CB 4.09Å; A371-C581 WeakPolarHBondContact O-CB 3.34Å; A371-I626 HydrophobicContact CB-CG1 3.96Å; A371-I626 HydrophobicContact CB-CG2 4.15Å; A371-V642 WeakPolarHBondContact O-CG1 3.24Å
372	L	98.6	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	149	175.1	178.9	65.6	0	0	0	107.2	V332 L333 V374 I626 A628 L630 Y636 I638	V332-L372 WeakPolarHBondContact CA-O 3.38Å; V332-L372 HydrophobicContact CG1-CB 4.16Å; V332-L372 HydrophobicContact CG1-CD2 4.49Å; V332-L372 HydrophobicContact CG1-CG 4.35Å; V332-L372 WeakPolarHBondContact CG1-O 3.4Å; L333-L372 PolarHBondContact N-O 2.99Å; L333-L372 VanDerWaalsContact N-O 3.16Å; L372-V374 HydrophobicContact CD2-CG2 4.09Å; L372-V374 HydrophobicContact CG-CG2 4.04Å; L372-I626 HydrophobicContact CB-CD1 3.91Å; L372-I626 HydrophobicContact CB-CG1 4.29Å; L372-I626 HydrophobicContact CD2-CD1 3.85Å; L372-A628 HydrophobicContact CD2-CB 3.84Å; L372-L630 HydrophobicContact CD2-CD2 4.39Å; L372-Y636 HydrophobicContact CD1-CD2 4.26Å; L372-I638 HydrophobicContact CD1-CD1 4.41Å; L372-I638 HydrophobicContact CD1-CG1 3.79Å
373	T	98.6	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.8	164.9	69.1	0	0	0	0	110.3	L333 T359 Y370 Y636 F637	L333-T373 HydrophobicContact CB-CG2 3.53Å; L333-T373 HydrophobicContact CD2-CG2 4.42Å; L333-T373 CarbonylContact O-C 3.5Å; L333-T373 WeakPolarHBondContact O-CA 3.34Å; T359-T373 HydrophobicContact CG2-CG2 3.75Å; T359-T373 WeakPolarHBondContact CG2-OG1 2.98Å; T359-T373 PolarHBondContact OG1-OG1 3.39Å; Y370-T373 HydrophobicContact CG-CG2 4.43Å; T373-Y636 VanDerWaalsContact O-CA 3.27Å; T373-Y636 WeakPolarHBondContact O-CA 3.49Å; T373-Y636 WeakPolarHBondContact O-CB 3.49Å; T373-F637 PolarHBondContact N-O 2.82Å; T373-F637 PolarHBondContact O-N 3.43Å; T373-F637 WeakPolarHBondContact OG1-CB 3.43Å; T373-F637 WeakPolarHBondContact OG1-CD2 3.43Å
374	V	98.6	Very high	94	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.6	-173.8	-163.3	0	0	0	0	110.4	L333 H334 A335 L372 H376 L630 D634 I635	L333-V374 PolarHBondContact O-N 3.39Å; H334-V374 CarbonylContact C-O 3.58Å; H334-V374 WeakPolarHBondContact CA-O 3.42Å; A335-V374 PolarHBondContact N-O 3.07Å; L372-V374 HydrophobicContact CD2-CG2 4.09Å; L372-V374 HydrophobicContact CG-CG2 4.04Å; V374-H376 VanDerWaalsContact CG1-CE1 3.43Å; V374-H376 WeakPolarHBondContact CG1-CE1 3.32Å; V374-L630 HydrophobicContact CB-CD2 4.28Å; V374-L630 HydrophobicContact CG1-CD2 3.72Å; V374-L630 HydrophobicContact CG2-CD2 3.48Å; V374-L630 VanDerWaalsContact CG2-CD2 3.48Å; V374-D634 HydrophobicContact CG1-CB 4.08Å; V374-I635 CarbonylContact C-O 3.57Å; V374-I635 WeakPolarHBondContact CA-O 3.47Å
375	I	98.3	Very high	94.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	99.3	169.3	-44.2	176	0	0	0	106.8	A335 L340 F355 A378 F463 I635 F637	A335-I375 HydrophobicContact CB-CG1 4.47Å; A335-I375 HydrophobicContact CB-CG2 4.07Å; A335-I375 CarbonylContact O-C 3.52Å; A335-I375 WeakPolarHBondContact O-CA 3.21Å; L340-I375 HydrophobicContact CD1-CG2 4.08Å; F355-I375 HydrophobicContact CD1-CD1 3.88Å; F355-I375 HydrophobicContact CD1-CG1 4.12Å; F355-I375 HydrophobicContact CE1-CD1 3.78Å; F355-I375 HydrophobicContact CE1-CG1 3.53Å; F355-I375 HydrophobicContact CZ-CD1 4.49Å; F355-I375 HydrophobicContact CZ-CG1 3.84Å; I375-A378 HydrophobicContact CB-CB 3.89Å; I375-A378 HydrophobicContact CG2-CB 3.59Å; I375-A378 WeakPolarHBondContact O-CB 3.45Å; I375-A378 PolarHBondContact O-N 2.98Å; I375-F463 HydrophobicContact CD1-CB 4.22Å; I375-F463 HydrophobicContact CD1-CD1 3.28Å; I375-F463 HydrophobicContact CD1-CD2 3.92Å; I375-F463 HydrophobicContact CD1-CE1 3.44Å; I375-F463 VanDerWaalsContact CD1-CE1 3.44Å; I375-F463 HydrophobicContact CD1-CE2 4.08Å; I375-F463 HydrophobicContact CD1-CG 3.54Å; I375-F463 HydrophobicContact CD1-CZ 3.85Å; I375-I635 PolarHBondContact N-O 2.91Å; I375-I635 PolarHBondContact O-N 3.24Å; I375-F637 HydrophobicContact CD1-CE2 3.81Å; I375-F637 HydrophobicContact CD1-CZ 4.28Å; I375-F637 HydrophobicContact CG1-CE2 4.09Å
376	H	97.3	Very high	95.9	Very high	28 Å²	28	18.2 Å²	18.2	13%	0.13	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.7	-171.1	-67.1	-69.3	0	0	0	111.6	H334 A335 Y336 A337 V374 A378 D634	H334-H376 AromaticContact CE1-NE2 3.81Å; H334-H376 AromaticContact ND1-CD2 3.8Å; H334-H376 AromaticContact ND1-NE2 3Å; H334-H376 PolarHBondContact ND1-NE2 3.24Å; A335-H376 PolarHBondContact O-N 2.85Å; Y336-H376 HydrophobicContact CD1-CB 3.64Å; Y336-H376 AromaticContact CD1-CD2 3.71Å; Y336-H376 AromaticContact CD1-CG 3.98Å; Y336-H376 HydrophobicContact CE1-CB 4.07Å; Y336-H376 AromaticContact CE1-CD2 3.39Å; Y336-H376 WeakPolarHBondContact CE1-CD2 3.46Å; Y336-H376 AromaticContact CE1-CG 3.93Å; Y336-H376 HydrophobicContact CG-CB 4.47Å; Y336-H376 AromaticContact CZ-CD2 3.84Å; A337-H376 VanDerWaalsContact CB-O 3.29Å; A337-H376 WeakPolarHBondContact CB-O 3.4Å; A337-H376 PolarHBondContact N-O 2.71Å; V374-H376 VanDerWaalsContact CG1-CE1 3.43Å; V374-H376 WeakPolarHBondContact CG1-CE1 3.32Å; H376-A378 PolarHBondContact O-N 2.86Å; H376-D634 VanDerWaalsContact CA-OD1 3.23Å; H376-D634 WeakPolarHBondContact CA-OD1 3.42Å; H376-D634 IonicContact CE1-OD2 1.82Å; H376-D634 PolarHBondContact CE1-OD2 2.87Å; H376-D634 IonicContact CG-OD1 3.66Å; H376-D634 IonicContact ND1-OD1 3.91Å; H376-D634 PolarHBondContact ND1-OD1 2.74Å; H376-D634 IonicContact ND1-OD2 3.6Å; H376-D634 PolarHBondContact ND1-OD2 2.9Å
377	G	95.9	Very high	96.5	Very high	22 Å²	22	19.5 Å²	19.5	23%	0.227	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	3.1	-179	0	0	0	0	0	115.7	A379 S380 D633 D634	G377-A379 VanDerWaalsContact C-N 3.26Å; G377-A379 PolarHBondContact O-N 3.06Å; G377-S380 WeakPolarHBondContact O-CB 3.48Å; G377-S380 PolarHBondContact O-N 3.06Å; G377-S380 PolarHBondContact O-OG 2.83Å; G377-D633 CarbonylContact C-O 3.57Å; G377-D633 WeakPolarHBondContact CA-O 3.43Å; G377-D633 PolarHBondContact N-O 2.86Å; G377-D634 PolarHBondContact N-OD1 3.03Å
378	A	97.4	Very high	96.8	Very high	15 Å²	15	20.8 Å²	20.8	12%	0.124	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.6	-172.8	0	0	0	0	0	115.2	I375 H376 Y381 D633 I635	I375-A378 HydrophobicContact CB-CB 3.89Å; I375-A378 HydrophobicContact CG2-CB 3.59Å; I375-A378 WeakPolarHBondContact O-CB 3.45Å; I375-A378 PolarHBondContact O-N 2.98Å; H376-A378 PolarHBondContact O-N 2.86Å; A378-Y381 WeakPolarHBondContact O-CD1 3.38Å; A378-D633 PolarHBondContact N-O 3.15Å; A378-I635 HydrophobicContact CB-CB 4.4Å; A378-I635 HydrophobicContact CB-CD1 3.65Å; A378-I635 HydrophobicContact CB-CG1 3.98Å
379	A	97.6	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	9.6	174.6	0	0	0	0	0	113.9	G377 Y381 L382 V560 K562 D633 I635	G377-A379 VanDerWaalsContact C-N 3.26Å; G377-A379 PolarHBondContact O-N 3.06Å; A379-Y381 PolarHBondContact O-N 3.1Å; A379-Y381 VanDerWaalsContact O-N 3.09Å; A379-L382 HydrophobicContact CB-CD1 4.26Å; A379-L382 WeakPolarHBondContact O-CB 3.33Å; A379-L382 PolarHBondContact O-N 3.32Å; A379-V560 HydrophobicContact CB-CG1 3.43Å; A379-V560 VanDerWaalsContact CB-CG1 3.43Å; A379-K562 HydrophobicContact CB-CD 4.49Å; A379-K562 PolarHBondContact O-NZ 3.39Å; A379-D633 WeakPolarHBondContact CB-O 3.31Å; A379-D633 PolarHBondContact N-O 2.93Å; A379-I635 HydrophobicContact CB-CD1 4.47Å; A379-I635 HydrophobicContact CB-CG1 4.01Å
380	S	95.3	Very high	96.9	Very high	76 Å²	76	19 Å²	19	53%	0.531	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.9	179.8	69.1	0	0	0	0	114.5	G377 D633	G377-S380 WeakPolarHBondContact O-CB 3.48Å; G377-S380 PolarHBondContact O-N 3.06Å; G377-S380 PolarHBondContact O-OG 2.83Å; S380-D633 WeakPolarHBondContact CA-OD1 3.36Å; S380-D633 VanDerWaalsContact CA-OD2 3.24Å; S380-D633 WeakPolarHBondContact CA-OD2 3.46Å; S380-D633 WeakPolarHBondContact CB-OD2 3.37Å; S380-D633 PolarHBondContact N-OD1 3.44Å
381	Y	95.6	Very high	96.8	Very high	85 Å²	85	25.2 Å²	25.2	33%	0.333	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.4	175.2	81	-82.7	0	0	0	113.2	A378 A379 M457 E460 S461	A378-Y381 WeakPolarHBondContact O-CD1 3.38Å; A379-Y381 PolarHBondContact O-N 3.1Å; A379-Y381 VanDerWaalsContact O-N 3.09Å; Y381-M457 WeakPolarHBondContact CE2-O 3.46Å; Y381-M457 PolarHBondContact OH-O 3.42Å; Y381-E460 HydrophobicContact CE2-CB 3.9Å; Y381-S461 VanDerWaalsContact OH-CB 3.26Å; Y381-S461 WeakPolarHBondContact OH-CB 3.47Å; Y381-S461 PolarHBondContact OH-N 2.87Å
382	L	96.9	Very high	96.8	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-82.5	150.5	177.9	-64.7	173.4	0	0	0	111.4	A379 F385 M457 L458 V560 K562	A379-L382 HydrophobicContact CB-CD1 4.26Å; A379-L382 WeakPolarHBondContact O-CB 3.33Å; A379-L382 PolarHBondContact O-N 3.32Å; L382-F385 HydrophobicContact CB-CE1 4Å; L382-F385 HydrophobicContact CD1-CE1 4.04Å; L382-F385 HydrophobicContact CD1-CZ 4.09Å; L382-M457 HydrophobicContact CD2-CB 3.86Å; L382-L458 HydrophobicContact CD1-CD2 3.77Å; L382-L458 HydrophobicContact CD2-CD2 4.28Å; L382-V560 HydrophobicContact CD1-CG1 4.13Å; L382-K562 WeakPolarHBondContact O-CE 3.17Å; L382-K562 PolarHBondContact O-NZ 2.71Å
383	P	94.9	Very high	96.8	Very high	43 Å²	43	32.4 Å²	32.4	28%	0.279	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-69.3	166	174.4	30.8	-36.6	0	0	0	112.7	F385 Y388 M457 K562	P383-F385 VanDerWaalsContact O-CD1 3.29Å; P383-F385 WeakPolarHBondContact O-CD1 3.43Å; P383-F385 PolarHBondContact O-N 3.08Å; P383-Y388 HydrophobicContact CB-CD2 4.33Å; P383-Y388 HydrophobicContact CG-CD2 3.73Å; P383-Y388 HydrophobicContact CG-CG 3.96Å; P383-M457 HydrophobicContact CG-CE 4.41Å; P383-K562 WeakPolarHBondContact O-CE 3.46Å
384	D	93.7	Very high	96.7	Very high	26 Å²	26	34.5 Å²	34.5	14%	0.139	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-58.9	122.6	160	177.7	-51.5	0	0	0	108	L386 D387 Y388	D384-L386 WeakPolarHBondContact OD1-CA 3.17Å; D384-L386 PolarHBondContact OD1-N 3.32Å; D384-D387 HydrophobicContact CB-CB 4.15Å; D384-D387 PolarHBondContact OD1-N 3.07Å; D384-Y388 VanDerWaalsContact O-CB 3.27Å; D384-Y388 WeakPolarHBondContact O-CB 3.35Å; D384-Y388 PolarHBondContact O-N 2.81Å
385	F	96.6	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-36	-172.7	-53.5	-34	0	0	0	112.5	L382 P383 Y388 F389 F454 M490 V560 K562 C653 L655	L382-F385 HydrophobicContact CB-CE1 4Å; L382-F385 HydrophobicContact CD1-CE1 4.04Å; L382-F385 HydrophobicContact CD1-CZ 4.09Å; P383-F385 VanDerWaalsContact O-CD1 3.29Å; P383-F385 WeakPolarHBondContact O-CD1 3.43Å; P383-F385 PolarHBondContact O-N 3.08Å; F385-Y388 PolarHBondContact O-N 3.46Å; F385-F389 VanDerWaalsContact O-CD2 3.28Å; F385-F389 WeakPolarHBondContact O-CD2 3.27Å; F385-F389 PolarHBondContact O-N 2.83Å; F385-F454 AromaticContact CD1-CE2 3.87Å; F385-F454 HydrophobicContact CD1-CE2 3.87Å; F385-F454 AromaticContact CD1-CZ 3.59Å; F385-F454 HydrophobicContact CD1-CZ 3.59Å; F385-F454 HydrophobicContact CE1-CE2 4.19Å; F385-F454 AromaticContact CE1-CZ 3.69Å; F385-F454 HydrophobicContact CE1-CZ 3.69Å; F385-F454 HydrophobicContact CG-CZ 4.31Å; F385-F454 HydrophobicContact CZ-CZ 4.49Å; F385-M490 HydrophobicContact CB-SD 3.69Å; F385-M490 HydrophobicContact CG-SD 4.43Å; F385-V560 HydrophobicContact CZ-CG1 4.06Å; F385-K562 HydrophobicContact CD1-CG 3.98Å; F385-K562 HydrophobicContact CD2-CB 4.04Å; F385-K562 HydrophobicContact CD2-CG 3.82Å; F385-K562 HydrophobicContact CE1-CD 4.44Å; F385-K562 HydrophobicContact CE1-CG 3.62Å; F385-K562 HydrophobicContact CE2-CB 4.03Å; F385-K562 HydrophobicContact CE2-CG 3.43Å; F385-K562 VanDerWaalsContact CE2-CG 3.43Å; F385-K562 HydrophobicContact CG-CB 4.39Å; F385-K562 HydrophobicContact CG-CG 4.08Å; F385-K562 HydrophobicContact CZ-CB 4.4Å; F385-K562 HydrophobicContact CZ-CD 4.28Å; F385-K562 HydrophobicContact CZ-CG 3.34Å; F385-C653 HydrophobicContact CB-CB 3.91Å; F385-C653 HydrophobicContact CD2-CB 3.69Å; F385-C653 HydrophobicContact CG-CB 4.23Å; F385-L655 HydrophobicContact CD2-CD1 4.44Å; F385-L655 HydrophobicContact CD2-CG 4.05Å; F385-L655 HydrophobicContact CE1-CD1 4.08Å; F385-L655 HydrophobicContact CE2-CD1 3.71Å; F385-L655 HydrophobicContact CE2-CD2 4.47Å; F385-L655 HydrophobicContact CE2-CG 3.55Å; F385-L655 HydrophobicContact CZ-CD1 3.48Å; F385-L655 VanDerWaalsContact CZ-CD1 3.48Å; F385-L655 HydrophobicContact CZ-CG 3.9Å
386	L	96.4	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.7	-41.4	-179.6	176.4	58.2	0	0	0	110.6	D384 A390 I413 F416 H417 V420 V492 F566 C653	D384-L386 WeakPolarHBondContact OD1-CA 3.17Å; D384-L386 PolarHBondContact OD1-N 3.32Å; L386-A390 WeakPolarHBondContact O-CB 3.36Å; L386-A390 PolarHBondContact O-N 2.76Å; L386-A390 VanDerWaalsContact O-N 3.09Å; L386-I413 HydrophobicContact CD1-CG1 4.29Å; L386-F416 HydrophobicContact CD1-CD1 3.72Å; L386-F416 HydrophobicContact CD1-CE1 3.86Å; L386-F416 HydrophobicContact CD2-CE1 4.26Å; L386-H417 HydrophobicContact CD1-CB 4.01Å; L386-H417 HydrophobicContact CG-CB 4.36Å; L386-V420 HydrophobicContact CD2-CB 4.13Å; L386-V420 HydrophobicContact CD2-CG1 4.01Å; L386-V420 HydrophobicContact CD2-CG2 4.09Å; L386-V492 HydrophobicContact CD2-CG1 4.43Å; L386-F566 HydrophobicContact CD2-CE2 4.03Å; L386-F566 HydrophobicContact CD2-CZ 4.12Å; L386-C653 VanDerWaalsContact CB-SG 3.57Å
387	D	95.7	Very high	96.5	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.241	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-51.9	170.1	-84.1	-29.7	0	0	0	111	D384 F389 A390 F391 H417	D384-D387 HydrophobicContact CB-CB 4.15Å; D384-D387 PolarHBondContact OD1-N 3.07Å; D387-F389 PolarHBondContact O-N 3.34Å; D387-A390 PolarHBondContact O-N 3.3Å; D387-A390 VanDerWaalsContact O-N 3.17Å; D387-F391 HydrophobicContact CB-CD2 4.08Å; D387-F391 HydrophobicContact CB-CE2 3.81Å; D387-F391 WeakPolarHBondContact O-CD2 3.45Å; D387-F391 PolarHBondContact O-N 3.33Å; D387-H417 IonicContact OD1-CD2 2.73Å; D387-H417 IonicContact OD1-CE1 2.75Å; D387-H417 IonicContact OD1-NE2 3.4Å; D387-H417 PolarHBondContact OD1-NE2 3.01Å
388	Y	96.8	Very high	96.5	Very high	38 Å²	38	42 Å²	42	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-54.6	-51.1	-176.5	177.8	-91.7	0	0	0	112.8	P383 D384 F385 N392 F393 F454 M457	P383-Y388 HydrophobicContact CB-CD2 4.33Å; P383-Y388 HydrophobicContact CG-CD2 3.73Å; P383-Y388 HydrophobicContact CG-CG 3.96Å; D384-Y388 VanDerWaalsContact O-CB 3.27Å; D384-Y388 WeakPolarHBondContact O-CB 3.35Å; D384-Y388 PolarHBondContact O-N 2.81Å; F385-Y388 PolarHBondContact O-N 3.46Å; Y388-N392 VanDerWaalsContact CD2-ND2 3.33Å; Y388-N392 WeakPolarHBondContact CD2-ND2 3.26Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.43Å; Y388-N392 WeakPolarHBondContact O-CB 3.3Å; Y388-N392 PolarHBondContact O-N 2.72Å; Y388-N392 PolarHBondContact O-ND2 2.95Å; Y388-F393 HydrophobicContact CE1-CD2 4.38Å; Y388-F393 AromaticContact CE1-CE2 3.91Å; Y388-F393 HydrophobicContact CE1-CE2 3.91Å; Y388-F454 AromaticContact CD1-CD2 3.63Å; Y388-F454 HydrophobicContact CD1-CD2 3.63Å; Y388-F454 HydrophobicContact CD1-CE2 4.02Å; Y388-F454 HydrophobicContact CE1-CB 4.07Å; Y388-F454 AromaticContact CE1-CD2 3.42Å; Y388-F454 HydrophobicContact CE1-CD2 3.42Å; Y388-F454 VanDerWaalsContact CE1-CD2 3.42Å; Y388-F454 HydrophobicContact CE1-CE2 4.27Å; Y388-F454 HydrophobicContact CE1-CG 4.12Å; Y388-F454 HydrophobicContact CG-CD2 4.37Å; Y388-F454 AromaticContact CZ-CD2 3.99Å; Y388-M457 HydrophobicContact CD2-CE 4.35Å; Y388-M457 HydrophobicContact CE1-CE 4.41Å; Y388-M457 HydrophobicContact CE2-CE 3.67Å
389	F	97.6	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-74.6	-29.7	-179.7	-74.3	-75.8	0	0	0	112.6	F385 D387 F393 I413 L439 F451 F454 M490	F385-F389 VanDerWaalsContact O-CD2 3.28Å; F385-F389 WeakPolarHBondContact O-CD2 3.27Å; F385-F389 PolarHBondContact O-N 2.83Å; D387-F389 PolarHBondContact O-N 3.34Å; F389-F393 HydrophobicContact CD1-CB 4.48Å; F389-F393 AromaticContact CD1-CD2 3.65Å; F389-F393 HydrophobicContact CD1-CD2 3.65Å; F389-F393 HydrophobicContact CD1-CE2 4.33Å; F389-F393 HydrophobicContact CD1-CG 4.38Å; F389-F393 HydrophobicContact CE1-CD2 4.08Å; F389-F393 HydrophobicContact CE1-CE2 4.35Å; F389-F393 CarbonylContact O-C 3.17Å; F389-F393 WeakPolarHBondContact O-CA 3.4Å; F389-F393 PolarHBondContact O-N 3.11Å; F389-I413 HydrophobicContact CB-CD1 3.58Å; F389-I413 HydrophobicContact CB-CG1 4.37Å; F389-L439 HydrophobicContact CE1-CD2 4.17Å; F389-L439 HydrophobicContact CE2-CD2 4.25Å; F389-L439 HydrophobicContact CZ-CD1 4.24Å; F389-L439 HydrophobicContact CZ-CD2 3.71Å; F389-F451 HydrophobicContact CD1-CD1 4.37Å; F389-F451 HydrophobicContact CD1-CE1 4.26Å; F389-F451 HydrophobicContact CD1-CZ 4.36Å; F389-F451 HydrophobicContact CE1-CB 4.16Å; F389-F451 AromaticContact CE1-CD1 3.82Å; F389-F451 HydrophobicContact CE1-CD1 3.82Å; F389-F451 AromaticContact CE1-CD2 3.76Å; F389-F451 HydrophobicContact CE1-CD2 3.76Å; F389-F451 HydrophobicContact CE1-CE1 4.08Å; F389-F451 HydrophobicContact CE1-CE2 4.03Å; F389-F451 AromaticContact CE1-CG 3.65Å; F389-F451 HydrophobicContact CE1-CG 3.65Å; F389-F451 HydrophobicContact CE1-CZ 4.18Å; F389-F451 HydrophobicContact CZ-CD2 4.35Å; F389-F451 HydrophobicContact CZ-CG 4.42Å; F389-F454 HydrophobicContact CE2-CD1 4.24Å; F389-F454 AromaticContact CE2-CD2 3.92Å; F389-F454 HydrophobicContact CE2-CD2 3.92Å; F389-F454 HydrophobicContact CE2-CE1 4.1Å; F389-F454 AromaticContact CE2-CE2 3.77Å; F389-F454 HydrophobicContact CE2-CE2 3.77Å; F389-F454 HydrophobicContact CE2-CG 4.14Å; F389-F454 AromaticContact CE2-CZ 3.86Å; F389-F454 HydrophobicContact CE2-CZ 3.86Å; F389-F454 HydrophobicContact CZ-CB 4.13Å; F389-F454 AromaticContact CZ-CD1 3.82Å; F389-F454 HydrophobicContact CZ-CD1 3.82Å; F389-F454 AromaticContact CZ-CD2 3.81Å; F389-F454 HydrophobicContact CZ-CD2 3.81Å; F389-F454 HydrophobicContact CZ-CE1 4.14Å; F389-F454 HydrophobicContact CZ-CE2 4.12Å; F389-F454 AromaticContact CZ-CG 3.63Å; F389-F454 HydrophobicContact CZ-CG 3.63Å; F389-F454 HydrophobicContact CZ-CZ 4.27Å; F389-M490 HydrophobicContact CD2-CE 3.65Å; F389-M490 HydrophobicContact CD2-SD 3.49Å; F389-M490 WeakPolarHBondContact CD2-SD 3.43Å; F389-M490 HydrophobicContact CE2-CE 4.18Å; F389-M490 HydrophobicContact CE2-SD 3.54Å; F389-M490 VanDerWaalsContact CE2-SD 3.54Å; F389-M490 HydrophobicContact CG-CE 4.23Å
390	A	97.1	Very high	96.3	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-31.3	175.4	0	0	0	0	0	113.6	L386 D387 P394 H417	L386-A390 WeakPolarHBondContact O-CB 3.36Å; L386-A390 PolarHBondContact O-N 2.76Å; L386-A390 VanDerWaalsContact O-N 3.09Å; D387-A390 PolarHBondContact O-N 3.3Å; D387-A390 VanDerWaalsContact O-N 3.17Å; A390-P394 WeakPolarHBondContact O-CA 3.2Å; A390-P394 WeakPolarHBondContact O-CB 3.44Å; A390-H417 HydrophobicContact CB-CB 3.55Å; A390-H417 WeakPolarHBondContact CB-CD2 3.48Å; A390-H417 VanDerWaalsContact CB-CG 3.5Å
391	F	96.8	Very high	96.2	Very high	141 Å²	141	42.3 Å²	42.3	62%	0.618	21%	0.214	S	C	*	.	H	α-helix	trans	-86.9	-44.9	177.5	-65.6	-54.9	0	0	0	113.3	D387	D387-F391 HydrophobicContact CB-CD2 4.08Å; D387-F391 HydrophobicContact CB-CE2 3.81Å; D387-F391 WeakPolarHBondContact O-CD2 3.45Å; D387-F391 PolarHBondContact O-N 3.33Å
392	N	97.6	Very high	96	Very high	92 Å²	92	39.5 Å²	39.5	49%	0.492	21%	0.205	S	C	.	.	H	α-helix	trans	-83.6	-34	-176	-63.8	-68.9	0	0	0	112.9	Y388 P394	Y388-N392 VanDerWaalsContact CD2-ND2 3.33Å; Y388-N392 WeakPolarHBondContact CD2-ND2 3.26Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.43Å; Y388-N392 WeakPolarHBondContact O-CB 3.3Å; Y388-N392 PolarHBondContact O-N 2.72Å; Y388-N392 PolarHBondContact O-ND2 2.95Å; N392-P394 WeakPolarHBondContact O-CD 3.37Å
393	F	97.3	Very high	95.5	Very high	59 Å²	59	39.7 Å²	39.7	26%	0.259	21%	0.205	S	C	.	.	S	Bend	trans	-127.1	50.2	-175.2	-54.9	-81.5	0	0	0	112.2	Y388 F389 N395 T396 I413 F451	Y388-F393 HydrophobicContact CE1-CD2 4.38Å; Y388-F393 AromaticContact CE1-CE2 3.91Å; Y388-F393 HydrophobicContact CE1-CE2 3.91Å; F389-F393 HydrophobicContact CD1-CB 4.48Å; F389-F393 AromaticContact CD1-CD2 3.65Å; F389-F393 HydrophobicContact CD1-CD2 3.65Å; F389-F393 HydrophobicContact CD1-CE2 4.33Å; F389-F393 HydrophobicContact CD1-CG 4.38Å; F389-F393 HydrophobicContact CE1-CD2 4.08Å; F389-F393 HydrophobicContact CE1-CE2 4.35Å; F389-F393 CarbonylContact O-C 3.17Å; F389-F393 WeakPolarHBondContact O-CA 3.4Å; F389-F393 PolarHBondContact O-N 3.11Å; F393-N395 PolarHBondContact O-N 2.86Å; F393-T396 WeakPolarHBondContact CB-OG1 3.38Å; F393-T396 WeakPolarHBondContact O-CB 3.08Å; F393-T396 PolarHBondContact O-N 2.83Å; F393-T396 PolarHBondContact O-OG1 3.15Å; F393-I413 WeakPolarHBondContact O-CG2 3.39Å; F393-F451 HydrophobicContact CB-CE1 4.11Å; F393-F451 AromaticContact CD1-CD1 3.84Å; F393-F451 HydrophobicContact CD1-CD1 3.84Å; F393-F451 AromaticContact CD1-CE1 3.71Å; F393-F451 HydrophobicContact CD1-CE1 3.71Å; F393-F451 AromaticContact CD2-CD1 3.93Å; F393-F451 HydrophobicContact CD2-CD1 3.93Å; F393-F451 HydrophobicContact CD2-CE1 4.04Å; F393-F451 AromaticContact CE1-CD1 3.75Å; F393-F451 HydrophobicContact CE1-CD1 3.75Å; F393-F451 HydrophobicContact CE1-CE1 4.12Å; F393-F451 AromaticContact CE2-CD1 3.85Å; F393-F451 HydrophobicContact CE2-CD1 3.85Å; F393-F451 HydrophobicContact CE2-CE1 4.42Å; F393-F451 AromaticContact CG-CD1 3.93Å; F393-F451 HydrophobicContact CG-CD1 3.93Å; F393-F451 AromaticContact CG-CE1 3.68Å; F393-F451 HydrophobicContact CG-CE1 3.68Å; F393-F451 AromaticContact CZ-CD1 3.76Å; F393-F451 HydrophobicContact CZ-CD1 3.76Å; F393-F451 HydrophobicContact CZ-CE1 4.45Å
394	P	97.6	Very high	94.9	Very high	44 Å²	44	39.3 Å²	39.3	29%	0.286	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.4	-166.2	21.9	-34.9	0	0	0	115.2	A390 N392 T412 S414	A390-P394 WeakPolarHBondContact O-CA 3.2Å; A390-P394 WeakPolarHBondContact O-CB 3.44Å; N392-P394 WeakPolarHBondContact O-CD 3.37Å; P394-T412 WeakPolarHBondContact O-CB 3.11Å; P394-T412 PolarHBondContact O-OG1 2.92Å; P394-S414 VanDerWaalsContact O-CB 3.23Å; P394-S414 WeakPolarHBondContact O-CB 3.36Å; P394-S414 PolarHBondContact O-N 3.43Å
395	N	97.1	Very high	94.5	Very high	134 Å²	134	40.5 Å²	40.5	72%	0.717	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.3	-176.7	-65.2	-42.2	0	0	0	114.1	F393	F393-N395 PolarHBondContact O-N 2.86Å
396	T	96.4	Very high	93.8	Very high	13 Å²	13	49.7 Å²	49.7	8%	0.08	25%	0.254	C	S	.	.			trans	-55.7	127	-178.1	-65.9	0	0	0	0	110.7	F393 T412 I413 I437 F451	F393-T396 WeakPolarHBondContact CB-OG1 3.38Å; F393-T396 WeakPolarHBondContact O-CB 3.08Å; F393-T396 PolarHBondContact O-N 2.83Å; F393-T396 PolarHBondContact O-OG1 3.15Å; T396-T412 CarbonylContact O-C 3.58Å; T396-T412 WeakPolarHBondContact O-CA 3.24Å; T396-I413 PolarHBondContact O-N 2.81Å; T396-I437 HydrophobicContact CG2-CD1 4.49Å; T396-F451 HydrophobicContact CG2-CZ 4.1Å
397	P	95.7	Very high	93.5	Very high	62 Å²	62	51.6 Å²	51.6	40%	0.403	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.2	-179.1	29.3	-34.3	0	0	0	110.7	T411	P397-T411 WeakPolarHBondContact CA-O 3.47Å
398	V	96.7	Very high	93.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.8	177.3	-59.4	0	0	0	0	110.4	T410 T411 I413 F416 M434 I437	V398-T410 WeakPolarHBondContact O-CA 3.39Å; V398-T411 HydrophobicContact CG2-CG2 3.79Å; V398-T411 PolarHBondContact N-O 3.08Å; V398-T411 PolarHBondContact O-N 3.01Å; V398-I413 HydrophobicContact CG1-CB 3.76Å; V398-I413 HydrophobicContact CG1-CD1 4.13Å; V398-I413 HydrophobicContact CG1-CG1 4.29Å; V398-F416 HydrophobicContact CG2-CB 3.96Å; V398-M434 HydrophobicContact CB-CG 3.99Å; V398-M434 HydrophobicContact CB-SD 3.81Å; V398-M434 HydrophobicContact CG1-CE 4.49Å; V398-M434 HydrophobicContact CG1-CG 4.48Å; V398-M434 HydrophobicContact CG1-SD 3.66Å; V398-M434 HydrophobicContact CG2-CG 4.43Å; V398-M434 HydrophobicContact CG2-SD 4.29Å; V398-I437 HydrophobicContact CG1-CG2 4.11Å
399	K	95.9	Very high	93.1	Very high	50 Å²	50	55.8 Å²	55.8	22%	0.217	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.1	174.2	-69.3	174.7	179.8	177	0	108.5	I408 R435 E445 V447	K399-I408 HydrophobicContact CB-CG2 4.02Å; K399-I408 HydrophobicContact CG-CG2 4.48Å; K399-R435 HydrophobicContact CB-CB 4.33Å; K399-R435 VanDerWaalsContact O-CB 3.28Å; K399-R435 WeakPolarHBondContact O-CB 3.21Å; K399-R435 PolarHBondContact O-N 2.93Å; K399-E445 PolarHBondContact NZ-O 2.93Å; K399-V447 HydrophobicContact CB-CG2 4.45Å; K399-V447 HydrophobicContact CD-CG1 4.25Å; K399-V447 HydrophobicContact CD-CG2 4.04Å; K399-V447 HydrophobicContact CG-CG1 4.23Å; K399-V447 HydrophobicContact CG-CG2 4.06Å
400	M	94.5	Very high	93	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.039	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.5	173	59.6	168.6	-76.6	0	0	111	E409 T411 F416 P433	M400-E409 HydrophobicContact CG-CB 4.15Å; M400-E409 WeakPolarHBondContact CG-O 3.44Å; M400-E409 PolarHBondContact N-O 3.05Å; M400-E409 PolarHBondContact O-N 3Å; M400-T411 HydrophobicContact CG-CG2 4.2Å; M400-T411 HydrophobicContact SD-CG2 4.07Å; M400-F416 HydrophobicContact CB-CD2 4.12Å; M400-F416 HydrophobicContact CB-CE2 4.35Å; M400-F416 HydrophobicContact SD-CD2 4.11Å; M400-P433 CarbonylContact C-O 3.45Å; M400-P433 WeakPolarHBondContact CA-O 3.39Å
401	E	93.8	Very high	93	Very high	39 Å²	39	61.1 Å²	61.1	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	144.1	169.5	-53	-160.2	140.3	0	0	110	L403 G432 P433 R435	E401-L403 PolarHBondContact O-N 2.8Å; E401-G432 VanDerWaalsContact O-CA 3.25Å; E401-G432 WeakPolarHBondContact O-CA 3.33Å; E401-P433 HydrophobicContact CB-CG 4.12Å; E401-P433 HydrophobicContact CG-CG 4.27Å; E401-P433 PolarHBondContact N-O 3.18Å; E401-R435 HydrophobicContact CG-CG 4.16Å; E401-R435 IonicContact OE1-CZ 3.66Å; E401-R435 VanDerWaalsContact OE1-CZ 3.25Å; E401-R435 IonicContact OE1-NE 2.64Å; E401-R435 PolarHBondContact OE1-NE 3.22Å; E401-R435 IonicContact OE1-NH2 2.77Å; E401-R435 PolarHBondContact OE1-NH2 3.17Å
402	I	90.2	Very high	93	Very high	26 Å²	26	56.8 Å²	56.8	13%	0.133	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-76.7	120.1	175	-59.2	-175.4	0	0	0	108.7	G404 K405 D407 E409 P505	I402-G404 PolarHBondContact O-N 2.88Å; I402-K405 WeakPolarHBondContact O-CA 3.45Å; I402-K405 PolarHBondContact O-N 2.84Å; I402-K405 VanDerWaalsContact O-O 3.1Å; I402-D407 HydrophobicContact CB-CB 4.23Å; I402-D407 HydrophobicContact CD1-CB 3.79Å; I402-D407 HydrophobicContact CG1-CB 4.14Å; I402-D407 PolarHBondContact N-O 3Å; I402-E409 HydrophobicContact CG1-CB 4.19Å; I402-P505 HydrophobicContact CG2-CB 4.23Å; I402-P505 HydrophobicContact CG2-CG 3.37Å
