A0A087Y871_POEFO Loading...

Synaptotagmin-like protein 5

May act as Rab effector protein and play a role in vesicle trafficking. Binds phospholipids.

AlphaFold DB , UniProt , Accession A0A087Y871, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 751 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	41.2	Very low	192 Å²	192	141.8 Å²	141.8	95%	0.946	72%	0.717	S	S	*	*				0	-40	0	-159.2	169.3	-71.2	0	0	109.6	E3 M4	M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.63Å; M1-E3 VanDerWaalsContact O-N 3.15Å; M1-M4 WeakPolarHBondContact O-CB 3.27Å; M1-M4 PolarHBondContact O-N 2.91Å
2	E	33.4	Very low	41.9	Very low	150 Å²	150	139.8 Å²	139.8	70%	0.701	71%	0.709	S	S	*	*	H	α-helix	trans	-49.8	-34.7	176.3	-61.2	129.2	108.7	0	0	115.3	M4 E5 K6	E2-M4 PolarHBondContact O-N 3.47Å; E2-M4 VanDerWaalsContact O-N 3.13Å; E2-E5 PolarHBondContact O-N 2.62Å; E2-K6 PolarHBondContact O-N 2.7Å; E2-K6 VanDerWaalsContact O-N 3.1Å
3	E	43.2	Very low	42.9	Very low	180 Å²	180	135.2 Å²	135.2	84%	0.841	69%	0.687	S	S	*	*	H	α-helix	trans	-60.3	-22.7	175.7	-68.4	-169	128.4	0	0	113.7	M1	M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.63Å; M1-E3 VanDerWaalsContact O-N 3.15Å
4	M	32.3	Very low	43.9	Very low	147 Å²	147	132.7 Å²	132.7	72%	0.724	69%	0.688	S	S	*	*	H	α-helix	trans	-82.7	-24.7	175.5	-162.8	172.7	71.5	0	0	112.6	M1 E2	M1-M4 WeakPolarHBondContact O-CB 3.27Å; M1-M4 PolarHBondContact O-N 2.91Å; E2-M4 PolarHBondContact O-N 3.47Å; E2-M4 VanDerWaalsContact O-N 3.13Å
5	E	36	Very low	45.1	Very low	133 Å²	133	133.9 Å²	133.9	62%	0.621	69%	0.686	S	S	*	*	H	α-helix	trans	-75.8	-41.6	172.9	-70.7	173.3	111.7	0	0	110.7	E2 A7 V8	E2-E5 PolarHBondContact O-N 2.62Å; E5-A7 PolarHBondContact O-N 3.42Å; E5-A7 VanDerWaalsContact O-N 3.11Å; E5-V8 VanDerWaalsContact O-CB 3.29Å; E5-V8 WeakPolarHBondContact O-CB 3.5Å; E5-V8 PolarHBondContact O-N 3.12Å
6	K	40.5	Very low	45.9	Very low	156 Å²	156	127.9 Å²	127.9	68%	0.678	66%	0.656	S	S	*	*	H	α-helix	trans	-62.4	-21.9	179.8	-131.6	173.3	-171.7	173.6	0	114.3	E2 V8	E2-K6 PolarHBondContact O-N 2.7Å; E2-K6 VanDerWaalsContact O-N 3.1Å; K6-V8 VanDerWaalsContact C-N 3.27Å; K6-V8 PolarHBondContact O-N 2.91Å
7	A	42.4	Very low	47.7	Very low	65 Å²	65	126.9 Å²	126.9	54%	0.537	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-3.5	173.8	0	0	0	0	0	114.3	E5	E5-A7 PolarHBondContact O-N 3.42Å; E5-A7 VanDerWaalsContact O-N 3.11Å
8	V	42.9	Very low	49.1	Very low	106 Å²	106	126.7 Å²	126.7	64%	0.642	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-25.9	178.7	-175.7	0	0	0	0	111.8	E5 K6 D10	E5-V8 VanDerWaalsContact O-CB 3.29Å; E5-V8 WeakPolarHBondContact O-CB 3.5Å; E5-V8 PolarHBondContact O-N 3.12Å; K6-V8 VanDerWaalsContact C-N 3.27Å; K6-V8 PolarHBondContact O-N 2.91Å; V8-D10 PolarHBondContact O-N 3.11Å
9	E	44.2	Very low	50.5	Low	148 Å²	148	125.6 Å²	125.6	69%	0.692	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-28.6	-174.5	-58.5	-173.3	116.1	0	0	113.4	L11	E9-L11 VanDerWaalsContact C-N 3.26Å; E9-L11 PolarHBondContact O-N 3.02Å
10	D	48.1	Very low	51.9	Low	156 Å²	156	122.8 Å²	122.8	83%	0.834	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	2.9	-176.6	-107.6	-0.4	0	0	0	115	V8	V8-D10 PolarHBondContact O-N 3.11Å
11	L	49.8	Very low	52.9	Low	127 Å²	127	122.6 Å²	122.6	67%	0.665	62%	0.615	S	S	*	*			trans	-116.8	83.6	168.4	-78	174.3	0	0	0	109.5	E9 L13	E9-L11 VanDerWaalsContact C-N 3.26Å; E9-L11 PolarHBondContact O-N 3.02Å; L11-L13 HydrophobicContact CB-CG 4.33Å; L11-L13 PolarHBondContact O-N 2.93Å
12	N	49.3	Very low	54.6	Low	118 Å²	118	118 Å²	118	63%	0.631	59%	0.591	S	S	*	*			trans	-70.9	78.6	177.2	-169.1	-7.5	0	0	0	111.5	S14 F15	N12-S14 PolarHBondContact O-N 3.15Å; N12-S14 VanDerWaalsContact OD1-CB 3.31Å; N12-S14 WeakPolarHBondContact OD1-CB 3.47Å; N12-S14 PolarHBondContact OD1-N 3.13Å; N12-S14 PolarHBondContact OD1-OG 2.63Å; N12-F15 VanDerWaalsContact O-CD1 3.28Å; N12-F15 WeakPolarHBondContact O-CD1 3.5Å; N12-F15 WeakPolarHBondContact O-CE1 3.34Å
13	L	54.8	Low	56.7	Low	80 Å²	80	115.7 Å²	115.7	42%	0.419	58%	0.581	S	S	.	*			trans	-81.2	13.9	-179.8	-65.1	169.7	0	0	0	113.3	L11 F15 L16	L11-L13 HydrophobicContact CB-CG 4.33Å; L11-L13 PolarHBondContact O-N 2.93Å; L13-F15 HydrophobicContact CD2-CE1 4.17Å; L13-F15 HydrophobicContact CD2-CZ 4.11Å; L13-F15 PolarHBondContact O-N 3.1Å; L13-F15 VanDerWaalsContact O-N 3.07Å; L13-L16 HydrophobicContact CB-CD1 4.46Å; L13-L16 HydrophobicContact CD2-CD1 4.01Å; L13-L16 PolarHBondContact O-N 3.45Å
14	S	57.4	Low	58.4	Low	100 Å²	100	111 Å²	111	70%	0.699	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-11.5	-179.1	61.3	0	0	0	0	114.7	N12	N12-S14 PolarHBondContact O-N 3.15Å; N12-S14 VanDerWaalsContact OD1-CB 3.31Å; N12-S14 WeakPolarHBondContact OD1-CB 3.47Å; N12-S14 PolarHBondContact OD1-N 3.13Å; N12-S14 PolarHBondContact OD1-OG 2.63Å
15	F	61.6	Low	60.5	Low	151 Å²	151	108.1 Å²	108.1	66%	0.662	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15	172.9	67.1	-93.2	0	0	0	114	N12 L13	N12-F15 VanDerWaalsContact O-CD1 3.28Å; N12-F15 WeakPolarHBondContact O-CD1 3.5Å; N12-F15 WeakPolarHBondContact O-CE1 3.34Å; L13-F15 HydrophobicContact CD2-CE1 4.17Å; L13-F15 HydrophobicContact CD2-CZ 4.11Å; L13-F15 PolarHBondContact O-N 3.1Å; L13-F15 VanDerWaalsContact O-N 3.07Å
16	L	57	Low	62.8	Low	38 Å²	38	107.1 Å²	107.1	20%	0.199	54%	0.542	C	S	.	.	S	Bend	trans	-86.3	132.6	176.2	-67.1	177.5	0	0	0	110.3	L13 E20 I24	L13-L16 HydrophobicContact CB-CD1 4.46Å; L13-L16 HydrophobicContact CD2-CD1 4.01Å; L13-L16 PolarHBondContact O-N 3.45Å; L16-E20 HydrophobicContact CD2-CB 4.25Å; L16-I24 HydrophobicContact CD1-CD1 3.84Å
17	L	77.9	Confident	65.1	Low	111 Å²	111	104.3 Å²	104.3	58%	0.581	54%	0.537	S	S	*	.			trans	-68.4	146.2	167.4	-67	163.8	0	0	0	109	H19 E20 R21	L17-H19 WeakPolarHBondContact CB-ND1 3.29Å; L17-H19 PolarHBondContact O-N 3.47Å; L17-E20 HydrophobicContact CB-CG 4.33Å; L17-E20 PolarHBondContact N-OE2 2.82Å; L17-E20 WeakPolarHBondContact O-CA 3.4Å; L17-E20 WeakPolarHBondContact O-CB 3.29Å; L17-E20 PolarHBondContact O-N 3.47Å; L17-R21 PolarHBondContact O-N 3.16Å
18	E	71.6	Confident	66.8	Low	122 Å²	122	105.9 Å²	105.9	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-56.3	-31.2	-171.7	-167.2	60.1	-139.3	0	0	112.9	R21 E22	E18-R21 PolarHBondContact O-N 3.27Å; E18-R21 WeakPolarHBondContact OE1-CD 3.06Å; E18-R21 IonicContact OE1-NH1 3.42Å; E18-R21 PolarHBondContact OE1-NH1 3.09Å; E18-R21 IonicContact OE2-NH1 2.62Å; E18-R21 PolarHBondContact OE2-NH1 3.4Å; E18-R21 VanDerWaalsContact OE2-NH1 3.1Å; E18-E22 WeakPolarHBondContact O-CB 3.31Å; E18-E22 PolarHBondContact O-N 3.46Å
19	H	76.8	Confident	68.9	Low	106 Å²	106	105.5 Å²	105.5	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-66.8	-33.3	174.4	81.6	-74.1	0	0	0	114	L17 M23	L17-H19 WeakPolarHBondContact CB-ND1 3.29Å; L17-H19 PolarHBondContact O-N 3.47Å; H19-M23 WeakPolarHBondContact O-CG 3.13Å; H19-M23 PolarHBondContact O-N 3Å
20	E	77.5	Confident	71	Confident	69 Å²	69	105.4 Å²	105.4	32%	0.322	53%	0.525	S	S	.	.	H	α-helix	trans	-72.2	-43.7	176.2	-58.1	177.4	109	0	0	110.5	L16 L17 E22 M23 I24	L16-E20 HydrophobicContact CD2-CB 4.25Å; L17-E20 HydrophobicContact CB-CG 4.33Å; L17-E20 PolarHBondContact N-OE2 2.82Å; L17-E20 WeakPolarHBondContact O-CA 3.4Å; L17-E20 WeakPolarHBondContact O-CB 3.29Å; L17-E20 PolarHBondContact O-N 3.47Å; E20-E22 VanDerWaalsContact C-N 3.31Å; E20-E22 PolarHBondContact O-N 2.85Å; E20-M23 HydrophobicContact CG-CE 4.36Å; E20-M23 PolarHBondContact O-N 2.93Å; E20-I24 WeakPolarHBondContact O-CG1 3.43Å; E20-I24 PolarHBondContact O-N 2.92Å
21	R	74.3	Confident	72.4	Confident	119 Å²	119	100.9 Å²	100.9	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-56.4	-46.5	172.6	-172	-172.4	-173.8	-165.6	6.7	110.9	L17 E18 I24 L25	L17-R21 PolarHBondContact O-N 3.16Å; E18-R21 PolarHBondContact O-N 3.27Å; E18-R21 WeakPolarHBondContact OE1-CD 3.06Å; E18-R21 IonicContact OE1-NH1 3.42Å; E18-R21 PolarHBondContact OE1-NH1 3.09Å; E18-R21 IonicContact OE2-NH1 2.62Å; E18-R21 PolarHBondContact OE2-NH1 3.4Å; E18-R21 VanDerWaalsContact OE2-NH1 3.1Å; R21-I24 PolarHBondContact O-N 2.89Å; R21-L25 HydrophobicContact CG-CD1 4.28Å; R21-L25 WeakPolarHBondContact O-CB 3.39Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.27Å; R21-L25 PolarHBondContact O-N 2.99Å
22	E	76.1	Confident	74	Confident	95 Å²	95	98.9 Å²	98.9	44%	0.444	49%	0.488	S	S	.	.	H	α-helix	trans	-64.6	-39.7	177.5	-154.6	-148.6	-178.7	0	0	112.2	E18 E20 L25 K26	E18-E22 WeakPolarHBondContact O-CB 3.31Å; E18-E22 PolarHBondContact O-N 3.46Å; E20-E22 VanDerWaalsContact C-N 3.31Å; E20-E22 PolarHBondContact O-N 2.85Å; E22-L25 PolarHBondContact O-N 3.48Å; E22-K26 HydrophobicContact CG-CD 4.41Å; E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 VanDerWaalsContact O-CG 3.24Å; E22-K26 WeakPolarHBondContact O-CG 3.45Å; E22-K26 PolarHBondContact O-N 3.25Å; E22-K26 WeakPolarHBondContact OE1-CE 3.44Å; E22-K26 IonicContact OE1-NZ 3.42Å; E22-K26 PolarHBondContact OE1-NZ 2.93Å; E22-K26 IonicContact OE2-NZ 2.78Å; E22-K26 PolarHBondContact OE2-NZ 2.9Å
23	M	76.2	Confident	75.8	Confident	102 Å²	102	98.1 Å²	98.1	50%	0.502	48%	0.479	S	S	.	.	H	α-helix	trans	-62.3	-45.5	173.5	-77	-170.5	-66	0	0	112.5	H19 E20 K26 V27	H19-M23 WeakPolarHBondContact O-CG 3.13Å; H19-M23 PolarHBondContact O-N 3Å; E20-M23 HydrophobicContact CG-CE 4.36Å; E20-M23 PolarHBondContact O-N 2.93Å; M23-K26 PolarHBondContact O-N 2.89Å; M23-V27 WeakPolarHBondContact O-CG2 3.34Å; M23-V27 PolarHBondContact O-N 2.58Å
24	I	79.1	Confident	77	Confident	82 Å²	82	98.7 Å²	98.7	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-45.8	178.1	-68.9	162.7	0	0	0	110.3	L16 E20 R21 K26 V27 L28	L16-I24 HydrophobicContact CD1-CD1 3.84Å; E20-I24 WeakPolarHBondContact O-CG1 3.43Å; E20-I24 PolarHBondContact O-N 2.92Å; R21-I24 PolarHBondContact O-N 2.89Å; I24-K26 PolarHBondContact O-N 2.91Å; I24-V27 PolarHBondContact O-N 2.85Å; I24-L28 HydrophobicContact CG2-CD1 3.92Å; I24-L28 HydrophobicContact CG2-CG 4.42Å; I24-L28 WeakPolarHBondContact O-CG 3.37Å; I24-L28 PolarHBondContact O-N 2.86Å
25	L	77	Confident	77.9	Confident	86 Å²	86	100.7 Å²	100.7	45%	0.45	47%	0.474	S	S	.	.	H	α-helix	trans	-61.6	-41.4	175.8	-70.8	170.6	0	0	0	112.1	R21 E22 V27 L28 Q29	R21-L25 HydrophobicContact CG-CD1 4.28Å; R21-L25 WeakPolarHBondContact O-CB 3.39Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.27Å; R21-L25 PolarHBondContact O-N 2.99Å; E22-L25 PolarHBondContact O-N 3.48Å; L25-V27 PolarHBondContact O-N 2.87Å; L25-L28 PolarHBondContact O-N 3.17Å; L25-Q29 WeakPolarHBondContact O-CB 3.09Å; L25-Q29 WeakPolarHBondContact O-CG 3.38Å; L25-Q29 PolarHBondContact O-N 3.29Å
26	K	84.6	Confident	79	Confident	113 Å²	113	98.7 Å²	98.7	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-61.3	-40.3	174.4	-77.4	166.7	177.9	171.1	0	112.2	E22 M23 I24 K30	E22-K26 HydrophobicContact CG-CD 4.41Å; E22-K26 WeakPolarHBondContact O-CB 3.4Å; E22-K26 VanDerWaalsContact O-CG 3.24Å; E22-K26 WeakPolarHBondContact O-CG 3.45Å; E22-K26 PolarHBondContact O-N 3.25Å; E22-K26 WeakPolarHBondContact OE1-CE 3.44Å; E22-K26 IonicContact OE1-NZ 3.42Å; E22-K26 PolarHBondContact OE1-NZ 2.93Å; E22-K26 IonicContact OE2-NZ 2.78Å; E22-K26 PolarHBondContact OE2-NZ 2.9Å; M23-K26 PolarHBondContact O-N 2.89Å; I24-K26 PolarHBondContact O-N 2.91Å; K26-K30 VanDerWaalsContact O-CB 3.24Å; K26-K30 WeakPolarHBondContact O-CB 3.37Å; K26-K30 PolarHBondContact O-N 2.97Å
27	V	87.6	Confident	80.2	Confident	96 Å²	96	104 Å²	104	58%	0.582	48%	0.483	S	S	*	.	H	α-helix	trans	-67.1	-48.9	175.8	171.9	0	0	0	0	111.2	M23 I24 L25 Q29 K30 D31	M23-V27 WeakPolarHBondContact O-CG2 3.34Å; M23-V27 PolarHBondContact O-N 2.58Å; I24-V27 PolarHBondContact O-N 2.85Å; L25-V27 PolarHBondContact O-N 2.87Å; V27-Q29 PolarHBondContact O-N 3.03Å; V27-K30 WeakPolarHBondContact O-CB 3.41Å; V27-K30 PolarHBondContact O-N 3.07Å; V27-K30 VanDerWaalsContact O-N 3.12Å; V27-D31 PolarHBondContact O-N 2.89Å
28	L	79.6	Confident	80	Confident	98 Å²	98	102 Å²	102	51%	0.513	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-45.1	179.7	-70.2	172.3	0	0	0	111.9	I24 L25 K30 D31 E32	I24-L28 HydrophobicContact CG2-CD1 3.92Å; I24-L28 HydrophobicContact CG2-CG 4.42Å; I24-L28 WeakPolarHBondContact O-CG 3.37Å; I24-L28 PolarHBondContact O-N 2.86Å; L25-L28 PolarHBondContact O-N 3.17Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.22Å; L28-D31 PolarHBondContact O-N 2.69Å; L28-E32 WeakPolarHBondContact O-CB 3.4Å; L28-E32 PolarHBondContact O-N 2.78Å
29	Q	86.6	Confident	80.2	Confident	99 Å²	99	100.4 Å²	100.4	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-36.9	174	-73.6	-171.5	22	0	0	112.7	L25 V27 K33	L25-Q29 WeakPolarHBondContact O-CB 3.09Å; L25-Q29 WeakPolarHBondContact O-CG 3.38Å; L25-Q29 PolarHBondContact O-N 3.29Å; V27-Q29 PolarHBondContact O-N 3.03Å; Q29-K33 VanDerWaalsContact O-CB 3.23Å; Q29-K33 WeakPolarHBondContact O-CB 3.47Å; Q29-K33 VanDerWaalsContact O-CD 3.29Å; Q29-K33 WeakPolarHBondContact O-CD 3.45Å; Q29-K33 WeakPolarHBondContact O-CG 3.36Å; Q29-K33 PolarHBondContact O-N 3.01Å; Q29-K33 VanDerWaalsContact OE1-NZ 3.12Å
30	K	87.2	Confident	80.6	Confident	146 Å²	146	102 Å²	102	64%	0.635	47%	0.468	S	S	*	.	H	α-helix	trans	-67.3	-42.7	178.8	-175.9	-179.5	179.5	-178	0	111	K26 V27 L28 K33 L34	K26-K30 VanDerWaalsContact O-CB 3.24Å; K26-K30 WeakPolarHBondContact O-CB 3.37Å; K26-K30 PolarHBondContact O-N 2.97Å; V27-K30 WeakPolarHBondContact O-CB 3.41Å; V27-K30 PolarHBondContact O-N 3.07Å; V27-K30 VanDerWaalsContact O-N 3.12Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.22Å; K30-K33 PolarHBondContact O-N 2.76Å; K30-L34 HydrophobicContact CG-CD1 4.38Å; K30-L34 VanDerWaalsContact O-CG 3.3Å; K30-L34 WeakPolarHBondContact O-CG 3.43Å; K30-L34 PolarHBondContact O-N 3.02Å
31	D	77.7	Confident	80.4	Confident	60 Å²	60	105.2 Å²	105.2	32%	0.321	48%	0.477	S	S	.	.	H	α-helix	trans	-66.6	-45.5	175.4	175.6	67.1	0	0	0	112.1	V27 L28 K33 L34 R35	V27-D31 PolarHBondContact O-N 2.89Å; L28-D31 PolarHBondContact O-N 2.69Å; D31-K33 VanDerWaalsContact C-N 3.32Å; D31-K33 PolarHBondContact O-N 3.29Å; D31-L34 CarbonylContact O-C 3.43Å; D31-L34 WeakPolarHBondContact O-CA 3.38Å; D31-L34 WeakPolarHBondContact O-CB 3.46Å; D31-L34 PolarHBondContact O-N 3.32Å; D31-R35 PolarHBondContact O-N 3.3Å; D31-R35 IonicContact OD1-NE 3.59Å; D31-R35 IonicContact OD2-CZ 2.64Å; D31-R35 IonicContact OD2-NE 2.71Å; D31-R35 PolarHBondContact OD2-NE 3.1Å; D31-R35 IonicContact OD2-NH2 2.69Å; D31-R35 PolarHBondContact OD2-NH2 2.92Å
32	E	84.2	Confident	80.5	Confident	85 Å²	85	101.4 Å²	101.4	40%	0.397	47%	0.466	S	S	.	.	H	α-helix	trans	-58.8	-43.6	174.1	-167.8	-155.8	-171.6	0	0	111.4	L28 L34 R35 K36	L28-E32 WeakPolarHBondContact O-CB 3.4Å; L28-E32 PolarHBondContact O-N 2.78Å; E32-L34 VanDerWaalsContact C-N 3.28Å; E32-L34 PolarHBondContact O-N 3.47Å; E32-R35 PolarHBondContact O-N 3Å; E32-K36 HydrophobicContact CG-CD 4.17Å; E32-K36 WeakPolarHBondContact O-CB 3.01Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 2.92Å; E32-K36 WeakPolarHBondContact OE1-CE 3.37Å; E32-K36 IonicContact OE1-NZ 2.66Å; E32-K36 PolarHBondContact OE1-NZ 3.1Å; E32-K36 IonicContact OE2-NZ 2.72Å
33	K	87.2	Confident	80.7	Confident	103 Å²	103	102.5 Å²	102.5	45%	0.448	47%	0.465	S	S	.	.	H	α-helix	trans	-64.7	-28.4	173.5	-73.2	163.7	-175.5	162.6	0	112.2	Q29 K30 D31 R37	Q29-K33 VanDerWaalsContact O-CB 3.23Å; Q29-K33 WeakPolarHBondContact O-CB 3.47Å; Q29-K33 VanDerWaalsContact O-CD 3.29Å; Q29-K33 WeakPolarHBondContact O-CD 3.45Å; Q29-K33 WeakPolarHBondContact O-CG 3.36Å; Q29-K33 PolarHBondContact O-N 3.01Å; Q29-K33 VanDerWaalsContact OE1-NZ 3.12Å; K30-K33 PolarHBondContact O-N 2.76Å; D31-K33 VanDerWaalsContact C-N 3.32Å; D31-K33 PolarHBondContact O-N 3.29Å; K33-R37 VanDerWaalsContact C-NH1 3.26Å; K33-R37 WeakPolarHBondContact O-CG 3.44Å; K33-R37 PolarHBondContact O-N 2.94Å; K33-R37 PolarHBondContact O-NH1 3.49Å
34	L	80.1	Confident	80.9	Confident	91 Å²	91	104.1 Å²	104.1	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-74.1	-50.9	172.9	-76.8	163.5	0	0	0	110.9	K30 D31 E32 K36 R37 E38	K30-L34 HydrophobicContact CG-CD1 4.38Å; K30-L34 VanDerWaalsContact O-CG 3.3Å; K30-L34 WeakPolarHBondContact O-CG 3.43Å; K30-L34 PolarHBondContact O-N 3.02Å; D31-L34 CarbonylContact O-C 3.43Å; D31-L34 WeakPolarHBondContact O-CA 3.38Å; D31-L34 WeakPolarHBondContact O-CB 3.46Å; D31-L34 PolarHBondContact O-N 3.32Å; E32-L34 VanDerWaalsContact C-N 3.28Å; E32-L34 PolarHBondContact O-N 3.47Å; L34-K36 PolarHBondContact O-N 2.76Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 3.29Å; L34-E38 PolarHBondContact O-N 2.79Å
