A0A5K4FDX6_SCHMA Loading...

Rabphilin-3A

AlphaFold DB , UniProt , Accession A0A5K4FDX6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 762 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	37.2	Very low	45.6	Very low	243 Å²	243	143.8 Å²	143.8	100%	1.197	79%	0.79	S	S	*	*				0	111.3	0	-76.6	-70.3	-139.6	0	0	109.2
2	G	39.8	Very low	45.6	Very low	77 Å²	77	151.3 Å²	151.3	79%	0.794	80%	0.798	S	S	*	*			trans	81.6	68.9	155.6	0	0	0	0	0	119.8
3	W	44	Very low	45.7	Very low	261 Å²	261	157.3 Å²	157.3	99%	0.989	80%	0.803	S	S	*	*			trans	-121.7	131.1	155	-76.5	61.6	0	0	0	110
4	S	46.9	Very low	46.2	Very low	103 Å²	103	163.1 Å²	163.1	72%	0.72	81%	0.81	S	S	*	*			trans	-69.6	135.4	-160.2	-178.8	0	0	0	0	114.7	R6	S4-R6 PolarHBondContact O-N 3.44Å
5	S	48.4	Very low	47.1	Very low	111 Å²	111	158.6 Å²	158.6	78%	0.776	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	16	-178.8	-36.5	0	0	0	0	116.2
6	R	47.2	Very low	48.5	Very low	218 Å²	218	160.1 Å²	160.1	82%	0.823	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-7.8	-173	-139.8	171.4	-175.7	175.6	0.3	114.6	S4 S9	S4-R6 PolarHBondContact O-N 3.44Å; R6-S9 PolarHBondContact O-OG 3.11Å
7	A	48.1	Very low	50.1	Low	70 Å²	70	157.6 Å²	157.6	58%	0.579	81%	0.809	S	S	*	*	S	Bend	trans	-86.2	-21.7	178.5	0	0	0	0	0	113.7	S9	A7-S9 PolarHBondContact O-N 3.5Å
8	Q	42.9	Very low	51.7	Low	166 Å²	166	153.8 Å²	153.8	78%	0.776	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-15.7	-175.6	-70.4	-178.6	5	0	0	114
9	S	46.4	Very low	53.7	Low	93 Å²	93	149.7 Å²	149.7	65%	0.65	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-8.8	177.1	45.6	0	0	0	0	114.4	R6 A7	R6-S9 PolarHBondContact O-OG 3.11Å; A7-S9 PolarHBondContact O-N 3.5Å
10	A	50.7	Low	55.4	Low	74 Å²	74	147.7 Å²	147.7	61%	0.612	77%	0.767	S	S	*	*	S	Bend	trans	-89.1	-17.8	175.5	0	0	0	0	0	113.1	R12	A10-R12 VanDerWaalsContact C-N 3.3Å; A10-R12 PolarHBondContact O-N 3.39Å
11	Q	50.3	Low	56.9	Low	166 Å²	166	145.6 Å²	145.6	78%	0.776	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	8.9	-171.3	-133	96.2	-12.3	0	0	114.8
12	R	45	Very low	59.2	Low	234 Å²	234	138.2 Å²	138.2	88%	0.883	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	22.8	-176	-73.3	-167.1	-179.2	-146	1	115.6	A10 R14	A10-R12 VanDerWaalsContact C-N 3.3Å; A10-R12 PolarHBondContact O-N 3.39Å; R12-R14 PolarHBondContact O-N 3.42Å
13	R	47	Very low	61.4	Low	229 Å²	229	138.9 Å²	138.9	86%	0.864	70%	0.702	S	S	*	*			trans	-81.3	100.7	161.8	-66.8	-167.6	-156.9	-178.2	6.9	107.9	A15	R13-A15 PolarHBondContact O-N 3.27Å
14	R	52.6	Low	63.5	Low	238 Å²	238	131.5 Å²	131.5	90%	0.898	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-50.1	126.4	164.6	-83.2	179.1	170	170.2	-3.9	107.6	R12 Q16	R12-R14 PolarHBondContact O-N 3.42Å; R14-Q16 PolarHBondContact O-N 3.42Å; R14-Q16 VanDerWaalsContact O-N 3.08Å
15	A	60.8	Low	65.4	Low	96 Å²	96	132.1 Å²	132.1	79%	0.793	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-52.4	117.9	171.6	0	0	0	0	0	107.6	R13	R13-A15 PolarHBondContact O-N 3.27Å
16	Q	69.1	Low	67.2	Low	182 Å²	182	130.8 Å²	130.8	85%	0.85	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-64.7	131.9	171.6	-77.6	-159.1	-19.3	0	0	107.4	R14 L18	R14-Q16 PolarHBondContact O-N 3.42Å; R14-Q16 VanDerWaalsContact O-N 3.08Å; Q16-L18 PolarHBondContact O-N 3.39Å
17	P	76.2	Confident	69.1	Low	118 Å²	118	125.5 Å²	125.5	77%	0.766	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-59.7	136.9	172	24.1	-29.8	0	0	0	108.5	T19	P17-T19 PolarHBondContact O-N 3.38Å
18	L	78.9	Confident	71.1	Confident	90 Å²	90	129 Å²	129	47%	0.471	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-55.2	137.4	175.4	-74.1	148.3	0	0	0	108.9	Q16 E22 E23 I26	Q16-L18 PolarHBondContact O-N 3.39Å; L18-E22 HydrophobicContact CB-CB 4.43Å; L18-E22 HydrophobicContact CD2-CB 3.78Å; L18-E23 HydrophobicContact CB-CG 3.55Å; L18-E23 HydrophobicContact CD1-CG 4.28Å; L18-E23 HydrophobicContact CG-CG 4.47Å; L18-I26 HydrophobicContact CD1-CD1 4.23Å; L18-I26 HydrophobicContact CD2-CD1 3.8Å
19	T	88.1	Confident	73.1	Confident	76 Å²	76	125.2 Å²	125.2	47%	0.466	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-66.4	153.6	169	59.1	0	0	0	0	109.5	P17 D21 E22 E23	P17-T19 PolarHBondContact O-N 3.38Å; T19-D21 PolarHBondContact O-N 3.08Å; T19-D21 VanDerWaalsContact O-N 3.13Å; T19-E22 PolarHBondContact N-OE2 3.13Å; T19-E22 PolarHBondContact O-N 3.11Å; T19-E22 WeakPolarHBondContact OG1-CB 3.5Å; T19-E22 VanDerWaalsContact OG1-CD 3.27Å; T19-E22 WeakPolarHBondContact OG1-CG 3.38Å; T19-E22 PolarHBondContact OG1-N 3.3Å; T19-E22 PolarHBondContact OG1-OE2 3.09Å; T19-E23 PolarHBondContact O-N 3.24Å
20	T	88.1	Confident	75	Confident	108 Å²	108	125 Å²	125	66%	0.663	62%	0.619	S	S	*	*	H	α-helix	trans	-55.3	-33.1	177.5	49.7	0	0	0	0	112.3	E24	T20-E24 WeakPolarHBondContact O-CB 3.48Å; T20-E24 PolarHBondContact O-N 2.98Å
21	D	87.1	Confident	76.7	Confident	104 Å²	104	129.6 Å²	129.6	56%	0.556	62%	0.62	S	S	*	*	H	α-helix	trans	-71.8	-38.4	178.4	-67	3.2	0	0	0	112.1	T19 E24 Q25	T19-D21 PolarHBondContact O-N 3.08Å; T19-D21 VanDerWaalsContact O-N 3.13Å; D21-E24 PolarHBondContact O-N 3.26Å; D21-Q25 VanDerWaalsContact O-CG 3.29Å; D21-Q25 WeakPolarHBondContact O-CG 3.38Å; D21-Q25 PolarHBondContact O-N 3.11Å
22	E	84.7	Confident	78.4	Confident	89 Å²	89	128.2 Å²	128.2	42%	0.416	61%	0.608	S	S	.	*	H	α-helix	trans	-67.2	-43	174.1	-74	167.4	141.1	0	0	111.5	L18 T19 E24 Q25 I26	L18-E22 HydrophobicContact CB-CB 4.43Å; L18-E22 HydrophobicContact CD2-CB 3.78Å; T19-E22 PolarHBondContact N-OE2 3.13Å; T19-E22 PolarHBondContact O-N 3.11Å; T19-E22 WeakPolarHBondContact OG1-CB 3.5Å; T19-E22 VanDerWaalsContact OG1-CD 3.27Å; T19-E22 WeakPolarHBondContact OG1-CG 3.38Å; T19-E22 PolarHBondContact OG1-N 3.3Å; T19-E22 PolarHBondContact OG1-OE2 3.09Å; E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.16Å; E22-Q25 PolarHBondContact O-N 3.3Å; E22-I26 VanDerWaalsContact O-CG1 3.29Å; E22-I26 WeakPolarHBondContact O-CG1 3.49Å; E22-I26 PolarHBondContact O-N 2.9Å
23	E	86.4	Confident	80.1	Confident	91 Å²	91	121.3 Å²	121.3	43%	0.425	59%	0.588	S	S	.	*	H	α-helix	trans	-60.1	-43.2	174.7	-66.8	-172.7	161.5	0	0	111.3	L18 T19 Q25 I26 L27	L18-E23 HydrophobicContact CB-CG 3.55Å; L18-E23 HydrophobicContact CD1-CG 4.28Å; L18-E23 HydrophobicContact CG-CG 4.47Å; T19-E23 PolarHBondContact O-N 3.24Å; E23-Q25 PolarHBondContact O-N 3.01Å; E23-I26 PolarHBondContact O-N 3.1Å; E23-L27 WeakPolarHBondContact O-CB 3.42Å; E23-L27 WeakPolarHBondContact O-CG 3.29Å; E23-L27 PolarHBondContact O-N 3.29Å
24	E	89.1	Confident	82.1	Confident	105 Å²	105	116.4 Å²	116.4	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-64.6	-40.3	177.6	-160.9	-166.3	150.2	0	0	111.9	T20 D21 E22 L27 R28	T20-E24 WeakPolarHBondContact O-CB 3.48Å; T20-E24 PolarHBondContact O-N 2.98Å; D21-E24 PolarHBondContact O-N 3.26Å; E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.16Å; E24-L27 PolarHBondContact O-N 2.59Å; E24-R28 WeakPolarHBondContact O-CB 3.36Å; E24-R28 PolarHBondContact O-N 3.31Å; E24-R28 IonicContact OE1-CZ 3.52Å; E24-R28 IonicContact OE1-NH2 2.75Å; E24-R28 PolarHBondContact OE1-NH2 3.21Å
25	Q	85.7	Confident	83.7	Confident	116 Å²	116	109.5 Å²	109.5	54%	0.542	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-44.4	174.6	-74.8	175.1	32.6	0	0	111.9	D21 E22 E23 R28 V29	D21-Q25 VanDerWaalsContact O-CG 3.29Å; D21-Q25 WeakPolarHBondContact O-CG 3.38Å; D21-Q25 PolarHBondContact O-N 3.11Å; E22-Q25 PolarHBondContact O-N 3.3Å; E23-Q25 PolarHBondContact O-N 3.01Å; Q25-R28 WeakPolarHBondContact O-CB 3.42Å; Q25-R28 PolarHBondContact O-N 3.11Å; Q25-V29 WeakPolarHBondContact O-CG2 3.45Å; Q25-V29 PolarHBondContact O-N 3.14Å
26	I	85.8	Confident	84.5	Confident	83 Å²	83	109.4 Å²	109.4	43%	0.426	54%	0.541	S	S	.	.	H	α-helix	trans	-61.2	-47.3	176.8	-68	165.6	0	0	0	110.4	L18 E22 E23 R28 V29 L30	L18-I26 HydrophobicContact CD1-CD1 4.23Å; L18-I26 HydrophobicContact CD2-CD1 3.8Å; E22-I26 VanDerWaalsContact O-CG1 3.29Å; E22-I26 WeakPolarHBondContact O-CG1 3.49Å; E22-I26 PolarHBondContact O-N 2.9Å; E23-I26 PolarHBondContact O-N 3.1Å; I26-R28 VanDerWaalsContact C-N 3.27Å; I26-R28 PolarHBondContact O-N 3.37Å; I26-V29 PolarHBondContact O-N 2.78Å; I26-L30 HydrophobicContact CG2-CD1 4.06Å; I26-L30 HydrophobicContact CG2-CG 4.46Å; I26-L30 WeakPolarHBondContact O-CG 3.47Å; I26-L30 PolarHBondContact O-N 2.9Å
27	L	88.4	Confident	84.9	Confident	108 Å²	108	103.7 Å²	103.7	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-61.5	-35.6	177.5	-72.9	171.6	0	0	0	112.2	E23 E24 L30 R31	E23-L27 WeakPolarHBondContact O-CB 3.42Å; E23-L27 WeakPolarHBondContact O-CG 3.29Å; E23-L27 PolarHBondContact O-N 3.29Å; E24-L27 PolarHBondContact O-N 2.59Å; L27-L30 PolarHBondContact O-N 2.96Å; L27-R31 WeakPolarHBondContact O-CB 3.5Å; L27-R31 PolarHBondContact O-N 3.34Å
28	R	89.3	Confident	85.3	Confident	144 Å²	144	104 Å²	104	54%	0.543	52%	0.517	S	S	.	.	H	α-helix	trans	-66.3	-41	176.1	-163.6	-179.7	-63.5	141	-0.2	111.8	E24 Q25 I26 R32	E24-R28 WeakPolarHBondContact O-CB 3.36Å; E24-R28 PolarHBondContact O-N 3.31Å; E24-R28 IonicContact OE1-CZ 3.52Å; E24-R28 IonicContact OE1-NH2 2.75Å; E24-R28 PolarHBondContact OE1-NH2 3.21Å; Q25-R28 WeakPolarHBondContact O-CB 3.42Å; Q25-R28 PolarHBondContact O-N 3.11Å; I26-R28 VanDerWaalsContact C-N 3.27Å; I26-R28 PolarHBondContact O-N 3.37Å; R28-R32 WeakPolarHBondContact O-CB 3.49Å; R28-R32 PolarHBondContact O-N 2.85Å; R28-R32 VanDerWaalsContact O-N 3.08Å
29	V	85.5	Confident	85.4	Confident	86 Å²	86	105 Å²	105	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-66.2	-44.8	175.1	173.4	0	0	0	0	111.2	Q25 I26 R32 N33	Q25-V29 WeakPolarHBondContact O-CG2 3.45Å; Q25-V29 PolarHBondContact O-N 3.14Å; I26-V29 PolarHBondContact O-N 2.78Å; V29-R32 PolarHBondContact O-N 2.81Å; V29-N33 PolarHBondContact O-N 2.82Å
30	L	85.1	Confident	84.9	Confident	88 Å²	88	105.4 Å²	105.4	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-47.3	177.9	-70.6	173.8	0	0	0	111.6	I26 L27 R32 N33 E34	I26-L30 HydrophobicContact CG2-CD1 4.06Å; I26-L30 HydrophobicContact CG2-CG 4.46Å; I26-L30 WeakPolarHBondContact O-CG 3.47Å; I26-L30 PolarHBondContact O-N 2.9Å; L27-L30 PolarHBondContact O-N 2.96Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 2.91Å; L30-N33 PolarHBondContact O-N 3.09Å; L30-N33 VanDerWaalsContact O-N 3.12Å; L30-E34 WeakPolarHBondContact O-CG 3.43Å; L30-E34 PolarHBondContact O-N 3Å
31	R	88.1	Confident	84.6	Confident	171 Å²	171	105.3 Å²	105.3	65%	0.645	51%	0.509	S	S	*	.	H	α-helix	trans	-60	-39.4	176.1	-170.1	-177.6	-62.7	172.2	2.3	112.2	L27 E34 L35	L27-R31 WeakPolarHBondContact O-CB 3.5Å; L27-R31 PolarHBondContact O-N 3.34Å; R31-E34 PolarHBondContact O-N 3.48Å; R31-L35 WeakPolarHBondContact O-CG 3.46Å; R31-L35 PolarHBondContact O-N 2.86Å
32	R	84.9	Confident	84.6	Confident	137 Å²	137	103 Å²	103	52%	0.517	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.1	-174.6	-178.3	-179.9	108.8	-5.2	111.6	R28 V29 L30 L35 L36	R28-R32 WeakPolarHBondContact O-CB 3.49Å; R28-R32 PolarHBondContact O-N 2.85Å; R28-R32 VanDerWaalsContact O-N 3.08Å; V29-R32 PolarHBondContact O-N 2.81Å; L30-R32 VanDerWaalsContact C-N 3.3Å; L30-R32 PolarHBondContact O-N 2.91Å; R32-L35 PolarHBondContact O-N 3.29Å; R32-L36 HydrophobicContact CG-CD1 4.39Å; R32-L36 WeakPolarHBondContact O-CG 3.44Å; R32-L36 PolarHBondContact O-N 3.27Å
33	N	81.3	Confident	84.7	Confident	89 Å²	89	102.7 Å²	102.7	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-39.4	177.8	-75.8	-12.9	0	0	0	112	V29 L30 L36 A37	V29-N33 PolarHBondContact O-N 2.82Å; L30-N33 PolarHBondContact O-N 3.09Å; L30-N33 VanDerWaalsContact O-N 3.12Å; N33-L36 PolarHBondContact O-N 3.07Å; N33-A37 WeakPolarHBondContact O-CB 3.32Å; N33-A37 PolarHBondContact O-N 3.21Å
34	E	88	Confident	84.4	Confident	126 Å²	126	99.8 Å²	99.8	59%	0.589	49%	0.488	S	S	*	.	H	α-helix	trans	-60.7	-47	173.4	-72	170.6	173.3	0	0	111.4	L30 R31 L36 A37 E38	L30-E34 WeakPolarHBondContact O-CG 3.43Å; L30-E34 PolarHBondContact O-N 3Å; R31-E34 PolarHBondContact O-N 3.48Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.63Å; E34-A37 WeakPolarHBondContact O-CB 3.35Å; E34-A37 PolarHBondContact O-N 2.69Å; E34-A37 VanDerWaalsContact O-N 3.15Å; E34-E38 WeakPolarHBondContact O-CG 3.09Å; E34-E38 PolarHBondContact O-N 2.91Å
35	L	87.6	Confident	84.2	Confident	92 Å²	92	99.5 Å²	99.5	48%	0.482	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-39.5	175.8	-73.8	169.9	0	0	0	112.9	R31 R32 E38 N39	R31-L35 WeakPolarHBondContact O-CG 3.46Å; R31-L35 PolarHBondContact O-N 2.86Å; R32-L35 PolarHBondContact O-N 3.29Å; L35-E38 PolarHBondContact O-N 3.37Å; L35-N39 WeakPolarHBondContact O-CB 3.34Å; L35-N39 PolarHBondContact O-N 3.14Å; L35-N39 PolarHBondContact O-ND2 3.15Å
36	L	76.1	Confident	84.2	Confident	95 Å²	95	96.6 Å²	96.6	50%	0.497	48%	0.483	S	S	.	.	H	α-helix	trans	-64.9	-41	175.1	-72.5	171.8	0	0	0	111.4	R32 N33 E34 N39 E40	R32-L36 HydrophobicContact CG-CD1 4.39Å; R32-L36 WeakPolarHBondContact O-CG 3.44Å; R32-L36 PolarHBondContact O-N 3.27Å; N33-L36 PolarHBondContact O-N 3.07Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 2.63Å; L36-N39 PolarHBondContact O-N 3.26Å; L36-E40 WeakPolarHBondContact O-CB 3.26Å; L36-E40 PolarHBondContact O-N 2.92Å
37	A	77.7	Confident	84	Confident	62 Å²	62	94 Å²	94	51%	0.512	47%	0.469	S	S	.	.	H	α-helix	trans	-65.8	-40.4	176.6	0	0	0	0	0	112.2	N33 E34 E40 K41	N33-A37 WeakPolarHBondContact O-CB 3.32Å; N33-A37 PolarHBondContact O-N 3.21Å; E34-A37 WeakPolarHBondContact O-CB 3.35Å; E34-A37 PolarHBondContact O-N 2.69Å; E34-A37 VanDerWaalsContact O-N 3.15Å; A37-E40 PolarHBondContact O-N 3.49Å; A37-K41 WeakPolarHBondContact O-CB 3.46Å; A37-K41 PolarHBondContact O-N 3.3Å
38	E	84.9	Confident	83.8	Confident	125 Å²	125	90.8 Å²	90.8	58%	0.584	45%	0.452	S	S	*	.	H	α-helix	trans	-64.2	-44.1	174.8	-73.9	-178.3	166.2	0	0	112.3	E34 L35 K41 A42	E34-E38 WeakPolarHBondContact O-CG 3.09Å; E34-E38 PolarHBondContact O-N 2.91Å; L35-E38 PolarHBondContact O-N 3.37Å; E38-K41 PolarHBondContact O-N 3.31Å; E38-A42 WeakPolarHBondContact O-CB 3.47Å; E38-A42 PolarHBondContact O-N 3.45Å
39	N	81.6	Confident	83.7	Confident	111 Å²	111	88.3 Å²	88.3	59%	0.594	45%	0.447	S	S	*	.	H	α-helix	trans	-62.5	-42.6	175.7	-78.8	-32.1	0	0	0	112.1	L35 L36 A42 R43	L35-N39 WeakPolarHBondContact O-CB 3.34Å; L35-N39 PolarHBondContact O-N 3.14Å; L35-N39 PolarHBondContact O-ND2 3.15Å; L36-N39 PolarHBondContact O-N 3.26Å; N39-A42 PolarHBondContact O-N 3.06Å; N39-R43 WeakPolarHBondContact O-CB 3.42Å; N39-R43 PolarHBondContact O-N 2.86Å
40	E	77	Confident	83.7	Confident	84 Å²	84	89.4 Å²	89.4	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-65.4	-41.6	176.9	-179.9	57.6	-165.3	0	0	111.5	L36 A37 R43 V44	L36-E40 WeakPolarHBondContact O-CB 3.26Å; L36-E40 PolarHBondContact O-N 2.92Å; A37-E40 PolarHBondContact O-N 3.49Å; E40-R43 WeakPolarHBondContact O-CB 3.14Å; E40-R43 PolarHBondContact O-N 3.45Å; E40-R43 IonicContact OE1-CZ 3.6Å; E40-R43 IonicContact OE1-NE 3.39Å; E40-R43 PolarHBondContact OE1-NE 3.13Å; E40-R43 IonicContact OE1-NH2 2.77Å; E40-R43 PolarHBondContact OE1-NH2 3.49Å; E40-R43 IonicContact OE2-CZ 2.84Å; E40-R43 IonicContact OE2-NE 2.8Å; E40-R43 PolarHBondContact OE2-NE 3.47Å; E40-R43 IonicContact OE2-NH2 3.27Å; E40-R43 PolarHBondContact OE2-NH2 2.89Å; E40-V44 WeakPolarHBondContact O-CG2 3.4Å; E40-V44 PolarHBondContact O-N 3Å
41	K	81.7	Confident	83.6	Confident	105 Å²	105	85.6 Å²	85.6	46%	0.457	42%	0.424	S	S	.	.	H	α-helix	trans	-58.7	-49.3	173.1	174.1	178.5	164.5	165.5	0	111.6	A37 E38 R43 V44 E45 V264	A37-K41 WeakPolarHBondContact O-CB 3.46Å; A37-K41 PolarHBondContact O-N 3.3Å; E38-K41 PolarHBondContact O-N 3.31Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 3.14Å; K41-V44 PolarHBondContact O-N 2.82Å; K41-E45 WeakPolarHBondContact O-CB 3.45Å; K41-E45 PolarHBondContact O-N 2.96Å; K41-V264 HydrophobicContact CD-CG1 3.59Å; K41-V264 HydrophobicContact CG-CG1 4.01Å; K41-V264 VanDerWaalsContact NZ-CG1 3.27Å
42	A	86.5	Confident	83.5	Confident	55 Å²	55	81.2 Å²	81.2	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-38.6	177.8	0	0	0	0	0	112.1	E38 N39 E45 A46	E38-A42 WeakPolarHBondContact O-CB 3.47Å; E38-A42 PolarHBondContact O-N 3.45Å; N39-A42 PolarHBondContact O-N 3.06Å; A42-E45 PolarHBondContact O-N 2.88Å; A42-A46 WeakPolarHBondContact O-CB 3.34Å; A42-A46 PolarHBondContact O-N 3.31Å
43	R	88.8	Confident	83.5	Confident	83 Å²	83	82.5 Å²	82.5	31%	0.313	42%	0.419	S	S	.	.	H	α-helix	trans	-62.1	-47.8	175.7	-172.9	-168.3	73	84.1	-9.4	111.8	N39 E40 K41 M47 R223	N39-R43 WeakPolarHBondContact O-CB 3.42Å; N39-R43 PolarHBondContact O-N 2.86Å; E40-R43 WeakPolarHBondContact O-CB 3.14Å; E40-R43 PolarHBondContact O-N 3.45Å; E40-R43 IonicContact OE1-CZ 3.6Å; E40-R43 IonicContact OE1-NE 3.39Å; E40-R43 PolarHBondContact OE1-NE 3.13Å; E40-R43 IonicContact OE1-NH2 2.77Å; E40-R43 PolarHBondContact OE1-NH2 3.49Å; E40-R43 IonicContact OE2-CZ 2.84Å; E40-R43 IonicContact OE2-NE 2.8Å; E40-R43 PolarHBondContact OE2-NE 3.47Å; E40-R43 IonicContact OE2-NH2 3.27Å; E40-R43 PolarHBondContact OE2-NH2 2.89Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 3.14Å; R43-M47 HydrophobicContact CG-CE 4.27Å; R43-M47 PolarHBondContact NH1-SD 3.14Å; R43-M47 VanDerWaalsContact NH1-SD 3.39Å; R43-M47 WeakPolarHBondContact O-CG 3.38Å; R43-M47 PolarHBondContact O-N 3.38Å; R43-M47 VanDerWaalsContact O-N 3.17Å; R43-R223 PolarHBondContact NH1-O 2.95Å; R43-R223 PolarHBondContact NH2-O 3.46Å
44	V	79.1	Confident	83.5	Confident	30 Å²	30	81.1 Å²	81.1	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-65.4	-43.2	178.7	173.6	0	0	0	0	110.5	E40 K41 A46 M47 L48	E40-V44 WeakPolarHBondContact O-CG2 3.4Å; E40-V44 PolarHBondContact O-N 3Å; K41-V44 PolarHBondContact O-N 2.82Å; V44-A46 PolarHBondContact O-N 3.44Å; V44-M47 WeakPolarHBondContact O-CB 3.01Å; V44-M47 PolarHBondContact O-N 3.47Å; V44-L48 HydrophobicContact CG1-CD1 4.14Å; V44-L48 WeakPolarHBondContact O-CG 3.4Å; V44-L48 PolarHBondContact O-N 2.72Å
45	E	84.7	Confident	83.3	Confident	100 Å²	100	79.5 Å²	79.5	47%	0.467	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-45.4	177.2	-169.1	-179.6	163.5	0	0	112	K41 A42 M47 L48 Q49	K41-E45 WeakPolarHBondContact O-CB 3.45Å; K41-E45 PolarHBondContact O-N 2.96Å; A42-E45 PolarHBondContact O-N 2.88Å; E45-M47 VanDerWaalsContact C-N 3.29Å; E45-M47 PolarHBondContact O-N 3.08Å; E45-L48 PolarHBondContact O-N 2.82Å; E45-L48 VanDerWaalsContact O-N 3.12Å; E45-Q49 WeakPolarHBondContact O-CG 3.3Å; E45-Q49 PolarHBondContact O-N 2.55Å; E45-Q49 PolarHBondContact OE1-NE2 2.97Å
46	A	85.1	Confident	83	Confident	55 Å²	55	81.3 Å²	81.3	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-37.3	176.1	0	0	0	0	0	112.6	A42 V44 K50	A42-A46 WeakPolarHBondContact O-CB 3.34Å; A42-A46 PolarHBondContact O-N 3.31Å; V44-A46 PolarHBondContact O-N 3.44Å; A46-K50 PolarHBondContact O-N 2.76Å
47	M	81.6	Confident	83	Confident	27 Å²	27	81.4 Å²	81.4	13%	0.133	41%	0.413	C	S	.	.	H	α-helix	trans	-64.2	-43.1	173.8	-71.8	-173.9	179.1	0	0	111.8	R43 V44 E45 K50 L51 I220 R223	R43-M47 HydrophobicContact CG-CE 4.27Å; R43-M47 PolarHBondContact NH1-SD 3.14Å; R43-M47 VanDerWaalsContact NH1-SD 3.39Å; R43-M47 WeakPolarHBondContact O-CG 3.38Å; R43-M47 PolarHBondContact O-N 3.38Å; R43-M47 VanDerWaalsContact O-N 3.17Å; V44-M47 WeakPolarHBondContact O-CB 3.01Å; V44-M47 PolarHBondContact O-N 3.47Å; E45-M47 VanDerWaalsContact C-N 3.29Å; E45-M47 PolarHBondContact O-N 3.08Å; M47-K50 WeakPolarHBondContact O-CB 3.5Å; M47-K50 PolarHBondContact O-N 2.74Å; M47-L51 PolarHBondContact O-N 2.86Å; M47-L51 VanDerWaalsContact O-N 3.08Å; M47-I220 HydrophobicContact CB-CD1 4.41Å; M47-I220 HydrophobicContact CB-CG1 4.31Å; M47-I220 HydrophobicContact CB-CG2 4.25Å; M47-I220 WeakPolarHBondContact O-CD1 3.13Å; M47-R223 HydrophobicContact SD-CB 4.24Å
48	L	84.1	Confident	82.8	Confident	42 Å²	42	78.8 Å²	78.8	22%	0.22	39%	0.391	C	S	.	.	H	α-helix	trans	-66.3	-42.4	177.9	-66.6	172.4	0	0	0	112	V44 E45 K50 L51 D52 I220 I260	V44-L48 HydrophobicContact CG1-CD1 4.14Å; V44-L48 WeakPolarHBondContact O-CG 3.4Å; V44-L48 PolarHBondContact O-N 2.72Å; E45-L48 PolarHBondContact O-N 2.82Å; E45-L48 VanDerWaalsContact O-N 3.12Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.13Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 3.29Å; L48-L51 VanDerWaalsContact O-N 3.12Å; L48-D52 PolarHBondContact O-N 2.92Å; L48-I220 HydrophobicContact CD2-CG2 4.08Å; L48-I260 HydrophobicContact CD1-CG2 3.62Å; L48-I260 HydrophobicContact CD2-CG2 3.57Å; L48-I260 HydrophobicContact CG-CG2 4.26Å
49	Q	87.6	Confident	81.8	Confident	91 Å²	91	78.4 Å²	78.4	43%	0.425	39%	0.393	S	S	.	.	H	α-helix	trans	-59.7	-40.2	174.1	-71.4	-180	12.3	0	0	111.8	E45 D52 R53	E45-Q49 WeakPolarHBondContact O-CG 3.3Å; E45-Q49 PolarHBondContact O-N 2.55Å; E45-Q49 PolarHBondContact OE1-NE2 2.97Å; Q49-D52 PolarHBondContact O-N 3.04Å; Q49-R53 WeakPolarHBondContact O-CG 3.45Å; Q49-R53 PolarHBondContact O-N 2.88Å
50	K	85.8	Confident	80.8	Confident	109 Å²	109	73.8 Å²	73.8	47%	0.474	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-43.5	174.1	-174	-167.9	175.2	-154.9	0	111.5	A46 M47 L48 D52 R53 L54 E216	A46-K50 PolarHBondContact O-N 2.76Å; M47-K50 WeakPolarHBondContact O-CB 3.5Å; M47-K50 PolarHBondContact O-N 2.74Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.13Å; K50-D52 VanDerWaalsContact C-N 3.32Å; K50-R53 PolarHBondContact O-N 2.79Å; K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.11Å; K50-L54 VanDerWaalsContact O-N 3.12Å; K50-E216 IonicContact NZ-OE1 2.78Å; K50-E216 PolarHBondContact NZ-OE1 3.34Å
51	L	83	Confident	80.1	Confident	8 Å²	8	80.6 Å²	80.6	4%	0.042	39%	0.391	C	S	.	.	H	α-helix	trans	-63.5	-40.3	177.4	-170.2	72.8	0	0	0	111.7	M47 L48 L54 K55 I213 E216 A217 I220	M47-L51 PolarHBondContact O-N 2.86Å; M47-L51 VanDerWaalsContact O-N 3.08Å; L48-L51 WeakPolarHBondContact O-CB 3.46Å; L48-L51 PolarHBondContact O-N 3.29Å; L48-L51 VanDerWaalsContact O-N 3.12Å; L51-L54 WeakPolarHBondContact O-CB 3.38Å; L51-L54 PolarHBondContact O-N 2.89Å; L51-K55 WeakPolarHBondContact O-CG 3.43Å; L51-K55 PolarHBondContact O-N 2.75Å; L51-I213 HydrophobicContact CD1-CG2 4.34Å; L51-E216 HydrophobicContact CD1-CB 4.11Å; L51-E216 HydrophobicContact CD1-CG 4.17Å; L51-A217 HydrophobicContact CD1-CB 3.92Å; L51-A217 HydrophobicContact CD2-CB 3.83Å; L51-I220 HydrophobicContact CB-CD1 3.65Å; L51-I220 HydrophobicContact CD1-CD1 3.97Å; L51-I220 HydrophobicContact CD2-CD1 4.25Å; L51-I220 HydrophobicContact CG-CD1 4.15Å
52	D	85.3	Confident	79.4	Confident	80 Å²	80	83.9 Å²	83.9	43%	0.428	40%	0.401	S	S	.	.	H	α-helix	trans	-66.3	-42.4	179.5	-160.5	51.3	0	0	0	111.8	L48 Q49 K50 L54 K55 Q56	L48-D52 PolarHBondContact O-N 2.92Å; Q49-D52 PolarHBondContact O-N 3.04Å; K50-D52 VanDerWaalsContact C-N 3.32Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 3.16Å; D52-K55 WeakPolarHBondContact O-CB 3.24Å; D52-K55 PolarHBondContact O-N 3.05Å; D52-K55 VanDerWaalsContact O-N 3.09Å; D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-N 3.17Å; D52-Q56 PolarHBondContact OD2-NE2 2.69Å
53	R	85.5	Confident	78.9	Confident	163 Å²	163	86.4 Å²	86.4	62%	0.615	41%	0.407	S	S	*	.	H	α-helix	trans	-56	-43.8	171.2	-70.5	176.8	-168.8	174.5	5.7	112.1	Q49 K50 K55 Q56 T57	Q49-R53 WeakPolarHBondContact O-CG 3.45Å; Q49-R53 PolarHBondContact O-N 2.88Å; K50-R53 PolarHBondContact O-N 2.79Å; R53-K55 VanDerWaalsContact C-N 3.35Å; R53-K55 PolarHBondContact O-N 3.24Å; R53-Q56 PolarHBondContact O-N 2.81Å; R53-T57 PolarHBondContact O-N 2.78Å; R53-T57 PolarHBondContact O-OG1 2.94Å
54	L	80.8	Confident	78.5	Confident	60 Å²	60	89.6 Å²	89.6	31%	0.314	43%	0.425	S	S	.	.	H	α-helix	trans	-63.5	-40.1	176.8	-71.1	171.2	0	0	0	112	K50 L51 D52 T57 A58 I213 E216	K50-L54 WeakPolarHBondContact O-CG 3.45Å; K50-L54 PolarHBondContact O-N 3.11Å; K50-L54 VanDerWaalsContact O-N 3.12Å; L51-L54 WeakPolarHBondContact O-CB 3.38Å; L51-L54 PolarHBondContact O-N 2.89Å; D52-L54 VanDerWaalsContact C-N 3.3Å; D52-L54 PolarHBondContact O-N 3.16Å; L54-T57 PolarHBondContact O-N 3.41Å; L54-T57 PolarHBondContact O-OG1 3.09Å; L54-A58 PolarHBondContact O-N 2.87Å; L54-I213 HydrophobicContact CB-CD1 4.36Å; L54-I213 HydrophobicContact CB-CG1 4.29Å; L54-I213 WeakPolarHBondContact O-CD1 3.28Å; L54-E216 HydrophobicContact CD1-CG 4.13Å
55	K	84.1	Confident	78.9	Confident	92 Å²	92	90 Å²	90	40%	0.4	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-41.9	176.1	-73.3	176.1	179	-179.9	0	112	L51 D52 R53 T57 A58 I213	L51-K55 WeakPolarHBondContact O-CG 3.43Å; L51-K55 PolarHBondContact O-N 2.75Å; D52-K55 WeakPolarHBondContact O-CB 3.24Å; D52-K55 PolarHBondContact O-N 3.05Å; D52-K55 VanDerWaalsContact O-N 3.09Å; R53-K55 VanDerWaalsContact C-N 3.35Å; R53-K55 PolarHBondContact O-N 3.24Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 2.67Å; K55-A58 PolarHBondContact O-N 2.77Å; K55-A58 VanDerWaalsContact O-N 3.12Å; K55-I213 HydrophobicContact CG-CG2 3.8Å
56	Q	81.1	Confident	79.1	Confident	131 Å²	131	85.3 Å²	85.3	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-63.7	-33.9	178.8	-69.4	173.5	20.3	0	0	112.5	D52 R53 A58	D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-N 3.17Å; D52-Q56 PolarHBondContact OD2-NE2 2.69Å; R53-Q56 PolarHBondContact O-N 2.81Å; Q56-A58 VanDerWaalsContact C-N 3.25Å; Q56-A58 PolarHBondContact O-N 2.7Å
57	T	77	Confident	79.1	Confident	97 Å²	97	82.8 Å²	82.8	60%	0.595	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	175.4	53.3	0	0	0	0	114.2	R53 L54 K55 H70	R53-T57 PolarHBondContact O-N 2.78Å; R53-T57 PolarHBondContact O-OG1 2.94Å; L54-T57 PolarHBondContact O-N 3.41Å; L54-T57 PolarHBondContact O-OG1 3.09Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 2.67Å; T57-H70 PolarHBondContact O-NE2 3.48Å
58	A	72.4	Confident	79.4	Confident	6 Å²	6	83.4 Å²	83.4	5%	0.05	39%	0.386	C	S	.	.			trans	-104.2	70.6	-173.3	0	0	0	0	0	111.6	L54 K55 Q56 A67 L68 I213	L54-A58 PolarHBondContact O-N 2.87Å; K55-A58 PolarHBondContact O-N 2.77Å; K55-A58 VanDerWaalsContact O-N 3.12Å; Q56-A58 VanDerWaalsContact C-N 3.25Å; Q56-A58 PolarHBondContact O-N 2.7Å; A58-A67 WeakPolarHBondContact CA-O 3.39Å; A58-A67 WeakPolarHBondContact CB-O 3.16Å; A58-L68 HydrophobicContact CB-CD2 3.67Å; A58-I213 HydrophobicContact CB-CD1 3.37Å
59	D	64.8	Low	79.6	Confident	118 Å²	118	84.2 Å²	84.2	63%	0.631	39%	0.394	S	S	*	.			trans	-119.9	43.8	-171.8	-148.4	8.7	0	0	0	114.3
60	S	61.6	Low	79.5	Confident	14 Å²	14	84 Å²	84	10%	0.098	39%	0.393	C	S	.	.			trans	-88.5	110.1	165.1	-68	0	0	0	0	110.7	E65 H70	S60-E65 WeakPolarHBondContact CB-OE1 3.26Å; S60-E65 PolarHBondContact OG-OE1 2.98Å; S60-H70 PolarHBondContact OG-CE1 3.02Å; S60-H70 VanDerWaalsContact OG-CE1 3.31Å; S60-H70 PolarHBondContact OG-ND1 2.6Å
61	R	61	Low	79.5	Confident	226 Å²	226	84.1 Å²	84.1	85%	0.853	39%	0.394	S	S	*	.			trans	-81.7	-3.2	166.6	-64	-173.9	-175.1	-161.9	1.4	113.1
62	R	67.1	Low	79.5	Confident	175 Å²	175	91 Å²	91	66%	0.66	43%	0.426	S	S	*	.			trans	-90.6	132.1	-178	-62.3	-177.9	-177	-177.8	1.8	109.6	E64 E65	R62-E64 PolarHBondContact O-N 3.49Å; R62-E65 HydrophobicContact CB-CG 4.32Å
63	N	76.4	Confident	79.5	Confident	108 Å²	108	89 Å²	89	58%	0.578	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	4.4	176.9	-65	-25.6	0	0	0	112.9	Y89	N63-Y89 HydrophobicContact CB-CD2 3.86Å; N63-Y89 HydrophobicContact CB-CE2 3.76Å; N63-Y89 VanDerWaalsContact CG-CE2 3.43Å; N63-Y89 WeakPolarHBondContact OD1-CD2 3.4Å; N63-Y89 VanDerWaalsContact OD1-CE2 3.3Å; N63-Y89 WeakPolarHBondContact OD1-CE2 3.27Å
64	E	80.7	Confident	79	Confident	150 Å²	150	82.8 Å²	82.8	70%	0.701	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-6.3	-172.8	-63.1	174.7	167.7	0	0	112.6	R62 E72 F73	R62-E64 PolarHBondContact O-N 3.49Å; E64-E72 WeakPolarHBondContact O-CA 3.29Å; E64-F73 WeakPolarHBondContact O-CD2 3.33Å; E64-F73 PolarHBondContact O-N 2.94Å
65	E	86.9	Confident	78	Confident	39 Å²	39	87 Å²	87	18%	0.182	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-137.7	157.7	179.8	65.2	-175.7	178.5	0	0	111.7	S60 R62 A67 K71 F73	S60-E65 WeakPolarHBondContact CB-OE1 3.26Å; S60-E65 PolarHBondContact OG-OE1 2.98Å; R62-E65 HydrophobicContact CB-CG 4.32Å; E65-A67 PolarHBondContact O-N 2.72Å; E65-K71 WeakPolarHBondContact CA-O 3.36Å; E65-F73 VanDerWaalsContact C-CZ 3.45Å; E65-F73 WeakPolarHBondContact O-CE2 3.48Å; E65-F73 WeakPolarHBondContact O-CZ 3.12Å
66	C	88.6	Confident	76.9	Confident	0 Å²	0	91 Å²	91	0%	0	44%	0.442	C	S	.	.			trans	-65.3	124.8	175.3	177.6	0	0	0	0	111.1	L68 C69 H70 K71 F73 C91 C94	C66-L68 PolarHBondContact O-N 3.12Å; C66-C69 WeakPolarHBondContact CB-SG 3.45Å; C66-C69 PolarHBondContact O-N 3.09Å; C66-C69 PolarHBondContact SG-SG 2.75Å; C66-H70 VanDerWaalsContact O-CA 3.26Å; C66-H70 WeakPolarHBondContact O-CA 3.14Å; C66-H70 PolarHBondContact O-N 2.9Å; C66-K71 PolarHBondContact N-O 3.03Å; C66-F73 HydrophobicContact CB-CE1 4.18Å; C66-F73 HydrophobicContact CB-CZ 4.23Å; C66-C91 HydrophobicContact CB-CB 4.2Å; C66-C91 PolarHBondContact SG-N 3.29Å; C66-C94 VanDerWaalsContact SG-CB 3.51Å; C66-C94 VanDerWaalsContact SG-SG 3.65Å
67	A	86.9	Confident	76	Confident	3 Å²	3	88.2 Å²	88.2	3%	0.025	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-6.9	-178.1	0	0	0	0	0	116	A58 E65 R88 Y89	A58-A67 WeakPolarHBondContact CA-O 3.39Å; A58-A67 WeakPolarHBondContact CB-O 3.16Å; E65-A67 PolarHBondContact O-N 2.72Å; A67-R88 HydrophobicContact CB-CB 3.9Å; A67-R88 HydrophobicContact CB-CG 4.32Å; A67-Y89 WeakPolarHBondContact CB-O 3.47Å; A67-Y89 PolarHBondContact N-O 2.97Å
68	L	86.7	Confident	75.7	Confident	40 Å²	40	85.3 Å²	85.3	21%	0.209	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-36.4	179	-60.1	-169.1	0	0	0	113.8	A58 C66 V90 C94 C211 K212 I213	A58-L68 HydrophobicContact CB-CD2 3.67Å; C66-L68 PolarHBondContact O-N 3.12Å; L68-V90 HydrophobicContact CD1-CG1 4.32Å; L68-V90 HydrophobicContact CG-CG1 4Å; L68-C94 HydrophobicContact CB-CB 4.06Å; L68-C94 HydrophobicContact CD1-CB 3.97Å; L68-C94 WeakPolarHBondContact CD1-O 3.27Å; L68-C94 HydrophobicContact CG-CB 4.33Å; L68-C211 HydrophobicContact CD1-CB 4.16Å; L68-K212 HydrophobicContact CD1-CB 3.79Å; L68-I213 HydrophobicContact CD1-CG1 4.43Å; L68-I213 HydrophobicContact CD2-CD1 3.3Å; L68-I213 HydrophobicContact CD2-CG1 3.63Å
69	C	88.2	Confident	75.9	Confident	58 Å²	58	90.5 Å²	90.5	39%	0.392	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-1.1	-177	70.1	0	0	0	0	113.8	C66 K71	C66-C69 WeakPolarHBondContact CB-SG 3.45Å; C66-C69 PolarHBondContact O-N 3.09Å; C66-C69 PolarHBondContact SG-SG 2.75Å; C69-K71 PolarHBondContact O-N 3.34Å
70	H	86.1	Confident	76.8	Confident	86 Å²	86	87.9 Å²	87.9	40%	0.398	43%	0.434	S	S	.	.			trans	57.7	15.9	179.2	-50	-72.8	0	0	0	114.6	T57 S60 C66 E72	T57-H70 PolarHBondContact O-NE2 3.48Å; S60-H70 PolarHBondContact OG-CE1 3.02Å; S60-H70 VanDerWaalsContact OG-CE1 3.31Å; S60-H70 PolarHBondContact OG-ND1 2.6Å; C66-H70 VanDerWaalsContact O-CA 3.26Å; C66-H70 WeakPolarHBondContact O-CA 3.14Å; C66-H70 PolarHBondContact O-N 2.9Å; H70-E72 PolarHBondContact O-N 3.29Å
71	K	84.6	Confident	78	Confident	112 Å²	112	88.7 Å²	88.7	49%	0.487	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-76.5	125.7	175.1	-162.8	176.4	-173.4	-168.1	0	109.3	E65 C66 C69 N78	E65-K71 WeakPolarHBondContact CA-O 3.36Å; C66-K71 PolarHBondContact N-O 3.03Å; C69-K71 PolarHBondContact O-N 3.34Å; K71-N78 WeakPolarHBondContact CD-ND2 3.27Å; K71-N78 WeakPolarHBondContact CE-ND2 2.98Å; K71-N78 PolarHBondContact NZ-ND2 3.12Å; K71-N78 PolarHBondContact NZ-OD1 3.39Å
72	E	84.4	Confident	79.2	Confident	153 Å²	153	81.8 Å²	81.8	72%	0.715	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-59	141.5	176.6	-64.8	-178.8	171.6	0	0	111.6	E64 H70	E64-E72 WeakPolarHBondContact O-CA 3.29Å; H70-E72 PolarHBondContact O-N 3.29Å
73	F	84.7	Confident	80.2	Confident	39 Å²	39	73.4 Å²	73.4	17%	0.171	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-78	125.3	174.2	-60.1	-56.8	0	0	0	109.8	E64 E65 C66 N78 P80 Y89 C91	E64-F73 WeakPolarHBondContact O-CD2 3.33Å; E64-F73 PolarHBondContact O-N 2.94Å; E65-F73 VanDerWaalsContact C-CZ 3.45Å; E65-F73 WeakPolarHBondContact O-CE2 3.48Å; E65-F73 WeakPolarHBondContact O-CZ 3.12Å; C66-F73 HydrophobicContact CB-CE1 4.18Å; C66-F73 HydrophobicContact CB-CZ 4.23Å; F73-N78 WeakPolarHBondContact CA-O 3.48Å; F73-N78 WeakPolarHBondContact CD1-O 3.34Å; F73-P80 HydrophobicContact CD1-CB 3.94Å; F73-P80 HydrophobicContact CD2-CB 3.92Å; F73-P80 HydrophobicContact CE1-CB 3.91Å; F73-P80 HydrophobicContact CE2-CB 3.9Å; F73-P80 HydrophobicContact CG-CB 3.94Å; F73-P80 HydrophobicContact CG-CG 4.36Å; F73-P80 HydrophobicContact CZ-CB 3.89Å; F73-Y89 HydrophobicContact CE2-CG 4.43Å; F73-C91 HydrophobicContact CE1-CB 4.33Å
74	G	74.5	Confident	80.7	Confident	32 Å²	32	71 Å²	71	33%	0.33	37%	0.374	S	S	.	.			trans	-109.5	155.1	-177.7	0	0	0	0	0	113.1	L76 S77	G74-L76 PolarHBondContact O-N 3.49Å; G74-L76 VanDerWaalsContact O-N 3.16Å; G74-S77 CarbonylContact C-O 3.45Å; G74-S77 WeakPolarHBondContact CA-O 3.46Å; G74-S77 PolarHBondContact N-O 3.4Å; G74-S77 VanDerWaalsContact N-O 3.14Å
75	H	60.6	Low	80.8	Confident	147 Å²	147	66.5 Å²	66.5	68%	0.681	35%	0.353	S	S	*	.	S	Bend	trans	-61.9	-20	179.3	-90.6	-85.3	0	0	0	115	F192	H75-F192 AromaticContact CE1-CE2 3.38Å; H75-F192 WeakPolarHBondContact CE1-CE2 3.12Å; H75-F192 AromaticContact CE1-CZ 3.85Å; H75-F192 AromaticContact NE2-CE2 3.51Å; H75-F192 AromaticContact NE2-CZ 3.85Å
76	L	62	Low	80.7	Confident	176 Å²	176	66.6 Å²	66.6	92%	0.921	36%	0.357	S	S	*	.	S	Bend	trans	-128.9	-10	-175.6	-64.5	170.7	0	0	0	113.7	G74	G74-L76 PolarHBondContact O-N 3.49Å; G74-L76 VanDerWaalsContact O-N 3.16Å
77	S	60.6	Low	80.5	Confident	74 Å²	74	68.7 Å²	68.7	52%	0.517	38%	0.379	S	S	.	.	S	Bend	trans	-155.1	149.4	177.9	68.9	0	0	0	0	111.3	G74	G74-S77 CarbonylContact C-O 3.45Å; G74-S77 WeakPolarHBondContact CA-O 3.46Å; G74-S77 PolarHBondContact N-O 3.4Å; G74-S77 VanDerWaalsContact N-O 3.14Å
78	N	70.2	Confident	80.5	Confident	36 Å²	36	73.6 Å²	73.6	19%	0.193	40%	0.396	C	S	.	.	S	Bend	trans	59.8	74.3	-169.4	-42.9	-59	0	0	0	113	K71 F73 C91	K71-N78 WeakPolarHBondContact CD-ND2 3.27Å; K71-N78 WeakPolarHBondContact CE-ND2 2.98Å; K71-N78 PolarHBondContact NZ-ND2 3.12Å; K71-N78 PolarHBondContact NZ-OD1 3.39Å; F73-N78 WeakPolarHBondContact CA-O 3.48Å; F73-N78 WeakPolarHBondContact CD1-O 3.34Å; N78-C91 HydrophobicContact CB-CB 4.49Å
79	L	77.2	Confident	80.6	Confident	114 Å²	114	74.4 Å²	74.4	60%	0.597	40%	0.397	S	S	*	.			trans	-73.6	142.9	173.6	-71.2	163.2	0	0	0	111.2
80	P	84.1	Confident	80.6	Confident	63 Å²	63	71.7 Å²	71.7	41%	0.409	38%	0.379	S	S	.	.			trans	-73.3	130.4	175.7	27.2	-31.3	0	0	0	111.6	F73 Y89	F73-P80 HydrophobicContact CD1-CB 3.94Å; F73-P80 HydrophobicContact CD2-CB 3.92Å; F73-P80 HydrophobicContact CE1-CB 3.91Å; F73-P80 HydrophobicContact CE2-CB 3.9Å; F73-P80 HydrophobicContact CG-CB 3.94Å; F73-P80 HydrophobicContact CG-CG 4.36Å; F73-P80 HydrophobicContact CZ-CB 3.89Å; P80-Y89 HydrophobicContact CB-CD1 3.81Å
81	I	86.7	Confident	80.8	Confident	31 Å²	31	67.7 Å²	67.7	16%	0.159	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.7	170.8	-66	172.7	0	0	0	108.1	Y89 V90 T92 C95 F209	I81-Y89 CarbonylContact O-C 3.58Å; I81-Y89 WeakPolarHBondContact O-CA 3.36Å; I81-V90 WeakPolarHBondContact CA-O 3.3Å; I81-V90 HydrophobicContact CB-CG2 4.38Å; I81-V90 WeakPolarHBondContact CB-O 3.07Å; I81-V90 PolarHBondContact N-O 3.25Å; I81-V90 WeakPolarHBondContact O-CG2 3.16Å; I81-V90 PolarHBondContact O-N 3.47Å; I81-T92 HydrophobicContact CD1-CG2 3.66Å; I81-C95 HydrophobicContact CD1-CB 4.42Å; I81-C95 WeakPolarHBondContact CD1-SG 3.38Å; I81-C95 HydrophobicContact CG2-CB 4.16Å; I81-F209 HydrophobicContact CG2-CB 3.52Å; I81-F209 HydrophobicContact CG2-CD1 4.44Å; I81-F209 HydrophobicContact CG2-CD2 4.4Å; I81-F209 HydrophobicContact CG2-CG 3.89Å
82	I	86.9	Confident	80.9	Confident	81 Å²	81	66.6 Å²	66.6	42%	0.415	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.6	178.6	-58.6	172.4	0	0	0	108.4	V84 Y89	I82-V84 PolarHBondContact O-N 3.49Å; I82-Y89 HydrophobicContact CD1-CE1 3.8Å; I82-Y89 HydrophobicContact CG1-CD1 3.76Å; I82-Y89 HydrophobicContact CG1-CE1 3.52Å
83	C	87.6	Confident	81	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.354	C	S	.	.			trans	-63.5	121.9	170.8	175.4	0	0	0	0	110	E85 C86 G87 R88 C211	C83-E85 PolarHBondContact O-N 2.62Å; C83-E85 VanDerWaalsContact O-N 3.13Å; C83-E85 PolarHBondContact SG-N 3.05Å; C83-E85 VanDerWaalsContact SG-N 3.45Å; C83-C86 PolarHBondContact SG-N 3.14Å; C83-G87 VanDerWaalsContact O-CA 3.26Å; C83-G87 WeakPolarHBondContact O-CA 3.33Å; C83-G87 PolarHBondContact O-N 3.4Å; C83-R88 PolarHBondContact N-O 3.07Å; C83-C211 HydrophobicContact CB-CB 3.94Å; C83-C211 PolarHBondContact SG-N 3.37Å
84	V	86.1	Confident	81.2	Confident	58 Å²	58	61.1 Å²	61.1	35%	0.352	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.6	-180	-60.7	0	0	0	0	113.5	I82 F209 V210 S235	I82-V84 PolarHBondContact O-N 3.49Å; V84-F209 WeakPolarHBondContact CG1-O 3.43Å; V84-F209 WeakPolarHBondContact CG2-O 3.08Å; V84-F209 PolarHBondContact N-O 2.79Å; V84-V210 HydrophobicContact CG2-CG1 3.61Å; V84-S235 WeakPolarHBondContact O-CB 3.32Å; V84-S235 PolarHBondContact O-OG 3.01Å
85	E	82.7	Confident	81.9	Confident	54 Å²	54	60.4 Å²	60.4	25%	0.252	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-49.7	-178.3	-69.7	-166.8	167	0	0	114.1	C83 V210 C214 R218	C83-E85 PolarHBondContact O-N 2.62Å; C83-E85 VanDerWaalsContact O-N 3.13Å; C83-E85 PolarHBondContact SG-N 3.05Å; C83-E85 VanDerWaalsContact SG-N 3.45Å; E85-V210 HydrophobicContact CB-CG1 4.49Å; E85-V210 HydrophobicContact CG-CG1 3.82Å; E85-C214 HydrophobicContact CB-CB 4.06Å; E85-C214 VanDerWaalsContact OE2-CB 3.28Å; E85-C214 WeakPolarHBondContact OE2-CB 3.2Å; E85-R218 IonicContact OE1-CZ 3.09Å; E85-R218 IonicContact OE1-NE 3.02Å; E85-R218 PolarHBondContact OE1-NE 3.28Å; E85-R218 IonicContact OE1-NH2 2.77Å; E85-R218 PolarHBondContact OE1-NH2 2.79Å
86	C	85.8	Confident	83.2	Confident	42 Å²	42	55.1 Å²	55.1	28%	0.284	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-4.4	-177.9	66.7	0	0	0	0	114.5	C83 R88 C214	C83-C86 PolarHBondContact SG-N 3.14Å; C86-R88 PolarHBondContact O-N 2.66Å; C86-R88 VanDerWaalsContact O-N 3.14Å; C86-C214 VanDerWaalsContact SG-SG 3.61Å
87	G	85	Confident	84.4	Confident	43 Å²	43	51 Å²	51	44%	0.443	29%	0.294	S	S	.	.			trans	72.2	-1.3	179.5	0	0	0	0	0	115.6	C83	C83-G87 VanDerWaalsContact O-CA 3.26Å; C83-G87 WeakPolarHBondContact O-CA 3.33Å; C83-G87 PolarHBondContact O-N 3.4Å
88	R	86.1	Confident	85.2	Confident	106 Å²	106	48.6 Å²	48.6	40%	0.4	28%	0.275	S	S	.	.			trans	-70.6	145	179.3	-65.9	-176.9	178.6	90.7	-5	111.9	A67 C83 C86	A67-R88 HydrophobicContact CB-CB 3.9Å; A67-R88 HydrophobicContact CB-CG 4.32Å; C83-R88 PolarHBondContact N-O 3.07Å; C86-R88 PolarHBondContact O-N 2.66Å; C86-R88 VanDerWaalsContact O-N 3.14Å
89	Y	88	Confident	84.9	Confident	58 Å²	58	52.9 Å²	52.9	23%	0.227	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.6	171.1	-66.1	-86.3	0	0	0	110.6	N63 A67 F73 P80 I81 I82	N63-Y89 HydrophobicContact CB-CD2 3.86Å; N63-Y89 HydrophobicContact CB-CE2 3.76Å; N63-Y89 VanDerWaalsContact CG-CE2 3.43Å; N63-Y89 WeakPolarHBondContact OD1-CD2 3.4Å; N63-Y89 VanDerWaalsContact OD1-CE2 3.3Å; N63-Y89 WeakPolarHBondContact OD1-CE2 3.27Å; A67-Y89 WeakPolarHBondContact CB-O 3.47Å; A67-Y89 PolarHBondContact N-O 2.97Å; F73-Y89 HydrophobicContact CE2-CG 4.43Å; P80-Y89 HydrophobicContact CB-CD1 3.81Å; I81-Y89 CarbonylContact O-C 3.58Å; I81-Y89 WeakPolarHBondContact O-CA 3.36Å; I82-Y89 HydrophobicContact CD1-CE1 3.8Å; I82-Y89 HydrophobicContact CG1-CD1 3.76Å; I82-Y89 HydrophobicContact CG1-CE1 3.52Å