403	L	87.9	Confident	93	Very high	9 Å²	9	52.4 Å²	52.4	5%	0.047	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40.2	125.1	-173.1	-174.6	61.4	0	0	0	113.4	E401 K405 R430 V499 F535	E401-L403 PolarHBondContact O-N 2.8Å; L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 2.93Å; L403-R430 HydrophobicContact CD2-CB 4.42Å; L403-V499 HydrophobicContact CD1-CG2 4.44Å; L403-V499 HydrophobicContact CD2-CG1 3.8Å; L403-V499 HydrophobicContact CD2-CG2 4.31Å; L403-V499 HydrophobicContact CG-CG1 4.47Å; L403-F535 HydrophobicContact CD1-CD2 3.75Å; L403-F535 HydrophobicContact CD1-CE2 3.9Å; L403-F535 HydrophobicContact CD1-CG 4.16Å; L403-F535 HydrophobicContact CD1-CZ 4.42Å
404	G	81.1	Confident	93.1	Very high	36 Å²	36	51.6 Å²	51.6	37%	0.371	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	15.1	-179.7	0	0	0	0	0	115.8	I402	I402-G404 PolarHBondContact O-N 2.88Å
405	K	84.7	Confident	93.1	Very high	51 Å²	51	52.9 Å²	52.9	22%	0.222	29%	0.285	C	S	.	.	S	Bend	trans	-138.9	164.9	173.5	-71.6	-169	-97.4	63.5	0	111.6	I402 L403 D407 P505	I402-K405 WeakPolarHBondContact O-CA 3.45Å; I402-K405 PolarHBondContact O-N 2.84Å; I402-K405 VanDerWaalsContact O-O 3.1Å; L403-K405 VanDerWaalsContact C-N 3.27Å; L403-K405 PolarHBondContact O-N 2.93Å; K405-D407 VanDerWaalsContact C-N 3.33Å; K405-D407 HydrophobicContact CB-CB 4.46Å; K405-D407 WeakPolarHBondContact CD-OD2 3.25Å; K405-D407 IonicContact NZ-OD2 3.51Å; K405-P505 WeakPolarHBondContact CE-O 3.45Å; K405-P505 PolarHBondContact NZ-O 3.14Å
406	K	83.3	Confident	93.1	Very high	193 Å²	193	46.5 Å²	46.5	84%	0.839	25%	0.251	S	S	*	.	S	Bend	trans	-93.6	11.9	171.7	-57.9	-165	174.8	-160.4	0	113.3
407	D	89.3	Confident	93.2	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.214	25%	0.252	C	S	.	.			trans	-70.8	131	169.8	-64.5	-38.2	0	0	0	107.1	I402 K405 S507	I402-D407 HydrophobicContact CB-CB 4.23Å; I402-D407 HydrophobicContact CD1-CB 3.79Å; I402-D407 HydrophobicContact CG1-CB 4.14Å; I402-D407 PolarHBondContact N-O 3Å; K405-D407 VanDerWaalsContact C-N 3.33Å; K405-D407 HydrophobicContact CB-CB 4.46Å; K405-D407 WeakPolarHBondContact CD-OD2 3.25Å; K405-D407 IonicContact NZ-OD2 3.51Å; D407-S507 PolarHBondContact OD2-OG 3.12Å
408	I	92.3	Very high	93.2	Very high	83 Å²	83	46.8 Å²	46.8	43%	0.426	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139	-179.7	-54.4	167.3	0	0	0	109	K399 R435	K399-I408 HydrophobicContact CB-CG2 4.02Å; K399-I408 HydrophobicContact CG-CG2 4.48Å; I408-R435 VanDerWaalsContact CD1-CZ 3.45Å
409	E	92.8	Very high	93.2	Very high	87 Å²	87	49.3 Å²	49.3	41%	0.407	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.9	174.9	-173.1	169.4	157.1	0	0	109.7	M400 I402	M400-E409 HydrophobicContact CG-CB 4.15Å; M400-E409 WeakPolarHBondContact CG-O 3.44Å; M400-E409 PolarHBondContact N-O 3.05Å; M400-E409 PolarHBondContact O-N 3Å; I402-E409 HydrophobicContact CG1-CB 4.19Å
410	T	95.4	Very high	93.2	Very high	93 Å²	93	47 Å²	47	57%	0.571	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.1	173.4	-53	0	0	0	0	109	V398	V398-T410 WeakPolarHBondContact O-CA 3.39Å
411	T	96.1	Very high	93.3	Very high	24 Å²	24	49.3 Å²	49.3	15%	0.147	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	-175	179.6	-161.1	0	0	0	0	110.4	P397 V398 M400 N415 F416	P397-T411 WeakPolarHBondContact CA-O 3.47Å; V398-T411 HydrophobicContact CG2-CG2 3.79Å; V398-T411 PolarHBondContact N-O 3.08Å; V398-T411 PolarHBondContact O-N 3.01Å; M400-T411 HydrophobicContact CG-CG2 4.2Å; M400-T411 HydrophobicContact SD-CG2 4.07Å; T411-N415 PolarHBondContact OG1-ND2 3.17Å; T411-F416 HydrophobicContact CG2-CB 4.15Å
412	T	97.7	Very high	93.3	Very high	49 Å²	49	57.4 Å²	57.4	30%	0.301	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	152.5	172.2	66.2	0	0	0	0	111.1	P394 T396 S414 N415 F416	P394-T412 WeakPolarHBondContact O-CB 3.11Å; P394-T412 PolarHBondContact O-OG1 2.92Å; T396-T412 CarbonylContact O-C 3.58Å; T396-T412 WeakPolarHBondContact O-CA 3.24Å; T412-S414 PolarHBondContact O-N 3.39Å; T412-N415 PolarHBondContact O-N 2.77Å; T412-N415 PolarHBondContact OG1-N 2.71Å; T412-F416 PolarHBondContact O-N 3.35Å
413	I	97.8	Very high	93.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-33.9	-179.4	-170	146.5	0	0	0	112.9	L386 F389 F393 T396 V398 F416 H417 M434 M490	L386-I413 HydrophobicContact CD1-CG1 4.29Å; F389-I413 HydrophobicContact CB-CD1 3.58Å; F389-I413 HydrophobicContact CB-CG1 4.37Å; F393-I413 WeakPolarHBondContact O-CG2 3.39Å; T396-I413 PolarHBondContact O-N 2.81Å; V398-I413 HydrophobicContact CG1-CB 3.76Å; V398-I413 HydrophobicContact CG1-CD1 4.13Å; V398-I413 HydrophobicContact CG1-CG1 4.29Å; I413-F416 PolarHBondContact O-N 3.47Å; I413-H417 VanDerWaalsContact O-CB 3.24Å; I413-H417 WeakPolarHBondContact O-CB 3.45Å; I413-H417 PolarHBondContact O-N 2.89Å; I413-M434 HydrophobicContact CD1-SD 4.33Å; I413-M490 HydrophobicContact CD1-CE 4.02Å
414	S	97.9	Very high	93.9	Very high	43 Å²	43	57.8 Å²	57.8	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-65.7	-37.1	173.7	-178.7	0	0	0	0	113.3	P394 T412 S418	P394-S414 VanDerWaalsContact O-CB 3.23Å; P394-S414 WeakPolarHBondContact O-CB 3.36Å; P394-S414 PolarHBondContact O-N 3.43Å; T412-S414 PolarHBondContact O-N 3.39Å; S414-S418 WeakPolarHBondContact O-CB 3.43Å; S414-S418 PolarHBondContact O-N 3.08Å; S414-S418 PolarHBondContact O-OG 3.23Å
415	N	97.9	Very high	94.5	Very high	70 Å²	70	59.1 Å²	59.1	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-76.5	-29.5	174.5	-178	68.5	0	0	0	112.5	T411 T412 Q419	T411-N415 PolarHBondContact OG1-ND2 3.17Å; T412-N415 PolarHBondContact O-N 2.77Å; T412-N415 PolarHBondContact OG1-N 2.71Å; N415-Q419 PolarHBondContact ND2-NE2 3.47Å; N415-Q419 WeakPolarHBondContact O-CG 3.13Å; N415-Q419 PolarHBondContact O-N 3.18Å; N415-Q419 PolarHBondContact O-NE2 2.94Å
416	F	97.7	Very high	94.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-51.7	169.6	174.4	-106.5	0	0	0	111	L386 V398 M400 T411 T412 I413 S418 Q419 V420 Y429 M434 V492	L386-F416 HydrophobicContact CD1-CD1 3.72Å; L386-F416 HydrophobicContact CD1-CE1 3.86Å; L386-F416 HydrophobicContact CD2-CE1 4.26Å; V398-F416 HydrophobicContact CG2-CB 3.96Å; M400-F416 HydrophobicContact CB-CD2 4.12Å; M400-F416 HydrophobicContact CB-CE2 4.35Å; M400-F416 HydrophobicContact SD-CD2 4.11Å; T411-F416 HydrophobicContact CG2-CB 4.15Å; T412-F416 PolarHBondContact O-N 3.35Å; I413-F416 PolarHBondContact O-N 3.47Å; F416-S418 VanDerWaalsContact C-N 3.3Å; F416-S418 PolarHBondContact O-N 2.75Å; F416-Q419 WeakPolarHBondContact O-CA 3.31Å; F416-Q419 WeakPolarHBondContact O-CB 3.49Å; F416-Q419 PolarHBondContact O-N 3.48Å; F416-V420 HydrophobicContact CD1-CG2 4.22Å; F416-V420 HydrophobicContact CD2-CG2 4.32Å; F416-V420 HydrophobicContact CE1-CG2 3.67Å; F416-V420 HydrophobicContact CE2-CG2 3.8Å; F416-V420 HydrophobicContact CZ-CG2 3.43Å; F416-V420 VanDerWaalsContact CZ-CG2 3.43Å; F416-V420 WeakPolarHBondContact O-CG2 3.2Å; F416-V420 PolarHBondContact O-N 3.03Å; F416-Y429 HydrophobicContact CZ-CE2 4.4Å; F416-M434 HydrophobicContact CD1-CB 4.37Å; F416-M434 HydrophobicContact CD1-CG 4.36Å; F416-M434 HydrophobicContact CD1-SD 3.93Å; F416-M434 HydrophobicContact CE1-CB 3.82Å; F416-M434 HydrophobicContact CE1-CG 4.29Å; F416-M434 HydrophobicContact CE1-SD 4.08Å; F416-M434 HydrophobicContact CE2-CB 4.17Å; F416-M434 HydrophobicContact CZ-CB 3.71Å; F416-V492 HydrophobicContact CE1-CB 4Å; F416-V492 HydrophobicContact CE1-CG1 4.25Å; F416-V492 HydrophobicContact CE1-CG2 4.18Å; F416-V492 HydrophobicContact CZ-CB 4.22Å; F416-V492 HydrophobicContact CZ-CG1 4.39Å
417	H	97.7	Very high	95.3	Very high	20 Å²	20	51.5 Å²	51.5	9%	0.093	28%	0.283	C	S	.	.	H	α-helix	trans	-49.2	-48.3	172.4	172.9	-76.9	0	0	0	112.1	L386 D387 A390 I413 Q419 V420 S421 F566	L386-H417 HydrophobicContact CD1-CB 4.01Å; L386-H417 HydrophobicContact CG-CB 4.36Å; D387-H417 IonicContact OD1-CD2 2.73Å; D387-H417 IonicContact OD1-CE1 2.75Å; D387-H417 IonicContact OD1-NE2 3.4Å; D387-H417 PolarHBondContact OD1-NE2 3.01Å; A390-H417 HydrophobicContact CB-CB 3.55Å; A390-H417 WeakPolarHBondContact CB-CD2 3.48Å; A390-H417 VanDerWaalsContact CB-CG 3.5Å; I413-H417 VanDerWaalsContact O-CB 3.24Å; I413-H417 WeakPolarHBondContact O-CB 3.45Å; I413-H417 PolarHBondContact O-N 2.89Å; H417-Q419 VanDerWaalsContact C-N 3.3Å; H417-Q419 PolarHBondContact O-N 3.05Å; H417-V420 PolarHBondContact O-N 3.13Å; H417-S421 WeakPolarHBondContact O-CB 3.31Å; H417-S421 PolarHBondContact O-N 3.37Å; H417-F566 AromaticContact CD2-CE1 3.99Å; H417-F566 AromaticContact CD2-CZ 3.81Å; H417-F566 AromaticContact CE1-CE1 3.57Å; H417-F566 AromaticContact NE2-CE1 3.52Å; H417-F566 AromaticContact NE2-CZ 3.81Å
418	S	97.1	Very high	95.6	Very high	61 Å²	61	51.5 Å²	51.5	43%	0.427	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-35.5	176.3	-62.9	0	0	0	0	113.7	S414 F416 R422	S414-S418 WeakPolarHBondContact O-CB 3.43Å; S414-S418 PolarHBondContact O-N 3.08Å; S414-S418 PolarHBondContact O-OG 3.23Å; F416-S418 VanDerWaalsContact C-N 3.3Å; F416-S418 PolarHBondContact O-N 2.75Å; S418-R422 WeakPolarHBondContact O-CB 3.44Å; S418-R422 PolarHBondContact O-N 3.32Å
419	Q	95.1	Very high	95.8	Very high	54 Å²	54	47.6 Å²	47.6	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-74.5	-38.8	175.7	-73	175.9	85.7	0	0	112.6	N415 F416 H417 T423 A431	N415-Q419 PolarHBondContact ND2-NE2 3.47Å; N415-Q419 WeakPolarHBondContact O-CG 3.13Å; N415-Q419 PolarHBondContact O-N 3.18Å; N415-Q419 PolarHBondContact O-NE2 2.94Å; F416-Q419 WeakPolarHBondContact O-CA 3.31Å; F416-Q419 WeakPolarHBondContact O-CB 3.49Å; F416-Q419 PolarHBondContact O-N 3.48Å; H417-Q419 VanDerWaalsContact C-N 3.3Å; H417-Q419 PolarHBondContact O-N 3.05Å; Q419-T423 WeakPolarHBondContact O-CG2 3.38Å; Q419-T423 PolarHBondContact O-N 3.12Å; Q419-T423 PolarHBondContact O-OG1 3.01Å; Q419-A431 HydrophobicContact CB-CB 4.36Å
420	V	96.5	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-55.8	172.9	178.8	0	0	0	0	109.2	L386 F416 H417 R422 T423 Y424 Y429 V564 F566	L386-V420 HydrophobicContact CD2-CB 4.13Å; L386-V420 HydrophobicContact CD2-CG1 4.01Å; L386-V420 HydrophobicContact CD2-CG2 4.09Å; F416-V420 HydrophobicContact CD1-CG2 4.22Å; F416-V420 HydrophobicContact CD2-CG2 4.32Å; F416-V420 HydrophobicContact CE1-CG2 3.67Å; F416-V420 HydrophobicContact CE2-CG2 3.8Å; F416-V420 HydrophobicContact CZ-CG2 3.43Å; F416-V420 VanDerWaalsContact CZ-CG2 3.43Å; F416-V420 WeakPolarHBondContact O-CG2 3.2Å; F416-V420 PolarHBondContact O-N 3.03Å; H417-V420 PolarHBondContact O-N 3.13Å; V420-R422 VanDerWaalsContact C-N 3.32Å; V420-R422 PolarHBondContact O-N 3.31Å; V420-T423 CarbonylContact O-C 3.51Å; V420-T423 PolarHBondContact O-N 3.47Å; V420-T423 PolarHBondContact O-OG1 3.09Å; V420-Y424 WeakPolarHBondContact O-CB 3.11Å; V420-Y424 PolarHBondContact O-N 3.21Å; V420-Y429 HydrophobicContact CB-CD2 4.38Å; V420-Y429 HydrophobicContact CB-CG 4.39Å; V420-Y429 HydrophobicContact CG1-CD1 3.53Å; V420-Y429 HydrophobicContact CG1-CD2 4.09Å; V420-Y429 HydrophobicContact CG1-CE1 3.93Å; V420-Y429 HydrophobicContact CG1-CE2 4.48Å; V420-Y429 HydrophobicContact CG1-CG 3.64Å; V420-Y429 HydrophobicContact CG2-CD1 4.48Å; V420-Y429 HydrophobicContact CG2-CD2 3.96Å; V420-Y429 HydrophobicContact CG2-CE1 4.28Å; V420-Y429 HydrophobicContact CG2-CE2 3.78Å; V420-Y429 HydrophobicContact CG2-CG 4.35Å; V420-V564 HydrophobicContact CG1-CG1 4.09Å; V420-F566 HydrophobicContact CB-CE2 4.02Å; V420-F566 HydrophobicContact CB-CZ 4.27Å; V420-F566 HydrophobicContact CG1-CD2 4.13Å; V420-F566 HydrophobicContact CG1-CE2 3.39Å; V420-F566 HydrophobicContact CG1-CZ 4.13Å
421	S	96.1	Very high	95.7	Very high	58 Å²	58	44.5 Å²	44.5	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-47.7	-49.9	177.6	-172.7	0	0	0	0	112.8	H417 T423 F566	H417-S421 WeakPolarHBondContact O-CB 3.31Å; H417-S421 PolarHBondContact O-N 3.37Å; S421-T423 PolarHBondContact O-N 3.1Å; S421-T423 VanDerWaalsContact O-N 3.16Å; S421-F566 WeakPolarHBondContact OG-CD1 3.26Å
422	R	95.1	Very high	95.6	Very high	208 Å²	208	43.4 Å²	43.4	79%	0.785	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.3	-178.4	-155.1	-160.8	71.4	-171.2	-2.6	114.4	S418 V420	S418-R422 WeakPolarHBondContact O-CB 3.44Å; S418-R422 PolarHBondContact O-N 3.32Å; V420-R422 VanDerWaalsContact C-N 3.32Å; V420-R422 PolarHBondContact O-N 3.31Å
423	T	94.5	Very high	95.6	Very high	21 Å²	21	41.1 Å²	41.1	13%	0.129	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-1.9	-176.2	64.6	0	0	0	0	114.2	Q419 V420 S421 Y429 R430 A431	Q419-T423 WeakPolarHBondContact O-CG2 3.38Å; Q419-T423 PolarHBondContact O-N 3.12Å; Q419-T423 PolarHBondContact O-OG1 3.01Å; V420-T423 CarbonylContact O-C 3.51Å; V420-T423 PolarHBondContact O-N 3.47Å; V420-T423 PolarHBondContact O-OG1 3.09Å; S421-T423 PolarHBondContact O-N 3.1Å; S421-T423 VanDerWaalsContact O-N 3.16Å; T423-Y429 WeakPolarHBondContact O-CA 3.34Å; T423-R430 PolarHBondContact O-N 3.31Å; T423-R430 PolarHBondContact OG1-N 3.28Å; T423-A431 PolarHBondContact OG1-N 2.69Å
424	Y	95.6	Very high	95.6	Very high	22 Å²	22	41.2 Å²	41.2	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.8	174.8	-177.1	-87.2	0	0	0	111.3	V420 G427 T428 V564 H565 F566 E568 A651	V420-Y424 WeakPolarHBondContact O-CB 3.11Å; V420-Y424 PolarHBondContact O-N 3.21Å; Y424-G427 WeakPolarHBondContact OH-CA 3.38Å; Y424-G427 PolarHBondContact OH-N 2.88Å; Y424-T428 CarbonylContact C-O 3.6Å; Y424-T428 VanDerWaalsContact CA-O 3.3Å; Y424-T428 WeakPolarHBondContact CA-O 3.22Å; Y424-V564 HydrophobicContact CD2-CG1 3.87Å; Y424-V564 HydrophobicContact CE2-CB 4.18Å; Y424-V564 HydrophobicContact CE2-CG1 3.85Å; Y424-V564 WeakPolarHBondContact CE2-O 3.46Å; Y424-V564 PolarHBondContact OH-O 3.44Å; Y424-H565 WeakPolarHBondContact CE1-O 3.5Å; Y424-F566 HydrophobicContact CD1-CB 4.18Å; Y424-F566 HydrophobicContact CD2-CD2 4.22Å; Y424-F566 HydrophobicContact CG-CB 4.38Å; Y424-F566 HydrophobicContact CG-CD2 4.15Å; Y424-E568 HydrophobicContact CE1-CB 3.99Å; Y424-E568 HydrophobicContact CE1-CG 4Å; Y424-A651 HydrophobicContact CE2-CB 4.4Å
425	C	93.3	Very high	95.5	Very high	64 Å²	64	44.2 Å²	44.2	43%	0.432	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	129.2	170.7	-173	0	0	0	0	109.4	G427 T428	C425-G427 PolarHBondContact O-N 3.13Å; C425-G427 VanDerWaalsContact O-N 3.08Å; C425-T428 PolarHBondContact N-O 3.2Å; C425-T428 PolarHBondContact O-N 3.03Å; C425-T428 VanDerWaalsContact O-N 3.07Å; C425-T428 PolarHBondContact O-OG1 2.69Å
426	S	92	Very high	95.3	Very high	85 Å²	85	45 Å²	45	59%	0.594	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	27.6	168.8	-51.2	0	0	0	0	115.9	E568 R574	S426-E568 WeakPolarHBondContact CA-OE2 3.5Å; S426-E568 PolarHBondContact N-OE2 3.05Å; S426-R574 PolarHBondContact O-NH1 2.85Å
427	G	93.1	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	8.2	-178.6	0	0	0	0	0	116	Y424 C425 S650 A651	Y424-G427 WeakPolarHBondContact OH-CA 3.38Å; Y424-G427 PolarHBondContact OH-N 2.88Å; C425-G427 PolarHBondContact O-N 3.13Å; C425-G427 VanDerWaalsContact O-N 3.08Å; G427-S650 CarbonylContact O-C 3.52Å; G427-S650 WeakPolarHBondContact O-CA 3.04Å; G427-S650 VanDerWaalsContact O-CB 3.3Å; G427-S650 WeakPolarHBondContact O-CB 3.28Å; G427-S650 PolarHBondContact O-OG 2.85Å; G427-A651 WeakPolarHBondContact O-CB 3.27Å; G427-A651 PolarHBondContact O-N 3.48Å
428	T	96.1	Very high	95.2	Very high	40 Å²	40	44.3 Å²	44.3	25%	0.245	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.4	171.6	58.1	0	0	0	0	110.5	Y424 C425 P494	Y424-T428 CarbonylContact C-O 3.6Å; Y424-T428 VanDerWaalsContact CA-O 3.3Å; Y424-T428 WeakPolarHBondContact CA-O 3.22Å; C425-T428 PolarHBondContact N-O 3.2Å; C425-T428 PolarHBondContact O-N 3.03Å; C425-T428 VanDerWaalsContact O-N 3.07Å; C425-T428 PolarHBondContact O-OG1 2.69Å; T428-P494 WeakPolarHBondContact CA-O 3.33Å
429	Y	95.8	Very high	95.2	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.1	173.3	65.8	-98.1	0	0	0	112.9	F416 V420 T423 A431 V492 R493 P494 Q497 A651	F416-Y429 HydrophobicContact CZ-CE2 4.4Å; V420-Y429 HydrophobicContact CB-CD2 4.38Å; V420-Y429 HydrophobicContact CB-CG 4.39Å; V420-Y429 HydrophobicContact CG1-CD1 3.53Å; V420-Y429 HydrophobicContact CG1-CD2 4.09Å; V420-Y429 HydrophobicContact CG1-CE1 3.93Å; V420-Y429 HydrophobicContact CG1-CE2 4.48Å; V420-Y429 HydrophobicContact CG1-CG 3.64Å; V420-Y429 HydrophobicContact CG2-CD1 4.48Å; V420-Y429 HydrophobicContact CG2-CD2 3.96Å; V420-Y429 HydrophobicContact CG2-CE1 4.28Å; V420-Y429 HydrophobicContact CG2-CE2 3.78Å; V420-Y429 HydrophobicContact CG2-CG 4.35Å; T423-Y429 WeakPolarHBondContact O-CA 3.34Å; Y429-A431 HydrophobicContact CD2-CB 3.82Å; Y429-A431 HydrophobicContact CE2-CB 4.02Å; Y429-A431 WeakPolarHBondContact CE2-O 3.39Å; Y429-V492 HydrophobicContact CE1-CG1 4.18Å; Y429-R493 WeakPolarHBondContact CE1-O 3.41Å; Y429-P494 HydrophobicContact CD1-CB 4.15Å; Y429-P494 HydrophobicContact CD2-CB 3.9Å; Y429-P494 VanDerWaalsContact CE1-CA 3.41Å; Y429-P494 HydrophobicContact CE1-CB 3.97Å; Y429-P494 HydrophobicContact CE2-CB 3.67Å; Y429-P494 HydrophobicContact CG-CB 4.1Å; Y429-P494 WeakPolarHBondContact O-CB 3.46Å; Y429-Q497 PolarHBondContact O-NE2 3Å; Y429-Q497 PolarHBondContact O-OE1 2.94Å; Y429-A651 HydrophobicContact CD1-CB 3.55Å; Y429-A651 HydrophobicContact CE1-CB 3.84Å
430	R	94.5	Very high	95.2	Very high	106 Å²	106	39 Å²	39	40%	0.4	19%	0.192	S	C	.	.	S	Bend	trans	-104.9	47.2	-178.6	-71.7	176.7	-69.3	153.6	-2.1	113	L403 T423 D503	L403-R430 HydrophobicContact CD2-CB 4.42Å; T423-R430 PolarHBondContact O-N 3.31Å; T423-R430 PolarHBondContact OG1-N 3.28Å; R430-D503 IonicContact CZ-OD2 3.41Å; R430-D503 IonicContact NH1-OD1 2.74Å; R430-D503 IonicContact NH1-OD2 3.55Å; R430-D503 PolarHBondContact NH1-OD2 3.41Å
431	A	93.3	Very high	94.8	Very high	8 Å²	8	40.1 Å²	40.1	7%	0.066	20%	0.204	C	C	.	.	S	Bend	trans	-120.2	164.8	159.8	0	0	0	0	0	107.8	Q419 T423 Y429	Q419-A431 HydrophobicContact CB-CB 4.36Å; T423-A431 PolarHBondContact OG1-N 2.69Å; Y429-A431 HydrophobicContact CD2-CB 3.82Å; Y429-A431 HydrophobicContact CE2-CB 4.02Å; Y429-A431 WeakPolarHBondContact CE2-O 3.39Å
432	G	94	Very high	94	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.01	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-79.3	163.9	178.5	0	0	0	0	0	112.6	E401	E401-G432 VanDerWaalsContact O-CA 3.25Å; E401-G432 WeakPolarHBondContact O-CA 3.33Å
433	P	96.7	Very high	93.1	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.013	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-65	147.8	-177.1	26.4	-35	0	0	0	112.6	M400 E401 V492 F535	M400-P433 CarbonylContact C-O 3.45Å; M400-P433 WeakPolarHBondContact CA-O 3.39Å; E401-P433 HydrophobicContact CB-CG 4.12Å; E401-P433 HydrophobicContact CG-CG 4.27Å; E401-P433 PolarHBondContact N-O 3.18Å; P433-V492 WeakPolarHBondContact CA-O 3.34Å; P433-F535 HydrophobicContact CG-CZ 4.35Å
434	M	97.3	Very high	92.3	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.8	163.9	-157.5	-176.3	83.5	0	0	109	V398 I413 F416 I437 M490 V492	V398-M434 HydrophobicContact CB-CG 3.99Å; V398-M434 HydrophobicContact CB-SD 3.81Å; V398-M434 HydrophobicContact CG1-CE 4.49Å; V398-M434 HydrophobicContact CG1-CG 4.48Å; V398-M434 HydrophobicContact CG1-SD 3.66Å; V398-M434 HydrophobicContact CG2-CG 4.43Å; V398-M434 HydrophobicContact CG2-SD 4.29Å; I413-M434 HydrophobicContact CD1-SD 4.33Å; F416-M434 HydrophobicContact CD1-CB 4.37Å; F416-M434 HydrophobicContact CD1-CG 4.36Å; F416-M434 HydrophobicContact CD1-SD 3.93Å; F416-M434 HydrophobicContact CE1-CB 3.82Å; F416-M434 HydrophobicContact CE1-CG 4.29Å; F416-M434 HydrophobicContact CE1-SD 4.08Å; F416-M434 HydrophobicContact CE2-CB 4.17Å; F416-M434 HydrophobicContact CZ-CB 3.71Å; M434-I437 HydrophobicContact CE-CG1 4.42Å; M434-I437 HydrophobicContact CE-CG2 4.26Å; M434-M490 HydrophobicContact CE-CE 3.93Å; M434-V492 HydrophobicContact CB-CB 3.95Å; M434-V492 HydrophobicContact CB-CG2 4.31Å; M434-V492 HydrophobicContact CE-CG2 4.08Å; M434-V492 PolarHBondContact N-O 2.82Å; M434-V492 HydrophobicContact SD-CG2 4.3Å
435	R	95.6	Very high	91.5	Very high	106 Å²	106	48.1 Å²	48.1	40%	0.4	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	170.2	168.3	-65.1	-179.2	159	-139.7	-4.5	110.3	K399 E401 I408	K399-R435 HydrophobicContact CB-CB 4.33Å; K399-R435 VanDerWaalsContact O-CB 3.28Å; K399-R435 WeakPolarHBondContact O-CB 3.21Å; K399-R435 PolarHBondContact O-N 2.93Å; E401-R435 HydrophobicContact CG-CG 4.16Å; E401-R435 IonicContact OE1-CZ 3.66Å; E401-R435 VanDerWaalsContact OE1-CZ 3.25Å; E401-R435 IonicContact OE1-NE 2.64Å; E401-R435 PolarHBondContact OE1-NE 3.22Å; E401-R435 IonicContact OE1-NH2 2.77Å; E401-R435 PolarHBondContact OE1-NH2 3.17Å; I408-R435 VanDerWaalsContact CD1-CZ 3.45Å
436	Q	95.2	Very high	91	Very high	87 Å²	87	48.7 Å²	48.7	41%	0.407	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	141.9	179	75.5	-161.6	46.4	0	0	112.4	E446 I489 M490 W491	Q436-E446 PolarHBondContact NE2-OE1 3.3Å; Q436-I489 HydrophobicContact CB-CB 4.33Å; Q436-I489 HydrophobicContact CB-CD1 4.13Å; Q436-I489 HydrophobicContact CG-CD1 4.5Å; Q436-M490 CarbonylContact C-O 3.47Å; Q436-M490 VanDerWaalsContact CA-O 3.3Å; Q436-M490 WeakPolarHBondContact CA-O 3.17Å; Q436-W491 HydrophobicContact CB-CB 4.42Å
437	I	96.3	Very high	91	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.6	157.3	66.7	171.7	0	0	0	109.2	T396 V398 M434 L439 V447 I489 M490	T396-I437 HydrophobicContact CG2-CD1 4.49Å; V398-I437 HydrophobicContact CG1-CG2 4.11Å; M434-I437 HydrophobicContact CE-CG1 4.42Å; M434-I437 HydrophobicContact CE-CG2 4.26Å; I437-L439 HydrophobicContact CD1-CD2 4.04Å; I437-L439 HydrophobicContact CG1-CD2 4.1Å; I437-V447 CarbonylContact C-O 3.42Å; I437-V447 WeakPolarHBondContact CA-O 3.36Å; I437-V447 WeakPolarHBondContact CB-O 3.17Å; I437-V447 HydrophobicContact CG2-CB 4.31Å; I437-V447 HydrophobicContact CG2-CG2 3.94Å; I437-I489 CarbonylContact O-C 3.56Å; I437-I489 VanDerWaalsContact O-CA 3.23Å; I437-I489 WeakPolarHBondContact O-CA 3.36Å; I437-M490 HydrophobicContact CD1-CE 3.82Å; I437-M490 HydrophobicContact CG1-CB 4.04Å; I437-M490 HydrophobicContact CG1-CE 4.24Å; I437-M490 PolarHBondContact N-O 2.83Å; I437-M490 PolarHBondContact O-N 3.09Å
438	S	96.8	Very high	90.9	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.028	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	143.1	166.1	173.5	0	0	0	0	110.4	V440 G441 V447 G448 D449	S438-V440 VanDerWaalsContact OG-CG2 3.31Å; S438-V440 WeakPolarHBondContact OG-CG2 3.45Å; S438-V440 PolarHBondContact OG-N 3.26Å; S438-G441 VanDerWaalsContact CB-O 3.22Å; S438-G441 WeakPolarHBondContact CB-O 3.35Å; S438-G441 PolarHBondContact OG-N 3.13Å; S438-G441 VanDerWaalsContact OG-N 3.12Å; S438-G441 PolarHBondContact OG-O 3.48Å; S438-V447 PolarHBondContact N-O 3.08Å; S438-G448 VanDerWaalsContact O-CA 3.3Å; S438-G448 WeakPolarHBondContact O-CA 3.34Å; S438-D449 PolarHBondContact O-N 2.87Å
439	L	96.8	Very high	90.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-103.8	-6.6	171.7	-55.6	-173	0	0	0	113.7	F389 I437 D449 F451 F454 L455 P488 M490 L655	F389-L439 HydrophobicContact CE1-CD2 4.17Å; F389-L439 HydrophobicContact CE2-CD2 4.25Å; F389-L439 HydrophobicContact CZ-CD1 4.24Å; F389-L439 HydrophobicContact CZ-CD2 3.71Å; I437-L439 HydrophobicContact CD1-CD2 4.04Å; I437-L439 HydrophobicContact CG1-CD2 4.1Å; L439-D449 CarbonylContact C-O 3.6Å; L439-F451 HydrophobicContact CB-CD2 4.16Å; L439-F451 HydrophobicContact CD2-CD2 3.67Å; L439-F451 HydrophobicContact CD2-CE2 3.79Å; L439-F451 PolarHBondContact O-N 3.12Å; L439-F451 VanDerWaalsContact O-N 3.13Å; L439-F454 HydrophobicContact CD1-CD1 3.72Å; L439-F454 HydrophobicContact CD1-CE1 3.57Å; L439-L455 HydrophobicContact CB-CD2 4.39Å; L439-P488 HydrophobicContact CD1-CB 4.48Å; L439-P488 PolarHBondContact N-O 3.13Å; L439-M490 HydrophobicContact CD1-CB 4.25Å; L439-M490 HydrophobicContact CD2-CB 4.1Å; L439-M490 HydrophobicContact CG-CB 4.27Å; L439-L655 HydrophobicContact CD1-CD2 3.55Å
440	V	94.6	Very high	90.8	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.024	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-99.4	-17	178.3	-72.2	0	0	0	0	112.7	S438 Y450 L455 W470 R481 S482 S484 G487	S438-V440 VanDerWaalsContact OG-CG2 3.31Å; S438-V440 WeakPolarHBondContact OG-CG2 3.45Å; S438-V440 PolarHBondContact OG-N 3.26Å; V440-Y450 WeakPolarHBondContact O-CD2 3.1Å; V440-L455 HydrophobicContact CG1-CD1 4.09Å; V440-W470 HydrophobicContact CG1-CH2 3.76Å; V440-W470 HydrophobicContact CG1-CZ3 3.8Å; V440-R481 WeakPolarHBondContact CG1-O 3.44Å; V440-S482 WeakPolarHBondContact O-CA 3.37Å; V440-S482 WeakPolarHBondContact O-CB 3.41Å; V440-S484 WeakPolarHBondContact CG2-O 3.43Å; V440-G487 WeakPolarHBondContact CG1-O 3.49Å
441	G	88.1	Confident	90.9	Very high	23 Å²	23	47.4 Å²	47.4	24%	0.237	25%	0.251	C	S	.	.			trans	137.8	144.5	-177.8	0	0	0	0	0	111.1	S438 D449	S438-G441 VanDerWaalsContact CB-O 3.22Å; S438-G441 WeakPolarHBondContact CB-O 3.35Å; S438-G441 PolarHBondContact OG-N 3.13Å; S438-G441 VanDerWaalsContact OG-N 3.12Å; S438-G441 PolarHBondContact OG-O 3.48Å; G441-D449 PolarHBondContact N-O 2.8Å
442	A	80.1	Confident	91.1	Very high	54 Å²	54	48.5 Å²	48.5	45%	0.446	26%	0.258	S	S	.	.			trans	-87.8	136	-179.1	0	0	0	0	0	112.1	E446	A442-E446 HydrophobicContact CB-CB 4.5Å
443	V	75.6	Confident	91.2	Very high	86 Å²	86	53.6 Å²	53.6	52%	0.521	28%	0.281	S	S	.	.			trans	-118.5	138.7	175	-176.9	0	0	0	0	109.8	E445 E446	V443-E445 PolarHBondContact O-N 3.42Å; V443-E446 WeakPolarHBondContact O-CB 3.34Å; V443-E446 PolarHBondContact O-N 2.94Å
444	D	78.1	Confident	91.3	Very high	171 Å²	171	53.5 Å²	53.5	91%	0.914	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	-103.3	178.2	-67.8	-31	0	0	0	115.8
445	E	77.7	Confident	91.3	Very high	167 Å²	167	53.4 Å²	53.4	78%	0.78	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.9	-179.8	-77.7	-159	-157.6	0	0	113.7	K399 V443	K399-E445 PolarHBondContact NZ-O 2.93Å; V443-E445 PolarHBondContact O-N 3.42Å
446	E	84.5	Confident	91.4	Very high	76 Å²	76	52 Å²	52	36%	0.355	28%	0.281	S	S	.	.			trans	-68.5	169.9	175.3	-64.5	-135.4	121.5	0	0	112.2	Q436 A442 V443	Q436-E446 PolarHBondContact NE2-OE1 3.3Å; A442-E446 HydrophobicContact CB-CB 4.5Å; V443-E446 WeakPolarHBondContact O-CB 3.34Å; V443-E446 PolarHBondContact O-N 2.94Å
447	V	90.4	Very high	91.6	Very high	18 Å²	18	49.9 Å²	49.9	11%	0.109	27%	0.271	C	S	.	.			trans	-131.7	156.1	174.9	-85.8	0	0	0	0	108.1	K399 I437 S438	K399-V447 HydrophobicContact CB-CG2 4.45Å; K399-V447 HydrophobicContact CD-CG1 4.25Å; K399-V447 HydrophobicContact CD-CG2 4.04Å; K399-V447 HydrophobicContact CG-CG1 4.23Å; K399-V447 HydrophobicContact CG-CG2 4.06Å; I437-V447 CarbonylContact C-O 3.42Å; I437-V447 WeakPolarHBondContact CA-O 3.36Å; I437-V447 WeakPolarHBondContact CB-O 3.17Å; I437-V447 HydrophobicContact CG2-CB 4.31Å; I437-V447 HydrophobicContact CG2-CG2 3.94Å; S438-V447 PolarHBondContact N-O 3.08Å