35	R	75.8	Confident	80.7	Confident	143 Å²	143	100.9 Å²	100.9	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-54.9	-48.3	175.5	-71.4	-166.1	-97.6	166.2	-6.1	111.7	D31 E32 R37 E38 E39	D31-R35 PolarHBondContact O-N 3.3Å; D31-R35 IonicContact OD1-NE 3.59Å; D31-R35 IonicContact OD2-CZ 2.64Å; D31-R35 IonicContact OD2-NE 2.71Å; D31-R35 PolarHBondContact OD2-NE 3.1Å; D31-R35 IonicContact OD2-NH2 2.69Å; D31-R35 PolarHBondContact OD2-NH2 2.92Å; E32-R35 PolarHBondContact O-N 3Å; R35-R37 PolarHBondContact O-N 3.03Å; R35-E38 PolarHBondContact O-N 3.25Å; R35-E39 VanDerWaalsContact O-CB 3.27Å; R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 3.45Å
36	K	84.7	Confident	80.6	Confident	109 Å²	109	100.2 Å²	100.2	47%	0.474	45%	0.447	S	S	.	.	H	α-helix	trans	-63	-19.8	175.5	-74.3	176	172	173.9	0	114.7	E32 L34 K40	E32-K36 HydrophobicContact CG-CD 4.17Å; E32-K36 WeakPolarHBondContact O-CB 3.01Å; E32-K36 WeakPolarHBondContact O-CG 3.32Å; E32-K36 PolarHBondContact O-N 2.92Å; E32-K36 WeakPolarHBondContact OE1-CE 3.37Å; E32-K36 IonicContact OE1-NZ 2.66Å; E32-K36 PolarHBondContact OE1-NZ 3.1Å; E32-K36 IonicContact OE2-NZ 2.72Å; L34-K36 PolarHBondContact O-N 2.76Å; K36-K40 WeakPolarHBondContact O-CD 3.26Å; K36-K40 VanDerWaalsContact O-CG 3.26Å; K36-K40 WeakPolarHBondContact O-CG 3.33Å
37	R	83.2	Confident	80.4	Confident	150 Å²	150	99.9 Å²	99.9	57%	0.566	45%	0.45	S	S	*	.	H	α-helix	trans	-84.5	-43.5	170.8	-75.4	-175.8	-153.1	98.2	-16.4	111.7	K33 L34 R35 K40 R41	K33-R37 VanDerWaalsContact C-NH1 3.26Å; K33-R37 WeakPolarHBondContact O-CG 3.44Å; K33-R37 PolarHBondContact O-N 2.94Å; K33-R37 PolarHBondContact O-NH1 3.49Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 3.29Å; R35-R37 PolarHBondContact O-N 3.03Å; R37-K40 PolarHBondContact O-N 3.07Å; R37-R41 PolarHBondContact O-N 3.29Å; R37-R41 VanDerWaalsContact O-N 3.08Å
38	E	73.7	Confident	79.7	Confident	67 Å²	67	97.5 Å²	97.5	31%	0.313	43%	0.434	S	S	.	.	H	α-helix	trans	-66.2	-43.9	-179.1	-160.4	58.2	-117.9	0	0	111.3	L34 R35 K40 R41 I42	L34-E38 PolarHBondContact O-N 2.79Å; R35-E38 PolarHBondContact O-N 3.25Å; E38-K40 VanDerWaalsContact C-N 3.3Å; E38-K40 PolarHBondContact O-N 3.29Å; E38-R41 CarbonylContact O-C 3.51Å; E38-R41 WeakPolarHBondContact O-CA 3.37Å; E38-R41 WeakPolarHBondContact O-CB 3.36Å; E38-R41 PolarHBondContact O-N 2.98Å; E38-R41 WeakPolarHBondContact OE1-CD 3.27Å; E38-R41 IonicContact OE1-CZ 3.18Å; E38-R41 IonicContact OE1-NE 2.66Å; E38-R41 IonicContact OE1-NH1 3.12Å; E38-R41 PolarHBondContact OE1-NH1 3.24Å; E38-R41 IonicContact OE2-CZ 3.31Å; E38-R41 IonicContact OE2-NH1 2.6Å; E38-R41 PolarHBondContact OE2-NH1 3.18Å; E38-R41 IonicContact OE2-NH2 3.99Å; E38-I42 HydrophobicContact CG-CD1 4.31Å; E38-I42 WeakPolarHBondContact O-CG1 3.28Å; E38-I42 PolarHBondContact O-N 3.01Å
39	E	75.6	Confident	79.5	Confident	89 Å²	89	93.9 Å²	93.9	42%	0.416	42%	0.415	S	S	.	.	H	α-helix	trans	-60.1	-39.3	176.3	-162.3	-143.8	126.6	0	0	111.9	R35 R41 I42 R43	R35-E39 VanDerWaalsContact O-CB 3.27Å; R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 3.45Å; E39-R41 PolarHBondContact O-N 2.83Å; E39-I42 PolarHBondContact O-N 3.21Å; E39-R43 WeakPolarHBondContact O-CB 3.39Å; E39-R43 WeakPolarHBondContact O-CG 3.37Å; E39-R43 PolarHBondContact O-N 3.34Å; E39-R43 IonicContact OE1-CZ 2.74Å; E39-R43 IonicContact OE1-NE 3.7Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 IonicContact OE1-NH2 3.44Å; E39-R43 PolarHBondContact OE1-NH2 2.93Å; E39-R43 IonicContact OE2-NH2 3.23Å
40	K	85.1	Confident	78.8	Confident	140 Å²	140	90.9 Å²	90.9	61%	0.609	40%	0.402	S	S	*	.	H	α-helix	trans	-64	-36.2	171.6	-77.3	177.9	175.9	-175.9	0	112.5	K36 R37 E38 K44	K36-K40 WeakPolarHBondContact O-CD 3.26Å; K36-K40 VanDerWaalsContact O-CG 3.26Å; K36-K40 WeakPolarHBondContact O-CG 3.33Å; R37-K40 PolarHBondContact O-N 3.07Å; E38-K40 VanDerWaalsContact C-N 3.3Å; E38-K40 PolarHBondContact O-N 3.29Å; K40-K44 PolarHBondContact O-N 3.02Å
41	R	73.8	Confident	78.2	Confident	137 Å²	137	88.4 Å²	88.4	52%	0.517	39%	0.393	S	S	.	.	H	α-helix	trans	-67.5	-44.5	174.2	-169.6	-171	-65.6	140	0.1	111.2	R37 E38 E39 K44 L45	R37-R41 PolarHBondContact O-N 3.29Å; R37-R41 VanDerWaalsContact O-N 3.08Å; E38-R41 CarbonylContact O-C 3.51Å; E38-R41 WeakPolarHBondContact O-CA 3.37Å; E38-R41 WeakPolarHBondContact O-CB 3.36Å; E38-R41 PolarHBondContact O-N 2.98Å; E38-R41 WeakPolarHBondContact OE1-CD 3.27Å; E38-R41 IonicContact OE1-CZ 3.18Å; E38-R41 IonicContact OE1-NE 2.66Å; E38-R41 IonicContact OE1-NH1 3.12Å; E38-R41 PolarHBondContact OE1-NH1 3.24Å; E38-R41 IonicContact OE2-CZ 3.31Å; E38-R41 IonicContact OE2-NH1 2.6Å; E38-R41 PolarHBondContact OE2-NH1 3.18Å; E38-R41 IonicContact OE2-NH2 3.99Å; E39-R41 PolarHBondContact O-N 2.83Å; R41-K44 PolarHBondContact O-N 3.04Å; R41-L45 HydrophobicContact CG-CD1 4.27Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 3.13Å
42	I	75.9	Confident	77.7	Confident	39 Å²	39	88.1 Å²	88.1	20%	0.2	39%	0.391	C	S	.	.	H	α-helix	trans	-61.8	-47.3	176.4	-67.6	165.6	0	0	0	110.7	E38 E39 K44 L45 K46 V120 T121	E38-I42 HydrophobicContact CG-CD1 4.31Å; E38-I42 WeakPolarHBondContact O-CG1 3.28Å; E38-I42 PolarHBondContact O-N 3.01Å; E39-I42 PolarHBondContact O-N 3.21Å; I42-K44 VanDerWaalsContact C-N 3.32Å; I42-K44 PolarHBondContact O-N 3.1Å; I42-L45 PolarHBondContact O-N 2.78Å; I42-K46 PolarHBondContact O-N 3.1Å; I42-V120 HydrophobicContact CD1-CG1 4.33Å; I42-V120 HydrophobicContact CG1-CG1 3.73Å; I42-T121 HydrophobicContact CG2-CG2 4.41Å
43	R	80.3	Confident	76.8	Confident	117 Å²	117	87.8 Å²	87.8	44%	0.442	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-40	176	-76	-168.2	-89.4	141.2	-16.9	112.1	E39 N47	E39-R43 WeakPolarHBondContact O-CB 3.39Å; E39-R43 WeakPolarHBondContact O-CG 3.37Å; E39-R43 PolarHBondContact O-N 3.34Å; E39-R43 IonicContact OE1-CZ 2.74Å; E39-R43 IonicContact OE1-NE 3.7Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 IonicContact OE1-NH2 3.44Å; E39-R43 PolarHBondContact OE1-NH2 2.93Å; E39-R43 IonicContact OE2-NH2 3.23Å; R43-N47 PolarHBondContact O-N 2.86Å; R43-N47 VanDerWaalsContact O-N 3.07Å
44	K	81.2	Confident	75.7	Confident	136 Å²	136	92 Å²	92	59%	0.591	40%	0.401	S	S	*	.	H	α-helix	trans	-62.9	-49.5	171.7	-177	170.6	179.5	176	0	112.2	K40 R41 I42 K46 N47 D48	K40-K44 PolarHBondContact O-N 3.02Å; R41-K44 PolarHBondContact O-N 3.04Å; I42-K44 VanDerWaalsContact C-N 3.32Å; I42-K44 PolarHBondContact O-N 3.1Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.45Å; K44-N47 PolarHBondContact O-N 3.01Å; K44-D48 VanDerWaalsContact O-CG 3.3Å; K44-D48 PolarHBondContact O-N 2.93Å
45	L	72.9	Confident	74.8	Confident	14 Å²	14	94.2 Å²	94.2	7%	0.073	41%	0.407	C	S	.	.	H	α-helix	trans	-60.3	-38.4	179.6	-75.9	167.2	0	0	0	112.9	R41 I42 L49 K113 E116 L117 V120	R41-L45 HydrophobicContact CG-CD1 4.27Å; R41-L45 WeakPolarHBondContact O-CG 3.45Å; R41-L45 PolarHBondContact O-N 3.13Å; I42-L45 PolarHBondContact O-N 2.78Å; L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.43Å; L45-L49 PolarHBondContact O-N 3.29Å; L45-L49 VanDerWaalsContact O-N 3.09Å; L45-K113 HydrophobicContact CD2-CD 4.35Å; L45-E116 WeakPolarHBondContact CD2-OE1 3.43Å; L45-L117 HydrophobicContact CB-CD1 4.01Å; L45-V120 HydrophobicContact CD1-CB 4.43Å; L45-V120 HydrophobicContact CD1-CG1 4.4Å; L45-V120 HydrophobicContact CD1-CG2 4.13Å
46	K	75.1	Confident	74	Confident	73 Å²	73	88.5 Å²	88.5	32%	0.317	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-45.8	171.4	-75.1	-174	175.6	-173	0	111.4	I42 K44 L49 L50 L117	I42-K46 PolarHBondContact O-N 3.1Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.45Å; K46-L49 PolarHBondContact O-N 3.47Å; K46-L50 WeakPolarHBondContact O-CG 3.42Å; K46-L50 PolarHBondContact O-N 3.39Å; K46-L117 HydrophobicContact CG-CD1 4.28Å; K46-L117 HydrophobicContact CG-CD2 4.38Å
47	N	80.2	Confident	72.2	Confident	105 Å²	105	87.9 Å²	87.9	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-66.3	-45.3	179.3	-73.7	-9.1	0	0	0	112.8	R43 K44 L49 L50 E51	R43-N47 PolarHBondContact O-N 2.86Å; R43-N47 VanDerWaalsContact O-N 3.07Å; K44-N47 PolarHBondContact O-N 3.01Å; N47-L49 VanDerWaalsContact C-N 3.26Å; N47-L49 PolarHBondContact O-N 3.49Å; N47-L50 PolarHBondContact O-N 2.86Å; N47-E51 PolarHBondContact O-N 2.76Å
48	D	73.8	Confident	70.5	Confident	47 Å²	47	91 Å²	91	25%	0.251	41%	0.414	S	S	.	.	H	α-helix	trans	-56.1	-42.9	174.6	-65.5	-4.9	0	0	0	110.4	K44 E51 I52	K44-D48 VanDerWaalsContact O-CG 3.3Å; K44-D48 PolarHBondContact O-N 2.93Å; D48-E51 PolarHBondContact O-N 2.65Å; D48-I52 WeakPolarHBondContact O-CD1 3.23Å; D48-I52 VanDerWaalsContact O-CG1 3.28Å; D48-I52 WeakPolarHBondContact O-CG1 3.48Å; D48-I52 PolarHBondContact O-N 2.99Å; D48-I52 VanDerWaalsContact O-N 3.09Å
49	L	75.3	Confident	69.2	Low	22 Å²	22	99.3 Å²	99.3	12%	0.115	44%	0.442	C	S	.	.	H	α-helix	trans	-66.2	-41.6	177.5	-177.2	153.3	0	0	0	112.5	L45 K46 N47 E51 K53 I114 L117	L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.43Å; L45-L49 PolarHBondContact O-N 3.29Å; L45-L49 VanDerWaalsContact O-N 3.09Å; K46-L49 PolarHBondContact O-N 3.47Å; N47-L49 VanDerWaalsContact C-N 3.26Å; N47-L49 PolarHBondContact O-N 3.49Å; L49-E51 VanDerWaalsContact C-N 3.35Å; L49-K53 WeakPolarHBondContact O-CB 3.35Å; L49-K53 PolarHBondContact O-N 2.85Å; L49-I114 HydrophobicContact CD1-CG1 3.73Å; L49-L117 HydrophobicContact CD1-CD2 4.06Å
50	L	72.2	Confident	67.8	Low	35 Å²	35	101.2 Å²	101.2	18%	0.183	46%	0.462	C	S	.	.	H	α-helix	trans	-64.6	-37.6	174.1	-72.9	172	0	0	0	111.8	K46 N47 K53 R54 I361	K46-L50 WeakPolarHBondContact O-CG 3.42Å; K46-L50 PolarHBondContact O-N 3.39Å; N47-L50 PolarHBondContact O-N 2.86Å; L50-K53 PolarHBondContact O-N 3.47Å; L50-R54 WeakPolarHBondContact O-CG 3.4Å; L50-R54 PolarHBondContact O-N 2.88Å; L50-I361 HydrophobicContact CD1-CD1 4.45Å
51	E	74.5	Confident	65.9	Low	95 Å²	95	103.1 Å²	103.1	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-64.9	-46	177.1	-162.3	-165.8	160.7	0	0	111.7	N47 D48 L49 K53 R54 K55	N47-E51 PolarHBondContact O-N 2.76Å; D48-E51 PolarHBondContact O-N 2.65Å; L49-E51 VanDerWaalsContact C-N 3.35Å; E51-K53 VanDerWaalsContact C-N 3.28Å; E51-K53 PolarHBondContact O-N 2.84Å; E51-R54 PolarHBondContact O-N 2.91Å; E51-K55 WeakPolarHBondContact O-CG 3.26Å; E51-K55 PolarHBondContact O-N 2.71Å; E51-K55 WeakPolarHBondContact OE1-CE 3.47Å; E51-K55 IonicContact OE1-NZ 3.51Å; E51-K55 PolarHBondContact OE1-NZ 2.99Å
52	I	67.4	Low	64.6	Low	54 Å²	54	104.3 Å²	104.3	28%	0.277	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-36.7	175.7	-56.9	160.1	0	0	0	110.4	D48 K55 G56 V110 K113	D48-I52 WeakPolarHBondContact O-CD1 3.23Å; D48-I52 VanDerWaalsContact O-CG1 3.28Å; D48-I52 WeakPolarHBondContact O-CG1 3.48Å; D48-I52 PolarHBondContact O-N 2.99Å; D48-I52 VanDerWaalsContact O-N 3.09Å; I52-K55 PolarHBondContact O-N 2.78Å; I52-G56 PolarHBondContact O-N 3.35Å; I52-V110 HydrophobicContact CB-CG2 4.34Å; I52-V110 HydrophobicContact CG2-CG2 3.4Å; I52-K113 HydrophobicContact CD1-CG 4.13Å
53	K	65.2	Low	63	Low	78 Å²	78	105.4 Å²	105.4	34%	0.339	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-40.1	175.4	-166.2	175.8	-175.4	177.8	0	112.3	L49 L50 E51 L364	L49-K53 WeakPolarHBondContact O-CB 3.35Å; L49-K53 PolarHBondContact O-N 2.85Å; L50-K53 PolarHBondContact O-N 3.47Å; E51-K53 VanDerWaalsContact C-N 3.28Å; E51-K53 PolarHBondContact O-N 2.84Å; K53-L364 PolarHBondContact NZ-O 2.82Å
54	R	64.3	Low	61.7	Low	191 Å²	191	109.9 Å²	109.9	72%	0.721	53%	0.527	S	S	*	.	H	α-helix	trans	-65.2	-45	173.6	-72.3	176	-171.8	168.7	3.7	111.9	L50 E51 G56 S57	L50-R54 WeakPolarHBondContact O-CG 3.4Å; L50-R54 PolarHBondContact O-N 2.88Å; E51-R54 PolarHBondContact O-N 2.91Å; R54-G56 PolarHBondContact O-N 3.14Å; R54-S57 PolarHBondContact O-N 3.14Å
55	K	62	Low	60.5	Low	137 Å²	137	108.9 Å²	108.9	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-60.5	-28.5	179.3	-73.9	175.5	-177.9	171.3	0	113.3	E51 I52 S57	E51-K55 WeakPolarHBondContact O-CG 3.26Å; E51-K55 PolarHBondContact O-N 2.71Å; E51-K55 WeakPolarHBondContact OE1-CE 3.47Å; E51-K55 IonicContact OE1-NZ 3.51Å; E51-K55 PolarHBondContact OE1-NZ 2.99Å; I52-K55 PolarHBondContact O-N 2.78Å; K55-S57 VanDerWaalsContact C-N 3.34Å
56	G	57	Low	60.2	Low	24 Å²	24	114.6 Å²	114.6	25%	0.247	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	2	174	0	0	0	0	0	116	I52 R54 R70	I52-G56 PolarHBondContact O-N 3.35Å; R54-G56 PolarHBondContact O-N 3.14Å; G56-R70 WeakPolarHBondContact CA-O 3.46Å
57	S	48.3	Very low	60.4	Low	95 Å²	95	114.6 Å²	114.6	66%	0.664	55%	0.546	S	S	*	.			trans	-121.8	83	-173.7	-161	0	0	0	0	112.6	R54 K55	R54-S57 PolarHBondContact O-N 3.14Å; K55-S57 VanDerWaalsContact C-N 3.34Å
58	R	46.6	Very low	60.4	Low	215 Å²	215	109.6 Å²	109.6	81%	0.811	52%	0.52	S	S	*	.			trans	-111.2	147.8	154.2	-73.2	-170.7	169.4	-159.2	-2.7	108.7	L72	R58-L72 HydrophobicContact CB-CD1 3.82Å
59	R	47.6	Very low	60.5	Low	242 Å²	242	109 Å²	109	91%	0.913	52%	0.521	S	S	*	.			trans	-66.3	133.7	-176.9	-62.4	179.5	-175.9	170.4	1.8	109.7	Q61	R59-Q61 PolarHBondContact O-N 2.87Å
60	P	44.5	Very low	60.7	Low	129 Å²	129	110.6 Å²	110.6	84%	0.838	53%	0.526	S	S	*	.			trans	-61.5	135.4	166.2	-18.8	31.8	0	0	0	109.8
61	Q	46.3	Very low	60.9	Low	181 Å²	181	111.7 Å²	111.7	85%	0.846	54%	0.536	S	S	*	.			trans	-128.7	106.6	164.3	-172.5	172.3	3.7	0	0	106.1	R59	R59-Q61 PolarHBondContact O-N 2.87Å
62	D	46.2	Very low	60.8	Low	162 Å²	162	110 Å²	110	87%	0.866	53%	0.529	S	S	*	.	S	Bend	trans	23.9	89.1	172.1	-52.9	-32.5	0	0	0	119.1
63	S	42	Very low	61.2	Low	62 Å²	62	112 Å²	112	43%	0.434	54%	0.536	S	S	.	.			trans	-154.8	145.5	146.6	74.1	0	0	0	0	111.5	E65	S63-E65 PolarHBondContact O-N 3.49Å; S63-E65 WeakPolarHBondContact OG-CB 3.23Å; S63-E65 VanDerWaalsContact OG-CD 3.29Å; S63-E65 WeakPolarHBondContact OG-CG 3.08Å; S63-E65 PolarHBondContact OG-OE2 3.3Å
64	E	52.8	Low	61.7	Low	211 Å²	211	112.2 Å²	112.2	99%	0.986	54%	0.544	S	S	*	.			trans	-79	33.8	174.5	-65.9	-165.8	116.7	0	0	112.7
65	E	55.9	Low	62.4	Low	114 Å²	114	103.7 Å²	103.7	53%	0.533	51%	0.513	S	S	.	.			trans	-87.8	143.9	-169.2	-70.8	176.4	149.7	0	0	113.4	S63 Q67 T74	S63-E65 PolarHBondContact O-N 3.49Å; S63-E65 WeakPolarHBondContact OG-CB 3.23Å; S63-E65 VanDerWaalsContact OG-CD 3.29Å; S63-E65 WeakPolarHBondContact OG-CG 3.08Å; S63-E65 PolarHBondContact OG-OE2 3.3Å; E65-Q67 HydrophobicContact CB-CG 4.16Å; E65-Q67 PolarHBondContact O-N 3.33Å; E65-Q67 PolarHBondContact OE2-NE2 3.27Å; E65-T74 HydrophobicContact CB-CG2 4.39Å
66	R	68	Low	62.9	Low	135 Å²	135	98.7 Å²	98.7	51%	0.509	50%	0.5	S	S	.	.			trans	-69.9	97.9	170.6	-62.6	179.5	178.9	-163.1	-0.3	108.3	L75	R66-L75 HydrophobicContact CB-CB 4.09Å; R66-L75 WeakPolarHBondContact O-CA 3.35Å; R66-L75 WeakPolarHBondContact O-CB 3.49Å; R66-L75 WeakPolarHBondContact O-CG 3.49Å; R66-L75 PolarHBondContact O-N 2.94Å
67	Q	79.3	Confident	63.1	Low	72 Å²	72	103.7 Å²	103.7	34%	0.336	52%	0.521	S	S	.	.	B	Isolated β-bridge	trans	-109.3	153.6	178.5	-67.9	176.7	7.1	0	0	112.1	E65 A69 T74	E65-Q67 HydrophobicContact CB-CG 4.16Å; E65-Q67 PolarHBondContact O-N 3.33Å; E65-Q67 PolarHBondContact OE2-NE2 3.27Å; Q67-A69 PolarHBondContact O-N 2.98Å; Q67-T74 HydrophobicContact CG-CG2 3.88Å
68	C	80	Confident	63.5	Low	0 Å²	0	105.2 Å²	105.2	0%	0	52%	0.52	C	S	.	.			trans	-75.5	119.8	175.4	175.4	0	0	0	0	111.1	R70 C71 L72 K73 L75 C93	C68-R70 PolarHBondContact O-N 3.21Å; C68-C71 PolarHBondContact O-N 3.43Å; C68-C71 PolarHBondContact SG-SG 3.06Å; C68-L72 WeakPolarHBondContact O-CA 3.06Å; C68-L72 PolarHBondContact O-N 2.86Å; C68-K73 PolarHBondContact N-O 3.48Å; C68-L75 HydrophobicContact CB-CD2 4.14Å; C68-L75 HydrophobicContact CB-CG 4.48Å; C68-C93 HydrophobicContact CB-CB 4.38Å; C68-C93 PolarHBondContact SG-N 3.28Å; C68-C93 VanDerWaalsContact SG-N 3.39Å
69	A	75.4	Confident	64	Low	35 Å²	35	103.3 Å²	103.3	29%	0.289	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	21	-179.4	0	0	0	0	0	115.6	Q67 L90 R91	Q67-A69 PolarHBondContact O-N 2.98Å; A69-L90 HydrophobicContact CB-CB 3.87Å; A69-L90 HydrophobicContact CB-CD1 4.22Å; A69-L90 HydrophobicContact CB-CD2 4.31Å; A69-L90 HydrophobicContact CB-CG 4.36Å; A69-R91 WeakPolarHBondContact CB-O 3.34Å; A69-R91 PolarHBondContact N-O 3.07Å
70	R	78.7	Confident	64.7	Low	56 Å²	56	94.7 Å²	94.7	21%	0.211	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-37.5	179	-64.2	-62.4	-178.1	-149.4	6.2	113.5	G56 C68 C88 V92 C96 C108	G56-R70 WeakPolarHBondContact CA-O 3.46Å; C68-R70 PolarHBondContact O-N 3.21Å; R70-C88 PolarHBondContact NH2-SG 2.87Å; R70-C88 VanDerWaalsContact NH2-SG 3.43Å; R70-V92 HydrophobicContact CB-CG1 4.36Å; R70-V92 HydrophobicContact CG-CG1 3.56Å; R70-C96 HydrophobicContact CB-CB 4.16Å; R70-C108 HydrophobicContact CG-CB 4.49Å; R70-C108 PolarHBondContact NE-SG 3.35Å; R70-C108 PolarHBondContact NH2-SG 3.31Å; R70-C108 VanDerWaalsContact NH2-SG 3.39Å
71	C	77	Confident	65.9	Low	58 Å²	58	95.4 Å²	95.4	39%	0.392	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	0.2	176.4	66.8	0	0	0	0	114.3	C68 K73 C93	C68-C71 PolarHBondContact O-N 3.43Å; C68-C71 PolarHBondContact SG-SG 3.06Å; C71-K73 PolarHBondContact O-N 3.14Å; C71-K73 VanDerWaalsContact SG-CB 3.57Å; C71-C93 VanDerWaalsContact SG-SG 3.69Å