90	V	89.2	Confident	83.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.7	178.3	-69	0	0	0	0	110.4	L68 I81 C94 C95 C211	L68-V90 HydrophobicContact CD1-CG1 4.32Å; L68-V90 HydrophobicContact CG-CG1 4Å; I81-V90 WeakPolarHBondContact CA-O 3.3Å; I81-V90 HydrophobicContact CB-CG2 4.38Å; I81-V90 WeakPolarHBondContact CB-O 3.07Å; I81-V90 PolarHBondContact N-O 3.25Å; I81-V90 WeakPolarHBondContact O-CG2 3.16Å; I81-V90 PolarHBondContact O-N 3.47Å; V90-C94 HydrophobicContact CB-CB 3.99Å; V90-C94 HydrophobicContact CG1-CB 4.44Å; V90-C95 HydrophobicContact CG2-CB 3.77Å; V90-C211 HydrophobicContact CG1-CB 3.65Å; V90-C211 HydrophobicContact CG2-CB 4.25Å
91	C	89.2	Confident	81.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.02	29%	0.288	C	S	.	.			trans	-75	166.4	172.3	69.5	0	0	0	0	111.1	C66 F73 N78 A93 C94 C95	C66-C91 HydrophobicContact CB-CB 4.2Å; C66-C91 PolarHBondContact SG-N 3.29Å; F73-C91 HydrophobicContact CE1-CB 4.33Å; N78-C91 HydrophobicContact CB-CB 4.49Å; C91-A93 PolarHBondContact O-N 3.05Å; C91-A93 VanDerWaalsContact O-N 3.14Å; C91-C94 CarbonylContact O-C 3.59Å; C91-C94 WeakPolarHBondContact O-CA 3.45Å; C91-C94 PolarHBondContact O-N 3.21Å; C91-C94 VanDerWaalsContact SG-SG 3.61Å; C91-C95 PolarHBondContact O-N 3.2Å
92	T	86.6	Confident	79.1	Confident	89 Å²	89	53.8 Å²	53.8	55%	0.546	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.5	175.3	50.2	0	0	0	0	114	I81 C94 C95	I81-T92 HydrophobicContact CD1-CG2 3.66Å; T92-C94 VanDerWaalsContact C-N 3.33Å; T92-C95 PolarHBondContact O-SG 2.87Å
93	A	87.2	Confident	76.6	Confident	63 Å²	63	56 Å²	56	52%	0.521	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.1	176.4	0	0	0	0	0	113.6	C91 K212	C91-A93 PolarHBondContact O-N 3.05Å; C91-A93 VanDerWaalsContact O-N 3.14Å; A93-K212 WeakPolarHBondContact O-CE 3.49Å; A93-K212 PolarHBondContact O-NZ 3.44Å
94	C	89.7	Confident	74	Confident	13 Å²	13	63.4 Å²	63.4	9%	0.088	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-1.1	-176.6	-76.6	0	0	0	0	113	C66 L68 V90 C91 T92 K212	C66-C94 VanDerWaalsContact SG-CB 3.51Å; C66-C94 VanDerWaalsContact SG-SG 3.65Å; L68-C94 HydrophobicContact CB-CB 4.06Å; L68-C94 HydrophobicContact CD1-CB 3.97Å; L68-C94 WeakPolarHBondContact CD1-O 3.27Å; L68-C94 HydrophobicContact CG-CB 4.33Å; V90-C94 HydrophobicContact CB-CB 3.99Å; V90-C94 HydrophobicContact CG1-CB 4.44Å; C91-C94 CarbonylContact O-C 3.59Å; C91-C94 WeakPolarHBondContact O-CA 3.45Å; C91-C94 PolarHBondContact O-N 3.21Å; C91-C94 VanDerWaalsContact SG-SG 3.61Å; T92-C94 VanDerWaalsContact C-N 3.33Å; C94-K212 PolarHBondContact O-N 2.71Å
95	C	89.6	Confident	71.4	Confident	17 Å²	17	72 Å²	72	12%	0.115	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	160.9	168.6	69.7	0	0	0	0	111.8	I81 V90 C91 T92 V210	I81-C95 HydrophobicContact CD1-CB 4.42Å; I81-C95 WeakPolarHBondContact CD1-SG 3.38Å; I81-C95 HydrophobicContact CG2-CB 4.16Å; V90-C95 HydrophobicContact CG2-CB 3.77Å; C91-C95 PolarHBondContact O-N 3.2Å; T92-C95 PolarHBondContact O-SG 2.87Å; C95-V210 CarbonylContact C-O 3.58Å; C95-V210 VanDerWaalsContact CA-O 3.24Å; C95-V210 WeakPolarHBondContact CA-O 3.18Å
96	V	87.7	Confident	68.8	Low	36 Å²	36	77 Å²	77	22%	0.218	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.8	169.2	-176	0	0	0	0	107.1	F209 V210 K212 Y215	V96-F209 WeakPolarHBondContact O-CA 3.18Å; V96-V210 HydrophobicContact CB-CG2 4.27Å; V96-V210 PolarHBondContact N-O 3.42Å; V96-V210 PolarHBondContact O-N 2.77Å; V96-K212 HydrophobicContact CG2-CG 4.01Å; V96-Y215 HydrophobicContact CB-CD2 3.89Å; V96-Y215 HydrophobicContact CB-CE2 4.47Å; V96-Y215 HydrophobicContact CB-CG 4.11Å; V96-Y215 HydrophobicContact CG1-CD2 3.6Å; V96-Y215 HydrophobicContact CG1-CE2 3.69Å; V96-Y215 HydrophobicContact CG1-CG 4.17Å; V96-Y215 HydrophobicContact CG2-CD1 4.29Å; V96-Y215 HydrophobicContact CG2-CD2 4.18Å; V96-Y215 HydrophobicContact CG2-CG 3.9Å
97	E	86.2	Confident	66.2	Low	91 Å²	91	80.2 Å²	80.2	43%	0.425	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126.8	173.3	-172.7	168.8	-142	0	0	110.1	H207 F209	E97-H207 VanDerWaalsContact CD-ND1 3.3Å; E97-H207 WeakPolarHBondContact OE1-CB 3.2Å; E97-H207 IonicContact OE1-CE1 3.92Å; E97-H207 IonicContact OE1-CG 3.23Å; E97-H207 VanDerWaalsContact OE1-CG 3.23Å; E97-H207 IonicContact OE1-ND1 3.52Å; E97-H207 PolarHBondContact OE1-ND1 2.8Å; E97-F209 HydrophobicContact CB-CD1 3.97Å; E97-F209 HydrophobicContact CB-CE1 3.69Å; E97-F209 HydrophobicContact CG-CD1 4.31Å; E97-F209 HydrophobicContact CG-CE1 3.79Å; E97-F209 HydrophobicContact CG-CZ 4.12Å
98	L	77.3	Confident	63.7	Low	23 Å²	23	86.3 Å²	86.3	12%	0.12	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.3	173	-61.6	175.7	0	0	0	108.2	I100 S208 V210 Y215 R218	L98-I100 HydrophobicContact CB-CG1 4.37Å; L98-I100 PolarHBondContact O-N 2.85Å; L98-S208 WeakPolarHBondContact CA-O 3.45Å; L98-S208 WeakPolarHBondContact CB-O 3.22Å; L98-S208 PolarHBondContact N-O 2.88Å; L98-S208 PolarHBondContact O-N 2.99Å; L98-S208 VanDerWaalsContact O-N 3.1Å; L98-V210 HydrophobicContact CD1-CB 4.22Å; L98-V210 HydrophobicContact CD1-CG1 3.47Å; L98-V210 VanDerWaalsContact CD1-CG1 3.47Å; L98-V210 HydrophobicContact CD1-CG2 3.71Å; L98-V210 HydrophobicContact CD2-CG2 4.12Å; L98-V210 HydrophobicContact CG-CG1 4.34Å; L98-V210 HydrophobicContact CG-CG2 3.77Å; L98-Y215 HydrophobicContact CD2-CD2 4.08Å; L98-Y215 HydrophobicContact CD2-CE2 4.22Å; L98-R218 VanDerWaalsContact CD1-NH1 3.33Å
99	I	64	Low	61.2	Low	126 Å²	126	87 Å²	87	65%	0.646	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	97.8	165	-56.5	173	0	0	0	106.1	P101	I99-P101 WeakPolarHBondContact O-CD 3.46Å
100	I	52.5	Low	58.7	Low	80 Å²	80	93.9 Å²	93.9	41%	0.41	49%	0.491	S	S	.	.			trans	-86	116.6	169.1	-56.5	177.4	0	0	0	105.6	L98	L98-I100 HydrophobicContact CB-CG1 4.37Å; L98-I100 PolarHBondContact O-N 2.85Å
101	P	38.3	Very low	55.9	Low	62 Å²	62	105.1 Å²	105.1	40%	0.403	53%	0.533	S	S	.	.			trans	-56.6	134.7	173.4	-17.7	29	0	0	0	108.6	I99 L103	I99-P101 WeakPolarHBondContact O-CD 3.46Å; P101-L103 PolarHBondContact O-N 2.81Å
102	P	35.4	Very low	53.2	Low	85 Å²	85	112.3 Å²	112.3	55%	0.552	57%	0.571	S	S	*	*			trans	-61.8	114.9	-179.5	22.4	-27.8	0	0	0	108.3	H104 N206	P102-H104 PolarHBondContact O-N 3.17Å; P102-H104 VanDerWaalsContact O-N 3.13Å; P102-N206 WeakPolarHBondContact CB-OD1 3.28Å; P102-N206 WeakPolarHBondContact CD-ND2 3.43Å
103	L	35.1	Very low	50.7	Low	126 Å²	126	113 Å²	113	66%	0.66	58%	0.58	S	S	*	*			trans	-67.8	109	159.3	-73.2	175.2	0	0	0	106.1	P101 R105	P101-L103 PolarHBondContact O-N 2.81Å; L103-R105 PolarHBondContact O-N 2.93Å
104	H	31.8	Very low	47.9	Very low	157 Å²	157	117.5 Å²	117.5	73%	0.727	59%	0.594	S	S	*	*			trans	-56.4	100.6	-178.9	-153.1	79.4	0	0	0	109.7	P102 Q106	P102-H104 PolarHBondContact O-N 3.17Å; P102-H104 VanDerWaalsContact O-N 3.13Å; H104-Q106 PolarHBondContact O-N 3.39Å
105	R	31.6	Very low	45.2	Very low	239 Å²	239	125.2 Å²	125.2	90%	0.902	63%	0.633	S	S	*	*			trans	-73.8	107.3	162.1	-97.8	-172.5	-175.3	-148.4	-0.1	106.4	L103	L103-R105 PolarHBondContact O-N 2.93Å
106	Q	28.6	Very low	42.3	Very low	159 Å²	159	129.9 Å²	129.9	74%	0.743	66%	0.657	S	S	*	*			trans	-58.9	138.7	166.7	-72.3	-153.4	-9.9	0	0	110	H104 I108	H104-Q106 PolarHBondContact O-N 3.39Å; Q106-I108 PolarHBondContact O-N 2.84Å
107	P	32.2	Very low	39.5	Very low	108 Å²	108	136.4 Å²	136.4	70%	0.701	68%	0.683	S	S	*	*			trans	-68.8	117	174	-5.8	20.9	0	0	0	108.9	T109	P107-T109 PolarHBondContact O-N 2.82Å; P107-T109 VanDerWaalsContact O-N 3.08Å
108	I	31.5	Very low	36.8	Very low	171 Å²	171	139.4 Å²	139.4	88%	0.877	70%	0.697	S	S	*	*			trans	-72.6	101	170.6	-61.4	169.6	0	0	0	107.4	Q106	Q106-I108 PolarHBondContact O-N 2.84Å
109	T	34.3	Very low	34.3	Very low	122 Å²	122	150.6 Å²	150.6	75%	0.748	74%	0.738	S	S	*	*			trans	-127.9	124.3	160.6	56.6	0	0	0	0	110.5	P107	P107-T109 PolarHBondContact O-N 2.82Å; P107-T109 VanDerWaalsContact O-N 3.08Å
110	K	34.2	Very low	32.6	Very low	202 Å²	202	151.3 Å²	151.3	88%	0.878	74%	0.74	S	S	*	*			trans	92.3	87.4	171.9	-59.7	-171.9	179.2	179.7	0	117.5
111	R	30.8	Very low	31.4	Very low	235 Å²	235	152.9 Å²	152.9	89%	0.887	76%	0.758	S	S	*	*			trans	6.3	144.3	138.9	-83.8	179	172.9	148.5	-2.3	119.6
112	N	32.3	Very low	31	Very low	155 Å²	155	156.2 Å²	156.2	83%	0.829	77%	0.773	S	S	*	*			trans	97.1	120.7	166	-57.3	-12.8	0	0	0	112.3
113	S	34.4	Very low	30.8	Very low	103 Å²	103	158.3 Å²	158.3	72%	0.72	78%	0.784	S	S	*	*			cis	-164.9	133.6	10.3	47.8	0	0	0	0	108.9
114	L	29	Very low	30.4	Very low	157 Å²	157	164.1 Å²	164.1	82%	0.822	80%	0.799	S	S	*	*			trans	48.8	94.2	146.1	-56.9	171.9	0	0	0	118
115	L	33.1	Very low	30.3	Very low	175 Å²	175	160.1 Å²	160.1	92%	0.916	80%	0.8	S	S	*	*				-159.8	102.5	123.6	-97.1	162.8	0	0	0	107.5
116	N	27.7	Very low	30.2	Very low	116 Å²	116	155.3 Å²	155.3	62%	0.62	80%	0.803	S	S	*	*			trans	-49.4	151.7	161.1	-68.6	-27.3	0	0	0	108.9
117	F	29.9	Very low	30.3	Very low	172 Å²	172	151.3 Å²	151.3	75%	0.754	81%	0.805	S	S	*	*				-166.7	124.2	61.4	-79.5	-82.1	0	0	0	107.2
118	Q	28.5	Very low	30.2	Very low	155 Å²	155	154.1 Å²	154.1	72%	0.724	81%	0.814	S	S	*	*				68.8	102.4	93.5	-162.1	141.6	-2.9	0	0	113.2	M120	Q118-M120 PolarHBondContact O-N 2.79Å
119	W	24.8	Very low	30	Very low	257 Å²	257	150.5 Å²	150.5	97%	0.973	80%	0.804	S	S	*	*			trans	-61.1	119.4	171.4	-66.6	46.3	0	0	0	108.7
120	M	28.8	Very low	29.8	Very low	141 Å²	141	151.8 Å²	151.8	70%	0.695	81%	0.805	S	S	*	*			trans	-131.9	100.1	163.4	-67	-168.6	77.8	0	0	108.6	Q118 N122	Q118-M120 PolarHBondContact O-N 2.79Å; M120-N122 PolarHBondContact O-N 3.41Å
121	S	26.4	Very low	29.5	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	80%	0.798	S	S	*	*			trans	-45.7	122.7	141.9	-44.9	0	0	0	0	107.5
122	N	30	Very low	29.5	Very low	133 Å²	133	142.8 Å²	142.8	71%	0.711	79%	0.789	S	S	*	*			trans	-150.3	120.9	155.5	-100	-14.1	0	0	0	111	M120	M120-N122 PolarHBondContact O-N 3.41Å
123	T	31.5	Very low	29.3	Very low	129 Å²	129	140 Å²	140	79%	0.791	78%	0.781	S	S	*	*			trans	-47.6	146.2	165.1	26.8	0	0	0	0	113.2	G125	T123-G125 PolarHBondContact O-N 2.95Å
124	Y	26.9	Very low	29.2	Very low	248 Å²	248	143.5 Å²	143.5	97%	0.973	78%	0.784	S	S	*	*			trans	-52.8	130	168.4	-83.5	-97.6	0	0	0	111.2
125	G	30.3	Very low	29.3	Very low	73 Å²	73	143.5 Å²	143.5	75%	0.753	78%	0.779	S	S	*	*			trans	-153.2	110.9	171	0	0	0	0	0	108.9	T123	T123-G125 PolarHBondContact O-N 2.95Å
126	S	29.3	Very low	29.2	Very low	137 Å²	137	143 Å²	143	96%	0.958	77%	0.772	S	S	*	*			trans	-24.8	143.8	170	-161	0	0	0	0	116.8
127	G	30.8	Very low	29.4	Very low	76 Å²	76	144.2 Å²	144.2	78%	0.784	78%	0.784	S	S	*	*			trans	167.4	102.4	165.9	0	0	0	0	0	115.2
128	N	28.8	Very low	29.2	Very low	167 Å²	167	145.8 Å²	145.8	89%	0.893	79%	0.786	S	S	*	*			trans	-67.6	147.9	-178.8	-115.1	-5.6	0	0	0	114.6
129	S	27.8	Very low	29.3	Very low	95 Å²	95	148.5 Å²	148.5	66%	0.664	80%	0.796	S	S	*	*			trans	87.6	134.7	132.5	-134	0	0	0	0	123
130	L	31.4	Very low	29.5	Very low	148 Å²	148	141.6 Å²	141.6	78%	0.775	78%	0.782	S	S	*	*			trans	83.2	90.4	146.4	-71.4	142.7	0	0	0	120.9
131	N	27.1	Very low	29.5	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	79%	0.79	S	S	*	*				70	137.4	105.6	-139.9	8.2	0	0	0	122.1
132	T	30.5	Very low	29.7	Very low	111 Å²	111	144.7 Å²	144.7	68%	0.681	79%	0.789	S	S	*	*			trans	95	104.5	151.7	73.3	0	0	0	0	121
133	S	29.4	Very low	29.7	Very low	97 Å²	97	146 Å²	146	68%	0.678	79%	0.791	S	S	*	*				69.9	117.1	118	-81.9	0	0	0	0	123.1
134	K	31.3	Very low	29.8	Very low	177 Å²	177	145.4 Å²	145.4	77%	0.77	79%	0.788	S	S	*	*				104.2	143.7	115.6	-80	178	-177	-178.5	0	120.6
135	H	31.6	Very low	30	Very low	157 Å²	157	144.1 Å²	144.1	73%	0.727	78%	0.781	S	S	*	*			trans	83.3	103.6	163.1	-78.6	-78.2	0	0	0	117.8
136	Q	29.7	Very low	30.2	Very low	164 Å²	164	148.6 Å²	148.6	77%	0.766	78%	0.782	S	S	*	*				53.3	114	73	-84.1	-175.5	-9.6	0	0	114.8
137	T	33.3	Very low	30.3	Very low	141 Å²	141	149.3 Å²	149.3	87%	0.865	78%	0.776	S	S	*	*				177.4	152.9	107.4	30.8	0	0	0	0	113.3
138	Y	25.2	Very low	30.5	Very low	205 Å²	205	155 Å²	155	80%	0.804	78%	0.781	S	S	*	*			trans	-70.9	163.8	-173.6	-86.3	-111	0	0	0	115.4
139	F	29.7	Very low	30.6	Very low	212 Å²	212	154.6 Å²	154.6	93%	0.93	78%	0.78	S	S	*	*				-171.3	143.5	121.5	-101.4	-73	0	0	0	112.4
140	T	29.9	Very low	30.8	Very low	112 Å²	112	156.5 Å²	156.5	69%	0.687	79%	0.787	S	S	*	*			trans	-125.8	164.9	-178.5	40.1	0	0	0	0	111.8
141	M	28.3	Very low	30.7	Very low	174 Å²	174	156.1 Å²	156.1	86%	0.857	79%	0.791	S	S	*	*			trans	81.3	140.5	168.3	-62.2	-173.7	137.1	0	0	115.4
142	D	31.2	Very low	31	Very low	145 Å²	145	157.5 Å²	157.5	78%	0.775	80%	0.798	S	S	*	*			cis	-162.8	169.4	41.7	-150.9	-8.8	0	0	0	113.7
143	Q	30.3	Very low	30.9	Very low	160 Å²	160	158.3 Å²	158.3	75%	0.748	80%	0.803	S	S	*	*			trans	-81	158	-176.3	-61.5	173.2	20.4	0	0	114.7
144	T	33.4	Very low	31.1	Very low	118 Å²	118	161.5 Å²	161.5	72%	0.724	81%	0.812	S	S	*	*				145.4	137.6	117.9	50.3	0	0	0	0	115.7
145	R	30.6	Very low	31.1	Very low	221 Å²	221	157.8 Å²	157.8	83%	0.834	81%	0.808	S	S	*	*			trans	58.1	140.9	146.2	-78.9	180	153.3	-155.7	-5.2	118.5
146	Q	35.7	Very low	31.5	Very low	166 Å²	166	157.1 Å²	157.1	78%	0.776	81%	0.81	S	S	*	*			cis	-171.8	155.7	44.9	-128.2	162.2	17.2	0	0	109.7
147	N	31.1	Very low	31.9	Very low	153 Å²	153	155.2 Å²	155.2	82%	0.818	81%	0.805	S	S	*	*			trans	-57.2	153.4	172.5	-80.2	-25.4	0	0	0	114.7
148	Q	34.8	Very low	32.1	Very low	194 Å²	194	154.4 Å²	154.4	91%	0.907	80%	0.795	S	S	*	*				-170.5	131.1	126.9	-102.1	167.3	49.9	0	0	112.6
149	N	30.1	Very low	32.7	Very low	160 Å²	160	152.4 Å²	152.4	86%	0.856	79%	0.791	S	S	*	*			trans	-80.8	142.3	167	-83.1	-26.8	0	0	0	110.1
150	T	33	Very low	32.9	Very low	134 Å²	134	148.1 Å²	148.1	82%	0.822	78%	0.782	S	S	*	*			trans	-164.1	121.3	146.4	20	0	0	0	0	111.2
151	T	28.8	Very low	33.2	Very low	140 Å²	140	148.8 Å²	148.8	86%	0.859	79%	0.786	S	S	*	*			trans	-70.9	135.9	161.5	5.3	0	0	0	0	110
152	L	32.7	Very low	33.4	Very low	166 Å²	166	146.1 Å²	146.1	87%	0.869	78%	0.779	S	S	*	*			trans	-156.1	120.5	158.2	-97.8	164.1	0	0	0	110
153	T	27.8	Very low	33.7	Very low	128 Å²	128	144.7 Å²	144.7	79%	0.785	78%	0.781	S	S	*	*			trans	-73.9	139.6	164.2	44.3	0	0	0	0	110.4
154	N	33.9	Very low	33.7	Very low	165 Å²	165	144.7 Å²	144.7	88%	0.882	79%	0.786	S	S	*	*			trans	-159.7	131.8	148	-115.7	-15	0	0	0	113.2
155	S	32.4	Very low	34	Very low	98 Å²	98	145.7 Å²	145.7	69%	0.685	79%	0.792	S	S	*	*			trans	-79.1	164.1	175.9	-34.3	0	0	0	0	111.7
156	N	38.6	Very low	34.2	Very low	143 Å²	143	142 Å²	142	77%	0.765	79%	0.789	S	S	*	*			trans	146.5	137.5	154.9	-75.9	-19.2	0	0	0	108
157	N	38.4	Very low	34.2	Very low	124 Å²	124	143 Å²	143	66%	0.663	79%	0.791	S	S	*	*			cis	-175.7	153.8	7.4	-116	-28.6	0	0	0	109.6
158	L	38.4	Very low	34.2	Very low	124 Å²	124	140.1 Å²	140.1	65%	0.649	78%	0.782	S	S	*	*			trans	69.5	138.8	147.9	-85.1	67.5	0	0	0	118.8
159	K	36.8	Very low	34.3	Very low	164 Å²	164	140.8 Å²	140.8	71%	0.713	78%	0.776	S	S	*	*			cis	-174.9	143.9	11.8	-131.3	169.1	-161.9	176	0	111.4
160	T	35.2	Very low	34.5	Very low	122 Å²	122	140.7 Å²	140.7	75%	0.748	77%	0.769	S	S	*	*			trans	60.1	144	141.1	43.3	0	0	0	0	120.8
161	V	35.4	Very low	34.4	Very low	126 Å²	126	140.8 Å²	140.8	76%	0.764	76%	0.764	S	S	*	*			cis	-167.4	157.5	7	132.1	0	0	0	0	110.9
162	T	33.7	Very low	34.7	Very low	117 Å²	117	140.2 Å²	140.2	72%	0.718	76%	0.755	S	S	*	*			trans	-42.7	161.9	178.7	60	0	0	0	0	119
163	S	37.4	Very low	34.9	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	75%	0.752	S	S	*	*				173	160.7	61.4	48.4	0	0	0	0	112.8
164	N	29.4	Very low	35.1	Very low	159 Å²	159	148 Å²	148	85%	0.85	76%	0.758	S	S	*	*			trans	-82.5	156.1	-178.9	-76.2	-40.3	0	0	0	115.4
165	T	39.5	Very low	35.2	Very low	140 Å²	140	145.2 Å²	145.2	86%	0.859	75%	0.752	S	S	*	*			trans	-171.3	171.8	144.9	48.1	0	0	0	0	110.5
166	N	35.9	Very low	35.5	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	75%	0.754	S	S	*	*				-160.6	134.4	-66.1	-130.8	-18.9	0	0	0	107.5
167	K	34.3	Very low	35.4	Very low	187 Å²	187	145.7 Å²	145.7	81%	0.813	76%	0.755	S	S	*	*			trans	19.3	128.4	152.9	-73.8	172.2	176.1	171.7	0	124.9
168	S	31.5	Very low	35.2	Very low	92 Å²	92	148.3 Å²	148.3	64%	0.643	77%	0.765	S	S	*	*				42.9	135.3	127.4	84.5	0	0	0	0	124
169	R	36.6	Very low	35	Very low	208 Å²	208	145.6 Å²	145.6	79%	0.785	77%	0.766	S	S	*	*				160.8	146.2	106.5	-99.2	163.8	-174.1	-173.7	9.6	116.8
170	F	34.2	Very low	34.8	Very low	158 Å²	158	143.8 Å²	143.8	69%	0.693	77%	0.769	S	S	*	*			trans	80.3	110.6	140.3	-72.4	-58.5	0	0	0	125.1
171	L	32.3	Very low	34.5	Very low	137 Å²	137	145.3 Å²	145.3	72%	0.717	77%	0.772	S	S	*	*				35	132.8	126.7	-61.3	172.4	0	0	0	121.4
172	N	35.4	Very low	34.4	Very low	127 Å²	127	145.9 Å²	145.9	68%	0.679	77%	0.771	S	S	*	*				163.7	149.8	83.9	-116.9	-23.6	0	0	0	115
173	R	35.9	Very low	34.4	Very low	213 Å²	213	145.7 Å²	145.7	80%	0.804	78%	0.775	S	S	*	*			trans	61.9	114.3	148.3	-68.2	179.6	-178.7	-160.2	-0.3	121.4
174	R	32.9	Very low	34.2	Very low	244 Å²	244	144.7 Å²	144.7	92%	0.921	77%	0.773	S	S	*	*				57.5	126	93.5	-82.5	-172	169.9	-174.6	-2.4	113
175	S	35.1	Very low	34.6	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	76%	0.758	S	S	*	*			cis	-175.1	162.2	45.9	47.6	0	0	0	0	113
176	S	38.6	Very low	34.5	Very low	103 Å²	103	139 Å²	139	72%	0.72	75%	0.746	S	S	*	*			trans	78	138.4	146.2	173.1	0	0	0	0	118
177	L	37.1	Very low	34.4	Very low	148 Å²	148	139.1 Å²	139.1	78%	0.775	74%	0.741	S	S	*	*			cis	-164.7	148.4	5.2	-111.6	161.1	0	0	0	108.1
178	M	34.3	Very low	34.5	Very low	179 Å²	179	132.6 Å²	132.6	88%	0.882	72%	0.719	S	S	*	*			trans	65.7	126.6	147.7	-69.9	-91.7	-98.7	0	0	121.7
179	G	32.9	Very low	34.8	Very low	66 Å²	66	134.5 Å²	134.5	68%	0.68	72%	0.718	S	S	*	*			trans	156.4	43.2	159.4	0	0	0	0	0	118.2
180	T	33.1	Very low	34.9	Very low	126 Å²	126	131.2 Å²	131.2	77%	0.773	71%	0.712	S	S	*	*			trans	29.7	129.3	143.1	23.7	0	0	0	0	122.3
181	L	29.9	Very low	35.1	Very low	154 Å²	154	129 Å²	129	81%	0.806	71%	0.706	S	S	*	*			trans	81.7	96.7	143.5	-58.4	161.2	0	0	0	117.6
182	N	32.2	Very low	35.4	Very low	139 Å²	139	128.1 Å²	128.1	74%	0.743	70%	0.697	S	S	*	*			trans	157.8	16.8	141.1	-80.6	-19.9	0	0	0	115.6	A184	N182-A184 PolarHBondContact O-N 2.86Å
183	S	34	Very low	35.5	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	5.4	-174.5	-61.9	0	0	0	0	117.1
184	A	34	Very low	35.4	Very low	95 Å²	95	126.6 Å²	126.6	79%	0.785	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-17.5	174.7	0	0	0	0	0	114	N182	N182-A184 PolarHBondContact O-N 2.86Å
185	A	36.8	Very low	35.7	Very low	63 Å²	63	119.2 Å²	119.2	52%	0.521	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-22.8	-177	0	0	0	0	0	114
186	L	37.1	Very low	35.8	Very low	117 Å²	117	121.5 Å²	121.5	61%	0.613	67%	0.67	S	S	*	*	H	α-helix	trans	-90	-14.3	-176	-82.2	157.5	0	0	0	114.3
187	H	34.8	Very low	35.7	Very low	144 Å²	144	122 Å²	122	67%	0.667	67%	0.669	S	S	*	*	H	α-helix	trans	-88.4	-12.5	173.7	-122.6	-101.1	0	0	0	113.5
188	S	35.5	Very low	35.4	Very low	51 Å²	51	120.8 Å²	120.8	36%	0.357	66%	0.657	S	S	.	*	H	α-helix	trans	-80.6	-38.3	173.6	178.5	0	0	0	0	111.9	L191 F192	S188-L191 PolarHBondContact O-N 2.87Å; S188-F192 PolarHBondContact O-N 2.88Å
189	Q	39.5	Very low	35.5	Very low	131 Å²	131	116 Å²	116	61%	0.612	65%	0.646	S	S	*	*	H	α-helix	trans	-73.7	-31.3	-175.7	-66.7	-179	-5	0	0	113.8	F192 E193	Q189-F192 PolarHBondContact O-N 3.19Å; Q189-E193 PolarHBondContact O-N 2.83Å
190	Q	38.3	Very low	35.8	Very low	140 Å²	140	120.2 Å²	120.2	65%	0.654	65%	0.653	S	S	*	*	H	α-helix	trans	-78.6	-17.8	176	-75.9	-178.4	-7	0	0	114
191	L	38.2	Very low	35.9	Very low	110 Å²	110	118.4 Å²	118.4	58%	0.576	65%	0.646	S	S	*	*	H	α-helix	trans	-80.1	-32.5	169.4	-94.7	158.2	0	0	0	111.5	S188 K194 V195	S188-L191 PolarHBondContact O-N 2.87Å; L191-K194 PolarHBondContact O-N 3.13Å; L191-V195 VanDerWaalsContact O-CG2 3.29Å; L191-V195 WeakPolarHBondContact O-CG2 3.46Å; L191-V195 PolarHBondContact O-N 3.45Å; L191-V195 VanDerWaalsContact O-N 3.11Å
192	F	37.1	Very low	36.1	Very low	119 Å²	119	120 Å²	120	52%	0.522	64%	0.641	S	S	.	*	H	α-helix	trans	-67	-36.3	175.7	-99.5	-87	0	0	0	113.6	H75 S188 Q189 V195 K196	H75-F192 AromaticContact CE1-CE2 3.38Å; H75-F192 WeakPolarHBondContact CE1-CE2 3.12Å; H75-F192 AromaticContact CE1-CZ 3.85Å; H75-F192 AromaticContact NE2-CE2 3.51Å; H75-F192 AromaticContact NE2-CZ 3.85Å; S188-F192 PolarHBondContact O-N 2.88Å; Q189-F192 PolarHBondContact O-N 3.19Å; F192-V195 PolarHBondContact O-N 2.99Å; F192-K196 WeakPolarHBondContact O-CB 3.4Å; F192-K196 PolarHBondContact O-N 2.92Å; F192-K196 VanDerWaalsContact O-N 3.11Å
193	E	37.9	Very low	36.2	Very low	140 Å²	140	120 Å²	120	65%	0.654	64%	0.636	S	S	*	*	H	α-helix	trans	-71.8	-32	174.9	-81.6	-145.8	140.3	0	0	113.8	Q189 K196	Q189-E193 PolarHBondContact O-N 2.83Å; E193-K196 WeakPolarHBondContact O-CB 3.08Å; E193-K196 PolarHBondContact O-N 3.17Å
194	K	34.8	Very low	36.1	Very low	168 Å²	168	117.6 Å²	117.6	73%	0.73	63%	0.63	S	S	*	*	H	α-helix	trans	-77.9	-20.8	176.1	-77.1	179.2	177.1	173	0	113.3	L191 K198	L191-K194 PolarHBondContact O-N 3.13Å; K194-K198 WeakPolarHBondContact O-CB 3.5Å
195	V	39.2	Very low	36.6	Very low	90 Å²	90	119 Å²	119	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-80.7	-29.1	169.8	174.4	0	0	0	0	111.2	L191 F192 V197 K198	L191-V195 VanDerWaalsContact O-CG2 3.29Å; L191-V195 WeakPolarHBondContact O-CG2 3.46Å; L191-V195 PolarHBondContact O-N 3.45Å; L191-V195 VanDerWaalsContact O-N 3.11Å; F192-V195 PolarHBondContact O-N 2.99Å; V195-V197 PolarHBondContact O-N 2.87Å; V195-V197 VanDerWaalsContact O-N 3.11Å; V195-K198 PolarHBondContact O-N 2.97Å
196	K	36.9	Very low	37.4	Very low	155 Å²	155	119.1 Å²	119.1	67%	0.674	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-16.4	177.5	-138.7	170.8	-176.6	177.9	0	115.1	F192 E193	F192-K196 WeakPolarHBondContact O-CB 3.4Å; F192-K196 PolarHBondContact O-N 2.92Å; F192-K196 VanDerWaalsContact O-N 3.11Å; E193-K196 WeakPolarHBondContact O-CB 3.08Å; E193-K196 PolarHBondContact O-N 3.17Å
197	V	35.5	Very low	38.7	Very low	113 Å²	113	117.7 Å²	117.7	69%	0.685	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	-7.7	-179.1	-178.3	0	0	0	0	112.5	V195 S201	V195-V197 PolarHBondContact O-N 2.87Å; V195-V197 VanDerWaalsContact O-N 3.11Å; V197-S201 WeakPolarHBondContact O-CB 3.32Å
198	K	31.5	Very low	40.9	Very low	123 Å²	123	112.5 Å²	112.5	54%	0.535	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106	-9	-173.3	-149.4	159	-175.6	170.5	0	115.5	K194 V195	K194-K198 WeakPolarHBondContact O-CB 3.5Å; V195-K198 PolarHBondContact O-N 2.97Å
199	A	36.9	Very low	43.3	Very low	78 Å²	78	112.7 Å²	112.7	65%	0.645	58%	0.581	S	S	*	*	S	Bend	trans	-80.5	-18.6	172.9	0	0	0	0	0	114
200	N	37.7	Very low	45.7	Very low	155 Å²	155	106.5 Å²	106.5	83%	0.829	55%	0.552	S	S	*	*	S	Bend	trans	-109.5	8.3	176.3	-82.1	-10.7	0	0	0	113.9
201	S	36.9	Very low	48.2	Very low	88 Å²	88	99.9 Å²	99.9	62%	0.615	52%	0.521	S	S	*	.	S	Bend	trans	-115.8	12.9	-171.8	-173	0	0	0	0	114.2	V197	V197-S201 WeakPolarHBondContact O-CB 3.32Å
202	R	33.3	Very low	50.6	Low	188 Å²	188	99.8 Å²	99.8	71%	0.709	52%	0.516	S	S	*	.	S	Bend	trans	-140.4	60	176.7	-71.6	-176.3	171.9	177.6	-5.8	111.2
203	Q	35.2	Very low	53.1	Low	138 Å²	138	94.9 Å²	94.9	65%	0.645	50%	0.495	S	S	*	.			trans	-154.5	95.7	165.1	-106.6	153.4	7.6	0	0	107.7
204	G	32	Very low	55.5	Low	64 Å²	64	88.9 Å²	88.9	66%	0.66	47%	0.468	S	S	*	.			trans	-60.3	143.7	141.7	0	0	0	0	0	107.2
205	D	42.7	Very low	58	Low	124 Å²	124	84.6 Å²	84.6	66%	0.663	45%	0.448	S	S	*	.	S	Bend	trans	85.2	102.1	170.3	-49	-30.1	0	0	0	117.6	H207	D205-H207 PolarHBondContact O-CD2 2.79Å; D205-H207 PolarHBondContact O-N 2.95Å
206	N	55.3	Low	60.3	Low	66 Å²	66	82.4 Å²	82.4	35%	0.353	43%	0.432	S	S	.	.			trans	59.6	1.6	136.6	-55.1	-30.5	0	0	0	124.2	P102	P102-N206 WeakPolarHBondContact CB-OD1 3.28Å; P102-N206 WeakPolarHBondContact CD-ND2 3.43Å
207	H	62.9	Low	62.5	Low	86 Å²	86	76 Å²	76	40%	0.398	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.1	-178.2	-63.3	-81.9	0	0	0	112.7	E97 D205	E97-H207 VanDerWaalsContact CD-ND1 3.3Å; E97-H207 WeakPolarHBondContact OE1-CB 3.2Å; E97-H207 IonicContact OE1-CE1 3.92Å; E97-H207 IonicContact OE1-CG 3.23Å; E97-H207 VanDerWaalsContact OE1-CG 3.23Å; E97-H207 IonicContact OE1-ND1 3.52Å; E97-H207 PolarHBondContact OE1-ND1 2.8Å; D205-H207 PolarHBondContact O-CD2 2.79Å; D205-H207 PolarHBondContact O-N 2.95Å
208	S	81.1	Confident	64.7	Low	35 Å²	35	72.6 Å²	72.6	25%	0.245	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.3	174.7	-68.4	0	0	0	0	110.8	L98	L98-S208 WeakPolarHBondContact CA-O 3.45Å; L98-S208 WeakPolarHBondContact CB-O 3.22Å; L98-S208 PolarHBondContact N-O 2.88Å; L98-S208 PolarHBondContact O-N 2.99Å; L98-S208 VanDerWaalsContact O-N 3.1Å
209	F	86.3	Confident	67	Low	56 Å²	56	69 Å²	69	25%	0.246	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135	-177.6	-63	-88.3	0	0	0	112.9	I81 V84 V96 E97	I81-F209 HydrophobicContact CG2-CB 3.52Å; I81-F209 HydrophobicContact CG2-CD1 4.44Å; I81-F209 HydrophobicContact CG2-CD2 4.4Å; I81-F209 HydrophobicContact CG2-CG 3.89Å; V84-F209 WeakPolarHBondContact CG1-O 3.43Å; V84-F209 WeakPolarHBondContact CG2-O 3.08Å; V84-F209 PolarHBondContact N-O 2.79Å; V96-F209 WeakPolarHBondContact O-CA 3.18Å; E97-F209 HydrophobicContact CB-CD1 3.97Å; E97-F209 HydrophobicContact CB-CE1 3.69Å; E97-F209 HydrophobicContact CG-CD1 4.31Å; E97-F209 HydrophobicContact CG-CE1 3.79Å; E97-F209 HydrophobicContact CG-CZ 4.12Å
210	V	89.7	Confident	69	Low	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.1	173.2	-69.5	0	0	0	0	111	V84 E85 C95 V96 L98 C214 Y215	V84-V210 HydrophobicContact CG2-CG1 3.61Å; E85-V210 HydrophobicContact CB-CG1 4.49Å; E85-V210 HydrophobicContact CG-CG1 3.82Å; C95-V210 CarbonylContact C-O 3.58Å; C95-V210 VanDerWaalsContact CA-O 3.24Å; C95-V210 WeakPolarHBondContact CA-O 3.18Å; V96-V210 HydrophobicContact CB-CG2 4.27Å; V96-V210 PolarHBondContact N-O 3.42Å; V96-V210 PolarHBondContact O-N 2.77Å; L98-V210 HydrophobicContact CD1-CB 4.22Å; L98-V210 HydrophobicContact CD1-CG1 3.47Å; L98-V210 VanDerWaalsContact CD1-CG1 3.47Å; L98-V210 HydrophobicContact CD1-CG2 3.71Å; L98-V210 HydrophobicContact CD2-CG2 4.12Å; L98-V210 HydrophobicContact CG-CG1 4.34Å; L98-V210 HydrophobicContact CG-CG2 3.77Å; V210-C214 HydrophobicContact CB-CB 4.2Å; V210-Y215 HydrophobicContact CG2-CD2 4.24Å
211	C	90.5	Very high	70.7	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	154.4	171.3	71.6	0	0	0	0	110.4	L68 C83 V90 I213 C214 Y215	L68-C211 HydrophobicContact CD1-CB 4.16Å; C83-C211 HydrophobicContact CB-CB 3.94Å; C83-C211 PolarHBondContact SG-N 3.37Å; V90-C211 HydrophobicContact CG1-CB 3.65Å; V90-C211 HydrophobicContact CG2-CB 4.25Å; C211-I213 PolarHBondContact O-N 3.33Å; C211-I213 VanDerWaalsContact O-N 3.12Å; C211-C214 PolarHBondContact O-N 2.83Å; C211-C214 VanDerWaalsContact O-N 3.09Å; C211-C214 PolarHBondContact SG-N 3Å; C211-C214 VanDerWaalsContact SG-N 3.39Å; C211-Y215 PolarHBondContact O-N 2.58Å
212	K	89.6	Confident	72.4	Confident	108 Å²	108	60.2 Å²	60.2	47%	0.47	30%	0.296	S	S	.	.	H	α-helix	trans	-54.3	-31.8	178.6	-78.5	176.1	170.1	172.3	0	114	L68 A93 C94 V96 E216	L68-K212 HydrophobicContact CD1-CB 3.79Å; A93-K212 WeakPolarHBondContact O-CE 3.49Å; A93-K212 PolarHBondContact O-NZ 3.44Å; C94-K212 PolarHBondContact O-N 2.71Å; V96-K212 HydrophobicContact CG2-CG 4.01Å; K212-E216 WeakPolarHBondContact O-CB 3.47Å; K212-E216 PolarHBondContact O-N 3.21Å
213	I	89	Confident	74.4	Confident	16 Å²	16	58 Å²	58	8%	0.082	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-46.9	176.6	-63.1	-178.1	0	0	0	111.5	L51 L54 K55 A58 L68 C211 Y215 E216 A217	L51-I213 HydrophobicContact CD1-CG2 4.34Å; L54-I213 HydrophobicContact CB-CD1 4.36Å; L54-I213 HydrophobicContact CB-CG1 4.29Å; L54-I213 WeakPolarHBondContact O-CD1 3.28Å; K55-I213 HydrophobicContact CG-CG2 3.8Å; A58-I213 HydrophobicContact CB-CD1 3.37Å; L68-I213 HydrophobicContact CD1-CG1 4.43Å; L68-I213 HydrophobicContact CD2-CD1 3.3Å; L68-I213 HydrophobicContact CD2-CG1 3.63Å; C211-I213 PolarHBondContact O-N 3.33Å; C211-I213 VanDerWaalsContact O-N 3.12Å; I213-Y215 VanDerWaalsContact C-N 3.29Å; I213-Y215 PolarHBondContact O-N 3.46Å; I213-E216 PolarHBondContact O-N 3.35Å; I213-A217 WeakPolarHBondContact O-CB 3.3Å; I213-A217 PolarHBondContact O-N 2.86Å
214	C	88.1	Confident	76.3	Confident	14 Å²	14	53 Å²	53	10%	0.095	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-39.7	175.5	-79	0	0	0	0	111.3	E85 C86 V210 C211 A217 R218	E85-C214 HydrophobicContact CB-CB 4.06Å; E85-C214 VanDerWaalsContact OE2-CB 3.28Å; E85-C214 WeakPolarHBondContact OE2-CB 3.2Å; C86-C214 VanDerWaalsContact SG-SG 3.61Å; V210-C214 HydrophobicContact CB-CB 4.2Å; C211-C214 PolarHBondContact O-N 2.83Å; C211-C214 VanDerWaalsContact O-N 3.09Å; C211-C214 PolarHBondContact SG-N 3Å; C211-C214 VanDerWaalsContact SG-N 3.39Å; C214-A217 WeakPolarHBondContact O-CB 3.37Å; C214-A217 PolarHBondContact O-N 2.99Å; C214-R218 PolarHBondContact O-N 3.23Å
215	Y	88.7	Confident	78.1	Confident	78 Å²	78	51.5 Å²	51.5	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-51	171.5	-175.8	-94.1	0	0	0	111.9	V96 L98 V210 C211 I213 A217 R218 E219	V96-Y215 HydrophobicContact CB-CD2 3.89Å; V96-Y215 HydrophobicContact CB-CE2 4.47Å; V96-Y215 HydrophobicContact CB-CG 4.11Å; V96-Y215 HydrophobicContact CG1-CD2 3.6Å; V96-Y215 HydrophobicContact CG1-CE2 3.69Å; V96-Y215 HydrophobicContact CG1-CG 4.17Å; V96-Y215 HydrophobicContact CG2-CD1 4.29Å; V96-Y215 HydrophobicContact CG2-CD2 4.18Å; V96-Y215 HydrophobicContact CG2-CG 3.9Å; L98-Y215 HydrophobicContact CD2-CD2 4.08Å; L98-Y215 HydrophobicContact CD2-CE2 4.22Å; V210-Y215 HydrophobicContact CG2-CD2 4.24Å; C211-Y215 PolarHBondContact O-N 2.58Å; I213-Y215 VanDerWaalsContact C-N 3.29Å; I213-Y215 PolarHBondContact O-N 3.46Å; Y215-A217 VanDerWaalsContact C-N 3.28Å; Y215-A217 PolarHBondContact O-N 2.86Å; Y215-R218 WeakPolarHBondContact O-CB 3.45Å; Y215-R218 PolarHBondContact O-N 3.01Å; Y215-R218 VanDerWaalsContact O-N 3.15Å; Y215-E219 HydrophobicContact CD1-CG 4.11Å; Y215-E219 HydrophobicContact CE1-CG 3.67Å; Y215-E219 WeakPolarHBondContact O-CG 3.2Å; Y215-E219 PolarHBondContact O-N 3.4Å
216	E	85.6	Confident	79.2	Confident	43 Å²	43	46.1 Å²	46.1	20%	0.201	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-38.3	177.6	-168.6	78.4	168.6	0	0	111.4	K50 L51 L54 K212 I213 R218 E219 I220	K50-E216 IonicContact NZ-OE1 2.78Å; K50-E216 PolarHBondContact NZ-OE1 3.34Å; L51-E216 HydrophobicContact CD1-CB 4.11Å; L51-E216 HydrophobicContact CD1-CG 4.17Å; L54-E216 HydrophobicContact CD1-CG 4.13Å; K212-E216 WeakPolarHBondContact O-CB 3.47Å; K212-E216 PolarHBondContact O-N 3.21Å; I213-E216 PolarHBondContact O-N 3.35Å; E216-R218 PolarHBondContact O-N 3.38Å; E216-E219 PolarHBondContact O-N 3.45Å; E216-I220 HydrophobicContact CG-CD1 4.27Å; E216-I220 WeakPolarHBondContact O-CG1 3.38Å; E216-I220 PolarHBondContact O-N 2.87Å
217	A	84.5	Confident	79.7	Confident	21 Å²	21	47 Å²	47	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-43.7	175.6	0	0	0	0	0	111.9	L51 I213 C214 Y215 I220 W221	L51-A217 HydrophobicContact CD1-CB 3.92Å; L51-A217 HydrophobicContact CD2-CB 3.83Å; I213-A217 WeakPolarHBondContact O-CB 3.3Å; I213-A217 PolarHBondContact O-N 2.86Å; C214-A217 WeakPolarHBondContact O-CB 3.37Å; C214-A217 PolarHBondContact O-N 2.99Å; Y215-A217 VanDerWaalsContact C-N 3.28Å; Y215-A217 PolarHBondContact O-N 2.86Å; A217-I220 PolarHBondContact O-N 3.47Å; A217-W221 VanDerWaalsContact O-CD1 3.24Å; A217-W221 PolarHBondContact O-N 3.27Å
218	R	82.2	Confident	79.1	Confident	42 Å²	42	45.7 Å²	45.7	16%	0.158	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-44.2	173.2	-77.6	-174.3	167	-156.7	3	112.1	E85 L98 C214 Y215 E216 I220 W221 K222	E85-R218 IonicContact OE1-CZ 3.09Å; E85-R218 IonicContact OE1-NE 3.02Å; E85-R218 PolarHBondContact OE1-NE 3.28Å; E85-R218 IonicContact OE1-NH2 2.77Å; E85-R218 PolarHBondContact OE1-NH2 2.79Å; L98-R218 VanDerWaalsContact CD1-NH1 3.33Å; C214-R218 PolarHBondContact O-N 3.23Å; Y215-R218 WeakPolarHBondContact O-CB 3.45Å; Y215-R218 PolarHBondContact O-N 3.01Å; Y215-R218 VanDerWaalsContact O-N 3.15Å; E216-R218 PolarHBondContact O-N 3.38Å; R218-I220 VanDerWaalsContact C-N 3.29Å; R218-I220 PolarHBondContact O-N 3.15Å; R218-W221 WeakPolarHBondContact O-CB 3.42Å; R218-W221 PolarHBondContact O-N 2.97Å; R218-K222 WeakPolarHBondContact O-CG 3.36Å; R218-K222 PolarHBondContact O-N 3.35Å
219	E	78.6	Confident	77.5	Confident	47 Å²	47	51.8 Å²	51.8	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-35.9	179.5	-66.6	-55.9	107.9	0	0	111.3	Y215 E216 K222 R223	Y215-E219 HydrophobicContact CD1-CG 4.11Å; Y215-E219 HydrophobicContact CE1-CG 3.67Å; Y215-E219 WeakPolarHBondContact O-CG 3.2Å; Y215-E219 PolarHBondContact O-N 3.4Å; E216-E219 PolarHBondContact O-N 3.45Å; E219-K222 PolarHBondContact O-N 2.98Å; E219-K222 WeakPolarHBondContact OE1-CD 3.35Å; E219-K222 WeakPolarHBondContact OE1-CE 3.34Å; E219-K222 IonicContact OE1-NZ 2.7Å; E219-K222 PolarHBondContact OE1-NZ 3.27Å; E219-R223 WeakPolarHBondContact O-CB 3.26Å; E219-R223 WeakPolarHBondContact O-CG 3.05Å; E219-R223 PolarHBondContact O-N 3.42Å
220	I	79.6	Confident	75.9	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-64.5	-45.8	172	-69.5	169.1	0	0	0	110.8	M47 L48 L51 E216 A217 R218 K222 R223 S224	M47-I220 HydrophobicContact CB-CD1 4.41Å; M47-I220 HydrophobicContact CB-CG1 4.31Å; M47-I220 HydrophobicContact CB-CG2 4.25Å; M47-I220 WeakPolarHBondContact O-CD1 3.13Å; L48-I220 HydrophobicContact CD2-CG2 4.08Å; L51-I220 HydrophobicContact CB-CD1 3.65Å; L51-I220 HydrophobicContact CD1-CD1 3.97Å; L51-I220 HydrophobicContact CD2-CD1 4.25Å; L51-I220 HydrophobicContact CG-CD1 4.15Å; E216-I220 HydrophobicContact CG-CD1 4.27Å; E216-I220 WeakPolarHBondContact O-CG1 3.38Å; E216-I220 PolarHBondContact O-N 2.87Å; A217-I220 PolarHBondContact O-N 3.47Å; R218-I220 VanDerWaalsContact C-N 3.29Å; R218-I220 PolarHBondContact O-N 3.15Å; I220-K222 PolarHBondContact O-N 3.49Å; I220-R223 PolarHBondContact O-N 3.39Å; I220-R223 VanDerWaalsContact O-N 3.13Å; I220-S224 WeakPolarHBondContact O-CB 3.44Å; I220-S224 PolarHBondContact O-N 2.78Å; I220-S224 PolarHBondContact O-OG 3.5Å
221	W	73.8	Confident	73.9	Confident	38 Å²	38	58.1 Å²	58.1	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-37.9	175.5	-91.5	64.1	0	0	0	112.8	A217 R218 G225 A226 W227 K230 S231 L232 P233	A217-W221 VanDerWaalsContact O-CD1 3.24Å; A217-W221 PolarHBondContact O-N 3.27Å; R218-W221 WeakPolarHBondContact O-CB 3.42Å; R218-W221 PolarHBondContact O-N 2.97Å; W221-G225 PolarHBondContact O-N 3.09Å; W221-A226 HydrophobicContact CD2-CB 4.31Å; W221-A226 HydrophobicContact CE3-CB 4.24Å; W221-A226 PolarHBondContact O-N 3.11Å; W221-W227 HydrophobicContact CE3-CB 4.04Å; W221-W227 VanDerWaalsContact O-CD1 3.3Å; W221-W227 PolarHBondContact O-N 2.96Å; W221-K230 HydrophobicContact CH2-CB 3.6Å; W221-K230 HydrophobicContact CH2-CD 4.27Å; W221-K230 HydrophobicContact CZ3-CB 3.66Å; W221-S231 WeakPolarHBondContact CZ3-O 3.16Å; W221-L232 HydrophobicContact CB-CD2 3.97Å; W221-P233 HydrophobicContact CD2-CG 4.41Å; W221-P233 HydrophobicContact CH2-CG 4.19Å; W221-P233 HydrophobicContact CZ2-CG 4.03Å; W221-P233 HydrophobicContact CZ3-CG 4.46Å
222	K	70.9	Confident	72	Confident	94 Å²	94	60.3 Å²	60.3	41%	0.409	28%	0.284	S	S	.	.	H	α-helix	trans	-69.1	-49	173.6	-68	174.3	-172.2	169.3	0	111.8	R218 E219 I220 S224 G225 L232	R218-K222 WeakPolarHBondContact O-CG 3.36Å; R218-K222 PolarHBondContact O-N 3.35Å; E219-K222 PolarHBondContact O-N 2.98Å; E219-K222 WeakPolarHBondContact OE1-CD 3.35Å; E219-K222 WeakPolarHBondContact OE1-CE 3.34Å; E219-K222 IonicContact OE1-NZ 2.7Å; E219-K222 PolarHBondContact OE1-NZ 3.27Å; I220-K222 PolarHBondContact O-N 3.49Å; K222-S224 VanDerWaalsContact C-N 3.32Å; K222-S224 PolarHBondContact O-N 3.34Å; K222-G225 PolarHBondContact O-N 2.91Å; K222-L232 HydrophobicContact CG-CD2 4.4Å
223	R	76.3	Confident	70.2	Confident	142 Å²	142	57.5 Å²	57.5	54%	0.536	28%	0.277	S	S	.	.	H	α-helix	trans	-70.8	-21.7	-176	-70.2	173.7	74.4	-176.8	6.1	114.2	R43 M47 E219 I220	R43-R223 PolarHBondContact NH1-O 2.95Å; R43-R223 PolarHBondContact NH2-O 3.46Å; M47-R223 HydrophobicContact SD-CB 4.24Å; E219-R223 WeakPolarHBondContact O-CB 3.26Å; E219-R223 WeakPolarHBondContact O-CG 3.05Å; E219-R223 PolarHBondContact O-N 3.42Å; I220-R223 PolarHBondContact O-N 3.39Å; I220-R223 VanDerWaalsContact O-N 3.13Å
224	S	74.9	Confident	68.3	Low	33 Å²	33	66.7 Å²	66.7	23%	0.231	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-4.8	175.4	67.5	0	0	0	0	113.5	I220 K222 A226	I220-S224 WeakPolarHBondContact O-CB 3.44Å; I220-S224 PolarHBondContact O-N 2.78Å; I220-S224 PolarHBondContact O-OG 3.5Å; K222-S224 VanDerWaalsContact C-N 3.32Å; K222-S224 PolarHBondContact O-N 3.34Å; S224-A226 PolarHBondContact O-N 3.29Å; S224-A226 WeakPolarHBondContact OG-CB 3.37Å; S224-A226 PolarHBondContact OG-N 3.2Å
225	G	70.5	Confident	66	Low	32 Å²	32	69 Å²	69	33%	0.33	33%	0.327	S	S	.	.	S	Bend	trans	72.8	-1.7	-173.1	0	0	0	0	0	114.8	W221 K222 W227 F228	W221-G225 PolarHBondContact O-N 3.09Å; K222-G225 PolarHBondContact O-N 2.91Å; G225-W227 PolarHBondContact O-N 3.16Å; G225-W227 VanDerWaalsContact O-N 3.12Å; G225-F228 VanDerWaalsContact O-CB 3.24Å; G225-F228 WeakPolarHBondContact O-CB 3.28Å; G225-F228 PolarHBondContact O-N 3.29Å
226	A	65.1	Low	63.4	Low	12 Å²	12	70.1 Å²	70.1	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-28.4	-175	0	0	0	0	0	114.2	W221 S224 F228 Y229 K230 L263	W221-A226 HydrophobicContact CD2-CB 4.31Å; W221-A226 HydrophobicContact CE3-CB 4.24Å; W221-A226 PolarHBondContact O-N 3.11Å; S224-A226 PolarHBondContact O-N 3.29Å; S224-A226 WeakPolarHBondContact OG-CB 3.37Å; S224-A226 PolarHBondContact OG-N 3.2Å; A226-F228 PolarHBondContact O-N 2.89Å; A226-Y229 PolarHBondContact O-N 3.36Å; A226-K230 PolarHBondContact O-N 3.24Å; A226-L263 HydrophobicContact CB-CD1 4.39Å
227	W	65.1	Low	60.6	Low	84 Å²	84	79.3 Å²	79.3	32%	0.318	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-22.3	177.1	75.9	-79	0	0	0	114	W221 G225 S231 L232 E723	W221-W227 HydrophobicContact CE3-CB 4.04Å; W221-W227 VanDerWaalsContact O-CD1 3.3Å; W221-W227 PolarHBondContact O-N 2.96Å; G225-W227 PolarHBondContact O-N 3.16Å; G225-W227 VanDerWaalsContact O-N 3.12Å; W227-S231 WeakPolarHBondContact O-CA 3.25Å; W227-S231 PolarHBondContact O-N 3.45Å; W227-L232 HydrophobicContact CB-CD2 3.66Å; W227-L232 HydrophobicContact CB-CG 3.83Å; W227-L232 HydrophobicContact CG-CD2 4.46Å; W227-E723 WeakPolarHBondContact CZ2-OE1 3.19Å
228	F	50.3	Low	57.9	Low	59 Å²	59	87.2 Å²	87.2	26%	0.259	42%	0.415	S	S	.	.	H	α-helix	trans	-65.3	-42.9	176.6	-176.6	-102.3	0	0	0	112.1	G225 A226 E726 A730	G225-F228 VanDerWaalsContact O-CB 3.24Å; G225-F228 WeakPolarHBondContact O-CB 3.28Å; G225-F228 PolarHBondContact O-N 3.29Å; A226-F228 PolarHBondContact O-N 2.89Å; F228-E726 HydrophobicContact CZ-CB 4.36Å; F228-A730 HydrophobicContact CE2-CB 4.44Å; F228-A730 HydrophobicContact CZ-CB 3.73Å
229	Y	47.7	Very low	55.3	Low	163 Å²	163	91.4 Å²	91.4	64%	0.639	45%	0.445	S	S	*	.	H	α-helix	trans	-84.7	-34.2	-174.9	-64.2	-81.3	0	0	0	113.6	A226	A226-Y229 PolarHBondContact O-N 3.36Å
230	K	53.9	Low	53	Low	110 Å²	110	94 Å²	94	48%	0.478	47%	0.468	S	S	.	.	H	α-helix	trans	-116.2	2	-171.7	-69.9	-173.3	-179.8	-176.4	0	114.7	W221 A226 D259	W221-K230 HydrophobicContact CH2-CB 3.6Å; W221-K230 HydrophobicContact CH2-CD 4.27Å; W221-K230 HydrophobicContact CZ3-CB 3.66Å; A226-K230 PolarHBondContact O-N 3.24Å; K230-D259 PolarHBondContact NZ-O 2.92Å