448	G	91.8	Very high	91.7	Very high	13 Å²	13	49.9 Å²	49.9	13%	0.134	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	130.4	-170	-170.4	0	0	0	0	0	111.5	S438	S438-G448 VanDerWaalsContact O-CA 3.3Å; S438-G448 WeakPolarHBondContact O-CA 3.34Å
449	D	94	Very high	91.7	Very high	96 Å²	96	51.7 Å²	51.7	51%	0.513	28%	0.279	S	S	.	.			trans	-157.4	-179.4	178.3	-147.9	-27.4	0	0	0	108.8	S438 L439 G441 F451	S438-D449 PolarHBondContact O-N 2.87Å; L439-D449 CarbonylContact C-O 3.6Å; G441-D449 PolarHBondContact N-O 2.8Å; D449-F451 HydrophobicContact CB-CE1 3.82Å; D449-F451 HydrophobicContact CB-CE2 3.87Å; D449-F451 HydrophobicContact CB-CZ 3.45Å; D449-F451 VanDerWaalsContact CB-CZ 3.45Å; D449-F451 WeakPolarHBondContact O-CD2 3.45Å; D449-F451 WeakPolarHBondContact O-CE2 3.38Å
450	Y	95.8	Very high	91.7	Very high	74 Å²	74	58.1 Å²	58.1	29%	0.29	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-90.7	114.7	169.7	-179.8	-126.5	0	0	0	110.2	V440 P452 L455 R481	V440-Y450 WeakPolarHBondContact O-CD2 3.1Å; Y450-P452 VanDerWaalsContact C-CD 3.49Å; Y450-P452 HydrophobicContact CD1-CG 4.24Å; Y450-P452 HydrophobicContact CE1-CB 3.9Å; Y450-P452 HydrophobicContact CE1-CG 3.95Å; Y450-P452 WeakPolarHBondContact O-CD 3.32Å; Y450-L455 HydrophobicContact CD2-CD1 4.22Å; Y450-L455 HydrophobicContact CE2-CD1 3.72Å; Y450-R481 HydrophobicContact CE2-CB 4.05Å; Y450-R481 PolarHBondContact OH-NE 2.98Å
451	F	96.8	Very high	91.8	Very high	3 Å²	3	58.2 Å²	58.2	1%	0.013	31%	0.31	C	S	.	.			trans	-114	72.8	-177.1	-52.3	-79.5	0	0	0	111.8	F389 F393 T396 L439 D449 E453 F454 L455	F389-F451 HydrophobicContact CD1-CD1 4.37Å; F389-F451 HydrophobicContact CD1-CE1 4.26Å; F389-F451 HydrophobicContact CD1-CZ 4.36Å; F389-F451 HydrophobicContact CE1-CB 4.16Å; F389-F451 AromaticContact CE1-CD1 3.82Å; F389-F451 HydrophobicContact CE1-CD1 3.82Å; F389-F451 AromaticContact CE1-CD2 3.76Å; F389-F451 HydrophobicContact CE1-CD2 3.76Å; F389-F451 HydrophobicContact CE1-CE1 4.08Å; F389-F451 HydrophobicContact CE1-CE2 4.03Å; F389-F451 AromaticContact CE1-CG 3.65Å; F389-F451 HydrophobicContact CE1-CG 3.65Å; F389-F451 HydrophobicContact CE1-CZ 4.18Å; F389-F451 HydrophobicContact CZ-CD2 4.35Å; F389-F451 HydrophobicContact CZ-CG 4.42Å; F393-F451 HydrophobicContact CB-CE1 4.11Å; F393-F451 AromaticContact CD1-CD1 3.84Å; F393-F451 HydrophobicContact CD1-CD1 3.84Å; F393-F451 AromaticContact CD1-CE1 3.71Å; F393-F451 HydrophobicContact CD1-CE1 3.71Å; F393-F451 AromaticContact CD2-CD1 3.93Å; F393-F451 HydrophobicContact CD2-CD1 3.93Å; F393-F451 HydrophobicContact CD2-CE1 4.04Å; F393-F451 AromaticContact CE1-CD1 3.75Å; F393-F451 HydrophobicContact CE1-CD1 3.75Å; F393-F451 HydrophobicContact CE1-CE1 4.12Å; F393-F451 AromaticContact CE2-CD1 3.85Å; F393-F451 HydrophobicContact CE2-CD1 3.85Å; F393-F451 HydrophobicContact CE2-CE1 4.42Å; F393-F451 AromaticContact CG-CD1 3.93Å; F393-F451 HydrophobicContact CG-CD1 3.93Å; F393-F451 AromaticContact CG-CE1 3.68Å; F393-F451 HydrophobicContact CG-CE1 3.68Å; F393-F451 AromaticContact CZ-CD1 3.76Å; F393-F451 HydrophobicContact CZ-CD1 3.76Å; F393-F451 HydrophobicContact CZ-CE1 4.45Å; T396-F451 HydrophobicContact CG2-CZ 4.1Å; L439-F451 HydrophobicContact CB-CD2 4.16Å; L439-F451 HydrophobicContact CD2-CD2 3.67Å; L439-F451 HydrophobicContact CD2-CE2 3.79Å; L439-F451 PolarHBondContact O-N 3.12Å; L439-F451 VanDerWaalsContact O-N 3.13Å; D449-F451 HydrophobicContact CB-CE1 3.82Å; D449-F451 HydrophobicContact CB-CE2 3.87Å; D449-F451 HydrophobicContact CB-CZ 3.45Å; D449-F451 VanDerWaalsContact CB-CZ 3.45Å; D449-F451 WeakPolarHBondContact O-CD2 3.45Å; D449-F451 WeakPolarHBondContact O-CE2 3.38Å; F451-E453 VanDerWaalsContact C-N 3.32Å; F451-E453 PolarHBondContact O-N 3.14Å; F451-F454 HydrophobicContact CB-CB 4.15Å; F451-F454 PolarHBondContact O-N 2.91Å; F451-F454 VanDerWaalsContact O-N 3.08Å; F451-L455 PolarHBondContact O-N 2.72Å; F451-L455 VanDerWaalsContact O-N 3.13Å
452	P	96.5	Very high	92.3	Very high	31 Å²	31	58.3 Å²	58.3	20%	0.201	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-39.2	-170.8	21.5	-30.9	0	0	0	113.4	Y450 F454 L455 D456 R481	Y450-P452 VanDerWaalsContact C-CD 3.49Å; Y450-P452 HydrophobicContact CD1-CG 4.24Å; Y450-P452 HydrophobicContact CE1-CB 3.9Å; Y450-P452 HydrophobicContact CE1-CG 3.95Å; Y450-P452 WeakPolarHBondContact O-CD 3.32Å; P452-F454 PolarHBondContact O-N 3.12Å; P452-L455 PolarHBondContact O-N 2.65Å; P452-L455 VanDerWaalsContact O-N 3.13Å; P452-D456 PolarHBondContact O-N 2.8Å; P452-R481 PolarHBondContact O-NH2 2.96Å
453	E	97.3	Very high	93.1	Very high	109 Å²	109	56.1 Å²	56.1	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-28.7	-179.2	-55.6	78.4	-173.3	0	0	112.3	F451 M457	F451-E453 VanDerWaalsContact C-N 3.32Å; F451-E453 PolarHBondContact O-N 3.14Å; E453-M457 PolarHBondContact O-N 3.19Å
454	F	97.9	Very high	94.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-79.3	-36.3	174.1	-173.1	-91.5	0	0	0	111.8	F385 Y388 F389 L439 F451 P452 D456 M457 L458 L655	F385-F454 AromaticContact CD1-CE2 3.87Å; F385-F454 HydrophobicContact CD1-CE2 3.87Å; F385-F454 AromaticContact CD1-CZ 3.59Å; F385-F454 HydrophobicContact CD1-CZ 3.59Å; F385-F454 HydrophobicContact CE1-CE2 4.19Å; F385-F454 AromaticContact CE1-CZ 3.69Å; F385-F454 HydrophobicContact CE1-CZ 3.69Å; F385-F454 HydrophobicContact CG-CZ 4.31Å; F385-F454 HydrophobicContact CZ-CZ 4.49Å; Y388-F454 AromaticContact CD1-CD2 3.63Å; Y388-F454 HydrophobicContact CD1-CD2 3.63Å; Y388-F454 HydrophobicContact CD1-CE2 4.02Å; Y388-F454 HydrophobicContact CE1-CB 4.07Å; Y388-F454 AromaticContact CE1-CD2 3.42Å; Y388-F454 HydrophobicContact CE1-CD2 3.42Å; Y388-F454 VanDerWaalsContact CE1-CD2 3.42Å; Y388-F454 HydrophobicContact CE1-CE2 4.27Å; Y388-F454 HydrophobicContact CE1-CG 4.12Å; Y388-F454 HydrophobicContact CG-CD2 4.37Å; Y388-F454 AromaticContact CZ-CD2 3.99Å; F389-F454 HydrophobicContact CE2-CD1 4.24Å; F389-F454 AromaticContact CE2-CD2 3.92Å; F389-F454 HydrophobicContact CE2-CD2 3.92Å; F389-F454 HydrophobicContact CE2-CE1 4.1Å; F389-F454 AromaticContact CE2-CE2 3.77Å; F389-F454 HydrophobicContact CE2-CE2 3.77Å; F389-F454 HydrophobicContact CE2-CG 4.14Å; F389-F454 AromaticContact CE2-CZ 3.86Å; F389-F454 HydrophobicContact CE2-CZ 3.86Å; F389-F454 HydrophobicContact CZ-CB 4.13Å; F389-F454 AromaticContact CZ-CD1 3.82Å; F389-F454 HydrophobicContact CZ-CD1 3.82Å; F389-F454 AromaticContact CZ-CD2 3.81Å; F389-F454 HydrophobicContact CZ-CD2 3.81Å; F389-F454 HydrophobicContact CZ-CE1 4.14Å; F389-F454 HydrophobicContact CZ-CE2 4.12Å; F389-F454 AromaticContact CZ-CG 3.63Å; F389-F454 HydrophobicContact CZ-CG 3.63Å; F389-F454 HydrophobicContact CZ-CZ 4.27Å; L439-F454 HydrophobicContact CD1-CD1 3.72Å; L439-F454 HydrophobicContact CD1-CE1 3.57Å; F451-F454 HydrophobicContact CB-CB 4.15Å; F451-F454 PolarHBondContact O-N 2.91Å; F451-F454 VanDerWaalsContact O-N 3.08Å; P452-F454 PolarHBondContact O-N 3.12Å; F454-D456 VanDerWaalsContact C-N 3.3Å; F454-M457 HydrophobicContact CB-CE 4.31Å; F454-M457 HydrophobicContact CD2-CE 3.56Å; F454-M457 HydrophobicContact CE2-CE 4.28Å; F454-M457 HydrophobicContact CG-CE 4.25Å; F454-M457 PolarHBondContact O-N 2.74Å; F454-L458 HydrophobicContact CD1-CD1 4.39Å; F454-L458 HydrophobicContact CD1-CG 4.44Å; F454-L458 HydrophobicContact CE1-CD1 4.17Å; F454-L458 HydrophobicContact CE1-CD2 4.24Å; F454-L458 HydrophobicContact CE1-CG 4.24Å; F454-L458 PolarHBondContact O-N 2.99Å; F454-L655 HydrophobicContact CE1-CD1 3.84Å; F454-L655 HydrophobicContact CE1-CD2 4.17Å; F454-L655 HydrophobicContact CZ-CD1 4Å
455	L	97.8	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-36.5	172.2	-61.5	177.3	0	0	0	111.4	L439 V440 Y450 F451 P452 M457 L458 E459 W470 R481 P488	L439-L455 HydrophobicContact CB-CD2 4.39Å; V440-L455 HydrophobicContact CG1-CD1 4.09Å; Y450-L455 HydrophobicContact CD2-CD1 4.22Å; Y450-L455 HydrophobicContact CE2-CD1 3.72Å; F451-L455 PolarHBondContact O-N 2.72Å; F451-L455 VanDerWaalsContact O-N 3.13Å; P452-L455 PolarHBondContact O-N 2.65Å; P452-L455 VanDerWaalsContact O-N 3.13Å; L455-M457 VanDerWaalsContact C-N 3.34Å; L455-M457 PolarHBondContact O-N 3.38Å; L455-L458 HydrophobicContact CD2-CD1 4.2Å; L455-L458 WeakPolarHBondContact O-CB 3.43Å; L455-L458 PolarHBondContact O-N 2.78Å; L455-L458 VanDerWaalsContact O-N 3.11Å; L455-E459 PolarHBondContact O-N 3.03Å; L455-W470 HydrophobicContact CB-CZ2 4.46Å; L455-W470 HydrophobicContact CD1-CH2 4.06Å; L455-W470 HydrophobicContact CD1-CZ2 4.22Å; L455-W470 HydrophobicContact CD2-CH2 4.07Å; L455-W470 HydrophobicContact CD2-CZ2 4.26Å; L455-R481 HydrophobicContact CD1-CB 4.32Å; L455-P488 HydrophobicContact CD2-CG 4.15Å
456	D	98.1	Very high	96.1	Very high	77 Å²	77	42.5 Å²	42.5	41%	0.412	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-41.1	174.8	-64.9	-22.7	0	0	0	111.6	P452 F454 L458 E459 E460 R481	P452-D456 PolarHBondContact O-N 2.8Å; F454-D456 VanDerWaalsContact C-N 3.3Å; D456-L458 PolarHBondContact O-N 3.05Å; D456-E459 PolarHBondContact O-N 2.91Å; D456-E459 VanDerWaalsContact O-N 3.13Å; D456-E460 PolarHBondContact O-N 3.38Å; D456-R481 IonicContact OD1-CZ 2.73Å; D456-R481 IonicContact OD1-NH1 3.3Å; D456-R481 PolarHBondContact OD1-NH1 2.62Å; D456-R481 IonicContact OD1-NH2 3.44Å; D456-R481 PolarHBondContact OD1-NH2 3.39Å; D456-R481 IonicContact OD2-NH2 2.77Å
457	M	98.1	Very high	96.8	Very high	42 Å²	42	38.9 Å²	38.9	21%	0.207	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-35.4	172.2	-69.9	-172.1	-70	0	0	112.9	Y381 L382 P383 Y388 E453 F454 L455 E459 E460	Y381-M457 WeakPolarHBondContact CE2-O 3.46Å; Y381-M457 PolarHBondContact OH-O 3.42Å; L382-M457 HydrophobicContact CD2-CB 3.86Å; P383-M457 HydrophobicContact CG-CE 4.41Å; Y388-M457 HydrophobicContact CD2-CE 4.35Å; Y388-M457 HydrophobicContact CE1-CE 4.41Å; Y388-M457 HydrophobicContact CE2-CE 3.67Å; E453-M457 PolarHBondContact O-N 3.19Å; F454-M457 HydrophobicContact CB-CE 4.31Å; F454-M457 HydrophobicContact CD2-CE 3.56Å; F454-M457 HydrophobicContact CE2-CE 4.28Å; F454-M457 HydrophobicContact CG-CE 4.25Å; F454-M457 PolarHBondContact O-N 2.74Å; L455-M457 VanDerWaalsContact C-N 3.34Å; L455-M457 PolarHBondContact O-N 3.38Å; M457-E459 VanDerWaalsContact C-N 3.26Å; M457-E459 PolarHBondContact O-N 3.3Å; M457-E460 PolarHBondContact O-N 3.13Å
458	L	97.9	Very high	97.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-34.1	172.7	-60.2	-179.8	0	0	0	111.3	L382 F454 L455 D456 E460 S461 L464 L468 P488 L655 W657	L382-L458 HydrophobicContact CD1-CD2 3.77Å; L382-L458 HydrophobicContact CD2-CD2 4.28Å; F454-L458 HydrophobicContact CD1-CD1 4.39Å; F454-L458 HydrophobicContact CD1-CG 4.44Å; F454-L458 HydrophobicContact CE1-CD1 4.17Å; F454-L458 HydrophobicContact CE1-CD2 4.24Å; F454-L458 HydrophobicContact CE1-CG 4.24Å; F454-L458 PolarHBondContact O-N 2.99Å; L455-L458 HydrophobicContact CD2-CD1 4.2Å; L455-L458 WeakPolarHBondContact O-CB 3.43Å; L455-L458 PolarHBondContact O-N 2.78Å; L455-L458 VanDerWaalsContact O-N 3.11Å; D456-L458 PolarHBondContact O-N 3.05Å; L458-E460 VanDerWaalsContact C-N 3.28Å; L458-E460 PolarHBondContact O-N 3.08Å; L458-S461 PolarHBondContact O-N 3.29Å; L458-L464 HydrophobicContact CD2-CD1 4.25Å; L458-L464 WeakPolarHBondContact O-CB 3.44Å; L458-L468 HydrophobicContact CB-CD1 4.3Å; L458-P488 HydrophobicContact CD1-CG 4.16Å; L458-L655 HydrophobicContact CD1-CD1 4.2Å; L458-L655 HydrophobicContact CD2-CD1 3.69Å; L458-W657 HydrophobicContact CD1-CZ3 4.3Å
459	E	97	Very high	97.4	Very high	41 Å²	41	37.5 Å²	37.5	19%	0.192	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.6	178.1	-71.3	-176.9	-141.8	0	0	115	L455 D456 M457 K465 L468 W470 R481	L455-E459 PolarHBondContact O-N 3.03Å; D456-E459 PolarHBondContact O-N 2.91Å; D456-E459 VanDerWaalsContact O-N 3.13Å; M457-E459 VanDerWaalsContact C-N 3.26Å; M457-E459 PolarHBondContact O-N 3.3Å; E459-K465 HydrophobicContact CB-CG 4.32Å; E459-K465 PolarHBondContact O-NZ 2.84Å; E459-L468 HydrophobicContact CG-CD1 3.53Å; E459-W470 PolarHBondContact OE1-NE1 3.29Å; E459-R481 WeakPolarHBondContact OE1-CD 3.39Å; E459-R481 IonicContact OE1-CZ 3.5Å; E459-R481 IonicContact OE1-NH1 3.53Å; E459-R481 PolarHBondContact OE1-NH1 2.81Å; E459-R481 IonicContact OE2-NH1 3.26Å
460	E	97.3	Very high	97.5	Very high	135 Å²	135	35.7 Å²	35.7	63%	0.631	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-31.8	169.9	-64.8	-172.8	141.9	0	0	112.4	Y381 D456 M457 L458	Y381-E460 HydrophobicContact CE2-CB 3.9Å; D456-E460 PolarHBondContact O-N 3.38Å; M457-E460 PolarHBondContact O-N 3.13Å; L458-E460 VanDerWaalsContact C-N 3.28Å; L458-E460 PolarHBondContact O-N 3.08Å
461	S	97.6	Very high	97.5	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.042	16%	0.16	C	C	.	.	S	Bend	trans	-74.8	123	176.4	171.9	0	0	0	0	110.4	Y381 L458 F463 L464 K465	Y381-S461 VanDerWaalsContact OH-CB 3.26Å; Y381-S461 WeakPolarHBondContact OH-CB 3.47Å; Y381-S461 PolarHBondContact OH-N 2.87Å; L458-S461 PolarHBondContact O-N 3.29Å; S461-F463 PolarHBondContact O-N 2.95Å; S461-L464 PolarHBondContact O-N 2.86Å; S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 PolarHBondContact O-N 3.21Å
462	P	97.3	Very high	97.4	Very high	26 Å²	26	36.4 Å²	36.4	17%	0.169	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-25.7	-178.6	25.7	-33.3	0	0	0	112	M348 A352 M466	M348-P462 HydrophobicContact CG-CG 3.72Å; A352-P462 HydrophobicContact CB-CB 4.1Å; A352-P462 HydrophobicContact CB-CG 4.39Å; P462-M466 WeakPolarHBondContact O-CG 3.47Å
463	F	98.3	Very high	97.5	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-70.3	-56.3	173.5	-48	-81.9	0	0	0	111	L340 M348 F351 A352 I375 S461 K465 M466 T467 F637	L340-F463 HydrophobicContact CD1-CZ 4.14Å; M348-F463 HydrophobicContact SD-CE2 4.28Å; M348-F463 HydrophobicContact SD-CZ 4.1Å; F351-F463 AromaticContact CD1-CE1 3.68Å; F351-F463 HydrophobicContact CD1-CE1 3.68Å; F351-F463 AromaticContact CD1-CZ 3.71Å; F351-F463 HydrophobicContact CD1-CZ 3.71Å; F351-F463 AromaticContact CE1-CE1 3.7Å; F351-F463 HydrophobicContact CE1-CE1 3.7Å; F351-F463 AromaticContact CE1-CZ 3.81Å; F351-F463 HydrophobicContact CE1-CZ 3.81Å; A352-F463 HydrophobicContact CB-CD1 3.58Å; A352-F463 HydrophobicContact CB-CE1 3.58Å; A352-F463 HydrophobicContact CB-CG 4.28Å; A352-F463 HydrophobicContact CB-CZ 4.27Å; I375-F463 HydrophobicContact CD1-CB 4.22Å; I375-F463 HydrophobicContact CD1-CD1 3.28Å; I375-F463 HydrophobicContact CD1-CD2 3.92Å; I375-F463 HydrophobicContact CD1-CE1 3.44Å; I375-F463 VanDerWaalsContact CD1-CE1 3.44Å; I375-F463 HydrophobicContact CD1-CE2 4.08Å; I375-F463 HydrophobicContact CD1-CG 3.54Å; I375-F463 HydrophobicContact CD1-CZ 3.85Å; S461-F463 PolarHBondContact O-N 2.95Å; F463-K465 PolarHBondContact O-N 2.88Å; F463-M466 PolarHBondContact O-N 2.79Å; F463-T467 PolarHBondContact O-N 2.73Å; F463-T467 PolarHBondContact O-OG1 2.75Å; F463-F637 HydrophobicContact CB-CZ 4.08Å
464	L	98.4	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-38.8	-175.9	-56.7	-177.9	0	0	0	111.9	L458 S461 M466 T467 L468 V558 V560 I635 W657	L458-L464 HydrophobicContact CD2-CD1 4.25Å; L458-L464 WeakPolarHBondContact O-CB 3.44Å; S461-L464 PolarHBondContact O-N 2.86Å; L464-M466 PolarHBondContact O-N 2.93Å; L464-T467 CarbonylContact O-C 3.56Å; L464-T467 PolarHBondContact O-N 3.22Å; L464-L468 WeakPolarHBondContact O-CG 3.39Å; L464-L468 PolarHBondContact O-N 2.82Å; L464-V558 HydrophobicContact CD2-CG1 4.1Å; L464-V560 HydrophobicContact CD1-CG2 3.96Å; L464-V560 HydrophobicContact CD2-CG2 3.95Å; L464-I635 HydrophobicContact CD1-CD1 4.08Å; L464-I635 HydrophobicContact CD2-CD1 4.02Å; L464-I635 HydrophobicContact CD2-CG1 4.48Å; L464-I635 HydrophobicContact CD2-CG2 3.65Å; L464-I635 HydrophobicContact CG-CD1 3.99Å; L464-W657 HydrophobicContact CB-CH2 4.4Å; L464-W657 HydrophobicContact CB-CZ2 4.3Å; L464-W657 HydrophobicContact CD1-CH2 4.27Å; L464-W657 HydrophobicContact CD2-CH2 3.8Å; L464-W657 HydrophobicContact CD2-CZ2 3.86Å; L464-W657 HydrophobicContact CG-CH2 4.37Å
465	K	97.7	Very high	97.2	Very high	108 Å²	108	34.1 Å²	34.1	47%	0.47	18%	0.175	S	C	.	.	H	α-helix	trans	-56.6	-35.6	174.7	-164.4	-166.9	-155.5	88.2	0	112.8	E459 S461 F463 G471	E459-K465 HydrophobicContact CB-CG 4.32Å; E459-K465 PolarHBondContact O-NZ 2.84Å; S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 PolarHBondContact O-N 3.21Å; F463-K465 PolarHBondContact O-N 2.88Å; K465-G471 VanDerWaalsContact O-CA 3.24Å; K465-G471 WeakPolarHBondContact O-CA 3.3Å
466	M	98	Very high	96.8	Very high	30 Å²	30	36 Å²	36	15%	0.148	19%	0.185	C	C	.	.	H	α-helix	trans	-76.5	-29.7	175.2	-73	-156.5	164.6	0	0	112.8	R353 L356 P462 F463 L464 G471 T472 L473	R353-M466 HydrophobicContact CG-CE 3.68Å; R353-M466 HydrophobicContact CG-SD 3.83Å; L356-M466 HydrophobicContact CD1-CB 3.78Å; L356-M466 HydrophobicContact CD1-SD 4.38Å; P462-M466 WeakPolarHBondContact O-CG 3.47Å; F463-M466 PolarHBondContact O-N 2.79Å; L464-M466 PolarHBondContact O-N 2.93Å; M466-G471 CarbonylContact O-C 3.56Å; M466-T472 WeakPolarHBondContact CG-OG1 3.34Å; M466-T472 PolarHBondContact O-N 3.4Å; M466-L473 HydrophobicContact CB-CD1 4.07Å; M466-L473 HydrophobicContact CB-CG 4.15Å; M466-L473 WeakPolarHBondContact O-CB 3.34Å; M466-L473 PolarHBondContact O-N 3.18Å; M466-L473 VanDerWaalsContact O-N 3.07Å
467	T	98.2	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-109.1	0.2	-170.3	65.6	0	0	0	0	116.7	L356 F360 F463 L464 L473 F637 W657 I659	L356-T467 HydrophobicContact CD1-CG2 3.73Å; L356-T467 HydrophobicContact CD2-CG2 3.75Å; L356-T467 HydrophobicContact CG-CG2 4.37Å; F360-T467 HydrophobicContact CE2-CG2 4.09Å; F463-T467 PolarHBondContact O-N 2.73Å; F463-T467 PolarHBondContact O-OG1 2.75Å; L464-T467 CarbonylContact O-C 3.56Å; L464-T467 PolarHBondContact O-N 3.22Å; T467-L473 HydrophobicContact CG2-CD1 4.21Å; T467-F637 HydrophobicContact CG2-CD1 4.29Å; T467-F637 HydrophobicContact CG2-CE1 3.88Å; T467-W657 PolarHBondContact O-NE1 2.95Å; T467-I659 HydrophobicContact CG2-CD1 4.31Å; T467-I659 WeakPolarHBondContact O-CD1 3.47Å
468	L	97.8	Very high	96	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.201	C	C	.	.	S	Bend	trans	-61.2	161.5	168.7	-82.6	161.4	0	0	0	111.2	L458 E459 L464 W470 G471 P488 W657	L458-L468 HydrophobicContact CB-CD1 4.3Å; E459-L468 HydrophobicContact CG-CD1 3.53Å; L464-L468 WeakPolarHBondContact O-CG 3.39Å; L464-L468 PolarHBondContact O-N 2.82Å; L468-W470 HydrophobicContact CB-CD2 4.41Å; L468-W470 HydrophobicContact CB-CZ2 4.43Å; L468-W470 HydrophobicContact CD1-CZ2 4.15Å; L468-W470 HydrophobicContact CD2-CH2 4.22Å; L468-W470 HydrophobicContact CD2-CZ2 3.98Å; L468-W470 HydrophobicContact CG-CZ2 4.42Å; L468-W470 PolarHBondContact O-N 3.2Å; L468-W470 VanDerWaalsContact O-N 3.13Å; L468-G471 WeakPolarHBondContact O-CA 3.12Å; L468-G471 PolarHBondContact O-N 3.16Å; L468-P488 HydrophobicContact CD2-CG 3.63Å; L468-W657 HydrophobicContact CD2-CD2 4.1Å; L468-W657 HydrophobicContact CD2-CE3 4.43Å; L468-W657 HydrophobicContact CD2-CH2 4.07Å; L468-W657 HydrophobicContact CD2-CZ2 3.72Å; L468-W657 HydrophobicContact CD2-CZ3 4.43Å; L468-W657 HydrophobicContact CG-CZ2 3.96Å
469	P	96.8	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.5	-179.1	-26.4	36.4	0	0	0	114.4	S474 L476 S484 D486 W657	P469-S474 WeakPolarHBondContact O-CB 3.27Å; P469-S474 PolarHBondContact O-OG 3.34Å; P469-L476 HydrophobicContact CB-CD2 4.25Å; P469-S484 WeakPolarHBondContact CB-OG 3.33Å; P469-D486 HydrophobicContact CB-CB 4.07Å; P469-D486 HydrophobicContact CG-CB 3.96Å; P469-W657 HydrophobicContact CG-CB 4.22Å; P469-W657 HydrophobicContact CG-CG 4.37Å
470	W	96.4	Very high	95.2	Very high	59 Å²	59	48.3 Å²	48.3	22%	0.223	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	4.8	171.1	51.8	91.4	0	0	0	113.7	V440 L455 E459 L468 L478 R481 P488	V440-W470 HydrophobicContact CG1-CH2 3.76Å; V440-W470 HydrophobicContact CG1-CZ3 3.8Å; L455-W470 HydrophobicContact CB-CZ2 4.46Å; L455-W470 HydrophobicContact CD1-CH2 4.06Å; L455-W470 HydrophobicContact CD1-CZ2 4.22Å; L455-W470 HydrophobicContact CD2-CH2 4.07Å; L455-W470 HydrophobicContact CD2-CZ2 4.26Å; E459-W470 PolarHBondContact OE1-NE1 3.29Å; L468-W470 HydrophobicContact CB-CD2 4.41Å; L468-W470 HydrophobicContact CB-CZ2 4.43Å; L468-W470 HydrophobicContact CD1-CZ2 4.15Å; L468-W470 HydrophobicContact CD2-CH2 4.22Å; L468-W470 HydrophobicContact CD2-CZ2 3.98Å; L468-W470 HydrophobicContact CG-CZ2 4.42Å; L468-W470 PolarHBondContact O-N 3.2Å; L468-W470 VanDerWaalsContact O-N 3.13Å; W470-L478 HydrophobicContact CE3-CD1 4.32Å; W470-R481 HydrophobicContact CD2-CB 4.21Å; W470-R481 HydrophobicContact CD2-CG 3.81Å; W470-R481 VanDerWaalsContact CE2-CD 3.42Å; W470-R481 HydrophobicContact CE3-CB 4.16Å; W470-R481 HydrophobicContact CE3-CG 4.27Å; W470-R481 HydrophobicContact CG-CG 4.16Å; W470-R481 HydrophobicContact CH2-CB 4.1Å; W470-R481 HydrophobicContact CH2-CG 4.44Å; W470-R481 HydrophobicContact CZ2-CB 4.15Å; W470-R481 HydrophobicContact CZ2-CG 4Å; W470-R481 HydrophobicContact CZ3-CB 4.11Å; W470-P488 HydrophobicContact CH2-CG 4.46Å
471	G	96.1	Very high	95	Very high	9 Å²	9	44 Å²	44	9%	0.093	23%	0.226	C	C	.	.	S	Bend	trans	-70.6	165.3	-178.4	0	0	0	0	0	113.9	K465 M466 L468 L473 S474	K465-G471 VanDerWaalsContact O-CA 3.24Å; K465-G471 WeakPolarHBondContact O-CA 3.3Å; M466-G471 CarbonylContact O-C 3.56Å; L468-G471 WeakPolarHBondContact O-CA 3.12Å; L468-G471 PolarHBondContact O-N 3.16Å; G471-L473 PolarHBondContact O-N 3.23Å; G471-L473 VanDerWaalsContact O-N 3.08Å; G471-S474 WeakPolarHBondContact O-CB 3.47Å; G471-S474 PolarHBondContact O-N 2.81Å
472	T	96	Very high	94.8	Very high	83 Å²	83	46.3 Å²	46.3	51%	0.509	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.1	-169.7	54	0	0	0	0	115	M466 K662	M466-T472 WeakPolarHBondContact CG-OG1 3.34Å; M466-T472 PolarHBondContact O-N 3.4Å; T472-K662 WeakPolarHBondContact O-CE 3.35Å; T472-K662 PolarHBondContact O-NZ 2.92Å
473	L	96.6	Very high	94.5	Very high	53 Å²	53	49.7 Å²	49.7	28%	0.277	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.7	176.6	-57.2	176.8	0	0	0	113.5	L356 M466 T467 G471 I659 L661 K662	L356-L473 HydrophobicContact CB-CD1 4.14Å; L356-L473 HydrophobicContact CD1-CD1 3.97Å; M466-L473 HydrophobicContact CB-CD1 4.07Å; M466-L473 HydrophobicContact CB-CG 4.15Å; M466-L473 WeakPolarHBondContact O-CB 3.34Å; M466-L473 PolarHBondContact O-N 3.18Å; M466-L473 VanDerWaalsContact O-N 3.07Å; T467-L473 HydrophobicContact CG2-CD1 4.21Å; G471-L473 PolarHBondContact O-N 3.23Å; G471-L473 VanDerWaalsContact O-N 3.08Å; L473-I659 HydrophobicContact CB-CD1 4.18Å; L473-L661 HydrophobicContact CB-CD2 3.68Å; L473-L661 HydrophobicContact CD1-CD2 4.44Å; L473-K662 WeakPolarHBondContact O-CG 3.42Å; L473-K662 PolarHBondContact O-N 3.45Å
474	S	95.5	Very high	94.1	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-78	135.3	-177.9	-174.2	0	0	0	0	113.3	P469 G471 L476 R660 K662	P469-S474 WeakPolarHBondContact O-CB 3.27Å; P469-S474 PolarHBondContact O-OG 3.34Å; G471-S474 WeakPolarHBondContact O-CB 3.47Å; G471-S474 PolarHBondContact O-N 2.81Å; S474-L476 VanDerWaalsContact C-N 3.32Å; S474-L476 WeakPolarHBondContact OG-CB 3.47Å; S474-L476 PolarHBondContact OG-N 2.94Å; S474-R660 CarbonylContact C-O 3.52Å; S474-R660 WeakPolarHBondContact CA-O 3.44Å; S474-K662 WeakPolarHBondContact O-CE 3.47Å
475	S	94	Very high	93.7	Very high	37 Å²	37	56.6 Å²	56.6	26%	0.259	29%	0.294	S	S	.	.			trans	-70.9	-31.2	171.5	65.2	0	0	0	0	111.4	K477 R660 H665	S475-K477 PolarHBondContact O-NZ 3.3Å; S475-R660 PolarHBondContact N-O 3.05Å; S475-R660 WeakPolarHBondContact OG-CB 3.46Å; S475-R660 PolarHBondContact OG-O 2.95Å; S475-R660 VanDerWaalsContact OG-O 3.08Å; S475-H665 PolarHBondContact OG-NE2 3.1Å
476	L	90.8	Very high	93.5	Very high	39 Å²	39	51.9 Å²	51.9	20%	0.204	27%	0.274	C	S	.	.			trans	-54	146.5	-177.1	-164.4	65.6	0	0	0	111.9	P469 S474 L478	P469-L476 HydrophobicContact CB-CD2 4.25Å; S474-L476 VanDerWaalsContact C-N 3.32Å; S474-L476 WeakPolarHBondContact OG-CB 3.47Å; S474-L476 PolarHBondContact OG-N 2.94Å; L476-L478 HydrophobicContact CD1-CD2 4.47Å; L476-L478 HydrophobicContact CD2-CD1 3.89Å; L476-L478 HydrophobicContact CD2-CD2 3.92Å; L476-L478 HydrophobicContact CD2-CG 3.9Å; L476-L478 HydrophobicContact CG-CD2 3.99Å; L476-L478 HydrophobicContact CG-CG 4.01Å
477	K	88.9	Confident	93.3	Very high	161 Å²	161	50.7 Å²	50.7	70%	0.7	27%	0.269	S	S	*	.			trans	-127.5	115.6	177.1	-61	-74.3	155.6	-84.1	0	106.7	S475	S475-K477 PolarHBondContact O-NZ 3.3Å
478	L	88.7	Confident	93.3	Very high	48 Å²	48	50.7 Å²	50.7	25%	0.251	27%	0.269	S	S	.	.			trans	-123.6	142	-180	-59.6	177.7	0	0	0	108.5	W470 L476 Q483	W470-L478 HydrophobicContact CE3-CD1 4.32Å; L476-L478 HydrophobicContact CD1-CD2 4.47Å; L476-L478 HydrophobicContact CD2-CD1 3.89Å; L476-L478 HydrophobicContact CD2-CD2 3.92Å; L476-L478 HydrophobicContact CD2-CG 3.9Å; L476-L478 HydrophobicContact CG-CD2 3.99Å; L476-L478 HydrophobicContact CG-CG 4.01Å; L478-Q483 HydrophobicContact CD2-CB 4.16Å
479	D	88.5	Confident	93.3	Very high	163 Å²	163	52.3 Å²	52.3	87%	0.872	28%	0.278	S	S	*	.	S	Bend	trans	-79.5	-27.4	170.9	-60.6	-42.4	0	0	0	110.8
480	C	90	Very high	93.3	Very high	46 Å²	46	52.3 Å²	52.3	31%	0.311	28%	0.278	S	S	.	.	S	Bend	trans	-142.5	147.2	176.4	-173.2	0	0	0	0	111.9	S482 Q483	C480-S482 PolarHBondContact O-N 3.31Å; C480-S482 VanDerWaalsContact O-N 3.14Å; C480-S482 PolarHBondContact SG-OG 2.99Å; C480-Q483 HydrophobicContact CB-CG 4.27Å; C480-Q483 WeakPolarHBondContact O-CB 3.25Å; C480-Q483 PolarHBondContact O-N 3.18Å; C480-Q483 VanDerWaalsContact O-N 3.12Å
481	R	94.3	Very high	93.4	Very high	45 Å²	45	52 Å²	52	17%	0.17	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-53	-33.4	172.3	-59.1	-168.7	-71.5	-159.4	1.9	112.4	V440 Y450 P452 L455 D456 E459 W470 Q483 S484	V440-R481 WeakPolarHBondContact CG1-O 3.44Å; Y450-R481 HydrophobicContact CE2-CB 4.05Å; Y450-R481 PolarHBondContact OH-NE 2.98Å; P452-R481 PolarHBondContact O-NH2 2.96Å; L455-R481 HydrophobicContact CD1-CB 4.32Å; D456-R481 IonicContact OD1-CZ 2.73Å; D456-R481 IonicContact OD1-NH1 3.3Å; D456-R481 PolarHBondContact OD1-NH1 2.62Å; D456-R481 IonicContact OD1-NH2 3.44Å; D456-R481 PolarHBondContact OD1-NH2 3.39Å; D456-R481 IonicContact OD2-NH2 2.77Å; E459-R481 WeakPolarHBondContact OE1-CD 3.39Å; E459-R481 IonicContact OE1-CZ 3.5Å; E459-R481 IonicContact OE1-NH1 3.53Å; E459-R481 PolarHBondContact OE1-NH1 2.81Å; E459-R481 IonicContact OE2-NH1 3.26Å; W470-R481 HydrophobicContact CD2-CB 4.21Å; W470-R481 HydrophobicContact CD2-CG 3.81Å; W470-R481 VanDerWaalsContact CE2-CD 3.42Å; W470-R481 HydrophobicContact CE3-CB 4.16Å; W470-R481 HydrophobicContact CE3-CG 4.27Å; W470-R481 HydrophobicContact CG-CG 4.16Å; W470-R481 HydrophobicContact CH2-CB 4.1Å; W470-R481 HydrophobicContact CH2-CG 4.44Å; W470-R481 HydrophobicContact CZ2-CB 4.15Å; W470-R481 HydrophobicContact CZ2-CG 4Å; W470-R481 HydrophobicContact CZ3-CB 4.11Å; R481-Q483 PolarHBondContact O-N 3.33Å; R481-Q483 VanDerWaalsContact O-N 3.11Å; R481-S484 PolarHBondContact O-N 3.39Å