72	L	72.1	Confident	67.2	Low	58 Å²	58	87.3 Å²	87.3	30%	0.304	44%	0.441	S	S	.	.			trans	59.1	2	179.5	-53.6	175.2	0	0	0	116.1	R58 C68 T74	R58-L72 HydrophobicContact CB-CD1 3.82Å; C68-L72 WeakPolarHBondContact O-CA 3.06Å; C68-L72 PolarHBondContact O-N 2.86Å; L72-T74 PolarHBondContact O-N 3Å
73	K	75.9	Confident	68.7	Low	97 Å²	97	84.1 Å²	84.1	42%	0.422	42%	0.421	S	S	.	.			trans	-52.6	132.5	168.6	-168.4	-172	-174.4	-168.3	0	110.4	C68 C71 D80 D95	C68-K73 PolarHBondContact N-O 3.48Å; C71-K73 PolarHBondContact O-N 3.14Å; C71-K73 VanDerWaalsContact SG-CB 3.57Å; K73-D80 IonicContact NZ-OD2 3.56Å; K73-D95 IonicContact NZ-OD2 3.13Å; K73-D95 PolarHBondContact NZ-OD2 3.42Å
74	T	76.6	Confident	70.5	Confident	82 Å²	82	85.6 Å²	85.6	50%	0.503	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-64.4	143	171.7	42.1	0	0	0	0	110.8	E65 Q67 L72	E65-T74 HydrophobicContact CB-CG2 4.39Å; Q67-T74 HydrophobicContact CG-CG2 3.88Å; L72-T74 PolarHBondContact O-N 3Å
75	L	78.6	Confident	71.9	Confident	13 Å²	13	75.6 Å²	75.6	7%	0.068	38%	0.376	C	S	.	.			trans	-109.6	124.5	-171.8	-61.7	170.5	0	0	0	109.2	R66 C68 D80 R91 C93	R66-L75 HydrophobicContact CB-CB 4.09Å; R66-L75 WeakPolarHBondContact O-CA 3.35Å; R66-L75 WeakPolarHBondContact O-CB 3.49Å; R66-L75 WeakPolarHBondContact O-CG 3.49Å; R66-L75 PolarHBondContact O-N 2.94Å; C68-L75 HydrophobicContact CB-CD2 4.14Å; C68-L75 HydrophobicContact CB-CG 4.48Å; L75-D80 WeakPolarHBondContact CA-O 3.45Å; L75-D80 VanDerWaalsContact CB-O 3.27Å; L75-D80 WeakPolarHBondContact CB-O 3.48Å; L75-D80 WeakPolarHBondContact CD2-O 3.44Å; L75-R91 HydrophobicContact CD1-CG 3.58Å; L75-C93 HydrophobicContact CD2-CB 3.75Å
76	G	72.2	Confident	73	Confident	32 Å²	32	74.7 Å²	74.7	33%	0.33	38%	0.376	S	S	.	.			trans	-69.8	153.8	-170.6	0	0	0	0	0	114	I78 F79 D80 R81	G76-I78 PolarHBondContact O-N 3.21Å; G76-F79 CarbonylContact C-O 3.52Å; G76-F79 WeakPolarHBondContact CA-O 3.36Å; G76-F79 PolarHBondContact N-O 2.87Å; G76-D80 PolarHBondContact N-O 3.44Å; G76-R81 WeakPolarHBondContact O-CA 3.45Å; G76-R81 VanDerWaalsContact O-CG 3.24Å; G76-R81 WeakPolarHBondContact O-CG 3.47Å
77	L	61.2	Low	73.4	Confident	129 Å²	129	72.9 Å²	72.9	68%	0.675	37%	0.373	S	S	*	.	S	Bend	trans	-70.2	-18	174.3	-74.4	164	0	0	0	113.1	R81	L77-R81 VanDerWaalsContact O-CZ 3.26Å; L77-R81 PolarHBondContact O-NE 3.36Å; L77-R81 PolarHBondContact O-NH2 3.18Å
78	I	57.1	Low	73.4	Confident	126 Å²	126	71.7 Å²	71.7	65%	0.646	37%	0.372	S	S	*	.	S	Bend	trans	-121.6	-64.2	-174.3	-56.3	176.4	0	0	0	109.7	G76	G76-I78 PolarHBondContact O-N 3.21Å
79	F	56.2	Low	73.4	Confident	176 Å²	176	80.6 Å²	80.6	77%	0.772	41%	0.406	S	S	*	.	S	Bend	trans	-97.1	150.1	174	-58.4	-79.4	0	0	0	110.9	G76 R81	G76-F79 CarbonylContact C-O 3.52Å; G76-F79 WeakPolarHBondContact CA-O 3.36Å; G76-F79 PolarHBondContact N-O 2.87Å; F79-R81 VanDerWaalsContact C-N 3.34Å; F79-R81 PolarHBondContact O-N 2.82Å
80	D	63.8	Low	73.7	Confident	60 Å²	60	82.4 Å²	82.4	32%	0.321	41%	0.41	S	S	.	.			trans	52	44.7	177.9	-114.4	-8.3	0	0	0	114.5	K73 L75 G76 G82 S94	K73-D80 IonicContact NZ-OD2 3.56Å; L75-D80 WeakPolarHBondContact CA-O 3.45Å; L75-D80 VanDerWaalsContact CB-O 3.27Å; L75-D80 WeakPolarHBondContact CB-O 3.48Å; L75-D80 WeakPolarHBondContact CD2-O 3.44Å; G76-D80 PolarHBondContact N-O 3.44Å; D80-G82 PolarHBondContact O-N 3.23Å; D80-S94 WeakPolarHBondContact OD1-CB 3.33Å; D80-S94 PolarHBondContact OD1-N 3.27Å; D80-S94 PolarHBondContact OD1-OG 2.85Å; D80-S94 PolarHBondContact OD2-OG 3.29Å
81	R	67.9	Low	73.8	Confident	144 Å²	144	83.8 Å²	83.8	54%	0.543	42%	0.415	S	S	.	.			trans	-57.2	-12.9	174.2	-71.4	173.8	168.1	177	-1.1	114.8	G76 L77 F79 R91	G76-R81 WeakPolarHBondContact O-CA 3.45Å; G76-R81 VanDerWaalsContact O-CG 3.24Å; G76-R81 WeakPolarHBondContact O-CG 3.47Å; L77-R81 VanDerWaalsContact O-CZ 3.26Å; L77-R81 PolarHBondContact O-NE 3.36Å; L77-R81 PolarHBondContact O-NH2 3.18Å; F79-R81 VanDerWaalsContact C-N 3.34Å; F79-R81 PolarHBondContact O-N 2.82Å; R81-R91 PolarHBondContact O-NH1 2.98Å
82	G	73.8	Confident	74.1	Confident	11 Å²	11	81.1 Å²	81.1	11%	0.113	40%	0.397	C	S	.	.			trans	66.7	144.4	-171.5	0	0	0	0	0	113.5	D80 R91 V92	D80-G82 PolarHBondContact O-N 3.23Å; G82-R91 PolarHBondContact O-NH1 2.83Å; G82-V92 CarbonylContact C-O 3.52Å; G82-V92 WeakPolarHBondContact CA-O 3.2Å
83	E	77.5	Confident	74.6	Confident	95 Å²	95	78.5 Å²	78.5	44%	0.444	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	160.9	177	-62.9	174	-134.6	0	0	110.4	R91 V92 R97 W106	E83-R91 CarbonylContact O-C 3.47Å; E83-R91 WeakPolarHBondContact O-CA 3.36Å; E83-V92 PolarHBondContact N-O 3.22Å; E83-V92 PolarHBondContact O-N 2.78Å; E83-R97 IonicContact OE1-NH1 3.51Å; E83-R97 PolarHBondContact OE1-NH1 3.24Å; E83-R97 VanDerWaalsContact OE1-NH1 3.13Å; E83-W106 HydrophobicContact CB-CH2 3.96Å; E83-W106 HydrophobicContact CB-CZ2 3.35Å; E83-W106 HydrophobicContact CG-CZ2 4.44Å; E83-W106 PolarHBondContact OE2-NE1 3Å
84	L	80.1	Confident	74.8	Confident	93 Å²	93	75.7 Å²	75.7	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.7	179.1	-54.5	-177	0	0	0	109.9	D86 R91 W106	L84-D86 PolarHBondContact O-N 2.97Å; L84-R91 HydrophobicContact CD2-CB 3.89Å; L84-R91 HydrophobicContact CD2-CG 4.45Å; L84-W106 VanDerWaalsContact C-CH2 3.49Å; L84-W106 WeakPolarHBondContact O-CH2 3.39Å; L84-W106 VanDerWaalsContact O-CZ2 3.3Å; L84-W106 WeakPolarHBondContact O-CZ2 3.5Å
85	C	81.9	Confident	74.9	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.007	38%	0.378	C	S	.	.			trans	-63.1	128.3	176.7	176.1	0	0	0	0	111.8	E87 C88 R89 L90 W106 C108	C85-E87 PolarHBondContact O-N 3.15Å; C85-C88 VanDerWaalsContact SG-SG 3.68Å; C85-R89 WeakPolarHBondContact O-CA 3.47Å; C85-R89 PolarHBondContact O-N 3.47Å; C85-L90 PolarHBondContact N-O 2.73Å; C85-W106 HydrophobicContact CB-CH2 4.26Å; C85-W106 HydrophobicContact CB-CZ3 4.2Å; C85-C108 HydrophobicContact CB-CB 4.06Å; C85-C108 PolarHBondContact SG-N 2.97Å
86	D	79.8	Confident	75	Confident	96 Å²	96	76.7 Å²	76.7	51%	0.513	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	-40.8	-178.6	-89.6	0.9	0	0	0	114.1	L84	L84-D86 PolarHBondContact O-N 2.97Å
87	E	76.6	Confident	75.6	Confident	97 Å²	97	80.2 Å²	80.2	45%	0.453	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-70.7	179.4	-71.3	-179.3	173.1	0	0	113.1	C85 R89 R107 C111	C85-E87 PolarHBondContact O-N 3.15Å; E87-R89 PolarHBondContact O-N 3.03Å; E87-R107 VanDerWaalsContact CD-NH1 3.29Å; E87-R107 IonicContact OE1-CZ 3.01Å; E87-R107 IonicContact OE1-NH1 3.2Å; E87-R107 PolarHBondContact OE1-NH1 3.15Å; E87-R107 IonicContact OE1-NH2 3.88Å; E87-R107 PolarHBondContact OE1-NH2 2.96Å; E87-R107 IonicContact OE2-CZ 2.72Å; E87-R107 IonicContact OE2-NH1 2.82Å; E87-R107 IonicContact OE2-NH2 2.65Å; E87-R107 PolarHBondContact OE2-NH2 3.39Å; E87-C111 WeakPolarHBondContact OE2-CB 3.32Å; E87-C111 PolarHBondContact OE2-SG 2.95Å
88	C	79.6	Confident	76.2	Confident	47 Å²	47	75.1 Å²	75.1	32%	0.318	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.3	-169.1	71.1	0	0	0	0	113.7	R70 C85 L90	R70-C88 PolarHBondContact NH2-SG 2.87Å; R70-C88 VanDerWaalsContact NH2-SG 3.43Å; C85-C88 VanDerWaalsContact SG-SG 3.68Å; C88-L90 HydrophobicContact CB-CG 4.48Å; C88-L90 PolarHBondContact O-N 3.12Å
89	R	80	Confident	76.8	Confident	187 Å²	187	74.8 Å²	74.8	71%	0.706	37%	0.365	S	S	*	.			trans	55.1	11	179.2	-53.7	-173.7	-174.7	-164.7	1.6	116	C85 E87	C85-R89 WeakPolarHBondContact O-CA 3.47Å; C85-R89 PolarHBondContact O-N 3.47Å; E87-R89 PolarHBondContact O-N 3.03Å
90	L	80.5	Confident	77.3	Confident	72 Å²	72	69.5 Å²	69.5	38%	0.377	34%	0.344	S	S	.	.			trans	-75.9	143.2	174.6	-65.3	176.7	0	0	0	110.7	A69 C85 C88	A69-L90 HydrophobicContact CB-CB 3.87Å; A69-L90 HydrophobicContact CB-CD1 4.22Å; A69-L90 HydrophobicContact CB-CD2 4.31Å; A69-L90 HydrophobicContact CB-CG 4.36Å; C85-L90 PolarHBondContact N-O 2.73Å; C88-L90 HydrophobicContact CB-CG 4.48Å; C88-L90 PolarHBondContact O-N 3.12Å
91	R	80.9	Confident	77	Confident	86 Å²	86	71.4 Å²	71.4	33%	0.325	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.6	177.3	-172.6	178.4	-68.3	-80.7	-9.8	111	A69 L75 R81 G82 E83 L84	A69-R91 WeakPolarHBondContact CB-O 3.34Å; A69-R91 PolarHBondContact N-O 3.07Å; L75-R91 HydrophobicContact CD1-CG 3.58Å; R81-R91 PolarHBondContact O-NH1 2.98Å; G82-R91 PolarHBondContact O-NH1 2.83Å; E83-R91 CarbonylContact O-C 3.47Å; E83-R91 WeakPolarHBondContact O-CA 3.36Å; L84-R91 HydrophobicContact CD2-CB 3.89Å; L84-R91 HydrophobicContact CD2-CG 4.45Å
92	V	83	Confident	76.6	Confident	2 Å²	2	69 Å²	69	1%	0.012	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.5	-179.4	-58.7	0	0	0	0	112.8	R70 G82 E83 C96 W106 C108	R70-V92 HydrophobicContact CB-CG1 4.36Å; R70-V92 HydrophobicContact CG-CG1 3.56Å; G82-V92 CarbonylContact C-O 3.52Å; G82-V92 WeakPolarHBondContact CA-O 3.2Å; E83-V92 PolarHBondContact N-O 3.22Å; E83-V92 PolarHBondContact O-N 2.78Å; V92-C96 HydrophobicContact CB-CB 3.93Å; V92-W106 HydrophobicContact CG2-CH2 3.66Å; V92-W106 HydrophobicContact CG2-CZ3 3.53Å; V92-C108 HydrophobicContact CG1-CB 3.88Å; V92-C108 HydrophobicContact CG2-CB 4.13Å
93	C	84.6	Confident	76.2	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.014	40%	0.4	C	S	.	.			trans	-72.9	168.7	174.6	67.6	0	0	0	0	112	C68 C71 L75 D95 C96	C68-C93 HydrophobicContact CB-CB 4.38Å; C68-C93 PolarHBondContact SG-N 3.28Å; C68-C93 VanDerWaalsContact SG-N 3.39Å; C71-C93 VanDerWaalsContact SG-SG 3.69Å; L75-C93 HydrophobicContact CD2-CB 3.75Å; C93-D95 PolarHBondContact O-N 3.3Å; C93-D95 PolarHBondContact SG-OD2 2.75Å; C93-C96 PolarHBondContact O-N 2.95Å; C93-C96 VanDerWaalsContact SG-SG 3.63Å
94	S	79.1	Confident	75.7	Confident	39 Å²	39	78.6 Å²	78.6	27%	0.273	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.1	178.1	55.2	0	0	0	0	114.9	D80 R97	D80-S94 WeakPolarHBondContact OD1-CB 3.33Å; D80-S94 PolarHBondContact OD1-N 3.27Å; D80-S94 PolarHBondContact OD1-OG 2.85Å; D80-S94 PolarHBondContact OD2-OG 3.29Å; S94-R97 WeakPolarHBondContact O-CG 3.42Å; S94-R97 PolarHBondContact O-NE 3.11Å; S94-R97 VanDerWaalsContact O-NE 3.14Å
95	D	79.5	Confident	75.4	Confident	101 Å²	101	80.5 Å²	80.5	54%	0.54	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-24	174.6	-43	-59.6	0	0	0	113.2	K73 C93 N109	K73-D95 IonicContact NZ-OD2 3.13Å; K73-D95 PolarHBondContact NZ-OD2 3.42Å; C93-D95 PolarHBondContact O-N 3.3Å; C93-D95 PolarHBondContact SG-OD2 2.75Å; D95-N109 PolarHBondContact O-ND2 3.44Å
96	C	80.1	Confident	75.4	Confident	15 Å²	15	82.1 Å²	82.1	10%	0.101	44%	0.435	C	S	.	.	S	Bend	trans	-99	14.8	-170.9	-78.3	0	0	0	0	114	R70 V92 C93 C108 N109	R70-C96 HydrophobicContact CB-CB 4.16Å; V92-C96 HydrophobicContact CB-CB 3.93Å; C93-C96 PolarHBondContact O-N 2.95Å; C93-C96 VanDerWaalsContact SG-SG 3.63Å; C96-C108 CarbonylContact O-C 3.47Å; C96-C108 VanDerWaalsContact O-CA 3.22Å; C96-C108 WeakPolarHBondContact O-CA 3.47Å; C96-N109 VanDerWaalsContact C-OD1 3.31Å; C96-N109 PolarHBondContact O-N 3.09Å; C96-N109 PolarHBondContact O-OD1 3.35Å
97	R	83.6	Confident	75.7	Confident	106 Å²	106	78.9 Å²	78.9	40%	0.4	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139	178.4	51.2	171.5	-173.9	-165.9	3.1	111.6	E83 S94 W106 R107 N109	E83-R97 IonicContact OE1-NH1 3.51Å; E83-R97 PolarHBondContact OE1-NH1 3.24Å; E83-R97 VanDerWaalsContact OE1-NH1 3.13Å; S94-R97 WeakPolarHBondContact O-CG 3.42Å; S94-R97 PolarHBondContact O-NE 3.11Å; S94-R97 VanDerWaalsContact O-NE 3.14Å; R97-W106 HydrophobicContact CB-CD2 4.03Å; R97-W106 HydrophobicContact CB-CE3 3.32Å; R97-W106 HydrophobicContact CB-CZ3 3.77Å; R97-W106 HydrophobicContact CG-CE3 4.49Å; R97-R107 WeakPolarHBondContact CA-O 3.39Å; R97-N109 WeakPolarHBondContact CA-OD1 3.39Å; R97-N109 PolarHBondContact N-OD1 2.7Å; R97-N109 PolarHBondContact O-OD1 3.24Å
98	G	74.7	Confident	76.1	Confident	22 Å²	22	74.2 Å²	74.2	23%	0.227	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135	168.5	0	0	0	0	0	110.7	W106 R107 N109	G98-W106 WeakPolarHBondContact O-CA 3.48Å; G98-R107 PolarHBondContact N-O 3.11Å; G98-R107 PolarHBondContact O-N 3.45Å; G98-N109 PolarHBondContact N-OD1 3.43Å
99	T	69.8	Low	76.2	Confident	119 Å²	119	74.9 Å²	74.9	73%	0.73	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.5	175.6	-39.8	0	0	0	0	110.2
100	I	66.1	Low	76.3	Confident	64 Å²	64	66.7 Å²	66.7	33%	0.328	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-83	122.4	175.2	-55.5	173	0	0	0	108.8	G102 S103 K105 R107	I100-G102 PolarHBondContact O-N 2.84Å; I100-S103 PolarHBondContact O-N 2.87Å; I100-S103 VanDerWaalsContact O-N 3.1Å; I100-K105 HydrophobicContact CD1-CB 4.24Å; I100-K105 PolarHBondContact N-O 2.74Å; I100-K105 VanDerWaalsContact N-O 3.14Å; I100-R107 HydrophobicContact CG1-CG 4.27Å
101	A	57.7	Low	76.3	Confident	101 Å²	101	63.5 Å²	63.5	84%	0.835	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.6	177	0	0	0	0	0	111.1
102	G	60.8	Low	76.4	Confident	93 Å²	93	60.9 Å²	60.9	96%	0.959	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	5.1	-178.8	0	0	0	0	0	116.4	I100	I100-G102 PolarHBondContact O-N 2.84Å
103	S	65.2	Low	76.1	Confident	50 Å²	50	63.4 Å²	63.4	35%	0.35	36%	0.356	S	S	.	.	S	Bend	trans	-143.2	157.8	175.5	84.1	0	0	0	0	114.1	I100 K105	I100-S103 PolarHBondContact O-N 2.87Å; I100-S103 VanDerWaalsContact O-N 3.1Å; S103-K105 PolarHBondContact O-N 2.92Å; S103-K105 PolarHBondContact OG-N 3.02Å
104	R	65.2	Low	75.8	Confident	258 Å²	258	65.5 Å²	65.5	97%	0.974	37%	0.367	S	S	*	.	S	Bend	trans	-77	8.9	170.1	-71.5	-171.8	178.2	179	0.5	113.8
105	K	74	Confident	75.7	Confident	132 Å²	132	66 Å²	66	57%	0.574	37%	0.371	S	S	*	.			trans	-92.6	141.4	178.4	-62.9	-171	178.5	-173.6	0	110.8	I100 S103	I100-K105 HydrophobicContact CD1-CB 4.24Å; I100-K105 PolarHBondContact N-O 2.74Å; I100-K105 VanDerWaalsContact N-O 3.14Å; S103-K105 PolarHBondContact O-N 2.92Å; S103-K105 PolarHBondContact OG-N 3.02Å
106	W	82.3	Confident	75.6	Confident	36 Å²	36	65 Å²	65	14%	0.136	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	153.9	178.7	73	-101	0	0	0	109.9	E83 L84 C85 V92 R97 G98	E83-W106 HydrophobicContact CB-CH2 3.96Å; E83-W106 HydrophobicContact CB-CZ2 3.35Å; E83-W106 HydrophobicContact CG-CZ2 4.44Å; E83-W106 PolarHBondContact OE2-NE1 3Å; L84-W106 VanDerWaalsContact C-CH2 3.49Å; L84-W106 WeakPolarHBondContact O-CH2 3.39Å; L84-W106 VanDerWaalsContact O-CZ2 3.3Å; L84-W106 WeakPolarHBondContact O-CZ2 3.5Å; C85-W106 HydrophobicContact CB-CH2 4.26Å; C85-W106 HydrophobicContact CB-CZ3 4.2Å; V92-W106 HydrophobicContact CG2-CH2 3.66Å; V92-W106 HydrophobicContact CG2-CZ3 3.53Å; R97-W106 HydrophobicContact CB-CD2 4.03Å; R97-W106 HydrophobicContact CB-CE3 3.32Å; R97-W106 HydrophobicContact CB-CZ3 3.77Å; R97-W106 HydrophobicContact CG-CE3 4.49Å; G98-W106 WeakPolarHBondContact O-CA 3.48Å
107	R	86	Confident	75.4	Confident	27 Å²	27	65.2 Å²	65.2	10%	0.102	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	151.6	-178.6	63.5	-160.7	-68.6	110	0.3	109.5	E87 R97 G98 I100 C111 A112	E87-R107 VanDerWaalsContact CD-NH1 3.29Å; E87-R107 IonicContact OE1-CZ 3.01Å; E87-R107 IonicContact OE1-NH1 3.2Å; E87-R107 PolarHBondContact OE1-NH1 3.15Å; E87-R107 IonicContact OE1-NH2 3.88Å; E87-R107 PolarHBondContact OE1-NH2 2.96Å; E87-R107 IonicContact OE2-CZ 2.72Å; E87-R107 IonicContact OE2-NH1 2.82Å; E87-R107 IonicContact OE2-NH2 2.65Å; E87-R107 PolarHBondContact OE2-NH2 3.39Å; R97-R107 WeakPolarHBondContact CA-O 3.39Å; G98-R107 PolarHBondContact N-O 3.11Å; G98-R107 PolarHBondContact O-N 3.45Å; I100-R107 HydrophobicContact CG1-CG 4.27Å; R107-C111 HydrophobicContact CB-CB 4.09Å; R107-C111 VanDerWaalsContact NE-C 3.31Å; R107-C111 PolarHBondContact NE-O 2.88Å; R107-C111 PolarHBondContact NH2-O 2.92Å; R107-A112 HydrophobicContact CG-CB 4.03Å
108	C	86.1	Confident	74.9	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	154.2	175.9	76.5	0	0	0	0	111.4	R70 C85 V92 C96 V110 C111 A112	R70-C108 HydrophobicContact CG-CB 4.49Å; R70-C108 PolarHBondContact NE-SG 3.35Å; R70-C108 PolarHBondContact NH2-SG 3.31Å; R70-C108 VanDerWaalsContact NH2-SG 3.39Å; C85-C108 HydrophobicContact CB-CB 4.06Å; C85-C108 PolarHBondContact SG-N 2.97Å; V92-C108 HydrophobicContact CG1-CB 3.88Å; V92-C108 HydrophobicContact CG2-CB 4.13Å; C96-C108 CarbonylContact O-C 3.47Å; C96-C108 VanDerWaalsContact O-CA 3.22Å; C96-C108 WeakPolarHBondContact O-CA 3.47Å; C108-V110 PolarHBondContact O-N 3.44Å; C108-V110 VanDerWaalsContact O-N 3.11Å; C108-C111 CarbonylContact O-C 3.51Å; C108-C111 WeakPolarHBondContact O-CA 3.35Å; C108-C111 WeakPolarHBondContact O-CB 3.47Å; C108-C111 PolarHBondContact O-N 2.81Å; C108-C111 VanDerWaalsContact SG-SG 3.62Å; C108-A112 PolarHBondContact O-N 2.86Å
109	N	81.9	Confident	75	Confident	61 Å²	61	65 Å²	65	33%	0.326	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-31.5	-171.8	-61.9	-6.6	0	0	0	113.6	D95 C96 R97 G98 A112 K113	D95-N109 PolarHBondContact O-ND2 3.44Å; C96-N109 VanDerWaalsContact C-OD1 3.31Å; C96-N109 PolarHBondContact O-N 3.09Å; C96-N109 PolarHBondContact O-OD1 3.35Å; R97-N109 WeakPolarHBondContact CA-OD1 3.39Å; R97-N109 PolarHBondContact N-OD1 2.7Å; R97-N109 PolarHBondContact O-OD1 3.24Å; G98-N109 PolarHBondContact N-OD1 3.43Å; N109-A112 WeakPolarHBondContact O-CB 3.3Å; N109-A112 PolarHBondContact O-N 3.41Å; N109-K113 PolarHBondContact O-N 2.79Å