231	S	47	Very low	50.3	Low	78 Å²	78	100 Å²	100	55%	0.545	51%	0.51	S	S	.	.			trans	58.6	149.6	-167.4	71.2	0	0	0	0	112.9	W221 W227	W221-S231 WeakPolarHBondContact CZ3-O 3.16Å; W227-S231 WeakPolarHBondContact O-CA 3.25Å; W227-S231 PolarHBondContact O-N 3.45Å
232	L	50.2	Low	48.3	Very low	49 Å²	49	104.2 Å²	104.2	26%	0.257	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-58.8	131.7	173.6	-75.5	172.2	0	0	0	109.3	W221 K222 W227 R234	W221-L232 HydrophobicContact CB-CD2 3.97Å; K222-L232 HydrophobicContact CG-CD2 4.4Å; W227-L232 HydrophobicContact CB-CD2 3.66Å; W227-L232 HydrophobicContact CB-CG 3.83Å; W227-L232 HydrophobicContact CG-CD2 4.46Å; L232-R234 PolarHBondContact O-N 2.98Å
233	P	52.2	Low	46.4	Very low	49 Å²	49	105 Å²	105	32%	0.318	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-52.1	116.3	176.6	-25.5	32.9	0	0	0	110.4	W221	W221-P233 HydrophobicContact CD2-CG 4.41Å; W221-P233 HydrophobicContact CH2-CG 4.19Å; W221-P233 HydrophobicContact CZ2-CG 4.03Å; W221-P233 HydrophobicContact CZ3-CG 4.46Å
234	R	50.1	Low	44.3	Very low	208 Å²	208	103.9 Å²	103.9	79%	0.785	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-86.4	138.2	173.8	-68.5	-174.5	177.4	-167.4	-1	108.5	L232 S236	L232-R234 PolarHBondContact O-N 2.98Å; R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 2.99Å
235	S	39.4	Very low	42.2	Very low	64 Å²	64	108 Å²	108	45%	0.448	60%	0.599	S	S	.	*			trans	-63	91.5	170.3	174.5	0	0	0	0	109.6	V84	V84-S235 WeakPolarHBondContact O-CB 3.32Å; V84-S235 PolarHBondContact O-OG 3.01Å
236	S	32.8	Very low	40.4	Very low	101 Å²	101	111.9 Å²	111.9	71%	0.706	62%	0.621	S	S	*	*			trans	-87	113.1	164.7	52.3	0	0	0	0	107.9	R234 M238	R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 2.99Å; S236-M238 PolarHBondContact O-N 2.89Å; S236-M238 VanDerWaalsContact O-N 3.11Å
237	R	28.5	Very low	38.8	Very low	236 Å²	236	116.2 Å²	116.2	89%	0.891	65%	0.65	S	S	*	*			trans	-40	112.9	174.6	-70.5	175.5	179	-177.4	-2.2	111.3	T239	R237-T239 PolarHBondContact O-N 3.46Å
238	M	26.6	Very low	37.2	Very low	186 Å²	186	118.7 Å²	118.7	92%	0.916	68%	0.675	S	S	*	*			trans	-77.5	107	162.1	-63.4	-167.8	92.7	0	0	107.8	S236 S240	S236-M238 PolarHBondContact O-N 2.89Å; S236-M238 VanDerWaalsContact O-N 3.11Å; M238-S240 PolarHBondContact O-N 3.15Å
239	T	28.5	Very low	36.2	Very low	131 Å²	131	121.8 Å²	121.8	80%	0.804	70%	0.701	S	S	*	*			trans	-59	116	164	21.2	0	0	0	0	109.9	R237	R237-T239 PolarHBondContact O-N 3.46Å
240	S	29.3	Very low	35.2	Very low	100 Å²	100	118.2 Å²	118.2	70%	0.699	71%	0.705	S	S	*	*			trans	38.4	110.2	146.7	56.8	0	0	0	0	118.8	M238 P242	M238-S240 PolarHBondContact O-N 3.15Å; S240-P242 WeakPolarHBondContact O-CD 3.45Å
241	C	23.7	Very low	33.9	Very low	132 Å²	132	122.6 Å²	122.6	89%	0.892	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-64	132.1	157.2	-55.2	0	0	0	0	110.7
242	P	30.5	Very low	33.1	Very low	126 Å²	126	125 Å²	125	82%	0.818	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-91.1	137.4	154.9	5.4	14.4	0	0	0	110	S240	S240-P242 WeakPolarHBondContact O-CD 3.45Å
243	S	31.6	Very low	32.1	Very low	110 Å²	110	129.2 Å²	129.2	77%	0.769	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.6	140.2	-179	26.8	0	0	0	0	114.9
244	S	31.9	Very low	30.9	Very low	118 Å²	118	133 Å²	133	83%	0.825	78%	0.784	S	S	*	*			trans	82.6	148	147.1	-57.9	0	0	0	0	120.8
245	P	31.9	Very low	29.8	Very low	120 Å²	120	131.4 Å²	131.4	78%	0.779	79%	0.786	S	S	*	*			trans	-119.7	148.4	-145.3	37.8	-22.3	0	0	0	114.4
246	S	31.2	Very low	29.4	Very low	113 Å²	113	135.6 Å²	135.6	79%	0.79	80%	0.802	S	S	*	*			trans	-166.1	135.6	152.9	52.7	0	0	0	0	112.2
247	S	33.3	Very low	29.3	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	80%	0.803	S	S	*	*	S	Bend	trans	68.4	89.9	161.2	60.8	0	0	0	0	120.5
248	T	31.6	Very low	29.6	Very low	137 Å²	137	134.1 Å²	134.1	84%	0.84	80%	0.796	S	S	*	*				64.3	146	124.8	42.8	0	0	0	0	122.1
249	P	27.6	Very low	30.2	Very low	123 Å²	123	129.6 Å²	129.6	80%	0.799	78%	0.776	S	S	*	*				-112.3	133	-127.3	36.7	-26.2	0	0	0	113.3
250	A	28	Very low	30.9	Very low	88 Å²	88	126.1 Å²	126.1	73%	0.727	75%	0.752	S	S	*	*			trans	-110	117.1	155.3	0	0	0	0	0	107.4	T252	A250-T252 PolarHBondContact O-N 2.62Å; A250-T252 VanDerWaalsContact O-N 3.08Å; A250-T252 PolarHBondContact O-OG1 3.34Å
251	K	27	Very low	31.7	Very low	203 Å²	203	125.8 Å²	125.8	88%	0.883	75%	0.746	S	S	*	*			trans	-52.5	111.9	177.6	-69.9	173.5	175.6	176.8	0	109.5
252	T	28.6	Very low	32.6	Very low	127 Å²	127	123.2 Å²	123.2	78%	0.779	72%	0.723	S	S	*	*			trans	-138.9	89.1	164	-30	0	0	0	0	106.2	A250 C254	A250-T252 PolarHBondContact O-N 2.62Å; A250-T252 VanDerWaalsContact O-N 3.08Å; A250-T252 PolarHBondContact O-OG1 3.34Å; T252-C254 PolarHBondContact O-N 2.73Å
253	D	28.8	Very low	33.1	Very low	138 Å²	138	121.8 Å²	121.8	74%	0.738	71%	0.708	S	S	*	*			trans	-60.8	126.6	-179.3	-79.1	-44.2	0	0	0	110.4	Q255	D253-Q255 PolarHBondContact O-N 2.88Å
254	C	27	Very low	33.4	Very low	128 Å²	128	119.9 Å²	119.9	87%	0.865	69%	0.691	S	S	*	*			trans	-65.8	89.8	170.2	-90.1	0	0	0	0	110.3	T252 I256	T252-C254 PolarHBondContact O-N 2.73Å; C254-I256 PolarHBondContact O-N 2.9Å
255	Q	27.1	Very low	33.5	Very low	176 Å²	176	121.3 Å²	121.3	82%	0.822	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	72.4	176.6	-68.6	177.3	-17.3	0	0	112.5	D253	D253-Q255 PolarHBondContact O-N 2.88Å
256	I	31.1	Very low	33.3	Very low	152 Å²	152	120.6 Å²	120.6	78%	0.779	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	-7.4	168.4	-60.4	-176.2	0	0	0	114.4	C254	C254-I256 PolarHBondContact O-N 2.9Å
257	F	31.6	Very low	33.4	Very low	164 Å²	164	122.6 Å²	122.6	72%	0.719	68%	0.679	S	S	*	*	S	Bend	trans	-129.7	9.9	-175	-108.8	-88.6	0	0	0	118.2
258	N	34.8	Very low	33.1	Very low	142 Å²	142	125.3 Å²	125.3	76%	0.759	68%	0.679	S	S	*	*			trans	-116.6	-2.7	-169.2	-74.9	-11.1	0	0	0	118.8
259	D	38.4	Very low	33.2	Very low	90 Å²	90	126 Å²	126	48%	0.481	68%	0.677	S	S	.	*			trans	-111.4	69.6	-179.8	-84.8	-44.4	0	0	0	114.8	K230 T261 D262	K230-D259 PolarHBondContact NZ-O 2.92Å; D259-T261 VanDerWaalsContact C-N 3.32Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å; D259-D262 HydrophobicContact CB-CB 4.37Å
260	I	44.9	Very low	33.2	Very low	58 Å²	58	127.2 Å²	127.2	30%	0.297	68%	0.676	S	S	.	*	S	Bend	trans	-84.2	-15.3	156.6	-65.1	175.9	0	0	0	110.5	L48	L48-I260 HydrophobicContact CD1-CG2 3.62Å; L48-I260 HydrophobicContact CD2-CG2 3.57Å; L48-I260 HydrophobicContact CG-CG2 4.26Å
261	T	44.4	Very low	33.2	Very low	94 Å²	94	127.3 Å²	127.3	58%	0.577	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-79.9	-13.3	-179.3	31.2	0	0	0	0	115.2	D259 L263	D259-T261 VanDerWaalsContact C-N 3.32Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å; T261-L263 PolarHBondContact O-N 2.82Å
262	D	43.6	Very low	33.3	Very low	77 Å²	77	125 Å²	125	41%	0.412	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-79.5	1	178.7	-93.7	-15.8	0	0	0	114.8	D259 V264 K265	D259-D262 HydrophobicContact CB-CB 4.37Å; D262-V264 PolarHBondContact O-N 2.87Å; D262-K265 IonicContact OD1-NZ 3.13Å; D262-K265 PolarHBondContact OD1-NZ 2.88Å
263	L	40.4	Very low	33.4	Very low	96 Å²	96	129.2 Å²	129.2	50%	0.503	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-82.8	3.2	177.9	-71	164.6	0	0	0	113.6	A226 T261	A226-L263 HydrophobicContact CB-CD1 4.39Å; T261-L263 PolarHBondContact O-N 2.82Å
264	V	38.6	Very low	33.4	Very low	70 Å²	70	131.8 Å²	131.8	42%	0.424	69%	0.685	S	S	.	*	G	3₁₀ helix	trans	-125.6	2.7	-165.3	-178.1	0	0	0	0	113.2	K41 D262	K41-V264 HydrophobicContact CD-CG1 3.59Å; K41-V264 HydrophobicContact CG-CG1 4.01Å; K41-V264 VanDerWaalsContact NZ-CG1 3.27Å; D262-V264 PolarHBondContact O-N 2.87Å
265	K	33.9	Very low	33.6	Very low	149 Å²	149	129.2 Å²	129.2	65%	0.648	67%	0.668	S	S	*	*			trans	-87.5	130.4	178.2	-72.2	174.1	-176.1	155.9	0	110.9	D262 I267	D262-K265 IonicContact OD1-NZ 3.13Å; D262-K265 PolarHBondContact OD1-NZ 2.88Å; K265-I267 PolarHBondContact O-N 3.24Å
266	P	28.1	Very low	33.6	Very low	105 Å²	105	129.3 Å²	129.3	68%	0.682	67%	0.669	S	S	*	*			trans	-56.9	135.5	166.1	-16.8	28.8	0	0	0	109.2	H268	P266-H268 PolarHBondContact O-N 3.22Å
267	I	31.7	Very low	33.8	Very low	155 Å²	155	130.5 Å²	130.5	80%	0.795	68%	0.675	S	S	*	*			trans	-66.6	98.3	170.2	-60.4	170.5	0	0	0	106.7	K265 I269	K265-I267 PolarHBondContact O-N 3.24Å; I267-I269 HydrophobicContact CG2-CG1 4.18Å; I267-I269 PolarHBondContact O-N 3.2Å
268	H	28.7	Very low	33.9	Very low	159 Å²	159	131.6 Å²	131.6	74%	0.736	68%	0.682	S	S	*	*			trans	-73	111.7	159.9	-94.7	-88.9	0	0	0	106.9	P266 D270	P266-H268 PolarHBondContact O-N 3.22Å; H268-D270 PolarHBondContact O-N 3.5Å
269	I	32.3	Very low	33.6	Very low	153 Å²	153	133.1 Å²	133.1	79%	0.785	68%	0.684	S	S	*	*			trans	-74.3	104.9	165.3	-60.8	173.3	0	0	0	105.3	I267 A271	I267-I269 HydrophobicContact CG2-CG1 4.18Å; I267-I269 PolarHBondContact O-N 3.2Å; I269-A271 PolarHBondContact O-N 3.4Å
270	D	28.2	Very low	33.4	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	70%	0.702	S	S	*	*			trans	-63.5	105.2	172.8	-78.6	-35.6	0	0	0	109.3	H268 N272	H268-D270 PolarHBondContact O-N 3.5Å; D270-N272 VanDerWaalsContact C-N 3.31Å; D270-N272 PolarHBondContact O-N 3.46Å; D270-N272 VanDerWaalsContact O-N 3.07Å
271	A	28.9	Very low	32.8	Very low	91 Å²	91	139.1 Å²	139.1	75%	0.752	72%	0.722	S	S	*	*			trans	-74.6	84.3	166.8	0	0	0	0	0	108.4	I269	I269-A271 PolarHBondContact O-N 3.4Å
272	N	29.2	Very low	32.3	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	73%	0.731	S	S	*	*			trans	-162.6	76.9	167.1	-95.1	-21.2	0	0	0	110.4	D270	D270-N272 VanDerWaalsContact C-N 3.31Å; D270-N272 PolarHBondContact O-N 3.46Å; D270-N272 VanDerWaalsContact O-N 3.07Å
273	Y	29.9	Very low	31.7	Very low	217 Å²	217	144.6 Å²	144.6	85%	0.851	75%	0.748	S	S	*	*			trans	-148.4	73.1	155.8	-163.1	-98.9	0	0	0	109
274	E	27.6	Very low	31.2	Very low	191 Å²	191	145.4 Å²	145.4	89%	0.893	76%	0.761	S	S	*	*			trans	-84.2	120.4	162.6	-115.2	-178.8	153.7	0	0	107.8
275	S	31.6	Very low	31.1	Very low	74 Å²	74	150.6 Å²	150.6	52%	0.517	78%	0.781	S	S	.	*			trans	-175	119.4	139.7	66.2	0	0	0	0	111.9
276	H	28.3	Very low	30.9	Very low	179 Å²	179	152.2 Å²	152.2	83%	0.829	79%	0.791	S	S	*	*			trans	66.1	109	154.2	-62.1	-69.4	0	0	0	119.1
277	I	35	Very low	31.1	Very low	176 Å²	176	158.3 Å²	158.3	90%	0.903	80%	0.801	S	S	*	*				-166.8	144.4	116.9	-86.1	147	0	0	0	108.5
278	E	33.8	Very low	31.1	Very low	188 Å²	188	157.3 Å²	157.3	88%	0.879	80%	0.795	S	S	*	*			trans	-66	154.5	-155.3	-65.9	166.8	139.9	0	0	118.1
279	H	28.6	Very low	31.1	Very low	173 Å²	173	158.2 Å²	158.2	80%	0.801	80%	0.8	S	S	*	*			trans	-49.5	140.6	172	-78.4	-70.2	0	0	0	114.9
280	T	34.7	Very low	31.1	Very low	138 Å²	138	158.1 Å²	158.1	85%	0.847	80%	0.8	S	S	*	*				-167.7	147.5	115	33.2	0	0	0	0	110.3
281	D	31.9	Very low	31.2	Very low	137 Å²	137	159.8 Å²	159.8	73%	0.733	80%	0.801	S	S	*	*			trans	-73	143.4	-156.4	-48.8	-66.3	0	0	0	115.6
282	N	33.4	Very low	31.3	Very low	144 Å²	144	161.6 Å²	161.6	77%	0.77	80%	0.804	S	S	*	*				177	117.8	114.4	-115.5	-18.1	0	0	0	112.3
283	D	31.5	Very low	31.3	Very low	142 Å²	142	161.8 Å²	161.8	76%	0.759	81%	0.805	S	S	*	*			trans	44.1	124.6	142.4	-66.6	-24.1	0	0	0	122.7
284	S	30	Very low	31.5	Very low	112 Å²	112	163.3 Å²	163.3	78%	0.783	81%	0.81	S	S	*	*			trans	88.7	83.3	138.9	59.1	0	0	0	0	120.2
285	E	35.3	Very low	31.6	Very low	180 Å²	180	165.6 Å²	165.6	84%	0.841	81%	0.81	S	S	*	*			trans	-146.9	108.9	136.4	-76.5	-156.3	151.5	0	0	111.2
286	Q	30.7	Very low	31.9	Very low	183 Å²	183	168.3 Å²	168.3	86%	0.855	83%	0.826	S	S	*	*			trans	-98	105.5	-179.4	-160.9	175.2	42.2	0	0	108.9	I288	Q286-I288 PolarHBondContact O-N 3.08Å
287	W	32	Very low	32	Very low	233 Å²	233	165.7 Å²	165.7	88%	0.883	83%	0.828	S	S	*	*			trans	-76.9	114.8	167.7	-73.8	68.7	0	0	0	108.7	Q289	W287-Q289 PolarHBondContact O-N 3.13Å
288	I	31.6	Very low	32.5	Very low	133 Å²	133	167.1 Å²	167.1	68%	0.682	83%	0.828	S	S	*	*			trans	-77.2	109.4	-178.2	-65.7	173.9	0	0	0	109.4	Q286 L290	Q286-I288 PolarHBondContact O-N 3.08Å; I288-L290 HydrophobicContact CG2-CD1 3.7Å; I288-L290 HydrophobicContact CG2-CD2 4.34Å; I288-L290 HydrophobicContact CG2-CG 3.54Å
289	Q	28.9	Very low	32.7	Very low	179 Å²	179	164 Å²	164	84%	0.836	82%	0.824	S	S	*	*			trans	-101.2	94.8	170	-158.8	171.2	22	0	0	108.2	W287 K291	W287-Q289 PolarHBondContact O-N 3.13Å; Q289-K291 PolarHBondContact O-N 3.44Å
290	L	31.2	Very low	32.9	Very low	151 Å²	151	165.3 Å²	165.3	79%	0.791	83%	0.83	S	S	*	*			trans	-86	101.4	179.2	-77.3	159.4	0	0	0	110.7	I288	I288-L290 HydrophobicContact CG2-CD1 3.7Å; I288-L290 HydrophobicContact CG2-CD2 4.34Å; I288-L290 HydrophobicContact CG2-CG 3.54Å
291	K	32.2	Very low	33	Very low	182 Å²	182	161.9 Å²	161.9	79%	0.791	82%	0.822	S	S	*	*			trans	-86.8	136.9	159.2	-77.9	-178.9	176.9	175.7	0	109.3	Q289 N293	Q289-K291 PolarHBondContact O-N 3.44Å; K291-N293 PolarHBondContact O-N 3.19Å
292	P	30	Very low	33.4	Very low	128 Å²	128	160.7 Å²	160.7	83%	0.831	82%	0.824	S	S	*	*			trans	-82.8	116.6	176.1	31.4	-28.6	0	0	0	109.7
293	N	29.2	Very low	33.7	Very low	157 Å²	157	162.6 Å²	162.6	84%	0.84	83%	0.829	S	S	*	*			trans	-158.4	109.1	162.6	-136.9	-0.7	0	0	0	111.5	K291	K291-N293 PolarHBondContact O-N 3.19Å
294	R	34.6	Very low	34	Very low	249 Å²	249	160.4 Å²	160.4	94%	0.94	83%	0.83	S	S	*	*			trans	-150.7	109.4	157.9	-77.1	-161.8	178.1	-172.2	-1.2	111.1
295	R	29.7	Very low	34.3	Very low	239 Å²	239	162 Å²	162	90%	0.902	83%	0.83	S	S	*	*			trans	-96.9	141.2	141.3	-78.7	-173	-161	-171.9	5.1	107.5
296	P	36.7	Very low	34.6	Very low	132 Å²	132	157.7 Å²	157.7	86%	0.857	82%	0.82	S	S	*	*			trans	-92.4	128.4	176.7	32.9	-26.9	0	0	0	111.1
297	S	32.1	Very low	35.2	Very low	123 Å²	123	154.5 Å²	154.5	86%	0.86	82%	0.818	S	S	*	*			trans	-110.8	133.4	159.6	38.6	0	0	0	0	108.9
298	K	44	Very low	35.6	Very low	207 Å²	207	148.8 Å²	148.8	90%	0.9	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-97.5	154.9	175.7	-118.7	-176.4	176.1	-179.2	0	109.9
299	P	38.1	Very low	36	Very low	122 Å²	122	148.6 Å²	148.6	79%	0.792	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-95.5	172.8	-164.8	38.1	-32.5	0	0	0	114.7
300	E	32.9	Very low	36.5	Very low	201 Å²	201	145.4 Å²	145.4	94%	0.939	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-55	157.4	-170.8	-61.8	166.7	136.5	0	0	117.6
301	G	38.3	Very low	36.7	Very low	66 Å²	66	142.7 Å²	142.7	68%	0.68	80%	0.804	S	S	*	*			trans	174.6	88.6	165.8	0	0	0	0	0	114.8
302	S	39.5	Very low	36.7	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	80%	0.801	S	S	*	*			trans	56.2	124.3	143	59.4	0	0	0	0	123.6
303	E	39.3	Very low	36.9	Very low	185 Å²	185	138.7 Å²	138.7	86%	0.864	80%	0.797	S	S	*	*			trans	91.8	114.5	137.3	-71.4	-176.4	-177.5	0	0	122.3
304	A	38.5	Very low	37.2	Very low	96 Å²	96	139.6 Å²	139.6	79%	0.793	79%	0.793	S	S	*	*			trans	42.8	139	136.8	0	0	0	0	0	119.3
305	D	36.8	Very low	37.2	Very low	144 Å²	144	133.9 Å²	133.9	77%	0.77	78%	0.781	S	S	*	*			cis	-167	147.1	28.8	-151.1	-19.5	0	0	0	110.2
306	S	39.7	Very low	37.3	Very low	90 Å²	90	128.6 Å²	128.6	63%	0.629	77%	0.77	S	S	*	*			trans	36	120.2	148.2	47.9	0	0	0	0	123.8
307	S	43.3	Very low	37.2	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	77%	0.765	S	S	*	*				157.6	153.7	104.1	-76.5	0	0	0	0	114.5
308	P	41.6	Very low	37.2	Very low	113 Å²	113	130.9 Å²	130.9	73%	0.734	76%	0.759	S	S	*	*			trans	-125.5	158.2	-131.4	36.6	-20.5	0	0	0	118.4
309	V	39.3	Very low	36.6	Very low	130 Å²	130	127 Å²	127	79%	0.788	75%	0.749	S	S	*	*			trans	-5.6	162.3	135.4	-128.4	0	0	0	0	116.9
310	P	40	Very low	36.3	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	75%	0.748	S	S	*	*			cis	-157.5	172.6	44.2	39.6	-13.2	0	0	0	122
311	S	34.1	Very low	36.4	Very low	94 Å²	94	123.3 Å²	123.3	66%	0.657	73%	0.734	S	S	*	*			trans	-6	159.4	154.1	55.2	0	0	0	0	120.6
312	T	32.9	Very low	36.2	Very low	119 Å²	119	126 Å²	126	73%	0.73	74%	0.738	S	S	*	*				170	161.1	59.2	-20.3	0	0	0	0	109.5
313	S	34.7	Very low	36.1	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	74%	0.736	S	S	*	*			trans	75.7	152.4	149.1	-51.3	0	0	0	0	118
314	K	35.5	Very low	36	Very low	175 Å²	175	121.5 Å²	121.5	76%	0.761	73%	0.727	S	S	*	*			cis	179.9	157.3	-17.8	-119.1	-177.7	-179.8	178.3	0	104.3
315	D	34.6	Very low	35.8	Very low	129 Å²	129	122.6 Å²	122.6	69%	0.69	72%	0.724	S	S	*	*			trans	71.3	153.5	154	-57.2	-26.3	0	0	0	118.6
316	I	30.7	Very low	35.9	Very low	129 Å²	129	125.5 Å²	125.5	66%	0.662	73%	0.729	S	S	*	*			cis	-179.7	164.3	-10.1	-98	165.9	0	0	0	104.5
317	L	36	Very low	35.5	Very low	142 Å²	142	127.5 Å²	127.5	74%	0.743	74%	0.738	S	S	*	*			trans	82.9	113.1	164.3	-72.6	139.3	0	0	0	117.9
318	Q	30.8	Very low	35.2	Very low	160 Å²	160	134 Å²	134	75%	0.748	75%	0.745	S	S	*	*				71.5	134.7	67.3	-93.7	175.4	0.2	0	0	116.2
319	N	30.9	Very low	34.6	Very low	127 Å²	127	131.9 Å²	131.9	68%	0.679	74%	0.743	S	S	*	*			trans	80.4	143.1	155.1	-65.7	0.9	0	0	0	116.5
320	E	32.6	Very low	34.5	Very low	166 Å²	166	133.6 Å²	133.6	78%	0.776	75%	0.746	S	S	*	*			cis	-178.2	162.6	-14	-120.1	-166.1	143.6	0	0	104.6
321	A	34.5	Very low	34	Very low	78 Å²	78	133.5 Å²	133.5	65%	0.645	75%	0.748	S	S	*	*			trans	72.7	141.8	147.2	0	0	0	0	0	117
322	T	34.4	Very low	34.1	Very low	124 Å²	124	139.1 Å²	139.1	76%	0.761	76%	0.76	S	S	*	*			cis	-175.1	155.1	18.5	-0	0	0	0	0	110.8
323	S	36.8	Very low	34.1	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	76%	0.762	S	S	*	*			trans	77.7	143.7	139.9	83.4	0	0	0	0	118.7
324	S	38.1	Very low	33.7	Very low	96 Å²	96	140.6 Å²	140.6	67%	0.671	76%	0.764	S	S	*	*			cis	-173.1	148.3	-2.5	42.9	0	0	0	0	111.8
325	T	34.6	Very low	33.6	Very low	119 Å²	119	137.8 Å²	137.8	73%	0.73	77%	0.767	S	S	*	*			trans	54.6	124	141.8	48.6	0	0	0	0	122.4
326	K	37.9	Very low	33.4	Very low	204 Å²	204	140.5 Å²	140.5	89%	0.887	77%	0.773	S	S	*	*				-171.4	142.2	88.2	-99.3	-179.4	-177.5	168.6	0	113.8
327	T	31.2	Very low	33.4	Very low	132 Å²	132	139.4 Å²	139.4	81%	0.81	78%	0.776	S	S	*	*			trans	-80.3	147.8	-175.4	14.4	0	0	0	0	114.1
328	R	37.9	Very low	33.3	Very low	253 Å²	253	138.2 Å²	138.2	96%	0.955	78%	0.777	S	S	*	*			trans	-165.2	116.8	132	-117.3	178.1	178.9	-171.2	-0.5	111
329	G	29.7	Very low	33.2	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	78%	0.779	S	S	*	*			trans	-88.9	157.6	170.2	0	0	0	0	0	112.1
330	I	37.1	Very low	33.2	Very low	167 Å²	167	140.4 Å²	140.4	86%	0.856	78%	0.783	S	S	*	*			trans	-137.9	114.8	152	-65.4	-176.1	0	0	0	107.6
331	S	29.1	Very low	33.2	Very low	109 Å²	109	137.8 Å²	137.8	76%	0.762	78%	0.783	S	S	*	*			trans	-75.6	143.6	166.7	-34.5	0	0	0	0	110.2
332	K	36.4	Very low	33	Very low	212 Å²	212	137.8 Å²	137.8	92%	0.922	78%	0.779	S	S	*	*			trans	169.7	132.2	153.4	-95.3	162.4	-172	-171.6	0	106.1
333	G	32.2	Very low	32.8	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	78%	0.784	S	S	*	*			cis	164.3	143	9.2	0	0	0	0	0	107
334	F	26.9	Very low	32.6	Very low	184 Å²	184	142.4 Å²	142.4	81%	0.807	78%	0.778	S	S	*	*			trans	-34	144	168.9	-92	-112.7	0	0	0	116.4
335	S	32.7	Very low	32.9	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	78%	0.783	S	S	*	*			trans	-174.5	102.3	136.1	-74.5	0	0	0	0	106.9
336	K	31.9	Very low	32.8	Very low	185 Å²	185	144.1 Å²	144.1	80%	0.804	79%	0.787	S	S	*	*				45.7	126	80	-78.6	-170.8	176.4	-177.4	0	114.6
337	S	29.5	Very low	32.6	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	78%	0.782	S	S	*	*			trans	-43	168.2	-175.3	-37.2	0	0	0	0	117.2
338	P	34.1	Very low	32.8	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	78%	0.784	S	S	*	*				-135.9	139.6	77.7	15	9.4	0	0	0	113
339	E	29.3	Very low	32.7	Very low	168 Å²	168	137 Å²	137	79%	0.785	78%	0.775	S	S	*	*				65.5	126.7	87	-68.7	-171.9	167.9	0	0	116.4
340	H	30.2	Very low	32.9	Very low	165 Å²	165	141 Å²	141	76%	0.764	78%	0.779	S	S	*	*			trans	64.5	107.5	151.5	-85.3	-88.7	0	0	0	120.6
341	S	32.5	Very low	32.9	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	78%	0.78	S	S	*	*			trans	-146.3	85.6	133.3	-174.6	0	0	0	0	109.7
342	S	30.1	Very low	33	Very low	79 Å²	79	141.4 Å²	141.4	55%	0.552	78%	0.78	S	S	*	*			trans	-71	116.3	159	46.2	0	0	0	0	108.4	V344	S342-V344 VanDerWaalsContact C-N 3.35Å; S342-V344 PolarHBondContact O-N 2.89Å
343	Y	30.6	Very low	33	Very low	225 Å²	225	138.1 Å²	138.1	88%	0.882	78%	0.777	S	S	*	*			trans	-72.6	95.2	164.5	-121.1	-95.6	0	0	0	108.1
344	V	33.5	Very low	33.1	Very low	100 Å²	100	140.1 Å²	140.1	61%	0.606	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-99.9	121.7	163.8	176.4	0	0	0	0	106	S342 T346	S342-V344 VanDerWaalsContact C-N 3.35Å; S342-V344 PolarHBondContact O-N 2.89Å; V344-T346 PolarHBondContact O-N 3.3Å
345	P	42.7	Very low	33.2	Very low	118 Å²	118	140.8 Å²	140.8	77%	0.766	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-72.2	119.8	162.9	-5.2	22.3	0	0	0	107.8	D347	P345-D347 PolarHBondContact O-N 3.4Å
346	T	34.2	Very low	33.2	Very low	134 Å²	134	141.1 Å²	141.1	82%	0.822	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.6	124.3	177.3	-41	0	0	0	0	110.2	V344	V344-T346 PolarHBondContact O-N 3.3Å
347	D	32.9	Very low	33.3	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-63.7	135.4	159.5	-111.3	-28.9	0	0	0	109.9	P345	P345-D347 PolarHBondContact O-N 3.4Å
348	Q	35.8	Very low	33.2	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	78%	0.775	S	S	*	*			trans	148.6	99.4	139.2	-81.3	175.4	8.3	0	0	113
349	S	34.9	Very low	33.4	Very low	112 Å²	112	139.9 Å²	139.9	78%	0.783	78%	0.779	S	S	*	*			trans	174.3	88	134.7	37.3	0	0	0	0	106
350	I	34.4	Very low	33.5	Very low	153 Å²	153	138 Å²	138	79%	0.785	78%	0.78	S	S	*	*				34.9	88.3	95.3	-54.8	178.4	0	0	0	111.3
351	V	37	Very low	33.4	Very low	144 Å²	144	139.7 Å²	139.7	87%	0.873	78%	0.781	S	S	*	*				-145.6	124.9	128.9	-163.5	0	0	0	0	107.8
352	D	32.1	Very low	33.6	Very low	141 Å²	141	142.4 Å²	142.4	75%	0.754	79%	0.785	S	S	*	*			trans	-61.8	156	179.9	-65	-70.1	0	0	0	114.2
353	V	35.8	Very low	33.8	Very low	142 Å²	142	145.3 Å²	145.3	86%	0.861	79%	0.794	S	S	*	*				170.4	142.2	125	158.2	0	0	0	0	109.3
354	P	34.8	Very low	34.2	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	79%	0.792	S	S	*	*			trans	-107.3	168.9	-140.1	36.7	-27.5	0	0	0	117.3
355	K	28.7	Very low	34.5	Very low	198 Å²	198	141.3 Å²	141.3	86%	0.861	80%	0.795	S	S	*	*			trans	-37.2	144.9	167.5	-65.7	168.7	175	171.4	0	116
356	T	33.3	Very low	34.3	Very low	123 Å²	123	141.2 Å²	141.2	76%	0.755	79%	0.792	S	S	*	*			trans	176.3	147.3	136.1	44.6	0	0	0	0	107
357	N	34	Very low	34.5	Very low	146 Å²	146	141 Å²	141	78%	0.781	79%	0.79	S	S	*	*			cis	-166	153.3	-0.6	-96	-20.1	0	0	0	106.9
358	S	26.8	Very low	34.8	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	79%	0.785	S	S	*	*			trans	-58.2	168.9	160.3	-33.7	0	0	0	0	111.6
359	P	37.4	Very low	34.8	Very low	130 Å²	130	136.5 Å²	136.5	84%	0.844	78%	0.784	S	S	*	*			trans	-132.2	127.9	138.2	27.3	-10.6	0	0	0	113.4
360	T	33	Very low	35.1	Very low	130 Å²	130	136 Å²	136	80%	0.798	78%	0.78	S	S	*	*			trans	-81.2	141.6	164.9	-47	0	0	0	0	108.8
361	Y	28.1	Very low	35.4	Very low	199 Å²	199	136.1 Å²	136.1	78%	0.78	78%	0.777	S	S	*	*			trans	-52.2	143.3	165.1	-85.8	-103.5	0	0	0	111.7
362	I	36.5	Very low	35.6	Very low	169 Å²	169	135.1 Å²	135.1	87%	0.867	77%	0.767	S	S	*	*				-165.5	138.7	129	-88.8	144.3	0	0	0	109.6
363	N	33.4	Very low	36	Very low	140 Å²	140	136.3 Å²	136.3	75%	0.749	77%	0.772	S	S	*	*			trans	-68.2	164.6	-177.4	-90.7	-25.7	0	0	0	116.6
364	V	38.5	Very low	36.5	Very low	136 Å²	136	134 Å²	134	82%	0.824	76%	0.76	S	S	*	*			trans	104.3	140.5	140.4	159.8	0	0	0	0	118.6
365	P	40.7	Very low	36.7	Very low	105 Å²	105	136.3 Å²	136.3	68%	0.682	76%	0.76	S	S	*	*			trans	-122.8	-168.9	-133	34.6	-15.8	0	0	0	114.2
366	V	38.8	Very low	37.1	Very low	115 Å²	115	134.6 Å²	134.6	70%	0.697	76%	0.759	S	S	*	*			trans	139.9	114	135.2	170.7	0	0	0	0	114.4
367	T	37.1	Very low	37.4	Very low	129 Å²	129	134 Å²	134	79%	0.791	76%	0.759	S	S	*	*			trans	48.8	136.7	147.3	61.9	0	0	0	0	119.5
368	A	39.6	Very low	38	Very low	82 Å²	82	132.9 Å²	132.9	68%	0.678	76%	0.76	S	S	*	*				175.4	147.2	61.2	0	0	0	0	0	110.2
369	N	36.8	Very low	38.6	Very low	151 Å²	151	132 Å²	132	81%	0.807	76%	0.759	S	S	*	*			trans	63.6	115.7	147.2	-69	6.4	0	0	0	120.8
370	S	40.9	Very low	38.7	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	76%	0.757	S	S	*	*				86.6	129.1	83.6	-137.5	0	0	0	0	109
371	Q	41	Very low	38.8	Very low	156 Å²	156	130.4 Å²	130.4	73%	0.729	76%	0.755	S	S	*	*			cis	-165.5	136.6	40.7	-81.4	-171.5	-79.2	0	0	108.1
372	D	40.7	Very low	39.2	Very low	124 Å²	124	128.2 Å²	128.2	66%	0.663	76%	0.756	S	S	*	*				82.8	121.3	105.1	-61.6	-35.3	0	0	0	115.5
373	I	39.4	Very low	39.4	Very low	166 Å²	166	127.5 Å²	127.5	85%	0.851	75%	0.754	S	S	*	*				177.3	143.6	103.9	-82.8	164.4	0	0	0	110.6
374	P	46.5	Very low	39.9	Very low	93 Å²	93	125.3 Å²	125.3	60%	0.604	75%	0.747	S	S	*	*			trans	-128.9	-165.5	-150.5	25.7	0.6	0	0	0	116
375	H	39.3	Very low	39.8	Very low	165 Å²	165	125.9 Å²	125.9	76%	0.764	75%	0.745	S	S	*	*			trans	91.4	133.8	164	-57.9	-76.2	0	0	0	116.1
376	I	38.4	Very low	39.5	Very low	161 Å²	161	125.3 Å²	125.3	83%	0.826	74%	0.744	S	S	*	*				-157.6	118.6	50.2	-69.2	168.2	0	0	0	111.6
377	S	39	Very low	39.4	Very low	110 Å²	110	127.6 Å²	127.6	77%	0.769	75%	0.751	S	S	*	*				42.3	158.8	125	-74	0	0	0	0	127.9
378	P	46.2	Very low	39.3	Very low	124 Å²	124	128.2 Å²	128.2	81%	0.805	75%	0.75	S	S	*	*			trans	-132.8	-167.7	-142.2	44.5	-25.6	0	0	0	116.5
379	A	40	Very low	39	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	75%	0.747	S	S	*	*			trans	-156.9	114.7	157.7	0	0	0	0	0	111.3
380	S	39.1	Very low	38.8	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	75%	0.746	S	S	*	*				75.8	123.9	99.8	-47	0	0	0	0	114.1
381	C	35.3	Very low	38.5	Very low	113 Å²	113	129.1 Å²	129.1	76%	0.764	75%	0.747	S	S	*	*				-164.7	130.1	56.2	-49.9	0	0	0	0	109.2
382	L	36.9	Very low	38.3	Very low	154 Å²	154	128.1 Å²	128.1	81%	0.806	75%	0.746	S	S	*	*				59.9	130.9	84.1	-64	-177.6	0	0	0	114.6
383	L	39.2	Very low	37.9	Very low	154 Å²	154	131.5 Å²	131.5	81%	0.806	75%	0.75	S	S	*	*			cis	-166.7	176	9	-95.9	166.7	0	0	0	110.8
384	P	44.3	Very low	37.5	Very low	93 Å²	93	133.7 Å²	133.7	60%	0.604	75%	0.747	S	S	*	*			trans	-124.3	-151.9	-160.3	43.8	-27.7	0	0	0	115.4
385	D	36.1	Very low	36.8	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	75%	0.754	S	S	*	*			trans	101.3	142.1	164.2	-60.4	-26.3	0	0	0	117.1
386	S	36	Very low	36.7	Very low	94 Å²	94	136.4 Å²	136.4	66%	0.657	76%	0.762	S	S	*	*			cis	-178.8	140.2	-9.5	51.8	0	0	0	0	110.3
387	L	35.3	Very low	36.5	Very low	162 Å²	162	134.2 Å²	134.2	85%	0.848	76%	0.761	S	S	*	*			trans	63	149.5	135.6	-65.2	164.7	0	0	0	125.5
388	N	34.4	Very low	36.5	Very low	143 Å²	143	134.7 Å²	134.7	77%	0.765	76%	0.762	S	S	*	*			trans	86.5	141.8	157.1	-88	4.2	0	0	0	120.1
389	T	34.3	Very low	36	Very low	101 Å²	101	135.8 Å²	135.8	62%	0.62	77%	0.766	S	S	*	*			cis	-175.8	143.4	-16.4	20.8	0	0	0	0	108.4
390	N	31.9	Very low	35.6	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	77%	0.77	S	S	*	*			trans	64.5	141.4	143.1	-69.1	-25.7	0	0	0	124.7
391	S	36.2	Very low	35.3	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	77%	0.766	S	S	*	*			trans	84.4	142	150.8	-62.1	0	0	0	0	117.5
392	L	35.5	Very low	35.2	Very low	134 Å²	134	138.7 Å²	138.7	70%	0.702	77%	0.768	S	S	*	*			cis	176.9	148.7	-14.7	-111.5	167	0	0	0	104
393	W	32.5	Very low	34.7	Very low	196 Å²	196	135.8 Å²	135.8	74%	0.742	76%	0.761	S	S	*	*			trans	76.6	107.4	162	-59.6	106.7	0	0	0	122.9
394	R	31.6	Very low	34.5	Very low	212 Å²	212	138.4 Å²	138.4	80%	0.8	77%	0.766	S	S	*	*				70.5	138.1	117.8	-163.5	174.5	-79.7	-115.4	0.9	120.8
395	P	32.1	Very low	33.7	Very low	114 Å²	114	142.9 Å²	142.9	74%	0.74	78%	0.779	S	S	*	*			trans	-102.5	153.8	-165.5	38.9	-29.6	0	0	0	114.4
396	Q	35.5	Very low	33.6	Very low	201 Å²	201	141.4 Å²	141.4	94%	0.939	78%	0.78	S	S	*	*			trans	-141.8	144.7	158.4	-72	-162.9	0	0	0	111.4
397	S	35.8	Very low	33.4	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	78%	0.778	S	S	*	*			trans	-92.2	-176.4	-171.3	63.7	0	0	0	0	111.7
398	P	37.9	Very low	33.2	Very low	121 Å²	121	143 Å²	143	79%	0.786	78%	0.78	S	S	*	*				-111	164.8	-122.6	24.4	-1.3	0	0	0	114.1
399	V	36.1	Very low	33.3	Very low	147 Å²	147	142.5 Å²	142.5	89%	0.891	78%	0.782	S	S	*	*			trans	-134.4	133.6	168.5	179.8	0	0	0	0	110.2
400	S	31.4	Very low	33.2	Very low	114 Å²	114	143.1 Å²	143.1	80%	0.797	79%	0.787	S	S	*	*			trans	-62.4	162.7	-179.8	-55.5	0	0	0	0	115.5
401	A	32.1	Very low	32.9	Very low	87 Å²	87	144.5 Å²	144.5	72%	0.719	80%	0.795	S	S	*	*			trans	107.5	124.4	138.2	0	0	0	0	0	118.8
402	Q	33.4	Very low	32.7	Very low	173 Å²	173	148.4 Å²	148.4	81%	0.808	80%	0.798	S	S	*	*			trans	87.2	98.5	143.5	-70.3	171.8	4.6	0	0	119.9
403	S	28.2	Very low	32.3	Very low	93 Å²	93	148.8 Å²	148.8	65%	0.65	81%	0.807	S	S	*	*				36.8	112.5	126.1	61.4	0	0	0	0	118.6
404	F	34.3	Very low	32.3	Very low	209 Å²	209	144.4 Å²	144.4	92%	0.917	80%	0.801	S	S	*	*			trans	-151.5	119.7	136	-81.8	-70.5	0	0	0	109.9
405	H	27.8	Very low	32.3	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.866	80%	0.803	S	S	*	*			trans	-67.9	137.5	160.4	-115	-89.8	0	0	0	108.4
406	S	34.5	Very low	32.9	Very low	117 Å²	117	143.5 Å²	143.5	82%	0.818	80%	0.801	S	S	*	*			trans	-151	130	136.3	-161.4	0	0	0	0	110.7
407	S	29.9	Very low	34.2	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	77%	0.773	S	S	*	*			trans	-58.9	146.1	176.6	-39.7	0	0	0	0	112.1
408	F	32.3	Very low	35.8	Very low	200 Å²	200	133 Å²	133	88%	0.877	75%	0.748	S	S	*	*				168.7	159.8	126.7	-108.1	-93.8	0	0	0	109.4
409	V	35.2	Very low	37.2	Very low	133 Å²	133	127.8 Å²	127.8	81%	0.806	72%	0.715	S	S	*	*			trans	101.3	132	168.7	-168.1	0	0	0	0	113.4
410	P	32.8	Very low	38.9	Very low	114 Å²	114	123.6 Å²	123.6	74%	0.74	69%	0.692	S	S	*	*				-121.1	172.8	-94.7	19.1	7.1	0	0	0	112.6	K412	P410-K412 PolarHBondContact O-N 3.17Å
411	N	25.5	Very low	40.9	Very low	175 Å²	175	120.7 Å²	120.7	94%	0.936	68%	0.675	S	S	*	*			trans	-42.5	102.2	174.3	-87.1	-18.2	0	0	0	113.8
412	K	31.7	Very low	43	Very low	187 Å²	187	117.8 Å²	117.8	81%	0.813	65%	0.647	S	S	*	*			trans	-111.4	126.3	144.3	-94.1	-180	175.4	176.8	0	106.2	P410 V414	P410-K412 PolarHBondContact O-N 3.17Å; K412-V414 WeakPolarHBondContact O-CG2 3.39Å; K412-V414 PolarHBondContact O-N 3.29Å
413	T	27.7	Very low	44.8	Very low	142 Å²	142	110.9 Å²	110.9	87%	0.871	62%	0.62	S	S	*	*			trans	-54.5	97	169.7	44.4	0	0	0	0	109.2
414	V	33	Very low	46.6	Very low	103 Å²	103	109.9 Å²	109.9	62%	0.624	61%	0.613	S	S	*	*			trans	-85.4	110.5	173.3	179	0	0	0	0	106.4	K412 H416	K412-V414 WeakPolarHBondContact O-CG2 3.39Å; K412-V414 PolarHBondContact O-N 3.29Å; V414-H416 VanDerWaalsContact C-N 3.35Å; V414-H416 PolarHBondContact O-N 3.25Å
415	N	30.9	Very low	47.9	Very low	157 Å²	157	102.8 Å²	102.8	84%	0.84	59%	0.589	S	S	*	*			trans	-60.4	101.4	165.5	-70.8	-20.2	0	0	0	107.2	S417	N415-S417 PolarHBondContact O-N 3.13Å; N415-S417 VanDerWaalsContact O-N 3.12Å
416	H	44.4	Very low	49.4	Very low	150 Å²	150	95.7 Å²	95.7	69%	0.694	56%	0.556	S	S	*	*			trans	-60.2	116.4	172	-69.9	-74.1	0	0	0	107.8	V414 T418	V414-H416 VanDerWaalsContact C-N 3.35Å; V414-H416 PolarHBondContact O-N 3.25Å; H416-T418 PolarHBondContact O-N 2.87Å
417	S	62.9	Low	50	Low	51 Å²	51	96.4 Å²	96.4	36%	0.357	55%	0.55	S	S	.	*			trans	-55	137	173	175.6	0	0	0	0	108.9	N415 A419 S420 A421	N415-S417 PolarHBondContact O-N 3.13Å; N415-S417 VanDerWaalsContact O-N 3.12Å; S417-A419 PolarHBondContact O-N 3.31Å; S417-A419 VanDerWaalsContact O-N 3.09Å; S417-A419 PolarHBondContact OG-N 3.19Å; S417-S420 WeakPolarHBondContact O-CA 3.45Å; S417-S420 WeakPolarHBondContact O-CB 3.27Å; S417-S420 PolarHBondContact O-N 3.04Å; S417-A421 PolarHBondContact O-N 3.41Å
418	T	69.8	Low	50.4	Low	44 Å²	44	98.7 Å²	98.7	27%	0.27	56%	0.556	S	S	.	*	H	α-helix	trans	-48.3	-35.3	174.5	35.6	0	0	0	0	111.7	H416 A421 L422 H488	H416-T418 PolarHBondContact O-N 2.87Å; T418-A421 PolarHBondContact O-N 3.27Å; T418-L422 VanDerWaalsContact O-CG 3.31Å; T418-L422 WeakPolarHBondContact O-CG 3.38Å; T418-L422 PolarHBondContact O-N 3.34Å; T418-H488 PolarHBondContact OG1-CE1 3.27Å; T418-H488 PolarHBondContact OG1-NE2 3.12Å
419	A	67.9	Low	50.7	Low	11 Å²	11	93.8 Å²	93.8	9%	0.091	54%	0.543	C	S	.	.	H	α-helix	trans	-61.1	-46.4	173.4	0	0	0	0	0	112.9	S417 A421 L422 A423 A540 T542	S417-A419 PolarHBondContact O-N 3.31Å; S417-A419 VanDerWaalsContact O-N 3.09Å; S417-A419 PolarHBondContact OG-N 3.19Å; A419-A421 VanDerWaalsContact C-N 3.33Å; A419-L422 PolarHBondContact O-N 3.22Å; A419-A423 WeakPolarHBondContact O-CB 3.23Å; A419-A423 PolarHBondContact O-N 3.41Å; A419-A540 HydrophobicContact CB-CB 4.35Å; A419-A540 VanDerWaalsContact O-CB 3.22Å; A419-A540 WeakPolarHBondContact O-CB 3.44Å; A419-T542 VanDerWaalsContact CB-OG1 3.29Å; A419-T542 WeakPolarHBondContact CB-OG1 2.98Å
420	S	70.4	Confident	50.5	Low	60 Å²	60	96 Å²	96	42%	0.42	55%	0.55	S	S	.	*	H	α-helix	trans	-67.4	-34.3	176.8	-59.2	0	0	0	0	112	S417 A423 S424	S417-S420 WeakPolarHBondContact O-CA 3.45Å; S417-S420 WeakPolarHBondContact O-CB 3.27Å; S417-S420 PolarHBondContact O-N 3.04Å; S420-A423 PolarHBondContact O-N 3.49Å; S420-S424 VanDerWaalsContact O-CB 3.25Å; S420-S424 WeakPolarHBondContact O-CB 3.45Å; S420-S424 PolarHBondContact O-N 3.19Å; S420-S424 PolarHBondContact O-OG 3.12Å
421	A	73.7	Confident	50.3	Low	53 Å²	53	94.1 Å²	94.1	44%	0.438	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-42.9	174.2	0	0	0	0	0	111.5	S417 T418 A419 S424 S425	S417-A421 PolarHBondContact O-N 3.41Å; T418-A421 PolarHBondContact O-N 3.27Å; A419-A421 VanDerWaalsContact C-N 3.33Å; A421-S424 PolarHBondContact O-N 3.03Å; A421-S425 PolarHBondContact O-N 3.34Å
422	L	76.9	Confident	50.4	Low	25 Å²	25	92.6 Å²	92.6	13%	0.131	54%	0.537	C	S	.	.	H	α-helix	trans	-59.7	-50.3	171.9	-71	169.9	0	0	0	110.4	T418 A419 S424 S425 F426 H488 A540 L586	T418-L422 VanDerWaalsContact O-CG 3.31Å; T418-L422 WeakPolarHBondContact O-CG 3.38Å; T418-L422 PolarHBondContact O-N 3.34Å; A419-L422 PolarHBondContact O-N 3.22Å; L422-S424 VanDerWaalsContact C-N 3.33Å; L422-S424 PolarHBondContact O-N 2.81Å; L422-S425 WeakPolarHBondContact O-CB 3.37Å; L422-S425 PolarHBondContact O-N 3.18Å; L422-S425 PolarHBondContact O-OG 3.12Å; L422-F426 HydrophobicContact CB-CZ 4.28Å; L422-F426 WeakPolarHBondContact O-CD2 3.18Å; L422-F426 VanDerWaalsContact O-CE1 3.29Å; L422-F426 WeakPolarHBondContact O-CE1 3.44Å; L422-F426 WeakPolarHBondContact O-CE2 3.44Å; L422-F426 WeakPolarHBondContact O-CZ 3.39Å; L422-H488 HydrophobicContact CD1-CB 3.72Å; L422-A540 HydrophobicContact CB-CB 4.35Å; L422-L586 HydrophobicContact CD2-CD1 4.28Å; L422-L586 HydrophobicContact CD2-CD2 3.6Å
423	A	71.7	Confident	50.4	Low	29 Å²	29	91.7 Å²	91.7	24%	0.24	54%	0.535	C	S	.	.	H	α-helix	trans	-55.1	-45.5	175.5	0	0	0	0	0	112.9	A419 S420 S425 F426 A540	A419-A423 WeakPolarHBondContact O-CB 3.23Å; A419-A423 PolarHBondContact O-N 3.41Å; S420-A423 PolarHBondContact O-N 3.49Å; A423-S425 VanDerWaalsContact C-N 3.31Å; A423-S425 PolarHBondContact O-N 3.36Å; A423-F426 VanDerWaalsContact CA-CD2 3.42Å; A423-F426 VanDerWaalsContact CA-CE2 3.4Å; A423-F426 HydrophobicContact CB-CE2 4.47Å; A423-F426 WeakPolarHBondContact O-CB 3.26Å; A423-F426 WeakPolarHBondContact O-CD2 3.41Å; A423-F426 WeakPolarHBondContact O-CG 3.25Å; A423-F426 PolarHBondContact O-N 3.24Å; A423-A540 HydrophobicContact CB-CB 4.11Å
424	S	66	Low	50.3	Low	72 Å²	72	94 Å²	94	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-70.1	-29.4	-178.3	-57.4	0	0	0	0	112.5	S420 A421 L422 F426 N427	S420-S424 VanDerWaalsContact O-CB 3.25Å; S420-S424 WeakPolarHBondContact O-CB 3.45Å; S420-S424 PolarHBondContact O-N 3.19Å; S420-S424 PolarHBondContact O-OG 3.12Å; A421-S424 PolarHBondContact O-N 3.03Å; L422-S424 VanDerWaalsContact C-N 3.33Å; L422-S424 PolarHBondContact O-N 2.81Å; S424-F426 PolarHBondContact O-N 3.01Å; S424-N427 PolarHBondContact O-N 3.08Å
425	S	60.8	Low	50.2	Low	60 Å²	60	96 Å²	96	42%	0.42	55%	0.545	S	S	.	.	H	α-helix	trans	-62.5	-23.2	175.8	77	0	0	0	0	112.7	A421 L422 A423	A421-S425 PolarHBondContact O-N 3.34Å; L422-S425 WeakPolarHBondContact O-CB 3.37Å; L422-S425 PolarHBondContact O-N 3.18Å; L422-S425 PolarHBondContact O-OG 3.12Å; A423-S425 VanDerWaalsContact C-N 3.31Å; A423-S425 PolarHBondContact O-N 3.36Å
426	F	59.5	Low	50.3	Low	38 Å²	38	94.3 Å²	94.3	17%	0.167	54%	0.54	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-26.1	179.5	-51.3	-38.8	0	0	0	113.8	L422 A423 S424 N428 A490 H492 N538	L422-F426 HydrophobicContact CB-CZ 4.28Å; L422-F426 WeakPolarHBondContact O-CD2 3.18Å; L422-F426 VanDerWaalsContact O-CE1 3.29Å; L422-F426 WeakPolarHBondContact O-CE1 3.44Å; L422-F426 WeakPolarHBondContact O-CE2 3.44Å; L422-F426 WeakPolarHBondContact O-CZ 3.39Å; A423-F426 VanDerWaalsContact CA-CD2 3.42Å; A423-F426 VanDerWaalsContact CA-CE2 3.4Å; A423-F426 HydrophobicContact CB-CE2 4.47Å; A423-F426 WeakPolarHBondContact O-CB 3.26Å; A423-F426 WeakPolarHBondContact O-CD2 3.41Å; A423-F426 WeakPolarHBondContact O-CG 3.25Å; A423-F426 PolarHBondContact O-N 3.24Å; S424-F426 PolarHBondContact O-N 3.01Å; F426-N428 VanDerWaalsContact C-N 3.34Å; F426-A490 HydrophobicContact CE1-CB 4.35Å; F426-A490 HydrophobicContact CE2-CB 3.97Å; F426-A490 HydrophobicContact CZ-CB 3.39Å; F426-H492 AromaticContact CD1-CE1 3.91Å; F426-H492 AromaticContact CD1-ND1 3.88Å; F426-H492 AromaticContact CE1-CE1 3.29Å; F426-H492 WeakPolarHBondContact CE1-CE1 3.38Å; F426-H492 AromaticContact CE1-ND1 3.65Å; F426-H492 AromaticContact CZ-CE1 3.63Å; F426-H492 AromaticContact CZ-ND1 3.94Å; F426-N538 HydrophobicContact CB-CB 3.85Å; F426-N538 HydrophobicContact CD2-CB 3.89Å; F426-N538 WeakPolarHBondContact CD2-O 3.48Å; F426-N538 HydrophobicContact CG-CB 4.13Å
427	N	47.4	Very low	49.6	Very low	131 Å²	131	91.5 Å²	91.5	70%	0.701	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.5	-178.5	-68.5	-16.8	0	0	0	112.8	S424	S424-N427 PolarHBondContact O-N 3.08Å
428	N	38.8	Very low	48	Very low	137 Å²	137	97.4 Å²	97.4	73%	0.733	56%	0.564	S	S	*	*			trans	-117.5	54.6	-173.6	-91.5	-6.3	0	0	0	112.7	F426	F426-N428 VanDerWaalsContact C-N 3.34Å
429	T	37.5	Very low	46.4	Very low	98 Å²	98	101.9 Å²	101.9	60%	0.601	59%	0.591	S	S	*	*			trans	-146.9	86.8	168.4	58.7	0	0	0	0	110.8
430	N	30.6	Very low	44.4	Very low	180 Å²	180	104.7 Å²	104.7	96%	0.963	62%	0.622	S	S	*	*	S	Bend		-71.4	76.4	84.2	-74	-21.7	0	0	0	115.6
431	S	29.5	Very low	42.7	Very low	73 Å²	73	110.9 Å²	110.9	51%	0.51	64%	0.644	S	S	.	*			trans	-166.9	112.7	157.9	-165	0	0	0	0	110.1	Q433	S431-Q433 PolarHBondContact O-N 3.46Å
432	T	26.7	Very low	40.8	Very low	144 Å²	144	118 Å²	118	88%	0.883	67%	0.665	S	S	*	*			trans	-67.7	99.9	166.9	45.2	0	0	0	0	109.5
433	Q	31.6	Very low	38.7	Very low	168 Å²	168	124.8 Å²	124.8	79%	0.785	70%	0.696	S	S	*	*			trans	-126.5	102	159.8	-77	-164.2	-16.5	0	0	110.5	S431 V435	S431-Q433 PolarHBondContact O-N 3.46Å; Q433-V435 PolarHBondContact O-N 3.01Å
434	K	27.4	Very low	37	Very low	191 Å²	191	128.3 Å²	128.3	83%	0.83	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-56.9	121.4	162.1	-84.3	174.5	168.9	177.2	0	108.7
435	V	30.9	Very low	35.6	Very low	144 Å²	144	128.8 Å²	128.8	87%	0.873	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-96.7	121.3	162.3	-176.7	0	0	0	0	108.5	Q433	Q433-V435 PolarHBondContact O-N 3.01Å
436	V	31.8	Very low	34.3	Very low	121 Å²	121	132.7 Å²	132.7	73%	0.733	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-74.1	141	-172.7	162.8	0	0	0	0	111.5
437	S	30.3	Very low	33.1	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61.4	128	170.7	-58	0	0	0	0	111.8