482	S	92.8	Very high	93.5	Very high	55 Å²	55	51.5 Å²	51.5	39%	0.385	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-74.2	9.7	-179.8	74.8	0	0	0	0	115.6	V440 C480	V440-S482 WeakPolarHBondContact O-CA 3.37Å; V440-S482 WeakPolarHBondContact O-CB 3.41Å; C480-S482 PolarHBondContact O-N 3.31Å; C480-S482 VanDerWaalsContact O-N 3.14Å; C480-S482 PolarHBondContact SG-OG 2.99Å
483	Q	89.9	Confident	93.6	Very high	96 Å²	96	49.8 Å²	49.8	45%	0.449	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-111.9	11.6	177.4	-63.2	171.5	-37.7	0	0	112.2	L478 C480 R481	L478-Q483 HydrophobicContact CD2-CB 4.16Å; C480-Q483 HydrophobicContact CB-CG 4.27Å; C480-Q483 WeakPolarHBondContact O-CB 3.25Å; C480-Q483 PolarHBondContact O-N 3.18Å; C480-Q483 VanDerWaalsContact O-N 3.12Å; R481-Q483 PolarHBondContact O-N 3.33Å; R481-Q483 VanDerWaalsContact O-N 3.11Å
484	S	91.6	Very high	93.6	Very high	10 Å²	10	47.2 Å²	47.2	7%	0.07	24%	0.243	C	C	.	.			trans	-89.1	114.1	-176.9	-162.4	0	0	0	0	112.6	V440 P469 R481 D486	V440-S484 WeakPolarHBondContact CG2-O 3.43Å; P469-S484 WeakPolarHBondContact CB-OG 3.33Å; R481-S484 PolarHBondContact O-N 3.39Å; S484-D486 PolarHBondContact O-N 3.3Å; S484-D486 PolarHBondContact OG-N 2.97Å
485	D	90.3	Very high	93.7	Very high	144 Å²	144	47.1 Å²	47.1	77%	0.77	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-9.5	167.3	-56.2	-46.7	0	0	0	112.7
486	D	93.3	Very high	93.9	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.043	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.1	-175.5	-69.2	-22.3	0	0	0	113.2	P469 S484 V546 W657 H658 R660	P469-D486 HydrophobicContact CB-CB 4.07Å; P469-D486 HydrophobicContact CG-CB 3.96Å; S484-D486 PolarHBondContact O-N 3.3Å; S484-D486 PolarHBondContact OG-N 2.97Å; D486-V546 WeakPolarHBondContact OD1-CG1 3.45Å; D486-W657 CarbonylContact O-C 3.14Å; D486-W657 VanDerWaalsContact O-CA 3.22Å; D486-W657 WeakPolarHBondContact O-CA 3.48Å; D486-W657 WeakPolarHBondContact O-CB 3.36Å; D486-H658 HydrophobicContact CB-CB 4.08Å; D486-H658 PolarHBondContact O-N 3.4Å; D486-R660 IonicContact OD1-CZ 3.39Å; D486-R660 IonicContact OD1-NE 2.99Å; D486-R660 PolarHBondContact OD1-NE 3.3Å; D486-R660 IonicContact OD1-NH2 2.76Å; D486-R660 PolarHBondContact OD1-NH2 2.97Å; D486-R660 IonicContact OD2-CZ 2.7Å; D486-R660 IonicContact OD2-NE 3.98Å; D486-R660 PolarHBondContact OD2-NE 3.5Å; D486-R660 IonicContact OD2-NH2 2.89Å; D486-R660 PolarHBondContact OD2-NH2 3.45Å
487	G	93.6	Very high	94.1	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	23%	0.234	C	C	.	.			trans	105.3	-161.4	-177.2	0	0	0	0	0	113.6	V440	V440-G487 WeakPolarHBondContact CG1-O 3.49Å
488	P	97.3	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.			cis	-66.3	146.2	2.9	-25.9	37.1	0	0	0	116.8	L439 L455 L458 L468 W470 A656 W657	L439-P488 HydrophobicContact CD1-CB 4.48Å; L439-P488 PolarHBondContact N-O 3.13Å; L455-P488 HydrophobicContact CD2-CG 4.15Å; L458-P488 HydrophobicContact CD1-CG 4.16Å; L468-P488 HydrophobicContact CD2-CG 3.63Å; W470-P488 HydrophobicContact CH2-CG 4.46Å; P488-A656 WeakPolarHBondContact CA-O 3.24Å; P488-W657 HydrophobicContact CB-CD2 4.48Å; P488-W657 HydrophobicContact CB-CE3 3.73Å; P488-W657 HydrophobicContact CB-CZ3 4.29Å; P488-W657 HydrophobicContact CG-CB 4.43Å; P488-W657 HydrophobicContact CG-CD2 4.03Å; P488-W657 HydrophobicContact CG-CE3 3.61Å; P488-W657 HydrophobicContact CG-CG 4.42Å; P488-W657 HydrophobicContact CG-CZ3 4.1Å
489	I	97.1	Very high	94.6	Very high	36 Å²	36	41.4 Å²	41.4	19%	0.185	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	149.8	168.3	55.1	160.5	0	0	0	110.9	Q436 I437 W491 L655 A656	Q436-I489 HydrophobicContact CB-CB 4.33Å; Q436-I489 HydrophobicContact CB-CD1 4.13Å; Q436-I489 HydrophobicContact CG-CD1 4.5Å; I437-I489 CarbonylContact O-C 3.56Å; I437-I489 VanDerWaalsContact O-CA 3.23Å; I437-I489 WeakPolarHBondContact O-CA 3.36Å; I489-W491 HydrophobicContact CD1-CE3 4.21Å; I489-W491 HydrophobicContact CD1-CZ3 3.94Å; I489-W491 HydrophobicContact CG1-CE3 4.38Å; I489-W491 HydrophobicContact CG1-CZ3 4.05Å; I489-L655 VanDerWaalsContact O-CA 3.31Å; I489-L655 WeakPolarHBondContact O-CA 3.49Å; I489-A656 WeakPolarHBondContact CG1-O 3.42Å; I489-A656 PolarHBondContact N-O 3.33Å; I489-A656 PolarHBondContact O-N 3.33Å
490	M	98.1	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.4	179.2	-171.2	-174.5	79.5	0	0	112.3	F385 F389 I413 M434 Q436 I437 L439 S654 L655	F385-M490 HydrophobicContact CB-SD 3.69Å; F385-M490 HydrophobicContact CG-SD 4.43Å; F389-M490 HydrophobicContact CD2-CE 3.65Å; F389-M490 HydrophobicContact CD2-SD 3.49Å; F389-M490 WeakPolarHBondContact CD2-SD 3.43Å; F389-M490 HydrophobicContact CE2-CE 4.18Å; F389-M490 HydrophobicContact CE2-SD 3.54Å; F389-M490 VanDerWaalsContact CE2-SD 3.54Å; F389-M490 HydrophobicContact CG-CE 4.23Å; I413-M490 HydrophobicContact CD1-CE 4.02Å; M434-M490 HydrophobicContact CE-CE 3.93Å; Q436-M490 CarbonylContact C-O 3.47Å; Q436-M490 VanDerWaalsContact CA-O 3.3Å; Q436-M490 WeakPolarHBondContact CA-O 3.17Å; I437-M490 HydrophobicContact CD1-CE 3.82Å; I437-M490 HydrophobicContact CG1-CB 4.04Å; I437-M490 HydrophobicContact CG1-CE 4.24Å; I437-M490 PolarHBondContact N-O 2.83Å; I437-M490 PolarHBondContact O-N 3.09Å; L439-M490 HydrophobicContact CD1-CB 4.25Å; L439-M490 HydrophobicContact CD2-CB 4.1Å; L439-M490 HydrophobicContact CG-CB 4.27Å; M490-S654 WeakPolarHBondContact CA-O 3.46Å; M490-L655 HydrophobicContact CB-CD2 3.61Å; M490-L655 HydrophobicContact CG-CD2 3.71Å; M490-L655 HydrophobicContact SD-CD2 4.4Å
491	W	98.1	Very high	94.5	Very high	51 Å²	51	36.6 Å²	36.6	19%	0.193	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.6	172.4	68.8	98.1	0	0	0	112.8	Q436 I489 C653 S654 A656	Q436-W491 HydrophobicContact CB-CB 4.42Å; I489-W491 HydrophobicContact CD1-CE3 4.21Å; I489-W491 HydrophobicContact CD1-CZ3 3.94Å; I489-W491 HydrophobicContact CG1-CE3 4.38Å; I489-W491 HydrophobicContact CG1-CZ3 4.05Å; W491-C653 WeakPolarHBondContact O-CA 3.42Å; W491-S654 PolarHBondContact N-O 3.18Å; W491-S654 PolarHBondContact O-N 2.97Å; W491-A656 HydrophobicContact CH2-CB 3.59Å; W491-A656 HydrophobicContact CZ3-CB 3.7Å
492	V	98.3	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.1	-178.1	-168.1	0	0	0	0	111.1	L386 F416 Y429 P433 M434 V564 V652 C653	L386-V492 HydrophobicContact CD2-CG1 4.43Å; F416-V492 HydrophobicContact CE1-CB 4Å; F416-V492 HydrophobicContact CE1-CG1 4.25Å; F416-V492 HydrophobicContact CE1-CG2 4.18Å; F416-V492 HydrophobicContact CZ-CB 4.22Å; F416-V492 HydrophobicContact CZ-CG1 4.39Å; Y429-V492 HydrophobicContact CE1-CG1 4.18Å; P433-V492 WeakPolarHBondContact CA-O 3.34Å; M434-V492 HydrophobicContact CB-CB 3.95Å; M434-V492 HydrophobicContact CB-CG2 4.31Å; M434-V492 HydrophobicContact CE-CG2 4.08Å; M434-V492 PolarHBondContact N-O 2.82Å; M434-V492 HydrophobicContact SD-CG2 4.3Å; V492-V564 HydrophobicContact CG1-CG2 4.13Å; V492-V652 WeakPolarHBondContact CA-O 3.39Å; V492-C653 HydrophobicContact CG2-CB 4.37Å
493	R	98	Very high	93.6	Very high	46 Å²	46	39.5 Å²	39.5	17%	0.174	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144	-177.1	-59.2	-59.2	-64.5	-167.3	-7.8	111.4	Y429 D537 T648 A651 V652	Y429-R493 WeakPolarHBondContact CE1-O 3.41Å; R493-D537 IonicContact CZ-OD1 3.18Å; R493-D537 IonicContact NE-OD1 3.81Å; R493-D537 PolarHBondContact NE-OD1 2.88Å; R493-D537 IonicContact NE-OD2 2.95Å; R493-D537 IonicContact NH2-OD1 2.62Å; R493-D537 PolarHBondContact NH2-OD1 3.05Å; R493-T648 HydrophobicContact CB-CG2 3.75Å; R493-A651 WeakPolarHBondContact O-CA 3.47Å; R493-V652 HydrophobicContact CB-CG1 4.33Å; R493-V652 PolarHBondContact N-O 3.41Å; R493-V652 PolarHBondContact O-N 2.97Å; R493-V652 VanDerWaalsContact O-N 3.11Å
494	P	97.1	Very high	93.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.			trans	-81.4	-19.6	-179.5	30.9	-37.9	0	0	0	116.2	T428 Y429 F535 D537	T428-P494 WeakPolarHBondContact CA-O 3.33Å; Y429-P494 HydrophobicContact CD1-CB 4.15Å; Y429-P494 HydrophobicContact CD2-CB 3.9Å; Y429-P494 VanDerWaalsContact CE1-CA 3.41Å; Y429-P494 HydrophobicContact CE1-CB 3.97Å; Y429-P494 HydrophobicContact CE2-CB 3.67Å; Y429-P494 HydrophobicContact CG-CB 4.1Å; Y429-P494 WeakPolarHBondContact O-CB 3.46Å; P494-F535 HydrophobicContact CG-CD1 4.19Å; P494-F535 HydrophobicContact CG-CE1 3.5Å; P494-F535 HydrophobicContact CG-CZ 4.12Å; P494-D537 WeakPolarHBondContact CD-OD2 3.45Å; P494-D537 WeakPolarHBondContact CG-OD2 3.45Å
495	G	97.3	Very high	92.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.			trans	88.7	145.1	-171.7	0	0	0	0	0	113	Q497 D537	G495-Q497 PolarHBondContact O-N 3.3Å; G495-Q497 PolarHBondContact O-NE2 2.94Å; G495-Q497 VanDerWaalsContact O-NE2 3.13Å; G495-D537 PolarHBondContact N-OD2 2.82Å
496	E	97.1	Very high	91.4	Very high	42 Å²	42	41.7 Å²	41.7	20%	0.196	22%	0.223	C	C	.	.	S	Bend	trans	-66.2	124.7	179.6	178.6	174.8	109.8	0	0	111.3	L534 F535 D537 R538 K647 T648	E496-L534 HydrophobicContact CG-CD1 3.9Å; E496-F535 WeakPolarHBondContact CA-O 3.24Å; E496-F535 WeakPolarHBondContact CG-O 3.31Å; E496-D537 HydrophobicContact CB-CB 4.17Å; E496-R538 IonicContact OE1-NH2 2.7Å; E496-R538 IonicContact OE2-CZ 3.77Å; E496-R538 IonicContact OE2-NE 2.69Å; E496-R538 PolarHBondContact OE2-NE 2.73Å; E496-R538 IonicContact OE2-NH2 3.92Å; E496-R538 PolarHBondContact OE2-NH2 2.93Å; E496-K647 WeakPolarHBondContact OE1-CE 3.24Å; E496-K647 IonicContact OE1-NZ 3.98Å; E496-K647 PolarHBondContact OE1-NZ 2.93Å; E496-K647 WeakPolarHBondContact OE2-CE 3.46Å; E496-K647 IonicContact OE2-NZ 3.62Å; E496-T648 PolarHBondContact N-O 2.89Å
497	Q	96.2	Very high	89.6	Confident	22 Å²	22	43.3 Å²	43.3	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161.1	-168.7	65.1	-173.8	-94.1	0	0	112.5	Y429 G495 V499 F535	Y429-Q497 PolarHBondContact O-NE2 3Å; Y429-Q497 PolarHBondContact O-OE1 2.94Å; G495-Q497 PolarHBondContact O-N 3.3Å; G495-Q497 PolarHBondContact O-NE2 2.94Å; G495-Q497 VanDerWaalsContact O-NE2 3.13Å; Q497-V499 HydrophobicContact CG-CG2 3.83Å; Q497-F535 HydrophobicContact CG-CB 4.29Å; Q497-F535 PolarHBondContact N-O 3.44Å; Q497-F535 PolarHBondContact O-N 2.81Å
498	M	94.8	Very high	87.8	Confident	100 Å²	100	47.3 Å²	47.3	49%	0.493	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	111.8	168	-67.1	-59.1	-59	0	0	109.7	E532 L534	M498-E532 HydrophobicContact CB-CB 4.38Å; M498-E532 HydrophobicContact CE-CB 3.65Å; M498-L534 HydrophobicContact SD-CB 3.84Å; M498-L534 HydrophobicContact SD-CD1 3.93Å; M498-L534 HydrophobicContact SD-CG 4.49Å
499	V	92.8	Very high	85.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.9	-179.7	-177.9	0	0	0	0	110	L403 Q497 T501 D503 M504 E532 V533 F535	L403-V499 HydrophobicContact CD1-CG2 4.44Å; L403-V499 HydrophobicContact CD2-CG1 3.8Å; L403-V499 HydrophobicContact CD2-CG2 4.31Å; L403-V499 HydrophobicContact CG-CG1 4.47Å; Q497-V499 HydrophobicContact CG-CG2 3.83Å; V499-T501 PolarHBondContact O-N 3.38Å; V499-D503 HydrophobicContact CG1-CB 4.22Å; V499-M504 HydrophobicContact CB-SD 4.43Å; V499-M504 HydrophobicContact CG1-CG 3.98Å; V499-M504 HydrophobicContact CG1-SD 4.02Å; V499-E532 CarbonylContact O-C 3.52Å; V499-E532 VanDerWaalsContact O-CA 3.28Å; V499-E532 WeakPolarHBondContact O-CA 3.37Å; V499-V533 PolarHBondContact N-O 3.33Å; V499-V533 PolarHBondContact O-N 3.23Å; V499-F535 HydrophobicContact CG2-CB 3.69Å
500	P	90.8	Very high	83.8	Confident	39 Å²	39	62.6 Å²	62.6	25%	0.253	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	136.6	173.8	-26.6	35.7	0	0	0	112.8	A502 D503 M504 R531	P500-A502 PolarHBondContact O-N 3.39Å; P500-D503 WeakPolarHBondContact CD-OD2 3.37Å; P500-D503 WeakPolarHBondContact CG-OD2 3.49Å; P500-D503 PolarHBondContact O-N 2.77Å; P500-M504 PolarHBondContact O-N 3.13Å; P500-R531 WeakPolarHBondContact CA-O 3.38Å
501	T	86.5	Confident	81.7	Confident	70 Å²	70	73.8 Å²	73.8	43%	0.429	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.3	178.8	-49.9	0	0	0	0	113	V499 P530 R531 E532	V499-T501 PolarHBondContact O-N 3.38Å; T501-P530 PolarHBondContact OG1-O 3.46Å; T501-P530 VanDerWaalsContact OG1-O 3.05Å; T501-R531 PolarHBondContact N-O 3.26Å; T501-R531 PolarHBondContact OG1-O 3.35Å; T501-E532 PolarHBondContact OG1-N 2.78Å
502	A	84.4	Confident	79.4	Confident	95 Å²	95	83.1 Å²	83.1	79%	0.785	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-35.4	170.4	0	0	0	0	0	113.4	P500	P500-A502 PolarHBondContact O-N 3.39Å
503	D	83.6	Confident	77.4	Confident	66 Å²	66	94.4 Å²	94.4	35%	0.353	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-27.1	-179.7	-59.6	-25.8	0	0	0	111.2	R430 V499 P500 P505	R430-D503 IonicContact CZ-OD2 3.41Å; R430-D503 IonicContact NH1-OD1 2.74Å; R430-D503 IonicContact NH1-OD2 3.55Å; R430-D503 PolarHBondContact NH1-OD2 3.41Å; V499-D503 HydrophobicContact CG1-CB 4.22Å; P500-D503 WeakPolarHBondContact CD-OD2 3.37Å; P500-D503 WeakPolarHBondContact CG-OD2 3.49Å; P500-D503 PolarHBondContact O-N 2.77Å; D503-P505 WeakPolarHBondContact O-CD 3.06Å; D503-P505 VanDerWaalsContact O-N 3.08Å
504	M	82.3	Confident	75.3	Confident	47 Å²	47	97 Å²	97	23%	0.232	47%	0.47	C	S	.	.	S	Bend	trans	-56	106.3	173.1	-74.2	-71	-72.2	0	0	111.6	V499 P500	V499-M504 HydrophobicContact CB-SD 4.43Å; V499-M504 HydrophobicContact CG1-CG 3.98Å; V499-M504 HydrophobicContact CG1-SD 4.02Å; P500-M504 PolarHBondContact O-N 3.13Å
505	P	74.2	Confident	73.1	Confident	51 Å²	51	104.3 Å²	104.3	33%	0.331	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-70.3	138.3	-172.9	27.2	-33.3	0	0	0	111.2	I402 K405 D503 S507	I402-P505 HydrophobicContact CG2-CB 4.23Å; I402-P505 HydrophobicContact CG2-CG 3.37Å; K405-P505 WeakPolarHBondContact CE-O 3.45Å; K405-P505 PolarHBondContact NZ-O 3.14Å; D503-P505 WeakPolarHBondContact O-CD 3.06Å; D503-P505 VanDerWaalsContact O-N 3.08Å; P505-S507 PolarHBondContact O-N 3.43Å
506	K	69.1	Low	71.2	Confident	198 Å²	198	108.6 Å²	108.6	86%	0.861	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-66.6	132.6	175.7	-67.9	160.7	-173.1	162.4	0	108.8
507	S	54.3	Low	69.5	Low	42 Å²	42	113 Å²	113	29%	0.294	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-60.3	135	-177	-178	0	0	0	0	110.8	D407 P505 F509	D407-S507 PolarHBondContact OD2-OG 3.12Å; P505-S507 PolarHBondContact O-N 3.43Å; S507-F509 PolarHBondContact O-N 3.11Å
508	P	56.3	Low	67.7	Low	89 Å²	89	118.2 Å²	118.2	58%	0.578	58%	0.577	S	S	*	*	S	Bend	trans	-61.4	-31.8	179.3	24.6	-34	0	0	0	111.5	K510	P508-K510 PolarHBondContact O-N 3.23Å
509	F	58.1	Low	65.8	Low	169 Å²	169	120.5 Å²	120.5	74%	0.741	58%	0.584	S	S	*	*			trans	-72.7	72.5	172	-69.1	-73.2	0	0	0	111.9	S507 R511	S507-F509 PolarHBondContact O-N 3.11Å; F509-R511 PolarHBondContact O-N 3.22Å
510	K	52	Low	64	Low	187 Å²	187	127.1 Å²	127.1	81%	0.813	62%	0.62	S	S	*	*			trans	-62.8	79.9	166.3	-74.4	-179.1	-178.7	169.2	0	110.7	P508 R512	P508-K510 PolarHBondContact O-N 3.23Å; K510-R512 PolarHBondContact O-N 3.28Å
511	R	54.6	Low	62.4	Low	235 Å²	235	130.8 Å²	130.8	89%	0.887	64%	0.636	S	S	*	*			trans	-54.1	112.6	156.6	-144.3	-176.1	-68.1	174.5	-1.8	106.1	F509 R513	F509-R511 PolarHBondContact O-N 3.22Å; R511-R513 PolarHBondContact O-N 2.83Å
512	R	49.4	Very low	61	Low	247 Å²	247	134.1 Å²	134.1	93%	0.932	65%	0.647	S	S	*	*			trans	-52.5	105.2	-179.3	-94.5	-174.9	168	-168.2	-2.5	108.5	K510 S514	K510-R512 PolarHBondContact O-N 3.28Å; R512-S514 PolarHBondContact O-N 2.77Å
513	R	56.7	Low	59.6	Low	238 Å²	238	139.8 Å²	139.8	90%	0.898	65%	0.649	S	S	*	*			trans	-63.1	123.9	165.6	-62.9	-175.1	-174.7	-173.1	1.2	105.9	R511 M515	R511-R513 PolarHBondContact O-N 2.83Å; R513-M515 PolarHBondContact O-N 2.75Å
514	S	54.4	Low	58.2	Low	99 Å²	99	142.8 Å²	142.8	69%	0.692	67%	0.665	S	S	*	*			trans	-61.2	136.4	169.2	45.5	0	0	0	0	108.5	R512 N516	R512-S514 PolarHBondContact O-N 2.77Å; S514-N516 PolarHBondContact O-N 2.73Å
515	M	49.3	Very low	56.9	Low	155 Å²	155	144.9 Å²	144.9	76%	0.764	68%	0.682	S	S	*	*			trans	-57.5	115.7	-179.6	-177.6	-155.9	-69	0	0	109.1	R513 E517	R513-M515 PolarHBondContact O-N 2.75Å; M515-E517 HydrophobicContact CG-CG 4.27Å
516	N	57.5	Low	56	Low	90 Å²	90	152.1 Å²	152.1	48%	0.481	70%	0.703	S	S	.	*			trans	-146.9	36.8	175.1	-119.6	-37.3	0	0	0	110.4	S514 I518 K519	S514-N516 PolarHBondContact O-N 2.73Å; N516-I518 PolarHBondContact O-N 2.92Å; N516-I518 VanDerWaalsContact O-N 3.11Å; N516-K519 PolarHBondContact O-N 3.41Å
517	E	62	Low	55.6	Low	134 Å²	134	146.9 Å²	146.9	63%	0.626	70%	0.696	S	S	*	*	H	α-helix	trans	-55.4	-28.4	-178.7	-64.6	166	-172.9	0	0	111.9	M515 K519 N520 L521	M515-E517 HydrophobicContact CG-CG 4.27Å; E517-K519 PolarHBondContact O-N 2.81Å; E517-N520 WeakPolarHBondContact O-CA 3.23Å; E517-N520 WeakPolarHBondContact O-CB 3.22Å; E517-N520 PolarHBondContact O-N 3.45Å; E517-L521 PolarHBondContact O-N 2.7Å
518	I	58.7	Low	56.1	Low	132 Å²	132	148.4 Å²	148.4	68%	0.677	71%	0.707	S	S	*	*	H	α-helix	trans	-56.5	-30.4	173.7	-62.6	162.8	0	0	0	112.7	N516 L521	N516-I518 PolarHBondContact O-N 2.92Å; N516-I518 VanDerWaalsContact O-N 3.11Å; I518-L521 PolarHBondContact O-N 3.49Å
519	K	55.3	Low	56.6	Low	148 Å²	148	150.8 Å²	150.8	64%	0.643	71%	0.711	S	S	*	*	H	α-helix	trans	-75	-29.1	175.2	-68.9	-166	175.5	-172	0	112.9	N516 E517 L521 H522	N516-K519 PolarHBondContact O-N 3.41Å; E517-K519 PolarHBondContact O-N 2.81Å; K519-L521 VanDerWaalsContact C-N 3.29Å; K519-H522 PolarHBondContact O-ND1 2.85Å
520	N	55.2	Low	57.3	Low	139 Å²	139	147.6 Å²	147.6	74%	0.743	71%	0.707	S	S	*	*	H	α-helix	trans	-82.4	-6.9	175.8	-62.8	6.7	0	0	0	112.7	E517 H522	E517-N520 WeakPolarHBondContact O-CA 3.23Å; E517-N520 WeakPolarHBondContact O-CB 3.22Å; E517-N520 PolarHBondContact O-N 3.45Å; N520-H522 VanDerWaalsContact C-N 3.26Å
521	L	57.3	Low	58.9	Low	115 Å²	115	146.8 Å²	146.8	60%	0.602	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-5.7	172.9	-92.8	162.9	0	0	0	113.6	E517 I518 K519 Y523	E517-L521 PolarHBondContact O-N 2.7Å; I518-L521 PolarHBondContact O-N 3.49Å; K519-L521 VanDerWaalsContact C-N 3.29Å; L521-Y523 WeakPolarHBondContact O-CD2 3.48Å; L521-Y523 PolarHBondContact O-N 3.4Å; L521-Y523 VanDerWaalsContact O-N 3.13Å
522	H	56.7	Low	60.6	Low	141 Å²	141	140.7 Å²	140.7	65%	0.653	68%	0.68	S	S	*	*	S	Bend	trans	-66	109	157.1	-63.4	99.6	0	0	0	108.1	K519 N520 L524	K519-H522 PolarHBondContact O-ND1 2.85Å; N520-H522 VanDerWaalsContact C-N 3.26Å; H522-L524 PolarHBondContact O-N 3.37Å
523	Y	53.8	Low	62.6	Low	213 Å²	213	132 Å²	132	84%	0.835	65%	0.654	S	S	*	*			trans	-66.4	75	176.3	-84.6	-106.1	0	0	0	111.1	L521	L521-Y523 WeakPolarHBondContact O-CD2 3.48Å; L521-Y523 PolarHBondContact O-N 3.4Å; L521-Y523 VanDerWaalsContact O-N 3.13Å
524	L	54.3	Low	64.4	Low	129 Å²	129	124.3 Å²	124.3	68%	0.675	63%	0.631	S	S	*	*			trans	-58.8	132.8	153.2	-66.2	178.6	0	0	0	107.3	H522 R526	H522-L524 PolarHBondContact O-N 3.37Å; L524-R526 PolarHBondContact O-N 3.14Å
525	P	55.6	Low	66.3	Low	92 Å²	92	120.9 Å²	120.9	60%	0.597	60%	0.603	S	S	*	*			trans	-56.1	136.7	178.3	-25.6	34.7	0	0	0	110.5	A527 S528	P525-A527 PolarHBondContact O-N 3.02Å; P525-S528 PolarHBondContact O-N 2.96Å; P525-S528 PolarHBondContact O-OG 3.38Å; P525-S528 VanDerWaalsContact O-OG 3.1Å
526	R	56.2	Low	68.5	Low	202 Å²	202	118.8 Å²	118.8	76%	0.762	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	23.2	180	-145.2	-175.6	-61.3	-169.4	1.8	114.1	L524 R531	L524-R526 PolarHBondContact O-N 3.14Å; R526-R531 PolarHBondContact O-NH2 3.16Å
527	A	59.3	Low	70.4	Confident	88 Å²	88	114.5 Å²	114.5	73%	0.727	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-6.9	175.5	0	0	0	0	0	112.4	P525	P525-A527 PolarHBondContact O-N 3.02Å
528	S	64.8	Low	72	Confident	74 Å²	74	111 Å²	111	52%	0.517	55%	0.55	S	S	.	.	S	Bend	trans	-97.9	-5.5	178.4	65.7	0	0	0	0	114.9	P525	P525-S528 PolarHBondContact O-N 2.96Å; P525-S528 PolarHBondContact O-OG 3.38Å; P525-S528 VanDerWaalsContact O-OG 3.1Å
529	E	67.6	Low	73.7	Confident	140 Å²	140	107 Å²	107	65%	0.654	53%	0.532	S	S	*	.	S	Bend	trans	-89.2	130.7	172.5	-67.4	-174.2	139.1	0	0	110.1	R531	E529-R531 PolarHBondContact O-N 3.45Å
530	P	73.9	Confident	75.7	Confident	102 Å²	102	103.6 Å²	103.6	66%	0.662	52%	0.517	S	S	*	.			trans	-58.1	121.2	173.8	-26.1	35.6	0	0	0	112.2	T501 E532	T501-P530 PolarHBondContact OG1-O 3.46Å; T501-P530 VanDerWaalsContact OG1-O 3.05Å; P530-E532 VanDerWaalsContact C-N 3.35Å
531	R	85	Confident	77.7	Confident	169 Å²	169	97 Å²	97	64%	0.638	48%	0.482	S	S	*	.	S	Bend	trans	-85.8	-12.7	-179.6	-68.1	178.4	172.3	-114.4	-4.7	113.3	P500 T501 R526 E529	P500-R531 WeakPolarHBondContact CA-O 3.38Å; T501-R531 PolarHBondContact N-O 3.26Å; T501-R531 PolarHBondContact OG1-O 3.35Å; R526-R531 PolarHBondContact O-NH2 3.16Å; E529-R531 PolarHBondContact O-N 3.45Å
532	E	90.9	Very high	79.6	Confident	108 Å²	108	92.1 Å²	92.1	51%	0.505	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.9	-179	-64.9	162.4	-176.1	0	0	108.4	M498 V499 T501 P530	M498-E532 HydrophobicContact CB-CB 4.38Å; M498-E532 HydrophobicContact CE-CB 3.65Å; V499-E532 CarbonylContact O-C 3.52Å; V499-E532 VanDerWaalsContact O-CA 3.28Å; V499-E532 WeakPolarHBondContact O-CA 3.37Å; T501-E532 PolarHBondContact OG1-N 2.78Å; P530-E532 VanDerWaalsContact C-N 3.35Å
533	V	90.9	Very high	81.4	Confident	64 Å²	64	85.4 Å²	85.4	39%	0.388	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.8	178.3	-178	0	0	0	0	108.2	V499 F535	V499-V533 PolarHBondContact N-O 3.33Å; V499-V533 PolarHBondContact O-N 3.23Å; V533-F535 PolarHBondContact O-N 3.42Å
534	L	93.8	Very high	83.4	Confident	76 Å²	76	76.1 Å²	76.1	40%	0.398	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	119.6	173.3	-178.8	63.1	0	0	0	109.7	E496 M498 E536	E496-L534 HydrophobicContact CG-CD1 3.9Å; M498-L534 HydrophobicContact SD-CB 3.84Å; M498-L534 HydrophobicContact SD-CD1 3.93Å; M498-L534 HydrophobicContact SD-CG 4.49Å; L534-E536 HydrophobicContact CD2-CG 3.79Å; L534-E536 HydrophobicContact CG-CG 3.87Å
535	F	94.9	Very high	85.1	Confident	27 Å²	27	71.5 Å²	71.5	12%	0.118	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	102.6	165.7	179.7	-93.8	0	0	0	108.4	L403 P433 P494 E496 Q497 V499 V533 D537	L403-F535 HydrophobicContact CD1-CD2 3.75Å; L403-F535 HydrophobicContact CD1-CE2 3.9Å; L403-F535 HydrophobicContact CD1-CG 4.16Å; L403-F535 HydrophobicContact CD1-CZ 4.42Å; P433-F535 HydrophobicContact CG-CZ 4.35Å; P494-F535 HydrophobicContact CG-CD1 4.19Å; P494-F535 HydrophobicContact CG-CE1 3.5Å; P494-F535 HydrophobicContact CG-CZ 4.12Å; E496-F535 WeakPolarHBondContact CA-O 3.24Å; E496-F535 WeakPolarHBondContact CG-O 3.31Å; Q497-F535 HydrophobicContact CG-CB 4.29Å; Q497-F535 PolarHBondContact N-O 3.44Å; Q497-F535 PolarHBondContact O-N 2.81Å; V499-F535 HydrophobicContact CG2-CB 3.69Å; V533-F535 PolarHBondContact O-N 3.42Å; F535-D537 HydrophobicContact CD1-CB 4.22Å; F535-D537 HydrophobicContact CE1-CB 3.89Å; F535-D537 PolarHBondContact O-N 2.89Å
536	E	94.9	Very high	86.5	Confident	112 Å²	112	68 Å²	68	52%	0.523	34%	0.341	S	S	.	.			trans	-79.1	110.7	179.1	-57.8	-167.6	125.9	0	0	110.6	L534 R538	L534-E536 HydrophobicContact CD2-CG 3.79Å; L534-E536 HydrophobicContact CG-CG 3.87Å; E536-R538 IonicContact OE1-CZ 2.75Å; E536-R538 IonicContact OE1-NH1 2.81Å; E536-R538 PolarHBondContact OE1-NH1 3.33Å; E536-R538 IonicContact OE1-NH2 3.94Å; E536-R538 PolarHBondContact OE1-NH2 2.97Å; E536-R538 IonicContact OE2-NH1 3.91Å
537	D	96.5	Very high	87.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.			trans	-101.2	86.5	-179.5	-164.2	-27	0	0	0	110.3	R493 P494 G495 E496 F535 T648	R493-D537 IonicContact CZ-OD1 3.18Å; R493-D537 IonicContact NE-OD1 3.81Å; R493-D537 PolarHBondContact NE-OD1 2.88Å; R493-D537 IonicContact NE-OD2 2.95Å; R493-D537 IonicContact NH2-OD1 2.62Å; R493-D537 PolarHBondContact NH2-OD1 3.05Å; P494-D537 WeakPolarHBondContact CD-OD2 3.45Å; P494-D537 WeakPolarHBondContact CG-OD2 3.45Å; G495-D537 PolarHBondContact N-OD2 2.82Å; E496-D537 HydrophobicContact CB-CB 4.17Å; F535-D537 HydrophobicContact CD1-CB 4.22Å; F535-D537 HydrophobicContact CE1-CB 3.89Å; F535-D537 PolarHBondContact O-N 2.89Å; D537-T648 VanDerWaalsContact CG-OG1 3.28Å; D537-T648 PolarHBondContact O-N 2.83Å; D537-T648 WeakPolarHBondContact OD1-CB 3.5Å; D537-T648 PolarHBondContact OD1-OG1 3.31Å
538	R	95.6	Very high	88	Confident	59 Å²	59	63.5 Å²	63.5	22%	0.223	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	139.9	-169.5	-54.2	-174.6	-161.8	136.4	12.3	113.5	E496 E536 W609 F646 K647	E496-R538 IonicContact OE1-NH2 2.7Å; E496-R538 IonicContact OE2-CZ 3.77Å; E496-R538 IonicContact OE2-NE 2.69Å; E496-R538 PolarHBondContact OE2-NE 2.73Å; E496-R538 IonicContact OE2-NH2 3.92Å; E496-R538 PolarHBondContact OE2-NH2 2.93Å; E536-R538 IonicContact OE1-CZ 2.75Å; E536-R538 IonicContact OE1-NH1 2.81Å; E536-R538 PolarHBondContact OE1-NH1 3.33Å; E536-R538 IonicContact OE1-NH2 3.94Å; E536-R538 PolarHBondContact OE1-NH2 2.97Å; E536-R538 IonicContact OE2-NH1 3.91Å; R538-W609 HydrophobicContact CB-CE3 3.96Å; R538-W609 HydrophobicContact CB-CH2 4.21Å; R538-W609 HydrophobicContact CB-CZ3 3.67Å; R538-W609 HydrophobicContact CG-CE3 4.35Å; R538-W609 HydrophobicContact CG-CH2 4.18Å; R538-W609 HydrophobicContact CG-CZ3 4.08Å; R538-F646 CarbonylContact C-O 3.3Å; R538-F646 WeakPolarHBondContact CA-O 3.2Å; R538-K647 HydrophobicContact CG-CB 4.46Å; R538-K647 HydrophobicContact CG-CG 4.39Å
539	T	95.8	Very high	88.1	Confident	49 Å²	49	63.4 Å²	63.4	30%	0.301	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.4	161.5	-52.1	0	0	0	0	107.7	H542 Q645 F646	T539-H542 VanDerWaalsContact CG2-CE1 3.47Å; T539-H542 WeakPolarHBondContact CG2-CE1 3.41Å; T539-Q645 WeakPolarHBondContact O-CB 3.48Å; T539-F646 PolarHBondContact N-O 3.36Å; T539-F646 PolarHBondContact O-N 3.29Å
540	K	96.9	Very high	87.8	Confident	77 Å²	77	66.4 Å²	66.4	34%	0.335	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	179.1	-175.1	-59.7	177.6	-175.7	179.9	0	112.5	H542 C606 V607 Q608	K540-H542 PolarHBondContact O-N 3.23Å; K540-H542 PolarHBondContact O-ND1 2.84Å; K540-C606 HydrophobicContact CB-CB 4.28Å; K540-C606 WeakPolarHBondContact CD-O 3.34Å; K540-C606 PolarHBondContact NZ-O 3.21Å; K540-V607 VanDerWaalsContact NZ-C 3.34Å; K540-V607 PolarHBondContact NZ-O 2.83Å; K540-Q608 WeakPolarHBondContact CD-O 3.39Å