110	V	81.4	Confident	75.1	Confident	15 Å²	15	61.9 Å²	61.9	9%	0.091	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-45.7	171.4	172.3	0	0	0	0	111.6	I52 C108 A112 K113 I114	I52-V110 HydrophobicContact CB-CG2 4.34Å; I52-V110 HydrophobicContact CG2-CG2 3.4Å; C108-V110 PolarHBondContact O-N 3.44Å; C108-V110 VanDerWaalsContact O-N 3.11Å; V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 2.87Å; V110-K113 PolarHBondContact O-N 2.72Å; V110-I114 HydrophobicContact CG1-CD1 3.74Å; V110-I114 HydrophobicContact CG1-CG1 4.41Å; V110-I114 VanDerWaalsContact O-CG1 3.28Å; V110-I114 WeakPolarHBondContact O-CG1 3.22Å; V110-I114 PolarHBondContact O-N 3.34Å
111	C	81.3	Confident	75.2	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.034	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-39.2	174	-76.3	0	0	0	0	111.4	E87 R107 C108 I114 S115	E87-C111 WeakPolarHBondContact OE2-CB 3.32Å; E87-C111 PolarHBondContact OE2-SG 2.95Å; R107-C111 HydrophobicContact CB-CB 4.09Å; R107-C111 VanDerWaalsContact NE-C 3.31Å; R107-C111 PolarHBondContact NE-O 2.88Å; R107-C111 PolarHBondContact NH2-O 2.92Å; C108-C111 CarbonylContact O-C 3.51Å; C108-C111 WeakPolarHBondContact O-CA 3.35Å; C108-C111 WeakPolarHBondContact O-CB 3.47Å; C108-C111 PolarHBondContact O-N 2.81Å; C108-C111 VanDerWaalsContact SG-SG 3.62Å; C111-I114 PolarHBondContact O-N 2.94Å; C111-S115 PolarHBondContact O-N 2.67Å
112	A	82.2	Confident	75.7	Confident	31 Å²	31	57.9 Å²	57.9	26%	0.256	32%	0.321	S	S	.	.	H	α-helix	trans	-55.1	-54	173.2	0	0	0	0	0	111	R107 C108 N109 V110 I114 S115 E116	R107-A112 HydrophobicContact CG-CB 4.03Å; C108-A112 PolarHBondContact O-N 2.86Å; N109-A112 WeakPolarHBondContact O-CB 3.3Å; N109-A112 PolarHBondContact O-N 3.41Å; V110-A112 VanDerWaalsContact C-N 3.32Å; V110-A112 PolarHBondContact O-N 2.87Å; A112-I114 PolarHBondContact O-N 3.06Å; A112-S115 PolarHBondContact O-N 3.31Å; A112-E116 WeakPolarHBondContact O-CB 3.23Å; A112-E116 PolarHBondContact O-N 2.83Å
113	K	76.6	Confident	75.9	Confident	54 Å²	54	56.9 Å²	56.9	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-31.8	178.9	-76.1	-75.5	166.4	-166	0	114.2	L45 I52 N109 V110 E116 L117	L45-K113 HydrophobicContact CD2-CD 4.35Å; I52-K113 HydrophobicContact CD1-CG 4.13Å; N109-K113 PolarHBondContact O-N 2.79Å; V110-K113 PolarHBondContact O-N 2.72Å; K113-E116 VanDerWaalsContact CD-OE2 3.3Å; K113-E116 WeakPolarHBondContact CD-OE2 3.41Å; K113-E116 WeakPolarHBondContact CE-OE2 3.45Å; K113-E116 IonicContact NZ-OE1 2.69Å; K113-E116 PolarHBondContact NZ-OE1 2.89Å; K113-E116 IonicContact NZ-OE2 3.48Å; K113-E116 PolarHBondContact NZ-OE2 3.42Å; K113-L117 WeakPolarHBondContact O-CB 3.02Å; K113-L117 PolarHBondContact O-N 2.95Å
114	I	78.8	Confident	75.9	Confident	47 Å²	47	61 Å²	61	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-44.9	171.2	-71.3	164.4	0	0	0	111	L49 V110 C111 A112 L117 K118	L49-I114 HydrophobicContact CD1-CG1 3.73Å; V110-I114 HydrophobicContact CG1-CD1 3.74Å; V110-I114 HydrophobicContact CG1-CG1 4.41Å; V110-I114 VanDerWaalsContact O-CG1 3.28Å; V110-I114 WeakPolarHBondContact O-CG1 3.22Å; V110-I114 PolarHBondContact O-N 3.34Å; C111-I114 PolarHBondContact O-N 2.94Å; A112-I114 PolarHBondContact O-N 3.06Å; I114-L117 PolarHBondContact O-N 2.64Å; I114-K118 HydrophobicContact CG2-CD 4.08Å; I114-K118 HydrophobicContact CG2-CG 4.47Å; I114-K118 WeakPolarHBondContact O-CB 3.5Å; I114-K118 WeakPolarHBondContact O-CG 3.43Å; I114-K118 PolarHBondContact O-N 2.76Å
115	S	76.7	Confident	75	Confident	49 Å²	49	55 Å²	55	34%	0.343	28%	0.28	S	S	.	.	H	α-helix	trans	-71	-34.6	178.6	172.9	0	0	0	0	112.5	C111 A112 K118 V119	C111-S115 PolarHBondContact O-N 2.67Å; A112-S115 PolarHBondContact O-N 3.31Å; S115-K118 PolarHBondContact O-N 2.96Å; S115-V119 VanDerWaalsContact O-CG2 3.3Å; S115-V119 WeakPolarHBondContact O-CG2 3.49Å; S115-V119 PolarHBondContact O-N 2.73Å
116	E	77.8	Confident	74.1	Confident	81 Å²	81	54.3 Å²	54.3	38%	0.379	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-46.9	172.8	-170.7	-177.5	153.3	0	0	110.6	L45 A112 K113 V119 V120	L45-E116 WeakPolarHBondContact CD2-OE1 3.43Å; A112-E116 WeakPolarHBondContact O-CB 3.23Å; A112-E116 PolarHBondContact O-N 2.83Å; K113-E116 VanDerWaalsContact CD-OE2 3.3Å; K113-E116 WeakPolarHBondContact CD-OE2 3.41Å; K113-E116 WeakPolarHBondContact CE-OE2 3.45Å; K113-E116 IonicContact NZ-OE1 2.69Å; K113-E116 PolarHBondContact NZ-OE1 2.89Å; K113-E116 IonicContact NZ-OE2 3.48Å; K113-E116 PolarHBondContact NZ-OE2 3.42Å; E116-V119 PolarHBondContact O-N 2.78Å; E116-V120 WeakPolarHBondContact O-CG2 3.37Å; E116-V120 PolarHBondContact O-N 3.22Å; E116-V120 VanDerWaalsContact O-N 3.09Å
117	L	74.6	Confident	72.7	Confident	18 Å²	18	57.5 Å²	57.5	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-50.3	174.2	-175.5	66.3	0	0	0	111.2	L45 K46 L49 K113 I114 V119 V120 T121	L45-L117 HydrophobicContact CB-CD1 4.01Å; K46-L117 HydrophobicContact CG-CD1 4.28Å; K46-L117 HydrophobicContact CG-CD2 4.38Å; L49-L117 HydrophobicContact CD1-CD2 4.06Å; K113-L117 WeakPolarHBondContact O-CB 3.02Å; K113-L117 PolarHBondContact O-N 2.95Å; I114-L117 PolarHBondContact O-N 2.64Å; L117-V119 PolarHBondContact O-N 2.79Å; L117-V120 CarbonylContact O-C 3.57Å; L117-V120 PolarHBondContact O-N 3.2Å; L117-T121 HydrophobicContact CD1-CG2 3.93Å; L117-T121 HydrophobicContact CG-CG2 4.19Å; L117-T121 PolarHBondContact O-N 3.11Å; L117-T121 PolarHBondContact O-OG1 2.88Å; L117-T121 VanDerWaalsContact O-OG1 3.07Å
118	K	73.3	Confident	71	Confident	39 Å²	39	58.6 Å²	58.6	17%	0.17	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-26.8	179	-76.9	-178.4	167.6	-179.6	0	114.3	I114 S115 G122 E123 W124 E127	I114-K118 HydrophobicContact CG2-CD 4.08Å; I114-K118 HydrophobicContact CG2-CG 4.47Å; I114-K118 WeakPolarHBondContact O-CB 3.5Å; I114-K118 WeakPolarHBondContact O-CG 3.43Å; I114-K118 PolarHBondContact O-N 2.76Å; S115-K118 PolarHBondContact O-N 2.96Å; K118-G122 CarbonylContact O-C 3.57Å; K118-G122 PolarHBondContact O-N 3.15Å; K118-E123 HydrophobicContact CB-CB 4.13Å; K118-E123 HydrophobicContact CG-CB 3.9Å; K118-E123 PolarHBondContact O-N 2.64Å; K118-E123 VanDerWaalsContact O-N 3.09Å; K118-W124 HydrophobicContact CB-CB 4.36Å; K118-W124 PolarHBondContact O-N 3.48Å; K118-E127 IonicContact NZ-OE1 3.88Å; K118-E127 PolarHBondContact NZ-OE1 2.97Å; K118-E127 IonicContact NZ-OE2 2.77Å; K118-E127 PolarHBondContact NZ-OE2 3.48Å
119	V	76.3	Confident	69.3	Low	86 Å²	86	63.1 Å²	63.1	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-73.8	-44.7	171.7	166.6	0	0	0	0	110.6	S115 E116 L117 G122 W124	S115-V119 VanDerWaalsContact O-CG2 3.3Å; S115-V119 WeakPolarHBondContact O-CG2 3.49Å; S115-V119 PolarHBondContact O-N 2.73Å; E116-V119 PolarHBondContact O-N 2.78Å; L117-V119 PolarHBondContact O-N 2.79Å; V119-G122 PolarHBondContact O-N 3.2Å; V119-W124 HydrophobicContact CG2-CG 4.42Å
120	V	72.1	Confident	67.7	Low	52 Å²	52	63.3 Å²	63.3	32%	0.315	33%	0.327	S	S	.	.	H	α-helix	trans	-70.6	-35	-180	176.8	0	0	0	0	112.7	I42 L45 E116 L117	I42-V120 HydrophobicContact CD1-CG1 4.33Å; I42-V120 HydrophobicContact CG1-CG1 3.73Å; L45-V120 HydrophobicContact CD1-CB 4.43Å; L45-V120 HydrophobicContact CD1-CG1 4.4Å; L45-V120 HydrophobicContact CD1-CG2 4.13Å; E116-V120 WeakPolarHBondContact O-CG2 3.37Å; E116-V120 PolarHBondContact O-N 3.22Å; E116-V120 VanDerWaalsContact O-N 3.09Å; L117-V120 CarbonylContact O-C 3.57Å; L117-V120 PolarHBondContact O-N 3.2Å
121	T	69.6	Low	66.4	Low	51 Å²	51	70.1 Å²	70.1	31%	0.313	35%	0.352	S	S	.	.	S	Bend	trans	-85.8	-8.1	176.4	60.6	0	0	0	0	113.8	I42 L117 E123	I42-T121 HydrophobicContact CG2-CG2 4.41Å; L117-T121 HydrophobicContact CD1-CG2 3.93Å; L117-T121 HydrophobicContact CG-CG2 4.19Å; L117-T121 PolarHBondContact O-N 3.11Å; L117-T121 PolarHBondContact O-OG1 2.88Å; L117-T121 VanDerWaalsContact O-OG1 3.07Å; T121-E123 VanDerWaalsContact CB-OE1 3.27Å; T121-E123 WeakPolarHBondContact CB-OE1 3.17Å; T121-E123 PolarHBondContact O-N 2.69Å; T121-E123 WeakPolarHBondContact OG1-CG 3.39Å; T121-E123 PolarHBondContact OG1-OE1 2.85Å
122	G	67.1	Low	64.8	Low	31 Å²	31	77.9 Å²	77.9	32%	0.32	38%	0.38	S	S	.	.	S	Bend	trans	78.1	-5	-177.1	0	0	0	0	0	115.3	K118 V119 W124 F125	K118-G122 CarbonylContact O-C 3.57Å; K118-G122 PolarHBondContact O-N 3.15Å; V119-G122 PolarHBondContact O-N 3.2Å; G122-W124 PolarHBondContact O-N 3.35Å; G122-W124 VanDerWaalsContact O-N 3.1Å; G122-F125 WeakPolarHBondContact O-CB 3.39Å; G122-F125 PolarHBondContact O-N 2.66Å; G122-F125 VanDerWaalsContact O-N 3.13Å
123	E	66.4	Low	63.1	Low	71 Å²	71	82.4 Å²	82.4	33%	0.332	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.7	179.1	-74.6	163.9	-123.7	0	0	114	K118 T121 F125 L126 E127	K118-E123 HydrophobicContact CB-CB 4.13Å; K118-E123 HydrophobicContact CG-CB 3.9Å; K118-E123 PolarHBondContact O-N 2.64Å; K118-E123 VanDerWaalsContact O-N 3.09Å; T121-E123 VanDerWaalsContact CB-OE1 3.27Å; T121-E123 WeakPolarHBondContact CB-OE1 3.17Å; T121-E123 PolarHBondContact O-N 2.69Å; T121-E123 WeakPolarHBondContact OG1-CG 3.39Å; T121-E123 PolarHBondContact OG1-OE1 2.85Å; E123-F125 PolarHBondContact O-N 3.01Å; E123-F125 VanDerWaalsContact O-N 3.08Å; E123-L126 WeakPolarHBondContact O-CB 3.47Å; E123-L126 PolarHBondContact O-N 2.92Å; E123-E127 PolarHBondContact O-N 3.21Å
124	W	64.1	Low	61.4	Low	138 Å²	138	86.8 Å²	86.8	52%	0.523	42%	0.416	S	S	.	.	H	α-helix	trans	-53	-32.1	178.2	77.4	-85.5	0	0	0	113.1	K118 V119 G122 E128	K118-W124 HydrophobicContact CB-CB 4.36Å; K118-W124 PolarHBondContact O-N 3.48Å; V119-W124 HydrophobicContact CG2-CG 4.42Å; G122-W124 PolarHBondContact O-N 3.35Å; G122-W124 VanDerWaalsContact O-N 3.1Å; W124-E128 PolarHBondContact O-N 2.92Å
125	F	47.4	Very low	59.6	Low	131 Å²	131	92.7 Å²	92.7	58%	0.575	44%	0.442	S	S	*	.	H	α-helix	trans	-70.5	-31.7	179.3	178.8	-102	0	0	0	112.8	G122 E123	G122-F125 WeakPolarHBondContact O-CB 3.39Å; G122-F125 PolarHBondContact O-N 2.66Å; G122-F125 VanDerWaalsContact O-N 3.13Å; E123-F125 PolarHBondContact O-N 3.01Å; E123-F125 VanDerWaalsContact O-N 3.08Å
126	L	53.6	Low	57.8	Low	117 Å²	117	99 Å²	99	61%	0.613	46%	0.463	S	S	*	.	H	α-helix	trans	-78.2	-35.4	179.5	-64.6	170.8	0	0	0	111.5	E123 R129 S130	E123-L126 WeakPolarHBondContact O-CB 3.47Å; E123-L126 PolarHBondContact O-N 2.92Å; L126-R129 WeakPolarHBondContact O-CB 3.3Å; L126-R129 PolarHBondContact O-N 3.46Å; L126-S130 PolarHBondContact O-N 3.27Å
127	E	54.4	Low	55.9	Low	103 Å²	103	98 Å²	98	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-77.9	-37.3	-177.8	-169	168.6	-126	0	0	112.9	K118 E123 R129 S130 R131	K118-E127 IonicContact NZ-OE1 3.88Å; K118-E127 PolarHBondContact NZ-OE1 2.97Å; K118-E127 IonicContact NZ-OE2 2.77Å; K118-E127 PolarHBondContact NZ-OE2 3.48Å; E123-E127 PolarHBondContact O-N 3.21Å; E127-R129 PolarHBondContact O-N 2.91Å; E127-S130 PolarHBondContact O-N 2.92Å; E127-S130 PolarHBondContact O-OG 2.78Å; E127-R131 PolarHBondContact O-N 3.4Å
128	E	48.7	Very low	54.2	Low	50 Å²	50	104.3 Å²	104.3	23%	0.234	50%	0.502	C	S	.	.	H	α-helix	trans	-68.4	-18.8	171.8	178.9	55.4	-166.8	0	0	112.3	W124 R131 R132	W124-E128 PolarHBondContact O-N 2.92Å; E128-R131 IonicContact OE1-NH2 3.73Å; E128-R131 IonicContact OE2-CZ 3.58Å; E128-R131 VanDerWaalsContact OE2-CZ 3.25Å; E128-R131 IonicContact OE2-NE 3.03Å; E128-R131 PolarHBondContact OE2-NE 3.42Å; E128-R131 IonicContact OE2-NH2 3.28Å; E128-R131 PolarHBondContact OE2-NH2 3.47Å; E128-R132 WeakPolarHBondContact O-CG 3.25Å; E128-R132 IonicContact OE1-CZ 3.09Å; E128-R132 IonicContact OE1-NE 2.78Å; E128-R132 PolarHBondContact OE1-NE 2.98Å; E128-R132 IonicContact OE1-NH2 2.76Å; E128-R132 PolarHBondContact OE1-NH2 3.04Å
129	R	50.3	Low	52.7	Low	96 Å²	96	106.6 Å²	106.6	36%	0.362	52%	0.523	S	S	.	.	H	α-helix	trans	-72.1	-49.5	170.7	-171.7	-174.7	-178.9	92.1	1.1	111.6	L126 E127 R132 F133 M410	L126-R129 WeakPolarHBondContact O-CB 3.3Å; L126-R129 PolarHBondContact O-N 3.46Å; E127-R129 PolarHBondContact O-N 2.91Å; R129-R132 PolarHBondContact O-N 2.96Å; R129-F133 HydrophobicContact CG-CE2 4.15Å; R129-F133 VanDerWaalsContact O-CD2 3.26Å; R129-F133 WeakPolarHBondContact O-CD2 3.48Å; R129-M410 PolarHBondContact NH1-SD 2.84Å
130	S	48.5	Very low	51	Low	64 Å²	64	104.7 Å²	104.7	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-43.1	-176.2	56.7	0	0	0	0	112.4	L126 E127 R132 F133 E134	L126-S130 PolarHBondContact O-N 3.27Å; E127-S130 PolarHBondContact O-N 2.92Å; E127-S130 PolarHBondContact O-OG 2.78Å; S130-R132 PolarHBondContact O-N 3.22Å; S130-F133 PolarHBondContact O-N 3.29Å; S130-E134 PolarHBondContact O-N 2.85Å
131	R	54.1	Low	49.6	Very low	159 Å²	159	106.3 Å²	106.3	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-56.4	-26.4	-179.7	-166.8	171.1	70.1	130.4	1.6	114.1	E127 E128	E127-R131 PolarHBondContact O-N 3.4Å; E128-R131 IonicContact OE1-NH2 3.73Å; E128-R131 IonicContact OE2-CZ 3.58Å; E128-R131 VanDerWaalsContact OE2-CZ 3.25Å; E128-R131 IonicContact OE2-NE 3.03Å; E128-R131 PolarHBondContact OE2-NE 3.42Å; E128-R131 IonicContact OE2-NH2 3.28Å; E128-R131 PolarHBondContact OE2-NH2 3.47Å
132	R	48.5	Very low	48.4	Very low	168 Å²	168	108.4 Å²	108.4	63%	0.634	53%	0.533	S	S	*	.	H	α-helix	trans	-81	-15.4	177.9	-67	178	-174.8	-155.8	2	114.1	E128 R129 S130	E128-R132 WeakPolarHBondContact O-CG 3.25Å; E128-R132 IonicContact OE1-CZ 3.09Å; E128-R132 IonicContact OE1-NE 2.78Å; E128-R132 PolarHBondContact OE1-NE 2.98Å; E128-R132 IonicContact OE1-NH2 2.76Å; E128-R132 PolarHBondContact OE1-NH2 3.04Å; R129-R132 PolarHBondContact O-N 2.96Å; S130-R132 PolarHBondContact O-N 3.22Å
133	F	45.3	Very low	47.3	Very low	126 Å²	126	111.9 Å²	111.9	55%	0.553	54%	0.543	S	S	*	.	H	α-helix	trans	-92.9	-36.4	176.9	-73.1	-78.1	0	0	0	112.9	R129 S130 Q135 K136	R129-F133 HydrophobicContact CG-CE2 4.15Å; R129-F133 VanDerWaalsContact O-CD2 3.26Å; R129-F133 WeakPolarHBondContact O-CD2 3.48Å; S130-F133 PolarHBondContact O-N 3.29Å; F133-Q135 PolarHBondContact O-N 2.92Å; F133-K136 PolarHBondContact O-N 3.34Å
134	E	41	Very low	46	Very low	146 Å²	146	114 Å²	114	68%	0.682	55%	0.551	S	S	*	*	H	α-helix	trans	-56.9	-36.1	178.2	-65.7	-174	136.8	0	0	112.6	S130 K136 A137	S130-E134 PolarHBondContact O-N 2.85Å; E134-K136 PolarHBondContact O-N 3.4Å; E134-A137 WeakPolarHBondContact O-CB 3.32Å; E134-A137 PolarHBondContact O-N 2.93Å
135	Q	40.9	Very low	44.7	Very low	171 Å²	171	114.2 Å²	114.2	80%	0.799	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-10.9	-176.9	-135.9	175.4	12.3	0	0	114.5	F133	F133-Q135 PolarHBondContact O-N 2.92Å
136	K	39.1	Very low	44.3	Very low	181 Å²	181	112.8 Å²	112.8	79%	0.787	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-14.4	172.3	-90	-173.5	171.6	-176	0	114.6	F133 E134 L138	F133-K136 PolarHBondContact O-N 3.34Å; E134-K136 PolarHBondContact O-N 3.4Å; K136-L138 PolarHBondContact O-N 3.18Å
137	A	37.5	Very low	43.9	Very low	59 Å²	59	113.3 Å²	113.3	49%	0.488	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-65.9	-35.1	-171	0	0	0	0	0	113.7	E134 S139 S140	E134-A137 WeakPolarHBondContact O-CB 3.32Å; E134-A137 PolarHBondContact O-N 2.93Å; A137-S139 PolarHBondContact O-N 3.49Å; A137-S140 PolarHBondContact O-N 3.49Å; A137-S140 VanDerWaalsContact O-N 3.14Å
138	L	40.6	Very low	43.2	Very low	152 Å²	152	115.5 Å²	115.5	80%	0.796	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-61.3	-14.6	-172.3	-72.5	166.8	0	0	0	115.4	K136	K136-L138 PolarHBondContact O-N 3.18Å
139	S	40.8	Very low	42.4	Very low	87 Å²	87	117.8 Å²	117.8	61%	0.608	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-87.2	-13.1	179.1	-166.7	0	0	0	0	114.5	A137	A137-S139 PolarHBondContact O-N 3.49Å
140	S	40.4	Very low	41.5	Very low	46 Å²	46	117.1 Å²	117.1	32%	0.322	61%	0.613	S	S	.	*	H	α-helix	trans	-71.1	-48	-177.8	153.9	0	0	0	0	112.2	A137 V142 I143 K144	A137-S140 PolarHBondContact O-N 3.49Å; A137-S140 VanDerWaalsContact O-N 3.14Å; S140-V142 PolarHBondContact O-N 2.83Å; S140-I143 WeakPolarHBondContact O-CB 3.37Å; S140-I143 PolarHBondContact O-N 3.07Å; S140-K144 PolarHBondContact O-N 2.59Å; S140-K144 WeakPolarHBondContact OG-CE 3.37Å; S140-K144 PolarHBondContact OG-NZ 2.88Å
141	D	42.9	Very low	40.7	Very low	86 Å²	86	119.9 Å²	119.9	46%	0.46	63%	0.629	S	S	.	*	H	α-helix	trans	-85.6	-19.6	-156.9	-56.6	-32.2	0	0	0	113	I143 K144 Q145	D141-I143 VanDerWaalsContact C-N 3.31Å; D141-I143 PolarHBondContact O-N 2.85Å; D141-K144 PolarHBondContact O-N 3.25Å; D141-K144 IonicContact OD1-NZ 3.84Å; D141-K144 PolarHBondContact OD1-NZ 3.46Å; D141-Q145 PolarHBondContact O-N 2.86Å
142	V	45.3	Very low	39.9	Very low	95 Å²	95	118.5 Å²	118.5	58%	0.576	64%	0.641	S	S	*	*	H	α-helix	trans	-61.6	-39	167.3	-175.6	0	0	0	0	111.2	S140 T146	S140-V142 PolarHBondContact O-N 2.83Å; V142-T146 PolarHBondContact O-N 3Å; V142-T146 PolarHBondContact O-OG1 3.47Å