438	L	28.9	Very low	32.3	Very low	175 Å²	175	138.9 Å²	138.9	92%	0.916	77%	0.769	S	S	*	*			trans	-91.7	107.5	170.9	-70.2	164.9	0	0	0	109.9
439	T	35.6	Very low	32.1	Very low	137 Å²	137	137.6 Å²	137.6	84%	0.84	77%	0.771	S	S	*	*			trans	-126	104.7	151.4	50.9	0	0	0	0	106.2
440	G	27.6	Very low	31.9	Very low	71 Å²	71	138.1 Å²	138.1	73%	0.732	78%	0.779	S	S	*	*			trans	-83.4	125.3	176.6	0	0	0	0	0	110.6
441	E	34	Very low	32.2	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	77%	0.773	S	S	*	*			trans	-144.8	134.4	152.1	-75	-77.4	131.7	0	0	106.8
442	K	34.6	Very low	32.4	Very low	202 Å²	202	137 Å²	137	88%	0.878	79%	0.786	S	S	*	*			trans	-32.9	140.2	-171.5	-72.2	160	172.7	169.3	0	121
443	E	32.7	Very low	32.9	Very low	168 Å²	168	135.4 Å²	135.4	79%	0.785	78%	0.78	S	S	*	*			trans	-65.3	165.8	153.9	-100.6	-85.9	135.1	0	0	111.8	S445	E443-S445 PolarHBondContact OE2-N 3.33Å
444	P	35.9	Very low	33.3	Very low	103 Å²	103	133.9 Å²	133.9	67%	0.669	79%	0.785	S	S	*	*			cis	-144.9	167.8	28.8	38	-15.5	0	0	0	121.6
445	S	34.7	Very low	33.6	Very low	82 Å²	82	131.3 Å²	131.3	57%	0.573	79%	0.785	S	S	*	*			trans	84.5	128	142.2	63.6	0	0	0	0	122	E443	E443-S445 PolarHBondContact OE2-N 3.33Å
446	N	33.8	Very low	33.8	Very low	142 Å²	142	129.6 Å²	129.6	76%	0.759	78%	0.779	S	S	*	*			trans	103.3	107.1	143.5	-66.5	-18.9	0	0	0	120.4
447	L	35.2	Very low	34.1	Very low	147 Å²	147	128.9 Å²	128.9	77%	0.77	78%	0.775	S	S	*	*			trans	93.9	107.9	134.3	-59.3	170	0	0	0	120.2
448	L	30.9	Very low	34.5	Very low	152 Å²	152	130.5 Å²	130.5	80%	0.796	78%	0.781	S	S	*	*			trans	7.2	122.8	146.8	-63.7	92.1	0	0	0	118.2
449	S	34.2	Very low	34.7	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	78%	0.776	S	S	*	*				171.4	130.1	105.9	43.9	0	0	0	0	112.7
450	S	32.7	Very low	35.3	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	78%	0.775	S	S	*	*			trans	9.7	117.9	152.8	54.7	0	0	0	0	119.8
451	S	37.5	Very low	36	Very low	120 Å²	120	138.1 Å²	138.1	84%	0.839	78%	0.775	S	S	*	*				176.6	144.5	113.6	47	0	0	0	0	112.2
452	S	33.5	Very low	36.1	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	77%	0.769	S	S	*	*			trans	-55.2	134.2	-176	46.5	0	0	0	0	116.4
453	S	37.8	Very low	36.7	Very low	110 Å²	110	128 Å²	128	77%	0.769	74%	0.743	S	S	*	*			trans	-164.8	120.7	152.3	-73.4	0	0	0	0	110.7	T455	S453-T455 PolarHBondContact O-N 2.92Å
454	P	40.5	Very low	37.1	Very low	136 Å²	136	125.9 Å²	125.9	88%	0.883	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-79.8	120.3	176.8	30.1	-28.7	0	0	0	110.9
455	T	32.9	Very low	37.7	Very low	136 Å²	136	123.4 Å²	123.4	83%	0.834	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-65.7	133.3	176.6	-24	0	0	0	0	111.2	S453 V457	S453-T455 PolarHBondContact O-N 2.92Å; T455-V457 PolarHBondContact O-N 3.39Å
456	S	34.6	Very low	38.8	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-66.4	118.7	-176.7	48.8	0	0	0	0	112.6
457	V	38.4	Very low	40.2	Very low	106 Å²	106	125.5 Å²	125.5	64%	0.642	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-78.7	120.9	159.7	-179.6	0	0	0	0	106.4	T455 R459	T455-V457 PolarHBondContact O-N 3.39Å; V457-R459 HydrophobicContact CG1-CG 4.45Å; V457-R459 PolarHBondContact O-N 3.45Å
458	V	38.4	Very low	42	Very low	126 Å²	126	124.6 Å²	124.6	76%	0.764	73%	0.729	S	S	*	*			trans	-65.6	84.6	173.5	-179.4	0	0	0	0	108.6
459	R	33.8	Very low	44.7	Very low	217 Å²	217	117.7 Å²	117.7	82%	0.819	69%	0.694	S	S	*	*			trans	-79.3	110	164.7	-76	179.6	169.5	147.7	-4.3	107.2	V457	V457-R459 HydrophobicContact CG1-CG 4.45Å; V457-R459 PolarHBondContact O-N 3.45Å
460	R	48.2	Very low	47.3	Very low	215 Å²	215	115.2 Å²	115.2	81%	0.811	68%	0.675	S	S	*	*			trans	-74.6	154.4	163.5	-85	-176.4	-170.1	-175.8	3.8	109.5	T462	R460-T462 PolarHBondContact O-N 2.77Å
461	P	41.9	Very low	50.2	Low	112 Å²	112	112.8 Å²	112.8	73%	0.727	65%	0.651	S	S	*	*			trans	-63.2	130.6	-142	-18.6	29.1	0	0	0	113.8	V463	P461-V463 PolarHBondContact O-N 2.87Å
462	T	36.2	Very low	52.9	Low	125 Å²	125	107 Å²	107	77%	0.767	61%	0.611	S	S	*	*			trans	-65.4	108.1	161.6	40.1	0	0	0	0	109.2	R460	R460-T462 PolarHBondContact O-N 2.77Å
463	V	46.3	Very low	56	Low	54 Å²	54	102.6 Å²	102.6	33%	0.327	58%	0.579	S	S	.	*			trans	-87.8	110.4	172.6	174.2	0	0	0	0	108.2	P461 E468	P461-V463 PolarHBondContact O-N 2.87Å; V463-E468 HydrophobicContact CG1-CB 3.46Å; V463-E468 VanDerWaalsContact CG1-CB 3.46Å; V463-E468 HydrophobicContact CG1-CG 4.34Å; V463-E468 VanDerWaalsContact CG1-OE2 3.23Å; V463-E468 WeakPolarHBondContact CG1-OE2 3.31Å; V463-E468 WeakPolarHBondContact CG2-OE2 3.36Å
464	S	42	Very low	58.9	Low	123 Å²	123	97.4 Å²	97.4	86%	0.86	54%	0.543	S	S	*	.			trans	-114.2	17.2	-177	68.1	0	0	0	0	114.3
465	S	49.3	Very low	61.6	Low	50 Å²	50	93.5 Å²	93.5	35%	0.35	51%	0.511	S	S	.	.			trans	-119	137.1	175.2	71.4	0	0	0	0	110.8	E467 E468	S465-E467 PolarHBondContact O-N 2.91Å; S465-E467 VanDerWaalsContact O-N 3.09Å; S465-E468 PolarHBondContact O-N 3.22Å
466	S	56.6	Low	64.7	Low	88 Å²	88	87 Å²	87	62%	0.615	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.9	178.3	-174.2	0	0	0	0	113.5
467	E	62.3	Low	67.7	Low	181 Å²	181	82.4 Å²	82.4	85%	0.846	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-26.5	-177.7	-58.8	-155.5	151.5	0	0	113.1	S465	S465-E467 PolarHBondContact O-N 2.91Å; S465-E467 VanDerWaalsContact O-N 3.09Å
468	E	74.6	Confident	70.4	Confident	127 Å²	127	77.4 Å²	77.4	59%	0.593	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.5	-175.3	-76.5	178.3	-161	0	0	114	V463 S465	V463-E468 HydrophobicContact CG1-CB 3.46Å; V463-E468 VanDerWaalsContact CG1-CB 3.46Å; V463-E468 HydrophobicContact CG1-CG 4.34Å; V463-E468 VanDerWaalsContact CG1-OE2 3.23Å; V463-E468 WeakPolarHBondContact CG1-OE2 3.31Å; V463-E468 WeakPolarHBondContact CG2-OE2 3.36Å; S465-E468 PolarHBondContact O-N 3.22Å
469	A	86.9	Confident	73	Confident	8 Å²	8	73.9 Å²	73.9	7%	0.066	38%	0.381	C	S	.	.			trans	-132.7	71.4	-176.4	0	0	0	0	0	111.6	F471 G472 V473 P592	A469-F471 PolarHBondContact O-N 3.22Å; A469-F471 VanDerWaalsContact O-N 3.09Å; A469-G472 PolarHBondContact O-N 3.38Å; A469-V473 HydrophobicContact CB-CG2 3.66Å; A469-P592 HydrophobicContact CB-CB 3.93Å
470	P	89.5	Confident	75.8	Confident	59 Å²	59	63.9 Å²	63.9	38%	0.383	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17	-171.5	24.3	-34	0	0	0	114.9	I498	P470-I498 VanDerWaalsContact O-CG2 3.23Å; P470-I498 WeakPolarHBondContact O-CG2 3.33Å
471	F	93.3	Very high	77.9	Confident	57 Å²	57	54 Å²	54	25%	0.25	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	6.6	176.8	-60	-83.5	0	0	0	112.6	A469 I498 L571 L593 P595	A469-F471 PolarHBondContact O-N 3.22Å; A469-F471 VanDerWaalsContact O-N 3.09Å; F471-I498 HydrophobicContact CD1-CD1 4.21Å; F471-L571 VanDerWaalsContact CD1-O 3.32Å; F471-L571 WeakPolarHBondContact CD1-O 3.38Å; F471-L593 HydrophobicContact CB-CB 3.76Å; F471-L593 WeakPolarHBondContact O-CD1 3.44Å; F471-P595 HydrophobicContact CE1-CB 4.3Å; F471-P595 HydrophobicContact CE2-CB 3.81Å; F471-P595 HydrophobicContact CE2-CG 4.15Å; F471-P595 HydrophobicContact CZ-CB 3.62Å; F471-P595 HydrophobicContact CZ-CG 4.42Å
472	G	94.9	Very high	80.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.			trans	89.7	-179.8	-176.4	0	0	0	0	0	114.3	A469 K495 N496 L593	A469-G472 PolarHBondContact O-N 3.38Å; G472-K495 CarbonylContact C-O 3.51Å; G472-K495 WeakPolarHBondContact CA-O 3.44Å; G472-N496 WeakPolarHBondContact CA-O 3.35Å; G472-N496 PolarHBondContact N-O 3.15Å; G472-L593 PolarHBondContact O-N 2.84Å
473	V	97.5	Very high	82.8	Confident	17 Å²	17	52.7 Å²	52.7	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.7	-176.8	-178.8	0	0	0	0	109.4	A469 Y475 A494 K495 T590 V591	A469-V473 HydrophobicContact CB-CG2 3.66Å; V473-Y475 HydrophobicContact CB-CE2 4.13Å; V473-Y475 HydrophobicContact CG1-CD2 4.37Å; V473-Y475 HydrophobicContact CG1-CE2 3.72Å; V473-A494 CarbonylContact O-C 3.37Å; V473-A494 WeakPolarHBondContact O-CA 3.27Å; V473-K495 PolarHBondContact N-O 2.8Å; V473-K495 PolarHBondContact O-N 2.9Å; V473-T590 HydrophobicContact CG1-CG2 3.66Å; V473-V591 CarbonylContact C-O 3.57Å; V473-V591 WeakPolarHBondContact CA-O 3.05Å; V473-V591 WeakPolarHBondContact CG1-O 3.27Å
474	L	98.1	Very high	85	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.2	178.6	-174.6	66.9	0	0	0	111.2	F476 I491 A494 V510 W537 L558 V560 T590 V591 L593	L474-F476 HydrophobicContact CD2-CD1 4.12Å; L474-F476 HydrophobicContact CG-CD1 4.12Å; L474-I491 HydrophobicContact CD1-CG2 4.38Å; L474-A494 HydrophobicContact CD1-CB 4.14Å; L474-V510 HydrophobicContact CD1-CG2 4.15Å; L474-W537 HydrophobicContact CD1-CZ3 4.04Å; L474-L558 HydrophobicContact CD2-CB 4.04Å; L474-L558 HydrophobicContact CD2-CD1 3.84Å; L474-V560 HydrophobicContact CD1-CG2 4.41Å; L474-V560 HydrophobicContact CD2-CG2 4.28Å; L474-T590 WeakPolarHBondContact O-CA 3.41Å; L474-V591 HydrophobicContact CB-CG2 4.18Å; L474-V591 PolarHBondContact N-O 2.94Å; L474-V591 PolarHBondContact O-N 2.96Å; L474-L593 HydrophobicContact CB-CD1 4.45Å; L474-L593 HydrophobicContact CB-CD2 3.98Å; L474-L593 HydrophobicContact CB-CG 4.2Å; L474-L593 HydrophobicContact CD2-CD2 4.3Å
475	Y	98.2	Very high	87.4	Confident	54 Å²	54	54 Å²	54	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.2	179.2	-59.8	-106	0	0	0	109.3	V473 H492 K493 K495 F589 T590	V473-Y475 HydrophobicContact CB-CE2 4.13Å; V473-Y475 HydrophobicContact CG1-CD2 4.37Å; V473-Y475 HydrophobicContact CG1-CE2 3.72Å; Y475-H492 WeakPolarHBondContact O-CB 3.46Å; Y475-H492 PolarHBondContact O-N 2.92Å; Y475-K493 WeakPolarHBondContact CB-O 3.3Å; Y475-K493 HydrophobicContact CD2-CG 3.76Å; Y475-K493 WeakPolarHBondContact CD2-O 3.44Å; Y475-K493 HydrophobicContact CG-CG 3.91Å; Y475-K493 PolarHBondContact N-O 2.68Å; Y475-K493 PolarHBondContact O-N 3.33Å; Y475-K495 HydrophobicContact CE2-CB 4.34Å; Y475-K495 HydrophobicContact CE2-CD 4.21Å; Y475-K495 HydrophobicContact CE2-CG 3.99Å; Y475-F589 WeakPolarHBondContact CA-O 3.34Å; Y475-T590 HydrophobicContact CD1-CG2 3.85Å; Y475-T590 WeakPolarHBondContact CD1-OG1 3.47Å; Y475-T590 HydrophobicContact CE1-CG2 3.45Å; Y475-T590 VanDerWaalsContact CE1-CG2 3.45Å
476	F	97.6	Very high	89.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	163.2	-179.4	67.4	-84.3	0	0	0	112.2	L474 L478 A490 I491 H492 L558 Y574 L576 F589 V591	L474-F476 HydrophobicContact CD2-CD1 4.12Å; L474-F476 HydrophobicContact CG-CD1 4.12Å; F476-L478 HydrophobicContact CD2-CD2 4.1Å; F476-L478 HydrophobicContact CD2-CG 3.98Å; F476-L478 HydrophobicContact CE2-CD1 3.91Å; F476-L478 HydrophobicContact CE2-CD2 4.24Å; F476-L478 HydrophobicContact CE2-CG 3.83Å; F476-A490 CarbonylContact C-O 3.59Å; F476-A490 WeakPolarHBondContact CA-O 3.49Å; F476-A490 WeakPolarHBondContact CB-O 3.44Å; F476-I491 HydrophobicContact CB-CD1 3.87Å; F476-H492 VanDerWaalsContact CA-CD2 3.46Å; F476-H492 WeakPolarHBondContact CA-CD2 3.34Å; F476-L558 HydrophobicContact CD1-CD1 3.64Å; F476-L558 HydrophobicContact CD2-CD1 3.97Å; F476-L558 HydrophobicContact CE1-CD1 3.39Å; F476-L558 HydrophobicContact CE2-CD1 3.75Å; F476-L558 HydrophobicContact CG-CD1 3.92Å; F476-L558 HydrophobicContact CZ-CD1 3.45Å; F476-L558 VanDerWaalsContact CZ-CD1 3.45Å; F476-Y574 HydrophobicContact CE1-CD1 4.26Å; F476-Y574 HydrophobicContact CE1-CE1 4.47Å; F476-Y574 HydrophobicContact CZ-CD1 4.17Å; F476-Y574 HydrophobicContact CZ-CE1 4.13Å; F476-L576 HydrophobicContact CE2-CD2 4.36Å; F476-L576 HydrophobicContact CZ-CD2 4.5Å; F476-F589 HydrophobicContact CD1-CB 3.82Å; F476-F589 HydrophobicContact CD2-CB 4.03Å; F476-F589 AromaticContact CD2-CD2 3.86Å; F476-F589 HydrophobicContact CD2-CD2 3.86Å; F476-F589 HydrophobicContact CD2-CG 4.23Å; F476-F589 HydrophobicContact CE1-CB 3.41Å; F476-F589 VanDerWaalsContact CE1-CB 3.41Å; F476-F589 HydrophobicContact CE1-CG 4.09Å; F476-F589 HydrophobicContact CE2-CB 3.65Å; F476-F589 HydrophobicContact CE2-CD1 4.37Å; F476-F589 AromaticContact CE2-CD2 3.33Å; F476-F589 HydrophobicContact CE2-CD2 3.33Å; F476-F589 HydrophobicContact CE2-CE2 4.06Å; F476-F589 AromaticContact CE2-CG 3.52Å; F476-F589 HydrophobicContact CE2-CG 3.52Å; F476-F589 HydrophobicContact CG-CB 4.11Å; F476-F589 HydrophobicContact CZ-CB 3.32Å; F476-F589 HydrophobicContact CZ-CD1 4.04Å; F476-F589 AromaticContact CZ-CD2 3.8Å; F476-F589 HydrophobicContact CZ-CD2 3.8Å; F476-F589 AromaticContact CZ-CG 3.45Å; F476-F589 HydrophobicContact CZ-CG 3.45Å; F476-F589 VanDerWaalsContact CZ-CG 3.45Å; F476-F589 PolarHBondContact N-O 3.5Å; F476-F589 VanDerWaalsContact N-O 3.09Å; F476-F589 PolarHBondContact O-N 3.49Å; F476-V591 HydrophobicContact CE1-CG1 4.28Å; F476-V591 HydrophobicContact CE1-CG2 3.75Å
477	T	96.9	Very high	91.2	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.8	176.3	-59.7	0	0	0	0	110.2	A490 H492 L586 T587 D588	T477-A490 PolarHBondContact N-O 3.07Å; T477-A490 PolarHBondContact O-N 2.87Å; T477-H492 PolarHBondContact N-NE2 2.86Å; T477-H492 PolarHBondContact OG1-NE2 3.25Å; T477-L586 HydrophobicContact CG2-CB 4.3Å; T477-L586 HydrophobicContact CG2-CD2 3.57Å; T477-T587 CarbonylContact C-O 3.48Å; T477-T587 WeakPolarHBondContact CA-O 3.49Å; T477-D588 WeakPolarHBondContact CB-OD1 3.46Å; T477-D588 WeakPolarHBondContact CG2-OD1 3.41Å; T477-D588 PolarHBondContact OG1-OD1 2.85Å
478	L	95.7	Very high	92.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.3	176.1	-62.7	-176.4	0	0	0	111.7	F476 H488 V489 L556 L576 L578 L581 L586 T587 F589	F476-L478 HydrophobicContact CD2-CD2 4.1Å; F476-L478 HydrophobicContact CD2-CG 3.98Å; F476-L478 HydrophobicContact CE2-CD1 3.91Å; F476-L478 HydrophobicContact CE2-CD2 4.24Å; F476-L478 HydrophobicContact CE2-CG 3.83Å; L478-H488 WeakPolarHBondContact CA-O 3.46Å; L478-V489 HydrophobicContact CD2-CB 3.85Å; L478-V489 HydrophobicContact CD2-CG1 3.68Å; L478-V489 HydrophobicContact CD2-CG2 3.58Å; L478-L556 HydrophobicContact CD1-CD2 3.87Å; L478-L556 HydrophobicContact CD2-CD2 3.72Å; L478-L556 HydrophobicContact CG-CD2 4.48Å; L478-L576 HydrophobicContact CD1-CD2 3.27Å; L478-L578 HydrophobicContact CD1-CD2 4.48Å; L478-L581 HydrophobicContact CB-CD1 4.15Å; L478-L581 HydrophobicContact CB-CD2 3.88Å; L478-L581 HydrophobicContact CD1-CD1 3.99Å; L478-L581 HydrophobicContact CD1-CD2 3.93Å; L478-L581 HydrophobicContact CD1-CG 4.41Å; L478-L586 WeakPolarHBondContact O-CA 3.41Å; L478-T587 PolarHBondContact N-O 2.8Å; L478-T587 PolarHBondContact O-N 2.75Å; L478-F589 HydrophobicContact CB-CE2 4.08Å; L478-F589 HydrophobicContact CD1-CD2 4.4Å; L478-F589 HydrophobicContact CD1-CE2 3.79Å; L478-F589 HydrophobicContact CD1-CZ 4.35Å; L478-F589 HydrophobicContact CG-CD2 4.22Å; L478-F589 HydrophobicContact CG-CE2 3.86Å
479	Y	93.8	Very high	93.8	Very high	52 Å²	52	33.7 Å²	33.7	20%	0.204	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	116.7	171.4	178.4	-117.5	0	0	0	109.9	D481 H488 N584 L586	Y479-D481 HydrophobicContact CD1-CB 4.18Å; Y479-D481 HydrophobicContact CE1-CB 3.64Å; Y479-H488 AromaticContact CD1-CD2 3.52Å; Y479-H488 PolarHBondContact N-O 2.87Å; Y479-H488 PolarHBondContact O-N 3.41Å; Y479-N584 VanDerWaalsContact CE2-C 3.47Å; Y479-N584 HydrophobicContact CE2-CB 4.46Å; Y479-L586 HydrophobicContact CD2-CD2 4.37Å; Y479-L586 HydrophobicContact CD2-CG 4.19Å; Y479-L586 HydrophobicContact CG-CD2 4.24Å
480	H	92.5	Very high	94.3	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	103.3	173.1	175.5	-152.9	0	0	0	108.7	T482 L487 F546 N584	H480-T482 PolarHBondContact O-N 3.33Å; H480-L487 HydrophobicContact CB-CD1 4.15Å; H480-F546 AromaticContact CD2-CD1 3.54Å; H480-F546 AromaticContact CD2-CE1 3.64Å; H480-F546 AromaticContact NE2-CD1 3.52Å; H480-F546 AromaticContact NE2-CE1 3.53Å; H480-N584 WeakPolarHBondContact O-CA 3.41Å; H480-N584 PolarHBondContact O-N 3.48Å; H480-N584 PolarHBondContact O-OD1 3.15Å
481	D	92.1	Very high	94.7	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	97.6	174.2	-172.7	-21.3	0	0	0	109.1	Y479 L483 N484 K485 Q486	Y479-D481 HydrophobicContact CD1-CB 4.18Å; Y479-D481 HydrophobicContact CE1-CB 3.64Å; D481-L483 VanDerWaalsContact C-N 3.26Å; D481-L483 PolarHBondContact O-N 2.87Å; D481-L483 WeakPolarHBondContact OD1-CB 3.09Å; D481-L483 PolarHBondContact OD1-N 2.87Å; D481-N484 PolarHBondContact OD1-N 2.97Å; D481-N484 PolarHBondContact OD2-ND2 3.07Å; D481-K485 WeakPolarHBondContact O-CA 3.14Å; D481-K485 PolarHBondContact O-N 3.12Å; D481-Q486 HydrophobicContact CB-CB 4.32Å; D481-Q486 PolarHBondContact N-O 3.19Å; D481-Q486 PolarHBondContact O-N 2.99Å
482	T	90.1	Very high	94.9	Very high	61 Å²	61	29.5 Å²	29.5	37%	0.374	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.6	-180	53	0	0	0	0	113.3	H480 P583 N584	H480-T482 PolarHBondContact O-N 3.33Å; T482-P583 HydrophobicContact CG2-CB 3.64Å; T482-N584 PolarHBondContact N-OD1 2.96Å; T482-N584 VanDerWaalsContact N-OD1 3.09Å; T482-N584 VanDerWaalsContact OG1-CG 3.24Å; T482-N584 PolarHBondContact OG1-ND2 2.89Å; T482-N584 PolarHBondContact OG1-OD1 2.76Å
483	L	91.6	Very high	95	Very high	149 Å²	149	33.2 Å²	33.2	78%	0.78	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-49.7	-177.6	-178.5	69.3	0	0	0	110	D481 K485	D481-L483 VanDerWaalsContact C-N 3.26Å; D481-L483 PolarHBondContact O-N 2.87Å; D481-L483 WeakPolarHBondContact OD1-CB 3.09Å; D481-L483 PolarHBondContact OD1-N 2.87Å; L483-K485 VanDerWaalsContact C-N 3.31Å
484	N	91.7	Very high	95	Very high	84 Å²	84	32.5 Å²	32.5	45%	0.449	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.5	179.9	-64.5	-51.2	0	0	0	113.2	D481 Q486	D481-N484 PolarHBondContact OD1-N 2.97Å; D481-N484 PolarHBondContact OD2-ND2 3.07Å; N484-Q486 HydrophobicContact CB-CG 4.25Å
485	K	91.7	Very high	95	Very high	120 Å²	120	36.7 Å²	36.7	52%	0.522	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	51.8	-175.1	-55.8	175.1	-176.5	171.1	0	110.7	D481 L483 F546 D547	D481-K485 WeakPolarHBondContact O-CA 3.14Å; D481-K485 PolarHBondContact O-N 3.12Å; L483-K485 VanDerWaalsContact C-N 3.31Å; K485-F546 CarbonylContact C-O 3.41Å; K485-F546 WeakPolarHBondContact CA-O 3.4Å; K485-F546 CarbonylContact O-C 3.58Å; K485-F546 WeakPolarHBondContact O-CA 3.32Å; K485-F546 PolarHBondContact O-N 3.29Å; K485-D547 HydrophobicContact CD-CB 4.42Å
486	Q	92.8	Very high	94.9	Very high	21 Å²	21	38.2 Å²	38.2	10%	0.098	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.6	-178.4	-74.4	173.7	-10.3	0	0	110.2	D481 N484 H488 T542 F543 E544	D481-Q486 HydrophobicContact CB-CB 4.32Å; D481-Q486 PolarHBondContact N-O 3.19Å; D481-Q486 PolarHBondContact O-N 2.99Å; N484-Q486 HydrophobicContact CB-CG 4.25Å; Q486-H488 PolarHBondContact OE1-CE1 2.84Å; Q486-H488 PolarHBondContact OE1-NE2 2.73Å; Q486-T542 HydrophobicContact CB-CG2 3.9Å; Q486-T542 HydrophobicContact CG-CG2 3.94Å; Q486-F543 WeakPolarHBondContact CA-O 3.28Å; Q486-E544 HydrophobicContact CG-CB 4.17Å; Q486-E544 HydrophobicContact CG-CG 4.1Å; Q486-E544 PolarHBondContact NE2-OE2 3.4Å
487	L	93.5	Very high	94.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.5	166.7	176.9	68	0	0	0	108.2	H480 V489 T542 F543 F546 L578 L581	H480-L487 HydrophobicContact CB-CD1 4.15Å; L487-V489 HydrophobicContact CG-CG2 4.49Å; L487-T542 WeakPolarHBondContact O-CA 3.42Å; L487-F543 HydrophobicContact CB-CB 4.29Å; L487-F543 HydrophobicContact CB-CD2 4.47Å; L487-F543 HydrophobicContact CD2-CD2 4.2Å; L487-F543 HydrophobicContact CG-CD2 4.46Å; L487-F543 PolarHBondContact N-O 3.3Å; L487-F543 VanDerWaalsContact N-O 3.14Å; L487-F543 PolarHBondContact O-N 3.17Å; L487-F546 HydrophobicContact CB-CB 4.01Å; L487-F546 HydrophobicContact CB-CD1 3.79Å; L487-F546 HydrophobicContact CB-CD2 4.12Å; L487-F546 HydrophobicContact CB-CE1 4.29Å; L487-F546 HydrophobicContact CB-CG 3.71Å; L487-F546 HydrophobicContact CD2-CD2 4.29Å; L487-F546 HydrophobicContact CD2-CE2 4.06Å; L487-F546 HydrophobicContact CD2-CZ 4.23Å; L487-L578 HydrophobicContact CD2-CD1 3.86Å; L487-L578 HydrophobicContact CD2-CD2 4.39Å; L487-L581 HydrophobicContact CD1-CD1 3.97Å
488	H	94.8	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.3	176.7	-54.1	-80.9	0	0	0	110.4	T418 L422 L478 Y479 Q486 L541 T542	T418-H488 PolarHBondContact OG1-CE1 3.27Å; T418-H488 PolarHBondContact OG1-NE2 3.12Å; L422-H488 HydrophobicContact CD1-CB 3.72Å; L478-H488 WeakPolarHBondContact CA-O 3.46Å; Y479-H488 AromaticContact CD1-CD2 3.52Å; Y479-H488 PolarHBondContact N-O 2.87Å; Y479-H488 PolarHBondContact O-N 3.41Å; Q486-H488 PolarHBondContact OE1-CE1 2.84Å; Q486-H488 PolarHBondContact OE1-NE2 2.73Å; H488-L541 CarbonylContact C-O 3.49Å; H488-L541 WeakPolarHBondContact CA-O 3.3Å; H488-T542 PolarHBondContact ND1-OG1 3.18Å
489	V	96.3	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	102.7	178.6	-173.3	0	0	0	0	108.3	L478 L487 I491 L541 F543 L556 L558	L478-V489 HydrophobicContact CD2-CB 3.85Å; L478-V489 HydrophobicContact CD2-CG1 3.68Å; L478-V489 HydrophobicContact CD2-CG2 3.58Å; L487-V489 HydrophobicContact CG-CG2 4.49Å; V489-I491 HydrophobicContact CG1-CD1 3.65Å; V489-I491 HydrophobicContact CG1-CG1 4.3Å; V489-L541 HydrophobicContact CB-CB 4.43Å; V489-L541 PolarHBondContact N-O 2.94Å; V489-L541 PolarHBondContact O-N 3.37Å; V489-F543 HydrophobicContact CG2-CD2 4.12Å; V489-F543 HydrophobicContact CG2-CE2 3.85Å; V489-L556 HydrophobicContact CG1-CD2 4.37Å; V489-L556 HydrophobicContact CG2-CD2 3.99Å; V489-L558 HydrophobicContact CG1-CD2 4.19Å
490	A	97.2	Very high	94.1	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110.3	174.8	0	0	0	0	0	110.3	F426 F476 T477 E539	F426-A490 HydrophobicContact CE1-CB 4.35Å; F426-A490 HydrophobicContact CE2-CB 3.97Å; F426-A490 HydrophobicContact CZ-CB 3.39Å; F476-A490 CarbonylContact C-O 3.59Å; F476-A490 WeakPolarHBondContact CA-O 3.49Å; F476-A490 WeakPolarHBondContact CB-O 3.44Å; T477-A490 PolarHBondContact N-O 3.07Å; T477-A490 PolarHBondContact O-N 2.87Å; A490-E539 CarbonylContact C-O 3.53Å; A490-E539 WeakPolarHBondContact CA-O 3.32Å
491	I	97.9	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.5	175.9	-54.3	-59.7	0	0	0	108.6	L474 F476 V489 V510 T526 W537 N538 E539 L541 L558	L474-I491 HydrophobicContact CD1-CG2 4.38Å; F476-I491 HydrophobicContact CB-CD1 3.87Å; V489-I491 HydrophobicContact CG1-CD1 3.65Å; V489-I491 HydrophobicContact CG1-CG1 4.3Å; I491-V510 HydrophobicContact CD1-CG1 4.21Å; I491-V510 HydrophobicContact CG1-CG1 4.5Å; I491-V510 HydrophobicContact CG2-CB 4.28Å; I491-V510 HydrophobicContact CG2-CG2 3.88Å; I491-T526 HydrophobicContact CB-CG2 3.77Å; I491-T526 HydrophobicContact CG1-CG2 3.84Å; I491-T526 HydrophobicContact CG2-CG2 3.94Å; I491-W537 HydrophobicContact CG2-CB 4.48Å; I491-W537 HydrophobicContact CG2-CD2 4.13Å; I491-W537 HydrophobicContact CG2-CE3 3.58Å; I491-W537 HydrophobicContact CG2-CZ3 4.08Å; I491-N538 VanDerWaalsContact O-CA 3.32Å; I491-N538 WeakPolarHBondContact O-CA 3.12Å; I491-N538 PolarHBondContact O-N 3.24Å; I491-E539 PolarHBondContact N-O 3.47Å; I491-E539 PolarHBondContact O-N 3.43Å; I491-L541 HydrophobicContact CG1-CD1 4.27Å; I491-L558 HydrophobicContact CD1-CD2 4.17Å
492	H	97.2	Very high	93.2	Very high	34 Å²	34	47.6 Å²	47.6	16%	0.157	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-66.6	-175.2	-54.8	-55	0	0	0	111.1	F426 Y475 F476 T477 W537 N538	F426-H492 AromaticContact CD1-CE1 3.91Å; F426-H492 AromaticContact CD1-ND1 3.88Å; F426-H492 AromaticContact CE1-CE1 3.29Å; F426-H492 WeakPolarHBondContact CE1-CE1 3.38Å; F426-H492 AromaticContact CE1-ND1 3.65Å; F426-H492 AromaticContact CZ-CE1 3.63Å; F426-H492 AromaticContact CZ-ND1 3.94Å; Y475-H492 WeakPolarHBondContact O-CB 3.46Å; Y475-H492 PolarHBondContact O-N 2.92Å; F476-H492 VanDerWaalsContact CA-CD2 3.46Å; F476-H492 WeakPolarHBondContact CA-CD2 3.34Å; T477-H492 PolarHBondContact N-NE2 2.86Å; T477-H492 PolarHBondContact OG1-NE2 3.25Å; H492-W537 PolarHBondContact O-N 3.39Å; H492-N538 PolarHBondContact O-N 3.36Å; H492-N538 PolarHBondContact O-OD1 3.03Å
493	K	98.1	Very high	92.9	Very high	78 Å²	78	48.4 Å²	48.4	34%	0.339	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	165.9	-173	62.5	-174.1	176.5	-165.6	0	111.5	Y475 P535 V536	Y475-K493 WeakPolarHBondContact CB-O 3.3Å; Y475-K493 HydrophobicContact CD2-CG 3.76Å; Y475-K493 WeakPolarHBondContact CD2-O 3.44Å; Y475-K493 HydrophobicContact CG-CG 3.91Å; Y475-K493 PolarHBondContact N-O 2.68Å; Y475-K493 PolarHBondContact O-N 3.33Å; K493-P535 CarbonylContact C-O 3.49Å; K493-P535 WeakPolarHBondContact CA-O 3.47Å; K493-P535 WeakPolarHBondContact CB-O 3.38Å; K493-V536 HydrophobicContact CB-CB 4.42Å; K493-V536 HydrophobicContact CB-CG2 4.02Å
494	A	98.1	Very high	92.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	160.7	163.1	0	0	0	0	0	110.3	V473 L474 L497 N534 P535 W537	V473-A494 CarbonylContact O-C 3.37Å; V473-A494 WeakPolarHBondContact O-CA 3.27Å; L474-A494 HydrophobicContact CD1-CB 4.14Å; A494-L497 HydrophobicContact CB-CD1 3.93Å; A494-L497 HydrophobicContact CB-CD2 3.93Å; A494-L497 HydrophobicContact CB-CG 3.96Å; A494-N534 CarbonylContact O-C 3.58Å; A494-N534 VanDerWaalsContact O-CA 3.28Å; A494-N534 WeakPolarHBondContact O-CA 3.19Å; A494-P535 HydrophobicContact CB-CG 3.92Å; A494-P535 PolarHBondContact N-O 3.37Å; A494-W537 HydrophobicContact CB-CH2 3.93Å; A494-W537 HydrophobicContact CB-CZ3 3.77Å
495	K	97.2	Very high	92.7	Very high	88 Å²	88	42.2 Å²	42.2	38%	0.383	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.4	174.3	-69.3	-170	174.7	-170.6	0	111.3	G472 V473 Y475 L497 N534	G472-K495 CarbonylContact C-O 3.51Å; G472-K495 WeakPolarHBondContact CA-O 3.44Å; V473-K495 PolarHBondContact N-O 2.8Å; V473-K495 PolarHBondContact O-N 2.9Å; Y475-K495 HydrophobicContact CE2-CB 4.34Å; Y475-K495 HydrophobicContact CE2-CD 4.21Å; Y475-K495 HydrophobicContact CE2-CG 3.99Å; K495-L497 VanDerWaalsContact C-N 3.28Å; K495-L497 PolarHBondContact O-N 2.99Å; K495-N534 VanDerWaalsContact CA-OD1 3.23Å; K495-N534 WeakPolarHBondContact CA-OD1 3.49Å
496	N	95.2	Very high	92.8	Very high	86 Å²	86	36.5 Å²	36.5	46%	0.46	21%	0.214	S	C	.	.	S	Bend	trans	53.7	42.6	174.6	-58.6	-5.4	0	0	0	112.9	G472 L533 N534	G472-N496 WeakPolarHBondContact CA-O 3.35Å; G472-N496 PolarHBondContact N-O 3.15Å; N496-L533 PolarHBondContact N-O 3.02Å; N496-N534 PolarHBondContact N-OD1 3.16Å
497	L	95.7	Very high	92.9	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-64.2	155.5	170.7	-62.6	179.2	0	0	0	110.1	A494 K495 P508 L533 P535 V560 L571 L593	A494-L497 HydrophobicContact CB-CD1 3.93Å; A494-L497 HydrophobicContact CB-CD2 3.93Å; A494-L497 HydrophobicContact CB-CG 3.96Å; K495-L497 VanDerWaalsContact C-N 3.28Å; K495-L497 PolarHBondContact O-N 2.99Å; L497-P508 HydrophobicContact CD1-CB 3.55Å; L497-P508 HydrophobicContact CD1-CG 3.96Å; L497-L533 WeakPolarHBondContact CB-O 3.37Å; L497-L533 PolarHBondContact N-O 3.18Å; L497-L533 WeakPolarHBondContact O-CD2 3.33Å; L497-P535 HydrophobicContact CD1-CG 3.7Å; L497-V560 HydrophobicContact CD1-CG1 4.07Å; L497-V560 HydrophobicContact CD2-CG1 4.15Å; L497-L571 HydrophobicContact CD1-CD1 4.21Å; L497-L593 HydrophobicContact CD2-CD1 3.61Å
498	I	91.8	Very high	93	Very high	34 Å²	34	37.2 Å²	37.2	17%	0.174	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-73.2	146.3	174.8	60.7	-179.7	0	0	0	110.4	P470 F471 M500 S506 L571	P470-I498 VanDerWaalsContact O-CG2 3.23Å; P470-I498 WeakPolarHBondContact O-CG2 3.33Å; F471-I498 HydrophobicContact CD1-CD1 4.21Å; I498-M500 HydrophobicContact CB-CE 4.08Å; I498-M500 HydrophobicContact CD1-CE 3.49Å; I498-M500 VanDerWaalsContact CD1-CE 3.49Å; I498-M500 HydrophobicContact CD1-CG 4.33Å; I498-M500 HydrophobicContact CD1-SD 3.8Å; I498-M500 HydrophobicContact CG1-CE 3.73Å; I498-M500 HydrophobicContact CG1-CG 4.18Å; I498-M500 HydrophobicContact CG1-SD 4.23Å; I498-S506 PolarHBondContact O-OG 3.22Å; I498-L571 HydrophobicContact CD1-CD2 4.28Å; I498-L571 HydrophobicContact CG1-CB 4.45Å; I498-L571 HydrophobicContact CG1-CD2 3.53Å; I498-L571 VanDerWaalsContact O-CD2 3.31Å; I498-L571 WeakPolarHBondContact O-CD2 3.38Å
499	A	91.4	Very high	93.1	Very high	43 Å²	43	37.7 Å²	37.7	36%	0.355	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-82.7	116	171.5	0	0	0	0	0	110.3	G504 L505 S506 L533	A499-G504 WeakPolarHBondContact CB-O 3.36Å; A499-L505 CarbonylContact C-O 3.56Å; A499-L505 WeakPolarHBondContact CA-O 3.43Å; A499-S506 WeakPolarHBondContact CA-OG 3.41Å; A499-L533 HydrophobicContact CB-CD1 4.38Å; A499-L533 HydrophobicContact CB-CD2 4.22Å
500	M	89.3	Confident	93.2	Very high	69 Å²	69	37.7 Å²	37.7	34%	0.34	22%	0.22	S	C	.	.			trans	-103	-24	179.9	-71.4	-64.2	86.5	0	0	113.1	I498 L505 S506 D562 L571 K721	I498-M500 HydrophobicContact CB-CE 4.08Å; I498-M500 HydrophobicContact CD1-CE 3.49Å; I498-M500 VanDerWaalsContact CD1-CE 3.49Å; I498-M500 HydrophobicContact CD1-CG 4.33Å; I498-M500 HydrophobicContact CD1-SD 3.8Å; I498-M500 HydrophobicContact CG1-CE 3.73Å; I498-M500 HydrophobicContact CG1-CG 4.18Å; I498-M500 HydrophobicContact CG1-SD 4.23Å; M500-L505 PolarHBondContact N-O 3.48Å; M500-L505 VanDerWaalsContact N-O 3.12Å; M500-S506 PolarHBondContact N-OG 3.44Å; M500-D562 HydrophobicContact CB-CB 4.15Å; M500-D562 WeakPolarHBondContact CB-OD2 3.37Å; M500-D562 HydrophobicContact CG-CB 4.35Å; M500-L571 HydrophobicContact CB-CD2 4.21Å; M500-L571 HydrophobicContact CG-CD2 3.29Å; M500-L571 HydrophobicContact CG-CG 4.47Å; M500-K721 VanDerWaalsContact O-CE 3.27Å; M500-K721 WeakPolarHBondContact O-CE 3.48Å
501	D	85.7	Confident	93.1	Very high	28 Å²	28	38 Å²	38	15%	0.15	22%	0.222	C	C	.	.	S	Bend	trans	-86.3	155.2	-179.8	-72.7	-31.4	0	0	0	113	N503 G504 L505 K721	D501-N503 WeakPolarHBondContact CB-OD1 3.47Å; D501-N503 PolarHBondContact O-N 3.02Å; D501-G504 PolarHBondContact O-N 2.91Å; D501-L505 WeakPolarHBondContact CB-O 3.11Å; D501-L505 PolarHBondContact N-O 3.45Å; D501-K721 WeakPolarHBondContact OD1-CE 3.49Å; D501-K721 IonicContact OD1-NZ 3.7Å; D501-K721 PolarHBondContact OD1-NZ 3.24Å; D501-K721 VanDerWaalsContact OD1-NZ 3.12Å
502	A	79.7	Confident	92.9	Very high	96 Å²	96	38 Å²	38	79%	0.793	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.7	178.6	0	0	0	0	0	113.8	G504	A502-G504 VanDerWaalsContact C-N 3.26Å
503	N	84.1	Confident	92.7	Very high	78 Å²	78	36.5 Å²	36.5	42%	0.417	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.9	174.4	63.2	9.7	0	0	0	113.2	D501 L505	D501-N503 WeakPolarHBondContact CB-OD1 3.47Å; D501-N503 PolarHBondContact O-N 3.02Å; N503-L505 WeakPolarHBondContact OD1-CA 3.47Å; N503-L505 WeakPolarHBondContact OD1-CB 3.12Å; N503-L505 PolarHBondContact OD1-N 3.45Å
504	G	87.2	Confident	92.4	Very high	44 Å²	44	33.7 Å²	33.7	45%	0.454	20%	0.203	S	C	.	.	S	Bend	trans	80.4	14.9	-176.4	0	0	0	0	0	114.2	A499 D501 A502	A499-G504 WeakPolarHBondContact CB-O 3.36Å; D501-G504 PolarHBondContact O-N 2.91Å; A502-G504 VanDerWaalsContact C-N 3.26Å
505	L	92.8	Very high	92	Very high	59 Å²	59	34.7 Å²	34.7	31%	0.309	21%	0.208	S	C	.	.			trans	-128	-167.1	176.9	-61.1	168.2	0	0	0	109.4	A499 M500 D501 N503 Q531 L533	A499-L505 CarbonylContact C-O 3.56Å; A499-L505 WeakPolarHBondContact CA-O 3.43Å; M500-L505 PolarHBondContact N-O 3.48Å; M500-L505 VanDerWaalsContact N-O 3.12Å; D501-L505 WeakPolarHBondContact CB-O 3.11Å; D501-L505 PolarHBondContact N-O 3.45Å; N503-L505 WeakPolarHBondContact OD1-CA 3.47Å; N503-L505 WeakPolarHBondContact OD1-CB 3.12Å; N503-L505 PolarHBondContact OD1-N 3.45Å; L505-Q531 HydrophobicContact CB-CB 4.47Å; L505-Q531 HydrophobicContact CD1-CB 3.87Å; L505-Q531 WeakPolarHBondContact CD1-O 3.4Å; L505-L533 HydrophobicContact CD2-CD1 4.4Å; L505-L533 HydrophobicContact CD2-CG 4.07Å
506	S	93.4	Very high	91.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.221	C	C	.	.			trans	-146.7	163	174.4	-61.2	0	0	0	0	108.7	I498 A499 M500 P508 Q531 C532 D562	I498-S506 PolarHBondContact O-OG 3.22Å; A499-S506 WeakPolarHBondContact CA-OG 3.41Å; M500-S506 PolarHBondContact N-OG 3.44Å; S506-P508 WeakPolarHBondContact O-CD 3.23Å; S506-Q531 CarbonylContact O-C 3.51Å; S506-Q531 VanDerWaalsContact O-CA 3.27Å; S506-Q531 WeakPolarHBondContact O-CA 3.48Å; S506-Q531 PolarHBondContact O-N 3.44Å; S506-Q531 VanDerWaalsContact O-N 3.1Å; S506-C532 PolarHBondContact O-N 3.23Å; S506-D562 VanDerWaalsContact CA-OD1 3.3Å; S506-D562 WeakPolarHBondContact CA-OD1 3.49Å; S506-D562 VanDerWaalsContact CB-OD1 3.29Å; S506-D562 WeakPolarHBondContact CB-OD1 3.48Å
507	D	94.1	Very high	90.8	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.193	22%	0.215	C	C	.	.			trans	-107.3	69.5	171.7	-65.9	-28.5	0	0	0	109.9	T528 R529 P530 Q531 D562 E563	D507-T528 HydrophobicContact CB-CG2 3.86Å; D507-T528 WeakPolarHBondContact O-CG2 3.41Å; D507-R529 CarbonylContact C-O 3.58Å; D507-R529 WeakPolarHBondContact CA-O 3.13Å; D507-P530 WeakPolarHBondContact OD1-CA 3.44Å; D507-Q531 PolarHBondContact OD1-N 3.12Å; D507-D562 PolarHBondContact N-OD1 3.07Å; D507-E563 HydrophobicContact CB-CB 4.18Å; D507-E563 PolarHBondContact O-N 2.77Å
508	P	96.8	Very high	89.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	142.9	-168.5	28.6	-41	0	0	0	115.2	L497 S506 R529 C532 P535 W537 L561 L571	L497-P508 HydrophobicContact CD1-CB 3.55Å; L497-P508 HydrophobicContact CD1-CG 3.96Å; S506-P508 WeakPolarHBondContact O-CD 3.23Å; P508-R529 WeakPolarHBondContact CD-O 3.41Å; P508-R529 HydrophobicContact CG-CB 4.45Å; P508-R529 PolarHBondContact O-N 3.32Å; P508-C532 VanDerWaalsContact CD-O 3.24Å; P508-C532 WeakPolarHBondContact CD-O 3.17Å; P508-C532 WeakPolarHBondContact CG-O 3.48Å; P508-P535 HydrophobicContact CB-CB 4.49Å; P508-P535 HydrophobicContact CB-CG 4.01Å; P508-P535 HydrophobicContact CG-CB 3.71Å; P508-P535 HydrophobicContact CG-CG 3.55Å; P508-W537 HydrophobicContact CB-CH2 4.47Å; P508-W537 HydrophobicContact CB-CZ2 3.97Å; P508-W537 HydrophobicContact CG-CZ2 4.43Å; P508-W537 PolarHBondContact O-NE1 2.92Å; P508-L561 CarbonylContact C-O 3.57Å; P508-L561 VanDerWaalsContact CA-O 3.28Å; P508-L561 WeakPolarHBondContact CA-O 3.09Å; P508-L571 HydrophobicContact CB-CD1 3.76Å
509	Y	96.8	Very high	88.5	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163.3	165.5	69.3	-82.3	0	0	0	111.1	V511 R525 V560 L561 E563 S568	Y509-V511 HydrophobicContact CD2-CG2 3.84Å; Y509-V511 HydrophobicContact CE2-CG2 3.35Å; Y509-R525 HydrophobicContact CD2-CB 4.35Å; Y509-R525 VanDerWaalsContact CD2-NH2 3.27Å; Y509-V560 WeakPolarHBondContact O-CA 3.4Å; Y509-L561 HydrophobicContact CD1-CB 4.09Å; Y509-L561 WeakPolarHBondContact CD1-O 3.27Å; Y509-L561 HydrophobicContact CD2-CB 4.48Å; Y509-L561 HydrophobicContact CE1-CB 3.52Å; Y509-L561 HydrophobicContact CE2-CB 3.99Å; Y509-L561 HydrophobicContact CE2-CD1 3.84Å; Y509-L561 HydrophobicContact CE2-CG 4.44Å; Y509-L561 VanDerWaalsContact CZ-CB 3.48Å; Y509-L561 PolarHBondContact N-O 3.29Å; Y509-L561 PolarHBondContact O-N 3.43Å; Y509-L561 WeakPolarHBondContact OH-CD1 3.28Å; Y509-E563 HydrophobicContact CD1-CB 3.86Å; Y509-E563 HydrophobicContact CE1-CB 3.75Å; Y509-E563 HydrophobicContact CE1-CG 4.36Å; Y509-S568 VanDerWaalsContact OH-CB 3.25Å; Y509-S568 WeakPolarHBondContact OH-CB 3.13Å; Y509-S568 PolarHBondContact OH-OG 2.91Å
510	V	97.1	Very high	87	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127	-179.8	-172	0	0	0	0	110.6	L474 I491 R525 T526 W537 L558 A559 V560	L474-V510 HydrophobicContact CD1-CG2 4.15Å; I491-V510 HydrophobicContact CD1-CG1 4.21Å; I491-V510 HydrophobicContact CG1-CG1 4.5Å; I491-V510 HydrophobicContact CG2-CB 4.28Å; I491-V510 HydrophobicContact CG2-CG2 3.88Å; V510-R525 CarbonylContact O-C 3.59Å; V510-R525 WeakPolarHBondContact O-CA 3.18Å; V510-R525 WeakPolarHBondContact O-CB 3.41Å; V510-T526 HydrophobicContact CB-CG2 4.09Å; V510-T526 PolarHBondContact N-OG1 2.84Å; V510-T526 PolarHBondContact O-N 3.48Å; V510-W537 HydrophobicContact CG2-CE3 4.34Å; V510-W537 HydrophobicContact CG2-CH2 3.55Å; V510-W537 HydrophobicContact CG2-CZ2 3.83Å; V510-W537 HydrophobicContact CG2-CZ3 3.84Å; V510-L558 HydrophobicContact CG1-CB 4.38Å; V510-A559 CarbonylContact C-O 3.07Å; V510-A559 WeakPolarHBondContact CA-O 3.34Å; V510-V560 HydrophobicContact CG2-CG2 4.14Å
511	V	95.2	Very high	86.2	Confident	9 Å²	9	45.3 Å²	45.3	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.3	170	-176.3	0	0	0	0	109.4	Y509 R525 A559 L561 L606	Y509-V511 HydrophobicContact CD2-CG2 3.84Å; Y509-V511 HydrophobicContact CE2-CG2 3.35Å; V511-R525 HydrophobicContact CG2-CB 4.05Å; V511-A559 HydrophobicContact CB-CB 4.35Å; V511-A559 PolarHBondContact N-O 2.83Å; V511-A559 PolarHBondContact O-N 2.78Å; V511-L561 HydrophobicContact CG2-CD1 3.72Å; V511-L606 HydrophobicContact CG1-CD1 4.21Å; V511-L606 HydrophobicContact CG1-CD2 4.29Å
512	C	94.9	Very high	86	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.1	174.2	-60.7	0	0	0	0	109.5	T523 P524 L541 F543 L556 R557 L558	C512-T523 CarbonylContact O-C 3.56Å; C512-T523 WeakPolarHBondContact O-CA 3.24Å; C512-P524 HydrophobicContact CB-CG 4.21Å; C512-P524 PolarHBondContact N-O 3.18Å; C512-P524 WeakPolarHBondContact O-CD 3.34Å; C512-L541 HydrophobicContact CB-CD1 4.43Å; C512-F543 HydrophobicContact CB-CE2 3.92Å; C512-F543 HydrophobicContact CB-CZ 3.64Å; C512-L556 HydrophobicContact CB-CD1 4.3Å; C512-R557 WeakPolarHBondContact CA-O 3.43Å; C512-L558 HydrophobicContact CB-CD2 4.24Å; C512-L558 WeakPolarHBondContact SG-CD2 3.18Å
513	Q	92.5	Very high	86.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.6	176.8	179.4	179.4	49.2	0	0	110.3	L515 T517 T523 R557 L606	Q513-L515 HydrophobicContact CG-CD2 4.04Å; Q513-T517 PolarHBondContact NE2-OG1 3.48Å; Q513-T523 HydrophobicContact CB-CG2 4.26Å; Q513-T523 HydrophobicContact CG-CG2 4.16Å; Q513-R557 HydrophobicContact CB-CB 4.35Å; Q513-R557 PolarHBondContact N-O 3.16Å; Q513-R557 PolarHBondContact O-N 3.22Å; Q513-L606 HydrophobicContact CB-CD1 4.35Å
514	L	91.4	Very high	86.8	Confident	20 Å²	20	43.7 Å²	43.7	11%	0.105	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.9	172.7	-170	66.9	0	0	0	110	P516 T517 F543 F546 K554 L578	L514-P516 CarbonylContact O-C 3.48Å; L514-T517 WeakPolarHBondContact O-CA 3.39Å; L514-F543 HydrophobicContact CB-CE1 4.29Å; L514-F546 HydrophobicContact CD1-CE2 3.99Å; L514-F546 HydrophobicContact CD2-CD2 3.74Å; L514-F546 HydrophobicContact CD2-CE2 3.72Å; L514-K554 HydrophobicContact CD1-CB 4.13Å; L514-K554 HydrophobicContact CD1-CD 4.41Å; L514-K554 HydrophobicContact CD2-CD 4.15Å; L514-L578 HydrophobicContact CD1-CD1 3.49Å; L514-L578 VanDerWaalsContact CD1-CD1 3.49Å
515	L	89	Confident	87.2	Confident	21 Å²	21	46.1 Å²	46.1	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.7	177.7	-60.7	178	0	0	0	110.6	Q513 T517 K554 T555 R557 R575	Q513-L515 HydrophobicContact CG-CD2 4.04Å; L515-T517 WeakPolarHBondContact CD2-OG1 3.13Å; L515-K554 CarbonylContact O-C 3.51Å; L515-K554 VanDerWaalsContact O-CA 3.27Å; L515-K554 WeakPolarHBondContact O-CA 3.31Å; L515-T555 PolarHBondContact N-O 3.49Å; L515-T555 PolarHBondContact O-N 2.64Å; L515-R557 HydrophobicContact CD1-CB 4.06Å; L515-R557 HydrophobicContact CG-CB 4.37Å; L515-R575 VanDerWaalsContact CD1-NH1 3.28Å
516	P	86.2	Confident	87.4	Confident	101 Å²	101	43.5 Å²	43.5	66%	0.656	24%	0.24	S	C	*	.	S	Bend	cis	-64.4	142.4	-8.5	28.9	-34.9	0	0	0	111.6	L514 S518	L514-P516 CarbonylContact O-C 3.48Å; P516-S518 PolarHBondContact O-N 3.39Å
517	T	81.2	Confident	87.4	Confident	53 Å²	53	45.7 Å²	45.7	33%	0.325	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-66.1	126.2	-179.3	-47.2	0	0	0	0	109.7	Q513 L514 L515	Q513-T517 PolarHBondContact NE2-OG1 3.48Å; L514-T517 WeakPolarHBondContact O-CA 3.39Å; L515-T517 WeakPolarHBondContact CD2-OG1 3.13Å