541	A	97.6	Very high	87.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	126.4	173.5	0	0	0	0	0	111.6	L594 L596 C606 V610 I643 H644	A541-L594 HydrophobicContact CB-CD1 3.77Å; A541-L596 HydrophobicContact CB-CD2 4.39Å; A541-C606 HydrophobicContact CB-CB 4.1Å; A541-C606 WeakPolarHBondContact O-CB 3.43Å; A541-V610 HydrophobicContact CB-CG2 4.17Å; A541-I643 HydrophobicContact CB-CG2 4.12Å; A541-H644 CarbonylContact C-O 3.55Å; A541-H644 VanDerWaalsContact CA-O 3.27Å; A541-H644 WeakPolarHBondContact CA-O 3.3Å
542	H	97.4	Very high	87.4	Confident	13 Å²	13	61.7 Å²	61.7	6%	0.06	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.7	173.7	57.1	-68.6	0	0	0	109.6	T539 K540 D544 P602 Q605 I643 H644	T539-H542 VanDerWaalsContact CG2-CE1 3.47Å; T539-H542 WeakPolarHBondContact CG2-CE1 3.41Å; K540-H542 PolarHBondContact O-N 3.23Å; K540-H542 PolarHBondContact O-ND1 2.84Å; H542-D544 IonicContact CD2-OD1 2.58Å; H542-D544 PolarHBondContact CD2-OD1 2.97Å; H542-D544 IonicContact NE2-OD1 2.61Å; H542-P602 HydrophobicContact CB-CB 4.01Å; H542-Q605 HydrophobicContact CB-CB 4.44Å; H542-Q605 VanDerWaalsContact CB-OE1 3.32Å; H542-I643 CarbonylContact O-C 3.48Å; H542-I643 VanDerWaalsContact O-CA 3.25Å; H542-I643 WeakPolarHBondContact O-CA 3.19Å; H542-H644 AromaticContact CD2-CE1 3.99Å; H542-H644 AromaticContact CD2-NE2 3.96Å; H542-H644 AromaticContact CE1-CD2 3.85Å; H542-H644 AromaticContact CE1-NE2 3.54Å; H542-H644 PolarHBondContact N-O 3.47Å; H542-H644 PolarHBondContact ND1-O 2.76Å; H542-H644 AromaticContact NE2-CE1 3.78Å; H542-H644 AromaticContact NE2-NE2 3.3Å; H542-H644 PolarHBondContact NE2-NE2 3.08Å; H542-H644 PolarHBondContact O-N 3.22Å
543	A	94.8	Very high	87.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.			trans	-124.8	144.4	160.1	0	0	0	0	0	109.5	H545 F587 Q605 I643	A543-H545 PolarHBondContact O-CE1 2.93Å; A543-H545 PolarHBondContact O-ND1 2.83Å; A543-F587 HydrophobicContact CB-CE2 3.85Å; A543-Q605 PolarHBondContact O-NE2 3.21Å; A543-Q605 PolarHBondContact O-OE1 2.57Å; A543-I643 HydrophobicContact CB-CG1 3.8Å
544	D	94.1	Very high	87.1	Confident	18 Å²	18	58.3 Å²	58.3	10%	0.096	29%	0.29	C	S	.	.			trans	-82.1	141.5	-178.4	-62.6	-36.7	0	0	0	110.9	H542 S554 T555 A557 H644	H542-D544 IonicContact CD2-OD1 2.58Å; H542-D544 PolarHBondContact CD2-OD1 2.97Å; H542-D544 IonicContact NE2-OD1 2.61Å; D544-S554 CarbonylContact O-C 3.5Å; D544-S554 VanDerWaalsContact O-CA 3.24Å; D544-S554 WeakPolarHBondContact O-CA 3.4Å; D544-S554 PolarHBondContact O-OG 2.84Å; D544-T555 HydrophobicContact CB-CG2 3.81Å; D544-T555 PolarHBondContact O-N 2.95Å; D544-A557 WeakPolarHBondContact OD2-CB 3.46Å; D544-H644 IonicContact OD2-CE1 2.75Å; D544-H644 PolarHBondContact OD2-CE1 2.89Å; D544-H644 IonicContact OD2-NE2 3.2Å
545	H	90	Very high	87.1	Confident	32 Å²	32	55 Å²	55	15%	0.148	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.3	-175.2	-63.9	75.3	0	0	0	110.8	A543 W552 Q553	A543-H545 PolarHBondContact O-CE1 2.93Å; A543-H545 PolarHBondContact O-ND1 2.83Å; H545-W552 HydrophobicContact CB-CE3 4.36Å; H545-Q553 CarbonylContact C-O 3.55Å; H545-Q553 WeakPolarHBondContact CA-O 3.31Å
546	V	85.9	Confident	87.2	Confident	17 Å²	17	53.7 Å²	53.7	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.4	167.3	-66.3	0	0	0	0	109.7	D486 W552 Q553 T555 H658 R660	D486-V546 WeakPolarHBondContact OD1-CG1 3.45Å; V546-W552 WeakPolarHBondContact O-CA 3.35Å; V546-Q553 PolarHBondContact N-O 3.32Å; V546-Q553 PolarHBondContact O-N 3.22Å; V546-T555 HydrophobicContact CG1-CG2 4.13Å; V546-H658 HydrophobicContact CG1-CB 4.32Å; V546-R660 HydrophobicContact CG2-CG 4.2Å
547	G	78.1	Confident	87.3	Confident	32 Å²	32	48.7 Å²	48.7	33%	0.33	25%	0.245	S	C	.	.	S	Bend	trans	133.7	174.5	178	0	0	0	0	0	113.9	D551 W552	G547-D551 VanDerWaalsContact CA-OD2 3.32Å; G547-D551 WeakPolarHBondContact CA-OD2 3.45Å; G547-W552 PolarHBondContact O-NE1 3.25Å
548	Q	67.6	Low	87.4	Confident	165 Å²	165	48.8 Å²	48.8	77%	0.771	25%	0.245	S	C	*	.	S	Bend	trans	-114.1	79.7	179.5	-62.7	-170.5	2.6	0	0	113.2	F550 D551	Q548-F550 VanDerWaalsContact C-N 3.33Å; Q548-F550 PolarHBondContact O-N 2.91Å; Q548-D551 VanDerWaalsContact CA-OD1 3.22Å; Q548-D551 WeakPolarHBondContact CA-OD1 3.45Å; Q548-D551 VanDerWaalsContact N-CG 3.26Å; Q548-D551 PolarHBondContact N-OD1 3.04Å; Q548-D551 PolarHBondContact N-OD2 3.46Å; Q548-D551 VanDerWaalsContact N-OD2 3.14Å; Q548-D551 VanDerWaalsContact O-OD1 3.07Å
549	S	68.1	Low	87.6	Confident	71 Å²	71	46 Å²	46	50%	0.497	24%	0.235	S	C	.	.	S	Bend	trans	74.2	-51.8	173.1	-39.3	0	0	0	0	117	W552	S549-W552 VanDerWaalsContact N-NE1 3.11Å
550	F	60.5	Low	87.7	Confident	204 Å²	204	43.6 Å²	43.6	90%	0.895	22%	0.221	S	C	*	.	S	Bend	trans	-108.6	-15.1	-171.3	-66.4	-73.5	0	0	0	114	Q548	Q548-F550 VanDerWaalsContact C-N 3.33Å; Q548-F550 PolarHBondContact O-N 2.91Å
551	D	70.4	Confident	87.8	Confident	87 Å²	87	40 Å²	40	47%	0.465	21%	0.205	S	C	.	.	S	Bend	trans	-108.4	22.3	179	61.5	-43.8	0	0	0	111.6	G547 Q548 Q553	G547-D551 VanDerWaalsContact CA-OD2 3.32Å; G547-D551 WeakPolarHBondContact CA-OD2 3.45Å; Q548-D551 VanDerWaalsContact CA-OD1 3.22Å; Q548-D551 WeakPolarHBondContact CA-OD1 3.45Å; Q548-D551 VanDerWaalsContact N-CG 3.26Å; Q548-D551 PolarHBondContact N-OD1 3.04Å; Q548-D551 PolarHBondContact N-OD2 3.46Å; Q548-D551 VanDerWaalsContact N-OD2 3.14Å; Q548-D551 VanDerWaalsContact O-OD1 3.07Å; D551-Q553 PolarHBondContact O-N 2.93Å
552	W	80.2	Confident	87.8	Confident	85 Å²	85	40.8 Å²	40.8	32%	0.322	21%	0.208	S	C	.	.			trans	-64.9	100.6	179.7	-85	22.5	0	0	0	111.2	H545 V546 G547 S549 L598 Y599	H545-W552 HydrophobicContact CB-CE3 4.36Å; V546-W552 WeakPolarHBondContact O-CA 3.35Å; G547-W552 PolarHBondContact O-NE1 3.25Å; S549-W552 VanDerWaalsContact N-NE1 3.11Å; W552-L598 WeakPolarHBondContact CZ3-O 3.36Å; W552-Y599 WeakPolarHBondContact CH2-O 3.42Å
553	Q	84.8	Confident	87.7	Confident	85 Å²	85	40.2 Å²	40.2	40%	0.397	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.4	175.8	-68.2	-175.1	-22.5	0	0	109.4	H545 V546 D551 T555	H545-Q553 CarbonylContact C-O 3.55Å; H545-Q553 WeakPolarHBondContact CA-O 3.31Å; V546-Q553 PolarHBondContact N-O 3.32Å; V546-Q553 PolarHBondContact O-N 3.22Å; D551-Q553 PolarHBondContact O-N 2.93Å; Q553-T555 PolarHBondContact O-N 2.84Å
554	S	90.2	Very high	87.6	Confident	16 Å²	16	40.2 Å²	40.2	11%	0.112	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	134.5	173.2	-174.3	0	0	0	0	110.1	D544 R640 N641	D544-S554 CarbonylContact O-C 3.5Å; D544-S554 VanDerWaalsContact O-CA 3.24Å; D544-S554 WeakPolarHBondContact O-CA 3.4Å; D544-S554 PolarHBondContact O-OG 2.84Å; S554-R640 WeakPolarHBondContact O-CB 3.38Å; S554-N641 WeakPolarHBondContact CB-OD1 3.29Å; S554-N641 PolarHBondContact OG-N 2.58Å
555	T	94.3	Very high	87.2	Confident	6 Å²	6	41.4 Å²	41.4	4%	0.037	21%	0.211	C	C	.	.			trans	-112	163	-175.3	-163.8	0	0	0	0	110.6	D544 V546 Q553 R640 H658 I659	D544-T555 HydrophobicContact CB-CG2 3.81Å; D544-T555 PolarHBondContact O-N 2.95Å; V546-T555 HydrophobicContact CG1-CG2 4.13Å; Q553-T555 PolarHBondContact O-N 2.84Å; T555-R640 WeakPolarHBondContact O-CA 3.32Å; T555-H658 HydrophobicContact CG2-CB 3.72Å; T555-I659 PolarHBondContact OG1-O 3.5Å
556	A	97	Very high	87	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	150.1	166.1	0	0	0	0	0	109.9	F360 I638 H658 I659 L661 Y664	F360-A556 HydrophobicContact CD1-CB 4.27Å; F360-A556 HydrophobicContact CE1-CB 3.81Å; A556-I638 CarbonylContact C-O 3.13Å; A556-I638 VanDerWaalsContact CA-O 3.24Å; A556-I638 WeakPolarHBondContact CA-O 3.45Å; A556-I638 WeakPolarHBondContact CB-O 3.39Å; A556-H658 CarbonylContact O-C 3.54Å; A556-H658 WeakPolarHBondContact O-CA 3.17Å; A556-I659 HydrophobicContact CB-CG2 3.71Å; A556-I659 PolarHBondContact O-N 2.96Å; A556-L661 HydrophobicContact CB-CD1 3.88Å; A556-Y664 HydrophobicContact CB-CE2 4.07Å
557	A	97.9	Very high	86.2	Confident	7 Å²	7	45.2 Å²	45.2	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.1	177.3	0	0	0	0	0	111.3	D544 F637 I638 W657	D544-A557 WeakPolarHBondContact OD2-CB 3.46Å; A557-F637 WeakPolarHBondContact O-CA 3.43Å; A557-I638 HydrophobicContact CB-CB 4.47Å; A557-I638 PolarHBondContact N-O 2.79Å; A557-I638 PolarHBondContact O-N 3.47Å; A557-W657 WeakPolarHBondContact CA-O 3.47Å
558	V	98.7	Very high	86	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.4	176.3	-170	0	0	0	0	108	L464 F637 A656 W657 I659	L464-V558 HydrophobicContact CD2-CG1 4.1Å; V558-F637 HydrophobicContact CB-CD1 4.3Å; V558-F637 HydrophobicContact CG1-CD1 3.7Å; V558-F637 HydrophobicContact CG1-CE1 3.64Å; V558-F637 HydrophobicContact CG2-CD1 3.95Å; V558-F637 HydrophobicContact CG2-CE1 4.4Å; V558-A656 WeakPolarHBondContact O-CA 3.32Å; V558-A656 VanDerWaalsContact O-CB 3.31Å; V558-A656 WeakPolarHBondContact O-CB 3.17Å; V558-W657 HydrophobicContact CB-CD2 4.16Å; V558-W657 HydrophobicContact CB-CG 4.42Å; V558-W657 HydrophobicContact CB-CZ2 4.06Å; V558-W657 HydrophobicContact CG1-CH2 4.32Å; V558-W657 HydrophobicContact CG1-CZ2 3.7Å; V558-W657 PolarHBondContact N-O 3.02Å; V558-W657 PolarHBondContact O-N 3.15Å; V558-W657 VanDerWaalsContact O-N 3.08Å; V558-I659 HydrophobicContact CG2-CG2 3.99Å
559	G	98.6	Very high	85.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.2	174	0	0	0	0	0	114.1	Y636 L655	G559-Y636 PolarHBondContact N-O 2.89Å; G559-Y636 WeakPolarHBondContact O-CD1 3.45Å; G559-Y636 PolarHBondContact O-N 3.42Å; G559-L655 WeakPolarHBondContact CA-O 3.45Å
560	V	98.8	Very high	85.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.7	-178.7	-171.3	0	0	0	0	109	A379 L382 F385 L464 I635 S654 L655 W657	A379-V560 HydrophobicContact CB-CG1 3.43Å; A379-V560 VanDerWaalsContact CB-CG1 3.43Å; L382-V560 HydrophobicContact CD1-CG1 4.13Å; F385-V560 HydrophobicContact CZ-CG1 4.06Å; L464-V560 HydrophobicContact CD1-CG2 3.96Å; L464-V560 HydrophobicContact CD2-CG2 3.95Å; V560-I635 HydrophobicContact CG1-CG1 4.28Å; V560-I635 HydrophobicContact CG2-CG1 4.39Å; V560-S654 WeakPolarHBondContact O-CA 3.44Å; V560-L655 HydrophobicContact CB-CB 4.17Å; V560-L655 HydrophobicContact CB-CD1 4.32Å; V560-L655 PolarHBondContact N-O 2.92Å; V560-L655 PolarHBondContact O-N 3.5Å; V560-W657 HydrophobicContact CG2-CH2 4.04Å; V560-W657 HydrophobicContact CG2-CZ3 4.21Å
561	L	98.6	Very high	85.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.5	-174.2	-55.7	-177.9	0	0	0	111.6	T576 K577 L630 D633 D634 Y636 V652 S654	L561-T576 WeakPolarHBondContact CD1-OG1 3.41Å; L561-K577 HydrophobicContact CD1-CD 4.19Å; L561-K577 HydrophobicContact CD1-CG 4.38Å; L561-K577 HydrophobicContact CD2-CD 4.13Å; L561-K577 VanDerWaalsContact CD2-CE 3.45Å; L561-L630 HydrophobicContact CD1-CB 3.53Å; L561-L630 HydrophobicContact CD1-CD1 3.92Å; L561-L630 HydrophobicContact CD1-CG 4.38Å; L561-D633 WeakPolarHBondContact O-CA 3.13Å; L561-D633 PolarHBondContact O-N 2.76Å; L561-D633 VanDerWaalsContact O-N 3.14Å; L561-D634 PolarHBondContact N-O 3.47Å; L561-Y636 HydrophobicContact CD1-CD1 4.26Å; L561-Y636 HydrophobicContact CD1-CE1 4.13Å; L561-Y636 HydrophobicContact CD2-CE1 3.82Å; L561-Y636 HydrophobicContact CG-CD1 4.18Å; L561-Y636 HydrophobicContact CG-CE1 3.87Å; L561-V652 HydrophobicContact CB-CG2 4.21Å; L561-V652 HydrophobicContact CD2-CG2 4.17Å; L561-S654 WeakPolarHBondContact CD2-OG 3.46Å
562	K	97.1	Very high	85.9	Confident	18 Å²	18	45.5 Å²	45.5	8%	0.078	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.2	165.8	-61.1	-67.7	-65.1	-166.4	0	108.2	A379 L382 P383 F385 D632 D633 V652 C653	A379-K562 HydrophobicContact CB-CD 4.49Å; A379-K562 PolarHBondContact O-NZ 3.39Å; L382-K562 WeakPolarHBondContact O-CE 3.17Å; L382-K562 PolarHBondContact O-NZ 2.71Å; P383-K562 WeakPolarHBondContact O-CE 3.46Å; F385-K562 HydrophobicContact CD1-CG 3.98Å; F385-K562 HydrophobicContact CD2-CB 4.04Å; F385-K562 HydrophobicContact CD2-CG 3.82Å; F385-K562 HydrophobicContact CE1-CD 4.44Å; F385-K562 HydrophobicContact CE1-CG 3.62Å; F385-K562 HydrophobicContact CE2-CB 4.03Å; F385-K562 HydrophobicContact CE2-CG 3.43Å; F385-K562 VanDerWaalsContact CE2-CG 3.43Å; F385-K562 HydrophobicContact CG-CB 4.39Å; F385-K562 HydrophobicContact CG-CG 4.08Å; F385-K562 HydrophobicContact CZ-CB 4.4Å; F385-K562 HydrophobicContact CZ-CD 4.28Å; F385-K562 HydrophobicContact CZ-CG 3.34Å; K562-D632 WeakPolarHBondContact CA-OD1 3.48Å; K562-D633 WeakPolarHBondContact CD-OD1 3.21Å; K562-D633 WeakPolarHBondContact CE-OD1 3.41Å; K562-D633 IonicContact NZ-OD1 2.79Å; K562-D633 PolarHBondContact NZ-OD1 2.8Å; K562-V652 WeakPolarHBondContact O-CG2 3.38Å; K562-C653 PolarHBondContact N-O 3.01Å; K562-C653 PolarHBondContact O-N 2.8Å
563	A	95.5	Very high	86.2	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.5	174.1	0	0	0	0	0	109.9	H565 R574 T576 D632	A563-H565 PolarHBondContact O-CE1 3.46Å; A563-H565 PolarHBondContact O-ND1 3.24Å; A563-R574 HydrophobicContact CB-CB 4.18Å; A563-T576 HydrophobicContact CB-CG2 3.64Å; A563-D632 HydrophobicContact CB-CB 3.79Å; A563-D632 PolarHBondContact N-OD1 2.99Å
564	V	93.9	Very high	86.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.			trans	-79.3	130.2	177.4	175.1	0	0	0	0	108.8	V420 Y424 V492 F566 A651	V420-V564 HydrophobicContact CG1-CG1 4.09Å; Y424-V564 HydrophobicContact CD2-CG1 3.87Å; Y424-V564 HydrophobicContact CE2-CB 4.18Å; Y424-V564 HydrophobicContact CE2-CG1 3.85Å; Y424-V564 WeakPolarHBondContact CE2-O 3.46Å; Y424-V564 PolarHBondContact OH-O 3.44Å; V492-V564 HydrophobicContact CG1-CG2 4.13Å; V564-F566 HydrophobicContact CG1-CD2 3.5Å; V564-F566 VanDerWaalsContact CG1-CD2 3.5Å; V564-F566 HydrophobicContact CG1-CE2 3.47Å; V564-F566 VanDerWaalsContact CG1-CE2 3.47Å; V564-A651 HydrophobicContact CB-CB 3.93Å; V564-A651 HydrophobicContact CG2-CB 4.25Å; V564-A651 PolarHBondContact N-O 3.25Å
565	H	85.5	Confident	86.7	Confident	43 Å²	43	45 Å²	45	20%	0.199	25%	0.254	C	S	.	.			trans	-119.4	-42.6	-172	-74.6	101.5	0	0	0	116.9	Y424 A563 G567 E568 D632	Y424-H565 WeakPolarHBondContact CE1-O 3.5Å; A563-H565 PolarHBondContact O-CE1 3.46Å; A563-H565 PolarHBondContact O-ND1 3.24Å; H565-G567 PolarHBondContact O-N 3.12Å; H565-E568 PolarHBondContact O-N 3.24Å; H565-D632 IonicContact CE1-OD2 2.78Å; H565-D632 PolarHBondContact CE1-OD2 3.45Å; H565-D632 VanDerWaalsContact CE1-OD2 3.24Å; H565-D632 IonicContact NE2-OD2 3.39Å
566	F	85.4	Confident	86.9	Confident	51 Å²	51	44.8 Å²	44.8	22%	0.224	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	28.7	-176.5	-77.2	-74.8	0	0	0	115.8	L386 H417 V420 S421 Y424 V564	L386-F566 HydrophobicContact CD2-CE2 4.03Å; L386-F566 HydrophobicContact CD2-CZ 4.12Å; H417-F566 AromaticContact CD2-CE1 3.99Å; H417-F566 AromaticContact CD2-CZ 3.81Å; H417-F566 AromaticContact CE1-CE1 3.57Å; H417-F566 AromaticContact NE2-CE1 3.52Å; H417-F566 AromaticContact NE2-CZ 3.81Å; V420-F566 HydrophobicContact CB-CE2 4.02Å; V420-F566 HydrophobicContact CB-CZ 4.27Å; V420-F566 HydrophobicContact CG1-CD2 4.13Å; V420-F566 HydrophobicContact CG1-CE2 3.39Å; V420-F566 HydrophobicContact CG1-CZ 4.13Å; S421-F566 WeakPolarHBondContact OG-CD1 3.26Å; Y424-F566 HydrophobicContact CD1-CB 4.18Å; Y424-F566 HydrophobicContact CD2-CD2 4.22Å; Y424-F566 HydrophobicContact CG-CB 4.38Å; Y424-F566 HydrophobicContact CG-CD2 4.15Å; V564-F566 HydrophobicContact CG1-CD2 3.5Å; V564-F566 VanDerWaalsContact CG1-CD2 3.5Å; V564-F566 HydrophobicContact CG1-CE2 3.47Å; V564-F566 VanDerWaalsContact CG1-CE2 3.47Å
567	G	69.9	Low	86.9	Confident	77 Å²	77	45 Å²	45	79%	0.794	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-4.8	-178.2	0	0	0	0	0	115.7	H565 G569	H565-G567 PolarHBondContact O-N 3.12Å; G567-G569 PolarHBondContact O-N 3.44Å
568	E	72.4	Confident	86.9	Confident	80 Å²	80	45.6 Å²	45.6	37%	0.374	26%	0.255	S	S	.	.			trans	-81.4	68.3	169	-64.7	-170.5	-169.6	0	0	111.3	Y424 S426 H565	Y424-E568 HydrophobicContact CE1-CB 3.99Å; Y424-E568 HydrophobicContact CE1-CG 4Å; S426-E568 WeakPolarHBondContact CA-OE2 3.5Å; S426-E568 PolarHBondContact N-OE2 3.05Å; H565-E568 PolarHBondContact O-N 3.24Å
569	G	60.6	Low	86.9	Confident	60 Å²	60	45.5 Å²	45.5	62%	0.619	26%	0.255	S	S	*	.			trans	-87.5	118.7	175.2	0	0	0	0	0	113.2	G567	G567-G569 PolarHBondContact O-N 3.44Å
570	D	61.4	Low	86.9	Confident	107 Å²	107	45.8 Å²	45.8	57%	0.572	26%	0.257	S	S	*	.			trans	-98.2	149.7	148.9	-176.6	11.9	0	0	0	107.1	R572	D570-R572 PolarHBondContact O-N 3.16Å
571	N	64.9	Low	86.9	Confident	167 Å²	167	45.8 Å²	45.8	89%	0.893	26%	0.257	S	S	*	.	S	Bend	trans	-76.3	29.8	-177.5	-74.2	0.2	0	0	0	112.7
572	R	78.1	Confident	86.9	Confident	152 Å²	152	45.9 Å²	45.9	57%	0.574	26%	0.257	S	S	*	.	S	Bend	trans	-126.9	127.1	-175.1	-65.9	-177.8	175.6	-132.2	-3.7	109.5	D570 R574	D570-R572 PolarHBondContact O-N 3.16Å; R572-R574 PolarHBondContact O-N 2.84Å
573	P	85.9	Confident	86.9	Confident	56 Å²	56	45.2 Å²	45.2	36%	0.364	25%	0.254	S	S	.	.			trans	-61.5	129.6	179.9	27.2	-35.1	0	0	0	110.1	L298 C631 D632	L298-P573 HydrophobicContact CD1-CG 3.72Å; L298-P573 HydrophobicContact CD2-CG 3.91Å; L298-P573 HydrophobicContact CG-CG 4.49Å; P573-C631 HydrophobicContact CB-CB 4.18Å; P573-D632 HydrophobicContact CB-CB 4.36Å
574	R	91.3	Very high	87	Confident	58 Å²	58	45.4 Å²	45.4	22%	0.219	26%	0.256	C	S	.	.			trans	-83.3	130.1	-173.4	-176.9	179.2	-62.8	-86.2	3.7	110.2	S426 A563 R572 T576 C631 D632	S426-R574 PolarHBondContact O-NH1 2.85Å; A563-R574 HydrophobicContact CB-CB 4.18Å; R572-R574 PolarHBondContact O-N 2.84Å; R574-T576 PolarHBondContact O-N 2.84Å; R574-T576 VanDerWaalsContact O-N 3.07Å; R574-C631 CarbonylContact O-C 3.52Å; R574-C631 VanDerWaalsContact O-C 3.3Å; R574-C631 VanDerWaalsContact O-CA 3.23Å; R574-C631 WeakPolarHBondContact O-CA 3.42Å; R574-D632 HydrophobicContact CB-CB 4.46Å; R574-D632 PolarHBondContact O-N 3.49Å
575	I	95.5	Very high	87.1	Confident	62 Å²	62	47.5 Å²	47.5	32%	0.318	28%	0.277	S	S	.	.			trans	-64	113	171.9	-63.2	157.8	0	0	0	108.9	Q629 V649	I575-Q629 HydrophobicContact CG2-CB 4.02Å; I575-Q629 HydrophobicContact CG2-CG 4.15Å; I575-V649 HydrophobicContact CG2-CB 4.47Å; I575-V649 HydrophobicContact CG2-CG1 4.45Å
576	T	97	Very high	87.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.275	C	S	.	.			trans	-96.6	-38.2	-176.6	56.4	0	0	0	0	112.2	L561 A563 R574 L630 C631 V649 S650 V652	L561-T576 WeakPolarHBondContact CD1-OG1 3.41Å; A563-T576 HydrophobicContact CB-CG2 3.64Å; R574-T576 PolarHBondContact O-N 2.84Å; R574-T576 VanDerWaalsContact O-N 3.07Å; T576-L630 PolarHBondContact N-O 2.91Å; T576-L630 PolarHBondContact OG1-O 3.02Å; T576-C631 PolarHBondContact OG1-O 3.17Å; T576-C631 VanDerWaalsContact OG1-O 3.07Å; T576-V649 PolarHBondContact O-N 3.19Å; T576-S650 PolarHBondContact O-N 3.06Å; T576-V652 HydrophobicContact CG2-CB 3.89Å; T576-V652 HydrophobicContact CG2-CG2 3.71Å
577	K	98.4	Very high	88.1	Confident	5 Å²	5	45.3 Å²	45.3	2%	0.022	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.2	-177.3	-56.3	-174.6	-176.5	175.7	0	112.8	L561 V579 Q629 L630 F646 K647 S654	L561-K577 HydrophobicContact CD1-CD 4.19Å; L561-K577 HydrophobicContact CD1-CG 4.38Å; L561-K577 HydrophobicContact CD2-CD 4.13Å; L561-K577 VanDerWaalsContact CD2-CE 3.45Å; K577-V579 HydrophobicContact CB-CG2 3.92Å; K577-Q629 WeakPolarHBondContact O-CA 3.34Å; K577-L630 HydrophobicContact CB-CB 4.33Å; K577-L630 PolarHBondContact N-O 3.2Å; K577-L630 VanDerWaalsContact N-O 3.08Å; K577-L630 PolarHBondContact O-N 2.86Å; K577-F646 HydrophobicContact CB-CD1 4.38Å; K577-F646 HydrophobicContact CD-CD1 3.59Å; K577-F646 HydrophobicContact CD-CE1 4Å; K577-F646 HydrophobicContact CD-CG 4.41Å; K577-K647 CarbonylContact C-O 3.14Å; K577-K647 VanDerWaalsContact CA-O 3.26Å; K577-K647 WeakPolarHBondContact CA-O 3.28Å; K577-S654 VanDerWaalsContact CE-OG 3.25Å; K577-S654 WeakPolarHBondContact CE-OG 3.25Å; K577-S654 PolarHBondContact NZ-OG 2.98Å
578	D	98.1	Very high	89.3	Confident	19 Å²	19	47.8 Å²	47.8	10%	0.102	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.4	168	173.6	22.4	0	0	0	106.4	R627 K647 V649	D578-R627 IonicContact OD1-CZ 3.46Å; D578-R627 IonicContact OD1-NE 3.38Å; D578-R627 PolarHBondContact OD1-NE 3.29Å; D578-R627 IonicContact OD1-NH2 3.14Å; D578-R627 IonicContact OD2-CZ 2.72Å; D578-R627 IonicContact OD2-NE 3.58Å; D578-R627 IonicContact OD2-NH2 2.97Å; D578-R627 PolarHBondContact OD2-NH2 3Å; D578-K647 HydrophobicContact CB-CB 4.26Å; D578-K647 PolarHBondContact N-O 2.96Å; D578-K647 PolarHBondContact O-N 3.25Å; D578-V649 HydrophobicContact CB-CG2 3.68Å
579	V	98.3	Very high	90.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.7	-162.7	-166.7	0	0	0	0	109.5	K577 R627 A628 L630 F646	K577-V579 HydrophobicContact CB-CG2 3.92Å; V579-R627 CarbonylContact O-C 3.54Å; V579-R627 VanDerWaalsContact O-CA 3.23Å; V579-R627 WeakPolarHBondContact O-CA 3.22Å; V579-A628 PolarHBondContact N-O 3.05Å; V579-A628 PolarHBondContact O-N 3.49Å; V579-L630 HydrophobicContact CG2-CD1 3.71Å; V579-L630 HydrophobicContact CG2-CG 3.76Å; V579-F646 HydrophobicContact CB-CD1 4.28Å; V579-F646 HydrophobicContact CB-CE1 4.33Å; V579-F646 HydrophobicContact CG1-CD1 3.81Å; V579-F646 HydrophobicContact CG1-CE1 3.63Å; V579-F646 HydrophobicContact CG1-CZ 4.26Å; V579-F646 HydrophobicContact CG2-CD1 3.62Å; V579-F646 HydrophobicContact CG2-CE1 3.71Å
580	V	98.6	Very high	92.2	Very high	6 Å²	6	45 Å²	45	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.4	171.9	173.3	0	0	0	0	108.5	L615 Y625 I626 R627 H644 Q645	V580-L615 HydrophobicContact CG1-CD1 4.26Å; V580-L615 HydrophobicContact CG1-CD2 3.89Å; V580-L615 HydrophobicContact CG2-CD1 4.13Å; V580-Y625 HydrophobicContact CG1-CD2 4.48Å; V580-I626 WeakPolarHBondContact CA-O 3.41Å; V580-R627 HydrophobicContact CG2-CB 4.07Å; V580-R627 HydrophobicContact CG2-CG 3.86Å; V580-H644 CarbonylContact O-C 3.59Å; V580-H644 WeakPolarHBondContact O-CA 3.49Å; V580-Q645 HydrophobicContact CB-CG 3.83Å; V580-Q645 PolarHBondContact N-O 2.8Å; V580-Q645 PolarHBondContact O-N 3.05Å
581	C	98.7	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.8	173.6	-55.5	0	0	0	0	109.6	A371 Y625 I626 V642 H644	A371-C581 HydrophobicContact CB-CB 4.09Å; A371-C581 WeakPolarHBondContact O-CB 3.34Å; C581-Y625 CarbonylContact O-C 3.54Å; C581-Y625 VanDerWaalsContact O-CA 3.27Å; C581-Y625 WeakPolarHBondContact O-CA 3.28Å; C581-Y625 WeakPolarHBondContact O-CB 3.38Å; C581-I626 HydrophobicContact CB-CD1 3.86Å; C581-I626 HydrophobicContact CB-CG1 3.81Å; C581-I626 PolarHBondContact N-O 3.06Å; C581-I626 PolarHBondContact O-N 3.47Å; C581-V642 HydrophobicContact CB-CG1 3.68Å; C581-H644 HydrophobicContact CB-CB 4.1Å; C581-H644 VanDerWaalsContact SG-CB 3.54Å
582	F	98.5	Very high	95.4	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	148.8	173.6	-65.8	-83	0	0	0	110.7	A584 V590 L594 V610 L615 L618 I623 I643	F582-A584 PolarHBondContact O-N 3.33Å; F582-V590 HydrophobicContact CB-CG1 4.41Å; F582-V590 HydrophobicContact CB-CG2 3.89Å; F582-V590 HydrophobicContact CD1-CG1 4.23Å; F582-V590 HydrophobicContact CD1-CG2 3.72Å; F582-V590 HydrophobicContact CD2-CG1 3.7Å; F582-V590 HydrophobicContact CD2-CG2 4.47Å; F582-V590 HydrophobicContact CE1-CG1 4.46Å; F582-V590 HydrophobicContact CE1-CG2 4.39Å; F582-V590 HydrophobicContact CE2-CG1 3.95Å; F582-V590 HydrophobicContact CG-CB 4.44Å; F582-V590 HydrophobicContact CG-CG1 3.85Å; F582-V590 HydrophobicContact CG-CG2 3.77Å; F582-V590 HydrophobicContact CZ-CG1 4.32Å; F582-L594 HydrophobicContact CE2-CD1 4.03Å; F582-L594 HydrophobicContact CZ-CD1 4.28Å; F582-V610 HydrophobicContact CZ-CG1 4.3Å; F582-L615 HydrophobicContact CE1-CD2 4.03Å; F582-L615 HydrophobicContact CZ-CD2 3.92Å; F582-L618 HydrophobicContact CE1-CD1 3.81Å; F582-L618 HydrophobicContact CZ-CD1 3.9Å; F582-I623 HydrophobicContact CD1-CG2 3.66Å; F582-I623 HydrophobicContact CE1-CG2 4.02Å; F582-I643 HydrophobicContact CD2-CB 4.11Å; F582-I643 HydrophobicContact CD2-CG2 3.85Å; F582-I643 WeakPolarHBondContact CD2-O 3.07Å; F582-I643 HydrophobicContact CE2-CG2 4.31Å; F582-I643 PolarHBondContact N-O 3.3Å
583	D	97.6	Very high	96.3	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	19%	0.188	C	C	.	.			trans	-66.7	132.7	177.2	-175.2	-74	0	0	0	110.6	K363 G585 D586 R624	K363-D583 IonicContact NZ-OD2 2.73Å; D583-G585 PolarHBondContact O-N 3.38Å; D583-G585 VanDerWaalsContact O-N 3.1Å; D583-G585 PolarHBondContact OD1-N 3.1Å; D583-D586 PolarHBondContact O-N 2.87Å; D583-R624 HydrophobicContact CB-CB 3.98Å; D583-R624 PolarHBondContact N-O 3.26Å; D583-R624 IonicContact OD1-CZ 3.82Å; D583-R624 VanDerWaalsContact OD1-CZ 3.26Å; D583-R624 IonicContact OD1-NH1 3.98Å; D583-R624 PolarHBondContact OD1-NH1 2.89Å; D583-R624 VanDerWaalsContact OD1-NH1 3.14Å; D583-R624 IonicContact OD1-NH2 3.93Å; D583-R624 PolarHBondContact OD1-NH2 3.19Å; D583-R624 IonicContact OD2-CZ 3.97Å; D583-R624 IonicContact OD2-NH1 3.41Å; D583-R624 PolarHBondContact OD2-NH1 3.02Å; D583-R624 IonicContact OD2-NH2 3.19Å
584	A	96.9	Very high	96.8	Very high	6 Å²	6	33.2 Å²	33.2	5%	0.05	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26	-176.4	0	0	0	0	0	113.9	A368 F582 D586 F587 N641 V642	A368-A584 HydrophobicContact CB-CB 3.91Å; F582-A584 PolarHBondContact O-N 3.33Å; A584-D586 PolarHBondContact O-N 2.86Å; A584-F587 WeakPolarHBondContact O-CB 3.28Å; A584-F587 PolarHBondContact O-N 3.19Å; A584-N641 WeakPolarHBondContact CA-O 3.36Å; A584-N641 HydrophobicContact CB-CB 4.09Å; A584-V642 HydrophobicContact CB-CG2 4.12Å
585	G	95.8	Very high	97	Very high	43 Å²	43	37.7 Å²	37.7	44%	0.443	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-67.8	-18.1	173.7	0	0	0	0	0	114.2	D583	D583-G585 PolarHBondContact O-N 3.38Å; D583-G585 VanDerWaalsContact O-N 3.1Å; D583-G585 PolarHBondContact OD1-N 3.1Å
586	D	96.6	Very high	97	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-104.7	4.8	-179.1	-57.3	-14	0	0	0	112.2	D583 A584 N588 E589 V590 R624	D583-D586 PolarHBondContact O-N 2.87Å; A584-D586 PolarHBondContact O-N 2.86Å; D586-N588 PolarHBondContact O-N 3.08Å; D586-E589 WeakPolarHBondContact O-CB 3.35Å; D586-E589 PolarHBondContact O-N 3.2Å; D586-E589 VanDerWaalsContact O-N 3.08Å; D586-V590 WeakPolarHBondContact O-CG2 3.46Å; D586-V590 PolarHBondContact O-N 2.95Å; D586-R624 IonicContact OD1-CZ 2.98Å; D586-R624 IonicContact OD1-NE 3.64Å; D586-R624 PolarHBondContact OD1-NE 3.4Å; D586-R624 IonicContact OD1-NH2 2.65Å; D586-R624 PolarHBondContact OD1-NH2 3.04Å; D586-R624 VanDerWaalsContact OD2-CB 3.32Å; D586-R624 WeakPolarHBondContact OD2-CB 3.32Å; D586-R624 IonicContact OD2-CZ 2.95Å; D586-R624 PolarHBondContact OD2-N 3.15Å; D586-R624 IonicContact OD2-NE 3.24Å; D586-R624 PolarHBondContact OD2-NE 3.46Å; D586-R624 IonicContact OD2-NH2 3.5Å; D586-R624 PolarHBondContact OD2-NH2 3.23Å