143	I	43.7	Very low	38.9	Very low	103 Å²	103	116.2 Å²	116.2	53%	0.528	65%	0.65	S	S	.	*	H	α-helix	trans	-69.1	-42.5	178.1	-57.5	175.3	0	0	0	109.9	S140 D141 T146 I147	S140-I143 WeakPolarHBondContact O-CB 3.37Å; S140-I143 PolarHBondContact O-N 3.07Å; D141-I143 VanDerWaalsContact C-N 3.31Å; D141-I143 PolarHBondContact O-N 2.85Å; I143-T146 WeakPolarHBondContact O-CB 3.23Å; I143-T146 PolarHBondContact O-N 2.92Å; I143-I147 HydrophobicContact CG2-CD1 4.13Å; I143-I147 WeakPolarHBondContact O-CG1 3.5Å; I143-I147 PolarHBondContact O-N 3.21Å
144	K	37.9	Very low	38.2	Very low	116 Å²	116	114.6 Å²	114.6	50%	0.504	66%	0.661	S	S	.	*	H	α-helix	trans	-62.4	-43.8	177.1	-64.3	176	-170.3	157.6	0	112.5	S140 D141 T146 I147 L148	S140-K144 PolarHBondContact O-N 2.59Å; S140-K144 WeakPolarHBondContact OG-CE 3.37Å; S140-K144 PolarHBondContact OG-NZ 2.88Å; D141-K144 PolarHBondContact O-N 3.25Å; D141-K144 IonicContact OD1-NZ 3.84Å; D141-K144 PolarHBondContact OD1-NZ 3.46Å; K144-T146 VanDerWaalsContact C-N 3.27Å; K144-T146 PolarHBondContact O-N 2.91Å; K144-I147 PolarHBondContact O-N 2.82Å; K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 2.84Å
145	Q	38.4	Very low	37.6	Very low	142 Å²	142	115 Å²	115	66%	0.664	66%	0.662	S	S	*	*	H	α-helix	trans	-62.4	-34.8	175.8	-75.5	-176	-32	0	0	112.5	D141 S149	D141-Q145 PolarHBondContact O-N 2.86Å; Q145-S149 PolarHBondContact O-OG 3.18Å
146	T	39.2	Very low	36.9	Very low	101 Å²	101	115.9 Å²	115.9	62%	0.62	66%	0.664	S	S	*	*	H	α-helix	trans	-65.9	-39.1	177.9	-54.6	0	0	0	0	111.8	V142 I143 K144	V142-T146 PolarHBondContact O-N 3Å; V142-T146 PolarHBondContact O-OG1 3.47Å; I143-T146 WeakPolarHBondContact O-CB 3.23Å; I143-T146 PolarHBondContact O-N 2.92Å; K144-T146 VanDerWaalsContact C-N 3.27Å; K144-T146 PolarHBondContact O-N 2.91Å
147	I	44.6	Very low	36.4	Very low	129 Å²	129	116.4 Å²	116.4	66%	0.662	67%	0.666	S	S	*	*	H	α-helix	trans	-72.1	-35	-179.5	-65.7	166	0	0	0	112.1	I143 K144 S149	I143-I147 HydrophobicContact CG2-CD1 4.13Å; I143-I147 WeakPolarHBondContact O-CG1 3.5Å; I143-I147 PolarHBondContact O-N 3.21Å; K144-I147 PolarHBondContact O-N 2.82Å; I147-S149 PolarHBondContact O-N 2.85Å
148	L	40.3	Very low	35.8	Very low	149 Å²	149	119.4 Å²	119.4	78%	0.78	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	2.1	-177.3	-68.5	169.1	0	0	0	114.9	K144	K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 2.84Å
149	S	31.4	Very low	35.1	Very low	97 Å²	97	118.1 Å²	118.1	68%	0.678	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	10.2	-169.1	-60.6	0	0	0	0	115.4	Q145 I147	Q145-S149 PolarHBondContact O-OG 3.18Å; I147-S149 PolarHBondContact O-N 2.85Å
150	A	31.3	Very low	34.4	Very low	82 Å²	82	123.1 Å²	123.1	68%	0.678	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-97.6	130	-178.4	0	0	0	0	0	112.4
151	P	31.8	Very low	33.7	Very low	122 Å²	122	127.5 Å²	127.5	79%	0.792	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-81.4	147.2	-178.5	32.5	-34.9	0	0	0	112.9
152	P	36.9	Very low	33	Very low	130 Å²	130	130.9 Å²	130.9	84%	0.844	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-87	142.8	-179.7	34	-34.4	0	0	0	113.1
153	S	28	Very low	32	Very low	120 Å²	120	131.2 Å²	131.2	84%	0.839	74%	0.739	S	S	*	*			trans	-109.4	111.8	166.8	59.6	0	0	0	0	111
154	A	30.2	Very low	31.1	Very low	93 Å²	93	130.4 Å²	130.4	77%	0.769	75%	0.748	S	S	*	*			trans	-74.3	168.7	163	0	0	0	0	0	109.4
155	E	28.6	Very low	30.4	Very low	153 Å²	153	129.6 Å²	129.6	72%	0.715	76%	0.757	S	S	*	*			cis	-164.7	154.9	4.9	-155.2	-167.1	-123.4	0	0	108.4
156	K	26.9	Very low	29.8	Very low	191 Å²	191	127.5 Å²	127.5	83%	0.83	76%	0.758	S	S	*	*				174.2	152.3	119.1	-96.1	162.6	-174.3	176.9	0	114.5
157	K	27.9	Very low	29.1	Very low	192 Å²	192	129.2 Å²	129.2	84%	0.835	76%	0.763	S	S	*	*			trans	-88.5	154.9	176.7	-57.8	166.9	179.2	171.5	0	111.4
158	S	24.8	Very low	28.3	Very low	121 Å²	121	129.5 Å²	129.5	85%	0.846	77%	0.765	S	S	*	*			trans	-146.8	143.9	133	48.9	0	0	0	0	109.7
159	T	26.5	Very low	27.6	Very low	126 Å²	126	131.2 Å²	131.2	77%	0.773	77%	0.769	S	S	*	*			trans	-96.8	143.3	-180	-43.9	0	0	0	0	109.1
160	E	24.9	Very low	27.3	Very low	191 Å²	191	135.8 Å²	135.8	89%	0.893	78%	0.777	S	S	*	*			trans	-121	152.4	157	-76.1	-166.5	143.4	0	0	110.2
161	N	25.9	Very low	27.9	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	77%	0.774	S	S	*	*			trans	-151.2	124.2	-171.4	-156.3	24.6	0	0	0	107.1
162	L	29.1	Very low	27.6	Very low	157 Å²	157	137.5 Å²	137.5	82%	0.822	77%	0.773	S	S	*	*			trans	68.5	149.6	-179.8	-49.4	171.4	0	0	0	114.8
163	S	24.4	Very low	27.2	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	77%	0.769	S	S	*	*			cis	-171.8	159.4	-19	50.4	0	0	0	0	111.5
164	A	24.2	Very low	27.9	Very low	85 Å²	85	135.8 Å²	135.8	70%	0.702	76%	0.757	S	S	*	*			trans	79.8	124.7	148.7	0	0	0	0	0	121.3
165	S	23	Very low	27.7	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	76%	0.762	S	S	*	*			trans	66.2	134.9	131.1	62.6	0	0	0	0	123.2
166	S	25.1	Very low	27.5	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	77%	0.765	S	S	*	*			trans	66.5	141.2	139.3	60	0	0	0	0	119.1
167	D	25.2	Very low	27.6	Very low	137 Å²	137	137.1 Å²	137.1	73%	0.733	77%	0.765	S	S	*	*			cis	-162.5	175.8	-11.2	-123.6	-51.4	0	0	0	112
168	L	27.6	Very low	27.6	Very low	136 Å²	136	140 Å²	140	71%	0.712	77%	0.771	S	S	*	*			trans	53.4	125.4	149.1	-69.6	163.5	0	0	0	122
169	E	24.9	Very low	27.9	Very low	184 Å²	184	139.7 Å²	139.7	86%	0.86	77%	0.768	S	S	*	*			trans	98.5	154.1	131	-80.9	-174.4	158.9	0	0	124.2
170	K	25.8	Very low	28	Very low	193 Å²	193	138 Å²	138	84%	0.839	77%	0.767	S	S	*	*			trans	-124.4	-176.2	-169.4	-118.5	-179.5	-177.1	179.2	0	105.6
171	P	44.5	Very low	28.2	Very low	95 Å²	95	135.3 Å²	135.3	62%	0.617	76%	0.763	S	S	*	*			cis	-134.8	-163.8	-12.5	26.9	-1.9	0	0	0	112.9
172	D	25.6	Very low	28.3	Very low	145 Å²	145	139 Å²	139	78%	0.775	77%	0.767	S	S	*	*			trans	88.9	167.7	141.5	-78.4	-35.6	0	0	0	122.8
173	T	27.3	Very low	28.2	Very low	122 Å²	122	138.1 Å²	138.1	75%	0.748	76%	0.763	S	S	*	*			trans	-127.2	-164.6	-154.4	65.5	0	0	0	0	109.2
174	P	42.7	Very low	28.3	Very low	93 Å²	93	141 Å²	141	60%	0.604	77%	0.768	S	S	*	*			cis	-140.3	179.3	-6.3	38.7	-18.5	0	0	0	116.9
175	K	26.3	Very low	28.7	Very low	200 Å²	200	144.3 Å²	144.3	87%	0.87	77%	0.771	S	S	*	*			trans	54.9	124.9	149.5	-69.4	158	-173.9	174.4	0	120.5
176	S	25.8	Very low	28.9	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	78%	0.78	S	S	*	*				158.7	124.3	106.6	-169	0	0	0	0	115.6
177	N	28.6	Very low	28.9	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	77%	0.774	S	S	*	*			trans	-8.9	118.4	156.6	-54.8	-25.6	0	0	0	120.5
178	R	28.3	Very low	29.2	Very low	254 Å²	254	143.2 Å²	143.2	96%	0.958	78%	0.775	S	S	*	*				-166.5	160.5	112	-122.6	176.6	174.8	161.5	-1.1	114
179	S	30.6	Very low	29.3	Very low	114 Å²	114	147.7 Å²	147.7	80%	0.797	78%	0.782	S	S	*	*			trans	-108.5	129.4	-175.9	56.6	0	0	0	0	113.6
180	A	29	Very low	29.7	Very low	90 Å²	90	147.6 Å²	147.6	74%	0.744	78%	0.779	S	S	*	*			trans	-147.2	111.2	158.9	0	0	0	0	0	107.7
181	V	29	Very low	29.9	Very low	134 Å²	134	148.4 Å²	148.4	81%	0.812	78%	0.783	S	S	*	*				55.5	85.9	88	-177.7	0	0	0	0	110.7
182	R	27	Very low	29.1	Very low	217 Å²	217	147.4 Å²	147.4	82%	0.819	79%	0.79	S	S	*	*				86.1	110.2	68.8	-83.2	-171.2	166	168.8	-2.9	115.6
183	N	27.7	Very low	29.4	Very low	139 Å²	139	151.4 Å²	151.4	74%	0.743	79%	0.794	S	S	*	*			trans	81.8	161.4	137.9	-59	11.2	0	0	0	120.1
184	I	27.2	Very low	29.5	Very low	162 Å²	162	151.9 Å²	151.9	83%	0.831	79%	0.789	S	S	*	*			trans	84.9	129.7	172.7	-55.5	174.7	0	0	0	113.4
185	M	31.7	Very low	28.9	Very low	154 Å²	154	155.8 Å²	155.8	76%	0.759	80%	0.797	S	S	*	*			cis	128.4	132.8	-8.5	170.9	-170.8	142.6	0	0	110.6
186	D	26.1	Very low	29.1	Very low	167 Å²	167	154 Å²	154	89%	0.893	79%	0.793	S	S	*	*			trans	-147.3	140.9	156.7	-112.9	-39.5	0	0	0	110.6
187	G	27.1	Very low	29.2	Very low	53 Å²	53	152.1 Å²	152.1	55%	0.546	79%	0.792	S	S	.	*			cis	165.2	142.1	-12.4	0	0	0	0	0	114.5
188	A	30.6	Very low	29.5	Very low	91 Å²	91	153.8 Å²	153.8	75%	0.752	79%	0.792	S	S	*	*			trans	-164	100.3	162.6	0	0	0	0	0	115.8
189	R	30.5	Very low	29.6	Very low	230 Å²	230	151.7 Å²	151.7	87%	0.868	79%	0.789	S	S	*	*			trans	69.2	114.6	137.7	-63.7	-178.7	170.1	-168.4	-3.4	123.5
190	K	32.7	Very low	29.4	Very low	182 Å²	182	149.9 Å²	149.9	79%	0.791	79%	0.789	S	S	*	*			trans	86.7	109.5	133.4	-71.2	-177.8	175	-179	0	122.9
191	K	29.7	Very low	29.5	Very low	210 Å²	210	151.3 Å²	151.3	91%	0.913	79%	0.793	S	S	*	*			trans	39.9	133.6	130.2	-55.1	-177.1	178.8	-174.7	0	120.7
192	G	28.6	Very low	29.4	Very low	74 Å²	74	156.6 Å²	156.6	76%	0.763	80%	0.799	S	S	*	*			cis	137.5	160	-10.4	0	0	0	0	0	116
193	R	31.1	Very low	29.4	Very low	229 Å²	229	151 Å²	151	86%	0.864	80%	0.799	S	S	*	*			trans	79.6	141.7	165.1	-158.9	165.6	-176.1	-156.8	2.9	115.8
194	M	29.8	Very low	29.6	Very low	132 Å²	132	150.7 Å²	150.7	65%	0.65	80%	0.802	S	S	*	*			cis	-160.2	157.2	3.5	-136.1	8.5	154.6	0	0	113.2
195	K	30.1	Very low	30.2	Very low	176 Å²	176	149 Å²	149	77%	0.765	80%	0.802	S	S	*	*			trans	47.1	151.7	142.2	-87.4	-176.4	178.1	-175.8	0	122.4
196	M	30.3	Very low	30.2	Very low	162 Å²	162	151 Å²	151	80%	0.798	81%	0.806	S	S	*	*			cis	-164.9	143.1	-5.9	-161.9	-145.9	-49.8	0	0	113.1
197	G	27.9	Very low	31.6	Very low	72 Å²	72	149.1 Å²	149.1	74%	0.742	80%	0.803	S	S	*	*			trans	79.5	170.4	147.3	0	0	0	0	0	120.5
198	K	33.6	Very low	31.5	Very low	187 Å²	187	150.1 Å²	150.1	81%	0.813	81%	0.813	S	S	*	*			cis	-172.5	126.4	-21.9	-172.5	-180	-175.6	-179.7	0	112.7
199	K	30.3	Very low	31.6	Very low	210 Å²	210	154.3 Å²	154.3	91%	0.913	82%	0.823	S	S	*	*			trans	58.4	150.8	162.1	-92.2	-169.7	171	-171.1	0	120.6
200	G	27.2	Very low	31.4	Very low	76 Å²	76	146.5 Å²	146.5	78%	0.784	81%	0.814	S	S	*	*			trans	157.2	132.1	157	0	0	0	0	0	114.5
201	S	30.7	Very low	31.4	Very low	120 Å²	120	144.6 Å²	144.6	84%	0.839	82%	0.818	S	S	*	*			trans	-130.7	143	-170.7	-54.2	0	0	0	0	114.9
202	R	27.9	Very low	31.4	Very low	245 Å²	245	142.5 Å²	142.5	93%	0.925	82%	0.816	S	S	*	*			trans	56.2	120.3	142.8	-172.9	-173.3	-169.6	178	4.4	120.5
203	A	27	Very low	31.5	Very low	99 Å²	99	144.1 Å²	144.1	82%	0.818	82%	0.816	S	S	*	*				171.5	162.4	129.8	0	0	0	0	0	114.6
204	T	31.7	Very low	31.4	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	82%	0.817	S	S	*	*			trans	-114.1	164.4	165.4	48.4	0	0	0	0	108.3
205	P	40.2	Very low	31.4	Very low	127 Å²	127	139 Å²	139	83%	0.825	82%	0.822	S	S	*	*				-155.3	-156.7	51.9	44.1	-19.3	0	0	0	117.9
206	K	31.1	Very low	31.3	Very low	195 Å²	195	136.6 Å²	136.6	85%	0.848	82%	0.822	S	S	*	*			trans	-59.9	-178.6	172.4	-86.4	-177.2	177.1	-176.8	0	115.9
207	P	56.3	Low	31.2	Very low	129 Å²	129	137.4 Å²	137.4	84%	0.838	82%	0.821	S	S	*	*			cis	-136.4	-165.3	-25.7	35.3	-14.4	0	0	0	113.7
208	G	25	Very low	31.2	Very low	73 Å²	73	138.8 Å²	138.8	75%	0.753	82%	0.819	S	S	*	*			trans	-170.5	158.3	167.2	0	0	0	0	0	115.5
209	N	31.3	Very low	30.8	Very low	180 Å²	180	135.3 Å²	135.3	96%	0.963	82%	0.818	S	S	*	*			trans	-123.3	162.3	-175.8	-77.9	-8.6	0	0	0	113.1
210	G	26.3	Very low	30.7	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	81%	0.806	S	S	*	*			trans	158.6	95.9	162.8	0	0	0	0	0	112.6
211	V	34.2	Very low	30.8	Very low	142 Å²	142	133.6 Å²	133.6	86%	0.861	81%	0.809	S	S	*	*				35.3	127.5	96	-54.9	0	0	0	0	117.8
212	D	27.9	Very low	30.7	Very low	166 Å²	166	131.5 Å²	131.5	89%	0.888	81%	0.806	S	S	*	*				-165.9	164.3	127.8	-116.1	-26.3	0	0	0	112.1
213	S	31.6	Very low	31.1	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	80%	0.803	S	S	*	*			trans	-156.5	142.7	-173.5	62.2	0	0	0	0	114.5
214	V	28.7	Very low	31.6	Very low	145 Å²	145	128.5 Å²	128.5	88%	0.879	80%	0.799	S	S	*	*			trans	-158.2	160.1	162.8	122	0	0	0	0	111.3
215	S	30.1	Very low	31.6	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	80%	0.799	S	S	*	*			trans	-136	159.1	-175.2	-49.1	0	0	0	0	113.2
216	T	28	Very low	31.2	Very low	125 Å²	125	129.1 Å²	129.1	77%	0.767	79%	0.793	S	S	*	*			trans	167.3	153.3	155.7	32.4	0	0	0	0	108.6
217	K	28.4	Very low	31.2	Very low	180 Å²	180	125.4 Å²	125.4	78%	0.783	79%	0.786	S	S	*	*			cis	-164.8	160.7	-5.5	-118.7	172.1	-175.5	-179.3	0	109.9
218	S	27	Very low	30	Very low	101 Å²	101	130.1 Å²	130.1	71%	0.706	79%	0.787	S	S	*	*			trans	54.7	135.6	156.1	47.4	0	0	0	0	120.1
219	S	25.5	Very low	30.2	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	79%	0.785	S	S	*	*			cis	72.1	137.7	43.8	78.8	0	0	0	0	114.4
220	S	29.5	Very low	30.1	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	78%	0.778	S	S	*	*			cis	-156.4	173.7	14	-154.3	0	0	0	0	114.5
221	D	27.6	Very low	30.2	Very low	156 Å²	156	134.2 Å²	134.2	83%	0.834	79%	0.791	S	S	*	*			trans	75.3	157.4	157.4	-44.5	-31.7	0	0	0	118.9
222	G	29.3	Very low	29.9	Very low	76 Å²	76	132.3 Å²	132.3	78%	0.784	78%	0.784	S	S	*	*			cis	-170	-170.2	1.3	0	0	0	0	0	116.3
223	D	35.7	Very low	29.9	Very low	160 Å²	160	132.6 Å²	132.6	86%	0.856	78%	0.78	S	S	*	*			trans	-89.6	173	-171.6	-85.4	-38.4	0	0	0	116.2
224	T	38.3	Very low	29.7	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	78%	0.778	S	S	*	*			cis	-151.6	173.4	8	9.2	0	0	0	0	109.5
225	Q	32	Very low	29.7	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.813	76%	0.764	S	S	*	*				-163	144.8	53.7	-78.8	-170.5	-0.2	0	0	114.6
226	S	31.2	Very low	29.6	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	77%	0.767	S	S	*	*			trans	55.1	148.4	134.1	-133.5	0	0	0	0	121.7
227	V	32.2	Very low	29.5	Very low	116 Å²	116	138.7 Å²	138.7	70%	0.703	77%	0.771	S	S	*	*			cis	-149.2	143.2	23.4	-147.6	0	0	0	0	112.7
228	R	30.7	Very low	29.5	Very low	229 Å²	229	135.2 Å²	135.2	86%	0.864	77%	0.769	S	S	*	*			trans	23	149.1	145.1	-68	172.5	-171.9	177.3	1.8	121.5
229	S	29.3	Very low	29.6	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	77%	0.772	S	S	*	*			cis	-158.2	138	1.9	-94.6	0	0	0	0	107.5
230	A	29.6	Very low	29.8	Very low	98 Å²	98	134 Å²	134	81%	0.81	77%	0.772	S	S	*	*				78.9	111	63.7	0	0	0	0	0	115.5
231	Q	26.7	Very low	29.8	Very low	204 Å²	204	136.6 Å²	136.6	95%	0.953	78%	0.784	S	S	*	*			trans	-152.2	144.6	156	-161.4	171.2	20.7	0	0	109.8
232	S	28.1	Very low	29.9	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	78%	0.782	S	S	*	*			trans	-143.2	136.4	-166.9	56	0	0	0	0	114.3
233	Q	29.5	Very low	30.1	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	79%	0.786	S	S	*	*			trans	19.4	159.8	149.7	-57	-178.2	-51.3	0	0	123.9
234	H	27.2	Very low	29.7	Very low	153 Å²	153	138.7 Å²	138.7	71%	0.708	78%	0.784	S	S	*	*			trans	100.4	86.7	148.3	-80.1	-70.5	0	0	0	122.2
235	S	27.7	Very low	29.2	Very low	84 Å²	84	137 Å²	137	59%	0.587	78%	0.777	S	S	*	*				80.1	146.8	118.4	69.6	0	0	0	0	123.4
236	N	27.6	Very low	29.2	Very low	152 Å²	152	134.5 Å²	134.5	81%	0.813	78%	0.779	S	S	*	*			trans	70.9	127	157.3	-60.6	-21.3	0	0	0	116.9
237	R	27.2	Very low	28.9	Very low	226 Å²	226	133.6 Å²	133.6	85%	0.853	79%	0.785	S	S	*	*			cis	179.8	148.8	26.6	-165.8	-174.3	-176.7	173.1	-0.6	109.8
238	S	28.1	Very low	29	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	80%	0.795	S	S	*	*			trans	61.7	144.5	156.7	37.6	0	0	0	0	120.2
239	A	28.9	Very low	29.6	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	79%	0.788	S	S	*	*			cis	-160.8	157	-5.9	0	0	0	0	0	113.2
240	A	29.4	Very low	29.5	Very low	97 Å²	97	131.4 Å²	131.4	80%	0.802	79%	0.788	S	S	*	*			trans	62.7	148.8	158.8	0	0	0	0	0	118.5
241	V	30.6	Very low	29.6	Very low	148 Å²	148	132.8 Å²	132.8	90%	0.897	79%	0.786	S	S	*	*			cis	-113.9	174.7	6.2	-73.6	0	0	0	0	112.8
242	A	28.5	Very low	30.7	Very low	97 Å²	97	127.8 Å²	127.8	80%	0.802	77%	0.772	S	S	*	*			trans	-95.3	164.5	-154.9	0	0	0	0	0	117.1
243	L	34.2	Very low	30.9	Very low	167 Å²	167	128.9 Å²	128.9	87%	0.874	77%	0.769	S	S	*	*			trans	-115.6	-169.8	156.9	-149	85.6	0	0	0	108.2
244	E	27.2	Very low	31	Very low	173 Å²	173	127 Å²	127	81%	0.808	77%	0.765	S	S	*	*			trans	80.4	154.2	177.4	-59.3	-133	79.4	0	0	117.5
245	S	27.9	Very low	31.5	Very low	84 Å²	84	126.1 Å²	126.1	59%	0.587	76%	0.764	S	S	*	*			cis	-166.2	154.3	-28.4	-95.1	0	0	0	0	110.7
246	S	31.1	Very low	31.7	Very low	122 Å²	122	132.6 Å²	132.6	85%	0.853	78%	0.776	S	S	*	*			trans	25.4	129	154.9	61.7	0	0	0	0	122.7
247	G	25.3	Very low	31.8	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	77%	0.774	S	S	*	*			trans	-174.5	116.4	160.8	0	0	0	0	0	117.3
248	L	34.7	Very low	32	Very low	174 Å²	174	128.4 Å²	128.4	91%	0.911	77%	0.773	S	S	*	*			trans	-104.9	178.4	159.5	-77.6	166.4	0	0	0	108
249	P	43.6	Very low	32.1	Very low	109 Å²	109	129 Å²	129	71%	0.708	77%	0.773	S	S	*	*			cis	-144.9	-158.3	15.6	39.8	-16	0	0	0	116.5
250	T	26.4	Very low	32.9	Very low	117 Å²	117	130 Å²	130	72%	0.718	77%	0.771	S	S	*	*			trans	91.2	130.3	160.7	-12.6	0	0	0	0	117.4
251	V	32.4	Very low	32.8	Very low	128 Å²	128	132.6 Å²	132.6	78%	0.776	77%	0.772	S	S	*	*			cis	92.5	151.4	10.8	-177	0	0	0	0	114.3