518	S	74.8	Confident	87.5	Confident	65 Å²	65	45 Å²	45	46%	0.455	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-82.8	158	168.3	71.2	0	0	0	0	110.4	P516 N520 S521	P516-S518 PolarHBondContact O-N 3.39Å; S518-N520 PolarHBondContact O-N 3.12Å; S518-S521 WeakPolarHBondContact O-CB 3.24Å; S518-S521 PolarHBondContact O-N 3.34Å; S518-S521 WeakPolarHBondContact OG-CB 3.5Å; S518-S521 PolarHBondContact OG-N 3.05Å
519	H	64.3	Low	87.4	Confident	176 Å²	176	48.9 Å²	48.9	82%	0.815	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.5	178.8	56.3	-84.9	0	0	0	113.9
520	N	61.3	Low	87.3	Confident	127 Å²	127	52.5 Å²	52.5	68%	0.679	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	19.3	177.5	-66.3	-17.4	0	0	0	112.7	S518 T522	S518-N520 PolarHBondContact O-N 3.12Å; N520-T522 PolarHBondContact O-N 3.01Å
521	S	70.9	Confident	87	Confident	28 Å²	28	56.8 Å²	56.8	20%	0.196	31%	0.313	C	S	.	.			trans	-68.3	118	-178	-172.5	0	0	0	0	110	S518	S518-S521 WeakPolarHBondContact O-CB 3.24Å; S518-S521 PolarHBondContact O-N 3.34Å; S518-S521 WeakPolarHBondContact OG-CB 3.5Å; S518-S521 PolarHBondContact OG-N 3.05Å
522	T	82.8	Confident	87	Confident	75 Å²	75	57 Å²	57	46%	0.46	31%	0.314	S	S	.	.			trans	-65.6	148.4	166.2	55.8	0	0	0	0	109.7	N520 F543	N520-T522 PolarHBondContact O-N 3.01Å; T522-F543 WeakPolarHBondContact O-CE1 3.34Å
523	T	88.3	Confident	87.1	Confident	66 Å²	66	59 Å²	59	41%	0.405	33%	0.325	S	S	.	.			trans	-122.8	76.7	173.2	52.8	0	0	0	0	108.4	C512 Q513 L606	C512-T523 CarbonylContact O-C 3.56Å; C512-T523 WeakPolarHBondContact O-CA 3.24Å; Q513-T523 HydrophobicContact CB-CG2 4.26Å; Q513-T523 HydrophobicContact CG-CG2 4.16Å; T523-L606 HydrophobicContact CG2-CD2 4.47Å
524	P	92.8	Very high	87.3	Confident	27 Å²	27	63.1 Å²	63.1	18%	0.175	35%	0.347	C	S	.	.			trans	-63.9	148.1	-179.1	27.8	-33.7	0	0	0	110.4	C512 L541 F543	C512-P524 HydrophobicContact CB-CG 4.21Å; C512-P524 PolarHBondContact N-O 3.18Å; C512-P524 WeakPolarHBondContact O-CD 3.34Å; P524-L541 HydrophobicContact CB-CB 4.05Å; P524-L541 HydrophobicContact CB-CD1 4.35Å; P524-L541 HydrophobicContact CB-CD2 4.32Å; P524-L541 HydrophobicContact CB-CG 4.47Å; P524-L541 HydrophobicContact CG-CB 4.22Å; P524-F543 VanDerWaalsContact CD-CE1 3.44Å; P524-F543 HydrophobicContact CG-CD1 4.32Å; P524-F543 HydrophobicContact CG-CE1 3.87Å; P524-F543 HydrophobicContact CG-CE2 4.2Å; P524-F543 HydrophobicContact CG-CZ 3.81Å
525	R	94.5	Very high	87.6	Confident	95 Å²	95	62.3 Å²	62.3	36%	0.358	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-134.6	157.1	178.4	67.5	173.9	-77.9	-174.4	-7.7	111.6	Y509 V510 V511 T528 L541 E563	Y509-R525 HydrophobicContact CD2-CB 4.35Å; Y509-R525 VanDerWaalsContact CD2-NH2 3.27Å; V510-R525 CarbonylContact O-C 3.59Å; V510-R525 WeakPolarHBondContact O-CA 3.18Å; V510-R525 WeakPolarHBondContact O-CB 3.41Å; V511-R525 HydrophobicContact CG2-CB 4.05Å; R525-T528 PolarHBondContact NH2-OG1 2.86Å; R525-L541 VanDerWaalsContact O-CD2 3.31Å; R525-L541 WeakPolarHBondContact O-CD2 3.36Å; R525-E563 IonicContact CZ-OE1 3.55Å; R525-E563 IonicContact NH1-OE1 3.33Å; R525-E563 PolarHBondContact NH1-OE1 3.17Å; R525-E563 VanDerWaalsContact NH1-OE1 3.16Å; R525-E563 IonicContact NH2-OE1 2.75Å; R525-E563 PolarHBondContact NH2-OE1 2.84Å; R525-E563 IonicContact NH2-OE2 3.4Å
526	T	96.4	Very high	88	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.018	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-76.6	168.1	170.5	65.9	0	0	0	0	111.5	I491 V510 W537 E539 L541	I491-T526 HydrophobicContact CB-CG2 3.77Å; I491-T526 HydrophobicContact CG1-CG2 3.84Å; I491-T526 HydrophobicContact CG2-CG2 3.94Å; V510-T526 HydrophobicContact CB-CG2 4.09Å; V510-T526 PolarHBondContact N-OG1 2.84Å; V510-T526 PolarHBondContact O-N 3.48Å; T526-W537 HydrophobicContact CG2-CB 4.38Å; T526-W537 HydrophobicContact CG2-CG 4.19Å; T526-W537 PolarHBondContact OG1-NE1 3.23Å; T526-E539 VanDerWaalsContact CA-OE2 3.26Å; T526-E539 WeakPolarHBondContact CA-OE2 3.31Å; T526-E539 HydrophobicContact CG2-CB 4.36Å; T526-L541 HydrophobicContact CG2-CD1 4.07Å
527	S	94.6	Very high	88.5	Confident	47 Å²	47	60.3 Å²	60.3	33%	0.329	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-59.6	152.9	162	95.3	0	0	0	0	110.5	R529 W537 E539	S527-R529 PolarHBondContact OG-NE 3.47Å; S527-R529 PolarHBondContact OG-NH2 3.38Å; S527-W537 PolarHBondContact O-NE1 2.91Å; S527-E539 VanDerWaalsContact CB-OE1 3.28Å; S527-E539 WeakPolarHBondContact CB-OE1 3.36Å; S527-E539 PolarHBondContact N-OE1 3.29Å; S527-E539 PolarHBondContact N-OE2 3.29Å; S527-E539 PolarHBondContact OG-OE1 3.01Å
528	T	95	Very high	89.2	Confident	22 Å²	22	60.3 Å²	60.3	14%	0.135	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-79.3	139.6	171.1	-53.4	0	0	0	0	109.8	D507 R525 E563	D507-T528 HydrophobicContact CB-CG2 3.86Å; D507-T528 WeakPolarHBondContact O-CG2 3.41Å; R525-T528 PolarHBondContact NH2-OG1 2.86Å; T528-E563 VanDerWaalsContact CB-OE2 3.23Å; T528-E563 WeakPolarHBondContact CB-OE2 3.11Å; T528-E563 HydrophobicContact CG2-CB 3.7Å; T528-E563 HydrophobicContact CG2-CG 4.43Å; T528-E563 WeakPolarHBondContact CG2-OE2 3.26Å; T528-E563 PolarHBondContact OG1-OE2 2.79Å
529	R	96	Very high	90.2	Very high	80 Å²	80	59.2 Å²	59.2	30%	0.302	31%	0.314	S	S	.	.			trans	-110.2	107.1	173.2	-60.6	-65.3	164	167.9	-0.9	108.2	D507 P508 S527 C532 P535 V536 W537 E539	D507-R529 CarbonylContact C-O 3.58Å; D507-R529 WeakPolarHBondContact CA-O 3.13Å; P508-R529 WeakPolarHBondContact CD-O 3.41Å; P508-R529 HydrophobicContact CG-CB 4.45Å; P508-R529 PolarHBondContact O-N 3.32Å; S527-R529 PolarHBondContact OG-NE 3.47Å; S527-R529 PolarHBondContact OG-NH2 3.38Å; R529-C532 VanDerWaalsContact CB-SG 3.53Å; R529-C532 PolarHBondContact O-SG 3.27Å; R529-P535 HydrophobicContact CB-CB 3.82Å; R529-P535 HydrophobicContact CG-CB 3.85Å; R529-V536 PolarHBondContact NE-O 3.18Å; R529-W537 HydrophobicContact CG-CG 4.37Å; R529-W537 PolarHBondContact NH2-O 2.99Å; R529-E539 IonicContact CZ-OE1 3.89Å; R529-E539 IonicContact NH2-OE1 2.75Å; R529-E539 PolarHBondContact NH2-OE1 3.02Å
530	P	93.3	Very high	91.7	Very high	85 Å²	85	52 Å²	52	55%	0.552	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	144.4	-171.9	28.7	-34.5	0	0	0	111.6	D507 C532	D507-P530 WeakPolarHBondContact OD1-CA 3.44Å; P530-C532 PolarHBondContact O-N 3.07Å
531	Q	91.6	Very high	93.3	Very high	91 Å²	91	46.8 Å²	46.8	43%	0.425	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	51.9	166.8	-57.9	-172.7	-21.6	0	0	113.2	L505 S506 D507	L505-Q531 HydrophobicContact CB-CB 4.47Å; L505-Q531 HydrophobicContact CD1-CB 3.87Å; L505-Q531 WeakPolarHBondContact CD1-O 3.4Å; S506-Q531 CarbonylContact O-C 3.51Å; S506-Q531 VanDerWaalsContact O-CA 3.27Å; S506-Q531 WeakPolarHBondContact O-CA 3.48Å; S506-Q531 PolarHBondContact O-N 3.44Å; S506-Q531 VanDerWaalsContact O-N 3.1Å; D507-Q531 PolarHBondContact OD1-N 3.12Å
532	C	95.3	Very high	94.3	Very high	14 Å²	14	47.2 Å²	47.2	10%	0.095	26%	0.258	C	S	.	.			trans	-147.2	148.5	179.3	72.5	0	0	0	0	113	S506 P508 R529 P530	S506-C532 PolarHBondContact O-N 3.23Å; P508-C532 VanDerWaalsContact CD-O 3.24Å; P508-C532 WeakPolarHBondContact CD-O 3.17Å; P508-C532 WeakPolarHBondContact CG-O 3.48Å; R529-C532 VanDerWaalsContact CB-SG 3.53Å; R529-C532 PolarHBondContact O-SG 3.27Å; P530-C532 PolarHBondContact O-N 3.07Å
533	L	95.9	Very high	94.8	Very high	42 Å²	42	44 Å²	44	22%	0.22	24%	0.238	C	C	.	.	S	Bend	trans	-106.9	-5.4	174.6	-57	-178	0	0	0	112.9	N496 L497 A499 L505	N496-L533 PolarHBondContact N-O 3.02Å; L497-L533 WeakPolarHBondContact CB-O 3.37Å; L497-L533 PolarHBondContact N-O 3.18Å; L497-L533 WeakPolarHBondContact O-CD2 3.33Å; A499-L533 HydrophobicContact CB-CD1 4.38Å; A499-L533 HydrophobicContact CB-CD2 4.22Å; L505-L533 HydrophobicContact CD2-CD1 4.4Å; L505-L533 HydrophobicContact CD2-CG 4.07Å
534	N	97.2	Very high	94.7	Very high	88 Å²	88	46.7 Å²	46.7	47%	0.471	25%	0.246	S	C	.	.	S	Bend	trans	-127.8	56.2	179.2	-59.6	-71.1	0	0	0	110.8	A494 K495 N496	A494-N534 CarbonylContact O-C 3.58Å; A494-N534 VanDerWaalsContact O-CA 3.28Å; A494-N534 WeakPolarHBondContact O-CA 3.19Å; K495-N534 VanDerWaalsContact CA-OD1 3.23Å; K495-N534 WeakPolarHBondContact CA-OD1 3.49Å; N496-N534 PolarHBondContact N-OD1 3.16Å
535	P	97.5	Very high	94.4	Very high	2 Å²	2	51 Å²	51	1%	0.013	27%	0.274	C	S	.	.			trans	-62.8	143.5	-175	28	-37.4	0	0	0	111.8	K493 A494 L497 P508 R529 W537	K493-P535 CarbonylContact C-O 3.49Å; K493-P535 WeakPolarHBondContact CA-O 3.47Å; K493-P535 WeakPolarHBondContact CB-O 3.38Å; A494-P535 HydrophobicContact CB-CG 3.92Å; A494-P535 PolarHBondContact N-O 3.37Å; L497-P535 HydrophobicContact CD1-CG 3.7Å; P508-P535 HydrophobicContact CB-CB 4.49Å; P508-P535 HydrophobicContact CB-CG 4.01Å; P508-P535 HydrophobicContact CG-CB 3.71Å; P508-P535 HydrophobicContact CG-CG 3.55Å; R529-P535 HydrophobicContact CB-CB 3.82Å; R529-P535 HydrophobicContact CG-CB 3.85Å; P535-W537 HydrophobicContact CB-CD2 4.22Å; P535-W537 HydrophobicContact CB-CE3 4.33Å; P535-W537 HydrophobicContact CB-CH2 3.82Å; P535-W537 HydrophobicContact CB-CZ2 3.62Å; P535-W537 HydrophobicContact CB-CZ3 4.16Å; P535-W537 HydrophobicContact CG-CE3 4.31Å; P535-W537 HydrophobicContact CG-CH2 3.17Å; P535-W537 HydrophobicContact CG-CZ2 3.45Å; P535-W537 VanDerWaalsContact CG-CZ2 3.45Å; P535-W537 HydrophobicContact CG-CZ3 3.65Å
536	V	97.8	Very high	94.1	Very high	71 Å²	71	46.6 Å²	46.6	43%	0.43	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.1	167.3	-178	0	0	0	0	107.5	K493 R529 N538	K493-V536 HydrophobicContact CB-CB 4.42Å; K493-V536 HydrophobicContact CB-CG2 4.02Å; R529-V536 PolarHBondContact NE-O 3.18Å; V536-N538 WeakPolarHBondContact CG1-ND2 3.39Å
537	W	97	Very high	93.3	Very high	9 Å²	9	49.5 Å²	49.5	3%	0.034	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-53.2	178.9	-63.9	-82.2	0	0	0	111.2	L474 I491 H492 A494 P508 V510 T526 S527 R529 P535 E539	L474-W537 HydrophobicContact CD1-CZ3 4.04Å; I491-W537 HydrophobicContact CG2-CB 4.48Å; I491-W537 HydrophobicContact CG2-CD2 4.13Å; I491-W537 HydrophobicContact CG2-CE3 3.58Å; I491-W537 HydrophobicContact CG2-CZ3 4.08Å; H492-W537 PolarHBondContact O-N 3.39Å; A494-W537 HydrophobicContact CB-CH2 3.93Å; A494-W537 HydrophobicContact CB-CZ3 3.77Å; P508-W537 HydrophobicContact CB-CH2 4.47Å; P508-W537 HydrophobicContact CB-CZ2 3.97Å; P508-W537 HydrophobicContact CG-CZ2 4.43Å; P508-W537 PolarHBondContact O-NE1 2.92Å; V510-W537 HydrophobicContact CG2-CE3 4.34Å; V510-W537 HydrophobicContact CG2-CH2 3.55Å; V510-W537 HydrophobicContact CG2-CZ2 3.83Å; V510-W537 HydrophobicContact CG2-CZ3 3.84Å; T526-W537 HydrophobicContact CG2-CB 4.38Å; T526-W537 HydrophobicContact CG2-CG 4.19Å; T526-W537 PolarHBondContact OG1-NE1 3.23Å; S527-W537 PolarHBondContact O-NE1 2.91Å; R529-W537 HydrophobicContact CG-CG 4.37Å; R529-W537 PolarHBondContact NH2-O 2.99Å; P535-W537 HydrophobicContact CB-CD2 4.22Å; P535-W537 HydrophobicContact CB-CE3 4.33Å; P535-W537 HydrophobicContact CB-CH2 3.82Å; P535-W537 HydrophobicContact CB-CZ2 3.62Å; P535-W537 HydrophobicContact CB-CZ3 4.16Å; P535-W537 HydrophobicContact CG-CE3 4.31Å; P535-W537 HydrophobicContact CG-CH2 3.17Å; P535-W537 HydrophobicContact CG-CZ2 3.45Å; P535-W537 VanDerWaalsContact CG-CZ2 3.45Å; P535-W537 HydrophobicContact CG-CZ3 3.65Å; W537-E539 VanDerWaalsContact C-N 3.28Å; W537-E539 HydrophobicContact CB-CB 4.38Å; W537-E539 HydrophobicContact CB-CG 4.32Å; W537-E539 PolarHBondContact O-N 3.17Å
538	N	96	Very high	92.6	Very high	53 Å²	53	48 Å²	48	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.6	47.3	-171.5	-61.8	-23.4	0	0	0	112.2	F426 I491 H492 V536	F426-N538 HydrophobicContact CB-CB 3.85Å; F426-N538 HydrophobicContact CD2-CB 3.89Å; F426-N538 WeakPolarHBondContact CD2-O 3.48Å; F426-N538 HydrophobicContact CG-CB 4.13Å; I491-N538 VanDerWaalsContact O-CA 3.32Å; I491-N538 WeakPolarHBondContact O-CA 3.12Å; I491-N538 PolarHBondContact O-N 3.24Å; H492-N538 PolarHBondContact O-N 3.36Å; H492-N538 PolarHBondContact O-OD1 3.03Å; V536-N538 WeakPolarHBondContact CG1-ND2 3.39Å
539	E	96.1	Very high	92	Very high	42 Å²	42	53.8 Å²	53.8	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134	-175.2	-74.9	169.8	-123.7	0	0	111	A490 I491 T526 S527 R529 W537	A490-E539 CarbonylContact C-O 3.53Å; A490-E539 WeakPolarHBondContact CA-O 3.32Å; I491-E539 PolarHBondContact N-O 3.47Å; I491-E539 PolarHBondContact O-N 3.43Å; T526-E539 VanDerWaalsContact CA-OE2 3.26Å; T526-E539 WeakPolarHBondContact CA-OE2 3.31Å; T526-E539 HydrophobicContact CG2-CB 4.36Å; S527-E539 VanDerWaalsContact CB-OE1 3.28Å; S527-E539 WeakPolarHBondContact CB-OE1 3.36Å; S527-E539 PolarHBondContact N-OE1 3.29Å; S527-E539 PolarHBondContact N-OE2 3.29Å; S527-E539 PolarHBondContact OG-OE1 3.01Å; R529-E539 IonicContact CZ-OE1 3.89Å; R529-E539 IonicContact NH2-OE1 2.75Å; R529-E539 PolarHBondContact NH2-OE1 3.02Å; W537-E539 VanDerWaalsContact C-N 3.28Å; W537-E539 HydrophobicContact CB-CB 4.38Å; W537-E539 HydrophobicContact CB-CG 4.32Å; W537-E539 PolarHBondContact O-N 3.17Å
540	A	95	Very high	91.3	Very high	24 Å²	24	54.5 Å²	54.5	20%	0.198	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.4	176.5	0	0	0	0	0	110.7	A419 L422 A423	A419-A540 HydrophobicContact CB-CB 4.35Å; A419-A540 VanDerWaalsContact O-CB 3.22Å; A419-A540 WeakPolarHBondContact O-CB 3.44Å; L422-A540 HydrophobicContact CB-CB 4.35Å; A423-A540 HydrophobicContact CB-CB 4.11Å
541	L	94.8	Very high	91	Very high	18 Å²	18	52 Å²	52	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	144.7	175.9	-54.8	178.7	0	0	0	109.3	H488 V489 I491 C512 P524 R525 T526	H488-L541 CarbonylContact C-O 3.49Å; H488-L541 WeakPolarHBondContact CA-O 3.3Å; V489-L541 HydrophobicContact CB-CB 4.43Å; V489-L541 PolarHBondContact N-O 2.94Å; V489-L541 PolarHBondContact O-N 3.37Å; I491-L541 HydrophobicContact CG1-CD1 4.27Å; C512-L541 HydrophobicContact CB-CD1 4.43Å; P524-L541 HydrophobicContact CB-CB 4.05Å; P524-L541 HydrophobicContact CB-CD1 4.35Å; P524-L541 HydrophobicContact CB-CD2 4.32Å; P524-L541 HydrophobicContact CB-CG 4.47Å; P524-L541 HydrophobicContact CG-CB 4.22Å; R525-L541 VanDerWaalsContact O-CD2 3.31Å; R525-L541 WeakPolarHBondContact O-CD2 3.36Å; T526-L541 HydrophobicContact CG2-CD1 4.07Å
542	T	93.4	Very high	90.8	Very high	38 Å²	38	53.1 Å²	53.1	23%	0.233	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.4	-177.7	-56.3	0	0	0	0	110.7	A419 Q486 L487 H488	A419-T542 VanDerWaalsContact CB-OG1 3.29Å; A419-T542 WeakPolarHBondContact CB-OG1 2.98Å; Q486-T542 HydrophobicContact CB-CG2 3.9Å; Q486-T542 HydrophobicContact CG-CG2 3.94Å; L487-T542 WeakPolarHBondContact O-CA 3.42Å; H488-T542 PolarHBondContact ND1-OG1 3.18Å
543	F	91.3	Very high	90.4	Very high	7 Å²	7	58 Å²	58	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.6	165.8	-65.9	-86.3	0	0	0	109.4	Q486 L487 V489 C512 L514 T522 P524 L556	Q486-F543 WeakPolarHBondContact CA-O 3.28Å; L487-F543 HydrophobicContact CB-CB 4.29Å; L487-F543 HydrophobicContact CB-CD2 4.47Å; L487-F543 HydrophobicContact CD2-CD2 4.2Å; L487-F543 HydrophobicContact CG-CD2 4.46Å; L487-F543 PolarHBondContact N-O 3.3Å; L487-F543 VanDerWaalsContact N-O 3.14Å; L487-F543 PolarHBondContact O-N 3.17Å; V489-F543 HydrophobicContact CG2-CD2 4.12Å; V489-F543 HydrophobicContact CG2-CE2 3.85Å; C512-F543 HydrophobicContact CB-CE2 3.92Å; C512-F543 HydrophobicContact CB-CZ 3.64Å; L514-F543 HydrophobicContact CB-CE1 4.29Å; T522-F543 WeakPolarHBondContact O-CE1 3.34Å; P524-F543 VanDerWaalsContact CD-CE1 3.44Å; P524-F543 HydrophobicContact CG-CD1 4.32Å; P524-F543 HydrophobicContact CG-CE1 3.87Å; P524-F543 HydrophobicContact CG-CE2 4.2Å; P524-F543 HydrophobicContact CG-CZ 3.81Å; F543-L556 HydrophobicContact CE2-CD1 3.72Å; F543-L556 HydrophobicContact CZ-CD1 3.97Å
544	E	88.1	Confident	90.2	Very high	123 Å²	123	57.8 Å²	57.8	58%	0.575	31%	0.307	S	S	*	.	S	Bend	trans	-140.7	130.2	176.4	-172.9	176.1	169.1	0	0	109.8	Q486	Q486-E544 HydrophobicContact CG-CB 4.17Å; Q486-E544 HydrophobicContact CG-CG 4.1Å; Q486-E544 PolarHBondContact NE2-OE2 3.4Å
545	P	86	Confident	90	Very high	117 Å²	117	55.1 Å²	55.1	76%	0.76	29%	0.294	S	S	*	.	S	Bend	cis	-79.2	143.8	-7	32.3	-33.9	0	0	0	112.6
546	F	87.1	Confident	89.8	Confident	2 Å²	2	55 Å²	55	1%	0.009	29%	0.293	C	S	.	.			trans	-128.4	94.8	168.2	-174	-91.4	0	0	0	109.5	H480 K485 L487 L514 G548 I551 K554 L578	H480-F546 AromaticContact CD2-CD1 3.54Å; H480-F546 AromaticContact CD2-CE1 3.64Å; H480-F546 AromaticContact NE2-CD1 3.52Å; H480-F546 AromaticContact NE2-CE1 3.53Å; K485-F546 CarbonylContact C-O 3.41Å; K485-F546 WeakPolarHBondContact CA-O 3.4Å; K485-F546 CarbonylContact O-C 3.58Å; K485-F546 WeakPolarHBondContact O-CA 3.32Å; K485-F546 PolarHBondContact O-N 3.29Å; L487-F546 HydrophobicContact CB-CB 4.01Å; L487-F546 HydrophobicContact CB-CD1 3.79Å; L487-F546 HydrophobicContact CB-CD2 4.12Å; L487-F546 HydrophobicContact CB-CE1 4.29Å; L487-F546 HydrophobicContact CB-CG 3.71Å; L487-F546 HydrophobicContact CD2-CD2 4.29Å; L487-F546 HydrophobicContact CD2-CE2 4.06Å; L487-F546 HydrophobicContact CD2-CZ 4.23Å; L514-F546 HydrophobicContact CD1-CE2 3.99Å; L514-F546 HydrophobicContact CD2-CD2 3.74Å; L514-F546 HydrophobicContact CD2-CE2 3.72Å; F546-G548 VanDerWaalsContact C-N 3.27Å; F546-G548 PolarHBondContact O-N 2.91Å; F546-I551 HydrophobicContact CE1-CD1 4.33Å; F546-I551 HydrophobicContact CZ-CD1 4.37Å; F546-I551 HydrophobicContact CZ-CG1 4.28Å; F546-K554 HydrophobicContact CE2-CD 3.68Å; F546-K554 HydrophobicContact CZ-CD 4.08Å; F546-L578 HydrophobicContact CE2-CD1 3.78Å; F546-L578 HydrophobicContact CZ-CD1 3.63Å
547	D	81.5	Confident	89.7	Confident	65 Å²	65	51.7 Å²	51.7	35%	0.348	27%	0.273	S	S	.	.			trans	-84.6	6.8	-173.8	67.3	-7	0	0	0	114.7	K485 K549 K554	K485-D547 HydrophobicContact CD-CB 4.42Å; D547-K549 HydrophobicContact CB-CG 4.49Å; D547-K549 PolarHBondContact O-N 2.96Å; D547-K549 WeakPolarHBondContact OD1-CB 3.27Å; D547-K549 PolarHBondContact OD1-N 2.75Å; D547-K549 VanDerWaalsContact OD1-N 3.1Å; D547-K549 WeakPolarHBondContact OD2-CD 3.39Å; D547-K549 WeakPolarHBondContact OD2-CE 3.43Å; D547-K549 VanDerWaalsContact OD2-CG 3.32Å; D547-K549 WeakPolarHBondContact OD2-CG 3.41Å; D547-K549 IonicContact OD2-NZ 2.87Å; D547-K549 PolarHBondContact OD2-NZ 3.34Å; D547-K549 VanDerWaalsContact OD2-NZ 3.13Å; D547-K554 IonicContact OD1-NZ 2.96Å
548	G	78	Confident	89.6	Confident	16 Å²	16	51.3 Å²	51.3	17%	0.165	27%	0.271	C	S	.	.			trans	64.9	-1.1	-176.7	0	0	0	0	0	115.1	F546 N550 I551	F546-G548 VanDerWaalsContact C-N 3.27Å; F546-G548 PolarHBondContact O-N 2.91Å; G548-N550 PolarHBondContact O-N 3.28Å; G548-I551 WeakPolarHBondContact O-CB 3.15Å; G548-I551 PolarHBondContact O-N 3.4Å; G548-I551 VanDerWaalsContact O-N 3.15Å
549	K	82.2	Confident	89.6	Confident	142 Å²	142	48.8 Å²	48.8	62%	0.617	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	136.3	177.5	-68.1	-176.5	-163.6	150.1	0	109.7	D547 I551 K554	D547-K549 HydrophobicContact CB-CG 4.49Å; D547-K549 PolarHBondContact O-N 2.96Å; D547-K549 WeakPolarHBondContact OD1-CB 3.27Å; D547-K549 PolarHBondContact OD1-N 2.75Å; D547-K549 VanDerWaalsContact OD1-N 3.1Å; D547-K549 WeakPolarHBondContact OD2-CD 3.39Å; D547-K549 WeakPolarHBondContact OD2-CE 3.43Å; D547-K549 VanDerWaalsContact OD2-CG 3.32Å; D547-K549 WeakPolarHBondContact OD2-CG 3.41Å; D547-K549 IonicContact OD2-NZ 2.87Å; D547-K549 PolarHBondContact OD2-NZ 3.34Å; D547-K549 VanDerWaalsContact OD2-NZ 3.13Å; K549-I551 PolarHBondContact O-N 2.91Å; K549-K554 VanDerWaalsContact O-CE 3.27Å; K549-K554 WeakPolarHBondContact O-CE 3.33Å; K549-K554 PolarHBondContact O-NZ 3.47Å; K549-K554 VanDerWaalsContact O-NZ 3.07Å
550	N	82.5	Confident	89.6	Confident	96 Å²	96	46.8 Å²	46.8	51%	0.513	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	34.8	-176.3	-59.4	-34.5	0	0	0	112.7	G548 Q552 L553 K554	G548-N550 PolarHBondContact O-N 3.28Å; N550-Q552 VanDerWaalsContact C-OE1 3.29Å; N550-Q552 PolarHBondContact O-N 2.94Å; N550-L553 HydrophobicContact CB-CB 4.28Å; N550-L553 HydrophobicContact CB-CD1 4.05Å; N550-L553 HydrophobicContact CB-CG 4.24Å; N550-L553 PolarHBondContact O-N 3.35Å; N550-K554 PolarHBondContact O-N 2.95Å
551	I	87.9	Confident	89.6	Confident	31 Å²	31	45.6 Å²	45.6	16%	0.159	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-52	-32.2	177.7	-168.5	168.1	0	0	0	111.9	F546 G548 K549 L553 K554 L578	F546-I551 HydrophobicContact CE1-CD1 4.33Å; F546-I551 HydrophobicContact CZ-CD1 4.37Å; F546-I551 HydrophobicContact CZ-CG1 4.28Å; G548-I551 WeakPolarHBondContact O-CB 3.15Å; G548-I551 PolarHBondContact O-N 3.4Å; G548-I551 VanDerWaalsContact O-N 3.15Å; K549-I551 PolarHBondContact O-N 2.91Å; I551-L553 PolarHBondContact O-N 3.28Å; I551-K554 PolarHBondContact O-N 3.05Å; I551-K554 VanDerWaalsContact O-N 3.1Å; I551-L578 HydrophobicContact CD1-CB 4.23Å; I551-L578 HydrophobicContact CG1-CB 3.56Å
552	Q	86.5	Confident	89.6	Confident	116 Å²	116	44.8 Å²	44.8	54%	0.542	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-65.8	-22.3	176.1	70.9	-81.2	15.8	0	0	114.8	N550	N550-Q552 VanDerWaalsContact C-OE1 3.29Å; N550-Q552 PolarHBondContact O-N 2.94Å
553	L	87.8	Confident	89.5	Confident	117 Å²	117	43.7 Å²	43.7	61%	0.613	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-95	-7.9	175.8	-56.6	-177.6	0	0	0	112.2	N550 I551	N550-L553 HydrophobicContact CB-CB 4.28Å; N550-L553 HydrophobicContact CB-CD1 4.05Å; N550-L553 HydrophobicContact CB-CG 4.24Å; N550-L553 PolarHBondContact O-N 3.35Å; I551-L553 PolarHBondContact O-N 3.28Å
554	K	90.9	Very high	89.3	Confident	37 Å²	37	45.2 Å²	45.2	16%	0.161	24%	0.235	C	C	.	.			trans	-93.5	138.4	-174.6	-70.5	176.2	174.2	170.9	0	111.3	L514 L515 F546 D547 K549 N550 I551 L578	L514-K554 HydrophobicContact CD1-CB 4.13Å; L514-K554 HydrophobicContact CD1-CD 4.41Å; L514-K554 HydrophobicContact CD2-CD 4.15Å; L515-K554 CarbonylContact O-C 3.51Å; L515-K554 VanDerWaalsContact O-CA 3.27Å; L515-K554 WeakPolarHBondContact O-CA 3.31Å; F546-K554 HydrophobicContact CE2-CD 3.68Å; F546-K554 HydrophobicContact CZ-CD 4.08Å; D547-K554 IonicContact OD1-NZ 2.96Å; K549-K554 VanDerWaalsContact O-CE 3.27Å; K549-K554 WeakPolarHBondContact O-CE 3.33Å; K549-K554 PolarHBondContact O-NZ 3.47Å; K549-K554 VanDerWaalsContact O-NZ 3.07Å; N550-K554 PolarHBondContact O-N 2.95Å; I551-K554 PolarHBondContact O-N 3.05Å; I551-K554 VanDerWaalsContact O-N 3.1Å; K554-L578 HydrophobicContact CB-CB 4.4Å; K554-L578 HydrophobicContact CB-CD1 3.92Å; K554-L578 HydrophobicContact CB-CG 4.4Å; K554-L578 PolarHBondContact O-N 3.22Å
555	T	92.7	Very high	89.2	Confident	32 Å²	32	41.4 Å²	41.4	20%	0.196	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.8	175	-62.8	0	0	0	0	108.8	L515 R575 L576	L515-T555 PolarHBondContact N-O 3.49Å; L515-T555 PolarHBondContact O-N 2.64Å; T555-R575 HydrophobicContact CG2-CB 3.88Å; T555-R575 HydrophobicContact CG2-CG 4.5Å; T555-L576 CarbonylContact C-O 3.56Å; T555-L576 VanDerWaalsContact CA-O 3.28Å; T555-L576 WeakPolarHBondContact CA-O 3.4Å
556	L	94.3	Very high	89.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.9	167.8	177.2	66.2	0	0	0	108.8	L478 V489 C512 F543 L558 R575 L576 L578	L478-L556 HydrophobicContact CD1-CD2 3.87Å; L478-L556 HydrophobicContact CD2-CD2 3.72Å; L478-L556 HydrophobicContact CG-CD2 4.48Å; V489-L556 HydrophobicContact CG1-CD2 4.37Å; V489-L556 HydrophobicContact CG2-CD2 3.99Å; C512-L556 HydrophobicContact CB-CD1 4.3Å; F543-L556 HydrophobicContact CE2-CD1 3.72Å; F543-L556 HydrophobicContact CZ-CD1 3.97Å; L556-L558 HydrophobicContact CD1-CD2 4.42Å; L556-L558 HydrophobicContact CD2-CD2 4.05Å; L556-L558 HydrophobicContact CD2-CG 4.44Å; L556-L558 HydrophobicContact CG-CD2 4.09Å; L556-L558 HydrophobicContact CG-CG 4.35Å; L556-R575 WeakPolarHBondContact O-CA 3.42Å; L556-L576 PolarHBondContact N-O 2.9Å; L556-L576 PolarHBondContact O-N 3.47Å; L556-L578 HydrophobicContact CB-CD2 3.76Å; L556-L578 HydrophobicContact CB-CG 4.32Å
557	R	94	Very high	89.2	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.9	170.9	-175.5	-173.4	-169.8	-175.4	7.7	108.8	C512 Q513 L515 E573 Y574 R575 H596 E603	C512-R557 WeakPolarHBondContact CA-O 3.43Å; Q513-R557 HydrophobicContact CB-CB 4.35Å; Q513-R557 PolarHBondContact N-O 3.16Å; Q513-R557 PolarHBondContact O-N 3.22Å; L515-R557 HydrophobicContact CD1-CB 4.06Å; L515-R557 HydrophobicContact CG-CB 4.37Å; R557-E573 IonicContact CZ-OE2 3.85Å; R557-E573 IonicContact NE-OE2 3.95Å; R557-E573 PolarHBondContact NE-OE2 2.75Å; R557-E573 VanDerWaalsContact NE-OE2 3.14Å; R557-E573 IonicContact NH2-OE2 3.82Å; R557-E573 PolarHBondContact NH2-OE2 3.14Å; R557-Y574 WeakPolarHBondContact CA-O 3.42Å; R557-R575 HydrophobicContact CB-CG 4.5Å; R557-R575 HydrophobicContact CG-CG 4.24Å; R557-H596 PolarHBondContact NH2-CE1 2.58Å; R557-H596 PolarHBondContact NH2-ND1 3.25Å; R557-E603 IonicContact CZ-OE1 3.01Å; R557-E603 IonicContact NH1-OE1 3.86Å; R557-E603 PolarHBondContact NH1-OE1 2.81Å
558	L	96.2	Very high	89.5	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110	171	-58.6	174.6	0	0	0	107.1	L474 F476 V489 I491 V510 C512 L556 E573 Y574	L474-L558 HydrophobicContact CD2-CB 4.04Å; L474-L558 HydrophobicContact CD2-CD1 3.84Å; F476-L558 HydrophobicContact CD1-CD1 3.64Å; F476-L558 HydrophobicContact CD2-CD1 3.97Å; F476-L558 HydrophobicContact CE1-CD1 3.39Å; F476-L558 HydrophobicContact CE2-CD1 3.75Å; F476-L558 HydrophobicContact CG-CD1 3.92Å; F476-L558 HydrophobicContact CZ-CD1 3.45Å; F476-L558 VanDerWaalsContact CZ-CD1 3.45Å; V489-L558 HydrophobicContact CG1-CD2 4.19Å; I491-L558 HydrophobicContact CD1-CD2 4.17Å; V510-L558 HydrophobicContact CG1-CB 4.38Å; C512-L558 HydrophobicContact CB-CD2 4.24Å; C512-L558 WeakPolarHBondContact SG-CD2 3.18Å; L556-L558 HydrophobicContact CD1-CD2 4.42Å; L556-L558 HydrophobicContact CD2-CD2 4.05Å; L556-L558 HydrophobicContact CD2-CG 4.44Å; L556-L558 HydrophobicContact CG-CD2 4.09Å; L556-L558 HydrophobicContact CG-CG 4.35Å; L558-E573 CarbonylContact O-C 3.48Å; L558-E573 WeakPolarHBondContact O-CA 3.07Å; L558-Y574 HydrophobicContact CD1-CD1 4.44Å; L558-Y574 PolarHBondContact N-O 2.67Å; L558-Y574 PolarHBondContact O-N 3.29Å
559	A	95.5	Very high	89.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.3	177.5	0	0	0	0	0	108.8	V510 V511 L561 W570 L606	V510-A559 CarbonylContact C-O 3.07Å; V510-A559 WeakPolarHBondContact CA-O 3.34Å; V511-A559 HydrophobicContact CB-CB 4.35Å; V511-A559 PolarHBondContact N-O 2.83Å; V511-A559 PolarHBondContact O-N 2.78Å; A559-L561 HydrophobicContact CB-CG 4.44Å; A559-W570 HydrophobicContact CB-CE3 4.3Å; A559-W570 HydrophobicContact CB-CH2 3.76Å; A559-W570 HydrophobicContact CB-CZ3 3.35Å; A559-L606 HydrophobicContact CB-CD1 3.97Å
560	V	96.9	Very high	90.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.6	172.2	-169.1	0	0	0	0	107.2	L474 L497 Y509 V510 L571 G572 L593	L474-V560 HydrophobicContact CD1-CG2 4.41Å; L474-V560 HydrophobicContact CD2-CG2 4.28Å; L497-V560 HydrophobicContact CD1-CG1 4.07Å; L497-V560 HydrophobicContact CD2-CG1 4.15Å; Y509-V560 WeakPolarHBondContact O-CA 3.4Å; V510-V560 HydrophobicContact CG2-CG2 4.14Å; V560-L571 HydrophobicContact CB-CB 4.23Å; V560-L571 HydrophobicContact CG1-CB 4.03Å; V560-L571 HydrophobicContact CG1-CD1 4.03Å; V560-L571 WeakPolarHBondContact O-CB 3.5Å; V560-L571 PolarHBondContact O-N 2.65Å; V560-G572 PolarHBondContact N-O 3.13Å; V560-G572 PolarHBondContact O-N 3.43Å; V560-L593 HydrophobicContact CB-CD1 4.18Å; V560-L593 HydrophobicContact CG2-CD1 3.67Å; V560-L593 HydrophobicContact CG2-CD2 3.74Å; V560-L593 HydrophobicContact CG2-CG 4.39Å
561	L	94.8	Very high	90.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.5	-172.5	-62.3	176	0	0	0	110.3	P508 Y509 V511 A559 D569 W570 L606 A607	P508-L561 CarbonylContact C-O 3.57Å; P508-L561 VanDerWaalsContact CA-O 3.28Å; P508-L561 WeakPolarHBondContact CA-O 3.09Å; Y509-L561 HydrophobicContact CD1-CB 4.09Å; Y509-L561 WeakPolarHBondContact CD1-O 3.27Å; Y509-L561 HydrophobicContact CD2-CB 4.48Å; Y509-L561 HydrophobicContact CE1-CB 3.52Å; Y509-L561 HydrophobicContact CE2-CB 3.99Å; Y509-L561 HydrophobicContact CE2-CD1 3.84Å; Y509-L561 HydrophobicContact CE2-CG 4.44Å; Y509-L561 VanDerWaalsContact CZ-CB 3.48Å; Y509-L561 PolarHBondContact N-O 3.29Å; Y509-L561 PolarHBondContact O-N 3.43Å; Y509-L561 WeakPolarHBondContact OH-CD1 3.28Å; V511-L561 HydrophobicContact CG2-CD1 3.72Å; A559-L561 HydrophobicContact CB-CG 4.44Å; L561-D569 CarbonylContact C-O 3.51Å; L561-D569 WeakPolarHBondContact CA-O 3.43Å; L561-D569 WeakPolarHBondContact CD2-O 3.39Å; L561-W570 HydrophobicContact CD2-CD2 3.58Å; L561-W570 HydrophobicContact CD2-CE3 3.66Å; L561-W570 HydrophobicContact CD2-CG 4.01Å; L561-W570 HydrophobicContact CD2-CH2 4.37Å; L561-W570 HydrophobicContact CD2-CZ2 4.29Å; L561-W570 HydrophobicContact CD2-CZ3 4.1Å; L561-L606 HydrophobicContact CD1-CB 4.45Å; L561-A607 HydrophobicContact CD2-CB 3.95Å
562	D	93.8	Very high	91.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	119.4	174.8	180	43.4	0	0	0	109.4	M500 S506 D507 D564 S568 D569 L571 K721	M500-D562 HydrophobicContact CB-CB 4.15Å; M500-D562 WeakPolarHBondContact CB-OD2 3.37Å; M500-D562 HydrophobicContact CG-CB 4.35Å; S506-D562 VanDerWaalsContact CA-OD1 3.3Å; S506-D562 WeakPolarHBondContact CA-OD1 3.49Å; S506-D562 VanDerWaalsContact CB-OD1 3.29Å; S506-D562 WeakPolarHBondContact CB-OD1 3.48Å; D507-D562 PolarHBondContact N-OD1 3.07Å; D562-D564 PolarHBondContact O-N 2.8Å; D562-S568 CarbonylContact O-C 3.56Å; D562-S568 WeakPolarHBondContact O-CA 3.33Å; D562-S568 WeakPolarHBondContact O-CB 3.37Å; D562-D569 HydrophobicContact CB-CB 4.24Å; D562-D569 PolarHBondContact N-O 3.12Å; D562-D569 PolarHBondContact O-N 2.96Å; D562-L571 HydrophobicContact CB-CD1 4.02Å; D562-L571 HydrophobicContact CB-CD2 4.01Å; D562-L571 HydrophobicContact CB-CG 3.88Å; D562-K721 IonicContact OD2-NZ 3.92Å; D562-K721 PolarHBondContact OD2-NZ 3.46Å
563	E	91.2	Very high	91.7	Very high	16 Å²	16	20 Å²	20	8%	0.075	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	113.7	-174.6	-170	160.9	-112.3	0	0	112.5	D507 Y509 R525 T528 T749 N751	D507-E563 HydrophobicContact CB-CB 4.18Å; D507-E563 PolarHBondContact O-N 2.77Å; Y509-E563 HydrophobicContact CD1-CB 3.86Å; Y509-E563 HydrophobicContact CE1-CB 3.75Å; Y509-E563 HydrophobicContact CE1-CG 4.36Å; R525-E563 IonicContact CZ-OE1 3.55Å; R525-E563 IonicContact NH1-OE1 3.33Å; R525-E563 PolarHBondContact NH1-OE1 3.17Å; R525-E563 VanDerWaalsContact NH1-OE1 3.16Å; R525-E563 IonicContact NH2-OE1 2.75Å; R525-E563 PolarHBondContact NH2-OE1 2.84Å; R525-E563 IonicContact NH2-OE2 3.4Å; T528-E563 VanDerWaalsContact CB-OE2 3.23Å; T528-E563 WeakPolarHBondContact CB-OE2 3.11Å; T528-E563 HydrophobicContact CG2-CB 3.7Å; T528-E563 HydrophobicContact CG2-CG 4.43Å; T528-E563 WeakPolarHBondContact CG2-OE2 3.26Å; T528-E563 PolarHBondContact OG1-OE2 2.79Å; E563-T749 HydrophobicContact CG-CG2 3.63Å; E563-N751 PolarHBondContact OE2-ND2 3.49Å
564	D	87.6	Confident	92	Very high	38 Å²	38	17.2 Å²	17.2	20%	0.203	9%	0.086	C	C	.	.			trans	-96.7	171.8	172.4	-81.7	-39.8	0	0	0	112.4	D562 Y566 G567 K721 T749	D562-D564 PolarHBondContact O-N 2.8Å; D564-Y566 PolarHBondContact O-N 2.91Å; D564-G567 PolarHBondContact N-O 2.67Å; D564-K721 IonicContact OD1-NZ 3.14Å; D564-K721 PolarHBondContact OD1-NZ 3.46Å; D564-K721 IonicContact OD2-NZ 3.48Å; D564-K721 PolarHBondContact OD2-NZ 2.96Å; D564-T749 WeakPolarHBondContact O-CB 3.23Å; D564-T749 WeakPolarHBondContact O-CG2 3.45Å; D564-T749 PolarHBondContact O-OG1 2.75Å
565	L	86.3	Confident	92.2	Very high	43 Å²	43	19.3 Å²	19.3	23%	0.225	9%	0.093	C	C	.	.	S	Bend	trans	-55.1	-36.5	170	-175.9	64.8	0	0	0	113	T715 R748 T749	L565-T715 HydrophobicContact CD2-CG2 3.82Å; L565-R748 HydrophobicContact CD1-CG 4.43Å; L565-T749 WeakPolarHBondContact CA-OG1 3.24Å; L565-T749 PolarHBondContact O-N 3Å; L565-T749 VanDerWaalsContact O-N 3.16Å; L565-T749 PolarHBondContact O-OG1 2.7Å
566	Y	86.7	Confident	92.3	Very high	6 Å²	6	17.8 Å²	17.8	2%	0.024	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-137.9	101.3	-179.9	-66.2	-68.4	0	0	0	111	D564 E696 T698 F710 G713 T715 R748	D564-Y566 PolarHBondContact O-N 2.91Å; Y566-E696 HydrophobicContact CE2-CG 4.12Å; Y566-E696 PolarHBondContact OH-OE1 3.09Å; Y566-T698 HydrophobicContact CE1-CG2 4.3Å; Y566-T698 WeakPolarHBondContact OH-CG2 3.08Å; Y566-F710 HydrophobicContact CD1-CZ 4.41Å; Y566-F710 HydrophobicContact CE1-CE2 4.42Å; Y566-F710 AromaticContact CE1-CZ 3.79Å; Y566-F710 HydrophobicContact CE1-CZ 3.79Å; Y566-G713 VanDerWaalsContact CD1-C 3.41Å; Y566-T715 HydrophobicContact CD2-CG2 3.87Å; Y566-T715 HydrophobicContact CE2-CG2 3.82Å; Y566-R748 HydrophobicContact CD1-CB 4.24Å; Y566-R748 HydrophobicContact CE1-CB 3.76Å; Y566-R748 HydrophobicContact CE1-CG 3.86Å
567	G	85	Confident	92.3	Very high	8 Å²	8	23 Å²	23	8%	0.082	11%	0.108	C	C	.	.	S	Bend	trans	87	-159.1	-175.4	0	0	0	0	0	111.9	D564 A607 S746	D564-G567 PolarHBondContact N-O 2.67Å; G567-A607 CarbonylContact C-O 3.57Å; G567-S746 VanDerWaalsContact N-CB 3.31Å
568	S	88.3	Confident	92.3	Very high	14 Å²	14	23 Å²	23	10%	0.098	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164.4	179.9	-59	0	0	0	0	110.1	Y509 D562 A607	Y509-S568 VanDerWaalsContact OH-CB 3.25Å; Y509-S568 WeakPolarHBondContact OH-CB 3.13Å; Y509-S568 PolarHBondContact OH-OG 2.91Å; D562-S568 CarbonylContact O-C 3.56Å; D562-S568 WeakPolarHBondContact O-CA 3.33Å; D562-S568 WeakPolarHBondContact O-CB 3.37Å; S568-A607 PolarHBondContact N-O 2.7Å; S568-A607 WeakPolarHBondContact O-CB 3.11Å
569	D	87.9	Confident	92	Very high	50 Å²	50	25.9 Å²	25.9	27%	0.267	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	157.9	173.6	-66.1	-72.3	0	0	0	112.6	L561 D562 L571 K721	L561-D569 CarbonylContact C-O 3.51Å; L561-D569 WeakPolarHBondContact CA-O 3.43Å; L561-D569 WeakPolarHBondContact CD2-O 3.39Å; D562-D569 HydrophobicContact CB-CB 4.24Å; D562-D569 PolarHBondContact N-O 3.12Å; D562-D569 PolarHBondContact O-N 2.96Å; D569-L571 PolarHBondContact O-N 3.01Å; D569-K721 WeakPolarHBondContact OD2-CD 3.33Å; D569-K721 VanDerWaalsContact OD2-CE 3.26Å; D569-K721 WeakPolarHBondContact OD2-CE 3.25Å; D569-K721 IonicContact OD2-NZ 2.64Å; D569-K721 PolarHBondContact OD2-NZ 3.29Å
570	W	91.8	Very high	91.6	Very high	47 Å²	47	31.1 Å²	31.1	18%	0.178	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.1	179.5	-70.5	90.1	0	0	0	111.2	A559 L561 E573 H596 L606 A607	A559-W570 HydrophobicContact CB-CE3 4.3Å; A559-W570 HydrophobicContact CB-CH2 3.76Å; A559-W570 HydrophobicContact CB-CZ3 3.35Å; L561-W570 HydrophobicContact CD2-CD2 3.58Å; L561-W570 HydrophobicContact CD2-CE3 3.66Å; L561-W570 HydrophobicContact CD2-CG 4.01Å; L561-W570 HydrophobicContact CD2-CH2 4.37Å; L561-W570 HydrophobicContact CD2-CZ2 4.29Å; L561-W570 HydrophobicContact CD2-CZ3 4.1Å; W570-E573 HydrophobicContact CZ3-CB 4.29Å; W570-H596 HydrophobicContact CB-CB 4.05Å; W570-H596 HydrophobicContact CD2-CB 3.84Å; W570-H596 AromaticContact CD2-CE1 3.85Å; W570-H596 AromaticContact CD2-CG 3.59Å; W570-H596 AromaticContact CD2-ND1 3.18Å; W570-H596 AromaticContact CE2-CE1 3.3Å; W570-H596 AromaticContact CE2-CG 3.83Å; W570-H596 AromaticContact CE2-ND1 3.15Å; W570-H596 HydrophobicContact CE3-CB 3.9Å; W570-H596 AromaticContact CE3-CG 3.85Å; W570-H596 AromaticContact CE3-ND1 3.26Å; W570-H596 VanDerWaalsContact CE3-ND1 3.26Å; W570-H596 HydrophobicContact CG-CB 3.9Å; W570-H596 AromaticContact CG-CG 3.89Å; W570-H596 AromaticContact CG-ND1 3.96Å; W570-H596 AromaticContact CH2-CE1 3.62Å; W570-H596 AromaticContact CH2-ND1 3.34Å; W570-H596 VanDerWaalsContact CH2-ND1 3.34Å; W570-H596 WeakPolarHBondContact CH2-ND1 3.14Å; W570-H596 AromaticContact CZ2-CE1 3.2Å; W570-H596 WeakPolarHBondContact CZ2-CE1 3.27Å; W570-H596 AromaticContact CZ2-ND1 3.27Å; W570-H596 VanDerWaalsContact CZ2-ND1 3.27Å; W570-H596 WeakPolarHBondContact CZ2-ND1 3.26Å; W570-H596 AromaticContact CZ3-ND1 3.31Å; W570-H596 VanDerWaalsContact CZ3-ND1 3.31Å; W570-H596 WeakPolarHBondContact CZ3-ND1 3.34Å; W570-H596 AromaticContact NE1-CE1 3.74Å; W570-H596 AromaticContact NE1-ND1 3.82Å; W570-L606 HydrophobicContact CH2-CB 4.04Å; W570-L606 HydrophobicContact CH2-CD1 4.15Å; W570-L606 HydrophobicContact CH2-CG 4.47Å; W570-L606 HydrophobicContact CZ2-CB 4.01Å; W570-A607 HydrophobicContact CG-CB 4.5Å; W570-A607 HydrophobicContact CZ2-CB 4.28Å
571	L	93.5	Very high	91.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-35.1	168.7	-63.9	174.4	0	0	0	111.4	F471 L497 I498 M500 P508 V560 D562 D569	F471-L571 VanDerWaalsContact CD1-O 3.32Å; F471-L571 WeakPolarHBondContact CD1-O 3.38Å; L497-L571 HydrophobicContact CD1-CD1 4.21Å; I498-L571 HydrophobicContact CD1-CD2 4.28Å; I498-L571 HydrophobicContact CG1-CB 4.45Å; I498-L571 HydrophobicContact CG1-CD2 3.53Å; I498-L571 VanDerWaalsContact O-CD2 3.31Å; I498-L571 WeakPolarHBondContact O-CD2 3.38Å; M500-L571 HydrophobicContact CB-CD2 4.21Å; M500-L571 HydrophobicContact CG-CD2 3.29Å; M500-L571 HydrophobicContact CG-CG 4.47Å; P508-L571 HydrophobicContact CB-CD1 3.76Å; V560-L571 HydrophobicContact CB-CB 4.23Å; V560-L571 HydrophobicContact CG1-CB 4.03Å; V560-L571 HydrophobicContact CG1-CD1 4.03Å; V560-L571 WeakPolarHBondContact O-CB 3.5Å; V560-L571 PolarHBondContact O-N 2.65Å; D562-L571 HydrophobicContact CB-CD1 4.02Å; D562-L571 HydrophobicContact CB-CD2 4.01Å; D562-L571 HydrophobicContact CB-CG 3.88Å; D569-L571 PolarHBondContact O-N 3.01Å
572	G	94.5	Very high	90.9	Very high	1 Å²	1	36 Å²	36	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	169.3	176.3	0	0	0	0	0	112.3	V560 G594	V560-G572 PolarHBondContact N-O 3.13Å; V560-G572 PolarHBondContact O-N 3.43Å; G572-G594 CarbonylContact C-O 3.57Å; G572-G594 WeakPolarHBondContact CA-O 3.41Å
573	E	95.4	Very high	90.6	Very high	9 Å²	9	39.2 Å²	39.2	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.9	173.4	71.9	170.1	-146.1	0	0	112.9	R557 L558 W570 R575 G594 H596	R557-E573 IonicContact CZ-OE2 3.85Å; R557-E573 IonicContact NE-OE2 3.95Å; R557-E573 PolarHBondContact NE-OE2 2.75Å; R557-E573 VanDerWaalsContact NE-OE2 3.14Å; R557-E573 IonicContact NH2-OE2 3.82Å; R557-E573 PolarHBondContact NH2-OE2 3.14Å; L558-E573 CarbonylContact O-C 3.48Å; L558-E573 WeakPolarHBondContact O-CA 3.07Å; W570-E573 HydrophobicContact CZ3-CB 4.29Å; E573-R575 IonicContact OE1-CZ 2.94Å; E573-R575 IonicContact OE1-NE 3.7Å; E573-R575 PolarHBondContact OE1-NE 2.94Å; E573-R575 IonicContact OE1-NH2 3.55Å; E573-R575 IonicContact OE2-NH2 3.18Å; E573-G594 PolarHBondContact N-O 3.23Å; E573-G594 PolarHBondContact O-N 3.29Å; E573-H596 IonicContact OE2-ND1 3.39Å
574	Y	95.9	Very high	90.5	Very high	59 Å²	59	42.5 Å²	42.5	23%	0.231	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	167.2	-172.9	-105.1	0	0	0	110.1	F476 R557 L558 L576 V591	F476-Y574 HydrophobicContact CE1-CD1 4.26Å; F476-Y574 HydrophobicContact CE1-CE1 4.47Å; F476-Y574 HydrophobicContact CZ-CD1 4.17Å; F476-Y574 HydrophobicContact CZ-CE1 4.13Å; R557-Y574 WeakPolarHBondContact CA-O 3.42Å; L558-Y574 HydrophobicContact CD1-CD1 4.44Å; L558-Y574 PolarHBondContact N-O 2.67Å; L558-Y574 PolarHBondContact O-N 3.29Å; Y574-L576 HydrophobicContact CD1-CB 4.33Å; Y574-L576 HydrophobicContact CE1-CB 3.86Å; Y574-L576 HydrophobicContact CE1-CD1 4.23Å; Y574-V591 HydrophobicContact CD1-CB 4.41Å; Y574-V591 HydrophobicContact CD1-CG1 4.42Å; Y574-V591 HydrophobicContact CD1-CG2 3.83Å; Y574-V591 HydrophobicContact CD2-CB 3.83Å; Y574-V591 HydrophobicContact CD2-CG1 4.42Å; Y574-V591 HydrophobicContact CD2-CG2 3.71Å; Y574-V591 HydrophobicContact CE1-CB 4.22Å; Y574-V591 HydrophobicContact CE1-CG1 3.82Å; Y574-V591 HydrophobicContact CE1-CG2 4.09Å; Y574-V591 HydrophobicContact CE2-CB 3.65Å; Y574-V591 HydrophobicContact CE2-CG1 3.86Å; Y574-V591 HydrophobicContact CE2-CG2 4.01Å; Y574-V591 HydrophobicContact CG-CB 4.22Å; Y574-V591 HydrophobicContact CG-CG2 3.62Å