587	F	95.9	Very high	96.8	Very high	21 Å²	21	39.5 Å²	39.5	9%	0.092	20%	0.204	C	C	.	.	H	α-helix	trans	-44.6	-57.9	-174.1	176.3	-104.7	0	0	0	113.9	A543 A584 E589 V590 V591 L598 N641 I643	A543-F587 HydrophobicContact CB-CE2 3.85Å; A584-F587 WeakPolarHBondContact O-CB 3.28Å; A584-F587 PolarHBondContact O-N 3.19Å; F587-E589 VanDerWaalsContact C-N 3.29Å; F587-E589 PolarHBondContact O-N 3.47Å; F587-V590 PolarHBondContact O-N 2.89Å; F587-V591 HydrophobicContact CD1-CG2 4.36Å; F587-V591 HydrophobicContact CE1-CG2 4.12Å; F587-V591 HydrophobicContact CE2-CG2 4.34Å; F587-V591 HydrophobicContact CZ-CG2 4.12Å; F587-V591 WeakPolarHBondContact O-CG2 3.38Å; F587-V591 PolarHBondContact O-N 2.87Å; F587-L598 HydrophobicContact CE1-CD1 4.11Å; F587-L598 HydrophobicContact CZ-CD1 3.75Å; F587-N641 HydrophobicContact CB-CB 4.32Å; F587-N641 HydrophobicContact CD2-CB 4.19Å; F587-N641 WeakPolarHBondContact CD2-O 3.46Å; F587-N641 HydrophobicContact CG-CB 4.17Å; F587-I643 HydrophobicContact CD2-CD1 3.47Å; F587-I643 VanDerWaalsContact CD2-CD1 3.47Å; F587-I643 HydrophobicContact CD2-CG1 3.68Å; F587-I643 HydrophobicContact CE2-CD1 3.72Å; F587-I643 HydrophobicContact CE2-CG1 3.71Å; F587-I643 HydrophobicContact CG-CD1 4.3Å
588	N	95.2	Very high	96.5	Very high	129 Å²	129	41 Å²	41	69%	0.69	21%	0.213	S	C	*	.	H	α-helix	trans	-61	-35.7	-176.4	-68.4	-54.4	0	0	0	113.1	D586 Q592	D586-N588 PolarHBondContact O-N 3.08Å; N588-Q592 PolarHBondContact O-N 2.84Å; N588-Q592 VanDerWaalsContact O-N 3.16Å
589	E	97	Very high	96	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-68.7	-43.4	174.8	-68.5	-66.3	166.7	0	0	110.3	D586 F587 V591 Q592 R593 I623	D586-E589 WeakPolarHBondContact O-CB 3.35Å; D586-E589 PolarHBondContact O-N 3.2Å; D586-E589 VanDerWaalsContact O-N 3.08Å; F587-E589 VanDerWaalsContact C-N 3.29Å; F587-E589 PolarHBondContact O-N 3.47Å; E589-V591 PolarHBondContact O-N 3.35Å; E589-Q592 PolarHBondContact O-N 2.91Å; E589-Q592 VanDerWaalsContact O-N 3.14Å; E589-R593 WeakPolarHBondContact O-CB 3.25Å; E589-R593 VanDerWaalsContact O-CG 3.26Å; E589-R593 WeakPolarHBondContact O-CG 3.47Å; E589-R593 PolarHBondContact O-N 2.81Å; E589-R593 IonicContact OE2-CZ 2.75Å; E589-R593 VanDerWaalsContact OE2-CZ 3.26Å; E589-R593 IonicContact OE2-NE 3.25Å; E589-R593 PolarHBondContact OE2-NE 2.69Å; E589-R593 IonicContact OE2-NH2 3.65Å; E589-R593 PolarHBondContact OE2-NH2 3.14Å; E589-I623 HydrophobicContact CB-CD1 4.14Å; E589-I623 HydrophobicContact CB-CG1 4.19Å
590	V	97.4	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.3	179.7	0	0	0	0	111.6	F582 D586 F587 Q592 R593 L594 I623 I643	F582-V590 HydrophobicContact CB-CG1 4.41Å; F582-V590 HydrophobicContact CB-CG2 3.89Å; F582-V590 HydrophobicContact CD1-CG1 4.23Å; F582-V590 HydrophobicContact CD1-CG2 3.72Å; F582-V590 HydrophobicContact CD2-CG1 3.7Å; F582-V590 HydrophobicContact CD2-CG2 4.47Å; F582-V590 HydrophobicContact CE1-CG1 4.46Å; F582-V590 HydrophobicContact CE1-CG2 4.39Å; F582-V590 HydrophobicContact CE2-CG1 3.95Å; F582-V590 HydrophobicContact CG-CB 4.44Å; F582-V590 HydrophobicContact CG-CG1 3.85Å; F582-V590 HydrophobicContact CG-CG2 3.77Å; F582-V590 HydrophobicContact CZ-CG1 4.32Å; D586-V590 WeakPolarHBondContact O-CG2 3.46Å; D586-V590 PolarHBondContact O-N 2.95Å; F587-V590 PolarHBondContact O-N 2.89Å; V590-Q592 VanDerWaalsContact C-N 3.31Å; V590-Q592 PolarHBondContact O-N 3.05Å; V590-R593 PolarHBondContact O-N 2.92Å; V590-L594 HydrophobicContact CG1-CD1 3.61Å; V590-L594 HydrophobicContact CG1-CG 4.05Å; V590-L594 VanDerWaalsContact O-CB 3.28Å; V590-L594 WeakPolarHBondContact O-CB 3.39Å; V590-L594 PolarHBondContact O-N 2.68Å; V590-I623 HydrophobicContact CG2-CD1 4.2Å; V590-I623 HydrophobicContact CG2-CG1 4.4Å; V590-I623 HydrophobicContact CG2-CG2 3.63Å; V590-I643 HydrophobicContact CB-CD1 3.76Å; V590-I643 HydrophobicContact CG1-CB 4.11Å; V590-I643 HydrophobicContact CG1-CD1 3.66Å; V590-I643 HydrophobicContact CG1-CG1 4.49Å; V590-I643 HydrophobicContact CG1-CG2 3.89Å
591	V	96.3	Very high	95	Very high	27 Å²	27	55.3 Å²	55.3	16%	0.164	28%	0.279	C	S	.	.	H	α-helix	trans	-51.2	-51.2	170.9	173.7	0	0	0	0	110.4	F587 E589 Q595 L596 L598 I643	F587-V591 HydrophobicContact CD1-CG2 4.36Å; F587-V591 HydrophobicContact CE1-CG2 4.12Å; F587-V591 HydrophobicContact CE2-CG2 4.34Å; F587-V591 HydrophobicContact CZ-CG2 4.12Å; F587-V591 WeakPolarHBondContact O-CG2 3.38Å; F587-V591 PolarHBondContact O-N 2.87Å; E589-V591 PolarHBondContact O-N 3.35Å; V591-Q595 WeakPolarHBondContact O-CA 3.38Å; V591-Q595 PolarHBondContact O-N 3.27Å; V591-L596 HydrophobicContact CG1-CB 4.31Å; V591-L596 HydrophobicContact CG2-CD1 4.36Å; V591-L596 PolarHBondContact O-N 2.89Å; V591-L598 HydrophobicContact CG1-CD1 4.33Å; V591-L598 HydrophobicContact CG1-CG 4.28Å; V591-L598 HydrophobicContact CG2-CD1 3.89Å; V591-L598 HydrophobicContact CG2-CD2 4.26Å; V591-L598 HydrophobicContact CG2-CG 4.26Å; V591-I643 HydrophobicContact CG2-CD1 3.76Å
592	Q	96.8	Very high	94.4	Very high	129 Å²	129	57.5 Å²	57.5	60%	0.603	29%	0.293	S	S	*	.	H	α-helix	trans	-68.1	-45.2	-177.7	-163.6	-169.5	38.5	0	0	113.1	N588 E589 V590 Q595	N588-Q592 PolarHBondContact O-N 2.84Å; N588-Q592 VanDerWaalsContact O-N 3.16Å; E589-Q592 PolarHBondContact O-N 2.91Å; E589-Q592 VanDerWaalsContact O-N 3.14Å; V590-Q592 VanDerWaalsContact C-N 3.31Å; V590-Q592 PolarHBondContact O-N 3.05Å; Q592-Q595 PolarHBondContact O-N 2.83Å
593	R	96.4	Very high	93.8	Very high	78 Å²	78	63.6 Å²	63.6	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-78.6	-20.3	-175.7	-56.3	-51.9	166.6	69.8	9.2	114.1	E589 V590 K614 L618 E621 I623	E589-R593 WeakPolarHBondContact O-CB 3.25Å; E589-R593 VanDerWaalsContact O-CG 3.26Å; E589-R593 WeakPolarHBondContact O-CG 3.47Å; E589-R593 PolarHBondContact O-N 2.81Å; E589-R593 IonicContact OE2-CZ 2.75Å; E589-R593 VanDerWaalsContact OE2-CZ 3.26Å; E589-R593 IonicContact OE2-NE 3.25Å; E589-R593 PolarHBondContact OE2-NE 2.69Å; E589-R593 IonicContact OE2-NH2 3.65Å; E589-R593 PolarHBondContact OE2-NH2 3.14Å; V590-R593 PolarHBondContact O-N 2.92Å; R593-K614 PolarHBondContact O-NZ 2.62Å; R593-L618 HydrophobicContact CB-CD2 3.54Å; R593-L618 HydrophobicContact CG-CD2 4.17Å; R593-E621 IonicContact CZ-OE2 3.64Å; R593-E621 VanDerWaalsContact NH1-CB 3.3Å; R593-E621 IonicContact NH1-OE2 3.72Å; R593-E621 PolarHBondContact NH1-OE2 2.76Å; R593-I623 HydrophobicContact CB-CD1 4.32Å; R593-I623 HydrophobicContact CG-CD1 3.81Å
594	L	96.8	Very high	93.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-96.7	-12.1	171.3	-64.5	-173.5	0	0	0	113.4	A541 F582 V590 L596 Q608 V610 K614 L618	A541-L594 HydrophobicContact CB-CD1 3.77Å; F582-L594 HydrophobicContact CE2-CD1 4.03Å; F582-L594 HydrophobicContact CZ-CD1 4.28Å; V590-L594 HydrophobicContact CG1-CD1 3.61Å; V590-L594 HydrophobicContact CG1-CG 4.05Å; V590-L594 VanDerWaalsContact O-CB 3.28Å; V590-L594 WeakPolarHBondContact O-CB 3.39Å; V590-L594 PolarHBondContact O-N 2.68Å; L594-L596 HydrophobicContact CB-CD2 4.03Å; L594-L596 HydrophobicContact CB-CG 4.09Å; L594-Q608 PolarHBondContact O-NE2 3.5Å; L594-V610 HydrophobicContact CD1-CG2 3.89Å; L594-V610 HydrophobicContact CD2-CG2 3.88Å; L594-K614 HydrophobicContact CD2-CG 4.46Å; L594-L618 HydrophobicContact CD2-CD1 4.08Å
595	Q	95.8	Very high	93.2	Very high	152 Å²	152	65.6 Å²	65.6	71%	0.71	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	54.4	-173.5	-58.8	176.4	2.5	0	0	111	V591 Q592	V591-Q595 WeakPolarHBondContact O-CA 3.38Å; V591-Q595 PolarHBondContact O-N 3.27Å; Q592-Q595 PolarHBondContact O-N 2.83Å
596	L	95.3	Very high	93.1	Very high	14 Å²	14	63.6 Å²	63.6	7%	0.073	32%	0.323	C	S	.	.			trans	-74.1	127	173.6	-57.2	-177.2	0	0	0	109.8	A541 V591 L594 L598 Q605 C606 I643	A541-L596 HydrophobicContact CB-CD2 4.39Å; V591-L596 HydrophobicContact CG1-CB 4.31Å; V591-L596 HydrophobicContact CG2-CD1 4.36Å; V591-L596 PolarHBondContact O-N 2.89Å; L594-L596 HydrophobicContact CB-CD2 4.03Å; L594-L596 HydrophobicContact CB-CG 4.09Å; L596-L598 HydrophobicContact CB-CD2 4.09Å; L596-L598 HydrophobicContact CD1-CD2 4.35Å; L596-L598 PolarHBondContact O-N 3.34Å; L596-Q605 WeakPolarHBondContact CA-O 3.41Å; L596-C606 HydrophobicContact CD2-CB 3.42Å; L596-C606 VanDerWaalsContact CD2-CB 3.42Å; L596-I643 HydrophobicContact CD1-CD1 3.58Å; L596-I643 HydrophobicContact CD1-CG1 3.85Å; L596-I643 HydrophobicContact CD1-CG2 3.87Å
597	D	93.4	Very high	92.9	Very high	85 Å²	85	67.7 Å²	67.7	46%	0.455	35%	0.348	S	S	.	.			trans	-87.6	99.7	163.1	-163.7	-28.6	0	0	0	107.9	Y599 E600 Q605	D597-Y599 PolarHBondContact O-N 2.89Å; D597-Y599 PolarHBondContact OD1-N 3.39Å; D597-Y599 VanDerWaalsContact OD1-N 3.12Å; D597-E600 HydrophobicContact CB-CB 4.44Å; D597-E600 HydrophobicContact CB-CG 4.13Å; D597-E600 PolarHBondContact O-N 3.06Å; D597-Q605 PolarHBondContact N-O 3.47Å; D597-Q605 VanDerWaalsContact N-O 3.08Å; D597-Q605 WeakPolarHBondContact O-CG 3.3Å
598	L	91.2	Very high	92.7	Very high	37 Å²	37	69.6 Å²	69.6	19%	0.194	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.5	-178	-65.8	-173.1	0	0	0	113.5	W552 F587 V591 L596	W552-L598 WeakPolarHBondContact CZ3-O 3.36Å; F587-L598 HydrophobicContact CE1-CD1 4.11Å; F587-L598 HydrophobicContact CZ-CD1 3.75Å; V591-L598 HydrophobicContact CG1-CD1 4.33Å; V591-L598 HydrophobicContact CG1-CG 4.28Å; V591-L598 HydrophobicContact CG2-CD1 3.89Å; V591-L598 HydrophobicContact CG2-CD2 4.26Å; V591-L598 HydrophobicContact CG2-CG 4.26Å; L596-L598 HydrophobicContact CB-CD2 4.09Å; L596-L598 HydrophobicContact CD1-CD2 4.35Å; L596-L598 PolarHBondContact O-N 3.34Å
599	Y	88.1	Confident	92.8	Very high	169 Å²	169	66.8 Å²	66.8	66%	0.663	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-3.9	173.6	-59.6	-76.8	0	0	0	113.3	W552 D597	W552-Y599 WeakPolarHBondContact CH2-O 3.42Å; D597-Y599 PolarHBondContact O-N 2.89Å; D597-Y599 PolarHBondContact OD1-N 3.39Å; D597-Y599 VanDerWaalsContact OD1-N 3.12Å
600	E	89.9	Confident	92.8	Very high	86 Å²	86	63 Å²	63	40%	0.402	32%	0.32	S	S	.	.	S	Bend	trans	-87.2	149.7	169.6	-76.7	-82.9	159.1	0	0	110.5	D597 S604 Q605	D597-E600 HydrophobicContact CB-CB 4.44Å; D597-E600 HydrophobicContact CB-CG 4.13Å; D597-E600 PolarHBondContact O-N 3.06Å; E600-S604 WeakPolarHBondContact OE2-CB 3.48Å; E600-S604 PolarHBondContact OE2-OG 3.38Å; E600-Q605 HydrophobicContact CB-CG 4.46Å; E600-Q605 WeakPolarHBondContact O-CG 3.21Å; E600-Q605 PolarHBondContact O-NE2 3.12Å
601	P	86.1	Confident	92.8	Very high	71 Å²	71	66.9 Å²	66.9	46%	0.461	34%	0.34	S	S	.	.			trans	-63.3	156.5	171.8	27.6	-34.9	0	0	0	111.2	V603 S604 Q605	P601-V603 PolarHBondContact O-N 2.72Å; P601-S604 PolarHBondContact O-N 2.82Å; P601-S604 PolarHBondContact O-OG 3.38Å; P601-Q605 PolarHBondContact O-N 3.1Å
602	P	86.3	Confident	92.9	Very high	46 Å²	46	69.3 Å²	69.3	30%	0.299	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.5	-37.4	-175.3	-39	39.6	0	0	0	117.3	H542 S604	H542-P602 HydrophobicContact CB-CB 4.01Å; P602-S604 VanDerWaalsContact C-N 3.28Å; P602-S604 PolarHBondContact O-N 2.99Å
603	V	84.4	Confident	92.9	Very high	128 Å²	128	66.3 Å²	66.3	78%	0.776	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.6	-178.1	-176.1	0	0	0	0	113.2	P601	P601-V603 PolarHBondContact O-N 2.72Å
604	S	88.8	Confident	93	Very high	49 Å²	49	64 Å²	64	34%	0.343	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-13.3	-178.9	33.2	0	0	0	0	115.6	E600 P601 P602 C606	E600-S604 WeakPolarHBondContact OE2-CB 3.48Å; E600-S604 PolarHBondContact OE2-OG 3.38Å; P601-S604 PolarHBondContact O-N 2.82Å; P601-S604 PolarHBondContact O-OG 3.38Å; P602-S604 VanDerWaalsContact C-N 3.28Å; P602-S604 PolarHBondContact O-N 2.99Å; S604-C606 PolarHBondContact O-N 2.61Å; S604-C606 VanDerWaalsContact O-N 3.1Å
605	Q	92.9	Very high	93.1	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.019	34%	0.342	C	S	.	.	S	Bend	trans	-46.2	-44.2	177.8	-70.1	-174.4	4.1	0	0	113.4	H542 A543 L596 D597 E600 P601	H542-Q605 HydrophobicContact CB-CB 4.44Å; H542-Q605 VanDerWaalsContact CB-OE1 3.32Å; A543-Q605 PolarHBondContact O-NE2 3.21Å; A543-Q605 PolarHBondContact O-OE1 2.57Å; L596-Q605 WeakPolarHBondContact CA-O 3.41Å; D597-Q605 PolarHBondContact N-O 3.47Å; D597-Q605 VanDerWaalsContact N-O 3.08Å; D597-Q605 WeakPolarHBondContact O-CG 3.3Å; E600-Q605 HydrophobicContact CB-CG 4.46Å; E600-Q605 WeakPolarHBondContact O-CG 3.21Å; E600-Q605 PolarHBondContact O-NE2 3.12Å; P601-Q605 PolarHBondContact O-N 3.1Å
606	C	95.4	Very high	93.2	Very high	1 Å²	1	60 Å²	60	1%	0.007	33%	0.325	C	S	.	.			trans	-110.3	129.7	177.1	-159.3	0	0	0	0	114	K540 A541 L596 S604 Q608	K540-C606 HydrophobicContact CB-CB 4.28Å; K540-C606 WeakPolarHBondContact CD-O 3.34Å; K540-C606 PolarHBondContact NZ-O 3.21Å; A541-C606 HydrophobicContact CB-CB 4.1Å; A541-C606 WeakPolarHBondContact O-CB 3.43Å; L596-C606 HydrophobicContact CD2-CB 3.42Å; L596-C606 VanDerWaalsContact CD2-CB 3.42Å; S604-C606 PolarHBondContact O-N 2.61Å; S604-C606 VanDerWaalsContact O-N 3.1Å; C606-Q608 WeakPolarHBondContact SG-CG 3.09Å; C606-Q608 PolarHBondContact SG-O 3.32Å; C606-Q608 VanDerWaalsContact SG-O 3.37Å
607	V	91	Very high	93.3	Very high	113 Å²	113	63.1 Å²	63.1	69%	0.685	34%	0.34	S	S	*	.	S	Bend	trans	-76.8	-28.6	172.6	-65.1	0	0	0	0	113.1	K540	K540-V607 VanDerWaalsContact NZ-C 3.34Å; K540-V607 PolarHBondContact NZ-O 2.83Å
608	Q	92.9	Very high	93.5	Very high	61 Å²	61	59 Å²	59	29%	0.285	32%	0.318	S	S	.	.	S	Bend	trans	-103.7	159.4	-173.6	58	-171.1	-45.8	0	0	113.1	K540 L594 C606	K540-Q608 WeakPolarHBondContact CD-O 3.39Å; L594-Q608 PolarHBondContact O-NE2 3.5Å; C606-Q608 WeakPolarHBondContact SG-CG 3.09Å; C606-Q608 PolarHBondContact SG-O 3.32Å; C606-Q608 VanDerWaalsContact SG-O 3.37Å
609	W	96.4	Very high	93.8	Very high	71 Å²	71	61.8 Å²	61.8	27%	0.269	33%	0.326	S	S	.	.			trans	-96.1	138.4	163.5	171.8	-101.8	0	0	0	108.2	R538 Q645 K647	R538-W609 HydrophobicContact CB-CE3 3.96Å; R538-W609 HydrophobicContact CB-CH2 4.21Å; R538-W609 HydrophobicContact CB-CZ3 3.67Å; R538-W609 HydrophobicContact CG-CE3 4.35Å; R538-W609 HydrophobicContact CG-CH2 4.18Å; R538-W609 HydrophobicContact CG-CZ3 4.08Å; W609-Q645 HydrophobicContact CH2-CB 4.44Å; W609-Q645 HydrophobicContact CH2-CG 4.14Å; W609-Q645 HydrophobicContact CZ3-CB 4.06Å; W609-Q645 HydrophobicContact CZ3-CG 4.17Å; W609-K647 HydrophobicContact CH2-CB 3.94Å; W609-K647 HydrophobicContact CZ2-CB 4.26Å
610	V	97.7	Very high	94.3	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.012	33%	0.33	C	S	.	.			trans	-90.8	109.1	178.1	-166.3	0	0	0	0	108.6	A541 F582 L594 K614 L615 L618 Q645	A541-V610 HydrophobicContact CB-CG2 4.17Å; F582-V610 HydrophobicContact CZ-CG1 4.3Å; L594-V610 HydrophobicContact CD1-CG2 3.89Å; L594-V610 HydrophobicContact CD2-CG2 3.88Å; V610-K614 HydrophobicContact CG1-CB 3.96Å; V610-K614 HydrophobicContact CG1-CG 3.76Å; V610-L615 HydrophobicContact CG1-CD2 3.61Å; V610-L615 HydrophobicContact CG1-CG 3.85Å; V610-L618 HydrophobicContact CG1-CD1 4.38Å; V610-Q645 VanDerWaalsContact N-OE1 3.11Å; V610-Q645 PolarHBondContact O-NE2 3.47Å
611	D	97.1	Very high	94.6	Very high	82 Å²	82	62.6 Å²	62.6	44%	0.439	33%	0.327	S	S	.	.			trans	-95.7	174.8	175	72.4	-1.6	0	0	0	112.1	A613 K614 L615	D611-A613 PolarHBondContact O-N 3.21Å; D611-A613 WeakPolarHBondContact OD1-CB 3.23Å; D611-A613 PolarHBondContact OD1-N 3.32Å; D611-A613 VanDerWaalsContact OD1-N 3.14Å; D611-K614 PolarHBondContact O-N 3.39Å; D611-K614 VanDerWaalsContact O-N 3.12Å; D611-K614 WeakPolarHBondContact OD1-CB 3.36Å; D611-K614 PolarHBondContact OD1-N 3.05Å; D611-L615 WeakPolarHBondContact O-CG 3.32Å; D611-L615 PolarHBondContact O-N 3.18Å
612	D	97.6	Very high	95.2	Very high	77 Å²	77	61.3 Å²	61.3	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-26.1	178.5	-71	-51.9	0	0	0	112.7	N616 R627	D612-N616 WeakPolarHBondContact O-CB 3.43Å; D612-N616 PolarHBondContact O-N 3.3Å; D612-N616 PolarHBondContact O-ND2 3.3Å; D612-R627 IonicContact OD1-CZ 3.17Å; D612-R627 IonicContact OD1-NH1 2.77Å; D612-R627 PolarHBondContact OD1-NH1 3.2Å; D612-R627 IonicContact OD2-CZ 3.41Å; D612-R627 IonicContact OD2-NH1 3.11Å; D612-R627 PolarHBondContact OD2-NH1 2.97Å
613	A	97.8	Very high	95.7	Very high	67 Å²	67	59.3 Å²	59.3	55%	0.554	31%	0.314	S	S	*	.	H	α-helix	trans	-70.7	-43.3	174.9	0	0	0	0	0	111.4	D611 N616 Q617	D611-A613 PolarHBondContact O-N 3.21Å; D611-A613 WeakPolarHBondContact OD1-CB 3.23Å; D611-A613 PolarHBondContact OD1-N 3.32Å; D611-A613 VanDerWaalsContact OD1-N 3.14Å; A613-N616 PolarHBondContact O-N 2.94Å; A613-Q617 PolarHBondContact O-N 3.25Å
614	K	97.9	Very high	96.4	Very high	29 Å²	29	56.5 Å²	56.5	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-68.6	-38.8	174.8	-176.1	58.5	173	170.3	0	111.9	R593 L594 V610 D611 Q617 L618	R593-K614 PolarHBondContact O-NZ 2.62Å; L594-K614 HydrophobicContact CD2-CG 4.46Å; V610-K614 HydrophobicContact CG1-CB 3.96Å; V610-K614 HydrophobicContact CG1-CG 3.76Å; D611-K614 PolarHBondContact O-N 3.39Å; D611-K614 VanDerWaalsContact O-N 3.12Å; D611-K614 WeakPolarHBondContact OD1-CB 3.36Å; D611-K614 PolarHBondContact OD1-N 3.05Å; K614-Q617 WeakPolarHBondContact O-CB 3.3Å; K614-Q617 PolarHBondContact O-N 3.48Å; K614-Q617 VanDerWaalsContact O-N 3.12Å; K614-L618 HydrophobicContact CD-CD1 4.49Å; K614-L618 HydrophobicContact CD-CG 4.32Å; K614-L618 HydrophobicContact CG-CD1 4.18Å; K614-L618 HydrophobicContact CG-CG 4.47Å; K614-L618 WeakPolarHBondContact O-CG 3.14Å; K614-L618 PolarHBondContact O-N 3.41Å
615	L	98.3	Very high	96.8	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-44.8	172.3	-69.4	177.6	0	0	0	111.9	V580 F582 V610 D611 Q617 L618 R619 Y625	V580-L615 HydrophobicContact CG1-CD1 4.26Å; V580-L615 HydrophobicContact CG1-CD2 3.89Å; V580-L615 HydrophobicContact CG2-CD1 4.13Å; F582-L615 HydrophobicContact CE1-CD2 4.03Å; F582-L615 HydrophobicContact CZ-CD2 3.92Å; V610-L615 HydrophobicContact CG1-CD2 3.61Å; V610-L615 HydrophobicContact CG1-CG 3.85Å; D611-L615 WeakPolarHBondContact O-CG 3.32Å; D611-L615 PolarHBondContact O-N 3.18Å; L615-Q617 VanDerWaalsContact C-N 3.27Å; L615-Q617 PolarHBondContact O-N 2.61Å; L615-L618 PolarHBondContact O-N 2.74Å; L615-R619 WeakPolarHBondContact O-CB 3.35Å; L615-R619 PolarHBondContact O-N 3.2Å; L615-Y625 HydrophobicContact CB-CE1 3.83Å; L615-Y625 HydrophobicContact CB-CE2 4.36Å; L615-Y625 HydrophobicContact CD1-CD2 4.3Å; L615-Y625 HydrophobicContact CD1-CE2 3.92Å; L615-Y625 HydrophobicContact CD2-CD1 4.03Å; L615-Y625 HydrophobicContact CD2-CD2 4.19Å; L615-Y625 HydrophobicContact CD2-CE1 4.19Å; L615-Y625 HydrophobicContact CD2-CE2 4.38Å; L615-Y625 HydrophobicContact CD2-CG 4.04Å; L615-Y625 HydrophobicContact CG-CE1 4.47Å; L615-Y625 HydrophobicContact CG-CE2 4.45Å
616	N	98.2	Very high	97.1	Very high	66 Å²	66	54.2 Å²	54.2	35%	0.353	27%	0.273	S	S	.	.	H	α-helix	trans	-67.4	-23.8	174.1	-79.3	-65.9	0	0	0	113.2	D612 A613 R620	D612-N616 WeakPolarHBondContact O-CB 3.43Å; D612-N616 PolarHBondContact O-N 3.3Å; D612-N616 PolarHBondContact O-ND2 3.3Å; A613-N616 PolarHBondContact O-N 2.94Å; N616-R620 WeakPolarHBondContact O-CG 3.08Å; N616-R620 VanDerWaalsContact O-CZ 3.3Å; N616-R620 PolarHBondContact O-NH1 3.13Å
617	Q	97.9	Very high	97.2	Very high	79 Å²	79	58.2 Å²	58.2	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-61.9	167.1	-176.6	-162.9	-14.9	0	0	110.1	A613 K614 L615 R619 R620 E621	A613-Q617 PolarHBondContact O-N 3.25Å; K614-Q617 WeakPolarHBondContact O-CB 3.3Å; K614-Q617 PolarHBondContact O-N 3.48Å; K614-Q617 VanDerWaalsContact O-N 3.12Å; L615-Q617 VanDerWaalsContact C-N 3.27Å; L615-Q617 PolarHBondContact O-N 2.61Å; Q617-R619 PolarHBondContact O-N 3.16Å; Q617-R619 VanDerWaalsContact O-N 3.13Å; Q617-R620 WeakPolarHBondContact O-CB 3.07Å; Q617-R620 PolarHBondContact O-N 3.46Å; Q617-E621 WeakPolarHBondContact CG-OE1 3.22Å; Q617-E621 PolarHBondContact NE2-OE1 2.81Å; Q617-E621 PolarHBondContact O-N 3.45Å
618	L	98	Very high	97.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.1	-37.7	-175.1	-64.9	168.9	0	0	0	111.6	F582 R593 L594 V610 K614 L615 R620 E621 G622 I623	F582-L618 HydrophobicContact CE1-CD1 3.81Å; F582-L618 HydrophobicContact CZ-CD1 3.9Å; R593-L618 HydrophobicContact CB-CD2 3.54Å; R593-L618 HydrophobicContact CG-CD2 4.17Å; L594-L618 HydrophobicContact CD2-CD1 4.08Å; V610-L618 HydrophobicContact CG1-CD1 4.38Å; K614-L618 HydrophobicContact CD-CD1 4.49Å; K614-L618 HydrophobicContact CD-CG 4.32Å; K614-L618 HydrophobicContact CG-CD1 4.18Å; K614-L618 HydrophobicContact CG-CG 4.47Å; K614-L618 WeakPolarHBondContact O-CG 3.14Å; K614-L618 PolarHBondContact O-N 3.41Å; L615-L618 PolarHBondContact O-N 2.74Å; L618-R620 PolarHBondContact O-N 3.27Å; L618-E621 CarbonylContact O-C 3.49Å; L618-E621 WeakPolarHBondContact O-CA 3.28Å; L618-E621 WeakPolarHBondContact O-CB 3.49Å; L618-E621 PolarHBondContact O-N 3.19Å; L618-G622 PolarHBondContact O-N 3.41Å; L618-I623 HydrophobicContact CB-CB 4.17Å; L618-I623 HydrophobicContact CB-CD1 4.25Å; L618-I623 HydrophobicContact CB-CG2 4.28Å; L618-I623 HydrophobicContact CD2-CD1 3.78Å; L618-I623 PolarHBondContact O-N 3.45Å
619	R	98	Very high	97.6	Very high	94 Å²	94	55.6 Å²	55.6	36%	0.355	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-35.8	178.1	-170.9	59.7	-176.3	115.7	1.5	114.5	N327 G328 L615 Q617 E621 G622 I623 Y625	N327-R619 WeakPolarHBondContact O-CD 3.14Å; N327-R619 WeakPolarHBondContact O-CG 3.48Å; N327-R619 PolarHBondContact O-NE 3.46Å; G328-R619 WeakPolarHBondContact O-CD 3.47Å; G328-R619 PolarHBondContact O-NE 3.48Å; L615-R619 WeakPolarHBondContact O-CB 3.35Å; L615-R619 PolarHBondContact O-N 3.2Å; Q617-R619 PolarHBondContact O-N 3.16Å; Q617-R619 VanDerWaalsContact O-N 3.13Å; R619-E621 PolarHBondContact O-N 2.98Å; R619-G622 PolarHBondContact NH1-O 3.27Å; R619-G622 PolarHBondContact O-N 3.14Å; R619-I623 WeakPolarHBondContact CA-O 3.03Å; R619-I623 VanDerWaalsContact CD-O 3.3Å; R619-I623 WeakPolarHBondContact CD-O 3.45Å; R619-Y625 HydrophobicContact CB-CE1 4.17Å
620	R	97.8	Very high	97.7	Very high	198 Å²	198	52.2 Å²	52.2	75%	0.747	26%	0.257	S	S	*	.	H	α-helix	trans	-70.4	-23.2	173.7	-64.3	175.3	-167.1	111.7	-1.8	111.9	N616 Q617 L618 G622	N616-R620 WeakPolarHBondContact O-CG 3.08Å; N616-R620 VanDerWaalsContact O-CZ 3.3Å; N616-R620 PolarHBondContact O-NH1 3.13Å; Q617-R620 WeakPolarHBondContact O-CB 3.07Å; Q617-R620 PolarHBondContact O-N 3.46Å; L618-R620 PolarHBondContact O-N 3.27Å; R620-G622 VanDerWaalsContact C-N 3.26Å
621	E	96.9	Very high	97.6	Very high	74 Å²	74	52.8 Å²	52.8	35%	0.346	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.4	176.5	-54	173.6	-176.7	0	0	112.6	R593 Q617 L618 R619	R593-E621 IonicContact CZ-OE2 3.64Å; R593-E621 VanDerWaalsContact NH1-CB 3.3Å; R593-E621 IonicContact NH1-OE2 3.72Å; R593-E621 PolarHBondContact NH1-OE2 2.76Å; Q617-E621 WeakPolarHBondContact CG-OE1 3.22Å; Q617-E621 PolarHBondContact NE2-OE1 2.81Å; Q617-E621 PolarHBondContact O-N 3.45Å; L618-E621 CarbonylContact O-C 3.49Å; L618-E621 WeakPolarHBondContact O-CA 3.28Å; L618-E621 WeakPolarHBondContact O-CB 3.49Å; L618-E621 PolarHBondContact O-N 3.19Å; R619-E621 PolarHBondContact O-N 2.98Å
622	G	97.1	Very high	97.6	Very high	45 Å²	45	49.6 Å²	49.6	46%	0.464	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	-30.6	175.8	0	0	0	0	0	114.7	L618 R619 R620	L618-G622 PolarHBondContact O-N 3.41Å; R619-G622 PolarHBondContact NH1-O 3.27Å; R619-G622 PolarHBondContact O-N 3.14Å; R620-G622 VanDerWaalsContact C-N 3.26Å
623	I	98.2	Very high	97.6	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.231	C	C	.	.			trans	-57.5	133.7	-171.3	-68.4	165.1	0	0	0	112	F582 E589 V590 R593 L618 R619	F582-I623 HydrophobicContact CD1-CG2 3.66Å; F582-I623 HydrophobicContact CE1-CG2 4.02Å; E589-I623 HydrophobicContact CB-CD1 4.14Å; E589-I623 HydrophobicContact CB-CG1 4.19Å; V590-I623 HydrophobicContact CG2-CD1 4.2Å; V590-I623 HydrophobicContact CG2-CG1 4.4Å; V590-I623 HydrophobicContact CG2-CG2 3.63Å; R593-I623 HydrophobicContact CB-CD1 4.32Å; R593-I623 HydrophobicContact CG-CD1 3.81Å; L618-I623 HydrophobicContact CB-CB 4.17Å; L618-I623 HydrophobicContact CB-CD1 4.25Å; L618-I623 HydrophobicContact CB-CG2 4.28Å; L618-I623 HydrophobicContact CD2-CD1 3.78Å; L618-I623 PolarHBondContact O-N 3.45Å; R619-I623 WeakPolarHBondContact CA-O 3.03Å; R619-I623 VanDerWaalsContact CD-O 3.3Å; R619-I623 WeakPolarHBondContact CD-O 3.45Å
624	R	98.3	Very high	97.6	Very high	68 Å²	68	44.3 Å²	44.3	26%	0.257	21%	0.206	S	C	.	.			trans	-102.4	142.3	-179.8	-60.3	163.6	-65.5	129.8	5.2	110.6	G328 D583 D586	G328-R624 VanDerWaalsContact O-CA 3.23Å; G328-R624 WeakPolarHBondContact O-CA 3.23Å; D583-R624 HydrophobicContact CB-CB 3.98Å; D583-R624 PolarHBondContact N-O 3.26Å; D583-R624 IonicContact OD1-CZ 3.82Å; D583-R624 VanDerWaalsContact OD1-CZ 3.26Å; D583-R624 IonicContact OD1-NH1 3.98Å; D583-R624 PolarHBondContact OD1-NH1 2.89Å; D583-R624 VanDerWaalsContact OD1-NH1 3.14Å; D583-R624 IonicContact OD1-NH2 3.93Å; D583-R624 PolarHBondContact OD1-NH2 3.19Å; D583-R624 IonicContact OD2-CZ 3.97Å; D583-R624 IonicContact OD2-NH1 3.41Å; D583-R624 PolarHBondContact OD2-NH1 3.02Å; D583-R624 IonicContact OD2-NH2 3.19Å; D586-R624 IonicContact OD1-CZ 2.98Å; D586-R624 IonicContact OD1-NE 3.64Å; D586-R624 PolarHBondContact OD1-NE 3.4Å; D586-R624 IonicContact OD1-NH2 2.65Å; D586-R624 PolarHBondContact OD1-NH2 3.04Å; D586-R624 VanDerWaalsContact OD2-CB 3.32Å; D586-R624 WeakPolarHBondContact OD2-CB 3.32Å; D586-R624 IonicContact OD2-CZ 2.95Å; D586-R624 PolarHBondContact OD2-N 3.15Å; D586-R624 IonicContact OD2-NE 3.24Å; D586-R624 PolarHBondContact OD2-NE 3.46Å; D586-R624 IonicContact OD2-NH2 3.5Å; D586-R624 PolarHBondContact OD2-NH2 3.23Å
625	Y	98.6	Very high	97.6	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	167.6	177.3	68	-93.3	0	0	0	110.8	G328 G329 G330 V580 C581 L615 R619	G328-Y625 CarbonylContact C-O 3.57Å; G328-Y625 VanDerWaalsContact CA-CE1 3.43Å; G328-Y625 VanDerWaalsContact CA-CZ 3.5Å; G328-Y625 WeakPolarHBondContact CA-O 3.45Å; G328-Y625 PolarHBondContact O-N 3.37Å; G329-Y625 PolarHBondContact N-O 2.95Å; G330-Y625 PolarHBondContact N-O 3.11Å; G330-Y625 VanDerWaalsContact N-O 3.12Å; V580-Y625 HydrophobicContact CG1-CD2 4.48Å; C581-Y625 CarbonylContact O-C 3.54Å; C581-Y625 VanDerWaalsContact O-CA 3.27Å; C581-Y625 WeakPolarHBondContact O-CA 3.28Å; C581-Y625 WeakPolarHBondContact O-CB 3.38Å; L615-Y625 HydrophobicContact CB-CE1 3.83Å; L615-Y625 HydrophobicContact CB-CE2 4.36Å; L615-Y625 HydrophobicContact CD1-CD2 4.3Å; L615-Y625 HydrophobicContact CD1-CE2 3.92Å; L615-Y625 HydrophobicContact CD2-CD1 4.03Å; L615-Y625 HydrophobicContact CD2-CD2 4.19Å; L615-Y625 HydrophobicContact CD2-CE1 4.19Å; L615-Y625 HydrophobicContact CD2-CE2 4.38Å; L615-Y625 HydrophobicContact CD2-CG 4.04Å; L615-Y625 HydrophobicContact CG-CE1 4.47Å; L615-Y625 HydrophobicContact CG-CE2 4.45Å; R619-Y625 HydrophobicContact CB-CE1 4.17Å