252	P	48.8	Very low	32.6	Very low	99 Å²	99	135.5 Å²	135.5	64%	0.643	77%	0.772	S	S	*	*			cis	-129.2	-166.7	-11	35.6	-14.7	0	0	0	117
253	N	32	Very low	32.6	Very low	125 Å²	125	135.8 Å²	135.8	67%	0.668	77%	0.768	S	S	*	*			trans	81.9	148.2	148.4	-78.3	-2.8	0	0	0	120.5
254	N	32.7	Very low	33	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	76%	0.762	S	S	*	*			cis	-132.3	142.5	10.9	-79.7	-64.6	0	0	0	111.3
255	L	37.5	Very low	33.3	Very low	134 Å²	134	132.4 Å²	132.4	70%	0.702	76%	0.763	S	S	*	*				63	144.6	80.9	-89.1	81.1	0	0	0	115.2
256	R	31.3	Very low	33.7	Very low	221 Å²	221	134.6 Å²	134.6	83%	0.834	78%	0.775	S	S	*	*			cis	-172.6	165.1	11.7	154.8	-174.3	-97.7	-157.7	-4.9	107.2
257	S	29.9	Very low	33.7	Very low	109 Å²	109	134 Å²	134	76%	0.762	77%	0.771	S	S	*	*			cis	-155.6	-176	11.6	31.9	0	0	0	0	112.5
258	Q	31.6	Very low	33.8	Very low	180 Å²	180	137.2 Å²	137.2	84%	0.841	77%	0.769	S	S	*	*			trans	-87.2	-172.2	162.9	-58.1	165.1	-20.9	0	0	111.1
259	T	29.3	Very low	33.5	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	76%	0.757	S	S	*	*			cis	-146.9	-155.7	15.1	58.5	0	0	0	0	109
260	P	46.2	Very low	32.7	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	76%	0.761	S	S	*	*			cis	-134.2	-165.3	-16.9	41.2	-20.7	0	0	0	116.1
261	D	27.7	Very low	32.8	Very low	153 Å²	153	145 Å²	145	82%	0.818	77%	0.768	S	S	*	*			trans	-51.3	159.6	-176.3	-54.4	-71.8	0	0	0	120.8
262	K	26.9	Very low	32.7	Very low	208 Å²	208	145.7 Å²	145.7	90%	0.904	77%	0.773	S	S	*	*				148.8	157.4	102.3	-144.9	163.9	-169.9	171.6	0	114.5
263	S	28.4	Very low	32	Very low	103 Å²	103	151.6 Å²	151.6	72%	0.72	78%	0.782	S	S	*	*			trans	-101.8	176	178.3	65.1	0	0	0	0	112.3
264	P	41.9	Very low	32.9	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	78%	0.78	S	S	*	*				-150.5	171.1	78.8	42.3	-24.3	0	0	0	117.1
265	N	32.7	Very low	32.7	Very low	155 Å²	155	151.2 Å²	151.2	83%	0.829	79%	0.785	S	S	*	*			trans	-76.2	166.5	156.2	-75	-26.2	0	0	0	110.4
266	P	37.5	Very low	32.2	Very low	129 Å²	129	148 Å²	148	84%	0.838	78%	0.784	S	S	*	*				-137.6	161.2	110.2	38.3	-29	0	0	0	114.7
267	S	30.4	Very low	32.3	Very low	110 Å²	110	141.8 Å²	141.8	77%	0.769	78%	0.78	S	S	*	*			trans	-85.3	153	173.6	50.1	0	0	0	0	112.3
268	N	28	Very low	32.3	Very low	149 Å²	149	144.9 Å²	144.9	80%	0.797	78%	0.783	S	S	*	*			trans	-156.9	165.6	133.4	-128.9	-32.4	0	0	0	116.9
269	N	27.4	Very low	32.3	Very low	121 Å²	121	140.9 Å²	140.9	65%	0.647	77%	0.774	S	S	*	*			trans	-60.8	156.5	-170.8	-85.4	-83.5	0	0	0	119
270	R	27	Very low	32.4	Very low	213 Å²	213	142 Å²	142	80%	0.804	78%	0.781	S	S	*	*			trans	44.2	117.4	133.3	-64.8	177.8	173.7	-169.2	-1.6	120.3
271	R	29.6	Very low	31.6	Very low	228 Å²	228	141.3 Å²	141.3	86%	0.86	79%	0.785	S	S	*	*				39	109.7	107	-179.4	-150.1	-67.7	-155.6	-2.2	116.5
272	V	29.5	Very low	31.8	Very low	144 Å²	144	139.8 Å²	139.8	87%	0.873	79%	0.786	S	S	*	*			trans	-161.6	152.8	133	129.8	0	0	0	0	110.7
273	R	35.3	Very low	31.8	Very low	223 Å²	223	137 Å²	137	84%	0.842	79%	0.786	S	S	*	*			trans	-107.9	-165.4	177.3	-135.4	-172.2	166.3	116.5	-6.5	106.5
274	P	50.3	Low	31.9	Very low	97 Å²	97	143 Å²	143	63%	0.63	79%	0.793	S	S	*	*			cis	-125.6	-137.1	-22	31.6	-5.5	0	0	0	108.3
275	D	27.4	Very low	31.2	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	79%	0.79	S	S	*	*			cis	-158.2	173.2	-8.4	-136.5	-41.1	0	0	0	111.3
276	G	28	Very low	31.3	Very low	65 Å²	65	141 Å²	141	67%	0.67	79%	0.794	S	S	*	*			trans	83.4	141.4	162.9	0	0	0	0	0	116
277	A	33.9	Very low	30.8	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	80%	0.796	S	S	*	*			cis	-162.9	172.5	-4.3	0	0	0	0	0	107.9
278	E	29.7	Very low	30.6	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	79%	0.79	S	S	*	*			cis	-162.2	-160.8	1	-144.8	179.6	-97.8	0	0	110.3
279	S	31.3	Very low	30.8	Very low	95 Å²	95	142.6 Å²	142.6	66%	0.664	79%	0.794	S	S	*	*			trans	64.1	89.1	151.9	-76.6	0	0	0	0	121.4
280	V	31	Very low	31.9	Very low	145 Å²	145	141.8 Å²	141.8	88%	0.879	80%	0.796	S	S	*	*				22.3	127.1	127	-161.6	0	0	0	0	120.2
281	A	29.1	Very low	32	Very low	97 Å²	97	139.8 Å²	139.8	80%	0.802	80%	0.796	S	S	*	*				152.4	136.3	124.8	0	0	0	0	0	112.8
282	S	31.8	Very low	32.1	Very low	121 Å²	121	138.3 Å²	138.3	85%	0.846	80%	0.796	S	S	*	*			trans	-111.1	134.7	-175.1	-51.2	0	0	0	0	112.5
283	V	28.5	Very low	32.3	Very low	148 Å²	148	140.7 Å²	140.7	90%	0.897	80%	0.797	S	S	*	*			trans	-141.1	134.2	159.3	-179	0	0	0	0	109.6
284	R	30.3	Very low	31.9	Very low	230 Å²	230	133.8 Å²	133.8	87%	0.868	80%	0.796	S	S	*	*			trans	-96.1	153.8	161.9	-73.6	179	171.7	178.2	-3.5	108.7
285	S	27	Very low	31.1	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	81%	0.81	S	S	*	*				157.2	157.1	118.4	-84	0	0	0	0	112.9
286	S	33.4	Very low	31.2	Very low	130 Å²	130	132.8 Å²	132.8	91%	0.909	81%	0.809	S	S	*	*			trans	-135.1	109.9	153.9	-64.4	0	0	0	0	108.6
287	E	27.4	Very low	31.5	Very low	188 Å²	188	137.3 Å²	137.3	88%	0.879	82%	0.817	S	S	*	*			trans	-125.1	149.6	163.2	-64.7	176.7	116.7	0	0	106.3
288	G	27.4	Very low	31.3	Very low	63 Å²	63	140.9 Å²	140.9	65%	0.649	82%	0.817	S	S	*	*			cis	158.7	109.2	-7.5	0	0	0	0	0	111.9
289	L	32.1	Very low	31.4	Very low	169 Å²	169	140.2 Å²	140.2	89%	0.885	82%	0.819	S	S	*	*			trans	60.5	-177.2	172.6	-87.7	78.5	0	0	0	114.8
290	P	50.3	Low	31.3	Very low	105 Å²	105	139.8 Å²	139.8	68%	0.682	82%	0.82	S	S	*	*			cis	-126.4	170	-9.9	14.6	10.8	0	0	0	116.3
291	E	29.4	Very low	31.3	Very low	171 Å²	171	140 Å²	140	80%	0.799	82%	0.817	S	S	*	*			trans	19.4	133.8	143.6	-51.5	-178.8	147.5	0	0	122.6
292	K	31.8	Very low	31.7	Very low	197 Å²	197	140.3 Å²	140.3	86%	0.857	81%	0.813	S	S	*	*				-172.1	164.9	97.1	-108.3	-178.8	177.8	178.1	0	115.5
293	E	32.4	Very low	31.5	Very low	193 Å²	193	138.3 Å²	138.3	90%	0.902	81%	0.812	S	S	*	*			trans	-76	160.2	178.9	-61.8	171.3	93	0	0	114.3
294	G	28	Very low	31.8	Very low	79 Å²	79	135.7 Å²	135.7	81%	0.814	81%	0.806	S	S	*	*			trans	-173.9	109.5	169.4	0	0	0	0	0	113.5
295	T	32.4	Very low	32.7	Very low	150 Å²	150	130.8 Å²	130.8	92%	0.92	80%	0.803	S	S	*	*			trans	-97.6	138.1	-175	-42.6	0	0	0	0	112.1
296	G	28.9	Very low	33	Very low	77 Å²	77	132 Å²	132	79%	0.794	81%	0.807	S	S	*	*			trans	165	119.2	166.8	0	0	0	0	0	117.3
297	L	34.7	Very low	33	Very low	160 Å²	160	133 Å²	133	84%	0.838	80%	0.8	S	S	*	*			trans	-78.5	150.2	177.5	-64.6	148.1	0	0	0	113.2
298	H	30.8	Very low	33.2	Very low	168 Å²	168	128.8 Å²	128.8	78%	0.778	79%	0.792	S	S	*	*				171.3	117.1	109.3	-101.9	-87	0	0	0	117.1
299	L	32.1	Very low	33.2	Very low	160 Å²	160	132.8 Å²	132.8	84%	0.838	80%	0.803	S	S	*	*				56.1	145	128.4	-151.2	67.6	0	0	0	125.2
300	A	29.2	Very low	33.2	Very low	85 Å²	85	129.9 Å²	129.9	70%	0.702	80%	0.797	S	S	*	*			trans	87	148.7	157.3	0	0	0	0	0	117.9
301	N	31	Very low	32.4	Very low	151 Å²	151	131 Å²	131	81%	0.807	81%	0.806	S	S	*	*			cis	-153.5	174.4	1.2	-146.8	-3.6	0	0	0	114
302	S	36.4	Very low	32.5	Very low	103 Å²	103	126.8 Å²	126.8	72%	0.72	80%	0.8	S	S	*	*			trans	-3.7	154.2	158.8	59.4	0	0	0	0	121.8
303	G	27.9	Very low	32.4	Very low	79 Å²	79	122.6 Å²	122.6	81%	0.814	80%	0.796	S	S	*	*			cis	171.4	-175.3	9.7	0	0	0	0	0	113
304	A	33.9	Very low	32.5	Very low	93 Å²	93	119.7 Å²	119.7	77%	0.769	79%	0.791	S	S	*	*			trans	-105.2	-178.9	-169.7	0	0	0	0	0	115.4
305	P	49.8	Very low	32.4	Very low	127 Å²	127	121.2 Å²	121.2	83%	0.825	79%	0.789	S	S	*	*				-131.3	-156.3	127.8	38.9	-29.5	0	0	0	114.4
306	T	34.3	Very low	32.5	Very low	125 Å²	125	118.3 Å²	118.3	77%	0.767	78%	0.775	S	S	*	*			trans	-150.4	175.7	-144.6	-38.5	0	0	0	0	113.9
307	I	33.8	Very low	32.6	Very low	149 Å²	149	121.5 Å²	121.5	76%	0.764	77%	0.774	S	S	*	*			trans	88.1	126.4	166.9	-52.3	174.6	0	0	0	114.8
308	S	29.9	Very low	32.5	Very low	101 Å²	101	121.1 Å²	121.1	71%	0.706	77%	0.767	S	S	*	*			cis	102	122.6	1.2	-44.1	0	0	0	0	118.8
309	V	27.6	Very low	32.4	Very low	147 Å²	147	118.1 Å²	118.1	89%	0.891	77%	0.765	S	S	*	*			trans	-142.8	157.7	169	-177.7	0	0	0	0	109.2
310	S	32.5	Very low	32.5	Very low	107 Å²	107	118.6 Å²	118.6	75%	0.748	76%	0.756	S	S	*	*			trans	-136.9	-170.8	-162	-55.3	0	0	0	0	115
311	C	33.4	Very low	32.6	Very low	129 Å²	129	120 Å²	120	87%	0.872	76%	0.76	S	S	*	*			trans	97.9	143.3	166.1	-60.2	0	0	0	0	117.8
312	A	31.1	Very low	32.6	Very low	82 Å²	82	118.7 Å²	118.7	68%	0.678	75%	0.75	S	S	*	*			cis	-170.3	150.9	-17.1	0	0	0	0	0	113.1
313	S	30.4	Very low	32.4	Very low	110 Å²	110	121 Å²	121	77%	0.769	75%	0.751	S	S	*	*			trans	63.8	154.8	141.1	-64.1	0	0	0	0	121.3
314	V	33.8	Very low	32.5	Very low	132 Å²	132	123.2 Å²	123.2	80%	0.8	74%	0.744	S	S	*	*			cis	-159.9	161.8	-3.6	-108	0	0	0	0	112.2
315	S	26.8	Very low	32.3	Very low	111 Å²	111	125.5 Å²	125.5	78%	0.776	74%	0.743	S	S	*	*			trans	67.9	146.3	157.1	-110.4	0	0	0	0	120.4
316	S	34.6	Very low	31.4	Very low	89 Å²	89	125.3 Å²	125.3	62%	0.622	75%	0.745	S	S	*	*			cis	-167.5	-170	-31.1	50.4	0	0	0	0	107.3
317	D	31.5	Very low	31.2	Very low	143 Å²	143	123.9 Å²	123.9	77%	0.765	75%	0.745	S	S	*	*			cis	-161.1	-167.5	17.8	-136.1	-55.1	0	0	0	114.3
318	H	31.4	Very low	31.7	Very low	152 Å²	152	123.1 Å²	123.1	70%	0.704	75%	0.75	S	S	*	*			trans	-40.3	154.3	175.9	-132.1	44.5	0	0	0	118.1
319	S	28.7	Very low	31.4	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	75%	0.75	S	S	*	*			cis	-151.5	164.5	44.9	-167.8	0	0	0	0	116.2
320	R	34.2	Very low	31.5	Very low	170 Å²	170	119.7 Å²	119.7	64%	0.642	74%	0.743	S	S	*	*			trans	-137.1	148.1	-172.3	-83.1	170.8	63.2	134.5	-5.1	114.2	E322	R320-E322 IonicContact CZ-OE1 2.75Å; R320-E322 VanDerWaalsContact CZ-OE1 3.31Å; R320-E322 IonicContact NE-OE1 2.76Å; R320-E322 PolarHBondContact NE-OE1 2.91Å; R320-E322 IonicContact NH2-OE1 3.68Å; R320-E322 PolarHBondContact NH2-OE1 2.93Å
321	S	32.7	Very low	31.1	Very low	114 Å²	114	123 Å²	123	80%	0.797	75%	0.747	S	S	*	*			trans	-159.1	125.3	138.1	44.9	0	0	0	0	107.1
322	E	30.3	Very low	30.8	Very low	124 Å²	124	124.5 Å²	124.5	58%	0.579	74%	0.741	S	S	*	*			cis	82	105.3	49	-62.2	-169.4	178	0	0	112.4	R320	R320-E322 IonicContact CZ-OE1 2.75Å; R320-E322 VanDerWaalsContact CZ-OE1 3.31Å; R320-E322 IonicContact NE-OE1 2.76Å; R320-E322 PolarHBondContact NE-OE1 2.91Å; R320-E322 IonicContact NH2-OE1 3.68Å; R320-E322 PolarHBondContact NH2-OE1 2.93Å
323	M	32.3	Very low	30.6	Very low	151 Å²	151	125 Å²	125	74%	0.744	74%	0.739	S	S	*	*				76.1	143.8	92	-87.1	91.5	158.9	0	0	112.7
324	D	28.6	Very low	30.5	Very low	126 Å²	126	126.8 Å²	126.8	67%	0.674	74%	0.741	S	S	*	*			cis	-158.2	162.1	5	-127.8	-0.6	0	0	0	115.1
325	L	31.6	Very low	30.5	Very low	142 Å²	142	128.3 Å²	128.3	74%	0.743	74%	0.744	S	S	*	*			trans	26	140.8	150.2	-59.3	169.4	0	0	0	125.4
326	S	29.2	Very low	30.5	Very low	123 Å²	123	126 Å²	126	86%	0.86	74%	0.737	S	S	*	*			trans	126.4	153.5	135.1	-55.1	0	0	0	0	119.1
327	A	31.5	Very low	30.5	Very low	95 Å²	95	129.9 Å²	129.9	79%	0.785	75%	0.75	S	S	*	*			trans	-124.3	-172.1	174	0	0	0	0	0	108.9
328	P	43.4	Very low	30.3	Very low	133 Å²	133	127.3 Å²	127.3	86%	0.864	74%	0.743	S	S	*	*			cis	-137.9	-166.8	1.4	44.8	-26.4	0	0	0	115
329	G	24.4	Very low	30.3	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	74%	0.743	S	S	*	*			trans	116.9	121.4	141.8	0	0	0	0	0	121.2
330	S	29.1	Very low	30.4	Very low	108 Å²	108	131 Å²	131	76%	0.755	74%	0.744	S	S	*	*			trans	38	115.4	141.9	59.5	0	0	0	0	124.4
331	E	25.1	Very low	30.5	Very low	176 Å²	176	127.4 Å²	127.4	82%	0.822	75%	0.745	S	S	*	*				62.5	141.3	121.8	-60.5	-171.9	124.9	0	0	125.6
332	H	27.2	Very low	30.7	Very low	160 Å²	160	132.9 Å²	132.9	74%	0.741	75%	0.748	S	S	*	*			trans	77.4	114.5	146.8	-99.9	-67.2	0	0	0	123.9
333	S	26.4	Very low	30.8	Very low	93 Å²	93	131.3 Å²	131.3	65%	0.65	75%	0.751	S	S	*	*			trans	64.9	152.1	138.2	60.4	0	0	0	0	121.4
334	D	28.7	Very low	30.7	Very low	148 Å²	148	130.5 Å²	130.5	79%	0.791	75%	0.754	S	S	*	*			cis	-163.2	162.9	-26.3	-107.8	-43.5	0	0	0	111.5
335	D	32.7	Very low	31.3	Very low	164 Å²	164	130.5 Å²	130.5	88%	0.877	76%	0.761	S	S	*	*			trans	62.5	146.8	153.6	-121	-27.6	0	0	0	122.4
336	G	27.2	Very low	31.1	Very low	61 Å²	61	127.1 Å²	127.1	63%	0.629	76%	0.761	S	S	*	*			trans	175.2	58.5	-175.8	0	0	0	0	0	117.8
337	L	34.4	Very low	31.1	Very low	171 Å²	171	128.7 Å²	128.7	90%	0.895	76%	0.759	S	S	*	*			trans	75.2	141	166.8	-51.7	179.4	0	0	0	116
338	S	26.6	Very low	30.9	Very low	89 Å²	89	130.9 Å²	130.9	62%	0.622	76%	0.757	S	S	*	*			cis	-164.1	137.6	-7.5	175.9	0	0	0	0	111.8
339	L	31.1	Very low	30.8	Very low	133 Å²	133	133.8 Å²	133.8	70%	0.696	76%	0.759	S	S	*	*			trans	35	137.3	142.1	-51.1	175.2	0	0	0	120.3
340	R	30.8	Very low	30.9	Very low	202 Å²	202	135.1 Å²	135.1	76%	0.762	76%	0.764	S	S	*	*			cis	-170.7	142.1	6.5	-131	175	174.9	139.6	0.2	112.7
341	S	36.8	Very low	31.3	Very low	94 Å²	94	139 Å²	139	66%	0.657	77%	0.77	S	S	*	*			trans	56.6	149.6	140.8	-67.7	0	0	0	0	120.7
342	R	36.6	Very low	31.4	Very low	230 Å²	230	140.2 Å²	140.2	87%	0.868	77%	0.773	S	S	*	*			cis	-173.5	151.4	-2.9	-109.1	174.8	177.8	175.5	-1.2	105.3
343	S	33	Very low	31.4	Very low	90 Å²	90	137 Å²	137	63%	0.629	77%	0.768	S	S	*	*			cis	-146.4	-179	-4.6	-57.5	0	0	0	0	106.5
344	V	31	Very low	31.6	Very low	134 Å²	134	140.7 Å²	140.7	81%	0.812	78%	0.781	S	S	*	*			cis	61.2	146.1	22.4	-65.9	0	0	0	0	118.3
345	P	40	Very low	32	Very low	126 Å²	126	141.8 Å²	141.8	82%	0.818	78%	0.781	S	S	*	*			cis	-116.8	-177.9	-5	37.6	-20.7	0	0	0	112.2
346	G	28.1	Very low	32.2	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	78%	0.778	S	S	*	*			cis	179.1	-158.6	11.6	0	0	0	0	0	107.3
347	L	29.9	Very low	32.8	Very low	155 Å²	155	142.7 Å²	142.7	81%	0.812	78%	0.784	S	S	*	*			cis	-167	155.7	-15.8	-97.5	175.9	0	0	0	104.1
348	N	27	Very low	33.2	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	77%	0.773	S	S	*	*			cis	-129.9	172.8	6.7	-62.9	-70.8	0	0	0	110.3
349	E	39.7	Very low	34	Very low	194 Å²	194	145.3 Å²	145.3	91%	0.907	78%	0.782	S	S	*	*			trans	-81	152.2	162.7	-62.7	178.7	133.1	0	0	111.8
350	A	28.1	Very low	34.6	Very low	96 Å²	96	144.9 Å²	144.9	79%	0.793	78%	0.78	S	S	*	*			trans	-156.6	133.2	158.7	0	0	0	0	0	108.6
351	E	36.9	Very low	35.2	Very low	191 Å²	191	138.1 Å²	138.1	89%	0.893	76%	0.759	S	S	*	*			trans	-66.7	136.7	176.9	-58	166	111.8	0	0	110.7
352	F	26.6	Very low	35.5	Very low	201 Å²	201	138.7 Å²	138.7	88%	0.882	75%	0.754	S	S	*	*			trans	-150.6	154.5	161.3	-114.5	-79.8	0	0	0	111.8
353	S	27	Very low	35.8	Very low	92 Å²	92	130.5 Å²	130.5	64%	0.643	74%	0.736	S	S	*	*			trans	-78.2	140.8	-160.9	49.7	0	0	0	0	116.5	E355	S353-E355 VanDerWaalsContact C-N 3.26Å; S353-E355 PolarHBondContact O-N 2.99Å
354	D	31.8	Very low	36.2	Very low	171 Å²	171	130.7 Å²	130.7	91%	0.914	73%	0.729	S	S	*	*	S	Bend	trans	-73.4	62.8	170	-83.2	-44.8	0	0	0	113.4
355	E	36.6	Very low	36.5	Very low	170 Å²	170	128.8 Å²	128.8	79%	0.794	71%	0.713	S	S	*	*			trans	-137.5	86.5	167.4	-71.9	-160.3	149.5	0	0	111.1	S353	S353-E355 VanDerWaalsContact C-N 3.26Å; S353-E355 PolarHBondContact O-N 2.99Å
356	D	36.1	Very low	36.5	Very low	153 Å²	153	126.2 Å²	126.2	82%	0.818	70%	0.698	S	S	*	*	S	Bend	trans	-176.3	-15.8	163.2	-109.7	-15.8	0	0	0	113.9	E358	D356-E358 PolarHBondContact O-N 3.35Å
357	A	40.1	Very low	36.8	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-2.9	-161.7	0	0	0	0	0	118
358	E	43.2	Very low	37.4	Very low	142 Å²	142	128.2 Å²	128.2	66%	0.664	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-22.7	-173.8	-68.4	-130.6	-179.8	0	0	115.2	D356 D360	D356-E358 PolarHBondContact O-N 3.35Å; E358-D360 PolarHBondContact O-N 3.38Å
359	E	42.7	Very low	37.7	Very low	173 Å²	173	126.2 Å²	126.2	81%	0.808	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-29.2	-172.5	-62.8	-153.9	145.3	0	0	114.2	I361	E359-I361 VanDerWaalsContact C-N 3.26Å; E359-I361 PolarHBondContact O-N 3.01Å
360	D	44.7	Very low	37.5	Very low	124 Å²	124	124.8 Å²	124.8	66%	0.663	69%	0.693	S	S	*	*	H	α-helix	trans	-78.5	-5.9	-170.8	-151.9	26.5	0	0	0	113.8	E358	E358-D360 PolarHBondContact O-N 3.38Å
361	I	42.8	Very low	37.6	Very low	61 Å²	61	125.4 Å²	125.4	31%	0.313	69%	0.691	S	S	.	*	H	α-helix	trans	-77.9	-40	-178.2	-59.6	178.3	0	0	0	111.7	L50 E359 L364	L50-I361 HydrophobicContact CD1-CD1 4.45Å; E359-I361 VanDerWaalsContact C-N 3.26Å; E359-I361 PolarHBondContact O-N 3.01Å; I361-L364 WeakPolarHBondContact O-CB 3.16Å; I361-L364 PolarHBondContact O-N 2.61Å
362	D	42.8	Very low	37.4	Very low	105 Å²	105	128 Å²	128	56%	0.561	69%	0.693	S	S	*	*	H	α-helix	trans	-84.4	-33.8	-171.7	-157	45.4	0	0	0	112.4	L364 M365 S366	D362-L364 PolarHBondContact O-N 2.94Å; D362-M365 PolarHBondContact O-N 3.18Å; D362-S366 PolarHBondContact O-N 2.91Å
363	A	43	Very low	37.4	Very low	58 Å²	58	122.3 Å²	122.3	48%	0.479	69%	0.691	S	S	.	*	H	α-helix	trans	-53.8	-38.7	166.6	0	0	0	0	0	111.5	M365 S366 A367	A363-M365 PolarHBondContact O-N 3.27Å; A363-S366 PolarHBondContact O-N 2.88Å; A363-A367 PolarHBondContact O-N 2.91Å
364	L	41.6	Very low	37.4	Very low	94 Å²	94	121.4 Å²	121.4	49%	0.492	70%	0.696	S	S	.	*	H	α-helix	trans	-71.2	-7.1	177.7	-107.7	166.6	0	0	0	114.7	K53 I361 D362	K53-L364 PolarHBondContact NZ-O 2.82Å; I361-L364 WeakPolarHBondContact O-CB 3.16Å; I361-L364 PolarHBondContact O-N 2.61Å; D362-L364 PolarHBondContact O-N 2.94Å