575	R	94.7	Very high	90.7	Very high	80 Å²	80	46.8 Å²	46.8	30%	0.302	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.9	178.9	-67.7	-176.7	-175.3	-124.5	-3.5	109	L515 T555 L556 R557 E573 E603	L515-R575 VanDerWaalsContact CD1-NH1 3.28Å; T555-R575 HydrophobicContact CG2-CB 3.88Å; T555-R575 HydrophobicContact CG2-CG 4.5Å; L556-R575 WeakPolarHBondContact O-CA 3.42Å; R557-R575 HydrophobicContact CB-CG 4.5Å; R557-R575 HydrophobicContact CG-CG 4.24Å; E573-R575 IonicContact OE1-CZ 2.94Å; E573-R575 IonicContact OE1-NE 3.7Å; E573-R575 PolarHBondContact OE1-NE 2.94Å; E573-R575 IonicContact OE1-NH2 3.55Å; E573-R575 IonicContact OE2-NH2 3.18Å; R575-E603 IonicContact CZ-OE1 3.12Å; R575-E603 IonicContact NH1-OE1 3.71Å; R575-E603 IonicContact NH2-OE1 3.79Å; R575-E603 PolarHBondContact NH2-OE1 2.94Å; R575-E603 IonicContact NH2-OE2 2.67Å
576	L	94.7	Very high	91.1	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.7	-179.8	-178.4	67.8	0	0	0	110.8	F476 L478 T555 L556 Y574 L578 F589	F476-L576 HydrophobicContact CE2-CD2 4.36Å; F476-L576 HydrophobicContact CZ-CD2 4.5Å; L478-L576 HydrophobicContact CD1-CD2 3.27Å; T555-L576 CarbonylContact C-O 3.56Å; T555-L576 VanDerWaalsContact CA-O 3.28Å; T555-L576 WeakPolarHBondContact CA-O 3.4Å; L556-L576 PolarHBondContact N-O 2.9Å; L556-L576 PolarHBondContact O-N 3.47Å; Y574-L576 HydrophobicContact CD1-CB 4.33Å; Y574-L576 HydrophobicContact CE1-CB 3.86Å; Y574-L576 HydrophobicContact CE1-CD1 4.23Å; L576-L578 PolarHBondContact O-N 3.41Å; L576-F589 HydrophobicContact CD1-CD1 4.42Å; L576-F589 HydrophobicContact CD1-CE1 3.7Å; L576-F589 HydrophobicContact CD1-CZ 4.2Å; L576-F589 HydrophobicContact CD2-CD1 4.44Å; L576-F589 HydrophobicContact CD2-CE1 3.79Å; L576-F589 HydrophobicContact CD2-CE2 4.02Å; L576-F589 HydrophobicContact CD2-CZ 3.55Å; L576-F589 HydrophobicContact CG-CE1 4.42Å
577	Q	94.4	Very high	91.4	Very high	110 Å²	110	50.2 Å²	50.2	51%	0.514	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.2	169.8	-66.8	179.7	-0.8	0	0	109.8	S579 Q580	Q577-S579 PolarHBondContact O-N 2.97Å; Q577-Q580 WeakPolarHBondContact O-CB 3.06Å; Q577-Q580 WeakPolarHBondContact O-CG 3.44Å; Q577-Q580 PolarHBondContact O-N 3.47Å
578	L	93.8	Very high	91.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-73.7	-11	-174.6	-65.1	-174.1	0	0	0	113.5	L478 L487 L514 F546 I551 K554 L556 L576 Q580 L581	L478-L578 HydrophobicContact CD1-CD2 4.48Å; L487-L578 HydrophobicContact CD2-CD1 3.86Å; L487-L578 HydrophobicContact CD2-CD2 4.39Å; L514-L578 HydrophobicContact CD1-CD1 3.49Å; L514-L578 VanDerWaalsContact CD1-CD1 3.49Å; F546-L578 HydrophobicContact CE2-CD1 3.78Å; F546-L578 HydrophobicContact CZ-CD1 3.63Å; I551-L578 HydrophobicContact CD1-CB 4.23Å; I551-L578 HydrophobicContact CG1-CB 3.56Å; K554-L578 HydrophobicContact CB-CB 4.4Å; K554-L578 HydrophobicContact CB-CD1 3.92Å; K554-L578 HydrophobicContact CB-CG 4.4Å; K554-L578 PolarHBondContact O-N 3.22Å; L556-L578 HydrophobicContact CB-CD2 3.76Å; L556-L578 HydrophobicContact CB-CG 4.32Å; L576-L578 PolarHBondContact O-N 3.41Å; L578-Q580 PolarHBondContact O-N 3Å; L578-Q580 VanDerWaalsContact O-N 3.12Å; L578-L581 HydrophobicContact CD2-CD1 3.75Å; L578-L581 HydrophobicContact CD2-CG 4.38Å; L578-L581 WeakPolarHBondContact O-CB 3.34Å; L578-L581 PolarHBondContact O-N 3.45Å; L578-L581 VanDerWaalsContact O-N 3.08Å
579	S	90.1	Very high	92.2	Very high	61 Å²	61	56.4 Å²	56.4	43%	0.427	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-55.3	-22.2	167.6	49.6	0	0	0	0	113.6	Q577 L581	Q577-S579 PolarHBondContact O-N 2.97Å; S579-L581 VanDerWaalsContact C-N 3.29Å
580	Q	86.5	Confident	92.7	Very high	109 Å²	109	58.2 Å²	58.2	51%	0.509	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-80.2	-11.1	-179.4	-58	178.2	22.1	0	0	112.9	Q577 L578	Q577-Q580 WeakPolarHBondContact O-CB 3.06Å; Q577-Q580 WeakPolarHBondContact O-CG 3.44Å; Q577-Q580 PolarHBondContact O-N 3.47Å; L578-Q580 PolarHBondContact O-N 3Å; L578-Q580 VanDerWaalsContact O-N 3.12Å
581	L	88.3	Confident	92.9	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.068	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-83.1	135.9	179.4	-65.7	-176.2	0	0	0	111.6	L478 L487 L578 S579 T587 F589	L478-L581 HydrophobicContact CB-CD1 4.15Å; L478-L581 HydrophobicContact CB-CD2 3.88Å; L478-L581 HydrophobicContact CD1-CD1 3.99Å; L478-L581 HydrophobicContact CD1-CD2 3.93Å; L478-L581 HydrophobicContact CD1-CG 4.41Å; L487-L581 HydrophobicContact CD1-CD1 3.97Å; L578-L581 HydrophobicContact CD2-CD1 3.75Å; L578-L581 HydrophobicContact CD2-CG 4.38Å; L578-L581 WeakPolarHBondContact O-CB 3.34Å; L578-L581 PolarHBondContact O-N 3.45Å; L578-L581 VanDerWaalsContact O-N 3.08Å; S579-L581 VanDerWaalsContact C-N 3.29Å; L581-T587 HydrophobicContact CD2-CG2 4.42Å; L581-F589 HydrophobicContact CD2-CE2 4.08Å; L581-F589 HydrophobicContact CD2-CZ 3.94Å
582	I	89.3	Confident	93	Very high	91 Å²	91	59.5 Å²	59.5	47%	0.467	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-89.3	120.5	165.9	-62.6	167.7	0	0	0	106.9	R585	I582-R585 HydrophobicContact CB-CB 4.07Å; I582-R585 HydrophobicContact CG2-CB 3.98Å; I582-R585 WeakPolarHBondContact O-CB 3.33Å; I582-R585 PolarHBondContact O-N 2.99Å
583	P	87.6	Confident	93.1	Very high	66 Å²	66	59.7 Å²	59.7	43%	0.429	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	147.4	178.7	-24.2	33.4	0	0	0	112.7	T482 R585	T482-P583 HydrophobicContact CG2-CB 3.64Å; P583-R585 PolarHBondContact O-N 2.72Å
584	N	88.9	Confident	93	Very high	85 Å²	85	60.4 Å²	60.4	46%	0.455	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	19.9	-178.5	-50.2	-38.2	0	0	0	114.7	Y479 H480 T482	Y479-N584 VanDerWaalsContact CE2-C 3.47Å; Y479-N584 HydrophobicContact CE2-CB 4.46Å; H480-N584 WeakPolarHBondContact O-CA 3.41Å; H480-N584 PolarHBondContact O-N 3.48Å; H480-N584 PolarHBondContact O-OD1 3.15Å; T482-N584 PolarHBondContact N-OD1 2.96Å; T482-N584 VanDerWaalsContact N-OD1 3.09Å; T482-N584 VanDerWaalsContact OG1-CG 3.24Å; T482-N584 PolarHBondContact OG1-ND2 2.89Å; T482-N584 PolarHBondContact OG1-OD1 2.76Å
585	R	91.8	Very high	92.7	Very high	129 Å²	129	61.5 Å²	61.5	49%	0.487	33%	0.331	S	S	.	.	S	Bend	trans	-121.7	128.9	175.2	-173.8	-177.9	175.9	-179.8	0.1	110.1	I582 P583 T587	I582-R585 HydrophobicContact CB-CB 4.07Å; I582-R585 HydrophobicContact CG2-CB 3.98Å; I582-R585 WeakPolarHBondContact O-CB 3.33Å; I582-R585 PolarHBondContact O-N 2.99Å; P583-R585 PolarHBondContact O-N 2.72Å; R585-T587 PolarHBondContact O-N 3.14Å; R585-T587 PolarHBondContact O-OG1 2.9Å
586	L	93.2	Very high	92.1	Very high	88 Å²	88	60.1 Å²	60.1	46%	0.461	33%	0.327	S	S	.	.			trans	-65.6	128.2	169.7	-77.3	162.1	0	0	0	110	L422 T477 L478 Y479	L422-L586 HydrophobicContact CD2-CD1 4.28Å; L422-L586 HydrophobicContact CD2-CD2 3.6Å; T477-L586 HydrophobicContact CG2-CB 4.3Å; T477-L586 HydrophobicContact CG2-CD2 3.57Å; L478-L586 WeakPolarHBondContact O-CA 3.41Å; Y479-L586 HydrophobicContact CD2-CD2 4.37Å; Y479-L586 HydrophobicContact CD2-CG 4.19Å; Y479-L586 HydrophobicContact CG-CD2 4.24Å
587	T	93.8	Very high	91.2	Very high	33 Å²	33	66.2 Å²	66.2	20%	0.202	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.5	179.4	-51.5	0	0	0	0	109.8	T477 L478 L581 R585 F589	T477-T587 CarbonylContact C-O 3.48Å; T477-T587 WeakPolarHBondContact CA-O 3.49Å; L478-T587 PolarHBondContact N-O 2.8Å; L478-T587 PolarHBondContact O-N 2.75Å; L581-T587 HydrophobicContact CD2-CG2 4.42Å; R585-T587 PolarHBondContact O-N 3.14Å; R585-T587 PolarHBondContact O-OG1 2.9Å; T587-F589 HydrophobicContact CG2-CD2 4.38Å; T587-F589 HydrophobicContact CG2-CE1 4.36Å; T587-F589 HydrophobicContact CG2-CE2 3.54Å; T587-F589 HydrophobicContact CG2-CZ 3.52Å; T587-F589 VanDerWaalsContact O-CD2 3.28Å; T587-F589 WeakPolarHBondContact O-CD2 3.25Å; T587-F589 VanDerWaalsContact O-CE2 3.3Å; T587-F589 WeakPolarHBondContact O-CE2 3.09Å
588	D	95	Very high	89.8	Confident	126 Å²	126	66.3 Å²	66.3	67%	0.674	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	142	179.6	-62.8	-22.2	0	0	0	111.5	T477	T477-D588 WeakPolarHBondContact CB-OD1 3.46Å; T477-D588 WeakPolarHBondContact CG2-OD1 3.41Å; T477-D588 PolarHBondContact OG1-OD1 2.85Å
589	F	96.3	Very high	88.5	Confident	26 Å²	26	69.6 Å²	69.6	11%	0.114	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136.7	-179.1	-65.4	-89.8	0	0	0	110.7	Y475 F476 L478 L576 L581 T587 V591	Y475-F589 WeakPolarHBondContact CA-O 3.34Å; F476-F589 HydrophobicContact CD1-CB 3.82Å; F476-F589 HydrophobicContact CD2-CB 4.03Å; F476-F589 AromaticContact CD2-CD2 3.86Å; F476-F589 HydrophobicContact CD2-CD2 3.86Å; F476-F589 HydrophobicContact CD2-CG 4.23Å; F476-F589 HydrophobicContact CE1-CB 3.41Å; F476-F589 VanDerWaalsContact CE1-CB 3.41Å; F476-F589 HydrophobicContact CE1-CG 4.09Å; F476-F589 HydrophobicContact CE2-CB 3.65Å; F476-F589 HydrophobicContact CE2-CD1 4.37Å; F476-F589 AromaticContact CE2-CD2 3.33Å; F476-F589 HydrophobicContact CE2-CD2 3.33Å; F476-F589 HydrophobicContact CE2-CE2 4.06Å; F476-F589 AromaticContact CE2-CG 3.52Å; F476-F589 HydrophobicContact CE2-CG 3.52Å; F476-F589 HydrophobicContact CG-CB 4.11Å; F476-F589 HydrophobicContact CZ-CB 3.32Å; F476-F589 HydrophobicContact CZ-CD1 4.04Å; F476-F589 AromaticContact CZ-CD2 3.8Å; F476-F589 HydrophobicContact CZ-CD2 3.8Å; F476-F589 AromaticContact CZ-CG 3.45Å; F476-F589 HydrophobicContact CZ-CG 3.45Å; F476-F589 VanDerWaalsContact CZ-CG 3.45Å; F476-F589 PolarHBondContact N-O 3.5Å; F476-F589 VanDerWaalsContact N-O 3.09Å; F476-F589 PolarHBondContact O-N 3.49Å; L478-F589 HydrophobicContact CB-CE2 4.08Å; L478-F589 HydrophobicContact CD1-CD2 4.4Å; L478-F589 HydrophobicContact CD1-CE2 3.79Å; L478-F589 HydrophobicContact CD1-CZ 4.35Å; L478-F589 HydrophobicContact CG-CD2 4.22Å; L478-F589 HydrophobicContact CG-CE2 3.86Å; L576-F589 HydrophobicContact CD1-CD1 4.42Å; L576-F589 HydrophobicContact CD1-CE1 3.7Å; L576-F589 HydrophobicContact CD1-CZ 4.2Å; L576-F589 HydrophobicContact CD2-CD1 4.44Å; L576-F589 HydrophobicContact CD2-CE1 3.79Å; L576-F589 HydrophobicContact CD2-CE2 4.02Å; L576-F589 HydrophobicContact CD2-CZ 3.55Å; L576-F589 HydrophobicContact CG-CE1 4.42Å; L581-F589 HydrophobicContact CD2-CE2 4.08Å; L581-F589 HydrophobicContact CD2-CZ 3.94Å; T587-F589 HydrophobicContact CG2-CD2 4.38Å; T587-F589 HydrophobicContact CG2-CE1 4.36Å; T587-F589 HydrophobicContact CG2-CE2 3.54Å; T587-F589 HydrophobicContact CG2-CZ 3.52Å; T587-F589 VanDerWaalsContact O-CD2 3.28Å; T587-F589 WeakPolarHBondContact O-CD2 3.25Å; T587-F589 VanDerWaalsContact O-CE2 3.3Å; T587-F589 WeakPolarHBondContact O-CE2 3.09Å; F589-V591 HydrophobicContact CB-CG1 4.15Å
590	T	97.1	Very high	87	Confident	87 Å²	87	73.7 Å²	73.7	53%	0.534	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	108.8	167	-61.7	0	0	0	0	106.3	V473 L474 Y475	V473-T590 HydrophobicContact CG1-CG2 3.66Å; L474-T590 WeakPolarHBondContact O-CA 3.41Å; Y475-T590 HydrophobicContact CD1-CG2 3.85Å; Y475-T590 WeakPolarHBondContact CD1-OG1 3.47Å; Y475-T590 HydrophobicContact CE1-CG2 3.45Å; Y475-T590 VanDerWaalsContact CE1-CG2 3.45Å
591	V	95.5	Very high	85.4	Confident	8 Å²	8	81.1 Å²	81.1	5%	0.048	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.2	-165.7	-57.6	0	0	0	0	111.1	V473 L474 F476 Y574 F589	V473-V591 CarbonylContact C-O 3.57Å; V473-V591 WeakPolarHBondContact CA-O 3.05Å; V473-V591 WeakPolarHBondContact CG1-O 3.27Å; L474-V591 HydrophobicContact CB-CG2 4.18Å; L474-V591 PolarHBondContact N-O 2.94Å; L474-V591 PolarHBondContact O-N 2.96Å; F476-V591 HydrophobicContact CE1-CG1 4.28Å; F476-V591 HydrophobicContact CE1-CG2 3.75Å; Y574-V591 HydrophobicContact CD1-CB 4.41Å; Y574-V591 HydrophobicContact CD1-CG1 4.42Å; Y574-V591 HydrophobicContact CD1-CG2 3.83Å; Y574-V591 HydrophobicContact CD2-CB 3.83Å; Y574-V591 HydrophobicContact CD2-CG1 4.42Å; Y574-V591 HydrophobicContact CD2-CG2 3.71Å; Y574-V591 HydrophobicContact CE1-CB 4.22Å; Y574-V591 HydrophobicContact CE1-CG1 3.82Å; Y574-V591 HydrophobicContact CE1-CG2 4.09Å; Y574-V591 HydrophobicContact CE2-CB 3.65Å; Y574-V591 HydrophobicContact CE2-CG1 3.86Å; Y574-V591 HydrophobicContact CE2-CG2 4.01Å; Y574-V591 HydrophobicContact CG-CB 4.22Å; Y574-V591 HydrophobicContact CG-CG2 3.62Å; F589-V591 HydrophobicContact CB-CG1 4.15Å
592	P	96.7	Very high	83.7	Confident	67 Å²	67	84.2 Å²	84.2	44%	0.435	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.5	167.7	30	-33.2	0	0	0	109.2	A469	A469-P592 HydrophobicContact CB-CB 3.93Å
593	L	96.6	Very high	82.4	Confident	6 Å²	6	81.8 Å²	81.8	3%	0.031	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-76.2	140.3	172.5	-68.2	168.5	0	0	0	109.7	F471 G472 L474 L497 V560	F471-L593 HydrophobicContact CB-CB 3.76Å; F471-L593 WeakPolarHBondContact O-CD1 3.44Å; G472-L593 PolarHBondContact O-N 2.84Å; L474-L593 HydrophobicContact CB-CD1 4.45Å; L474-L593 HydrophobicContact CB-CD2 3.98Å; L474-L593 HydrophobicContact CB-CG 4.2Å; L474-L593 HydrophobicContact CD2-CD2 4.3Å; L497-L593 HydrophobicContact CD2-CD1 3.61Å; V560-L593 HydrophobicContact CB-CD1 4.18Å; V560-L593 HydrophobicContact CG2-CD1 3.67Å; V560-L593 HydrophobicContact CG2-CD2 3.74Å; V560-L593 HydrophobicContact CG2-CG 4.39Å
594	G	93.1	Very high	81.5	Confident	24 Å²	24	85.6 Å²	85.6	25%	0.247	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-99.5	166.9	173.8	0	0	0	0	0	112.1	G572 E573	G572-G594 CarbonylContact C-O 3.57Å; G572-G594 WeakPolarHBondContact CA-O 3.41Å; E573-G594 PolarHBondContact N-O 3.23Å; E573-G594 PolarHBondContact O-N 3.29Å
595	P	90.4	Very high	80.9	Confident	82 Å²	82	84.2 Å²	84.2	53%	0.532	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-63.5	147.3	170.7	27.5	-33.1	0	0	0	110.5	F471 K597	F471-P595 HydrophobicContact CE1-CB 4.3Å; F471-P595 HydrophobicContact CE2-CB 3.81Å; F471-P595 HydrophobicContact CE2-CG 4.15Å; F471-P595 HydrophobicContact CZ-CB 3.62Å; F471-P595 HydrophobicContact CZ-CG 4.42Å; P595-K597 PolarHBondContact O-N 2.9Å
596	H	81.8	Confident	80.4	Confident	50 Å²	50	79.3 Å²	79.3	23%	0.231	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-59	126	170.4	174.6	84	0	0	0	110.7	R557 W570 E573	R557-H596 PolarHBondContact NH2-CE1 2.58Å; R557-H596 PolarHBondContact NH2-ND1 3.25Å; W570-H596 HydrophobicContact CB-CB 4.05Å; W570-H596 HydrophobicContact CD2-CB 3.84Å; W570-H596 AromaticContact CD2-CE1 3.85Å; W570-H596 AromaticContact CD2-CG 3.59Å; W570-H596 AromaticContact CD2-ND1 3.18Å; W570-H596 AromaticContact CE2-CE1 3.3Å; W570-H596 AromaticContact CE2-CG 3.83Å; W570-H596 AromaticContact CE2-ND1 3.15Å; W570-H596 HydrophobicContact CE3-CB 3.9Å; W570-H596 AromaticContact CE3-CG 3.85Å; W570-H596 AromaticContact CE3-ND1 3.26Å; W570-H596 VanDerWaalsContact CE3-ND1 3.26Å; W570-H596 HydrophobicContact CG-CB 3.9Å; W570-H596 AromaticContact CG-CG 3.89Å; W570-H596 AromaticContact CG-ND1 3.96Å; W570-H596 AromaticContact CH2-CE1 3.62Å; W570-H596 AromaticContact CH2-ND1 3.34Å; W570-H596 VanDerWaalsContact CH2-ND1 3.34Å; W570-H596 WeakPolarHBondContact CH2-ND1 3.14Å; W570-H596 AromaticContact CZ2-CE1 3.2Å; W570-H596 WeakPolarHBondContact CZ2-CE1 3.27Å; W570-H596 AromaticContact CZ2-ND1 3.27Å; W570-H596 VanDerWaalsContact CZ2-ND1 3.27Å; W570-H596 WeakPolarHBondContact CZ2-ND1 3.26Å; W570-H596 AromaticContact CZ3-ND1 3.31Å; W570-H596 VanDerWaalsContact CZ3-ND1 3.31Å; W570-H596 WeakPolarHBondContact CZ3-ND1 3.34Å; W570-H596 AromaticContact NE1-CE1 3.74Å; W570-H596 AromaticContact NE1-ND1 3.82Å; E573-H596 IonicContact OE2-ND1 3.39Å
597	K	75.2	Confident	79.6	Confident	130 Å²	130	75.3 Å²	75.3	57%	0.565	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-79	133.9	173.3	-67.9	-178.1	-178.7	-178.7	0	109.5	P595 I599	P595-K597 PolarHBondContact O-N 2.9Å; K597-I599 PolarHBondContact O-N 3.34Å
598	P	65.9	Low	78.6	Confident	111 Å²	111	74.8 Å²	74.8	72%	0.721	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-49.2	131.6	178.5	-26.6	32.8	0	0	0	112.1	Q600	P598-Q600 PolarHBondContact O-N 3.1Å; P598-Q600 VanDerWaalsContact O-N 3.17Å
599	I	65.6	Low	77.5	Confident	70 Å²	70	72.5 Å²	72.5	36%	0.359	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-52	119	179.7	-58	175.6	0	0	0	109.4	K597 E603 D605	K597-I599 PolarHBondContact O-N 3.34Å; I599-E603 HydrophobicContact CG2-CB 3.96Å; I599-E603 WeakPolarHBondContact CG2-O 2.79Å; I599-D605 HydrophobicContact CD1-CB 3.56Å
600	Q	59.4	Low	76.3	Confident	147 Å²	147	76 Å²	76	69%	0.687	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-75.8	152.7	172.9	-62.4	-171.9	21.5	0	0	109.8	P598 G602 E603	P598-Q600 PolarHBondContact O-N 3.1Å; P598-Q600 VanDerWaalsContact O-N 3.17Å; Q600-G602 PolarHBondContact O-N 2.96Å; Q600-E603 PolarHBondContact O-N 2.88Å
601	R	51.8	Low	75.8	Confident	264 Å²	264	74.6 Å²	74.6	100%	0.996	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	117.4	178.2	-76.6	-175.3	177.4	-179.7	-1.2	110.2
602	G	52.3	Low	75.6	Confident	79 Å²	79	74.2 Å²	74.2	81%	0.814	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-6.9	178.9	0	0	0	0	0	115.6	Q600	Q600-G602 PolarHBondContact O-N 2.96Å
603	E	63.6	Low	75.5	Confident	40 Å²	40	74.7 Å²	74.7	19%	0.187	40%	0.395	C	S	.	.			trans	-84.3	136.3	172.1	-164.8	172	-169.7	0	0	109.6	R557 R575 I599 Q600	R557-E603 IonicContact CZ-OE1 3.01Å; R557-E603 IonicContact NH1-OE1 3.86Å; R557-E603 PolarHBondContact NH1-OE1 2.81Å; R575-E603 IonicContact CZ-OE1 3.12Å; R575-E603 IonicContact NH1-OE1 3.71Å; R575-E603 IonicContact NH2-OE1 3.79Å; R575-E603 PolarHBondContact NH2-OE1 2.94Å; R575-E603 IonicContact NH2-OE2 2.67Å; I599-E603 HydrophobicContact CG2-CB 3.96Å; I599-E603 WeakPolarHBondContact CG2-O 2.79Å; Q600-E603 PolarHBondContact O-N 2.88Å
604	F	68.4	Low	75.5	Confident	146 Å²	146	74.4 Å²	74.4	64%	0.64	39%	0.393	S	S	*	.			trans	-75.2	137.6	179.3	-71.3	-89.1	0	0	0	110.7	L606	F604-L606 PolarHBondContact O-N 2.91Å; F604-L606 VanDerWaalsContact O-N 3.17Å
605	D	75.9	Confident	75.7	Confident	56 Å²	56	74 Å²	74	30%	0.299	39%	0.385	S	S	.	.			trans	-73.1	104.9	170.4	-168.9	-9.7	0	0	0	109.6	I599 A607 C608	I599-D605 HydrophobicContact CD1-CB 3.56Å; D605-A607 VanDerWaalsContact C-N 3.27Å; D605-A607 PolarHBondContact O-N 2.89Å; D605-A607 PolarHBondContact OD1-N 2.94Å; D605-C608 CarbonylContact O-C 3.54Å; D605-C608 PolarHBondContact OD1-N 2.69Å
606	L	80.1	Confident	76.1	Confident	25 Å²	25	70.2 Å²	70.2	13%	0.131	36%	0.36	C	S	.	.	S	Bend	trans	-68	-27.7	178.7	-66.3	-179.7	0	0	0	112.5	V511 Q513 T523 A559 L561 W570 F604	V511-L606 HydrophobicContact CG1-CD1 4.21Å; V511-L606 HydrophobicContact CG1-CD2 4.29Å; Q513-L606 HydrophobicContact CB-CD1 4.35Å; T523-L606 HydrophobicContact CG2-CD2 4.47Å; A559-L606 HydrophobicContact CB-CD1 3.97Å; L561-L606 HydrophobicContact CD1-CB 4.45Å; W570-L606 HydrophobicContact CH2-CB 4.04Å; W570-L606 HydrophobicContact CH2-CD1 4.15Å; W570-L606 HydrophobicContact CH2-CG 4.47Å; W570-L606 HydrophobicContact CZ2-CB 4.01Å; F604-L606 PolarHBondContact O-N 2.91Å; F604-L606 VanDerWaalsContact O-N 3.17Å
607	A	76.3	Confident	76.8	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.033	35%	0.349	C	S	.	.	S	Bend	trans	-83.3	-32.3	-176.6	0	0	0	0	0	111.5	L561 G567 S568 W570 D605	L561-A607 HydrophobicContact CD2-CB 3.95Å; G567-A607 CarbonylContact C-O 3.57Å; S568-A607 PolarHBondContact N-O 2.7Å; S568-A607 WeakPolarHBondContact O-CB 3.11Å; W570-A607 HydrophobicContact CG-CB 4.5Å; W570-A607 HydrophobicContact CZ2-CB 4.28Å; D605-A607 VanDerWaalsContact C-N 3.27Å; D605-A607 PolarHBondContact O-N 2.89Å; D605-A607 PolarHBondContact OD1-N 2.94Å
608	C	74.4	Confident	77.9	Confident	23 Å²	23	61.7 Å²	61.7	16%	0.155	32%	0.323	C	S	.	.	S	Bend	trans	-138	72.3	-178.9	-163.6	0	0	0	0	111.4	D605 T610 Q744 S746	D605-C608 CarbonylContact O-C 3.54Å; D605-C608 PolarHBondContact OD1-N 2.69Å; C608-T610 PolarHBondContact O-N 3.49Å; C608-Q744 VanDerWaalsContact SG-CG 3.56Å; C608-S746 PolarHBondContact SG-OG 3.13Å
609	P	71.1	Confident	79.3	Confident	77 Å²	77	56.4 Å²	56.4	50%	0.5	29%	0.288	S	S	.	.			trans	-59.1	113.4	174.6	23	-31.5	0	0	0	109	R611	P609-R611 PolarHBondContact O-N 3.07Å
610	T	70.6	Confident	80.8	Confident	99 Å²	99	53.4 Å²	53.4	61%	0.607	27%	0.272	S	S	*	.			trans	-62.3	120	-169.9	166	0	0	0	0	112	C608 G612 Q744	C608-T610 PolarHBondContact O-N 3.49Å; T610-G612 PolarHBondContact OG1-N 3.15Å; T610-Q744 VanDerWaalsContact CA-NE2 3.25Å; T610-Q744 PolarHBondContact OG1-NE2 2.87Å
611	R	86.7	Confident	82.5	Confident	59 Å²	59	49.3 Å²	49.3	22%	0.223	26%	0.255	C	S	.	.			trans	-101.9	20.3	168.1	-53.9	-165.9	64.7	125.1	-2.3	112.8	P609 A638 M640 F710 I711 L745	P609-R611 PolarHBondContact O-N 3.07Å; R611-A638 PolarHBondContact O-N 3.12Å; R611-M640 VanDerWaalsContact NH2-CE 3.26Å; R611-M640 PolarHBondContact NH2-SD 3.22Å; R611-F710 PolarHBondContact NH2-O 3.3Å; R611-I711 WeakPolarHBondContact CB-O 3.49Å; R611-I711 WeakPolarHBondContact CD-O 3.46Å; R611-I711 PolarHBondContact NE-O 2.88Å; R611-L745 PolarHBondContact N-O 3.18Å
612	G	91.3	Very high	84.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.			trans	102.6	-176.3	-172.9	0	0	0	0	0	112.7	T610 A635 N636 Q744 L745	T610-G612 PolarHBondContact OG1-N 3.15Å; G612-A635 WeakPolarHBondContact CA-O 3.32Å; G612-N636 WeakPolarHBondContact CA-O 3.41Å; G612-N636 PolarHBondContact N-O 2.89Å; G612-Q744 PolarHBondContact O-NE2 2.85Å; G612-L745 VanDerWaalsContact O-CB 3.28Å; G612-L745 WeakPolarHBondContact O-CB 3.2Å; G612-L745 PolarHBondContact O-N 3.4Å
613	K	94.2	Very high	86.5	Confident	76 Å²	76	44.3 Å²	44.3	33%	0.33	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.2	-179.4	56.3	178.6	-179.8	-172.6	0	111	C634 A635 W742 F743	K613-C634 CarbonylContact O-C 3.6Å; K613-C634 WeakPolarHBondContact O-CA 3.32Å; K613-C634 WeakPolarHBondContact O-CB 3.11Å; K613-A635 HydrophobicContact CG-CB 4.05Å; K613-A635 PolarHBondContact N-O 2.88Å; K613-A635 PolarHBondContact O-N 2.86Å; K613-W742 HydrophobicContact CB-CE3 3.95Å; K613-W742 HydrophobicContact CB-CZ3 4.29Å; K613-W742 HydrophobicContact CD-CD2 4.17Å; K613-W742 HydrophobicContact CD-CE3 3.73Å; K613-W742 HydrophobicContact CD-CZ3 4.03Å; K613-W742 HydrophobicContact CG-CE3 3.64Å; K613-W742 HydrophobicContact CG-CZ3 3.66Å; K613-F743 CarbonylContact C-O 3.54Å; K613-F743 VanDerWaalsContact CA-O 3.23Å; K613-F743 WeakPolarHBondContact CA-O 3.31Å; K613-F743 WeakPolarHBondContact CB-O 3.27Å
614	I	97.2	Very high	88	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.5	179.6	-173.1	166.7	0	0	0	110.2	L616 V631 V650 I697 V699 L714 W742 F743 L745	I614-L616 HydrophobicContact CD1-CD2 3.79Å; I614-L616 HydrophobicContact CD1-CG 4.47Å; I614-L616 HydrophobicContact CG1-CD2 3.86Å; I614-L616 HydrophobicContact CG1-CG 4.19Å; I614-L616 HydrophobicContact CG2-CG 4.44Å; I614-V631 HydrophobicContact CD1-CG1 4.23Å; I614-V650 HydrophobicContact CD1-CG1 4.13Å; I614-V650 HydrophobicContact CD1-CG2 4.06Å; I614-I697 HydrophobicContact CD1-CG2 4.11Å; I614-V699 HydrophobicContact CD1-CG2 4.19Å; I614-L714 HydrophobicContact CG2-CD2 3.44Å; I614-L714 VanDerWaalsContact CG2-CD2 3.44Å; I614-W742 VanDerWaalsContact C-CE3 3.4Å; I614-W742 CarbonylContact O-C 3.5Å; I614-W742 WeakPolarHBondContact O-CA 3.4Å; I614-F743 HydrophobicContact CG2-CB 4.09Å; I614-F743 PolarHBondContact N-O 2.82Å; I614-F743 PolarHBondContact O-N 2.88Å; I614-L745 HydrophobicContact CB-CD1 4.5Å; I614-L745 HydrophobicContact CB-CD2 4.3Å; I614-L745 HydrophobicContact CB-CG 4.46Å; I614-L745 HydrophobicContact CG2-CD2 3.8Å; I614-L745 HydrophobicContact CG2-CG 4.26Å
615	Q	97.9	Very high	89.3	Confident	17 Å²	17	49.1 Å²	49.1	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.6	173.4	-160.8	-176.5	9.7	0	0	109.1	I632 R633 E740 A741 W742	Q615-I632 HydrophobicContact CB-CB 4.28Å; Q615-I632 HydrophobicContact CG-CD1 4.14Å; Q615-I632 WeakPolarHBondContact O-CB 3.23Å; Q615-I632 PolarHBondContact O-N 3.1Å; Q615-I632 VanDerWaalsContact O-N 3.11Å; Q615-R633 HydrophobicContact CB-CG 3.99Å; Q615-R633 PolarHBondContact N-O 2.83Å; Q615-E740 HydrophobicContact CG-CG 4.37Å; Q615-E740 PolarHBondContact NE2-OE1 2.8Å; Q615-A741 WeakPolarHBondContact CA-O 3.44Å; Q615-W742 HydrophobicContact CB-CD2 3.8Å; Q615-W742 HydrophobicContact CB-CE3 3.73Å; Q615-W742 HydrophobicContact CB-CH2 4.02Å; Q615-W742 HydrophobicContact CB-CZ2 4.11Å; Q615-W742 HydrophobicContact CB-CZ3 3.8Å; Q615-W742 HydrophobicContact CG-CD2 4.03Å; Q615-W742 HydrophobicContact CG-CE3 4.46Å; Q615-W742 HydrophobicContact CG-CG 4.34Å; Q615-W742 HydrophobicContact CG-CZ2 4.48Å
616	L	98	Very high	90.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.6	-179.6	-57.9	173.9	0	0	0	110.4	I614 E630 V631 I697 L716 E740 A741 F743	I614-L616 HydrophobicContact CD1-CD2 3.79Å; I614-L616 HydrophobicContact CD1-CG 4.47Å; I614-L616 HydrophobicContact CG1-CD2 3.86Å; I614-L616 HydrophobicContact CG1-CG 4.19Å; I614-L616 HydrophobicContact CG2-CG 4.44Å; L616-E630 CarbonylContact C-O 3.5Å; L616-E630 WeakPolarHBondContact CA-O 3.36Å; L616-V631 HydrophobicContact CD2-CB 4.39Å; L616-V631 HydrophobicContact CD2-CG1 4.46Å; L616-V631 HydrophobicContact CD2-CG2 4.02Å; L616-I697 HydrophobicContact CD1-CD1 4.15Å; L616-I697 HydrophobicContact CD1-CG1 4.22Å; L616-L716 HydrophobicContact CD1-CD1 4.3Å; L616-E740 WeakPolarHBondContact O-CA 3.34Å; L616-A741 PolarHBondContact N-O 3.02Å; L616-A741 PolarHBondContact O-N 2.88Å; L616-F743 HydrophobicContact CB-CD2 4.22Å; L616-F743 HydrophobicContact CB-CE2 3.97Å; L616-F743 HydrophobicContact CD1-CD2 3.91Å; L616-F743 HydrophobicContact CD1-CE2 4.11Å; L616-F743 HydrophobicContact CG-CD2 4.13Å; L616-F743 HydrophobicContact CG-CE2 4.34Å
617	G	97.5	Very high	91	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.9	164.2	0	0	0	0	0	109.8	V629 E630 I739	G617-V629 CarbonylContact O-C 3.45Å; G617-E630 PolarHBondContact N-O 2.93Å; G617-E630 PolarHBondContact O-N 3.37Å; G617-I739 CarbonylContact C-O 3.6Å; G617-I739 WeakPolarHBondContact CA-O 3.42Å
618	L	97	Very high	91.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.5	177.1	-58	177	0	0	0	109.9	V629 L695 L716 L727 V731 R738 I739	L618-V629 HydrophobicContact CD2-CB 4.1Å; L618-V629 HydrophobicContact CD2-CG1 3.72Å; L618-V629 HydrophobicContact CD2-CG2 3.81Å; L618-L695 HydrophobicContact CD2-CD2 4.17Å; L618-L716 HydrophobicContact CD1-CD1 3.5Å; L618-L727 HydrophobicContact CD1-CD2 3.44Å; L618-L727 VanDerWaalsContact CD1-CD2 3.44Å; L618-L727 HydrophobicContact CG-CD2 4.5Å; L618-V731 HydrophobicContact CB-CG2 3.64Å; L618-V731 HydrophobicContact CD1-CG2 4.39Å; L618-R738 CarbonylContact O-C 3.55Å; L618-R738 VanDerWaalsContact O-CA 3.31Å; L618-R738 WeakPolarHBondContact O-CA 3.32Å; L618-I739 PolarHBondContact N-O 3.44Å; L618-I739 PolarHBondContact O-N 3.19Å
619	G	96.2	Very high	93.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	164.8	171.3	0	0	0	0	0	111.8	Y628	G619-Y628 VanDerWaalsContact C-CD1 3.46Å; G619-Y628 PolarHBondContact N-O 3.07Å; G619-Y628 VanDerWaalsContact N-O 3.13Å; G619-Y628 WeakPolarHBondContact O-CD1 3.42Å; G619-Y628 PolarHBondContact O-N 3.31Å
620	Y	97	Very high	94.4	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.2	-178.8	-176	-112.9	0	0	0	110.4	E622 K625 Q626 L685 A687 V731 F732 Y736	Y620-E622 HydrophobicContact CE1-CB 4.25Å; Y620-E622 VanDerWaalsContact CE1-OE2 3.31Å; Y620-E622 WeakPolarHBondContact CE1-OE2 3.48Å; Y620-K625 WeakPolarHBondContact OH-CA 3.46Å; Y620-Q626 VanDerWaalsContact CD2-O 3.25Å; Y620-Q626 WeakPolarHBondContact CD2-O 3.31Å; Y620-L685 WeakPolarHBondContact CE2-O 3.22Å; Y620-L685 PolarHBondContact OH-O 3.49Å; Y620-A687 HydrophobicContact CE1-CB 3.79Å; Y620-A687 PolarHBondContact OH-N 3.09Å; Y620-A687 VanDerWaalsContact OH-N 3.08Å; Y620-V731 WeakPolarHBondContact CB-O 3.48Å; Y620-F732 HydrophobicContact CD1-CD1 4.32Å; Y620-F732 AromaticContact CD2-CD1 3.66Å; Y620-F732 HydrophobicContact CD2-CD1 3.66Å; Y620-F732 AromaticContact CD2-CE1 3.58Å; Y620-F732 HydrophobicContact CD2-CE1 3.58Å; Y620-F732 HydrophobicContact CE2-CD1 4.07Å; Y620-F732 HydrophobicContact CE2-CE1 4.02Å; Y620-F732 AromaticContact CG-CD1 3.8Å; Y620-F732 HydrophobicContact CG-CD1 3.8Å; Y620-F732 HydrophobicContact CG-CE1 4.15Å; Y620-Y736 AromaticContact CD1-CD1 3.57Å; Y620-Y736 HydrophobicContact CD1-CD1 3.57Å; Y620-Y736 AromaticContact CD1-CE1 3.64Å; Y620-Y736 HydrophobicContact CD1-CE1 3.64Å; Y620-Y736 HydrophobicContact CD1-CG 4.06Å; Y620-Y736 HydrophobicContact CE1-CD1 4.47Å; Y620-Y736 HydrophobicContact CE1-CE1 4.13Å; Y620-Y736 HydrophobicContact CG-CD1 4.37Å; Y620-Y736 WeakPolarHBondContact O-CB 3.48Å
621	L	95.4	Very high	95.7	Very high	61 Å²	61	41.1 Å²	41.1	32%	0.319	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	96.3	175.7	-61.4	177.5	0	0	0	108.4	D623 R624 K625 Q626 Y628 F682	L621-D623 PolarHBondContact O-N 2.91Å; L621-R624 HydrophobicContact CB-CB 4.36Å; L621-R624 PolarHBondContact O-N 2.69Å; L621-K625 WeakPolarHBondContact O-CA 3.5Å; L621-K625 PolarHBondContact O-N 2.96Å; L621-Q626 PolarHBondContact N-O 2.84Å; L621-Q626 PolarHBondContact O-N 2.82Å; L621-Q626 VanDerWaalsContact O-N 3.17Å; L621-Y628 HydrophobicContact CD1-CD1 4.42Å; L621-Y628 HydrophobicContact CD2-CD1 4.32Å; L621-Y628 HydrophobicContact CD2-CE1 4.26Å; L621-Y628 HydrophobicContact CG-CD1 3.97Å; L621-Y628 HydrophobicContact CG-CE1 4.39Å; L621-F682 HydrophobicContact CD1-CD1 4.45Å; L621-F682 HydrophobicContact CD1-CE1 4.02Å
622	E	94	Very high	96.2	Very high	71 Å²	71	38.8 Å²	38.8	33%	0.332	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-56.6	-47.6	-178.3	-179.1	62.2	-125.3	0	0	112.1	Y620 R624 K625 Y736	Y620-E622 HydrophobicContact CE1-CB 4.25Å; Y620-E622 VanDerWaalsContact CE1-OE2 3.31Å; Y620-E622 WeakPolarHBondContact CE1-OE2 3.48Å; E622-R624 PolarHBondContact O-N 2.96Å; E622-K625 WeakPolarHBondContact O-CG 3.43Å; E622-K625 PolarHBondContact O-N 3.12Å; E622-Y736 HydrophobicContact CB-CD2 3.92Å; E622-Y736 HydrophobicContact CB-CE2 3.64Å; E622-Y736 HydrophobicContact CG-CE2 3.9Å; E622-Y736 WeakPolarHBondContact OE2-CE2 3.11Å; E622-Y736 PolarHBondContact OE2-OH 2.85Å
623	D	93.7	Very high	96.6	Very high	168 Å²	168	41.3 Å²	41.3	90%	0.898	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-57.4	-29.7	-177.3	-58.4	-24.5	0	0	0	113.3	L621	L621-D623 PolarHBondContact O-N 2.91Å
624	R	94.9	Very high	96.7	Very high	174 Å²	174	37.8 Å²	37.8	66%	0.657	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-103.6	-8.9	179.9	-59.7	-172.5	-175.5	-158	-0.1	113.1	L621 E622 Q626	L621-R624 HydrophobicContact CB-CB 4.36Å; L621-R624 PolarHBondContact O-N 2.69Å; E622-R624 PolarHBondContact O-N 2.96Å; R624-Q626 VanDerWaalsContact C-N 3.29Å; R624-Q626 HydrophobicContact CB-CB 4.2Å; R624-Q626 HydrophobicContact CB-CG 4.11Å; R624-Q626 PolarHBondContact O-N 3.05Å
625	K	95.3	Very high	96.6	Very high	113 Å²	113	38.2 Å²	38.2	49%	0.491	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	48.1	-171.8	-55.4	177.3	175.7	-171.4	0	112.1	Y620 L621 E622 L685 N686	Y620-K625 WeakPolarHBondContact OH-CA 3.46Å; L621-K625 WeakPolarHBondContact O-CA 3.5Å; L621-K625 PolarHBondContact O-N 2.96Å; E622-K625 WeakPolarHBondContact O-CG 3.43Å; E622-K625 PolarHBondContact O-N 3.12Å; K625-L685 CarbonylContact C-O 3.51Å; K625-L685 CarbonylContact O-C 3.52Å; K625-L685 PolarHBondContact O-N 2.97Å; K625-N686 WeakPolarHBondContact CD-OD1 3.39Å
626	Q	96.3	Very high	96.3	Very high	39 Å²	39	41.9 Å²	41.9	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.6	-173.9	-79.4	176.8	-11.5	0	0	112	Y620 L621 R624 Y683 D684	Y620-Q626 VanDerWaalsContact CD2-O 3.25Å; Y620-Q626 WeakPolarHBondContact CD2-O 3.31Å; L621-Q626 PolarHBondContact N-O 2.84Å; L621-Q626 PolarHBondContact O-N 2.82Å; L621-Q626 VanDerWaalsContact O-N 3.17Å; R624-Q626 VanDerWaalsContact C-N 3.29Å; R624-Q626 HydrophobicContact CB-CB 4.2Å; R624-Q626 HydrophobicContact CB-CG 4.11Å; R624-Q626 PolarHBondContact O-N 3.05Å; Q626-Y683 CarbonylContact C-O 3.52Å; Q626-Y683 VanDerWaalsContact CA-O 3.26Å; Q626-Y683 WeakPolarHBondContact CA-O 3.44Å; Q626-D684 WeakPolarHBondContact CG-OD1 3.4Å; Q626-D684 PolarHBondContact NE2-OD1 2.85Å
627	L	96.4	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.3	161.8	171.1	69.2	0	0	0	108.1	V629 Y683 L685 W728 V731 F732	L627-V629 HydrophobicContact CD2-CG2 4.17Å; L627-V629 HydrophobicContact CG-CG2 4.06Å; L627-Y683 PolarHBondContact N-O 2.98Å; L627-Y683 PolarHBondContact O-N 2.74Å; L627-L685 HydrophobicContact CB-CB 4.31Å; L627-L685 HydrophobicContact CB-CD2 4.09Å; L627-L685 HydrophobicContact CD2-CD2 4.04Å; L627-W728 HydrophobicContact CD2-CH2 3.73Å; L627-W728 HydrophobicContact CD2-CZ3 3.99Å; L627-V731 HydrophobicContact CD1-CG1 3.95Å; L627-F732 HydrophobicContact CB-CZ 4.4Å; L627-F732 HydrophobicContact CD1-CZ 3.98Å; L627-F732 HydrophobicContact CD2-CZ 4.41Å; L627-F732 HydrophobicContact CG-CZ 4.5Å
628	Y	95.8	Very high	95.7	Very high	40 Å²	40	43.1 Å²	43.1	16%	0.157	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142	167.1	78.7	-88.6	0	0	0	111	G619 L621 T680 F681 F682 R738	G619-Y628 VanDerWaalsContact C-CD1 3.46Å; G619-Y628 PolarHBondContact N-O 3.07Å; G619-Y628 VanDerWaalsContact N-O 3.13Å; G619-Y628 WeakPolarHBondContact O-CD1 3.42Å; G619-Y628 PolarHBondContact O-N 3.31Å; L621-Y628 HydrophobicContact CD1-CD1 4.42Å; L621-Y628 HydrophobicContact CD2-CD1 4.32Å; L621-Y628 HydrophobicContact CD2-CE1 4.26Å; L621-Y628 HydrophobicContact CG-CD1 3.97Å; L621-Y628 HydrophobicContact CG-CE1 4.39Å; Y628-T680 HydrophobicContact CD2-CG2 4.01Å; Y628-F681 CarbonylContact C-O 3.45Å; Y628-F681 VanDerWaalsContact CA-O 3.27Å; Y628-F681 WeakPolarHBondContact CA-O 3.31Å; Y628-F682 HydrophobicContact CG-CE1 4.38Å; Y628-R738 HydrophobicContact CE2-CG 4.43Å; Y628-R738 WeakPolarHBondContact OH-CB 3.14Å; Y628-R738 VanDerWaalsContact OH-CD 3.28Å; Y628-R738 WeakPolarHBondContact OH-CD 3.46Å; Y628-R738 WeakPolarHBondContact OH-CG 3.37Å
629	V	97.9	Very high	95.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.9	-176	-176.7	0	0	0	0	108	G617 L618 L627 L652 T680 F681 Y683 L695	G617-V629 CarbonylContact O-C 3.45Å; L618-V629 HydrophobicContact CD2-CB 4.1Å; L618-V629 HydrophobicContact CD2-CG1 3.72Å; L618-V629 HydrophobicContact CD2-CG2 3.81Å; L627-V629 HydrophobicContact CD2-CG2 4.17Å; L627-V629 HydrophobicContact CG-CG2 4.06Å; V629-L652 HydrophobicContact CB-CD2 4.15Å; V629-L652 HydrophobicContact CG1-CD2 3.53Å; V629-T680 CarbonylContact O-C 3.53Å; V629-T680 WeakPolarHBondContact O-CA 3.29Å; V629-F681 PolarHBondContact N-O 3.41Å; V629-F681 PolarHBondContact O-N 3.12Å; V629-Y683 HydrophobicContact CG2-CD2 4.25Å; V629-Y683 HydrophobicContact CG2-CE2 4.36Å; V629-L695 HydrophobicContact CG1-CD2 4.12Å; V629-L695 HydrophobicContact CG2-CD1 4.43Å; V629-L695 HydrophobicContact CG2-CD2 3.61Å
630	E	98.2	Very high	95.3	Very high	37 Å²	37	49 Å²	49	17%	0.173	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.6	173.3	-173	-176	176.8	0	0	109.4	L616 G617 I632 E679 R738	L616-E630 CarbonylContact C-O 3.5Å; L616-E630 WeakPolarHBondContact CA-O 3.36Å; G617-E630 PolarHBondContact N-O 2.93Å; G617-E630 PolarHBondContact O-N 3.37Å; E630-I632 HydrophobicContact CB-CG1 4.47Å; E630-I632 HydrophobicContact CG-CG1 3.83Å; E630-I632 PolarHBondContact O-N 2.8Å; E630-E679 CarbonylContact C-O 3.15Å; E630-E679 WeakPolarHBondContact CA-O 3.47Å; E630-R738 IonicContact OE1-NH2 3.44Å; E630-R738 IonicContact OE2-CZ 2.63Å; E630-R738 VanDerWaalsContact OE2-CZ 3.26Å; E630-R738 IonicContact OE2-NE 2.94Å; E630-R738 PolarHBondContact OE2-NE 2.78Å; E630-R738 VanDerWaalsContact OE2-NE 3.09Å; E630-R738 IonicContact OE2-NH2 3.32Å; E630-R738 PolarHBondContact OE2-NH2 3.47Å
631	V	98.5	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	103.2	168.5	-178.2	0	0	0	0	107.6	I614 L616 V650 L652 T666 F677 H678 E679 F681	I614-V631 HydrophobicContact CD1-CG1 4.23Å; L616-V631 HydrophobicContact CD2-CB 4.39Å; L616-V631 HydrophobicContact CD2-CG1 4.46Å; L616-V631 HydrophobicContact CD2-CG2 4.02Å; V631-V650 HydrophobicContact CG1-CB 4.26Å; V631-V650 HydrophobicContact CG1-CG1 4.48Å; V631-V650 HydrophobicContact CG1-CG2 3.87Å; V631-V650 HydrophobicContact CG2-CG1 4.39Å; V631-L652 HydrophobicContact CG2-CD1 4.06Å; V631-L652 HydrophobicContact CG2-CD2 4.03Å; V631-T666 HydrophobicContact CB-CG2 4.08Å; V631-T666 HydrophobicContact CG1-CG2 4.01Å; V631-T666 HydrophobicContact CG2-CG2 4.23Å; V631-F677 HydrophobicContact CG1-CB 4.05Å; V631-F677 HydrophobicContact CG1-CD2 3.75Å; V631-F677 HydrophobicContact CG1-CE2 4.48Å; V631-F677 HydrophobicContact CG1-CG 4.06Å; V631-F677 WeakPolarHBondContact O-CB 3.45Å; V631-H678 WeakPolarHBondContact O-CA 3.29Å; V631-H678 PolarHBondContact O-N 3.35Å; V631-E679 PolarHBondContact N-O 3.28Å; V631-E679 PolarHBondContact O-N 2.99Å; V631-F681 HydrophobicContact CB-CE2 4.35Å; V631-F681 HydrophobicContact CG2-CD2 4.07Å; V631-F681 HydrophobicContact CG2-CE2 3.79Å
632	I	98.4	Very high	94.6	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.046	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-65.9	-172.9	-56.7	171.5	0	0	0	109.1	Q615 E630 F677 H678 E740	Q615-I632 HydrophobicContact CB-CB 4.28Å; Q615-I632 HydrophobicContact CG-CD1 4.14Å; Q615-I632 WeakPolarHBondContact O-CB 3.23Å; Q615-I632 PolarHBondContact O-N 3.1Å; Q615-I632 VanDerWaalsContact O-N 3.11Å; E630-I632 HydrophobicContact CB-CG1 4.47Å; E630-I632 HydrophobicContact CG-CG1 3.83Å; E630-I632 PolarHBondContact O-N 2.8Å; I632-F677 PolarHBondContact O-N 2.95Å; I632-H678 PolarHBondContact O-N 3.45Å; I632-H678 VanDerWaalsContact O-N 3.09Å; I632-E740 HydrophobicContact CD1-CG 3.68Å
633	R	98.2	Very high	94.3	Very high	53 Å²	53	57.4 Å²	57.4	20%	0.2	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	165.9	-174.8	63.1	-173	177.2	119.4	-9.2	112.8	Q615 P675 E676 W742	Q615-R633 HydrophobicContact CB-CG 3.99Å; Q615-R633 PolarHBondContact N-O 2.83Å; R633-P675 CarbonylContact C-O 3.49Å; R633-P675 WeakPolarHBondContact CA-O 3.33Å; R633-P675 VanDerWaalsContact CB-O 3.27Å; R633-P675 WeakPolarHBondContact CB-O 3.23Å; R633-E676 HydrophobicContact CB-CB 4.46Å; R633-E676 HydrophobicContact CB-CG 4.03Å; R633-W742 HydrophobicContact CG-CH2 4.04Å; R633-W742 VanDerWaalsContact NH2-CZ2 3.28Å
634	C	97.8	Very high	94	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	165.5	166.6	-56.4	0	0	0	0	111.6	K613 L637 F674 P675	K613-C634 CarbonylContact O-C 3.6Å; K613-C634 WeakPolarHBondContact O-CA 3.32Å; K613-C634 WeakPolarHBondContact O-CB 3.11Å; C634-L637 HydrophobicContact CB-CD1 3.87Å; C634-L637 HydrophobicContact CB-CD2 3.72Å; C634-L637 HydrophobicContact CB-CG 3.82Å; C634-F674 WeakPolarHBondContact O-CA 3.13Å; C634-P675 HydrophobicContact CB-CG 3.69Å; C634-P675 PolarHBondContact N-O 3.2Å
635	A	94.5	Very high	93.8	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.9	172.9	0	0	0	0	0	111.4	G612 K613 L637 F674 W742	G612-A635 WeakPolarHBondContact CA-O 3.32Å; K613-A635 HydrophobicContact CG-CB 4.05Å; K613-A635 PolarHBondContact N-O 2.88Å; K613-A635 PolarHBondContact O-N 2.86Å; A635-L637 VanDerWaalsContact C-N 3.3Å; A635-L637 PolarHBondContact O-N 2.93Å; A635-F674 HydrophobicContact CB-CD1 3.94Å; A635-F674 HydrophobicContact CB-CE1 4.18Å; A635-W742 HydrophobicContact CB-CH2 3.79Å; A635-W742 HydrophobicContact CB-CZ3 4.08Å
636	N	92	Very high	93.7	Very high	95 Å²	95	41.7 Å²	41.7	51%	0.508	23%	0.225	S	C	.	.	S	Bend	trans	54.1	42.2	178.5	-56.8	-26.6	0	0	0	113	G612 L673 F674	G612-N636 WeakPolarHBondContact CA-O 3.41Å; G612-N636 PolarHBondContact N-O 2.89Å; N636-L673 PolarHBondContact N-O 3.09Å; N636-F674 WeakPolarHBondContact OD1-CE1 3.47Å; N636-F674 WeakPolarHBondContact OD1-CZ 3.42Å