626	I	98.4	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.9	164.1	66.4	83.2	0	0	0	108.5	Q325 G330 V332 A371 L372 V580 C581 A628	Q325-I626 HydrophobicContact CB-CB 4.22Å; Q325-I626 HydrophobicContact CB-CG2 4.07Å; Q325-I626 HydrophobicContact CG-CB 4.37Å; G330-I626 VanDerWaalsContact C-CG2 3.43Å; V332-I626 HydrophobicContact CG2-CB 3.6Å; V332-I626 HydrophobicContact CG2-CD1 4.04Å; V332-I626 HydrophobicContact CG2-CG1 3.79Å; V332-I626 HydrophobicContact CG2-CG2 3.62Å; A371-I626 HydrophobicContact CB-CG1 3.96Å; A371-I626 HydrophobicContact CB-CG2 4.15Å; L372-I626 HydrophobicContact CB-CD1 3.91Å; L372-I626 HydrophobicContact CB-CG1 4.29Å; L372-I626 HydrophobicContact CD2-CD1 3.85Å; V580-I626 WeakPolarHBondContact CA-O 3.41Å; C581-I626 HydrophobicContact CB-CD1 3.86Å; C581-I626 HydrophobicContact CB-CG1 3.81Å; C581-I626 PolarHBondContact N-O 3.06Å; C581-I626 PolarHBondContact O-N 3.47Å; I626-A628 HydrophobicContact CD1-CB 4.04Å
627	R	97.5	Very high	97.7	Very high	85 Å²	85	40 Å²	40	32%	0.321	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	115.3	166.6	-178.7	175.9	178.1	-174.6	-2.1	107	D578 V579 V580 D612	D578-R627 IonicContact OD1-CZ 3.46Å; D578-R627 IonicContact OD1-NE 3.38Å; D578-R627 PolarHBondContact OD1-NE 3.29Å; D578-R627 IonicContact OD1-NH2 3.14Å; D578-R627 IonicContact OD2-CZ 2.72Å; D578-R627 IonicContact OD2-NE 3.58Å; D578-R627 IonicContact OD2-NH2 2.97Å; D578-R627 PolarHBondContact OD2-NH2 3Å; V579-R627 CarbonylContact O-C 3.54Å; V579-R627 VanDerWaalsContact O-CA 3.23Å; V579-R627 WeakPolarHBondContact O-CA 3.22Å; V580-R627 HydrophobicContact CG2-CB 4.07Å; V580-R627 HydrophobicContact CG2-CG 3.86Å; D612-R627 IonicContact OD1-CZ 3.17Å; D612-R627 IonicContact OD1-NH1 2.77Å; D612-R627 PolarHBondContact OD1-NH1 3.2Å; D612-R627 IonicContact OD2-CZ 3.41Å; D612-R627 IonicContact OD2-NH1 3.11Å; D612-R627 PolarHBondContact OD2-NH1 2.97Å
628	A	96.4	Very high	97.7	Very high	8 Å²	8	36.4 Å²	36.4	7%	0.066	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.2	-171.5	0	0	0	0	0	110.7	L372 V579 I626	L372-A628 HydrophobicContact CD2-CB 3.84Å; V579-A628 PolarHBondContact N-O 3.05Å; V579-A628 PolarHBondContact O-N 3.49Å; I626-A628 HydrophobicContact CD1-CB 4.04Å
629	Q	96.8	Very high	97.7	Very high	112 Å²	112	36.4 Å²	36.4	52%	0.523	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.9	173.2	-71.5	179.6	-20.2	0	0	108.9	I575 K577	I575-Q629 HydrophobicContact CG2-CB 4.02Å; I575-Q629 HydrophobicContact CG2-CG 4.15Å; K577-Q629 WeakPolarHBondContact O-CA 3.34Å
630	L	97.8	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.6	170.1	-57.1	179.9	0	0	0	109.2	L372 V374 L561 T576 K577 V579 D634 Y636 F646	L372-L630 HydrophobicContact CD2-CD2 4.39Å; V374-L630 HydrophobicContact CB-CD2 4.28Å; V374-L630 HydrophobicContact CG1-CD2 3.72Å; V374-L630 HydrophobicContact CG2-CD2 3.48Å; V374-L630 VanDerWaalsContact CG2-CD2 3.48Å; L561-L630 HydrophobicContact CD1-CB 3.53Å; L561-L630 HydrophobicContact CD1-CD1 3.92Å; L561-L630 HydrophobicContact CD1-CG 4.38Å; T576-L630 PolarHBondContact N-O 2.91Å; T576-L630 PolarHBondContact OG1-O 3.02Å; K577-L630 HydrophobicContact CB-CB 4.33Å; K577-L630 PolarHBondContact N-O 3.2Å; K577-L630 VanDerWaalsContact N-O 3.08Å; K577-L630 PolarHBondContact O-N 2.86Å; V579-L630 HydrophobicContact CG2-CD1 3.71Å; V579-L630 HydrophobicContact CG2-CG 3.76Å; L630-D634 WeakPolarHBondContact CA-OD2 2.85Å; L630-Y636 HydrophobicContact CD1-CD1 3.61Å; L630-Y636 HydrophobicContact CD1-CD2 4.28Å; L630-Y636 HydrophobicContact CD1-CE1 4Å; L630-Y636 HydrophobicContact CD1-CG 3.75Å; L630-F646 HydrophobicContact CD1-CE1 4.26Å
631	C	96.1	Very high	97.5	Very high	13 Å²	13	26.1 Å²	26.1	9%	0.088	13%	0.131	C	C	.	.			trans	-103.7	-175.5	-174.7	-64	0	0	0	0	112.3	P573 R574 T576 D634	P573-C631 HydrophobicContact CB-CB 4.18Å; R574-C631 CarbonylContact O-C 3.52Å; R574-C631 VanDerWaalsContact O-C 3.3Å; R574-C631 VanDerWaalsContact O-CA 3.23Å; R574-C631 WeakPolarHBondContact O-CA 3.42Å; T576-C631 PolarHBondContact OG1-O 3.17Å; T576-C631 VanDerWaalsContact OG1-O 3.07Å; C631-D634 PolarHBondContact N-OD2 3.41Å
632	D	95.8	Very high	97.5	Very high	16 Å²	16	22.8 Å²	22.8	9%	0.086	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	150.6	157.7	-171.2	31.6	0	0	0	110.5	K562 A563 H565 P573 R574 D634	K562-D632 WeakPolarHBondContact CA-OD1 3.48Å; A563-D632 HydrophobicContact CB-CB 3.79Å; A563-D632 PolarHBondContact N-OD1 2.99Å; H565-D632 IonicContact CE1-OD2 2.78Å; H565-D632 PolarHBondContact CE1-OD2 3.45Å; H565-D632 VanDerWaalsContact CE1-OD2 3.24Å; H565-D632 IonicContact NE2-OD2 3.39Å; P573-D632 HydrophobicContact CB-CB 4.36Å; R574-D632 HydrophobicContact CB-CB 4.46Å; R574-D632 PolarHBondContact O-N 3.49Å; D632-D634 PolarHBondContact O-N 3.04Å
633	D	97.1	Very high	97.6	Very high	29 Å²	29	20.7 Å²	20.7	16%	0.155	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	7.3	-175.9	-68.1	-27.6	0	0	0	116.9	G377 A378 A379 S380 L561 K562	G377-D633 CarbonylContact C-O 3.57Å; G377-D633 WeakPolarHBondContact CA-O 3.43Å; G377-D633 PolarHBondContact N-O 2.86Å; A378-D633 PolarHBondContact N-O 3.15Å; A379-D633 WeakPolarHBondContact CB-O 3.31Å; A379-D633 PolarHBondContact N-O 2.93Å; S380-D633 WeakPolarHBondContact CA-OD1 3.36Å; S380-D633 VanDerWaalsContact CA-OD2 3.24Å; S380-D633 WeakPolarHBondContact CA-OD2 3.46Å; S380-D633 WeakPolarHBondContact CB-OD2 3.37Å; S380-D633 PolarHBondContact N-OD1 3.44Å; L561-D633 WeakPolarHBondContact O-CA 3.13Å; L561-D633 PolarHBondContact O-N 2.76Å; L561-D633 VanDerWaalsContact O-N 3.14Å; K562-D633 WeakPolarHBondContact CD-OD1 3.21Å; K562-D633 WeakPolarHBondContact CE-OD1 3.41Å; K562-D633 IonicContact NZ-OD1 2.79Å; K562-D633 PolarHBondContact NZ-OD1 2.8Å
634	D	98.5	Very high	97.6	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	9%	0.094	C	C	.	.			trans	-74.2	132.7	176.6	-78.4	5.3	0	0	0	112.2	V374 H376 G377 L561 L630 C631 D632	V374-D634 HydrophobicContact CG1-CB 4.08Å; H376-D634 VanDerWaalsContact CA-OD1 3.23Å; H376-D634 WeakPolarHBondContact CA-OD1 3.42Å; H376-D634 IonicContact CE1-OD2 1.82Å; H376-D634 PolarHBondContact CE1-OD2 2.87Å; H376-D634 IonicContact CG-OD1 3.66Å; H376-D634 IonicContact ND1-OD1 3.91Å; H376-D634 PolarHBondContact ND1-OD1 2.74Å; H376-D634 IonicContact ND1-OD2 3.6Å; H376-D634 PolarHBondContact ND1-OD2 2.9Å; G377-D634 PolarHBondContact N-OD1 3.03Å; L561-D634 PolarHBondContact N-O 3.47Å; L630-D634 WeakPolarHBondContact CA-OD2 2.85Å; C631-D634 PolarHBondContact N-OD2 3.41Å; D632-D634 PolarHBondContact O-N 3.04Å
635	I	98.8	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133	160.9	-59.9	177.4	0	0	0	107.7	V374 I375 A378 A379 L464 V560 F637	V374-I635 CarbonylContact C-O 3.57Å; V374-I635 WeakPolarHBondContact CA-O 3.47Å; I375-I635 PolarHBondContact N-O 2.91Å; I375-I635 PolarHBondContact O-N 3.24Å; A378-I635 HydrophobicContact CB-CB 4.4Å; A378-I635 HydrophobicContact CB-CD1 3.65Å; A378-I635 HydrophobicContact CB-CG1 3.98Å; A379-I635 HydrophobicContact CB-CD1 4.47Å; A379-I635 HydrophobicContact CB-CG1 4.01Å; L464-I635 HydrophobicContact CD1-CD1 4.08Å; L464-I635 HydrophobicContact CD2-CD1 4.02Å; L464-I635 HydrophobicContact CD2-CG1 4.48Å; L464-I635 HydrophobicContact CD2-CG2 3.65Å; L464-I635 HydrophobicContact CG-CD1 3.99Å; V560-I635 HydrophobicContact CG1-CG1 4.28Å; V560-I635 HydrophobicContact CG2-CG1 4.39Å; I635-F637 HydrophobicContact CG2-CE1 4.31Å; I635-F637 HydrophobicContact CG2-CE2 3.78Å; I635-F637 HydrophobicContact CG2-CZ 3.56Å
636	Y	98.8	Very high	97.5	Very high	6 Å²	6	18.1 Å²	18.1	2%	0.024	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.9	179.5	69.8	-88.6	0	0	0	113	L372 T373 G559 L561 L630 I638 F646	L372-Y636 HydrophobicContact CD1-CD2 4.26Å; T373-Y636 VanDerWaalsContact O-CA 3.27Å; T373-Y636 WeakPolarHBondContact O-CA 3.49Å; T373-Y636 WeakPolarHBondContact O-CB 3.49Å; G559-Y636 PolarHBondContact N-O 2.89Å; G559-Y636 WeakPolarHBondContact O-CD1 3.45Å; G559-Y636 PolarHBondContact O-N 3.42Å; L561-Y636 HydrophobicContact CD1-CD1 4.26Å; L561-Y636 HydrophobicContact CD1-CE1 4.13Å; L561-Y636 HydrophobicContact CD2-CE1 3.82Å; L561-Y636 HydrophobicContact CG-CD1 4.18Å; L561-Y636 HydrophobicContact CG-CE1 3.87Å; L630-Y636 HydrophobicContact CD1-CD1 3.61Å; L630-Y636 HydrophobicContact CD1-CD2 4.28Å; L630-Y636 HydrophobicContact CD1-CE1 4Å; L630-Y636 HydrophobicContact CD1-CG 3.75Å; Y636-I638 HydrophobicContact CD2-CD1 4.27Å; Y636-I638 HydrophobicContact CD2-CG1 4.17Å; Y636-I638 HydrophobicContact CE2-CD1 4.04Å; Y636-I638 HydrophobicContact CE2-CG1 4.38Å; Y636-F646 HydrophobicContact CE2-CE1 4.22Å; Y636-F646 AromaticContact CE2-CZ 3.71Å; Y636-F646 HydrophobicContact CE2-CZ 3.71Å; Y636-F646 AromaticContact CZ-CZ 3.87Å
637	F	98.8	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.2	178.8	-43.6	-100	0	0	0	110.4	F355 L356 T359 F360 T373 I375 F463 T467 A557 V558 I635	F355-F637 HydrophobicContact CE1-CE2 4.41Å; L356-F637 HydrophobicContact CD2-CD1 4.13Å; L356-F637 HydrophobicContact CD2-CE1 3.77Å; L356-F637 HydrophobicContact CD2-CE2 4.26Å; L356-F637 HydrophobicContact CD2-CZ 3.85Å; T359-F637 HydrophobicContact CG2-CB 3.71Å; T359-F637 HydrophobicContact CG2-CD2 4.43Å; T359-F637 HydrophobicContact CG2-CG 4.14Å; F360-F637 HydrophobicContact CE1-CB 4.25Å; F360-F637 HydrophobicContact CZ-CB 4.08Å; F360-F637 HydrophobicContact CZ-CD1 4.04Å; F360-F637 HydrophobicContact CZ-CG 4.39Å; T373-F637 PolarHBondContact N-O 2.82Å; T373-F637 PolarHBondContact O-N 3.43Å; T373-F637 WeakPolarHBondContact OG1-CB 3.43Å; T373-F637 WeakPolarHBondContact OG1-CD2 3.43Å; I375-F637 HydrophobicContact CD1-CE2 3.81Å; I375-F637 HydrophobicContact CD1-CZ 4.28Å; I375-F637 HydrophobicContact CG1-CE2 4.09Å; F463-F637 HydrophobicContact CB-CZ 4.08Å; T467-F637 HydrophobicContact CG2-CD1 4.29Å; T467-F637 HydrophobicContact CG2-CE1 3.88Å; A557-F637 WeakPolarHBondContact O-CA 3.43Å; V558-F637 HydrophobicContact CB-CD1 4.3Å; V558-F637 HydrophobicContact CG1-CD1 3.7Å; V558-F637 HydrophobicContact CG1-CE1 3.64Å; V558-F637 HydrophobicContact CG2-CD1 3.95Å; V558-F637 HydrophobicContact CG2-CE1 4.4Å; I635-F637 HydrophobicContact CG2-CE1 4.31Å; I635-F637 HydrophobicContact CG2-CE2 3.78Å; I635-F637 HydrophobicContact CG2-CZ 3.56Å
638	I	98.5	Very high	97.5	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.7	178.4	-62.7	-179.9	0	0	0	107.2	L372 A556 A557 Y636 V642 F646	L372-I638 HydrophobicContact CD1-CD1 4.41Å; L372-I638 HydrophobicContact CD1-CG1 3.79Å; A556-I638 CarbonylContact C-O 3.13Å; A556-I638 VanDerWaalsContact CA-O 3.24Å; A556-I638 WeakPolarHBondContact CA-O 3.45Å; A556-I638 WeakPolarHBondContact CB-O 3.39Å; A557-I638 HydrophobicContact CB-CB 4.47Å; A557-I638 PolarHBondContact N-O 2.79Å; A557-I638 PolarHBondContact O-N 3.47Å; Y636-I638 HydrophobicContact CD2-CD1 4.27Å; Y636-I638 HydrophobicContact CD2-CG1 4.17Å; Y636-I638 HydrophobicContact CE2-CD1 4.04Å; Y636-I638 HydrophobicContact CE2-CG1 4.38Å; I638-V642 HydrophobicContact CG2-CB 3.71Å; I638-V642 HydrophobicContact CG2-CG1 3.7Å; I638-F646 HydrophobicContact CD1-CE2 4.4Å; I638-F646 HydrophobicContact CD1-CZ 3.95Å
639	P	97.6	Very high	97.6	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.095	C	C	.	.			trans	-63.4	164.4	175.8	-25.8	37	0	0	0	113.4	T359 F360 A368 V642	T359-P639 WeakPolarHBondContact O-CG 3.35Å; F360-P639 HydrophobicContact CD1-CB 4.33Å; F360-P639 HydrophobicContact CD1-CG 4.23Å; A368-P639 HydrophobicContact CB-CB 3.47Å; A368-P639 VanDerWaalsContact CB-CB 3.47Å; A368-P639 HydrophobicContact CB-CG 3.92Å; P639-V642 HydrophobicContact CB-CG2 4.4Å; P639-V642 WeakPolarHBondContact O-CB 3.46Å; P639-V642 WeakPolarHBondContact O-CG2 3.33Å
640	R	95.6	Very high	97.6	Very high	37 Å²	37	14.4 Å²	14.4	14%	0.14	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	160	173.5	73.8	173.4	170.2	178.2	-5.7	112.3	E362 S554 T555 V642 Y664	E362-R640 WeakPolarHBondContact OE1-CG 3.45Å; E362-R640 IonicContact OE1-CZ 3.77Å; E362-R640 IonicContact OE1-NE 2.72Å; E362-R640 PolarHBondContact OE1-NE 3.25Å; E362-R640 IonicContact OE1-NH2 2.73Å; E362-R640 PolarHBondContact OE1-NH2 2.83Å; E362-R640 IonicContact OE2-CZ 3.33Å; E362-R640 IonicContact OE2-NE 3.39Å; E362-R640 IonicContact OE2-NH2 3.86Å; E362-R640 PolarHBondContact OE2-NH2 3.01Å; S554-R640 WeakPolarHBondContact O-CB 3.38Å; T555-R640 WeakPolarHBondContact O-CA 3.32Å; R640-V642 PolarHBondContact O-N 2.8Å; R640-V642 VanDerWaalsContact O-N 3.15Å; R640-Y664 HydrophobicContact CB-CD2 4.44Å; R640-Y664 HydrophobicContact CB-CE2 3.73Å; R640-Y664 HydrophobicContact CG-CD2 4.17Å; R640-Y664 HydrophobicContact CG-CE1 4.04Å; R640-Y664 HydrophobicContact CG-CE2 3.62Å; R640-Y664 PolarHBondContact N-OH 3.29Å; R640-Y664 PolarHBondContact NH1-O 2.91Å
641	N	95.4	Very high	97.6	Very high	39 Å²	39	14.4 Å²	14.4	21%	0.209	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	12.7	-177.7	-54.3	-37.4	0	0	0	114.1	G366 S554 A584 F587	G366-N641 PolarHBondContact O-ND2 3.47Å; G366-N641 VanDerWaalsContact O-ND2 3.17Å; S554-N641 WeakPolarHBondContact CB-OD1 3.29Å; S554-N641 PolarHBondContact OG-N 2.58Å; A584-N641 WeakPolarHBondContact CA-O 3.36Å; A584-N641 HydrophobicContact CB-CB 4.09Å; F587-N641 HydrophobicContact CB-CB 4.32Å; F587-N641 HydrophobicContact CD2-CB 4.19Å; F587-N641 WeakPolarHBondContact CD2-O 3.46Å; F587-N641 HydrophobicContact CG-CB 4.17Å
642	V	97.5	Very high	97.7	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	7%	0.071	C	C	.	.			trans	-94	107.3	172.6	174.5	0	0	0	0	110.5	A371 C581 A584 I638 P639 R640 H644	A371-V642 WeakPolarHBondContact O-CG1 3.24Å; C581-V642 HydrophobicContact CB-CG1 3.68Å; A584-V642 HydrophobicContact CB-CG2 4.12Å; I638-V642 HydrophobicContact CG2-CB 3.71Å; I638-V642 HydrophobicContact CG2-CG1 3.7Å; P639-V642 HydrophobicContact CB-CG2 4.4Å; P639-V642 WeakPolarHBondContact O-CB 3.46Å; P639-V642 WeakPolarHBondContact O-CG2 3.33Å; R640-V642 PolarHBondContact O-N 2.8Å; R640-V642 VanDerWaalsContact O-N 3.15Å; V642-H644 HydrophobicContact CG1-CB 4.37Å; V642-H644 PolarHBondContact O-ND1 3.47Å
643	I	98.2	Very high	97.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.067	C	C	.	.			trans	-74.6	132.7	167	-68	154.9	0	0	0	108.5	A541 H542 A543 F582 F587 V590 V591 L596	A541-I643 HydrophobicContact CB-CG2 4.12Å; H542-I643 CarbonylContact O-C 3.48Å; H542-I643 VanDerWaalsContact O-CA 3.25Å; H542-I643 WeakPolarHBondContact O-CA 3.19Å; A543-I643 HydrophobicContact CB-CG1 3.8Å; F582-I643 HydrophobicContact CD2-CB 4.11Å; F582-I643 HydrophobicContact CD2-CG2 3.85Å; F582-I643 WeakPolarHBondContact CD2-O 3.07Å; F582-I643 HydrophobicContact CE2-CG2 4.31Å; F582-I643 PolarHBondContact N-O 3.3Å; F587-I643 HydrophobicContact CD2-CD1 3.47Å; F587-I643 VanDerWaalsContact CD2-CD1 3.47Å; F587-I643 HydrophobicContact CD2-CG1 3.68Å; F587-I643 HydrophobicContact CE2-CD1 3.72Å; F587-I643 HydrophobicContact CE2-CG1 3.71Å; F587-I643 HydrophobicContact CG-CD1 4.3Å; V590-I643 HydrophobicContact CB-CD1 3.76Å; V590-I643 HydrophobicContact CG1-CB 4.11Å; V590-I643 HydrophobicContact CG1-CD1 3.66Å; V590-I643 HydrophobicContact CG1-CG1 4.49Å; V590-I643 HydrophobicContact CG1-CG2 3.89Å; V591-I643 HydrophobicContact CG2-CD1 3.76Å; L596-I643 HydrophobicContact CD1-CD1 3.58Å; L596-I643 HydrophobicContact CD1-CG1 3.85Å; L596-I643 HydrophobicContact CD1-CG2 3.87Å
644	H	98.3	Very high	97.8	Very high	3 Å²	3	11.7 Å²	11.7	1%	0.014	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160	-175.3	65.7	-85	0	0	0	113.2	A541 H542 D544 V580 C581 V642 F646	A541-H644 CarbonylContact C-O 3.55Å; A541-H644 VanDerWaalsContact CA-O 3.27Å; A541-H644 WeakPolarHBondContact CA-O 3.3Å; H542-H644 AromaticContact CD2-CE1 3.99Å; H542-H644 AromaticContact CD2-NE2 3.96Å; H542-H644 AromaticContact CE1-CD2 3.85Å; H542-H644 AromaticContact CE1-NE2 3.54Å; H542-H644 PolarHBondContact N-O 3.47Å; H542-H644 PolarHBondContact ND1-O 2.76Å; H542-H644 AromaticContact NE2-CE1 3.78Å; H542-H644 AromaticContact NE2-NE2 3.3Å; H542-H644 PolarHBondContact NE2-NE2 3.08Å; H542-H644 PolarHBondContact O-N 3.22Å; D544-H644 IonicContact OD2-CE1 2.75Å; D544-H644 PolarHBondContact OD2-CE1 2.89Å; D544-H644 IonicContact OD2-NE2 3.2Å; V580-H644 CarbonylContact O-C 3.59Å; V580-H644 WeakPolarHBondContact O-CA 3.49Å; C581-H644 HydrophobicContact CB-CB 4.1Å; C581-H644 VanDerWaalsContact SG-CB 3.54Å; V642-H644 HydrophobicContact CG1-CB 4.37Å; V642-H644 PolarHBondContact O-ND1 3.47Å; H644-F646 AromaticContact CD2-CD2 3.89Å; H644-F646 AromaticContact CD2-CE2 3.34Å; H644-F646 WeakPolarHBondContact CD2-CE2 3.38Å; H644-F646 AromaticContact NE2-CE2 3.49Å; H644-F646 WeakPolarHBondContact NE2-CE2 3.4Å
645	Q	97.8	Very high	97.8	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.019	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.4	175	63.9	168.9	24.7	0	0	111.2	T539 V580 W609 V610	T539-Q645 WeakPolarHBondContact O-CB 3.48Å; V580-Q645 HydrophobicContact CB-CG 3.83Å; V580-Q645 PolarHBondContact N-O 2.8Å; V580-Q645 PolarHBondContact O-N 3.05Å; W609-Q645 HydrophobicContact CH2-CB 4.44Å; W609-Q645 HydrophobicContact CH2-CG 4.14Å; W609-Q645 HydrophobicContact CZ3-CB 4.06Å; W609-Q645 HydrophobicContact CZ3-CG 4.17Å; V610-Q645 VanDerWaalsContact N-OE1 3.11Å; V610-Q645 PolarHBondContact O-NE2 3.47Å
646	F	98	Very high	97.8	Very high	17 Å²	17	12.3 Å²	12.3	8%	0.075	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.1	-179.8	-71.2	-79.9	0	0	0	111.2	R538 T539 K577 V579 L630 Y636 I638 H644	R538-F646 CarbonylContact C-O 3.3Å; R538-F646 WeakPolarHBondContact CA-O 3.2Å; T539-F646 PolarHBondContact N-O 3.36Å; T539-F646 PolarHBondContact O-N 3.29Å; K577-F646 HydrophobicContact CB-CD1 4.38Å; K577-F646 HydrophobicContact CD-CD1 3.59Å; K577-F646 HydrophobicContact CD-CE1 4Å; K577-F646 HydrophobicContact CD-CG 4.41Å; V579-F646 HydrophobicContact CB-CD1 4.28Å; V579-F646 HydrophobicContact CB-CE1 4.33Å; V579-F646 HydrophobicContact CG1-CD1 3.81Å; V579-F646 HydrophobicContact CG1-CE1 3.63Å; V579-F646 HydrophobicContact CG1-CZ 4.26Å; V579-F646 HydrophobicContact CG2-CD1 3.62Å; V579-F646 HydrophobicContact CG2-CE1 3.71Å; L630-F646 HydrophobicContact CD1-CE1 4.26Å; Y636-F646 HydrophobicContact CE2-CE1 4.22Å; Y636-F646 AromaticContact CE2-CZ 3.71Å; Y636-F646 HydrophobicContact CE2-CZ 3.71Å; Y636-F646 AromaticContact CZ-CZ 3.87Å; I638-F646 HydrophobicContact CD1-CE2 4.4Å; I638-F646 HydrophobicContact CD1-CZ 3.95Å; H644-F646 AromaticContact CD2-CD2 3.89Å; H644-F646 AromaticContact CD2-CE2 3.34Å; H644-F646 WeakPolarHBondContact CD2-CE2 3.38Å; H644-F646 AromaticContact NE2-CE2 3.49Å; H644-F646 WeakPolarHBondContact NE2-CE2 3.4Å
647	K	98.3	Very high	97.8	Very high	50 Å²	50	12.2 Å²	12.2	22%	0.217	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.7	160.1	173	179.6	-177.9	168.4	0	109	E496 R538 K577 D578 W609 V649	E496-K647 WeakPolarHBondContact OE1-CE 3.24Å; E496-K647 IonicContact OE1-NZ 3.98Å; E496-K647 PolarHBondContact OE1-NZ 2.93Å; E496-K647 WeakPolarHBondContact OE2-CE 3.46Å; E496-K647 IonicContact OE2-NZ 3.62Å; R538-K647 HydrophobicContact CG-CB 4.46Å; R538-K647 HydrophobicContact CG-CG 4.39Å; K577-K647 CarbonylContact C-O 3.14Å; K577-K647 VanDerWaalsContact CA-O 3.26Å; K577-K647 WeakPolarHBondContact CA-O 3.28Å; D578-K647 HydrophobicContact CB-CB 4.26Å; D578-K647 PolarHBondContact N-O 2.96Å; D578-K647 PolarHBondContact O-N 3.25Å; W609-K647 HydrophobicContact CH2-CB 3.94Å; W609-K647 HydrophobicContact CZ2-CB 4.26Å; K647-V649 HydrophobicContact CG-CG2 4.49Å
648	T	98.4	Very high	97.7	Very high	7 Å²	7	14.6 Å²	14.6	4%	0.043	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.6	171.4	-43.7	0	0	0	0	109.7	R493 E496 D537 S650 V652	R493-T648 HydrophobicContact CB-CG2 3.75Å; E496-T648 PolarHBondContact N-O 2.89Å; D537-T648 VanDerWaalsContact CG-OG1 3.28Å; D537-T648 PolarHBondContact O-N 2.83Å; D537-T648 WeakPolarHBondContact OD1-CB 3.5Å; D537-T648 PolarHBondContact OD1-OG1 3.31Å; T648-S650 WeakPolarHBondContact CG2-O 3.46Å; T648-V652 HydrophobicContact CG2-CG1 3.74Å
649	V	97.3	Very high	97.6	Very high	55 Å²	55	14.4 Å²	14.4	33%	0.333	8%	0.075	S	C	.	.			trans	-96	-33.4	-178.1	-179.4	0	0	0	0	111.9	I575 T576 D578 K647	I575-V649 HydrophobicContact CG2-CB 4.47Å; I575-V649 HydrophobicContact CG2-CG1 4.45Å; T576-V649 PolarHBondContact O-N 3.19Å; D578-V649 HydrophobicContact CB-CG2 3.68Å; K647-V649 HydrophobicContact CG-CG2 4.49Å
650	S	96.8	Very high	97.4	Very high	15 Å²	15	17.5 Å²	17.5	11%	0.105	9%	0.086	C	C	.	.	S	Bend	trans	-140.6	159.9	174.5	-86.8	0	0	0	0	110.7	G427 T576 T648 V652	G427-S650 CarbonylContact O-C 3.52Å; G427-S650 WeakPolarHBondContact O-CA 3.04Å; G427-S650 VanDerWaalsContact O-CB 3.3Å; G427-S650 WeakPolarHBondContact O-CB 3.28Å; G427-S650 PolarHBondContact O-OG 2.85Å; T576-S650 PolarHBondContact O-N 3.06Å; T648-S650 WeakPolarHBondContact CG2-O 3.46Å; S650-V652 PolarHBondContact O-N 3.13Å
651	A	97.4	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.			trans	-55.9	125.3	179.1	0	0	0	0	0	111.5	Y424 G427 Y429 R493 V564	Y424-A651 HydrophobicContact CE2-CB 4.4Å; G427-A651 WeakPolarHBondContact O-CB 3.27Å; G427-A651 PolarHBondContact O-N 3.48Å; Y429-A651 HydrophobicContact CD1-CB 3.55Å; Y429-A651 HydrophobicContact CE1-CB 3.84Å; R493-A651 WeakPolarHBondContact O-CA 3.47Å; V564-A651 HydrophobicContact CB-CB 3.93Å; V564-A651 HydrophobicContact CG2-CB 4.25Å; V564-A651 PolarHBondContact N-O 3.25Å
652	V	98.1	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.6	-169.7	63.1	0	0	0	0	111.1	V492 R493 L561 K562 T576 T648 S650	V492-V652 WeakPolarHBondContact CA-O 3.39Å; R493-V652 HydrophobicContact CB-CG1 4.33Å; R493-V652 PolarHBondContact N-O 3.41Å; R493-V652 PolarHBondContact O-N 2.97Å; R493-V652 VanDerWaalsContact O-N 3.11Å; L561-V652 HydrophobicContact CB-CG2 4.21Å; L561-V652 HydrophobicContact CD2-CG2 4.17Å; K562-V652 WeakPolarHBondContact O-CG2 3.38Å; T576-V652 HydrophobicContact CG2-CB 3.89Å; T576-V652 HydrophobicContact CG2-CG2 3.71Å; T648-V652 HydrophobicContact CG2-CG1 3.74Å; S650-V652 PolarHBondContact O-N 3.13Å
653	C	98.2	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.7	162.1	-58.2	0	0	0	0	107.8	F385 L386 W491 V492 K562	F385-C653 HydrophobicContact CB-CB 3.91Å; F385-C653 HydrophobicContact CD2-CB 3.69Å; F385-C653 HydrophobicContact CG-CB 4.23Å; L386-C653 VanDerWaalsContact CB-SG 3.57Å; W491-C653 WeakPolarHBondContact O-CA 3.42Å; V492-C653 HydrophobicContact CG2-CB 4.37Å; K562-C653 PolarHBondContact N-O 3.01Å; K562-C653 PolarHBondContact O-N 2.8Å
654	S	98.6	Very high	96.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.8	177.6	-60.8	0	0	0	0	109.9	M490 W491 V560 L561 K577	M490-S654 WeakPolarHBondContact CA-O 3.46Å; W491-S654 PolarHBondContact N-O 3.18Å; W491-S654 PolarHBondContact O-N 2.97Å; V560-S654 WeakPolarHBondContact O-CA 3.44Å; L561-S654 WeakPolarHBondContact CD2-OG 3.46Å; K577-S654 VanDerWaalsContact CE-OG 3.25Å; K577-S654 WeakPolarHBondContact CE-OG 3.25Å; K577-S654 PolarHBondContact NZ-OG 2.98Å
655	L	98.4	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.5	156.4	-59.7	172.9	0	0	0	109	F385 L439 F454 L458 I489 M490 G559 V560 W657	F385-L655 HydrophobicContact CD2-CD1 4.44Å; F385-L655 HydrophobicContact CD2-CG 4.05Å; F385-L655 HydrophobicContact CE1-CD1 4.08Å; F385-L655 HydrophobicContact CE2-CD1 3.71Å; F385-L655 HydrophobicContact CE2-CD2 4.47Å; F385-L655 HydrophobicContact CE2-CG 3.55Å; F385-L655 HydrophobicContact CZ-CD1 3.48Å; F385-L655 VanDerWaalsContact CZ-CD1 3.48Å; F385-L655 HydrophobicContact CZ-CG 3.9Å; L439-L655 HydrophobicContact CD1-CD2 3.55Å; F454-L655 HydrophobicContact CE1-CD1 3.84Å; F454-L655 HydrophobicContact CE1-CD2 4.17Å; F454-L655 HydrophobicContact CZ-CD1 4Å; L458-L655 HydrophobicContact CD1-CD1 4.2Å; L458-L655 HydrophobicContact CD2-CD1 3.69Å; I489-L655 VanDerWaalsContact O-CA 3.31Å; I489-L655 WeakPolarHBondContact O-CA 3.49Å; M490-L655 HydrophobicContact CB-CD2 3.61Å; M490-L655 HydrophobicContact CG-CD2 3.71Å; M490-L655 HydrophobicContact SD-CD2 4.4Å; G559-L655 WeakPolarHBondContact CA-O 3.45Å; V560-L655 HydrophobicContact CB-CB 4.17Å; V560-L655 HydrophobicContact CB-CD1 4.32Å; V560-L655 PolarHBondContact N-O 2.92Å; V560-L655 PolarHBondContact O-N 3.5Å; L655-W657 HydrophobicContact CB-CZ3 4.28Å
656	A	98.3	Very high	93.2	Very high	17 Å²	17	28.6 Å²	28.6	14%	0.14	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.1	160.3	0	0	0	0	0	112.5	P488 I489 W491 V558	P488-A656 WeakPolarHBondContact CA-O 3.24Å; I489-A656 WeakPolarHBondContact CG1-O 3.42Å; I489-A656 PolarHBondContact N-O 3.33Å; I489-A656 PolarHBondContact O-N 3.33Å; W491-A656 HydrophobicContact CH2-CB 3.59Å; W491-A656 HydrophobicContact CZ3-CB 3.7Å; V558-A656 WeakPolarHBondContact O-CA 3.32Å; V558-A656 VanDerWaalsContact O-CB 3.31Å; V558-A656 WeakPolarHBondContact O-CB 3.17Å
657	W	98.1	Very high	90.9	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	161	169.6	54.3	93.9	0	0	0	110.6	L458 L464 T467 L468 P469 D486 P488 A557 V558 V560 L655	L458-W657 HydrophobicContact CD1-CZ3 4.3Å; L464-W657 HydrophobicContact CB-CH2 4.4Å; L464-W657 HydrophobicContact CB-CZ2 4.3Å; L464-W657 HydrophobicContact CD1-CH2 4.27Å; L464-W657 HydrophobicContact CD2-CH2 3.8Å; L464-W657 HydrophobicContact CD2-CZ2 3.86Å; L464-W657 HydrophobicContact CG-CH2 4.37Å; T467-W657 PolarHBondContact O-NE1 2.95Å; L468-W657 HydrophobicContact CD2-CD2 4.1Å; L468-W657 HydrophobicContact CD2-CE3 4.43Å; L468-W657 HydrophobicContact CD2-CH2 4.07Å; L468-W657 HydrophobicContact CD2-CZ2 3.72Å; L468-W657 HydrophobicContact CD2-CZ3 4.43Å; L468-W657 HydrophobicContact CG-CZ2 3.96Å; P469-W657 HydrophobicContact CG-CB 4.22Å; P469-W657 HydrophobicContact CG-CG 4.37Å; D486-W657 CarbonylContact O-C 3.14Å; D486-W657 VanDerWaalsContact O-CA 3.22Å; D486-W657 WeakPolarHBondContact O-CA 3.48Å; D486-W657 WeakPolarHBondContact O-CB 3.36Å; P488-W657 HydrophobicContact CB-CD2 4.48Å; P488-W657 HydrophobicContact CB-CE3 3.73Å; P488-W657 HydrophobicContact CB-CZ3 4.29Å; P488-W657 HydrophobicContact CG-CB 4.43Å; P488-W657 HydrophobicContact CG-CD2 4.03Å; P488-W657 HydrophobicContact CG-CE3 3.61Å; P488-W657 HydrophobicContact CG-CG 4.42Å; P488-W657 HydrophobicContact CG-CZ3 4.1Å; A557-W657 WeakPolarHBondContact CA-O 3.47Å; V558-W657 HydrophobicContact CB-CD2 4.16Å; V558-W657 HydrophobicContact CB-CG 4.42Å; V558-W657 HydrophobicContact CB-CZ2 4.06Å; V558-W657 HydrophobicContact CG1-CH2 4.32Å; V558-W657 HydrophobicContact CG1-CZ2 3.7Å; V558-W657 PolarHBondContact N-O 3.02Å; V558-W657 PolarHBondContact O-N 3.15Å; V558-W657 VanDerWaalsContact O-N 3.08Å; V560-W657 HydrophobicContact CG2-CH2 4.04Å; V560-W657 HydrophobicContact CG2-CZ3 4.21Å; L655-W657 HydrophobicContact CB-CZ3 4.28Å