365	M	37.7	Very low	37.2	Very low	94 Å²	94	125.4 Å²	125.4	46%	0.463	70%	0.698	S	S	.	*	H	α-helix	trans	-95.8	-33.1	166.7	-63.9	-143.1	-67.1	0	0	112.5	D362 A363 A367	D362-M365 PolarHBondContact O-N 3.18Å; A363-M365 PolarHBondContact O-N 3.27Å; M365-A367 VanDerWaalsContact C-N 3.35Å; M365-A367 PolarHBondContact O-N 2.74Å
366	S	39.8	Very low	36.9	Very low	73 Å²	73	125.1 Å²	125.1	51%	0.51	70%	0.701	S	S	.	*	H	α-helix	trans	-68.7	-27.2	-176.3	-67.6	0	0	0	0	114.6	D362 A363 H368 S369	D362-S366 PolarHBondContact O-N 2.91Å; A363-S366 PolarHBondContact O-N 2.88Å; S366-H368 PolarHBondContact O-N 2.71Å; S366-S369 PolarHBondContact O-N 2.91Å; S366-S369 PolarHBondContact O-OG 3.44Å
367	A	35.8	Very low	36.4	Very low	85 Å²	85	123.9 Å²	123.9	70%	0.702	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-4.7	-170.4	0	0	0	0	0	116.8	A363 M365	A363-A367 PolarHBondContact O-N 2.91Å; M365-A367 VanDerWaalsContact C-N 3.35Å; M365-A367 PolarHBondContact O-N 2.74Å
368	H	40.6	Very low	35.8	Very low	184 Å²	184	127.4 Å²	127.4	85%	0.852	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-4.7	-176.9	-105.2	-61.8	0	0	0	115.8	S366	S366-H368 PolarHBondContact O-N 2.71Å
369	S	34.5	Very low	35	Very low	98 Å²	98	125.8 Å²	125.8	69%	0.685	72%	0.721	S	S	*	*	S	Bend	trans	-80.8	-25.2	178.1	58.5	0	0	0	0	113.6	S366	S366-S369 PolarHBondContact O-N 2.91Å; S366-S369 PolarHBondContact O-OG 3.44Å
370	L	35	Very low	34.3	Very low	165 Å²	165	121.9 Å²	121.9	86%	0.864	72%	0.719	S	S	*	*	S	Bend	trans	-105.6	57.8	-171.1	-75.7	164	0	0	0	113.2
371	S	31.3	Very low	33.3	Very low	108 Å²	108	121.5 Å²	121.5	76%	0.755	73%	0.726	S	S	*	*			trans	-151.2	84.9	164.6	-168.8	0	0	0	0	113
372	R	31.3	Very low	32.5	Very low	247 Å²	247	124.9 Å²	124.9	93%	0.932	75%	0.749	S	S	*	*			trans	-170.3	96.6	152.4	-111	172.1	69.1	-170.1	1	111.2
373	G	27.2	Very low	31.7	Very low	81 Å²	81	125 Å²	125	84%	0.835	76%	0.759	S	S	*	*			trans	-146.9	110.5	175.4	0	0	0	0	0	112.4
374	G	27.7	Very low	30.9	Very low	73 Å²	73	127.6 Å²	127.6	75%	0.753	77%	0.773	S	S	*	*			trans	81	111.6	161.3	0	0	0	0	0	118.3
375	R	26.6	Very low	30.3	Very low	254 Å²	254	129.5 Å²	129.5	96%	0.958	79%	0.789	S	S	*	*				-166.1	158.3	104.1	-95.7	164.6	-160.9	-103.2	1.2	110.1
376	L	30.8	Very low	30.3	Very low	164 Å²	164	131.1 Å²	131.1	86%	0.859	81%	0.806	S	S	*	*			trans	-113.8	155.8	-170.5	-68.9	162.3	0	0	0	111.1
377	S	25.8	Very low	29.5	Very low	128 Å²	128	130.4 Å²	130.4	90%	0.895	81%	0.811	S	S	*	*			trans	-159.8	146.1	155.1	-94.3	0	0	0	0	110.1
378	N	26.7	Very low	29.1	Very low	165 Å²	165	133 Å²	133	88%	0.882	82%	0.818	S	S	*	*			trans	-96.1	148.9	-172.4	-68.9	-7.1	0	0	0	113.7
379	A	25.5	Very low	28.5	Very low	107 Å²	107	132.4 Å²	132.4	88%	0.884	82%	0.816	S	S	*	*			trans	-149.7	155	149.5	0	0	0	0	0	108
380	A	28.3	Very low	28.3	Very low	91 Å²	91	138.1 Å²	138.1	75%	0.752	82%	0.822	S	S	*	*			trans	-129.4	147.9	-160.2	0	0	0	0	0	115.7
381	S	25.1	Very low	27.8	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	83%	0.825	S	S	*	*			trans	68	159.6	160.8	-53	0	0	0	0	116.3
382	T	25.8	Very low	27.5	Very low	131 Å²	131	147.6 Å²	147.6	80%	0.804	83%	0.83	S	S	*	*			cis	-132.6	-177.9	15.1	45.9	0	0	0	0	114
383	S	25.7	Very low	27.2	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	82%	0.82	S	S	*	*			trans	-44.5	161.2	171.9	53.9	0	0	0	0	116
384	S	25.7	Very low	27.3	Very low	112 Å²	112	145.1 Å²	145.1	78%	0.783	82%	0.819	S	S	*	*			cis	-167.4	172	43.5	54	0	0	0	0	115.2
385	T	28.9	Very low	27.3	Very low	134 Å²	134	148.4 Å²	148.4	82%	0.822	82%	0.818	S	S	*	*			trans	-126.8	155.5	163.3	5.5	0	0	0	0	107.4
386	P	38.5	Very low	27.3	Very low	128 Å²	128	143 Å²	143	83%	0.831	81%	0.808	S	S	*	*				-154.1	176.3	64	42.2	-22.1	0	0	0	118.2
387	G	23.3	Very low	27.2	Very low	59 Å²	59	142.4 Å²	142.4	61%	0.608	81%	0.805	S	S	*	*			trans	107.2	109.4	130.1	0	0	0	0	0	120.5
388	T	27	Very low	27.3	Very low	140 Å²	140	141.8 Å²	141.8	86%	0.859	80%	0.797	S	S	*	*			trans	63.4	158.3	144.6	47.7	0	0	0	0	118.9
389	E	27.3	Very low	27.5	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.794	79%	0.794	S	S	*	*			cis	-143.5	-163.6	-0.6	-138.7	-176.5	-175.8	0	0	113.1
390	R	31.2	Very low	27.6	Very low	218 Å²	218	141.8 Å²	141.8	82%	0.823	79%	0.792	S	S	*	*			trans	-90.9	147.5	-170.9	-46.2	169	-163.4	159.7	6.2	112.4
391	R	24	Very low	28	Very low	245 Å²	245	145.7 Å²	145.7	93%	0.925	80%	0.8	S	S	*	*			trans	-150.8	118.7	143.8	-161.3	164	-176.3	156.1	-0.6	112
392	W	25.7	Very low	28.5	Very low	228 Å²	228	144.2 Å²	144.2	86%	0.864	80%	0.795	S	S	*	*			trans	-86.5	147	166.1	-82.4	88	0	0	0	110.1
393	G	25.3	Very low	28.9	Very low	69 Å²	69	145.1 Å²	145.1	71%	0.711	79%	0.79	S	S	*	*			trans	-129.1	135.9	166.2	0	0	0	0	0	109.1
394	Y	28.8	Very low	29.3	Very low	206 Å²	206	145.7 Å²	145.7	81%	0.808	79%	0.789	S	S	*	*			trans	-99	177	-179.1	-99.2	-100.1	0	0	0	111.4
395	L	27.7	Very low	29.7	Very low	143 Å²	143	144 Å²	144	75%	0.749	78%	0.778	S	S	*	*			trans	78.9	136	168.5	-42.5	-179	0	0	0	114.8
396	N	26	Very low	30.2	Very low	139 Å²	139	141.6 Å²	141.6	74%	0.743	77%	0.766	S	S	*	*			cis	-150.6	152.7	-11.1	-105.8	-13.8	0	0	0	109.6
397	I	29.1	Very low	30.1	Very low	153 Å²	153	142.3 Å²	142.3	79%	0.785	76%	0.762	S	S	*	*			trans	-109.9	128.4	168.6	-60.4	173.5	0	0	0	107
398	P	28.7	Very low	30.9	Very low	115 Å²	115	142.9 Å²	142.9	75%	0.747	75%	0.752	S	S	*	*			trans	-84.2	135.8	165.9	32.8	-30.3	0	0	0	110.5
399	D	30.4	Very low	31.4	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	73%	0.732	S	S	*	*			trans	-70.2	142.9	175.8	-61.1	-65.5	0	0	0	112.2
400	S	27.8	Very low	31.7	Very low	120 Å²	120	136 Å²	136	84%	0.839	72%	0.718	S	S	*	*			trans	-164.7	118.1	162.7	-76.8	0	0	0	0	109.7	A402	S400-A402 PolarHBondContact O-N 2.82Å
401	D	36.8	Very low	32.1	Very low	173 Å²	173	129.1 Å²	129.1	93%	0.925	70%	0.696	S	S	*	*			trans	-74.7	111.4	-175.1	-63.5	-80.2	0	0	0	113.5
402	A	34.5	Very low	32.7	Very low	87 Å²	87	118.5 Å²	118.5	72%	0.719	66%	0.659	S	S	*	*			trans	-158.5	137.1	160.4	0	0	0	0	0	112.9	S400	S400-A402 PolarHBondContact O-N 2.82Å
403	E	34.6	Very low	32.9	Very low	150 Å²	150	112.1 Å²	112.1	70%	0.701	64%	0.64	S	S	*	*			trans	45.2	68.9	156.5	-64.3	-50.2	126.7	0	0	120.2	S405	E403-S405 WeakPolarHBondContact OE2-CB 3.13Å; E403-S405 PolarHBondContact OE2-OG 2.76Å
404	T	33.7	Very low	33.6	Very low	120 Å²	120	115.5 Å²	115.5	74%	0.736	63%	0.632	S	S	*	*			trans	-98.8	26.1	158.1	52.2	0	0	0	0	113.2
405	S	34.2	Very low	34.2	Very low	76 Å²	76	106.7 Å²	106.7	53%	0.531	60%	0.601	S	S	.	*			trans	-70.5	-34.8	-174.5	56.9	0	0	0	0	114.5	E403	E403-S405 WeakPolarHBondContact OE2-CB 3.13Å; E403-S405 PolarHBondContact OE2-OG 2.76Å
406	S	39.3	Very low	34.7	Very low	84 Å²	84	106.5 Å²	106.5	59%	0.587	60%	0.596	S	S	*	*	S	Bend	trans	-78.2	-41	-162.7	59.5	0	0	0	0	115.9	N408 S409	S406-N408 VanDerWaalsContact C-N 3.28Å; S406-N408 PolarHBondContact O-N 3.35Å; S406-S409 WeakPolarHBondContact O-CB 3.41Å; S406-S409 PolarHBondContact O-N 2.8Å
407	L	36.7	Very low	35.1	Very low	143 Å²	143	103.9 Å²	103.9	75%	0.749	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-64.3	-31.5	-172.7	-69.6	171.9	0	0	0	113.1	S409	L407-S409 PolarHBondContact O-N 3Å
408	N	40.2	Very low	36	Very low	71 Å²	71	99 Å²	99	38%	0.38	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-67.8	-3.9	179	-71.8	-48.9	0	0	0	114.3	S406	S406-N408 VanDerWaalsContact C-N 3.28Å; S406-N408 PolarHBondContact O-N 3.35Å
409	S	37.5	Very low	36.5	Very low	64 Å²	64	101.2 Å²	101.2	45%	0.448	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-85.6	-17.5	-177.8	-169.2	0	0	0	0	114.6	S406 L407	S406-S409 WeakPolarHBondContact O-CB 3.41Å; S406-S409 PolarHBondContact O-N 2.8Å; L407-S409 PolarHBondContact O-N 3Å
410	M	33.8	Very low	37.4	Very low	100 Å²	100	96.8 Å²	96.8	49%	0.493	55%	0.551	S	S	.	*	S	Bend	trans	-86.8	-26.2	-173.1	-94.5	-177.4	47.3	0	0	115.2	R129 S412	R129-M410 PolarHBondContact NH1-SD 2.84Å; M410-S412 PolarHBondContact O-N 3.26Å
411	M	39.2	Very low	38.2	Very low	75 Å²	75	93.7 Å²	93.7	37%	0.369	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-73.6	-22.7	-173	-76.6	146.8	70	0	0	114.3	M413 Y414	M411-M413 PolarHBondContact O-N 2.81Å; M411-Y414 PolarHBondContact O-N 3.44Å
412	S	36.5	Very low	38.8	Very low	22 Å²	22	93.6 Å²	93.6	15%	0.154	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-85	-0.2	-174	71	0	0	0	0	116.1	M410 Y414 K479	M410-S412 PolarHBondContact O-N 3.26Å; S412-Y414 VanDerWaalsContact C-N 3.31Å; S412-K479 PolarHBondContact OG-NZ 3.21Å
413	M	30.9	Very low	39.8	Very low	94 Å²	94	90.4 Å²	90.4	46%	0.463	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-84.6	-9.1	166.5	-61.4	-65.4	-52	0	0	112.2	M411 R476	M411-M413 PolarHBondContact O-N 2.81Å; M413-R476 VanDerWaalsContact CG-NH2 3.27Å; M413-R476 PolarHBondContact SD-NH2 3.48Å
414	Y	38.9	Very low	41	Very low	139 Å²	139	94.1 Å²	94.1	55%	0.545	52%	0.519	S	S	.	.	S	Bend	trans	-104.2	-8	179.5	-68.9	-84.1	0	0	0	112.4	M411 S412 E416	M411-Y414 PolarHBondContact O-N 3.44Å; S412-Y414 VanDerWaalsContact C-N 3.31Å; Y414-E416 PolarHBondContact O-N 2.65Å; Y414-E416 VanDerWaalsContact O-N 3.1Å
415	S	41.2	Very low	43	Very low	21 Å²	21	90 Å²	90	15%	0.147	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	26.1	173.8	-55.1	0	0	0	0	113.4	Y420	S415-Y420 PolarHBondContact O-OH 3.47Å
416	E	37.8	Very low	45.1	Very low	139 Å²	139	88.6 Å²	88.6	65%	0.65	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	-23.8	-175.3	-170.6	172	-151.5	0	0	111.9	Y414 Y420	Y414-E416 PolarHBondContact O-N 2.65Å; Y414-E416 VanDerWaalsContact O-N 3.1Å; E416-Y420 WeakPolarHBondContact CA-OH 3.29Å; E416-Y420 PolarHBondContact O-OH 2.81Å; E416-Y420 VanDerWaalsContact O-OH 3.1Å
417	T	35.8	Very low	47.3	Very low	84 Å²	84	85 Å²	85	52%	0.515	46%	0.46	S	S	.	.	S	Bend	trans	-79.6	119.9	173.1	-47.2	0	0	0	0	109.3	D419	T417-D419 PolarHBondContact O-N 2.6Å; T417-D419 VanDerWaalsContact O-N 3.15Å
418	G	47	Very low	49.9	Very low	51 Å²	51	81.5 Å²	81.5	53%	0.526	44%	0.44	S	S	.	.	S	Bend	trans	-61.4	112	-174.2	0	0	0	0	0	114
419	D	38.9	Very low	52.5	Low	162 Å²	162	78.1 Å²	78.1	87%	0.866	42%	0.422	S	S	*	.			trans	-163.9	58	140.4	-134.4	-7.7	0	0	0	107.8	T417 G421	T417-D419 PolarHBondContact O-N 2.6Å; T417-D419 VanDerWaalsContact O-N 3.15Å; D419-G421 PolarHBondContact O-N 3.06Å; D419-G421 VanDerWaalsContact O-N 3.11Å
420	Y	49.9	Very low	55.1	Low	57 Å²	57	75.3 Å²	75.3	22%	0.224	40%	0.402	C	S	.	.			trans	-69	110.5	-180	-47.2	-79.3	0	0	0	108.3	S415 E416 N422 W516 F526 R552	S415-Y420 PolarHBondContact O-OH 3.47Å; E416-Y420 WeakPolarHBondContact CA-OH 3.29Å; E416-Y420 PolarHBondContact O-OH 2.81Å; E416-Y420 VanDerWaalsContact O-OH 3.1Å; Y420-N422 PolarHBondContact O-N 2.92Å; Y420-W516 HydrophobicContact CD1-CZ3 4.48Å; Y420-W516 HydrophobicContact CE1-CH2 4.21Å; Y420-W516 HydrophobicContact CE1-CZ3 4.45Å; Y420-F526 HydrophobicContact CD1-CB 4.45Å; Y420-R552 PolarHBondContact OH-NH1 2.76Å
421	G	45.7	Very low	57.9	Low	56 Å²	56	70.6 Å²	70.6	58%	0.577	38%	0.379	S	S	*	.			trans	-51.2	127	176.2	0	0	0	0	0	110.2	D419 A423	D419-G421 PolarHBondContact O-N 3.06Å; D419-G421 VanDerWaalsContact O-N 3.11Å; G421-A423 PolarHBondContact O-N 2.91Å
422	N	47.5	Very low	60.4	Low	171 Å²	171	67.3 Å²	67.3	91%	0.914	36%	0.363	S	S	*	.			trans	-70.3	58.2	-165.9	-111.9	-32.8	0	0	0	113.6	Y420	Y420-N422 PolarHBondContact O-N 2.92Å
423	A	56.2	Low	62.9	Low	20 Å²	20	66.4 Å²	66.4	17%	0.165	36%	0.356	C	S	.	.			trans	-61.3	133.4	169.4	0	0	0	0	0	108.7	G421 V425	G421-A423 PolarHBondContact O-N 2.91Å; A423-V425 VanDerWaalsContact C-N 3.29Å; A423-V425 PolarHBondContact O-N 2.94Å
424	R	61	Low	65.7	Low	228 Å²	228	63.2 Å²	63.2	86%	0.86	34%	0.343	S	S	*	.			trans	-71.7	89	176.6	-68.7	-177.8	177.6	-170.9	-1.9	109.1	S426 A453	R424-S426 PolarHBondContact O-N 3.06Å; R424-S426 PolarHBondContact O-OG 3.37Å; R424-A453 WeakPolarHBondContact O-CB 3.37Å
425	V	75.8	Confident	68	Low	33 Å²	33	57.7 Å²	57.7	20%	0.2	32%	0.321	C	S	.	.			trans	-50.1	125.7	179.1	169.2	0	0	0	0	109.7	A423 F526 L527 G528 Q550 P551	A423-V425 VanDerWaalsContact C-N 3.29Å; A423-V425 PolarHBondContact O-N 2.94Å; V425-F526 HydrophobicContact CG2-CD1 3.88Å; V425-F526 HydrophobicContact CG2-CE1 3.88Å; V425-L527 WeakPolarHBondContact CG1-O 3.26Å; V425-G528 VanDerWaalsContact CG1-CA 3.44Å; V425-Q550 VanDerWaalsContact CG1-C 3.46Å; V425-Q550 WeakPolarHBondContact CG1-O 3.33Å; V425-P551 HydrophobicContact CB-CB 4.04Å; V425-P551 HydrophobicContact CG1-CB 4.34Å; V425-P551 HydrophobicContact CG2-CB 4.32Å
426	S	77.3	Confident	70.2	Confident	46 Å²	46	58.3 Å²	58.3	32%	0.322	33%	0.326	S	S	.	.			trans	-164.5	151.1	-171.2	42.6	0	0	0	0	108.6	R424 N451 L452 A453	R424-S426 PolarHBondContact O-N 3.06Å; R424-S426 PolarHBondContact O-OG 3.37Å; S426-N451 CarbonylContact C-O 3.56Å; S426-L452 CarbonylContact O-C 3.6Å; S426-L452 WeakPolarHBondContact O-CA 3.46Å; S426-A453 PolarHBondContact O-N 3.23Å; S426-A453 VanDerWaalsContact O-N 3.08Å
427	G	85.6	Confident	72.4	Confident	10 Å²	10	57 Å²	57	10%	0.103	32%	0.315	C	S	.	.			trans	111.7	174.3	-178.8	0	0	0	0	0	113.2	Y450 N451 L549	G427-Y450 CarbonylContact C-O 3.54Å; G427-Y450 WeakPolarHBondContact CA-O 3.47Å; G427-N451 WeakPolarHBondContact CA-O 3.21Å; G427-N451 PolarHBondContact N-O 2.84Å; G427-L549 WeakPolarHBondContact O-CB 3.34Å; G427-L549 PolarHBondContact O-N 3.19Å
428	E	92.1	Very high	74.6	Confident	68 Å²	68	62.8 Å²	62.8	32%	0.318	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.2	-172.5	-47.3	-166.1	99.7	0	0	109.4	C449 Y450 W546 Y547 S548	E428-C449 CarbonylContact O-C 3.08Å; E428-C449 WeakPolarHBondContact O-CA 3.34Å; E428-C449 WeakPolarHBondContact O-CB 3.31Å; E428-Y450 PolarHBondContact N-O 2.82Å; E428-Y450 PolarHBondContact O-N 2.91Å; E428-W546 HydrophobicContact CB-CE3 3.86Å; E428-W546 HydrophobicContact CB-CZ3 4.38Å; E428-Y547 CarbonylContact C-O 3.57Å; E428-Y547 WeakPolarHBondContact CA-O 3.31Å; E428-S548 WeakPolarHBondContact OE1-CB 3.39Å; E428-S548 PolarHBondContact OE1-OG 3.18Å
429	I	93.2	Very high	76.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.4	179.4	-170.7	165.4	0	0	0	110.6	L431 V446 V466 V513 V515 V530 Y547 L549	I429-L431 HydrophobicContact CD1-CD2 3.81Å; I429-L431 HydrophobicContact CD1-CG 4.48Å; I429-L431 HydrophobicContact CG1-CD2 3.76Å; I429-L431 HydrophobicContact CG1-CG 4.09Å; I429-L431 HydrophobicContact CG2-CD1 4.33Å; I429-L431 HydrophobicContact CG2-CG 4.25Å; I429-V446 HydrophobicContact CD1-CG1 4.17Å; I429-V466 HydrophobicContact CD1-CG1 4Å; I429-V466 HydrophobicContact CD1-CG2 3.93Å; I429-V513 HydrophobicContact CD1-CG1 3.86Å; I429-V515 HydrophobicContact CD1-CG2 4.04Å; I429-V530 HydrophobicContact CG2-CG1 4.02Å; I429-Y547 PolarHBondContact N-O 3.22Å; I429-Y547 PolarHBondContact O-N 3.41Å; I429-L549 HydrophobicContact CB-CD2 4.08Å; I429-L549 HydrophobicContact CB-CG 4.47Å; I429-L549 HydrophobicContact CG2-CD2 3.63Å; I429-L549 HydrophobicContact CG2-CG 4.35Å
430	L	93.4	Very high	78.5	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108.2	175	-172.3	57.3	0	0	0	108.9	K447 K448 E544 E545 W546	L430-K447 HydrophobicContact CB-CB 4.42Å; L430-K447 HydrophobicContact CD2-CB 4.36Å; L430-K447 HydrophobicContact CD2-CD 4.42Å; L430-K447 HydrophobicContact CG-CB 4.26Å; L430-K447 HydrophobicContact CG-CD 4.47Å; L430-K447 PolarHBondContact O-N 3.11Å; L430-K448 HydrophobicContact CB-CG 3.9Å; L430-K448 WeakPolarHBondContact CB-O 3.42Å; L430-K448 HydrophobicContact CD2-CD 4.26Å; L430-K448 HydrophobicContact CD2-CG 3.95Å; L430-K448 PolarHBondContact N-O 3.34Å; L430-E544 HydrophobicContact CD1-CG 3.59Å; L430-E544 HydrophobicContact CD2-CG 4.21Å; L430-E544 WeakPolarHBondContact CD2-OE1 3.39Å; L430-E544 HydrophobicContact CG-CG 4.01Å; L430-E545 WeakPolarHBondContact CD1-O 3.31Å; L430-W546 HydrophobicContact CB-CD2 4.03Å; L430-W546 HydrophobicContact CB-CE3 3.8Å; L430-W546 HydrophobicContact CB-CH2 4.03Å; L430-W546 HydrophobicContact CB-CZ2 4.22Å; L430-W546 HydrophobicContact CB-CZ3 3.8Å; L430-W546 HydrophobicContact CD1-CD2 3.9Å; L430-W546 HydrophobicContact CD1-CG 3.98Å; L430-W546 HydrophobicContact CD2-CH2 4.31Å; L430-W546 HydrophobicContact CD2-CZ2 3.87Å; L430-W546 HydrophobicContact CG-CD2 4.42Å; L430-W546 HydrophobicContact CG-CZ2 4.45Å
431	L	92.3	Very high	80.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	154.3	177.1	-56.9	175.3	0	0	0	109.9	I429 I433 V446 V513 L532 E545 Y547	I429-L431 HydrophobicContact CD1-CD2 3.81Å; I429-L431 HydrophobicContact CD1-CG 4.48Å; I429-L431 HydrophobicContact CG1-CD2 3.76Å; I429-L431 HydrophobicContact CG1-CG 4.09Å; I429-L431 HydrophobicContact CG2-CD1 4.33Å; I429-L431 HydrophobicContact CG2-CG 4.25Å; L431-I433 HydrophobicContact CB-CG1 4.4Å; L431-V446 HydrophobicContact CD2-CB 4.31Å; L431-V446 HydrophobicContact CD2-CG1 4.33Å; L431-V446 HydrophobicContact CD2-CG2 3.93Å; L431-V513 HydrophobicContact CD1-CB 4.48Å; L431-V513 HydrophobicContact CD1-CG1 4.26Å; L431-V513 HydrophobicContact CD1-CG2 3.97Å; L431-L532 HydrophobicContact CD1-CD1 3.97Å; L431-E545 PolarHBondContact N-O 3.05Å; L431-E545 PolarHBondContact O-N 2.83Å; L431-Y547 HydrophobicContact CB-CD2 3.97Å; L431-Y547 HydrophobicContact CB-CE2 3.86Å; L431-Y547 HydrophobicContact CD1-CD2 3.85Å; L431-Y547 HydrophobicContact CD1-CE2 4.27Å; L431-Y547 HydrophobicContact CG-CD2 3.99Å; L431-Y547 HydrophobicContact CG-CE2 4.38Å