637	L	93.7	Very high	93.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-59.9	151.1	174	-64.3	-176.5	0	0	0	110.8	C634 A635 P648 L673 P675 V699 I711 L745	C634-L637 HydrophobicContact CB-CD1 3.87Å; C634-L637 HydrophobicContact CB-CD2 3.72Å; C634-L637 HydrophobicContact CB-CG 3.82Å; A635-L637 VanDerWaalsContact C-N 3.3Å; A635-L637 PolarHBondContact O-N 2.93Å; L637-P648 HydrophobicContact CD1-CB 3.55Å; L637-P648 HydrophobicContact CD1-CG 3.93Å; L637-L673 HydrophobicContact CB-CB 4.38Å; L637-L673 HydrophobicContact CB-CD2 4.25Å; L637-L673 PolarHBondContact N-O 3.24Å; L637-L673 VanDerWaalsContact N-O 3.16Å; L637-L673 WeakPolarHBondContact O-CD2 3.5Å; L637-P675 HydrophobicContact CD1-CG 3.77Å; L637-V699 HydrophobicContact CD1-CG1 4.09Å; L637-V699 HydrophobicContact CD2-CG1 4.35Å; L637-I711 HydrophobicContact CB-CG2 4.27Å; L637-I711 HydrophobicContact CD1-CD1 4.48Å; L637-I711 HydrophobicContact CD2-CG2 4.15Å; L637-L745 HydrophobicContact CD2-CD1 3.52Å
638	A	89.4	Confident	93.8	Very high	23 Å²	23	41.2 Å²	41.2	19%	0.19	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.7	131.5	171.7	0	0	0	0	0	109.7	R611 M640 S646 I711	R611-A638 PolarHBondContact O-N 3.12Å; A638-M640 HydrophobicContact CB-SD 4.15Å; A638-M640 PolarHBondContact O-N 3.37Å; A638-S646 PolarHBondContact O-OG 3.09Å; A638-I711 HydrophobicContact CB-CG2 4.41Å
639	P	91.3	Very high	93.9	Very high	71 Å²	71	39.9 Å²	39.9	46%	0.461	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-74	119.2	171.9	30.3	-32.2	0	0	0	109.5	G644 F645 L673	P639-G644 VanDerWaalsContact CB-C 3.41Å; P639-G644 VanDerWaalsContact CB-O 3.28Å; P639-G644 WeakPolarHBondContact CB-O 3.49Å; P639-F645 WeakPolarHBondContact CA-O 3.4Å; P639-L673 HydrophobicContact CB-CD1 4.32Å; P639-L673 HydrophobicContact CB-CD2 4.15Å
640	M	92.6	Very high	93.9	Very high	52 Å²	52	39.9 Å²	39.9	26%	0.256	22%	0.219	S	C	.	.			trans	-101.4	-25.6	179	-42.4	-72	-75.2	0	0	112	R611 A638 F645 S646 D701 D709 F710 I711	R611-M640 VanDerWaalsContact NH2-CE 3.26Å; R611-M640 PolarHBondContact NH2-SD 3.22Å; A638-M640 HydrophobicContact CB-SD 4.15Å; A638-M640 PolarHBondContact O-N 3.37Å; M640-F645 PolarHBondContact N-O 3.27Å; M640-S646 PolarHBondContact N-OG 2.98Å; M640-D701 HydrophobicContact CB-CB 4.07Å; M640-D701 VanDerWaalsContact CB-OD2 3.26Å; M640-D701 WeakPolarHBondContact CB-OD2 3.3Å; M640-D701 HydrophobicContact CG-CB 4.03Å; M640-D709 HydrophobicContact CB-CB 4.03Å; M640-D709 HydrophobicContact CE-CB 3.76Å; M640-D709 HydrophobicContact CG-CB 4.3Å; M640-F710 WeakPolarHBondContact CE-O 3.44Å; M640-I711 HydrophobicContact CG-CD1 4.39Å; M640-I711 HydrophobicContact CG-CG1 3.65Å; M640-I711 HydrophobicContact SD-CG1 4.27Å
641	D	90.1	Very high	93.9	Very high	37 Å²	37	39.2 Å²	39.2	20%	0.198	22%	0.215	C	C	.	.	S	Bend	trans	-76.9	151.4	174.8	-78.3	-36.6	0	0	0	112.8	N643 G644 F645	D641-N643 VanDerWaalsContact CB-CG 3.46Å; D641-N643 WeakPolarHBondContact CB-ND2 3.44Å; D641-N643 WeakPolarHBondContact CB-OD1 3.42Å; D641-N643 PolarHBondContact O-N 2.92Å; D641-N643 VanDerWaalsContact O-N 3.07Å; D641-N643 PolarHBondContact OD2-ND2 3.47Å; D641-N643 VanDerWaalsContact OD2-ND2 3.14Å; D641-G644 PolarHBondContact O-N 3.35Å; D641-F645 WeakPolarHBondContact CB-O 3.32Å; D641-F645 PolarHBondContact N-O 3.4Å; D641-F645 VanDerWaalsContact N-O 3.14Å
642	L	87.6	Confident	93.9	Very high	193 Å²	193	39.2 Å²	39.2	100%	1.01	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.6	171.1	-65.5	174.4	0	0	0	113.8	G644	L642-G644 PolarHBondContact O-N 3.05Å
643	N	87	Confident	93.7	Very high	87 Å²	87	40.7 Å²	40.7	47%	0.465	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-5.8	177.7	64.3	28.7	0	0	0	112.9	D641 F645	D641-N643 VanDerWaalsContact CB-CG 3.46Å; D641-N643 WeakPolarHBondContact CB-ND2 3.44Å; D641-N643 WeakPolarHBondContact CB-OD1 3.42Å; D641-N643 PolarHBondContact O-N 2.92Å; D641-N643 VanDerWaalsContact O-N 3.07Å; D641-N643 PolarHBondContact OD2-ND2 3.47Å; D641-N643 VanDerWaalsContact OD2-ND2 3.14Å; N643-F645 WeakPolarHBondContact O-CD2 3.36Å; N643-F645 WeakPolarHBondContact OD1-CA 3.27Å; N643-F645 VanDerWaalsContact OD1-CB 3.29Å; N643-F645 WeakPolarHBondContact OD1-CB 3.34Å; N643-F645 PolarHBondContact OD1-N 3.35Å
644	G	87.7	Confident	93.6	Very high	39 Å²	39	38.4 Å²	38.4	40%	0.402	21%	0.213	S	C	.	.	S	Bend	trans	81.7	13	-177.4	0	0	0	0	0	114.5	P639 D641 L642	P639-G644 VanDerWaalsContact CB-C 3.41Å; P639-G644 VanDerWaalsContact CB-O 3.28Å; P639-G644 WeakPolarHBondContact CB-O 3.49Å; D641-G644 PolarHBondContact O-N 3.35Å; L642-G644 PolarHBondContact O-N 3.05Å
645	F	91.2	Very high	93.4	Very high	86 Å²	86	42.6 Å²	42.6	38%	0.377	23%	0.228	S	C	.	.			trans	-125.8	-167.4	176.1	-60.8	-84.1	0	0	0	110.3	P639 M640 D641 N643 A671 L673	P639-F645 WeakPolarHBondContact CA-O 3.4Å; M640-F645 PolarHBondContact N-O 3.27Å; D641-F645 WeakPolarHBondContact CB-O 3.32Å; D641-F645 PolarHBondContact N-O 3.4Å; D641-F645 VanDerWaalsContact N-O 3.14Å; N643-F645 WeakPolarHBondContact O-CD2 3.36Å; N643-F645 WeakPolarHBondContact OD1-CA 3.27Å; N643-F645 VanDerWaalsContact OD1-CB 3.29Å; N643-F645 WeakPolarHBondContact OD1-CB 3.34Å; N643-F645 PolarHBondContact OD1-N 3.35Å; F645-A671 HydrophobicContact CB-CB 4.36Å; F645-L673 HydrophobicContact CD1-CG 4.47Å
646	S	93.4	Very high	93.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.			trans	-145.7	161.5	168.5	-79.4	0	0	0	0	109.1	A638 M640 P648 A671 T672 D701	A638-S646 PolarHBondContact O-OG 3.09Å; M640-S646 PolarHBondContact N-OG 2.98Å; S646-P648 WeakPolarHBondContact O-CD 3.44Å; S646-A671 CarbonylContact O-C 3.59Å; S646-A671 VanDerWaalsContact O-CA 3.27Å; S646-A671 WeakPolarHBondContact O-CA 3.27Å; S646-A671 PolarHBondContact O-N 3.42Å; S646-A671 VanDerWaalsContact O-N 3.13Å; S646-T672 PolarHBondContact O-N 2.96Å; S646-D701 WeakPolarHBondContact CA-OD2 3.28Å; S646-D701 WeakPolarHBondContact CB-OD2 3.34Å; S646-D701 PolarHBondContact OG-OD2 3.45Å
647	D	96.2	Very high	93.2	Very high	29 Å²	29	41.7 Å²	41.7	16%	0.155	23%	0.226	C	C	.	.			trans	-101.6	67.1	167.6	-71.7	-19.8	0	0	0	110.8	V668 K669 K670 A671 D701 F702	D647-V668 HydrophobicContact CB-CG1 4.01Å; D647-V668 WeakPolarHBondContact O-CG1 3.28Å; D647-K669 CarbonylContact C-O 3.52Å; D647-K669 WeakPolarHBondContact CA-O 3.31Å; D647-K670 WeakPolarHBondContact OD1-CA 3.3Å; D647-A671 PolarHBondContact OD1-N 3.03Å; D647-D701 WeakPolarHBondContact CA-OD1 3.49Å; D647-D701 WeakPolarHBondContact CB-OD1 3.29Å; D647-D701 PolarHBondContact N-OD1 2.93Å; D647-F702 HydrophobicContact CB-CB 3.98Å; D647-F702 WeakPolarHBondContact O-CB 3.43Å; D647-F702 PolarHBondContact O-N 3.23Å
648	P	97.5	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	142.4	-168	27.4	-39.6	0	0	0	115.1	L637 S646 K669 T672 P675 F677 V699 W700 I711	L637-P648 HydrophobicContact CD1-CB 3.55Å; L637-P648 HydrophobicContact CD1-CG 3.93Å; S646-P648 WeakPolarHBondContact O-CD 3.44Å; P648-K669 WeakPolarHBondContact CD-O 3.44Å; P648-K669 HydrophobicContact CG-CB 4.38Å; P648-K669 VanDerWaalsContact N-O 3.11Å; P648-K669 PolarHBondContact O-N 3.25Å; P648-T672 VanDerWaalsContact CD-O 3.3Å; P648-T672 WeakPolarHBondContact CD-O 3.16Å; P648-T672 HydrophobicContact CG-CG2 4Å; P648-T672 WeakPolarHBondContact CG-O 3.42Å; P648-P675 HydrophobicContact CB-CB 4.45Å; P648-P675 HydrophobicContact CB-CG 4Å; P648-P675 HydrophobicContact CG-CB 3.63Å; P648-P675 HydrophobicContact CG-CG 3.5Å; P648-P675 VanDerWaalsContact CG-CG 3.5Å; P648-F677 HydrophobicContact CB-CZ 4.41Å; P648-V699 HydrophobicContact CB-CG1 4.31Å; P648-W700 CarbonylContact C-O 3.58Å; P648-W700 VanDerWaalsContact CA-O 3.25Å; P648-W700 WeakPolarHBondContact CA-O 3.12Å; P648-I711 HydrophobicContact CB-CD1 4.3Å
649	F	98.3	Very high	92.6	Very high	11 Å²	11	54 Å²	54	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.5	164.1	71.9	-78	0	0	0	111.7	K651 V668 V699 W700 F702 N708	F649-K651 HydrophobicContact CD2-CG 4.21Å; F649-K651 HydrophobicContact CE2-CD 4.12Å; F649-K651 HydrophobicContact CE2-CG 3.8Å; F649-K651 VanDerWaalsContact CZ-CE 3.46Å; F649-V668 HydrophobicContact CB-CB 4.49Å; F649-V668 HydrophobicContact CB-CG2 3.96Å; F649-V668 HydrophobicContact CD1-CG2 4.21Å; F649-V668 HydrophobicContact CG-CG2 4.18Å; F649-V699 WeakPolarHBondContact O-CA 3.46Å; F649-W700 HydrophobicContact CD1-CB 3.85Å; F649-W700 WeakPolarHBondContact CD1-O 3.44Å; F649-W700 HydrophobicContact CE1-CB 3.34Å; F649-W700 HydrophobicContact CE1-CG 4.36Å; F649-W700 HydrophobicContact CE2-CB 4.16Å; F649-W700 HydrophobicContact CE2-CG 4.48Å; F649-W700 HydrophobicContact CG-CB 4.44Å; F649-W700 HydrophobicContact CZ-CB 3.52Å; F649-W700 HydrophobicContact CZ-CG 4.08Å; F649-W700 PolarHBondContact N-O 2.83Å; F649-W700 PolarHBondContact O-N 3Å; F649-F702 HydrophobicContact CD1-CB 3.97Å; F649-F702 HydrophobicContact CE1-CB 4Å; F649-N708 HydrophobicContact CE1-CB 4.27Å; F649-N708 HydrophobicContact CZ-CB 4.32Å
650	V	98.5	Very high	92.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.2	-175.5	-172.1	0	0	0	0	110	I614 V631 L652 K665 T666 F677 I697 T698 V699	I614-V650 HydrophobicContact CD1-CG1 4.13Å; I614-V650 HydrophobicContact CD1-CG2 4.06Å; V631-V650 HydrophobicContact CG1-CB 4.26Å; V631-V650 HydrophobicContact CG1-CG1 4.48Å; V631-V650 HydrophobicContact CG1-CG2 3.87Å; V631-V650 HydrophobicContact CG2-CG1 4.39Å; V650-L652 HydrophobicContact CG1-CD1 4.23Å; V650-L652 HydrophobicContact CG1-CG 4.47Å; V650-K665 CarbonylContact O-C 3.48Å; V650-K665 WeakPolarHBondContact O-CA 3.47Å; V650-T666 HydrophobicContact CB-CG2 3.84Å; V650-T666 HydrophobicContact CG2-CG2 4.34Å; V650-T666 PolarHBondContact N-OG1 3.12Å; V650-T666 PolarHBondContact O-N 3.27Å; V650-F677 HydrophobicContact CG2-CD2 4.33Å; V650-F677 HydrophobicContact CG2-CE2 3.79Å; V650-F677 HydrophobicContact CG2-CZ 3.9Å; V650-I697 HydrophobicContact CG1-CG2 3.47Å; V650-I697 VanDerWaalsContact CG1-CG2 3.47Å; V650-T698 CarbonylContact C-O 3.49Å; V650-T698 WeakPolarHBondContact CA-O 3.28Å; V650-V699 HydrophobicContact CG2-CG2 4.17Å
651	K	97.9	Very high	92.4	Very high	23 Å²	23	65.4 Å²	65.4	10%	0.1	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.7	169.3	-55.5	175.3	-166.4	155.4	0	109.3	F649 Y653 Q664 K665 T698 W700	F649-K651 HydrophobicContact CD2-CG 4.21Å; F649-K651 HydrophobicContact CE2-CD 4.12Å; F649-K651 HydrophobicContact CE2-CG 3.8Å; F649-K651 VanDerWaalsContact CZ-CE 3.46Å; K651-Y653 HydrophobicContact CB-CE2 3.85Å; K651-Q664 CarbonylContact C-O 3.57Å; K651-Q664 WeakPolarHBondContact CA-O 3.28Å; K651-K665 HydrophobicContact CG-CB 4.45Å; K651-T698 PolarHBondContact N-O 3.43Å; K651-T698 PolarHBondContact O-N 3.01Å; K651-T698 PolarHBondContact O-OG1 2.93Å; K651-W700 HydrophobicContact CD-CG 4.35Å
652	L	97.9	Very high	92.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.1	178.7	-56.9	94	0	0	0	110	V629 V631 V650 K663 Q664 F681 Y683 E696 I697	V629-L652 HydrophobicContact CB-CD2 4.15Å; V629-L652 HydrophobicContact CG1-CD2 3.53Å; V631-L652 HydrophobicContact CG2-CD1 4.06Å; V631-L652 HydrophobicContact CG2-CD2 4.03Å; V650-L652 HydrophobicContact CG1-CD1 4.23Å; V650-L652 HydrophobicContact CG1-CG 4.47Å; L652-K663 WeakPolarHBondContact O-CA 3.36Å; L652-Q664 PolarHBondContact N-O 2.82Å; L652-Q664 PolarHBondContact O-N 3.42Å; L652-F681 HydrophobicContact CD1-CD2 3.65Å; L652-F681 HydrophobicContact CD1-CE2 3.6Å; L652-F681 HydrophobicContact CD1-CG 4.28Å; L652-F681 HydrophobicContact CD1-CZ 4.18Å; L652-F681 HydrophobicContact CD2-CD2 4.13Å; L652-Y683 VanDerWaalsContact CB-OH 3.27Å; L652-Y683 WeakPolarHBondContact CB-OH 3.33Å; L652-Y683 PolarHBondContact O-OH 2.99Å; L652-E696 CarbonylContact C-O 3.53Å; L652-E696 WeakPolarHBondContact CA-O 3.47Å; L652-I697 HydrophobicContact CD2-CG1 4.36Å
653	Y	96.1	Very high	92.9	Very high	41 Å²	41	60.9 Å²	60.9	16%	0.161	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.8	175.8	-62.2	-97.5	0	0	0	109.8	K651 K663 E696	K651-Y653 HydrophobicContact CB-CE2 3.85Å; Y653-K663 HydrophobicContact CD1-CB 3.91Å; Y653-K663 HydrophobicContact CD1-CG 4.26Å; Y653-K663 HydrophobicContact CE1-CB 3.53Å; Y653-K663 HydrophobicContact CE1-CD 3.85Å; Y653-K663 HydrophobicContact CE1-CG 3.54Å; Y653-K663 HydrophobicContact CE2-CG 4.42Å; Y653-K663 WeakPolarHBondContact OH-CD 3.46Å; Y653-K663 VanDerWaalsContact OH-CE 3.27Å; Y653-K663 WeakPolarHBondContact OH-CE 3.26Å; Y653-E696 PolarHBondContact N-O 2.79Å; Y653-E696 PolarHBondContact O-N 3.34Å
654	L	95.2	Very high	93.4	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	110.7	168.6	-173.4	66.1	0	0	0	109.3	D657 T662 Y683 L685 R693 W728	L654-D657 WeakPolarHBondContact O-CB 3.34Å; L654-D657 PolarHBondContact O-N 2.97Å; L654-T662 HydrophobicContact CB-CG2 4.06Å; L654-T662 PolarHBondContact N-OG1 3.37Å; L654-T662 PolarHBondContact O-OG1 2.84Å; L654-Y683 HydrophobicContact CB-CD1 3.96Å; L654-Y683 HydrophobicContact CB-CE1 4.09Å; L654-Y683 HydrophobicContact CB-CG 4.38Å; L654-Y683 HydrophobicContact CD2-CD1 4.31Å; L654-Y683 HydrophobicContact CD2-CG 4.31Å; L654-L685 HydrophobicContact CD1-CD2 4.38Å; L654-L685 HydrophobicContact CD2-CB 4.37Å; L654-L685 HydrophobicContact CD2-CD2 4.36Å; L654-R693 HydrophobicContact CD1-CB 4.2Å; L654-W728 HydrophobicContact CD1-CH2 4.31Å
655	R	93.3	Very high	93.9	Very high	91 Å²	91	63.8 Å²	63.8	34%	0.343	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	149.3	-177.4	-57	-62	-169.5	174.6	4.1	111.6	R693 T694 E696	R655-R693 CarbonylContact O-C 3.41Å; R655-R693 WeakPolarHBondContact O-CA 3.32Å; R655-T694 WeakPolarHBondContact CA-O 3.44Å; R655-T694 WeakPolarHBondContact CB-O 3.43Å; R655-T694 PolarHBondContact N-O 3.19Å; R655-T694 PolarHBondContact O-N 2.87Å; R655-E696 HydrophobicContact CG-CB 4.22Å; R655-E696 IonicContact CZ-OE2 2.77Å; R655-E696 VanDerWaalsContact CZ-OE2 3.27Å; R655-E696 IonicContact NE-OE2 2.91Å; R655-E696 PolarHBondContact NE-OE2 3.18Å; R655-E696 IonicContact NH2-OE2 2.7Å; R655-E696 PolarHBondContact NH2-OE2 2.87Å
656	P	92.3	Very high	94.2	Very high	65 Å²	65	60.1 Å²	60.1	42%	0.422	28%	0.279	S	S	.	.	S	Bend	cis	-64.6	128.9	-12.5	26.6	-34.8	0	0	0	111.6	K658 R693	P656-K658 PolarHBondContact O-N 2.76Å; P656-R693 PolarHBondContact O-NH1 3.27Å
657	D	89.7	Confident	94.4	Very high	19 Å²	19	66.3 Å²	66.3	10%	0.102	31%	0.308	C	S	.	.			trans	-93.2	73.2	178.9	-174.6	5.5	0	0	0	109.5	L654 T659 K660 K661 T662	L654-D657 WeakPolarHBondContact O-CB 3.34Å; L654-D657 PolarHBondContact O-N 2.97Å; D657-T659 PolarHBondContact O-N 2.79Å; D657-T659 PolarHBondContact OD1-OG1 2.77Å; D657-K660 VanDerWaalsContact CG-CA 3.45Å; D657-K660 PolarHBondContact O-N 2.96Å; D657-K660 WeakPolarHBondContact OD1-CA 3.35Å; D657-K660 PolarHBondContact OD1-N 3.37Å; D657-K660 VanDerWaalsContact OD2-C 3.29Å; D657-K660 WeakPolarHBondContact OD2-CA 3.47Å; D657-K661 PolarHBondContact OD1-N 2.96Å; D657-K661 VanDerWaalsContact OD1-N 3.11Å; D657-K661 PolarHBondContact OD2-N 3.21Å; D657-T662 HydrophobicContact CB-CG2 4.41Å; D657-T662 WeakPolarHBondContact CB-OG1 3.46Å; D657-T662 WeakPolarHBondContact OD1-CG2 3.21Å; D657-T662 PolarHBondContact OD1-N 2.92Å; D657-T662 PolarHBondContact OD2-N 2.98Å; D657-T662 VanDerWaalsContact OD2-N 3.15Å; D657-T662 PolarHBondContact OD2-OG1 3.26Å
658	K	84.5	Confident	94.5	Very high	190 Å²	190	67.6 Å²	67.6	83%	0.826	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.1	-176.9	-65.2	-176.9	-179.5	178.8	0	112.4	P656	P656-K658 PolarHBondContact O-N 2.76Å
659	T	86.7	Confident	94.5	Very high	95 Å²	95	70.4 Å²	70.4	58%	0.583	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-7.9	-175.6	56.6	0	0	0	0	113.2	D657 K661	D657-T659 PolarHBondContact O-N 2.79Å; D657-T659 PolarHBondContact OD1-OG1 2.77Å; T659-K661 WeakPolarHBondContact O-CG 3.43Å; T659-K661 PolarHBondContact O-N 3.2Å
660	K	88.1	Confident	94.3	Very high	188 Å²	188	77.4 Å²	77.4	82%	0.817	36%	0.359	S	S	*	.	S	Bend	trans	55.9	29	-172.9	-60.8	-174.9	-179.7	179.8	0	113.3	D657	D657-K660 VanDerWaalsContact CG-CA 3.45Å; D657-K660 PolarHBondContact O-N 2.96Å; D657-K660 WeakPolarHBondContact OD1-CA 3.35Å; D657-K660 PolarHBondContact OD1-N 3.37Å; D657-K660 VanDerWaalsContact OD2-C 3.29Å; D657-K660 WeakPolarHBondContact OD2-CA 3.47Å
661	K	90.5	Very high	94	Very high	175 Å²	175	80 Å²	80	76%	0.761	38%	0.381	S	S	*	.			trans	-114.2	-2.7	-174.7	-71.4	178.5	-175.6	-175.5	0	113.2	D657 T659 K663	D657-K661 PolarHBondContact OD1-N 2.96Å; D657-K661 VanDerWaalsContact OD1-N 3.11Å; D657-K661 PolarHBondContact OD2-N 3.21Å; T659-K661 WeakPolarHBondContact O-CG 3.43Å; T659-K661 PolarHBondContact O-N 3.2Å; K661-K663 VanDerWaalsContact C-N 3.28Å; K661-K663 PolarHBondContact O-N 3.45Å
662	T	93.1	Very high	93.8	Very high	24 Å²	24	80.5 Å²	80.5	15%	0.147	39%	0.385	C	S	.	.			trans	-86.4	-0.2	-176.4	71.3	0	0	0	0	113	L654 D657 Q664 Y683	L654-T662 HydrophobicContact CB-CG2 4.06Å; L654-T662 PolarHBondContact N-OG1 3.37Å; L654-T662 PolarHBondContact O-OG1 2.84Å; D657-T662 HydrophobicContact CB-CG2 4.41Å; D657-T662 WeakPolarHBondContact CB-OG1 3.46Å; D657-T662 WeakPolarHBondContact OD1-CG2 3.21Å; D657-T662 PolarHBondContact OD1-N 2.92Å; D657-T662 PolarHBondContact OD2-N 2.98Å; D657-T662 VanDerWaalsContact OD2-N 3.15Å; D657-T662 PolarHBondContact OD2-OG1 3.26Å; T662-Q664 PolarHBondContact O-N 3.33Å; T662-Q664 VanDerWaalsContact O-N 3.17Å; T662-Y683 WeakPolarHBondContact O-CE1 3.4Å; T662-Y683 PolarHBondContact O-OH 3.09Å
663	K	96.2	Very high	93.6	Very high	111 Å²	111	82 Å²	82	48%	0.483	39%	0.393	S	S	.	.			trans	-65.1	116.7	176.1	-175.4	-178.3	179.4	-177.1	0	110.8	L652 Y653 K661	L652-K663 WeakPolarHBondContact O-CA 3.36Å; Y653-K663 HydrophobicContact CD1-CB 3.91Å; Y653-K663 HydrophobicContact CD1-CG 4.26Å; Y653-K663 HydrophobicContact CE1-CB 3.53Å; Y653-K663 HydrophobicContact CE1-CD 3.85Å; Y653-K663 HydrophobicContact CE1-CG 3.54Å; Y653-K663 HydrophobicContact CE2-CG 4.42Å; Y653-K663 WeakPolarHBondContact OH-CD 3.46Å; Y653-K663 VanDerWaalsContact OH-CE 3.27Å; Y653-K663 WeakPolarHBondContact OH-CE 3.26Å; K661-K663 VanDerWaalsContact C-N 3.28Å; K661-K663 PolarHBondContact O-N 3.45Å
664	Q	97.3	Very high	93.6	Very high	53 Å²	53	85.8 Å²	85.8	25%	0.248	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.8	167.7	-58.5	-169.5	54.9	0	0	109.4	K651 L652 T662 F681 F682 Y683	K651-Q664 CarbonylContact C-O 3.57Å; K651-Q664 WeakPolarHBondContact CA-O 3.28Å; L652-Q664 PolarHBondContact N-O 2.82Å; L652-Q664 PolarHBondContact O-N 3.42Å; T662-Q664 PolarHBondContact O-N 3.33Å; T662-Q664 VanDerWaalsContact O-N 3.17Å; Q664-F681 HydrophobicContact CB-CD1 3.64Å; Q664-F681 HydrophobicContact CB-CE1 4.08Å; Q664-F681 HydrophobicContact CB-CG 4.16Å; Q664-F681 HydrophobicContact CG-CD1 4.34Å; Q664-F682 PolarHBondContact NE2-O 3.1Å; Q664-Y683 HydrophobicContact CG-CE1 4.27Å
665	K	97.4	Very high	93.6	Very high	134 Å²	134	85.6 Å²	85.6	58%	0.583	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	150	179.7	65.8	169.8	-175.6	169.5	0	111.8	V650 K651 F681	V650-K665 CarbonylContact O-C 3.48Å; V650-K665 WeakPolarHBondContact O-CA 3.47Å; K651-K665 HydrophobicContact CG-CB 4.45Å; K665-F681 WeakPolarHBondContact O-CE1 3.42Å; K665-F681 WeakPolarHBondContact O-CZ 3.14Å
666	T	98.4	Very high	93.8	Very high	8 Å²	8	86.6 Å²	86.6	5%	0.049	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-79.2	173.1	172.1	66.1	0	0	0	0	112.1	V631 V650 F677 E679 F681	V631-T666 HydrophobicContact CB-CG2 4.08Å; V631-T666 HydrophobicContact CG1-CG2 4.01Å; V631-T666 HydrophobicContact CG2-CG2 4.23Å; V650-T666 HydrophobicContact CB-CG2 3.84Å; V650-T666 HydrophobicContact CG2-CG2 4.34Å; V650-T666 PolarHBondContact N-OG1 3.12Å; V650-T666 PolarHBondContact O-N 3.27Å; T666-F677 HydrophobicContact CG2-CB 4.4Å; T666-F677 HydrophobicContact CG2-CD1 4.03Å; T666-F677 HydrophobicContact CG2-CG 4.23Å; T666-F677 WeakPolarHBondContact OG1-CD1 3.36Å; T666-F677 WeakPolarHBondContact OG1-CE1 3.1Å; T666-E679 VanDerWaalsContact CA-OE2 3.27Å; T666-E679 WeakPolarHBondContact CA-OE2 3.4Å; T666-E679 WeakPolarHBondContact CB-OE1 3.42Å; T666-E679 HydrophobicContact CG2-CB 4.35Å; T666-F681 HydrophobicContact CG2-CE2 3.74Å; T666-F681 HydrophobicContact CG2-CZ 3.72Å
667	Q	97.6	Very high	94.1	Very high	131 Å²	131	84 Å²	84	61%	0.612	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-65.6	156.2	160.3	-59.6	-179.9	27.9	0	0	110.9	F677 E679	Q667-F677 WeakPolarHBondContact O-CE1 3.04Å; Q667-E679 WeakPolarHBondContact CB-OE1 3.24Å; Q667-E679 WeakPolarHBondContact CG-OE1 3.4Å; Q667-E679 PolarHBondContact N-OE1 3.36Å; Q667-E679 PolarHBondContact N-OE2 3.23Å
668	V	97.8	Very high	94.5	Very high	56 Å²	56	88 Å²	88	34%	0.339	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-83.3	129.9	173.9	179.5	0	0	0	0	108.9	D647 F649 F702	D647-V668 HydrophobicContact CB-CG1 4.01Å; D647-V668 WeakPolarHBondContact O-CG1 3.28Å; F649-V668 HydrophobicContact CB-CB 4.49Å; F649-V668 HydrophobicContact CB-CG2 3.96Å; F649-V668 HydrophobicContact CD1-CG2 4.21Å; F649-V668 HydrophobicContact CG-CG2 4.18Å; V668-F702 HydrophobicContact CG1-CB 3.65Å; V668-F702 HydrophobicContact CG1-CD1 4.3Å; V668-F702 HydrophobicContact CG1-CG 4.12Å; V668-F702 HydrophobicContact CG2-CB 4.04Å; V668-F702 HydrophobicContact CG2-CD2 4.35Å; V668-F702 HydrophobicContact CG2-CG 4.11Å
669	K	97.3	Very high	95.1	Very high	59 Å²	59	80.6 Å²	80.6	26%	0.257	39%	0.387	S	S	.	.			trans	-104.6	127.7	172.7	-58.9	-68.8	169.1	153.9	0	107.7	D647 P648 T672 P675 E676 F677	D647-K669 CarbonylContact C-O 3.52Å; D647-K669 WeakPolarHBondContact CA-O 3.31Å; P648-K669 WeakPolarHBondContact CD-O 3.44Å; P648-K669 HydrophobicContact CG-CB 4.38Å; P648-K669 VanDerWaalsContact N-O 3.11Å; P648-K669 PolarHBondContact O-N 3.25Å; K669-T672 HydrophobicContact CB-CG2 3.9Å; K669-P675 HydrophobicContact CB-CB 3.82Å; K669-P675 HydrophobicContact CG-CB 3.89Å; K669-E676 WeakPolarHBondContact CE-O 3.49Å; K669-E676 PolarHBondContact NZ-O 3.08Å; K669-F677 HydrophobicContact CB-CE1 4.47Å; K669-F677 HydrophobicContact CG-CD1 3.88Å; K669-F677 HydrophobicContact CG-CE1 3.59Å; K669-F677 HydrophobicContact CG-CZ 4.23Å
670	K	95.1	Very high	95.7	Very high	158 Å²	158	79 Å²	79	69%	0.687	38%	0.377	S	S	*	.			trans	-88.8	145.1	-171.3	-63.5	-177.7	178.8	177.6	0	112.9	D647 T672	D647-K670 WeakPolarHBondContact OD1-CA 3.3Å; K670-T672 PolarHBondContact O-N 3.08Å
671	A	92.7	Very high	96.1	Very high	54 Å²	54	70.9 Å²	70.9	45%	0.446	34%	0.342	S	S	.	.	S	Bend	trans	44.1	53.7	169.5	0	0	0	0	0	113.5	F645 S646 D647	F645-A671 HydrophobicContact CB-CB 4.36Å; S646-A671 CarbonylContact O-C 3.59Å; S646-A671 VanDerWaalsContact O-CA 3.27Å; S646-A671 WeakPolarHBondContact O-CA 3.27Å; S646-A671 PolarHBondContact O-N 3.42Å; S646-A671 VanDerWaalsContact O-N 3.13Å; D647-A671 PolarHBondContact OD1-N 3.03Å
672	T	93.3	Very high	96.4	Very high	33 Å²	33	67.1 Å²	67.1	20%	0.202	33%	0.326	C	S	.	.			trans	-147.4	138.1	-178.1	-176.9	0	0	0	0	113	S646 P648 K669 K670 F674 P675	S646-T672 PolarHBondContact O-N 2.96Å; P648-T672 VanDerWaalsContact CD-O 3.3Å; P648-T672 WeakPolarHBondContact CD-O 3.16Å; P648-T672 HydrophobicContact CG-CG2 4Å; P648-T672 WeakPolarHBondContact CG-O 3.42Å; K669-T672 HydrophobicContact CB-CG2 3.9Å; K670-T672 PolarHBondContact O-N 3.08Å; T672-F674 PolarHBondContact OG1-N 3.03Å; T672-P675 HydrophobicContact CG2-CB 3.89Å
673	L	92.8	Very high	96.6	Very high	32 Å²	32	66.4 Å²	66.4	17%	0.168	32%	0.321	C	S	.	.	S	Bend	trans	-97	1.3	169.7	-54.1	-178.3	0	0	0	112.5	N636 L637 P639 F645 P675	N636-L673 PolarHBondContact N-O 3.09Å; L637-L673 HydrophobicContact CB-CB 4.38Å; L637-L673 HydrophobicContact CB-CD2 4.25Å; L637-L673 PolarHBondContact N-O 3.24Å; L637-L673 VanDerWaalsContact N-O 3.16Å; L637-L673 WeakPolarHBondContact O-CD2 3.5Å; P639-L673 HydrophobicContact CB-CD1 4.32Å; P639-L673 HydrophobicContact CB-CD2 4.15Å; F645-L673 HydrophobicContact CD1-CG 4.47Å; L673-P675 VanDerWaalsContact C-CD 3.42Å
674	F	95.9	Very high	96.4	Very high	120 Å²	120	67.1 Å²	67.1	53%	0.526	33%	0.33	S	S	.	.	S	Bend	trans	-131.1	55.7	-179.2	-57.6	-87.8	0	0	0	110.8	C634 A635 N636 T672	C634-F674 WeakPolarHBondContact O-CA 3.13Å; A635-F674 HydrophobicContact CB-CD1 3.94Å; A635-F674 HydrophobicContact CB-CE1 4.18Å; N636-F674 WeakPolarHBondContact OD1-CE1 3.47Å; N636-F674 WeakPolarHBondContact OD1-CZ 3.42Å; T672-F674 PolarHBondContact OG1-N 3.03Å
675	P	96.8	Very high	96.2	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.013	32%	0.319	C	S	.	.			trans	-68.2	138.5	-178	30.5	-38.2	0	0	0	111.7	R633 C634 L637 P648 K669 T672 L673 F677	R633-P675 CarbonylContact C-O 3.49Å; R633-P675 WeakPolarHBondContact CA-O 3.33Å; R633-P675 VanDerWaalsContact CB-O 3.27Å; R633-P675 WeakPolarHBondContact CB-O 3.23Å; C634-P675 HydrophobicContact CB-CG 3.69Å; C634-P675 PolarHBondContact N-O 3.2Å; L637-P675 HydrophobicContact CD1-CG 3.77Å; P648-P675 HydrophobicContact CB-CB 4.45Å; P648-P675 HydrophobicContact CB-CG 4Å; P648-P675 HydrophobicContact CG-CB 3.63Å; P648-P675 HydrophobicContact CG-CG 3.5Å; P648-P675 VanDerWaalsContact CG-CG 3.5Å; K669-P675 HydrophobicContact CB-CB 3.82Å; K669-P675 HydrophobicContact CG-CB 3.89Å; T672-P675 HydrophobicContact CG2-CB 3.89Å; L673-P675 VanDerWaalsContact C-CD 3.42Å; P675-F677 HydrophobicContact CB-CD2 4.38Å; P675-F677 HydrophobicContact CB-CE1 4.35Å; P675-F677 HydrophobicContact CB-CE2 3.65Å; P675-F677 HydrophobicContact CB-CZ 3.63Å; P675-F677 HydrophobicContact CG-CE2 3.58Å; P675-F677 HydrophobicContact CG-CZ 3.79Å
676	E	97.6	Very high	96	Very high	112 Å²	112	61 Å²	61	52%	0.523	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122	166.8	-64	-172.7	163.2	0	0	109.1	R633 K669	R633-E676 HydrophobicContact CB-CB 4.46Å; R633-E676 HydrophobicContact CB-CG 4.03Å; K669-E676 WeakPolarHBondContact CE-O 3.49Å; K669-E676 PolarHBondContact NZ-O 3.08Å
677	F	97.9	Very high	95.7	Very high	10 Å²	10	62 Å²	62	4%	0.044	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-56.1	-177	-61.2	-80.8	0	0	0	110.8	V631 I632 P648 V650 T666 Q667 K669 P675 E679	V631-F677 HydrophobicContact CG1-CB 4.05Å; V631-F677 HydrophobicContact CG1-CD2 3.75Å; V631-F677 HydrophobicContact CG1-CE2 4.48Å; V631-F677 HydrophobicContact CG1-CG 4.06Å; V631-F677 WeakPolarHBondContact O-CB 3.45Å; I632-F677 PolarHBondContact O-N 2.95Å; P648-F677 HydrophobicContact CB-CZ 4.41Å; V650-F677 HydrophobicContact CG2-CD2 4.33Å; V650-F677 HydrophobicContact CG2-CE2 3.79Å; V650-F677 HydrophobicContact CG2-CZ 3.9Å; T666-F677 HydrophobicContact CG2-CB 4.4Å; T666-F677 HydrophobicContact CG2-CD1 4.03Å; T666-F677 HydrophobicContact CG2-CG 4.23Å; T666-F677 WeakPolarHBondContact OG1-CD1 3.36Å; T666-F677 WeakPolarHBondContact OG1-CE1 3.1Å; Q667-F677 WeakPolarHBondContact O-CE1 3.04Å; K669-F677 HydrophobicContact CB-CE1 4.47Å; K669-F677 HydrophobicContact CG-CD1 3.88Å; K669-F677 HydrophobicContact CG-CE1 3.59Å; K669-F677 HydrophobicContact CG-CZ 4.23Å; P675-F677 HydrophobicContact CB-CD2 4.38Å; P675-F677 HydrophobicContact CB-CE1 4.35Å; P675-F677 HydrophobicContact CB-CE2 3.65Å; P675-F677 HydrophobicContact CB-CZ 3.63Å; P675-F677 HydrophobicContact CG-CE2 3.58Å; P675-F677 HydrophobicContact CG-CZ 3.79Å; F677-E679 VanDerWaalsContact C-N 3.29Å; F677-E679 HydrophobicContact CB-CG 4.38Å; F677-E679 PolarHBondContact O-N 3.5Å
678	H	97.2	Very high	95.4	Very high	104 Å²	104	61 Å²	61	48%	0.481	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.7	44.4	-172.3	-61.8	-75.7	0	0	0	112.9	V631 I632	V631-H678 WeakPolarHBondContact O-CA 3.29Å; V631-H678 PolarHBondContact O-N 3.35Å; I632-H678 PolarHBondContact O-N 3.45Å; I632-H678 VanDerWaalsContact O-N 3.09Å
679	E	98.3	Very high	95.1	Very high	34 Å²	34	61 Å²	61	16%	0.159	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	-178.1	-67	-176.9	-128.3	0	0	110.9	E630 V631 T666 Q667 F677 F681	E630-E679 CarbonylContact C-O 3.15Å; E630-E679 WeakPolarHBondContact CA-O 3.47Å; V631-E679 PolarHBondContact N-O 3.28Å; V631-E679 PolarHBondContact O-N 2.99Å; T666-E679 VanDerWaalsContact CA-OE2 3.27Å; T666-E679 WeakPolarHBondContact CA-OE2 3.4Å; T666-E679 WeakPolarHBondContact CB-OE1 3.42Å; T666-E679 HydrophobicContact CG2-CB 4.35Å; Q667-E679 WeakPolarHBondContact CB-OE1 3.24Å; Q667-E679 WeakPolarHBondContact CG-OE1 3.4Å; Q667-E679 PolarHBondContact N-OE1 3.36Å; Q667-E679 PolarHBondContact N-OE2 3.23Å; F677-E679 VanDerWaalsContact C-N 3.29Å; F677-E679 HydrophobicContact CB-CG 4.38Å; F677-E679 PolarHBondContact O-N 3.5Å; E679-F681 HydrophobicContact CB-CE2 4Å; E679-F681 HydrophobicContact CB-CZ 4Å
680	T	97.7	Very high	94.8	Very high	62 Å²	62	58.4 Å²	58.4	38%	0.38	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.8	-178.5	-55.2	0	0	0	0	111.3	Y628 V629 F682	Y628-T680 HydrophobicContact CD2-CG2 4.01Å; V629-T680 CarbonylContact O-C 3.53Å; V629-T680 WeakPolarHBondContact O-CA 3.29Å; T680-F682 HydrophobicContact CG2-CE2 3.93Å; T680-F682 HydrophobicContact CG2-CZ 3.88Å
681	F	97.8	Very high	94.6	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.075	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.2	179.8	-57.7	-74.8	0	0	0	110.2	Y628 V629 V631 L652 Q664 K665 T666 E679	Y628-F681 CarbonylContact C-O 3.45Å; Y628-F681 VanDerWaalsContact CA-O 3.27Å; Y628-F681 WeakPolarHBondContact CA-O 3.31Å; V629-F681 PolarHBondContact N-O 3.41Å; V629-F681 PolarHBondContact O-N 3.12Å; V631-F681 HydrophobicContact CB-CE2 4.35Å; V631-F681 HydrophobicContact CG2-CD2 4.07Å; V631-F681 HydrophobicContact CG2-CE2 3.79Å; L652-F681 HydrophobicContact CD1-CD2 3.65Å; L652-F681 HydrophobicContact CD1-CE2 3.6Å; L652-F681 HydrophobicContact CD1-CG 4.28Å; L652-F681 HydrophobicContact CD1-CZ 4.18Å; L652-F681 HydrophobicContact CD2-CD2 4.13Å; Q664-F681 HydrophobicContact CB-CD1 3.64Å; Q664-F681 HydrophobicContact CB-CE1 4.08Å; Q664-F681 HydrophobicContact CB-CG 4.16Å; Q664-F681 HydrophobicContact CG-CD1 4.34Å; K665-F681 WeakPolarHBondContact O-CE1 3.42Å; K665-F681 WeakPolarHBondContact O-CZ 3.14Å; T666-F681 HydrophobicContact CG2-CE2 3.74Å; T666-F681 HydrophobicContact CG2-CZ 3.72Å; E679-F681 HydrophobicContact CB-CE2 4Å; E679-F681 HydrophobicContact CB-CZ 4Å
682	F	96.8	Very high	94.5	Very high	96 Å²	96	54.7 Å²	54.7	42%	0.421	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140	-178.6	-63.5	-91.1	0	0	0	110.7	L621 Y628 Q664 T680	L621-F682 HydrophobicContact CD1-CD1 4.45Å; L621-F682 HydrophobicContact CD1-CE1 4.02Å; Y628-F682 HydrophobicContact CG-CE1 4.38Å; Q664-F682 PolarHBondContact NE2-O 3.1Å; T680-F682 HydrophobicContact CG2-CE2 3.93Å; T680-F682 HydrophobicContact CG2-CZ 3.88Å
683	Y	96	Very high	94.5	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.035	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.1	177.8	-71.2	-72.1	0	0	0	110.2	Q626 L627 V629 L652 L654 T662 Q664 L685 L695	Q626-Y683 CarbonylContact C-O 3.52Å; Q626-Y683 VanDerWaalsContact CA-O 3.26Å; Q626-Y683 WeakPolarHBondContact CA-O 3.44Å; L627-Y683 PolarHBondContact N-O 2.98Å; L627-Y683 PolarHBondContact O-N 2.74Å; V629-Y683 HydrophobicContact CG2-CD2 4.25Å; V629-Y683 HydrophobicContact CG2-CE2 4.36Å; L652-Y683 VanDerWaalsContact CB-OH 3.27Å; L652-Y683 WeakPolarHBondContact CB-OH 3.33Å; L652-Y683 PolarHBondContact O-OH 2.99Å; L654-Y683 HydrophobicContact CB-CD1 3.96Å; L654-Y683 HydrophobicContact CB-CE1 4.09Å; L654-Y683 HydrophobicContact CB-CG 4.38Å; L654-Y683 HydrophobicContact CD2-CD1 4.31Å; L654-Y683 HydrophobicContact CD2-CG 4.31Å; T662-Y683 WeakPolarHBondContact O-CE1 3.4Å; T662-Y683 PolarHBondContact O-OH 3.09Å; Q664-Y683 HydrophobicContact CG-CE1 4.27Å; Y683-L685 PolarHBondContact O-N 2.98Å; Y683-L695 HydrophobicContact CD2-CD1 4.41Å; Y683-L695 HydrophobicContact CE2-CD1 3.88Å
684	D	93.8	Very high	94.5	Very high	126 Å²	126	56.4 Å²	56.4	67%	0.674	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	114.5	169.2	-59.5	-34.4	0	0	0	108.8	Q626	Q626-D684 WeakPolarHBondContact CG-OD1 3.4Å; Q626-D684 PolarHBondContact NE2-OD1 2.85Å
685	L	93.2	Very high	94.5	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	29%	0.287	C	S	.	.			trans	-157	115.5	-174.3	174.2	58.5	0	0	0	109.5	Y620 K625 L627 L654 Y683 E689 R693 W728 F732	Y620-L685 WeakPolarHBondContact CE2-O 3.22Å; Y620-L685 PolarHBondContact OH-O 3.49Å; K625-L685 CarbonylContact C-O 3.51Å; K625-L685 CarbonylContact O-C 3.52Å; K625-L685 PolarHBondContact O-N 2.97Å; L627-L685 HydrophobicContact CB-CB 4.31Å; L627-L685 HydrophobicContact CB-CD2 4.09Å; L627-L685 HydrophobicContact CD2-CD2 4.04Å; L654-L685 HydrophobicContact CD1-CD2 4.38Å; L654-L685 HydrophobicContact CD2-CB 4.37Å; L654-L685 HydrophobicContact CD2-CD2 4.36Å; Y683-L685 PolarHBondContact O-N 2.98Å; L685-E689 HydrophobicContact CD1-CB 3.61Å; L685-R693 HydrophobicContact CD1-CB 4.25Å; L685-R693 HydrophobicContact CD1-CG 3.65Å; L685-W728 HydrophobicContact CD2-CH2 4.49Å; L685-W728 HydrophobicContact CD2-CZ2 4.38Å; L685-F732 HydrophobicContact CD2-CE1 3.77Å; L685-F732 HydrophobicContact CD2-CZ 3.51Å; L685-F732 HydrophobicContact CG-CE1 4.14Å; L685-F732 HydrophobicContact CG-CZ 4.36Å
686	N	92.7	Very high	94.5	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.294	29%	0.289	S	S	.	.			trans	-69.9	143.5	173.1	-62.4	-56.2	0	0	0	111.1	K625 S688 E689	K625-N686 WeakPolarHBondContact CD-OD1 3.39Å; N686-S688 PolarHBondContact O-N 3.33Å; N686-S688 VanDerWaalsContact O-N 3.15Å; N686-E689 HydrophobicContact CB-CG 4.23Å; N686-E689 PolarHBondContact ND2-OE1 2.99Å; N686-E689 WeakPolarHBondContact O-CB 3.46Å; N686-E689 PolarHBondContact O-N 2.91Å
687	A	91.7	Very high	94.4	Very high	29 Å²	29	45.8 Å²	45.8	24%	0.24	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-54.9	-33.5	174.4	0	0	0	0	0	113.2	Y620 E689 A690 F732	Y620-A687 HydrophobicContact CE1-CB 3.79Å; Y620-A687 PolarHBondContact OH-N 3.09Å; Y620-A687 VanDerWaalsContact OH-N 3.08Å; A687-E689 PolarHBondContact O-N 3.01Å; A687-A690 VanDerWaalsContact O-CB 3.27Å; A687-A690 WeakPolarHBondContact O-CB 3.41Å; A687-A690 PolarHBondContact O-N 3.47Å; A687-F732 HydrophobicContact CB-CB 4.38Å; A687-F732 HydrophobicContact CB-CD1 4.24Å
688	S	91.8	Very high	94.4	Very high	111 Å²	111	45.5 Å²	45.5	78%	0.776	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64.7	-24.7	175.1	55.4	0	0	0	0	113.9	N686	N686-S688 PolarHBondContact O-N 3.33Å; N686-S688 VanDerWaalsContact O-N 3.15Å
689	E	91.9	Very high	94.4	Very high	55 Å²	55	40.5 Å²	40.5	26%	0.257	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-86.3	-11.6	179.3	-69.5	176.7	-143.2	0	0	112.8	L685 N686 A687 G691 S692 R693	L685-E689 HydrophobicContact CD1-CB 3.61Å; N686-E689 HydrophobicContact CB-CG 4.23Å; N686-E689 PolarHBondContact ND2-OE1 2.99Å; N686-E689 WeakPolarHBondContact O-CB 3.46Å; N686-E689 PolarHBondContact O-N 2.91Å; A687-E689 PolarHBondContact O-N 3.01Å; E689-G691 PolarHBondContact O-N 2.87Å; E689-S692 PolarHBondContact O-N 3.36Å; E689-S692 PolarHBondContact O-OG 2.98Å; E689-R693 HydrophobicContact CB-CG 4.23Å; E689-R693 VanDerWaalsContact O-CG 3.3Å; E689-R693 WeakPolarHBondContact O-CG 3.32Å; E689-R693 PolarHBondContact O-N 2.81Å; E689-R693 IonicContact OE2-CZ 2.6Å; E689-R693 IonicContact OE2-NE 2.71Å; E689-R693 PolarHBondContact OE2-NE 3.06Å; E689-R693 IonicContact OE2-NH2 2.81Å; E689-R693 PolarHBondContact OE2-NH2 3.21Å
690	A	90.9	Very high	94.4	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30.6	-175.4	0	0	0	0	0	113.5	A687 S692 W728 F732	A687-A690 VanDerWaalsContact O-CB 3.27Å; A687-A690 WeakPolarHBondContact O-CB 3.41Å; A687-A690 PolarHBondContact O-N 3.47Å; A690-S692 PolarHBondContact O-N 3.05Å; A690-W728 PolarHBondContact O-NE1 2.95Å; A690-F732 HydrophobicContact CB-CB 4.18Å; A690-F732 HydrophobicContact CB-CD1 3.96Å; A690-F732 HydrophobicContact CB-CD2 3.42Å; A690-F732 VanDerWaalsContact CB-CD2 3.42Å; A690-F732 HydrophobicContact CB-CE1 4.15Å; A690-F732 HydrophobicContact CB-CE2 3.68Å; A690-F732 HydrophobicContact CB-CG 3.58Å; A690-F732 HydrophobicContact CB-CZ 4.03Å
691	G	90.6	Very high	94.3	Very high	56 Å²	56	38.4 Å²	38.4	58%	0.577	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-67.2	-19.8	175.8	0	0	0	0	0	115	E689 A718	E689-G691 PolarHBondContact O-N 2.87Å; G691-A718 WeakPolarHBondContact O-CB 3.29Å
692	S	90.6	Very high	94.2	Very high	78 Å²	78	41.6 Å²	41.6	55%	0.545	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-115.7	4.1	-172.8	68.2	0	0	0	0	113.8	E689 A690	E689-S692 PolarHBondContact O-N 3.36Å; E689-S692 PolarHBondContact O-OG 2.98Å; A690-S692 PolarHBondContact O-N 3.05Å
693	R	92.7	Very high	93.9	Very high	57 Å²	57	38.4 Å²	38.4	22%	0.215	23%	0.225	C	C	.	.			trans	-120.5	146.3	-172.9	-63.4	-74.1	-166.2	167.4	7.4	110.5	L654 R655 P656 L685 E689 W728	L654-R693 HydrophobicContact CD1-CB 4.2Å; R655-R693 CarbonylContact O-C 3.41Å; R655-R693 WeakPolarHBondContact O-CA 3.32Å; P656-R693 PolarHBondContact O-NH1 3.27Å; L685-R693 HydrophobicContact CD1-CB 4.25Å; L685-R693 HydrophobicContact CD1-CG 3.65Å; E689-R693 HydrophobicContact CB-CG 4.23Å; E689-R693 VanDerWaalsContact O-CG 3.3Å; E689-R693 WeakPolarHBondContact O-CG 3.32Å; E689-R693 PolarHBondContact O-N 2.81Å; E689-R693 IonicContact OE2-CZ 2.6Å; E689-R693 IonicContact OE2-NE 2.71Å; E689-R693 PolarHBondContact OE2-NE 3.06Å; E689-R693 IonicContact OE2-NH2 2.81Å; E689-R693 PolarHBondContact OE2-NH2 3.21Å; R693-W728 HydrophobicContact CB-CZ2 4.35Å
694	T	93.4	Very high	93.3	Very high	45 Å²	45	49 Å²	49	28%	0.276	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.4	179.5	-57.5	0	0	0	0	109.2	R655 T715 L716	R655-T694 WeakPolarHBondContact CA-O 3.44Å; R655-T694 WeakPolarHBondContact CB-O 3.43Å; R655-T694 PolarHBondContact N-O 3.19Å; R655-T694 PolarHBondContact O-N 2.87Å; T694-T715 HydrophobicContact CG2-CG2 3.78Å; T694-L716 CarbonylContact C-O 3.49Å; T694-L716 VanDerWaalsContact CA-O 3.31Å; T694-L716 WeakPolarHBondContact CA-O 3.13Å
695	L	95.8	Very high	92.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.6	168.5	-177.2	69	0	0	0	109.1	L618 V629 Y683 I697 T715 L716 W728	L618-L695 HydrophobicContact CD2-CD2 4.17Å; V629-L695 HydrophobicContact CG1-CD2 4.12Å; V629-L695 HydrophobicContact CG2-CD1 4.43Å; V629-L695 HydrophobicContact CG2-CD2 3.61Å; Y683-L695 HydrophobicContact CD2-CD1 4.41Å; Y683-L695 HydrophobicContact CE2-CD1 3.88Å; L695-I697 HydrophobicContact CB-CD1 4.38Å; L695-I697 HydrophobicContact CD2-CD1 3.81Å; L695-I697 HydrophobicContact CD2-CG1 4.22Å; L695-I697 HydrophobicContact CG-CD1 3.68Å; L695-I697 HydrophobicContact CG-CG1 4.05Å; L695-T715 CarbonylContact O-C 3.59Å; L695-T715 WeakPolarHBondContact O-CA 3.15Å; L695-L716 HydrophobicContact CB-CB 4.46Å; L695-L716 PolarHBondContact N-O 2.87Å; L695-L716 PolarHBondContact O-N 2.89Å; L695-W728 HydrophobicContact CB-CH2 3.77Å; L695-W728 HydrophobicContact CB-CZ3 3.52Å; L695-W728 HydrophobicContact CD2-CZ3 4.25Å
696	E	95.3	Very high	91.8	Very high	10 Å²	10	52 Å²	52	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124	173.8	173.8	179.8	-153.6	0	0	109.1	Y566 L652 Y653 R655 T698 T715	Y566-E696 HydrophobicContact CE2-CG 4.12Å; Y566-E696 PolarHBondContact OH-OE1 3.09Å; L652-E696 CarbonylContact C-O 3.53Å; L652-E696 WeakPolarHBondContact CA-O 3.47Å; Y653-E696 PolarHBondContact N-O 2.79Å; Y653-E696 PolarHBondContact O-N 3.34Å; R655-E696 HydrophobicContact CG-CB 4.22Å; R655-E696 IonicContact CZ-OE2 2.77Å; R655-E696 VanDerWaalsContact CZ-OE2 3.27Å; R655-E696 IonicContact NE-OE2 2.91Å; R655-E696 PolarHBondContact NE-OE2 3.18Å; R655-E696 IonicContact NH2-OE2 2.7Å; R655-E696 PolarHBondContact NH2-OE2 2.87Å; E696-T698 HydrophobicContact CG-CG2 4.29Å; E696-T715 HydrophobicContact CB-CG2 4.22Å; E696-T715 HydrophobicContact CG-CG2 4.47Å