658	H	97.2	Very high	88.4	Confident	50 Å²	50	33.2 Å²	33.2	23%	0.231	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	154.7	169	-57.2	141.4	0	0	0	111.1	D486 V546 T555 A556	D486-H658 HydrophobicContact CB-CB 4.08Å; D486-H658 PolarHBondContact O-N 3.4Å; V546-H658 HydrophobicContact CG1-CB 4.32Å; T555-H658 HydrophobicContact CG2-CB 3.72Å; A556-H658 CarbonylContact O-C 3.54Å; A556-H658 WeakPolarHBondContact O-CA 3.17Å
659	I	95.8	Very high	85.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	115.2	171.4	-172.4	-170	0	0	0	111.2	F360 T467 L473 T555 A556 V558 L661	F360-I659 HydrophobicContact CZ-CG2 4.47Å; T467-I659 HydrophobicContact CG2-CD1 4.31Å; T467-I659 WeakPolarHBondContact O-CD1 3.47Å; L473-I659 HydrophobicContact CB-CD1 4.18Å; T555-I659 PolarHBondContact OG1-O 3.5Å; A556-I659 HydrophobicContact CB-CG2 3.71Å; A556-I659 PolarHBondContact O-N 2.96Å; V558-I659 HydrophobicContact CG2-CG2 3.99Å; I659-L661 HydrophobicContact CD1-CD2 3.67Å; I659-L661 HydrophobicContact CD1-CG 4.01Å; I659-L661 HydrophobicContact CG1-CD2 4.4Å; I659-L661 HydrophobicContact CG1-CG 4.26Å; I659-L661 HydrophobicContact CG2-CD1 4.46Å; I659-L661 HydrophobicContact CG2-CG 4.3Å; I659-L661 PolarHBondContact O-N 3.02Å; I659-L661 VanDerWaalsContact O-N 3.13Å
660	R	94.8	Very high	83	Confident	65 Å²	65	39 Å²	39	25%	0.245	21%	0.207	C	C	.	.			trans	-80.1	89.2	173.8	-49.8	-175.9	-161.5	-156.7	0.8	108.3	S474 S475 D486 V546	S474-R660 CarbonylContact C-O 3.52Å; S474-R660 WeakPolarHBondContact CA-O 3.44Å; S475-R660 PolarHBondContact N-O 3.05Å; S475-R660 WeakPolarHBondContact OG-CB 3.46Å; S475-R660 PolarHBondContact OG-O 2.95Å; S475-R660 VanDerWaalsContact OG-O 3.08Å; D486-R660 IonicContact OD1-CZ 3.39Å; D486-R660 IonicContact OD1-NE 2.99Å; D486-R660 PolarHBondContact OD1-NE 3.3Å; D486-R660 IonicContact OD1-NH2 2.76Å; D486-R660 PolarHBondContact OD1-NH2 2.97Å; D486-R660 IonicContact OD2-CZ 2.7Å; D486-R660 IonicContact OD2-NE 3.98Å; D486-R660 PolarHBondContact OD2-NE 3.5Å; D486-R660 IonicContact OD2-NH2 2.89Å; D486-R660 PolarHBondContact OD2-NH2 3.45Å; V546-R660 HydrophobicContact CG2-CG 4.2Å
661	L	94.4	Very high	80.3	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-69.5	132.8	-173.2	-78.9	157.8	0	0	0	112.5	F360 L473 A556 I659 Q663 Y664	F360-L661 HydrophobicContact CB-CD1 3.85Å; F360-L661 HydrophobicContact CD1-CD1 3.45Å; F360-L661 VanDerWaalsContact CD1-CD1 3.45Å; F360-L661 HydrophobicContact CD2-CD1 3.72Å; F360-L661 HydrophobicContact CD2-CD2 4.02Å; F360-L661 HydrophobicContact CE1-CD1 3.84Å; F360-L661 HydrophobicContact CE2-CD1 4.07Å; F360-L661 HydrophobicContact CE2-CD2 4.25Å; F360-L661 HydrophobicContact CG-CD1 3.39Å; F360-L661 HydrophobicContact CG-CD2 4.47Å; F360-L661 HydrophobicContact CZ-CD1 4.13Å; L473-L661 HydrophobicContact CB-CD2 3.68Å; L473-L661 HydrophobicContact CD1-CD2 4.44Å; A556-L661 HydrophobicContact CB-CD1 3.88Å; I659-L661 HydrophobicContact CD1-CD2 3.67Å; I659-L661 HydrophobicContact CD1-CG 4.01Å; I659-L661 HydrophobicContact CG1-CD2 4.4Å; I659-L661 HydrophobicContact CG1-CG 4.26Å; I659-L661 HydrophobicContact CG2-CD1 4.46Å; I659-L661 HydrophobicContact CG2-CG 4.3Å; I659-L661 PolarHBondContact O-N 3.02Å; I659-L661 VanDerWaalsContact O-N 3.13Å; L661-Q663 VanDerWaalsContact C-N 3.27Å; L661-Q663 HydrophobicContact CB-CG 4.01Å; L661-Q663 PolarHBondContact O-N 3.31Å; L661-Y664 HydrophobicContact CB-CD1 4.29Å; L661-Y664 HydrophobicContact CB-CD2 3.7Å; L661-Y664 HydrophobicContact CB-CE1 4.44Å; L661-Y664 HydrophobicContact CB-CE2 3.87Å; L661-Y664 HydrophobicContact CB-CG 3.93Å; L661-Y664 HydrophobicContact CD1-CD2 4.34Å; L661-Y664 HydrophobicContact CD1-CE1 4.14Å; L661-Y664 HydrophobicContact CD1-CE2 3.62Å; L661-Y664 HydrophobicContact CG-CE2 4.24Å; L661-Y664 WeakPolarHBondContact O-CB 3.48Å; L661-Y664 PolarHBondContact O-N 2.87Å
662	K	93.6	Very high	77.5	Confident	106 Å²	106	46.5 Å²	46.5	46%	0.461	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-45.3	178.7	-71.1	169.8	-175.7	175.4	0	113.4	T472 L473 S474 Y664 H665 S666	T472-K662 WeakPolarHBondContact O-CE 3.35Å; T472-K662 PolarHBondContact O-NZ 2.92Å; L473-K662 WeakPolarHBondContact O-CG 3.42Å; L473-K662 PolarHBondContact O-N 3.45Å; S474-K662 WeakPolarHBondContact O-CE 3.47Å; K662-Y664 PolarHBondContact O-N 2.91Å; K662-H665 PolarHBondContact O-N 2.96Å; K662-S666 PolarHBondContact O-N 2.86Å
663	Q	89.6	Confident	74.6	Confident	83 Å²	83	49.6 Å²	49.6	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-21.8	-179	55.1	167.7	52.2	0	0	114.3	F360 L661 H665 S666	F360-Q663 PolarHBondContact O-NE2 2.95Å; L661-Q663 VanDerWaalsContact C-N 3.27Å; L661-Q663 HydrophobicContact CB-CG 4.01Å; L661-Q663 PolarHBondContact O-N 3.31Å; Q663-H665 VanDerWaalsContact C-N 3.28Å; Q663-H665 PolarHBondContact O-N 3.27Å; Q663-S666 WeakPolarHBondContact CA-OG 3.41Å; Q663-S666 PolarHBondContact O-OG 3.08Å
664	Y	86	Confident	71.8	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-73.6	-20.1	-179.5	-69.6	-14.5	0	0	0	113.3	E362 A556 R640 L661 K662	E362-Y664 HydrophobicContact CG-CE1 4.32Å; E362-Y664 WeakPolarHBondContact OE1-CE1 3.4Å; A556-Y664 HydrophobicContact CB-CE2 4.07Å; R640-Y664 HydrophobicContact CB-CD2 4.44Å; R640-Y664 HydrophobicContact CB-CE2 3.73Å; R640-Y664 HydrophobicContact CG-CD2 4.17Å; R640-Y664 HydrophobicContact CG-CE1 4.04Å; R640-Y664 HydrophobicContact CG-CE2 3.62Å; R640-Y664 PolarHBondContact N-OH 3.29Å; R640-Y664 PolarHBondContact NH1-O 2.91Å; L661-Y664 HydrophobicContact CB-CD1 4.29Å; L661-Y664 HydrophobicContact CB-CD2 3.7Å; L661-Y664 HydrophobicContact CB-CE1 4.44Å; L661-Y664 HydrophobicContact CB-CE2 3.87Å; L661-Y664 HydrophobicContact CB-CG 3.93Å; L661-Y664 HydrophobicContact CD1-CD2 4.34Å; L661-Y664 HydrophobicContact CD1-CE1 4.14Å; L661-Y664 HydrophobicContact CD1-CE2 3.62Å; L661-Y664 HydrophobicContact CG-CE2 4.24Å; L661-Y664 WeakPolarHBondContact O-CB 3.48Å; L661-Y664 PolarHBondContact O-N 2.87Å; K662-Y664 PolarHBondContact O-N 2.91Å
665	H	73.9	Confident	69	Low	55 Å²	55	65.4 Å²	65.4	26%	0.255	35%	0.346	S	S	.	.	H	α-helix	trans	-102.6	-31.8	-179.1	-54.4	-67.7	0	0	0	112.6	S475 K662 Q663 A667 E668 D669	S475-H665 PolarHBondContact OG-NE2 3.1Å; K662-H665 PolarHBondContact O-N 2.96Å; Q663-H665 VanDerWaalsContact C-N 3.28Å; Q663-H665 PolarHBondContact O-N 3.27Å; H665-A667 PolarHBondContact O-N 3.03Å; H665-A667 VanDerWaalsContact O-N 3.09Å; H665-E668 PolarHBondContact O-N 3.28Å; H665-D669 PolarHBondContact O-N 3.01Å
666	S	56.8	Low	66.1	Low	65 Å²	65	73 Å²	73	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-19.9	-178.9	50.6	0	0	0	0	114.5	K662 Q663 T670	K662-S666 PolarHBondContact O-N 2.86Å; Q663-S666 WeakPolarHBondContact CA-OG 3.41Å; Q663-S666 PolarHBondContact O-OG 3.08Å; S666-T670 PolarHBondContact O-OG1 3.36Å
667	A	48.7	Very low	63.1	Low	55 Å²	55	79.2 Å²	79.2	46%	0.455	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-41.3	172.7	0	0	0	0	0	112.1	H665 T670	H665-A667 PolarHBondContact O-N 3.03Å; H665-A667 VanDerWaalsContact O-N 3.09Å; A667-T670 WeakPolarHBondContact O-CB 3.2Å; A667-T670 PolarHBondContact O-N 3.14Å; A667-T670 VanDerWaalsContact O-N 3.12Å
668	E	47.1	Very low	59.8	Low	109 Å²	109	87.5 Å²	87.5	51%	0.509	45%	0.446	S	S	.	.	H	α-helix	trans	-69.9	-36.1	-175.9	-58.9	-179.6	154	0	0	111.4	H665 T670 A672	H665-E668 PolarHBondContact O-N 3.28Å; E668-T670 PolarHBondContact O-N 3.28Å; E668-A672 PolarHBondContact O-N 3.32Å
669	D	42.8	Very low	56.7	Low	111 Å²	111	90.3 Å²	90.3	59%	0.594	47%	0.469	S	S	*	.	H	α-helix	trans	-64.6	-23	172.2	-76.9	-35.4	0	0	0	113.2	H665 T673	H665-D669 PolarHBondContact O-N 3.01Å; D669-T673 WeakPolarHBondContact O-CB 3.3Å; D669-T673 PolarHBondContact O-N 2.98Å; D669-T673 PolarHBondContact O-OG1 2.94Å
670	T	38	Very low	53.6	Low	72 Å²	72	99.9 Å²	99.9	44%	0.442	51%	0.51	S	S	.	.	H	α-helix	trans	-75.4	-52.2	-177.4	-51.9	0	0	0	0	110.6	S666 A667 E668 A672 T673 E674	S666-T670 PolarHBondContact O-OG1 3.36Å; A667-T670 WeakPolarHBondContact O-CB 3.2Å; A667-T670 PolarHBondContact O-N 3.14Å; A667-T670 VanDerWaalsContact O-N 3.12Å; E668-T670 PolarHBondContact O-N 3.28Å; T670-A672 VanDerWaalsContact C-N 3.27Å; T670-A672 PolarHBondContact O-N 2.99Å; T670-T673 PolarHBondContact O-N 3.48Å; T670-E674 PolarHBondContact O-N 3.34Å; T670-E674 VanDerWaalsContact O-N 3.1Å
671	D	41.2	Very low	50.6	Low	124 Å²	124	104.3 Å²	104.3	66%	0.663	54%	0.539	S	S	*	.	H	α-helix	trans	-57.2	-41.3	175.6	-70.8	-21.2	0	0	0	111.1	T673 E674	D671-T673 VanDerWaalsContact C-N 3.25Å; D671-T673 PolarHBondContact O-N 3.45Å; D671-E674 PolarHBondContact O-N 2.98Å
672	A	38.7	Very low	48	Very low	49 Å²	49	112.3 Å²	112.3	41%	0.405	58%	0.581	S	S	.	*	H	α-helix	trans	-68.6	-19.3	178	0	0	0	0	0	114.4	E668 T670 Q676	E668-A672 PolarHBondContact O-N 3.32Å; T670-A672 VanDerWaalsContact C-N 3.27Å; T670-A672 PolarHBondContact O-N 2.99Å; A672-Q676 PolarHBondContact O-NE2 2.89Å
673	T	35.4	Very low	45	Very low	66 Å²	66	112.7 Å²	112.7	41%	0.405	60%	0.597	S	S	.	*	H	α-helix	trans	-90.1	-35.7	178	-61.4	0	0	0	0	111.9	D669 T670 D671 Q676	D669-T673 WeakPolarHBondContact O-CB 3.3Å; D669-T673 PolarHBondContact O-N 2.98Å; D669-T673 PolarHBondContact O-OG1 2.94Å; T670-T673 PolarHBondContact O-N 3.48Å; D671-T673 VanDerWaalsContact C-N 3.25Å; D671-T673 PolarHBondContact O-N 3.45Å; T673-Q676 PolarHBondContact O-N 2.98Å
674	E	40	Very low	42.7	Very low	148 Å²	148	115 Å²	115	69%	0.692	62%	0.619	S	S	*	*	H	α-helix	trans	-66.7	-36.8	179.1	-68.8	-163.7	178	0	0	112.5	T670 D671 Q676 Q677	T670-E674 PolarHBondContact O-N 3.34Å; T670-E674 VanDerWaalsContact O-N 3.1Å; D671-E674 PolarHBondContact O-N 2.98Å; E674-Q676 PolarHBondContact O-N 3.49Å; E674-Q677 PolarHBondContact O-N 3.48Å
675	E	40	Very low	40.2	Very low	183 Å²	183	121.8 Å²	121.8	86%	0.855	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-18.7	173.9	-70.9	-155.5	147.5	0	0	113.9
676	Q	38.1	Very low	38.2	Very low	161 Å²	161	125 Å²	125	75%	0.752	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-1.8	-175.9	-69.1	-175.2	69.6	0	0	114.5	A672 T673 E674	A672-Q676 PolarHBondContact O-NE2 2.89Å; T673-Q676 PolarHBondContact O-N 2.98Å; E674-Q676 PolarHBondContact O-N 3.49Å
677	Q	35.6	Very low	36.8	Very low	146 Å²	146	125.3 Å²	125.3	68%	0.682	70%	0.704	S	S	*	*			trans	-121.5	49.3	-174.7	-62.7	-165.1	38.9	0	0	114.9	E674 P679	E674-Q677 PolarHBondContact O-N 3.48Å; Q677-P679 WeakPolarHBondContact O-CD 3.49Å
678	Q	27.6	Very low	35.9	Very low	178 Å²	178	133.7 Å²	133.7	83%	0.832	72%	0.724	S	S	*	*			trans	-76.3	124.2	155.6	-87.3	-156.9	-2.7	0	0	111.1
679	P	33.3	Very low	35	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	74%	0.736	S	S	*	*			trans	-65.6	133.4	172.9	-20.2	33.3	0	0	0	111.9	Q677 D681	Q677-P679 WeakPolarHBondContact O-CD 3.49Å; P679-D681 PolarHBondContact O-N 3.19Å
680	K	30.4	Very low	34.3	Very low	201 Å²	201	132.7 Å²	132.7	87%	0.874	73%	0.732	S	S	*	*			trans	-86.9	85	172	-70.8	179.5	-179.7	172.7	0	110.1	L682	K680-L682 PolarHBondContact O-N 3.13Å
681	D	32.3	Very low	33.8	Very low	159 Å²	159	138.5 Å²	138.5	85%	0.85	75%	0.752	S	S	*	*			trans	-63.5	133.3	173.9	-91.5	-30.4	0	0	0	111.9	P679	P679-D681 PolarHBondContact O-N 3.19Å
682	L	38.5	Very low	33	Very low	172 Å²	172	138 Å²	138	90%	0.901	76%	0.758	S	S	*	*			trans	-97.4	127.5	177.3	-70.1	167.8	0	0	0	109.8	K680	K680-L682 PolarHBondContact O-N 3.13Å
683	S	30.9	Very low	32.6	Very low	114 Å²	114	141 Å²	141	80%	0.797	78%	0.776	S	S	*	*			trans	-142.1	144.4	165.4	70	0	0	0	0	111.2
684	P	42	Very low	33	Very low	130 Å²	130	143.9 Å²	143.9	84%	0.844	80%	0.795	S	S	*	*			trans	-91.2	155.6	-167.4	35.1	-36.7	0	0	0	114.8
685	T	33.6	Very low	32.3	Very low	150 Å²	150	141.5 Å²	141.5	92%	0.92	80%	0.801	S	S	*	*			trans	-69.8	135	-177.3	-40.1	0	0	0	0	114.3
686	S	31.1	Very low	31.9	Very low	122 Å²	122	144 Å²	144	85%	0.853	80%	0.803	S	S	*	*			trans	-161.5	158.5	157.7	-167	0	0	0	0	112.8
687	G	28.4	Very low	32.4	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	80%	0.802	S	S	*	*			trans	94.5	69.9	146.2	0	0	0	0	0	119.9
688	R	28.8	Very low	32.1	Very low	231 Å²	231	141.9 Å²	141.9	87%	0.872	81%	0.807	S	S	*	*			trans	-35.2	171	157.5	-159.8	-169.1	177.9	179.9	-0	117.2
689	V	28.9	Very low	32.3	Very low	125 Å²	125	138 Å²	138	76%	0.758	80%	0.8	S	S	*	*			trans	71	147.8	162.3	-73.1	0	0	0	0	119.3
690	S	28.2	Very low	32.1	Very low	74 Å²	74	138.6 Å²	138.6	52%	0.517	80%	0.802	S	S	.	*			cis	-173	149.1	-28.9	-149.3	0	0	0	0	111.7
691	F	26.4	Very low	32	Very low	194 Å²	194	136.6 Å²	136.6	85%	0.851	80%	0.8	S	S	*	*			trans	62.4	164	164.2	-51.3	-56	0	0	0	116.5
692	S	26	Very low	32	Very low	114 Å²	114	134.5 Å²	134.5	80%	0.797	79%	0.793	S	S	*	*			cis	-152.8	149.6	-3.8	35.4	0	0	0	0	111.2
693	S	29.4	Very low	32.4	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	79%	0.79	S	S	*	*			trans	-69.4	170.7	160.7	-26.7	0	0	0	0	111.2
694	P	43.9	Very low	32.2	Very low	125 Å²	125	132.7 Å²	132.7	81%	0.812	79%	0.79	S	S	*	*				-154.9	-168.6	58.4	43.3	-21.3	0	0	0	117.5
695	A	26.2	Very low	31.7	Very low	98 Å²	98	131.9 Å²	131.9	81%	0.81	79%	0.787	S	S	*	*			trans	116.4	106	148.5	0	0	0	0	0	118.6
696	R	31.3	Very low	31.5	Very low	237 Å²	237	135.7 Å²	135.7	89%	0.894	79%	0.785	S	S	*	*			trans	-91.1	-171.5	153.1	-79	-175.2	178.5	-176.9	-0.3	108
697	P	47.3	Very low	31.3	Very low	114 Å²	114	140.5 Å²	140.5	74%	0.74	78%	0.784	S	S	*	*			cis	-139.1	-162.9	12.8	48	-28	0	0	0	113.6
698	D	29.5	Very low	31.5	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	78%	0.784	S	S	*	*			cis	-145.6	-161.6	-2.9	-151	39.5	0	0	0	108.4
699	S	31.2	Very low	32.2	Very low	97 Å²	97	138.1 Å²	138.1	68%	0.678	77%	0.772	S	S	*	*			cis	-158.4	-172.2	8.6	58.6	0	0	0	0	108.7
700	T	29.1	Very low	32.2	Very low	120 Å²	120	139.1 Å²	139.1	74%	0.736	77%	0.773	S	S	*	*			cis	-152.8	-158.4	10.2	-161.2	0	0	0	0	113
701	L	30.1	Very low	32.2	Very low	159 Å²	159	140.2 Å²	140.2	83%	0.832	78%	0.781	S	S	*	*			trans	-59.1	165.1	-171.9	-65.6	167.9	0	0	0	120.2
702	T	31	Very low	32.5	Very low	116 Å²	116	137.4 Å²	137.4	71%	0.712	77%	0.773	S	S	*	*			trans	-128	171.3	171.1	-27.7	0	0	0	0	110.1
703	P	46.4	Very low	32.6	Very low	129 Å²	129	140.6 Å²	140.6	84%	0.838	78%	0.775	S	S	*	*			trans	-136.8	163	133.3	37.7	-26.6	0	0	0	114.6
704	C	27.4	Very low	32.5	Very low	118 Å²	118	139.1 Å²	139.1	80%	0.797	78%	0.778	S	S	*	*			trans	-132.3	154.6	-165.7	-50.3	0	0	0	0	114.9
705	S	30.5	Very low	31.8	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	78%	0.777	S	S	*	*			trans	-156.9	127	146.9	43.6	0	0	0	0	109.8
706	R	29.5	Very low	32.1	Very low	230 Å²	230	139.5 Å²	139.5	87%	0.868	78%	0.783	S	S	*	*			cis	81.6	131.1	44.5	-177	-176.6	-92.6	-163.4	-4.4	110.9
707	R	28.5	Very low	32.1	Very low	223 Å²	223	132.3 Å²	132.3	84%	0.842	77%	0.774	S	S	*	*			cis	-137.1	-174.3	16.8	-117.1	168.5	163.7	174.1	-5	107.2
708	Q	32.8	Very low	31.6	Very low	159 Å²	159	136.8 Å²	136.8	74%	0.743	78%	0.782	S	S	*	*			cis	166.4	173.4	-31.7	-90.9	-52.3	111.1	0	0	106.1
709	P	41.8	Very low	31.7	Very low	96 Å²	96	136.3 Å²	136.3	62%	0.623	78%	0.784	S	S	*	*			cis	-123.2	-131.4	-11.7	25.9	1.7	0	0	0	109.7
710	D	29.4	Very low	31.8	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	79%	0.793	S	S	*	*			cis	-163.3	178.6	-6	-138.1	-39.9	0	0	0	113.6
711	S	28.3	Very low	31.9	Very low	96 Å²	96	143.7 Å²	143.7	67%	0.671	80%	0.8	S	S	*	*			trans	60.5	66.1	152.1	-159.1	0	0	0	0	122.4
712	I	32.3	Very low	32.1	Very low	136 Å²	136	141.5 Å²	141.5	70%	0.697	80%	0.795	S	S	*	*				14.4	124.2	125.5	-30	172.9	0	0	0	118.9
713	H	29.3	Very low	32.3	Very low	181 Å²	181	144.6 Å²	144.6	84%	0.838	80%	0.801	S	S	*	*				167.9	150.8	116.5	-93.1	87.8	0	0	0	114.2
714	G	27.2	Very low	31.4	Very low	81 Å²	81	148.3 Å²	148.3	84%	0.835	81%	0.805	S	S	*	*			trans	94.6	124.9	161.7	0	0	0	0	0	116
715	G	28.8	Very low	31.7	Very low	78 Å²	78	150.9 Å²	150.9	80%	0.804	81%	0.805	S	S	*	*			trans	-116.1	154.1	172.7	0	0	0	0	0	112
716	V	31.9	Very low	32.2	Very low	152 Å²	152	156.5 Å²	156.5	92%	0.921	81%	0.809	S	S	*	*			trans	-135	150	174.7	-179.4	0	0	0	0	109
717	A	31.6	Very low	32.5	Very low	87 Å²	87	151.1 Å²	151.1	72%	0.719	80%	0.804	S	S	*	*			trans	-77	173.2	-175.9	0	0	0	0	0	113.8
718	K	38.1	Very low	32.8	Very low	208 Å²	208	145.2 Å²	145.2	90%	0.904	80%	0.803	S	S	*	*			trans	-66.9	138.8	168.8	-60.3	178.7	178.5	-177.2	0	110.6
719	T	31.3	Very low	33.1	Very low	137 Å²	137	143.9 Å²	143.9	84%	0.84	81%	0.806	S	S	*	*			trans	-138.2	156.3	160.8	-47.5	0	0	0	0	108.2
720	E	32.5	Very low	32.8	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.9	161.8	-165.1	-61.3	166.9	141.4	0	0	113.8
721	E	32.1	Very low	33.1	Very low	190 Å²	190	143.6 Å²	143.6	89%	0.888	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72	142.3	165.8	-84.9	-169	119.5	0	0	110.7
722	P	33.4	Very low	33.5	Very low	113 Å²	113	149 Å²	149	73%	0.734	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.1	129.2	-177.7	30.9	-34	0	0	0	112.5	F724	P722-F724 PolarHBondContact O-N 3.5Å
723	E	34.9	Very low	33.8	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-58.9	130.3	167.6	-68.3	-172.2	117.9	0	0	111.5	Q725	E723-Q725 PolarHBondContact O-N 3.05Å; E723-Q725 VanDerWaalsContact O-N 3.14Å
724	F	28.1	Very low	34.2	Very low	207 Å²	207	147.9 Å²	147.9	91%	0.908	83%	0.829	S	S	*	*			trans	-77.4	98.6	170.1	-114.4	-90.7	0	0	0	110.4	P722 R726	P722-F724 PolarHBondContact O-N 3.5Å; F724-R726 PolarHBondContact O-N 3.29Å
725	Q	34	Very low	34.8	Very low	173 Å²	173	152.7 Å²	152.7	81%	0.808	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-60.5	125.4	178	-68.8	-175.2	-11	0	0	111.6	E723	E723-Q725 PolarHBondContact O-N 3.05Å; E723-Q725 VanDerWaalsContact O-N 3.14Å
726	R	40.8	Very low	35.1	Very low	231 Å²	231	154.5 Å²	154.5	87%	0.872	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-62.1	128.9	174	-177.2	-178.4	-69.6	162.9	-2.7	109.7	F724 A728	F724-R726 PolarHBondContact O-N 3.29Å; R726-A728 PolarHBondContact O-N 3.48Å
727	P	35.7	Very low	35.6	Very low	116 Å²	116	151.6 Å²	151.6	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-56.9	134.7	176.5	-26.2	35	0	0	0	112.2	T729	P727-T729 PolarHBondContact O-N 3.48Å
728	A	35.4	Very low	36.2	Very low	100 Å²	100	152.8 Å²	152.8	83%	0.826	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-66.3	131.7	178.7	0	0	0	0	0	111.4	R726	R726-A728 PolarHBondContact O-N 3.48Å
729	T	37.8	Very low	36	Very low	130 Å²	130	149 Å²	149	80%	0.798	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-64.5	130.7	172.1	45.5	0	0	0	0	110.7	P727	P727-T729 PolarHBondContact O-N 3.48Å
730	P	36.9	Very low	36.3	Very low	122 Å²	122	151 Å²	151	79%	0.792	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-63.6	141.8	169.7	27.9	-33.4	0	0	0	110	K732	P730-K732 PolarHBondContact O-N 3.24Å
731	S	35	Very low	36.4	Very low	115 Å²	115	147.9 Å²	147.9	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-63.2	131.1	177.8	50	0	0	0	0	111	E733	S731-E733 PolarHBondContact O-N 3.41Å; S731-E733 VanDerWaalsContact O-N 3.15Å
732	K	37	Very low	36.3	Very low	208 Å²	208	145.8 Å²	145.8	90%	0.904	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-60.2	116.5	168.6	-84.4	-174	173.9	179.6	0	109.8	P730	P730-K732 PolarHBondContact O-N 3.24Å
733	E	37.5	Very low	36.2	Very low	175 Å²	175	150.3 Å²	150.3	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-68	134.2	165.6	-171.8	170.1	-149.2	0	0	109.2	S731 Q735	S731-E733 PolarHBondContact O-N 3.41Å; S731-E733 VanDerWaalsContact O-N 3.15Å; E733-Q735 PolarHBondContact O-N 3.49Å
734	P	38.5	Very low	36	Very low	120 Å²	120	146.9 Å²	146.9	78%	0.779	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65.3	118	179.8	-21.5	33.5	0	0	0	111.6
735	Q	38.7	Very low	36	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-62.4	138.3	168.3	-72.7	-95.4	-60	0	0	109.4	E733	E733-Q735 PolarHBondContact O-N 3.49Å
736	P	36.7	Very low	35.8	Very low	116 Å²	116	142.6 Å²	142.6	75%	0.753	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.3	145.8	-179	28.1	-34.7	0	0	0	111.5
737	A	41.5	Very low	35.2	Very low	91 Å²	91	137.7 Å²	137.7	75%	0.752	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-62.2	148.9	177.8	0	0	0	0	0	112.1
738	P	44.8	Very low	35.5	Very low	113 Å²	113	137.9 Å²	137.9	73%	0.734	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.6	148.2	176.6	26.3	-34.9	0	0	0	111.5	Q740	P738-Q740 PolarHBondContact O-N 2.95Å
739	P	34.4	Very low	35.2	Very low	129 Å²	129	140 Å²	140	84%	0.838	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.1	124.5	-175.7	27.1	-34.5	0	0	0	111.4
740	Q	36.3	Very low	34.7	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-72.3	144.9	172.8	-71.1	-160.2	-5.7	0	0	111.5	P738 T742	P738-Q740 PolarHBondContact O-N 2.95Å; Q740-T742 PolarHBondContact O-N 2.64Å
741	P	35.1	Very low	34.2	Very low	117 Å²	117	146.6 Å²	146.6	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.7	132.1	174.5	28.5	-34.3	0	0	0	111	K743	P741-K743 PolarHBondContact O-N 2.77Å
742	T	29.8	Very low	34.5	Very low	147 Å²	147	146.4 Å²	146.4	90%	0.902	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69.5	125.8	177.8	34.9	0	0	0	0	111.6	Q740	Q740-T742 PolarHBondContact O-N 2.64Å
743	K	31.2	Very low	34	Very low	208 Å²	208	141.1 Å²	141.1	90%	0.904	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-95.3	119.1	171.4	-77.5	-174	176.4	-179.9	0	111.7	P741	P741-K743 PolarHBondContact O-N 2.77Å
744	S	29.8	Very low	33.7	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	79%	0.786	S	S	*	*			trans	-164	143.5	147.4	-150.6	0	0	0	0	107.9
745	T	28.1	Very low	33.4	Very low	108 Å²	108	137.7 Å²	137.7	66%	0.663	78%	0.782	S	S	*	*			cis	-147.8	163.3	12.8	-36.9	0	0	0	0	110.9
746	H	30.3	Very low	32.9	Very low	181 Å²	181	137.7 Å²	137.7	84%	0.838	78%	0.782	S	S	*	*			trans	91	108.8	162.7	-72.3	-71	0	0	0	121.5
747	L	29	Very low	32.5	Very low	129 Å²	129	138.4 Å²	138.4	68%	0.675	79%	0.789	S	S	*	*			trans	-67.3	171	154.6	-79.5	166	0	0	0	111.6
748	P	41.1	Very low	31.8	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	79%	0.786	S	S	*	*			cis	-120.8	150.3	30.7	16.7	8.4	0	0	0	115.9
749	H	29.3	Very low	30.9	Very low	144 Å²	144	138.2 Å²	138.2	67%	0.667	79%	0.794	S	S	*	*				71.3	98.8	64.3	-100.9	-56.7	0	0	0	115.1
750	L	27.4	Very low	30.7	Very low	166 Å²	166	138.2 Å²	138.2	87%	0.869	79%	0.792	S	S	*	*				166.3	154.6	113.1	-88.6	161.8	0	0	0	114.4
751	Y	26.7	Very low	31	Very low	224 Å²	224	135.5 Å²	135.5	88%	0.878	79%	0.79	S	S	*	*			trans	-76.3	-179.8	163.2	-74.6	-85.6	0	0	0	110.1
752	P	41.5	Very low	30.6	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	79%	0.79	S	S	*	*			cis	-149.3	-172.4	17.6	46.1	-25.7	0	0	0	118.5
753	A	26.8	Very low	30.8	Very low	97 Å²	97	137.4 Å²	137.4	80%	0.802	79%	0.787	S	S	*	*			trans	71.4	170.5	140	0	0	0	0	0	121.1
754	S	31.3	Very low	31	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	78%	0.782	S	S	*	*			trans	-128.5	-175.1	-172.7	54.4	0	0	0	0	111
755	V	30.6	Very low	31.4	Very low	115 Å²	115	136.6 Å²	136.6	70%	0.697	79%	0.786	S	S	*	*			trans	97.5	105.5	164.2	-168.1	0	0	0	0	117.8
756	H	29.1	Very low	31.6	Very low	182 Å²	182	136.7 Å²	136.7	84%	0.843	79%	0.791	S	S	*	*			trans	59.8	134.8	148.8	-60.8	-38.3	0	0	0	124.6
757	S	29.2	Very low	31.8	Very low	130 Å²	130	136.1 Å²	136.1	91%	0.909	79%	0.793	S	S	*	*			trans	107.8	138.4	130.4	-153.8	0	0	0	0	118.9
758	G	25.4	Very low	32.6	Very low	66 Å²	66	135.8 Å²	135.8	68%	0.68	80%	0.799	S	S	*	*			trans	120.3	103.8	152.1	0	0	0	0	0	118.6
759	C	26.3	Very low	32.3	Very low	135 Å²	135	139.5 Å²	139.5	91%	0.912	80%	0.803	S	S	*	*			trans	47.8	113.8	146	-63.1	0	0	0	0	122.8
760	T	29.8	Very low	32.4	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	81%	0.81	S	S	*	*			trans	-59.8	-178.9	144.8	57.9	0	0	0	0	113
761	P	42.2	Very low	32.7	Very low	120 Å²	120	137 Å²	137	78%	0.779	81%	0.809	S	S	*	*			cis	-138.1	171.8	0.7	41.4	-24.3	0	0	0	116.7
762	S	28.7	Very low	32.9	Very low	109 Å²	109	129.6 Å²	129.6	76%	0.762	80%	0.801	S	S	*	*			trans	176.1	97.3	137.4	-177.3	0	0	0	0	111.3
763	K	32.8	Very low	32.6	Very low	195 Å²	195	133.4 Å²	133.4	85%	0.848	81%	0.809	S	S	*	*				59.3	80.8	99.3	-73.3	-167.1	172.3	-175.9	0	117.7
764	E	34.7	Very low	32.9	Very low	170 Å²	170	133.6 Å²	133.6	79%	0.794	80%	0.804	S	S	*	*				16.5	130.6	108.3	-172.3	177.9	-117	0	0	118.9
765	P	38.3	Very low	33.1	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	81%	0.809	S	S	*	*			trans	-84.4	147.6	167.4	35.3	-33.1	0	0	0	112.3
766	S	33.4	Very low	33.6	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	81%	0.814	S	S	*	*			trans	-135.8	151.2	-177	50.9	0	0	0	0	113.5
767	L	34.3	Very low	33.8	Very low	170 Å²	170	136.9 Å²	136.9	89%	0.89	81%	0.814	S	S	*	*			trans	-136.2	158.7	175.5	-84	175.4	0	0	0	109.9
768	P	46.2	Very low	35.2	Very low	122 Å²	122	136.1 Å²	136.1	79%	0.792	81%	0.806	S	S	*	*				-106.8	172.5	-111.4	38.3	-40.3	0	0	0	117.8
769	K	33.6	Very low	35.7	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.857	83%	0.831	S	S	*	*			trans	-71	159.7	-178.6	-50.1	171.2	-179.4	177.7	0	114.4
770	A	32.8	Very low	36.2	Very low	100 Å²	100	146.9 Å²	146.9	83%	0.826	83%	0.827	S	S	*	*			trans	-143.1	153.5	136.5	0	0	0	0	0	111
771	N	32.3	Very low	36.6	Very low	158 Å²	158	147.8 Å²	147.8	85%	0.845	83%	0.829	S	S	*	*			trans	-79.1	168.5	-174.8	-54.1	-23.4	0	0	0	111.8
772	G	32.3	Very low	36.2	Very low	68 Å²	68	149.4 Å²	149.4	70%	0.701	83%	0.832	S	S	*	*			cis	157.7	-174.2	-2	0	0	0	0	0	112.3
773	H	34.8	Very low	36.7	Very low	192 Å²	192	151.8 Å²	151.8	89%	0.889	84%	0.836	S	S	*	*			trans	71.3	96.5	174.9	-70.8	-76.2	0	0	0	120.6
774	S	33.4	Very low	36.9	Very low	101 Å²	101	149.1 Å²	149.1	71%	0.706	84%	0.835	S	S	*	*				8.2	130.3	127.9	-171	0	0	0	0	120.3
775	T	34.5	Very low	37.1	Very low	141 Å²	141	147.7 Å²	147.7	87%	0.865	84%	0.838	S	S	*	*				-162.2	177.8	116.3	8	0	0	0	0	111.7
776	E	40.9	Very low	37	Very low	171 Å²	171	149 Å²	149	80%	0.799	84%	0.838	S	S	*	*			trans	-95.8	-167.6	-164.3	-53.1	174.1	110.3	0	0	115.2
777	I	33.8	Very low	37.3	Very low	162 Å²	162	152 Å²	152	83%	0.831	84%	0.843	S	S	*	*			trans	73.4	150.7	160.3	43.2	178.1	0	0	0	118.8
778	P	59.1	Low	37.5	Very low	114 Å²	114	150.5 Å²	150.5	74%	0.74	84%	0.839	S	S	*	*				-134.6	179.2	-129.4	45	-30.6	0	0	0	116.1
779	K	36.6	Very low	36.7	Very low	280 Å²	280	153.1 Å²	153.1	100%	1.217	84%	0.843	S	S	*	*			trans	-163.6	0	132.5	-110.8	166	-174.6	176	0	112.3

Retrieved 779 of 779 residues in 1436 ms (Link to these results)

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