697	I	96.9	Very high	91.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.6	-180	-53.6	96.9	0	0	0	108.5	I614 L616 V650 L652 L695 G713 L714 L716	I614-I697 HydrophobicContact CD1-CG2 4.11Å; L616-I697 HydrophobicContact CD1-CD1 4.15Å; L616-I697 HydrophobicContact CD1-CG1 4.22Å; V650-I697 HydrophobicContact CG1-CG2 3.47Å; V650-I697 VanDerWaalsContact CG1-CG2 3.47Å; L652-I697 HydrophobicContact CD2-CG1 4.36Å; L695-I697 HydrophobicContact CB-CD1 4.38Å; L695-I697 HydrophobicContact CD2-CD1 3.81Å; L695-I697 HydrophobicContact CD2-CG1 4.22Å; L695-I697 HydrophobicContact CG-CD1 3.68Å; L695-I697 HydrophobicContact CG-CG1 4.05Å; I697-G713 CarbonylContact O-C 3.54Å; I697-G713 WeakPolarHBondContact O-CA 3.18Å; I697-L714 HydrophobicContact CB-CG 4.34Å; I697-L714 HydrophobicContact CD1-CD1 3.88Å; I697-L714 HydrophobicContact CD1-CG 4.26Å; I697-L714 PolarHBondContact N-O 2.87Å; I697-L714 PolarHBondContact O-N 3.33Å; I697-L716 HydrophobicContact CD1-CD1 4.07Å; I697-L716 HydrophobicContact CD1-CG 4.08Å
698	T	97	Very high	91.7	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.8	-178.8	54.4	0	0	0	0	111.1	Y566 V650 K651 E696 W700 F710 G712	Y566-T698 HydrophobicContact CE1-CG2 4.3Å; Y566-T698 WeakPolarHBondContact OH-CG2 3.08Å; V650-T698 CarbonylContact C-O 3.49Å; V650-T698 WeakPolarHBondContact CA-O 3.28Å; K651-T698 PolarHBondContact N-O 3.43Å; K651-T698 PolarHBondContact O-N 3.01Å; K651-T698 PolarHBondContact O-OG1 2.93Å; E696-T698 HydrophobicContact CG-CG2 4.29Å; T698-W700 VanDerWaalsContact CB-NE1 3.32Å; T698-W700 PolarHBondContact OG1-NE1 2.96Å; T698-F710 HydrophobicContact CG2-CE2 3.88Å; T698-G712 CarbonylContact C-O 3.59Å; T698-G712 WeakPolarHBondContact CA-O 3.49Å
699	V	97.9	Very high	91.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.7	177.2	-170.3	0	0	0	0	108.3	I614 L637 P648 F649 V650 I711 G712 L745	I614-V699 HydrophobicContact CD1-CG2 4.19Å; L637-V699 HydrophobicContact CD1-CG1 4.09Å; L637-V699 HydrophobicContact CD2-CG1 4.35Å; P648-V699 HydrophobicContact CB-CG1 4.31Å; F649-V699 WeakPolarHBondContact O-CA 3.46Å; V650-V699 HydrophobicContact CG2-CG2 4.17Å; V699-I711 HydrophobicContact CB-CB 4.32Å; V699-I711 HydrophobicContact CG1-CB 4.24Å; V699-I711 HydrophobicContact CG1-CD1 4.18Å; V699-I711 HydrophobicContact CG1-CG2 4.48Å; V699-I711 WeakPolarHBondContact O-CB 3.28Å; V699-I711 PolarHBondContact O-N 3.28Å; V699-G712 PolarHBondContact N-O 2.99Å; V699-G712 PolarHBondContact O-N 2.83Å; V699-G712 VanDerWaalsContact O-N 3.16Å; V699-L745 HydrophobicContact CB-CD1 4.23Å; V699-L745 HydrophobicContact CG2-CD1 3.68Å; V699-L745 HydrophobicContact CG2-CD2 3.79Å; V699-L745 HydrophobicContact CG2-CG 4.42Å
700	W	97.6	Very high	91.9	Very high	51 Å²	51	50.7 Å²	50.7	19%	0.193	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.3	-173.7	-65	78.7	0	0	0	109.5	P648 F649 K651 T698 N708 D709 F710	P648-W700 CarbonylContact C-O 3.58Å; P648-W700 VanDerWaalsContact CA-O 3.25Å; P648-W700 WeakPolarHBondContact CA-O 3.12Å; F649-W700 HydrophobicContact CD1-CB 3.85Å; F649-W700 WeakPolarHBondContact CD1-O 3.44Å; F649-W700 HydrophobicContact CE1-CB 3.34Å; F649-W700 HydrophobicContact CE1-CG 4.36Å; F649-W700 HydrophobicContact CE2-CB 4.16Å; F649-W700 HydrophobicContact CE2-CG 4.48Å; F649-W700 HydrophobicContact CG-CB 4.44Å; F649-W700 HydrophobicContact CZ-CB 3.52Å; F649-W700 HydrophobicContact CZ-CG 4.08Å; F649-W700 PolarHBondContact N-O 2.83Å; F649-W700 PolarHBondContact O-N 3Å; K651-W700 HydrophobicContact CD-CG 4.35Å; T698-W700 VanDerWaalsContact CB-NE1 3.32Å; T698-W700 PolarHBondContact OG1-NE1 2.96Å; W700-N708 HydrophobicContact CE3-CB 4.03Å; W700-N708 WeakPolarHBondContact CZ3-O 3.16Å; W700-D709 CarbonylContact C-O 3.53Å; W700-D709 VanDerWaalsContact CA-O 3.3Å; W700-D709 WeakPolarHBondContact CA-O 3.23Å; W700-F710 HydrophobicContact CD2-CD2 4.18Å; W700-F710 AromaticContact CE2-CD2 3.81Å; W700-F710 HydrophobicContact CE3-CB 4.16Å; W700-F710 HydrophobicContact CE3-CD2 4.42Å; W700-F710 HydrophobicContact CH2-CB 4.3Å; W700-F710 HydrophobicContact CH2-CD2 4.02Å; W700-F710 AromaticContact CZ2-CD2 3.74Å; W700-F710 HydrophobicContact CZ2-CD2 3.74Å; W700-F710 HydrophobicContact CZ2-CE2 4.42Å; W700-F710 HydrophobicContact CZ3-CB 3.96Å; W700-F710 HydrophobicContact CZ3-CD2 4.35Å
701	D	96.5	Very high	92.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.3	165.5	-158.1	-14.1	0	0	0	109.3	M640 S646 D647 D703 N708 D709 I711	M640-D701 HydrophobicContact CB-CB 4.07Å; M640-D701 VanDerWaalsContact CB-OD2 3.26Å; M640-D701 WeakPolarHBondContact CB-OD2 3.3Å; M640-D701 HydrophobicContact CG-CB 4.03Å; S646-D701 WeakPolarHBondContact CA-OD2 3.28Å; S646-D701 WeakPolarHBondContact CB-OD2 3.34Å; S646-D701 PolarHBondContact OG-OD2 3.45Å; D647-D701 WeakPolarHBondContact CA-OD1 3.49Å; D647-D701 WeakPolarHBondContact CB-OD1 3.29Å; D647-D701 PolarHBondContact N-OD1 2.93Å; D701-D703 PolarHBondContact O-N 2.87Å; D701-N708 WeakPolarHBondContact O-CA 3.18Å; D701-N708 WeakPolarHBondContact O-CB 3.47Å; D701-D709 HydrophobicContact CB-CB 4.01Å; D701-D709 PolarHBondContact N-O 2.93Å; D701-D709 PolarHBondContact O-N 2.82Å; D701-I711 HydrophobicContact CB-CD1 3.98Å; D701-I711 HydrophobicContact CB-CG1 4.12Å
702	F	96.1	Very high	92.2	Very high	84 Å²	84	47.8 Å²	47.8	37%	0.368	26%	0.257	S	S	.	.			trans	-91.5	103.5	177.3	176.4	-97.3	0	0	0	110.6	D647 F649 V668 N708	D647-F702 HydrophobicContact CB-CB 3.98Å; D647-F702 WeakPolarHBondContact O-CB 3.43Å; D647-F702 PolarHBondContact O-N 3.23Å; F649-F702 HydrophobicContact CD1-CB 3.97Å; F649-F702 HydrophobicContact CE1-CB 4Å; V668-F702 HydrophobicContact CG1-CB 3.65Å; V668-F702 HydrophobicContact CG1-CD1 4.3Å; V668-F702 HydrophobicContact CG1-CG 4.12Å; V668-F702 HydrophobicContact CG2-CB 4.04Å; V668-F702 HydrophobicContact CG2-CD2 4.35Å; V668-F702 HydrophobicContact CG2-CG 4.11Å; F702-N708 WeakPolarHBondContact CA-OD1 3.43Å; F702-N708 VanDerWaalsContact CD2-OD1 3.3Å; F702-N708 WeakPolarHBondContact CD2-OD1 3.46Å
703	D	90.6	Very high	92.4	Very high	29 Å²	29	44.1 Å²	44.1	16%	0.155	23%	0.231	C	C	.	.			trans	-95.6	144.2	175.2	-60.6	-68.1	0	0	0	111.6	D701 G705 N708 D709	D701-D703 PolarHBondContact O-N 2.87Å; D703-G705 PolarHBondContact O-N 3.09Å; D703-N708 PolarHBondContact N-OD1 2.89Å; D703-D709 PolarHBondContact OD2-N 2.77Å
704	R	82.4	Confident	92.4	Very high	233 Å²	233	41.4 Å²	41.4	88%	0.879	22%	0.221	S	C	*	.	S	Bend	trans	-72.2	-4.9	167.9	-61.6	-174.5	-171.4	176.2	5.3	112.8
705	G	77.8	Confident	92.4	Very high	48 Å²	48	40.5 Å²	40.5	50%	0.495	22%	0.216	S	C	.	.	S	Bend	trans	-76	-166.7	178.8	0	0	0	0	0	114.2	D703 S707	D703-G705 PolarHBondContact O-N 3.09Å; G705-S707 VanDerWaalsContact C-N 3.29Å; G705-S707 PolarHBondContact O-N 2.88Å
706	P	78.7	Confident	92.3	Very high	143 Å²	143	40.5 Å²	40.5	93%	0.929	22%	0.216	S	C	*	.	S	Bend	trans	-69.9	-25.6	-175.4	28.4	-34.8	0	0	0	113.4
707	S	89.1	Confident	92.1	Very high	74 Å²	74	40 Å²	40	52%	0.517	21%	0.213	S	C	.	.	S	Bend	trans	-144.3	151.1	-177.7	53	0	0	0	0	110.3	G705	G705-S707 VanDerWaalsContact C-N 3.29Å; G705-S707 PolarHBondContact O-N 2.88Å
708	N	93.1	Very high	91.5	Very high	50 Å²	50	41 Å²	41	27%	0.267	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-81.9	137.3	172.3	-64.1	-64.1	0	0	0	109.1	F649 W700 D701 F702 D703	F649-N708 HydrophobicContact CE1-CB 4.27Å; F649-N708 HydrophobicContact CZ-CB 4.32Å; W700-N708 HydrophobicContact CE3-CB 4.03Å; W700-N708 WeakPolarHBondContact CZ3-O 3.16Å; D701-N708 WeakPolarHBondContact O-CA 3.18Å; D701-N708 WeakPolarHBondContact O-CB 3.47Å; F702-N708 WeakPolarHBondContact CA-OD1 3.43Å; F702-N708 VanDerWaalsContact CD2-OD1 3.3Å; F702-N708 WeakPolarHBondContact CD2-OD1 3.46Å; D703-N708 PolarHBondContact N-OD1 2.89Å
709	D	93.2	Very high	90.8	Very high	64 Å²	64	43.4 Å²	43.4	34%	0.342	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-76.4	139.6	177.6	-73.3	-23.7	0	0	0	112.8	M640 W700 D701 D703 I711	M640-D709 HydrophobicContact CB-CB 4.03Å; M640-D709 HydrophobicContact CE-CB 3.76Å; M640-D709 HydrophobicContact CG-CB 4.3Å; W700-D709 CarbonylContact C-O 3.53Å; W700-D709 VanDerWaalsContact CA-O 3.3Å; W700-D709 WeakPolarHBondContact CA-O 3.23Å; D701-D709 HydrophobicContact CB-CB 4.01Å; D701-D709 PolarHBondContact N-O 2.93Å; D701-D709 PolarHBondContact O-N 2.82Å; D703-D709 PolarHBondContact OD2-N 2.77Å; D709-I711 PolarHBondContact O-N 2.99Å
710	F	94	Very high	90	Very high	34 Å²	34	44 Å²	44	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.4	179.5	178.6	-97.5	0	0	0	110.4	Y566 R611 M640 T698 W700 G712 N747 R748	Y566-F710 HydrophobicContact CD1-CZ 4.41Å; Y566-F710 HydrophobicContact CE1-CE2 4.42Å; Y566-F710 AromaticContact CE1-CZ 3.79Å; Y566-F710 HydrophobicContact CE1-CZ 3.79Å; R611-F710 PolarHBondContact NH2-O 3.3Å; M640-F710 WeakPolarHBondContact CE-O 3.44Å; T698-F710 HydrophobicContact CG2-CE2 3.88Å; W700-F710 HydrophobicContact CD2-CD2 4.18Å; W700-F710 AromaticContact CE2-CD2 3.81Å; W700-F710 HydrophobicContact CE3-CB 4.16Å; W700-F710 HydrophobicContact CE3-CD2 4.42Å; W700-F710 HydrophobicContact CH2-CB 4.3Å; W700-F710 HydrophobicContact CH2-CD2 4.02Å; W700-F710 AromaticContact CZ2-CD2 3.74Å; W700-F710 HydrophobicContact CZ2-CD2 3.74Å; W700-F710 HydrophobicContact CZ2-CE2 4.42Å; W700-F710 HydrophobicContact CZ3-CB 3.96Å; W700-F710 HydrophobicContact CZ3-CD2 4.35Å; F710-G712 VanDerWaalsContact CE1-CA 3.41Å; F710-G712 VanDerWaalsContact CZ-CA 3.42Å; F710-N747 WeakPolarHBondContact CD1-OD1 3.18Å; F710-N747 WeakPolarHBondContact CE1-OD1 3.49Å; F710-R748 HydrophobicContact CD1-CB 4.48Å; F710-R748 HydrophobicContact CE1-CB 3.83Å; F710-R748 VanDerWaalsContact CE1-N 3.35Å; F710-R748 HydrophobicContact CZ-CB 3.84Å
711	I	94.1	Very high	88.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-45.2	178.2	-62	173.3	0	0	0	110.5	R611 L637 A638 M640 P648 V699 D701 D709	R611-I711 WeakPolarHBondContact CB-O 3.49Å; R611-I711 WeakPolarHBondContact CD-O 3.46Å; R611-I711 PolarHBondContact NE-O 2.88Å; L637-I711 HydrophobicContact CB-CG2 4.27Å; L637-I711 HydrophobicContact CD1-CD1 4.48Å; L637-I711 HydrophobicContact CD2-CG2 4.15Å; A638-I711 HydrophobicContact CB-CG2 4.41Å; M640-I711 HydrophobicContact CG-CD1 4.39Å; M640-I711 HydrophobicContact CG-CG1 3.65Å; M640-I711 HydrophobicContact SD-CG1 4.27Å; P648-I711 HydrophobicContact CB-CD1 4.3Å; V699-I711 HydrophobicContact CB-CB 4.32Å; V699-I711 HydrophobicContact CG1-CB 4.24Å; V699-I711 HydrophobicContact CG1-CD1 4.18Å; V699-I711 HydrophobicContact CG1-CG2 4.48Å; V699-I711 WeakPolarHBondContact O-CB 3.28Å; V699-I711 PolarHBondContact O-N 3.28Å; D701-I711 HydrophobicContact CB-CD1 3.98Å; D701-I711 HydrophobicContact CB-CG1 4.12Å; D709-I711 PolarHBondContact O-N 2.99Å
712	G	94.3	Very high	87.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	165.4	-177.3	0	0	0	0	0	113	T698 V699 F710 S746	T698-G712 CarbonylContact C-O 3.59Å; T698-G712 WeakPolarHBondContact CA-O 3.49Å; V699-G712 PolarHBondContact N-O 2.99Å; V699-G712 PolarHBondContact O-N 2.83Å; V699-G712 VanDerWaalsContact O-N 3.16Å; F710-G712 VanDerWaalsContact CE1-CA 3.41Å; F710-G712 VanDerWaalsContact CZ-CA 3.42Å; G712-S746 CarbonylContact C-O 3.53Å; G712-S746 VanDerWaalsContact CA-O 3.23Å; G712-S746 WeakPolarHBondContact CA-O 3.36Å
713	G	94	Very high	87.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	173	-178.3	0	0	0	0	0	113.4	Y566 I697 S746	Y566-G713 VanDerWaalsContact CD1-C 3.41Å; I697-G713 CarbonylContact O-C 3.54Å; I697-G713 WeakPolarHBondContact O-CA 3.18Å; G713-S746 PolarHBondContact N-O 3.05Å; G713-S746 PolarHBondContact O-N 3.33Å; G713-S746 VanDerWaalsContact O-N 3.12Å
714	L	92.7	Very high	86.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	162.6	174.5	72.6	107	0	0	0	110.7	I614 I697 L716 F743 L745	I614-L714 HydrophobicContact CG2-CD2 3.44Å; I614-L714 VanDerWaalsContact CG2-CD2 3.44Å; I697-L714 HydrophobicContact CB-CG 4.34Å; I697-L714 HydrophobicContact CD1-CD1 3.88Å; I697-L714 HydrophobicContact CD1-CG 4.26Å; I697-L714 PolarHBondContact N-O 2.87Å; I697-L714 PolarHBondContact O-N 3.33Å; L714-L716 HydrophobicContact CD1-CD1 4.21Å; L714-L716 HydrophobicContact CD1-CD2 3.55Å; L714-L716 HydrophobicContact CD1-CG 3.58Å; L714-F743 HydrophobicContact CD1-CB 4.24Å; L714-F743 HydrophobicContact CD1-CD1 4.38Å; L714-F743 HydrophobicContact CD1-CG 4.27Å; L714-F743 HydrophobicContact CD2-CB 3.51Å; L714-F743 HydrophobicContact CD2-CG 4.29Å; L714-F743 HydrophobicContact CG-CB 4.48Å; L714-L745 HydrophobicContact CD2-CD2 3.95Å
715	T	93.1	Very high	87.2	Confident	26 Å²	26	44.5 Å²	44.5	16%	0.16	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.2	171.3	42.8	0	0	0	0	111.3	L565 Y566 T694 L695 E696	L565-T715 HydrophobicContact CD2-CG2 3.82Å; Y566-T715 HydrophobicContact CD2-CG2 3.87Å; Y566-T715 HydrophobicContact CE2-CG2 3.82Å; T694-T715 HydrophobicContact CG2-CG2 3.78Å; L695-T715 CarbonylContact O-C 3.59Å; L695-T715 WeakPolarHBondContact O-CA 3.15Å; E696-T715 HydrophobicContact CB-CG2 4.22Å; E696-T715 HydrophobicContact CG-CG2 4.47Å
716	L	93.3	Very high	87.7	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.1	171.2	-55.6	178.4	0	0	0	108	L616 L618 T694 L695 I697 L714 R724 W728 F743	L616-L716 HydrophobicContact CD1-CD1 4.3Å; L618-L716 HydrophobicContact CD1-CD1 3.5Å; T694-L716 CarbonylContact C-O 3.49Å; T694-L716 VanDerWaalsContact CA-O 3.31Å; T694-L716 WeakPolarHBondContact CA-O 3.13Å; L695-L716 HydrophobicContact CB-CB 4.46Å; L695-L716 PolarHBondContact N-O 2.87Å; L695-L716 PolarHBondContact O-N 2.89Å; I697-L716 HydrophobicContact CD1-CD1 4.07Å; I697-L716 HydrophobicContact CD1-CG 4.08Å; L714-L716 HydrophobicContact CD1-CD1 4.21Å; L714-L716 HydrophobicContact CD1-CD2 3.55Å; L714-L716 HydrophobicContact CD1-CG 3.58Å; L716-R724 HydrophobicContact CD2-CB 3.9Å; L716-R724 HydrophobicContact CD2-CG 3.91Å; L716-W728 HydrophobicContact CB-CD2 4.49Å; L716-W728 HydrophobicContact CB-CE3 3.68Å; L716-W728 HydrophobicContact CB-CZ3 4.16Å; L716-F743 HydrophobicContact CD1-CE1 4.4Å; L716-F743 HydrophobicContact CD1-CE2 4.44Å; L716-F743 HydrophobicContact CD1-CZ 4.11Å; L716-F743 HydrophobicContact CD2-CD1 3.91Å; L716-F743 HydrophobicContact CD2-CE1 3.55Å; L716-F743 HydrophobicContact CD2-CZ 4.08Å
717	G	91.8	Very high	88.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	172.8	-175.5	0	0	0	0	0	110.6	G719 A720 W728	G717-G719 PolarHBondContact O-N 3.39Å; G717-A720 VanDerWaalsContact O-CB 3.26Å; G717-A720 WeakPolarHBondContact O-CB 3.46Å; G717-A720 PolarHBondContact O-N 3.08Å; G717-W728 VanDerWaalsContact C-CD1 3.44Å
718	A	84.9	Confident	88.5	Confident	21 Å²	21	36.9 Å²	36.9	17%	0.174	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.2	177.5	0	0	0	0	0	113.3	G691 R725 L729	G691-A718 WeakPolarHBondContact O-CB 3.29Å; A718-R725 VanDerWaalsContact O-CD 3.24Å; A718-R725 WeakPolarHBondContact O-CD 3.48Å; A718-R725 PolarHBondContact O-NE 3.35Å; A718-L729 HydrophobicContact CB-CD2 4.41Å
719	G	81.6	Confident	88.4	Confident	54 Å²	54	36.7 Å²	36.7	56%	0.557	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.7	172	0	0	0	0	0	114.6	G717	G717-G719 PolarHBondContact O-N 3.39Å
720	A	80.8	Confident	88.4	Confident	14 Å²	14	34.5 Å²	34.5	12%	0.116	19%	0.192	C	C	.	.	S	Bend	trans	-68.5	162.5	172.3	0	0	0	0	0	110.5	G717 R724 R725	G717-A720 VanDerWaalsContact O-CB 3.26Å; G717-A720 WeakPolarHBondContact O-CB 3.46Å; G717-A720 PolarHBondContact O-N 3.08Å; A720-R724 HydrophobicContact CB-CB 3.75Å; A720-R725 HydrophobicContact CB-CB 4.41Å; A720-R725 WeakPolarHBondContact O-CB 3.34Å
721	K	74.3	Confident	88.4	Confident	47 Å²	47	32.9 Å²	32.9	20%	0.204	19%	0.185	C	C	.	.			trans	-97.2	149.8	-178.1	-65.6	169.1	-178.3	164.2	0	111.7	M500 D501 D562 D564 D569 E723 R724	M500-K721 VanDerWaalsContact O-CE 3.27Å; M500-K721 WeakPolarHBondContact O-CE 3.48Å; D501-K721 WeakPolarHBondContact OD1-CE 3.49Å; D501-K721 IonicContact OD1-NZ 3.7Å; D501-K721 PolarHBondContact OD1-NZ 3.24Å; D501-K721 VanDerWaalsContact OD1-NZ 3.12Å; D562-K721 IonicContact OD2-NZ 3.92Å; D562-K721 PolarHBondContact OD2-NZ 3.46Å; D564-K721 IonicContact OD1-NZ 3.14Å; D564-K721 PolarHBondContact OD1-NZ 3.46Å; D564-K721 IonicContact OD2-NZ 3.48Å; D564-K721 PolarHBondContact OD2-NZ 2.96Å; D569-K721 WeakPolarHBondContact OD2-CD 3.33Å; D569-K721 VanDerWaalsContact OD2-CE 3.26Å; D569-K721 WeakPolarHBondContact OD2-CE 3.25Å; D569-K721 IonicContact OD2-NZ 2.64Å; D569-K721 PolarHBondContact OD2-NZ 3.29Å; K721-E723 PolarHBondContact O-N 3.45Å; K721-R724 PolarHBondContact O-N 3.4Å
722	A	74.7	Confident	88.4	Confident	78 Å²	78	33.7 Å²	33.7	65%	0.645	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	-128	174.8	0	0	0	0	0	114.4	R724 R725 E726	A722-R724 PolarHBondContact O-N 3.09Å; A722-R724 VanDerWaalsContact O-N 3.12Å; A722-R725 PolarHBondContact O-N 2.93Å; A722-E726 PolarHBondContact O-N 2.94Å
723	E	79.8	Confident	88.3	Confident	96 Å²	96	40.1 Å²	40.1	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-53.5	-34.8	-175	-174.3	178.8	-169.3	0	0	112.8	W227 K721 R725 E726 L727	W227-E723 WeakPolarHBondContact CZ2-OE1 3.19Å; K721-E723 PolarHBondContact O-N 3.45Å; E723-R725 PolarHBondContact O-N 3.42Å; E723-E726 PolarHBondContact O-N 3.33Å; E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 PolarHBondContact O-N 3.5Å
724	R	87.8	Confident	88.1	Confident	53 Å²	53	44.9 Å²	44.9	20%	0.2	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-39.2	-179.4	-67.4	-179.5	-179.3	165.6	-2.5	112	L716 A720 K721 A722 W728 F743 Q744	L716-R724 HydrophobicContact CD2-CB 3.9Å; L716-R724 HydrophobicContact CD2-CG 3.91Å; A720-R724 HydrophobicContact CB-CB 3.75Å; K721-R724 PolarHBondContact O-N 3.4Å; A722-R724 PolarHBondContact O-N 3.09Å; A722-R724 VanDerWaalsContact O-N 3.12Å; R724-W728 VanDerWaalsContact O-CB 3.28Å; R724-W728 WeakPolarHBondContact O-CB 3.49Å; R724-W728 PolarHBondContact O-N 3.24Å; R724-F743 HydrophobicContact CG-CD1 4.21Å; R724-F743 HydrophobicContact CG-CE1 4.29Å; R724-Q744 PolarHBondContact NH2-O 3.49Å
725	R	88	Confident	88	Confident	133 Å²	133	49.3 Å²	49.3	50%	0.502	27%	0.272	S	S	.	.	H	α-helix	trans	-73.6	-44	177.2	165.1	-177.5	-177.4	-164.9	0.3	111.8	A718 A720 A722 E723 L727 W728 L729	A718-R725 VanDerWaalsContact O-CD 3.24Å; A718-R725 WeakPolarHBondContact O-CD 3.48Å; A718-R725 PolarHBondContact O-NE 3.35Å; A720-R725 HydrophobicContact CB-CB 4.41Å; A720-R725 WeakPolarHBondContact O-CB 3.34Å; A722-R725 PolarHBondContact O-N 2.93Å; E723-R725 PolarHBondContact O-N 3.42Å; R725-L727 VanDerWaalsContact C-N 3.32Å; R725-L727 PolarHBondContact O-N 3.02Å; R725-W728 PolarHBondContact O-N 2.94Å; R725-L729 HydrophobicContact CG-CD1 3.96Å; R725-L729 HydrophobicContact CG-CG 4.43Å; R725-L729 WeakPolarHBondContact O-CG 3.29Å; R725-L729 PolarHBondContact O-N 3.18Å
726	E	87.4	Confident	87.9	Confident	100 Å²	100	51 Å²	51	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-44.8	178.9	-69.6	-179.9	178.5	0	0	111.2	F228 A722 E723 L729 A730	F228-E726 HydrophobicContact CZ-CB 4.36Å; A722-E726 PolarHBondContact O-N 2.94Å; E723-E726 PolarHBondContact O-N 3.33Å; E726-L729 PolarHBondContact O-N 3.44Å; E726-A730 VanDerWaalsContact O-CB 3.24Å; E726-A730 WeakPolarHBondContact O-CB 3.29Å; E726-A730 PolarHBondContact O-N 2.68Å
727	L	91.6	Very high	87.7	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-48.5	174.7	-173.2	152.2	0	0	0	111.2	L618 E723 R725 L729 A730 V731 I739 A741 F743	L618-L727 HydrophobicContact CD1-CD2 3.44Å; L618-L727 VanDerWaalsContact CD1-CD2 3.44Å; L618-L727 HydrophobicContact CG-CD2 4.5Å; E723-L727 WeakPolarHBondContact O-CB 3.38Å; E723-L727 PolarHBondContact O-N 3.5Å; R725-L727 VanDerWaalsContact C-N 3.32Å; R725-L727 PolarHBondContact O-N 3.02Å; L727-L729 VanDerWaalsContact C-N 3.34Å; L727-L729 PolarHBondContact O-N 3.45Å; L727-A730 PolarHBondContact O-N 3.35Å; L727-V731 HydrophobicContact CD2-CG2 4.36Å; L727-V731 WeakPolarHBondContact O-CG2 3.47Å; L727-V731 PolarHBondContact O-N 2.82Å; L727-V731 VanDerWaalsContact O-N 3.13Å; L727-I739 HydrophobicContact CD1-CG2 3.69Å; L727-I739 HydrophobicContact CD2-CG2 4.47Å; L727-I739 HydrophobicContact CG-CB 4.46Å; L727-I739 HydrophobicContact CG-CD1 4.39Å; L727-I739 HydrophobicContact CG-CG2 3.83Å; L727-A741 HydrophobicContact CD1-CB 3.54Å; L727-F743 HydrophobicContact CD1-CE1 4.2Å; L727-F743 HydrophobicContact CD1-CZ 3.7Å; L727-F743 HydrophobicContact CD2-CZ 4.03Å; L727-F743 HydrophobicContact CG-CZ 4.49Å
728	W	93.5	Very high	87.9	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-54.8	-50.1	177.3	179.1	-99.8	0	0	0	111.6	L627 L654 L685 A690 R693 L695 L716 G717 R724 R725 A730 V731 F732	L627-W728 HydrophobicContact CD2-CH2 3.73Å; L627-W728 HydrophobicContact CD2-CZ3 3.99Å; L654-W728 HydrophobicContact CD1-CH2 4.31Å; L685-W728 HydrophobicContact CD2-CH2 4.49Å; L685-W728 HydrophobicContact CD2-CZ2 4.38Å; A690-W728 PolarHBondContact O-NE1 2.95Å; R693-W728 HydrophobicContact CB-CZ2 4.35Å; L695-W728 HydrophobicContact CB-CH2 3.77Å; L695-W728 HydrophobicContact CB-CZ3 3.52Å; L695-W728 HydrophobicContact CD2-CZ3 4.25Å; L716-W728 HydrophobicContact CB-CD2 4.49Å; L716-W728 HydrophobicContact CB-CE3 3.68Å; L716-W728 HydrophobicContact CB-CZ3 4.16Å; G717-W728 VanDerWaalsContact C-CD1 3.44Å; R724-W728 VanDerWaalsContact O-CB 3.28Å; R724-W728 WeakPolarHBondContact O-CB 3.49Å; R724-W728 PolarHBondContact O-N 3.24Å; R725-W728 PolarHBondContact O-N 2.94Å; W728-A730 VanDerWaalsContact C-N 3.35Å; W728-A730 PolarHBondContact O-N 2.86Å; W728-V731 PolarHBondContact O-N 2.92Å; W728-F732 HydrophobicContact CD2-CE2 4.08Å; W728-F732 AromaticContact CE2-CE2 3.74Å; W728-F732 HydrophobicContact CE3-CE2 4.5Å; W728-F732 HydrophobicContact CH2-CE2 4.35Å; W728-F732 HydrophobicContact CH2-CZ 4.39Å; W728-F732 AromaticContact CZ2-CE2 3.9Å; W728-F732 HydrophobicContact CZ2-CE2 3.9Å; W728-F732 HydrophobicContact CZ2-CZ 4.13Å; W728-F732 WeakPolarHBondContact O-CD2 3.05Å
729	L	92.2	Very high	88.3	Confident	45 Å²	45	64.8 Å²	64.8	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-35.8	179.6	-66.9	174.6	0	0	0	112.5	A718 R725 E726 L727 V731 F732 R733	A718-L729 HydrophobicContact CB-CD2 4.41Å; R725-L729 HydrophobicContact CG-CD1 3.96Å; R725-L729 HydrophobicContact CG-CG 4.43Å; R725-L729 WeakPolarHBondContact O-CG 3.29Å; R725-L729 PolarHBondContact O-N 3.18Å; E726-L729 PolarHBondContact O-N 3.44Å; L727-L729 VanDerWaalsContact C-N 3.34Å; L727-L729 PolarHBondContact O-N 3.45Å; L729-V731 VanDerWaalsContact C-N 3.31Å; L729-V731 PolarHBondContact O-N 3.36Å; L729-F732 PolarHBondContact O-N 3.46Å; L729-R733 WeakPolarHBondContact O-CG 3.17Å
730	A	92.4	Very high	89	Confident	18 Å²	18	65.7 Å²	65.7	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-67	-30.2	179.9	0	0	0	0	0	113.4	F228 E726 L727 W728 F732 R733 I739	F228-A730 HydrophobicContact CE2-CB 4.44Å; F228-A730 HydrophobicContact CZ-CB 3.73Å; E726-A730 VanDerWaalsContact O-CB 3.24Å; E726-A730 WeakPolarHBondContact O-CB 3.29Å; E726-A730 PolarHBondContact O-N 2.68Å; L727-A730 PolarHBondContact O-N 3.35Å; W728-A730 VanDerWaalsContact C-N 3.35Å; W728-A730 PolarHBondContact O-N 2.86Å; A730-F732 PolarHBondContact O-N 3.24Å; A730-R733 PolarHBondContact O-N 2.64Å; A730-R733 VanDerWaalsContact O-N 3.17Å; A730-I739 HydrophobicContact CB-CD1 3.66Å
731	V	94.3	Very high	89.7	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-35.7	173.9	169	0	0	0	0	111.7	L618 Y620 L627 L727 W728 L729 I739	L618-V731 HydrophobicContact CB-CG2 3.64Å; L618-V731 HydrophobicContact CD1-CG2 4.39Å; Y620-V731 WeakPolarHBondContact CB-O 3.48Å; L627-V731 HydrophobicContact CD1-CG1 3.95Å; L727-V731 HydrophobicContact CD2-CG2 4.36Å; L727-V731 WeakPolarHBondContact O-CG2 3.47Å; L727-V731 PolarHBondContact O-N 2.82Å; L727-V731 VanDerWaalsContact O-N 3.13Å; W728-V731 PolarHBondContact O-N 2.92Å; L729-V731 VanDerWaalsContact C-N 3.31Å; L729-V731 PolarHBondContact O-N 3.36Å; V731-I739 HydrophobicContact CG2-CD1 4.03Å; V731-I739 HydrophobicContact CG2-CG1 4.37Å
732	F	94	Very high	90.6	Very high	18 Å²	18	67.2 Å²	67.2	8%	0.079	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14.9	-178.6	-57.6	-85.7	0	0	0	113.5	Y620 L627 L685 A687 A690 W728 L729 A730 Y736	Y620-F732 HydrophobicContact CD1-CD1 4.32Å; Y620-F732 AromaticContact CD2-CD1 3.66Å; Y620-F732 HydrophobicContact CD2-CD1 3.66Å; Y620-F732 AromaticContact CD2-CE1 3.58Å; Y620-F732 HydrophobicContact CD2-CE1 3.58Å; Y620-F732 HydrophobicContact CE2-CD1 4.07Å; Y620-F732 HydrophobicContact CE2-CE1 4.02Å; Y620-F732 AromaticContact CG-CD1 3.8Å; Y620-F732 HydrophobicContact CG-CD1 3.8Å; Y620-F732 HydrophobicContact CG-CE1 4.15Å; L627-F732 HydrophobicContact CB-CZ 4.4Å; L627-F732 HydrophobicContact CD1-CZ 3.98Å; L627-F732 HydrophobicContact CD2-CZ 4.41Å; L627-F732 HydrophobicContact CG-CZ 4.5Å; L685-F732 HydrophobicContact CD2-CE1 3.77Å; L685-F732 HydrophobicContact CD2-CZ 3.51Å; L685-F732 HydrophobicContact CG-CE1 4.14Å; L685-F732 HydrophobicContact CG-CZ 4.36Å; A687-F732 HydrophobicContact CB-CB 4.38Å; A687-F732 HydrophobicContact CB-CD1 4.24Å; A690-F732 HydrophobicContact CB-CB 4.18Å; A690-F732 HydrophobicContact CB-CD1 3.96Å; A690-F732 HydrophobicContact CB-CD2 3.42Å; A690-F732 VanDerWaalsContact CB-CD2 3.42Å; A690-F732 HydrophobicContact CB-CE1 4.15Å; A690-F732 HydrophobicContact CB-CE2 3.68Å; A690-F732 HydrophobicContact CB-CG 3.58Å; A690-F732 HydrophobicContact CB-CZ 4.03Å; W728-F732 HydrophobicContact CD2-CE2 4.08Å; W728-F732 AromaticContact CE2-CE2 3.74Å; W728-F732 HydrophobicContact CE3-CE2 4.5Å; W728-F732 HydrophobicContact CH2-CE2 4.35Å; W728-F732 HydrophobicContact CH2-CZ 4.39Å; W728-F732 AromaticContact CZ2-CE2 3.9Å; W728-F732 HydrophobicContact CZ2-CE2 3.9Å; W728-F732 HydrophobicContact CZ2-CZ 4.13Å; W728-F732 WeakPolarHBondContact O-CD2 3.05Å; L729-F732 PolarHBondContact O-N 3.46Å; A730-F732 PolarHBondContact O-N 3.24Å; F732-Y736 WeakPolarHBondContact O-CE1 3.41Å
733	R	91.7	Very high	91.4	Very high	135 Å²	135	64 Å²	64	51%	0.509	29%	0.291	S	S	.	.	S	Bend	trans	-104.2	136.9	172.9	-71.2	179	-163.3	147.7	1.8	110.3	L729 A730 Y736	L729-R733 WeakPolarHBondContact O-CG 3.17Å; A730-R733 PolarHBondContact O-N 2.64Å; A730-R733 VanDerWaalsContact O-N 3.17Å; R733-Y736 WeakPolarHBondContact O-CA 3.42Å; R733-Y736 PolarHBondContact O-N 3.3Å
734	P	89.8	Confident	91.9	Very high	100 Å²	100	62.6 Å²	62.6	65%	0.649	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	137.2	169.1	-27	35	0	0	0	110.9	Y736	P734-Y736 HydrophobicContact CG-CE1 4.25Å; P734-Y736 HydrophobicContact CG-CE2 4.14Å
735	P	91.6	Very high	92.1	Very high	92 Å²	92	60.1 Å²	60.1	60%	0.597	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94	32.3	12.4	36.7	-33.3	0	0	0	114.1	R737	P735-R737 VanDerWaalsContact C-N 3.35Å; P735-R737 HydrophobicContact CG-CG 3.77Å; P735-R737 PolarHBondContact O-N 3.06Å
736	Y	90.6	Very high	92.2	Very high	61 Å²	61	53.8 Å²	53.8	24%	0.239	25%	0.252	C	S	.	.			trans	55.4	45.4	175.9	-52.4	-59.8	0	0	0	113.7	Y620 E622 F732 R733 P734	Y620-Y736 AromaticContact CD1-CD1 3.57Å; Y620-Y736 HydrophobicContact CD1-CD1 3.57Å; Y620-Y736 AromaticContact CD1-CE1 3.64Å; Y620-Y736 HydrophobicContact CD1-CE1 3.64Å; Y620-Y736 HydrophobicContact CD1-CG 4.06Å; Y620-Y736 HydrophobicContact CE1-CD1 4.47Å; Y620-Y736 HydrophobicContact CE1-CE1 4.13Å; Y620-Y736 HydrophobicContact CG-CD1 4.37Å; Y620-Y736 WeakPolarHBondContact O-CB 3.48Å; E622-Y736 HydrophobicContact CB-CD2 3.92Å; E622-Y736 HydrophobicContact CB-CE2 3.64Å; E622-Y736 HydrophobicContact CG-CE2 3.9Å; E622-Y736 WeakPolarHBondContact OE2-CE2 3.11Å; E622-Y736 PolarHBondContact OE2-OH 2.85Å; F732-Y736 WeakPolarHBondContact O-CE1 3.41Å; R733-Y736 WeakPolarHBondContact O-CA 3.42Å; R733-Y736 PolarHBondContact O-N 3.3Å; P734-Y736 HydrophobicContact CG-CE1 4.25Å; P734-Y736 HydrophobicContact CG-CE2 4.14Å
737	R	89.6	Confident	92.2	Very high	177 Å²	177	52.6 Å²	52.6	67%	0.668	25%	0.248	S	C	*	.			trans	-65.2	143.9	-177.7	-60.4	-173.8	177.5	168.5	0.8	110.5	P735 I739	P735-R737 VanDerWaalsContact C-N 3.35Å; P735-R737 HydrophobicContact CG-CG 3.77Å; P735-R737 PolarHBondContact O-N 3.06Å; R737-I739 PolarHBondContact O-N 3.49Å
738	R	94.5	Very high	92	Very high	97 Å²	97	56.5 Å²	56.5	37%	0.366	26%	0.263	S	S	.	.			trans	-64.7	124.3	164.5	-173.3	175.2	164.6	-84.2	4.2	109	L618 Y628 E630 E740	L618-R738 CarbonylContact O-C 3.55Å; L618-R738 VanDerWaalsContact O-CA 3.31Å; L618-R738 WeakPolarHBondContact O-CA 3.32Å; Y628-R738 HydrophobicContact CE2-CG 4.43Å; Y628-R738 WeakPolarHBondContact OH-CB 3.14Å; Y628-R738 VanDerWaalsContact OH-CD 3.28Å; Y628-R738 WeakPolarHBondContact OH-CD 3.46Å; Y628-R738 WeakPolarHBondContact OH-CG 3.37Å; E630-R738 IonicContact OE1-NH2 3.44Å; E630-R738 IonicContact OE2-CZ 2.63Å; E630-R738 VanDerWaalsContact OE2-CZ 3.26Å; E630-R738 IonicContact OE2-NE 2.94Å; E630-R738 PolarHBondContact OE2-NE 2.78Å; E630-R738 VanDerWaalsContact OE2-NE 3.09Å; E630-R738 IonicContact OE2-NH2 3.32Å; E630-R738 PolarHBondContact OE2-NH2 3.47Å; R738-E740 IonicContact CZ-OE2 3.26Å; R738-E740 IonicContact NH1-OE2 3.16Å; R738-E740 PolarHBondContact NH1-OE2 3.27Å; R738-E740 IonicContact NH2-OE2 2.67Å; R738-E740 PolarHBondContact NH2-OE2 2.56Å
739	I	94.4	Very high	91.4	Very high	38 Å²	38	57.5 Å²	57.5	20%	0.195	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.8	173.5	-53.4	-179.7	0	0	0	108.3	G617 L618 L727 A730 V731 R737	G617-I739 CarbonylContact C-O 3.6Å; G617-I739 WeakPolarHBondContact CA-O 3.42Å; L618-I739 PolarHBondContact N-O 3.44Å; L618-I739 PolarHBondContact O-N 3.19Å; L727-I739 HydrophobicContact CD1-CG2 3.69Å; L727-I739 HydrophobicContact CD2-CG2 4.47Å; L727-I739 HydrophobicContact CG-CB 4.46Å; L727-I739 HydrophobicContact CG-CD1 4.39Å; L727-I739 HydrophobicContact CG-CG2 3.83Å; A730-I739 HydrophobicContact CB-CD1 3.66Å; V731-I739 HydrophobicContact CG2-CD1 4.03Å; V731-I739 HydrophobicContact CG2-CG1 4.37Å; R737-I739 PolarHBondContact O-N 3.49Å
740	E	95.9	Very high	89.9	Confident	72 Å²	72	64.2 Å²	64.2	34%	0.336	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.6	176.6	-177.4	178.3	137.7	0	0	109.3	Q615 L616 I632 R738	Q615-E740 HydrophobicContact CG-CG 4.37Å; Q615-E740 PolarHBondContact NE2-OE1 2.8Å; L616-E740 WeakPolarHBondContact O-CA 3.34Å; I632-E740 HydrophobicContact CD1-CG 3.68Å; R738-E740 IonicContact CZ-OE2 3.26Å; R738-E740 IonicContact NH1-OE2 3.16Å; R738-E740 PolarHBondContact NH1-OE2 3.27Å; R738-E740 IonicContact NH2-OE2 2.67Å; R738-E740 PolarHBondContact NH2-OE2 2.56Å
741	A	94.7	Very high	87.9	Confident	11 Å²	11	68.5 Å²	68.5	9%	0.091	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158	-174.9	0	0	0	0	0	112.5	Q615 L616 L727 F743	Q615-A741 WeakPolarHBondContact CA-O 3.44Å; L616-A741 PolarHBondContact N-O 3.02Å; L616-A741 PolarHBondContact O-N 2.88Å; L727-A741 HydrophobicContact CD1-CB 3.54Å; A741-F743 HydrophobicContact CB-CE2 3.81Å; A741-F743 HydrophobicContact CB-CZ 3.8Å
742	W	94.2	Very high	85.4	Confident	83 Å²	83	69.4 Å²	69.4	31%	0.314	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.9	169.9	-78.8	100.8	0	0	0	110.2	K613 I614 Q615 R633 A635	K613-W742 HydrophobicContact CB-CE3 3.95Å; K613-W742 HydrophobicContact CB-CZ3 4.29Å; K613-W742 HydrophobicContact CD-CD2 4.17Å; K613-W742 HydrophobicContact CD-CE3 3.73Å; K613-W742 HydrophobicContact CD-CZ3 4.03Å; K613-W742 HydrophobicContact CG-CE3 3.64Å; K613-W742 HydrophobicContact CG-CZ3 3.66Å; I614-W742 VanDerWaalsContact C-CE3 3.4Å; I614-W742 CarbonylContact O-C 3.5Å; I614-W742 WeakPolarHBondContact O-CA 3.4Å; Q615-W742 HydrophobicContact CB-CD2 3.8Å; Q615-W742 HydrophobicContact CB-CE3 3.73Å; Q615-W742 HydrophobicContact CB-CH2 4.02Å; Q615-W742 HydrophobicContact CB-CZ2 4.11Å; Q615-W742 HydrophobicContact CB-CZ3 3.8Å; Q615-W742 HydrophobicContact CG-CD2 4.03Å; Q615-W742 HydrophobicContact CG-CE3 4.46Å; Q615-W742 HydrophobicContact CG-CG 4.34Å; Q615-W742 HydrophobicContact CG-CZ2 4.48Å; R633-W742 HydrophobicContact CG-CH2 4.04Å; R633-W742 VanDerWaalsContact NH2-CZ2 3.28Å; A635-W742 HydrophobicContact CB-CH2 3.79Å; A635-W742 HydrophobicContact CB-CZ3 4.08Å
743	F	91.9	Very high	82.7	Confident	10 Å²	10	74.7 Å²	74.7	4%	0.044	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.2	176.2	-58.2	-85.6	0	0	0	110.1	K613 I614 L616 L714 L716 R724 L727 A741	K613-F743 CarbonylContact C-O 3.54Å; K613-F743 VanDerWaalsContact CA-O 3.23Å; K613-F743 WeakPolarHBondContact CA-O 3.31Å; K613-F743 WeakPolarHBondContact CB-O 3.27Å; I614-F743 HydrophobicContact CG2-CB 4.09Å; I614-F743 PolarHBondContact N-O 2.82Å; I614-F743 PolarHBondContact O-N 2.88Å; L616-F743 HydrophobicContact CB-CD2 4.22Å; L616-F743 HydrophobicContact CB-CE2 3.97Å; L616-F743 HydrophobicContact CD1-CD2 3.91Å; L616-F743 HydrophobicContact CD1-CE2 4.11Å; L616-F743 HydrophobicContact CG-CD2 4.13Å; L616-F743 HydrophobicContact CG-CE2 4.34Å; L714-F743 HydrophobicContact CD1-CB 4.24Å; L714-F743 HydrophobicContact CD1-CD1 4.38Å; L714-F743 HydrophobicContact CD1-CG 4.27Å; L714-F743 HydrophobicContact CD2-CB 3.51Å; L714-F743 HydrophobicContact CD2-CG 4.29Å; L714-F743 HydrophobicContact CG-CB 4.48Å; L716-F743 HydrophobicContact CD1-CE1 4.4Å; L716-F743 HydrophobicContact CD1-CE2 4.44Å; L716-F743 HydrophobicContact CD1-CZ 4.11Å; L716-F743 HydrophobicContact CD2-CD1 3.91Å; L716-F743 HydrophobicContact CD2-CE1 3.55Å; L716-F743 HydrophobicContact CD2-CZ 4.08Å; R724-F743 HydrophobicContact CG-CD1 4.21Å; R724-F743 HydrophobicContact CG-CE1 4.29Å; L727-F743 HydrophobicContact CD1-CE1 4.2Å; L727-F743 HydrophobicContact CD1-CZ 3.7Å; L727-F743 HydrophobicContact CD2-CZ 4.03Å; L727-F743 HydrophobicContact CG-CZ 4.49Å; A741-F743 HydrophobicContact CB-CE2 3.81Å; A741-F743 HydrophobicContact CB-CZ 3.8Å
744	Q	90.5	Very high	79.8	Confident	67 Å²	67	76.8 Å²	76.8	31%	0.313	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.5	173.1	-169.8	57.2	43.6	0	0	110	C608 T610 G612 R724	C608-Q744 VanDerWaalsContact SG-CG 3.56Å; T610-Q744 VanDerWaalsContact CA-NE2 3.25Å; T610-Q744 PolarHBondContact OG1-NE2 2.87Å; G612-Q744 PolarHBondContact O-NE2 2.85Å; R724-Q744 PolarHBondContact NH2-O 3.49Å
745	L	92.3	Very high	77	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	38%	0.38	C	S	.	.			trans	-90.5	136.6	173.4	-62.5	168.1	0	0	0	109.9	R611 G612 I614 L637 V699 L714	R611-L745 PolarHBondContact N-O 3.18Å; G612-L745 VanDerWaalsContact O-CB 3.28Å; G612-L745 WeakPolarHBondContact O-CB 3.2Å; G612-L745 PolarHBondContact O-N 3.4Å; I614-L745 HydrophobicContact CB-CD1 4.5Å; I614-L745 HydrophobicContact CB-CD2 4.3Å; I614-L745 HydrophobicContact CB-CG 4.46Å; I614-L745 HydrophobicContact CG2-CD2 3.8Å; I614-L745 HydrophobicContact CG2-CG 4.26Å; L637-L745 HydrophobicContact CD2-CD1 3.52Å; V699-L745 HydrophobicContact CB-CD1 4.23Å; V699-L745 HydrophobicContact CG2-CD1 3.68Å; V699-L745 HydrophobicContact CG2-CD2 3.79Å; V699-L745 HydrophobicContact CG2-CG 4.42Å; L714-L745 HydrophobicContact CD2-CD2 3.95Å
746	S	90.1	Very high	73.9	Confident	1 Å²	1	82 Å²	82	1%	0.007	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-123.7	161.2	-179.6	-47.4	0	0	0	0	110.8	G567 C608 G712 G713	G567-S746 VanDerWaalsContact N-CB 3.31Å; C608-S746 PolarHBondContact SG-OG 3.13Å; G712-S746 CarbonylContact C-O 3.53Å; G712-S746 VanDerWaalsContact CA-O 3.23Å; G712-S746 WeakPolarHBondContact CA-O 3.36Å; G713-S746 PolarHBondContact N-O 3.05Å; G713-S746 PolarHBondContact O-N 3.33Å; G713-S746 VanDerWaalsContact O-N 3.12Å
747	N	87.6	Confident	71	Confident	74 Å²	74	85.2 Å²	85.2	40%	0.396	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-65.6	155	170.2	-157.6	12.4	0	0	0	110.8	F710	F710-N747 WeakPolarHBondContact CD1-OD1 3.18Å; F710-N747 WeakPolarHBondContact CE1-OD1 3.49Å
748	R	86.8	Confident	68.1	Low	87 Å²	87	81.9 Å²	81.9	33%	0.328	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-84	133.6	172.4	-170.4	175	177.7	-172.1	-0.2	109.3	L565 Y566 F710	L565-R748 HydrophobicContact CD1-CG 4.43Å; Y566-R748 HydrophobicContact CD1-CB 4.24Å; Y566-R748 HydrophobicContact CE1-CB 3.76Å; Y566-R748 HydrophobicContact CE1-CG 3.86Å; F710-R748 HydrophobicContact CD1-CB 4.48Å; F710-R748 HydrophobicContact CE1-CB 3.83Å; F710-R748 VanDerWaalsContact CE1-N 3.35Å; F710-R748 HydrophobicContact CZ-CB 3.84Å
749	T	80.4	Confident	65	Low	22 Å²	22	80.2 Å²	80.2	14%	0.135	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-82.8	138.5	174.4	55.3	0	0	0	0	110.3	E563 D564 L565 N751 G752	E563-T749 HydrophobicContact CG-CG2 3.63Å; D564-T749 WeakPolarHBondContact O-CB 3.23Å; D564-T749 WeakPolarHBondContact O-CG2 3.45Å; D564-T749 PolarHBondContact O-OG1 2.75Å; L565-T749 WeakPolarHBondContact CA-OG1 3.24Å; L565-T749 PolarHBondContact O-N 3Å; L565-T749 VanDerWaalsContact O-N 3.16Å; L565-T749 PolarHBondContact O-OG1 2.7Å; T749-N751 PolarHBondContact O-N 3.25Å; T749-G752 PolarHBondContact O-N 3.46Å
750	E	61.3	Low	61.9	Low	185 Å²	185	84.4 Å²	84.4	86%	0.864	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.2	-172.6	-65	-177.1	174.7	0	0	112.8
751	N	50.6	Low	58.9	Low	108 Å²	108	84.9 Å²	84.9	58%	0.578	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.4	-174.7	-63.9	-30.6	0	0	0	114.5	E563 T749 I753 Q754	E563-N751 PolarHBondContact OE2-ND2 3.49Å; T749-N751 PolarHBondContact O-N 3.25Å; N751-I753 PolarHBondContact O-N 2.76Å; N751-Q754 PolarHBondContact O-N 3.21Å
752	G	41.8	Very low	55.8	Low	20 Å²	20	95.4 Å²	95.4	21%	0.206	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	11.1	-172.1	0	0	0	0	0	117.4	T749	T749-G752 PolarHBondContact O-N 3.46Å
753	I	37.3	Very low	53.9	Low	129 Å²	129	96 Å²	96	66%	0.662	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-16	-179.3	-58.4	179.6	0	0	0	112.6	N751 F755	N751-I753 PolarHBondContact O-N 2.76Å; I753-F755 PolarHBondContact O-N 3.41Å
754	Q	30.2	Very low	51.9	Low	178 Å²	178	100.5 Å²	100.5	83%	0.832	55%	0.554	S	S	*	*			trans	-92.5	61.6	178.8	-73.3	-174.7	-1.5	0	0	113.3	N751 T756	N751-Q754 PolarHBondContact O-N 3.21Å; Q754-T756 PolarHBondContact O-N 3.17Å
755	F	30.7	Very low	49.7	Very low	182 Å²	182	102.4 Å²	102.4	80%	0.798	57%	0.568	S	S	*	*			trans	-76.6	64.3	161.6	-79	-82.8	0	0	0	110.7	I753	I753-F755 PolarHBondContact O-N 3.41Å
756	T	26.8	Very low	47.2	Very low	119 Å²	119	108.4 Å²	108.4	73%	0.73	60%	0.601	S	S	*	*	S	Bend	trans	-171.2	87.7	164.9	47.3	0	0	0	0	111.4	Q754	Q754-T756 PolarHBondContact O-N 3.17Å
757	T	28.8	Very low	44.5	Very low	130 Å²	130	115.1 Å²	115.1	80%	0.798	64%	0.638	S	S	*	*			trans	156.1	128.4	134	30.4	0	0	0	0	110.2	G759	T757-G759 PolarHBondContact O-N 3.42Å; T757-G759 VanDerWaalsContact O-N 3.09Å
758	P	29.8	Very low	41.7	Very low	106 Å²	106	117.9 Å²	117.9	69%	0.688	66%	0.655	S	S	*	*			trans	-72.4	102.6	171.9	28.6	-28.6	0	0	0	108.3	V760	P758-V760 PolarHBondContact O-N 3.46Å
759	G	28.4	Very low	38.4	Very low	62 Å²	62	120.1 Å²	120.1	64%	0.639	68%	0.678	S	S	*	*			trans	-76.5	104	162.1	0	0	0	0	0	107.8	T757 C761	T757-G759 PolarHBondContact O-N 3.42Å; T757-G759 VanDerWaalsContact O-N 3.09Å; G759-C761 PolarHBondContact O-N 3.2Å
760	V	30.9	Very low	35.2	Very low	126 Å²	126	127.6 Å²	127.6	76%	0.764	72%	0.72	S	S	*	*			trans	-60.6	118.4	172.1	179.8	0	0	0	0	107.6	P758	P758-V760 PolarHBondContact O-N 3.46Å
761	C	31.4	Very low	33	Very low	83 Å²	83	122.8 Å²	122.8	56%	0.561	71%	0.708	S	S	*	*			trans	-83.6	123.7	163.6	-54.7	0	0	0	0	106.6	G759	G759-C761 PolarHBondContact O-N 3.2Å
762	D	29.6	Very low	31.4	Very low	231 Å²	231	124.2 Å²	124.2	100%	1.235	72%	0.719	S	S	*	*			trans	-63.7	0	172.5	-79.7	-33.1	0	0	0	112.9

Retrieved 762 of 762 residues in 690.2 ms (Link to these results)

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