432	N	91.2	Very high	82.4	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	113.4	168.9	179.7	-98.6	0	0	0	106.9	L445 Q542 I543	N432-L445 HydrophobicContact CB-CB 4.16Å; N432-L445 HydrophobicContact CB-CD2 4.31Å; N432-L445 HydrophobicContact CB-CG 4.46Å; N432-L445 PolarHBondContact N-O 2.95Å; N432-L445 WeakPolarHBondContact O-CB 3.34Å; N432-L445 PolarHBondContact O-N 3.01Å; N432-Q542 PolarHBondContact ND2-O 2.81Å; N432-Q542 PolarHBondContact OD1-NE2 2.91Å; N432-I543 WeakPolarHBondContact CA-O 3.49Å; N432-I543 PolarHBondContact ND2-O 3.12Å
433	I	89.8	Confident	84.4	Confident	3 Å²	3	45 Å²	45	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.4	-171.4	-60.7	179.7	0	0	0	107.8	L431 L442 V444 L511 L532 F534 W537 F539	L431-I433 HydrophobicContact CB-CG1 4.4Å; I433-L442 HydrophobicContact CG2-CD1 3.63Å; I433-V444 HydrophobicContact CG1-CG1 4.48Å; I433-L511 HydrophobicContact CD1-CD2 3.74Å; I433-L532 HydrophobicContact CD1-CD1 3.58Å; I433-F534 HydrophobicContact CD1-CE1 4.44Å; I433-F534 HydrophobicContact CG2-CE1 4.07Å; I433-F534 HydrophobicContact CG2-CZ 4.33Å; I433-W537 HydrophobicContact CB-CZ2 3.93Å; I433-W537 HydrophobicContact CD1-CH2 3.9Å; I433-W537 HydrophobicContact CD1-CZ2 3.91Å; I433-W537 HydrophobicContact CG1-CZ2 4.35Å; I433-W537 HydrophobicContact CG2-CZ2 4.37Å; I433-F539 HydrophobicContact CG2-CE1 4.24Å
434	S	88.8	Confident	86.1	Confident	28 Å²	28	44 Å²	44	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.9	-178	51.7	0	0	0	0	111.2	N443	S434-N443 PolarHBondContact N-O 3.44Å; S434-N443 PolarHBondContact O-N 3.46Å
435	Y	87.5	Confident	87.6	Confident	22 Å²	22	35.1 Å²	35.1	9%	0.086	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.6	176.9	-175	-100.3	0	0	0	110.7	Y437 L442 I501 H503 L506	Y435-Y437 AromaticContact CD1-CD1 3.62Å; Y435-Y437 HydrophobicContact CD1-CD1 3.62Å; Y435-Y437 HydrophobicContact CD1-CD2 4.03Å; Y435-Y437 AromaticContact CD1-CE1 3.7Å; Y435-Y437 HydrophobicContact CD1-CE1 3.7Å; Y435-Y437 HydrophobicContact CD1-CE2 4.13Å; Y435-Y437 AromaticContact CD1-CG 3.79Å; Y435-Y437 HydrophobicContact CD1-CG 3.79Å; Y435-Y437 AromaticContact CD1-CZ 3.99Å; Y435-Y437 AromaticContact CE1-CD1 3.42Å; Y435-Y437 HydrophobicContact CE1-CD1 3.42Å; Y435-Y437 VanDerWaalsContact CE1-CD1 3.42Å; Y435-Y437 AromaticContact CE1-CE1 3.83Å; Y435-Y437 HydrophobicContact CE1-CE1 3.83Å; Y435-Y437 AromaticContact CE1-CG 3.8Å; Y435-Y437 HydrophobicContact CE1-CG 3.8Å; Y435-L442 HydrophobicContact CD2-CB 4.23Å; Y435-I501 HydrophobicContact CE2-CG2 4.48Å; Y435-I501 WeakPolarHBondContact CE2-O 3.27Å; Y435-I501 PolarHBondContact OH-O 2.91Å; Y435-H503 HydrophobicContact CE1-CB 3.92Å; Y435-H503 PolarHBondContact OH-N 2.81Å; Y435-H503 VanDerWaalsContact OH-N 3.15Å; Y435-L506 HydrophobicContact CD2-CD2 3.75Å; Y435-L506 HydrophobicContact CE2-CD2 4.28Å; Y435-L506 HydrophobicContact CG-CD2 4.35Å
436	S	87.4	Confident	88.5	Confident	34 Å²	34	33.6 Å²	33.6	24%	0.238	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	92.7	177.2	172.5	0	0	0	0	109.4	K438 T439 G440 A441	S436-K438 PolarHBondContact O-N 2.66Å; S436-T439 VanDerWaalsContact CB-OG1 3.22Å; S436-T439 WeakPolarHBondContact CB-OG1 3.22Å; S436-T439 CarbonylContact O-C 3.58Å; S436-T439 PolarHBondContact O-N 2.77Å; S436-T439 PolarHBondContact O-OG1 3.19Å; S436-T439 PolarHBondContact OG-OG1 2.98Å; S436-G440 PolarHBondContact O-N 3Å; S436-A441 PolarHBondContact N-O 2.88Å; S436-A441 PolarHBondContact O-N 3.41Å
437	Y	84.3	Confident	89.1	Confident	111 Å²	111	33.6 Å²	33.6	44%	0.435	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-52.8	-35.1	174.5	-58.8	-87	0	0	0	112.3	Y435 T439 H503 D540	Y435-Y437 AromaticContact CD1-CD1 3.62Å; Y435-Y437 HydrophobicContact CD1-CD1 3.62Å; Y435-Y437 HydrophobicContact CD1-CD2 4.03Å; Y435-Y437 AromaticContact CD1-CE1 3.7Å; Y435-Y437 HydrophobicContact CD1-CE1 3.7Å; Y435-Y437 HydrophobicContact CD1-CE2 4.13Å; Y435-Y437 AromaticContact CD1-CG 3.79Å; Y435-Y437 HydrophobicContact CD1-CG 3.79Å; Y435-Y437 AromaticContact CD1-CZ 3.99Å; Y435-Y437 AromaticContact CE1-CD1 3.42Å; Y435-Y437 HydrophobicContact CE1-CD1 3.42Å; Y435-Y437 VanDerWaalsContact CE1-CD1 3.42Å; Y435-Y437 AromaticContact CE1-CE1 3.83Å; Y435-Y437 HydrophobicContact CE1-CE1 3.83Å; Y435-Y437 AromaticContact CE1-CG 3.8Å; Y435-Y437 HydrophobicContact CE1-CG 3.8Å; Y437-T439 PolarHBondContact O-N 2.6Å; Y437-H503 HydrophobicContact CE1-CB 4.36Å; Y437-H503 AromaticContact CE1-CG 3.94Å; Y437-D540 WeakPolarHBondContact CE2-OD1 3.36Å; Y437-D540 PolarHBondContact OH-OD2 2.93Å; Y437-D540 VanDerWaalsContact OH-OD2 3.13Å
438	K	82.9	Confident	89.4	Confident	206 Å²	206	37 Å²	37	90%	0.896	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-65.5	-18.1	177.9	-65.5	-175.6	-179.9	179.3	0	114.5	S436	S436-K438 PolarHBondContact O-N 2.66Å
439	T	82.1	Confident	89.5	Confident	81 Å²	81	33.9 Å²	33.9	50%	0.497	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-128.9	7.6	-176.8	61.4	0	0	0	0	113.4	S436 Y437 A441	S436-T439 VanDerWaalsContact CB-OG1 3.22Å; S436-T439 WeakPolarHBondContact CB-OG1 3.22Å; S436-T439 CarbonylContact O-C 3.58Å; S436-T439 PolarHBondContact O-N 2.77Å; S436-T439 PolarHBondContact O-OG1 3.19Å; S436-T439 PolarHBondContact OG-OG1 2.98Å; Y437-T439 PolarHBondContact O-N 2.6Å; T439-A441 VanDerWaalsContact C-N 3.28Å; T439-A441 PolarHBondContact O-N 2.95Å
440	G	85.4	Confident	89.3	Confident	24 Å²	24	40 Å²	40	25%	0.247	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	43.8	-176.4	0	0	0	0	0	113.1	S436 V500 I501	S436-G440 PolarHBondContact O-N 3Å; G440-V500 WeakPolarHBondContact O-CA 3.09Å; G440-I501 CarbonylContact C-O 3.55Å; G440-I501 VanDerWaalsContact C-O 3.28Å; G440-I501 PolarHBondContact O-N 3.15Å
441	A	87.8	Confident	89.1	Confident	1 Å²	1	44 Å²	44	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	129.2	-168.8	0	0	0	0	0	114.7	S436 T439 N443 R498 Y499	S436-A441 PolarHBondContact N-O 2.88Å; S436-A441 PolarHBondContact O-N 3.41Å; T439-A441 VanDerWaalsContact C-N 3.28Å; T439-A441 PolarHBondContact O-N 2.95Å; A441-N443 PolarHBondContact O-ND2 2.74Å; A441-R498 HydrophobicContact CB-CG 4.04Å; A441-Y499 CarbonylContact C-O 3.59Å; A441-Y499 WeakPolarHBondContact CA-O 3.26Å; A441-Y499 WeakPolarHBondContact CB-O 3.07Å
442	L	89.1	Confident	88.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.8	166.8	178.7	73.1	0	0	0	109.6	I433 Y435 V444 R498 Y499 I501 L506 F534 F539	I433-L442 HydrophobicContact CG2-CD1 3.63Å; Y435-L442 HydrophobicContact CD2-CB 4.23Å; L442-V444 HydrophobicContact CD2-CG2 3.88Å; L442-V444 HydrophobicContact CG-CG2 4.03Å; L442-R498 WeakPolarHBondContact O-CA 3.37Å; L442-Y499 HydrophobicContact CD2-CD2 4.46Å; L442-Y499 PolarHBondContact N-O 2.55Å; L442-Y499 PolarHBondContact O-N 3.49Å; L442-I501 HydrophobicContact CB-CG2 4.27Å; L442-L506 HydrophobicContact CD1-CD2 4.1Å; L442-L506 HydrophobicContact CD2-CD1 3.96Å; L442-F534 HydrophobicContact CD2-CE2 4.01Å; L442-F534 HydrophobicContact CD2-CZ 4.04Å; L442-F539 HydrophobicContact CD1-CD1 4.38Å; L442-F539 HydrophobicContact CD1-CE1 3.9Å
443	N	90.3	Very high	88.4	Confident	17 Å²	17	44.3 Å²	44.3	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.8	174	-61.7	-87	0	0	0	108.4	S434 A441 N496 R498	S434-N443 PolarHBondContact N-O 3.44Å; S434-N443 PolarHBondContact O-N 3.46Å; A441-N443 PolarHBondContact O-ND2 2.74Å; N443-N496 WeakPolarHBondContact CA-OD1 3.29Å; N443-N496 WeakPolarHBondContact CB-OD1 3.44Å; N443-N496 PolarHBondContact OD1-ND2 3.49Å; N443-R498 PolarHBondContact OD1-NE 3.06Å
444	V	91.9	Very high	87.9	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	94.1	176.2	-178.5	0	0	0	0	107.8	I433 L442 V446 N496 L497 Y499 L511	I433-V444 HydrophobicContact CG1-CG1 4.48Å; L442-V444 HydrophobicContact CD2-CG2 3.88Å; L442-V444 HydrophobicContact CG-CG2 4.03Å; V444-V446 PolarHBondContact O-N 2.92Å; V444-N496 PolarHBondContact N-OD1 2.84Å; V444-L497 HydrophobicContact CB-CB 4.38Å; V444-L497 PolarHBondContact N-O 3.36Å; V444-L497 PolarHBondContact O-N 2.88Å; V444-Y499 HydrophobicContact CG2-CD2 4.41Å; V444-Y499 HydrophobicContact CG2-CE2 4.39Å; V444-L511 HydrophobicContact CB-CD2 4.46Å; V444-L511 HydrophobicContact CG1-CD2 3.86Å; V444-L511 HydrophobicContact CG2-CD1 4.14Å; V444-L511 HydrophobicContact CG2-CD2 3.68Å
445	L	92.1	Very high	87	Confident	42 Å²	42	45.1 Å²	45.1	22%	0.22	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	105.3	178	173	61.2	0	0	0	109.9	N432 K447 N496	N432-L445 HydrophobicContact CB-CB 4.16Å; N432-L445 HydrophobicContact CB-CD2 4.31Å; N432-L445 HydrophobicContact CB-CG 4.46Å; N432-L445 PolarHBondContact N-O 2.95Å; N432-L445 WeakPolarHBondContact O-CB 3.34Å; N432-L445 PolarHBondContact O-N 3.01Å; L445-K447 HydrophobicContact CD2-CG 4.17Å; L445-K447 HydrophobicContact CG-CG 3.96Å; L445-K447 PolarHBondContact O-N 3.38Å; L445-N496 HydrophobicContact CD1-CB 4.37Å
446	V	93.3	Very high	86.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	104.7	172	-176.6	0	0	0	0	108.1	I429 L431 V444 V466 T482 F493 N494 E495 L497	I429-V446 HydrophobicContact CD1-CG1 4.17Å; L431-V446 HydrophobicContact CD2-CB 4.31Å; L431-V446 HydrophobicContact CD2-CG1 4.33Å; L431-V446 HydrophobicContact CD2-CG2 3.93Å; V444-V446 PolarHBondContact O-N 2.92Å; V446-V466 HydrophobicContact CG1-CB 4.41Å; V446-V466 HydrophobicContact CG1-CG2 3.93Å; V446-T482 HydrophobicContact CB-CG2 4.05Å; V446-T482 HydrophobicContact CG1-CG2 4.08Å; V446-T482 HydrophobicContact CG2-CG2 4.15Å; V446-F493 HydrophobicContact CB-CB 4.49Å; V446-F493 HydrophobicContact CG1-CB 4.07Å; V446-F493 HydrophobicContact CG1-CD2 3.72Å; V446-F493 HydrophobicContact CG1-CG 4.12Å; V446-N494 VanDerWaalsContact O-CA 3.28Å; V446-N494 WeakPolarHBondContact O-CA 3.23Å; V446-N494 PolarHBondContact O-N 2.76Å; V446-E495 PolarHBondContact N-O 2.9Å; V446-E495 PolarHBondContact O-N 2.85Å; V446-L497 HydrophobicContact CG2-CD1 3.96Å; V446-L497 HydrophobicContact CG2-CG 4.36Å
447	K	91.8	Very high	85.1	Confident	47 Å²	47	49 Å²	49	20%	0.204	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-65.8	-178.7	-72.6	-173.4	160.2	-170.3	0	111.6	L430 L445 F493 N494 E544	L430-K447 HydrophobicContact CB-CB 4.42Å; L430-K447 HydrophobicContact CD2-CB 4.36Å; L430-K447 HydrophobicContact CD2-CD 4.42Å; L430-K447 HydrophobicContact CG-CB 4.26Å; L430-K447 HydrophobicContact CG-CD 4.47Å; L430-K447 PolarHBondContact O-N 3.11Å; L445-K447 HydrophobicContact CD2-CG 4.17Å; L445-K447 HydrophobicContact CG-CG 3.96Å; L445-K447 PolarHBondContact O-N 3.38Å; K447-F493 PolarHBondContact O-N 3.17Å; K447-N494 WeakPolarHBondContact CA-OD1 3.2Å; K447-N494 PolarHBondContact O-N 3.43Å; K447-N494 PolarHBondContact O-OD1 3.18Å; K447-E544 HydrophobicContact CD-CG 4.3Å; K447-E544 WeakPolarHBondContact CD-OE1 3.4Å; K447-E544 WeakPolarHBondContact CE-OE1 3.49Å; K447-E544 IonicContact NZ-OE1 2.82Å; K447-E544 PolarHBondContact NZ-OE1 3.05Å; K447-E544 IonicContact NZ-OE2 2.76Å; K447-E544 PolarHBondContact NZ-OE2 2.65Å
448	K	91.9	Very high	84.3	Confident	82 Å²	82	55.3 Å²	55.3	36%	0.357	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	158.3	-176.6	55.6	176.2	172.7	171.2	0	111.3	L430 P491 V492 W546	L430-K448 HydrophobicContact CB-CG 3.9Å; L430-K448 WeakPolarHBondContact CB-O 3.42Å; L430-K448 HydrophobicContact CD2-CD 4.26Å; L430-K448 HydrophobicContact CD2-CG 3.95Å; L430-K448 PolarHBondContact N-O 3.34Å; K448-P491 CarbonylContact C-O 3.56Å; K448-P491 WeakPolarHBondContact CA-O 3.37Å; K448-P491 WeakPolarHBondContact CB-O 3.5Å; K448-V492 HydrophobicContact CB-CB 4.41Å; K448-V492 HydrophobicContact CB-CG2 4.06Å; K448-W546 HydrophobicContact CD-CH2 3.99Å; K448-W546 HydrophobicContact CD-CZ2 4.46Å; K448-W546 VanDerWaalsContact CE-CZ2 3.5Å; K448-W546 HydrophobicContact CG-CH2 4.07Å
449	C	92.4	Very high	83.6	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	159.2	159.5	-48.6	0	0	0	0	110.3	E428 L452 N490 P491	E428-C449 CarbonylContact O-C 3.08Å; E428-C449 WeakPolarHBondContact O-CA 3.34Å; E428-C449 WeakPolarHBondContact O-CB 3.31Å; C449-L452 HydrophobicContact CB-CD1 3.79Å; C449-L452 HydrophobicContact CB-CD2 3.68Å; C449-L452 HydrophobicContact CB-CG 3.68Å; C449-N490 CarbonylContact O-C 3.47Å; C449-N490 WeakPolarHBondContact O-CA 3Å; C449-P491 HydrophobicContact CB-CG 3.81Å; C449-P491 PolarHBondContact N-O 2.9Å
450	Y	90.8	Very high	83	Confident	129 Å²	129	54.1 Å²	54.1	51%	0.506	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.5	176.6	-174.9	-111.3	0	0	0	110.5	G427 E428 L452 N490	G427-Y450 CarbonylContact C-O 3.54Å; G427-Y450 WeakPolarHBondContact CA-O 3.47Å; E428-Y450 PolarHBondContact N-O 2.82Å; E428-Y450 PolarHBondContact O-N 2.91Å; Y450-L452 VanDerWaalsContact C-N 3.29Å; Y450-L452 PolarHBondContact O-N 3.29Å; Y450-N490 WeakPolarHBondContact CA-OD1 3.3Å; Y450-N490 WeakPolarHBondContact CD2-OD1 3.42Å
451	N	87.6	Confident	82.6	Confident	90 Å²	90	58.7 Å²	58.7	48%	0.481	26%	0.262	S	S	.	.	S	Bend	trans	51.6	39.3	174.7	-164.5	50.6	0	0	0	114.8	S426 G427 I489 N490	S426-N451 CarbonylContact C-O 3.56Å; G427-N451 WeakPolarHBondContact CA-O 3.21Å; G427-N451 PolarHBondContact N-O 2.84Å; N451-I489 PolarHBondContact N-O 3.26Å; N451-N490 PolarHBondContact N-OD1 3.39Å
452	L	86.6	Confident	82.3	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.031	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.2	145.9	178.2	-68.2	-176	0	0	0	112.5	S426 C449 Y450 A464 I489 P491 V515 L527 L549	S426-L452 CarbonylContact O-C 3.6Å; S426-L452 WeakPolarHBondContact O-CA 3.46Å; C449-L452 HydrophobicContact CB-CD1 3.79Å; C449-L452 HydrophobicContact CB-CD2 3.68Å; C449-L452 HydrophobicContact CB-CG 3.68Å; Y450-L452 VanDerWaalsContact C-N 3.29Å; Y450-L452 PolarHBondContact O-N 3.29Å; L452-A464 HydrophobicContact CD1-CB 3.83Å; L452-I489 HydrophobicContact CB-CB 4.46Å; L452-I489 WeakPolarHBondContact CB-O 3.25Å; L452-I489 PolarHBondContact N-O 3.31Å; L452-I489 WeakPolarHBondContact O-CB 3.35Å; L452-I489 VanDerWaalsContact O-CG2 3.3Å; L452-I489 WeakPolarHBondContact O-CG2 3.42Å; L452-P491 HydrophobicContact CD1-CG 3.59Å; L452-V515 HydrophobicContact CD1-CG1 3.89Å; L452-V515 HydrophobicContact CD2-CG1 4.12Å; L452-L527 HydrophobicContact CD1-CD1 4.43Å; L452-L549 HydrophobicContact CD2-CD1 3.38Å
453	A	83.4	Confident	82.2	Confident	5 Å²	5	59.4 Å²	59.4	4%	0.041	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-51.5	149.8	169.7	0	0	0	0	0	113.5	R424 S426 G455 T462 L527	R424-A453 WeakPolarHBondContact O-CB 3.37Å; S426-A453 PolarHBondContact O-N 3.23Å; S426-A453 VanDerWaalsContact O-N 3.08Å; A453-G455 PolarHBondContact O-N 3.15Å; A453-T462 PolarHBondContact O-OG1 3.01Å; A453-L527 HydrophobicContact CB-CD2 4.18Å
454	T	79.5	Confident	82.2	Confident	39 Å²	39	58.6 Å²	58.6	24%	0.239	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.4	118.9	170.9	-60.8	0	0	0	0	109.9	T462	T454-T462 WeakPolarHBondContact CA-OG1 3.42Å
455	G	68.3	Low	82.2	Confident	10 Å²	10	59.4 Å²	59.4	10%	0.103	27%	0.265	C	S	.	.	S	Bend	trans	-79.7	-32.7	-177.2	0	0	0	0	0	114.9	A453 R461 T462 H517 S525	A453-G455 PolarHBondContact O-N 3.15Å; G455-R461 PolarHBondContact N-O 3.11Å; G455-T462 PolarHBondContact N-OG1 3.03Å; G455-H517 VanDerWaalsContact C-CD2 3.4Å; G455-H517 PolarHBondContact O-CD2 2.85Å; G455-S525 PolarHBondContact O-OG 2.97Å
456	D	71.9	Confident	82.2	Confident	24 Å²	24	57.4 Å²	57.4	13%	0.128	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-124.7	96.6	174.6	175.8	-3.2	0	0	0	109.3	R458 R459 Q460 R461	D456-R458 PolarHBondContact O-N 2.9Å; D456-R458 WeakPolarHBondContact OD1-CA 3.45Å; D456-R458 WeakPolarHBondContact OD1-CB 3.04Å; D456-R458 PolarHBondContact OD1-N 2.74Å; D456-R459 PolarHBondContact O-N 2.88Å; D456-R459 PolarHBondContact OD1-N 2.96Å; D456-R459 VanDerWaalsContact OD1-N 3.17Å; D456-R459 WeakPolarHBondContact OD2-CB 3.34Å; D456-R459 WeakPolarHBondContact OD2-CD 3.38Å; D456-R459 WeakPolarHBondContact OD2-CG 3.24Å; D456-R459 IonicContact OD2-CZ 3.71Å; D456-R459 IonicContact OD2-NE 2.69Å; D456-R459 IonicContact OD2-NH1 3.25Å; D456-R459 PolarHBondContact OD2-NH1 2.92Å; D456-Q460 WeakPolarHBondContact O-CA 3.31Å; D456-Q460 PolarHBondContact O-N 2.99Å; D456-R461 PolarHBondContact N-O 3.15Å; D456-R461 PolarHBondContact O-N 2.97Å
457	D	64.9	Low	82.1	Confident	114 Å²	114	57.5 Å²	57.5	61%	0.61	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.9	177.5	-84.7	-43	0	0	0	113.4	R459 Q460	D457-R459 VanDerWaalsContact C-N 3.33Å; D457-Q460 PolarHBondContact O-NE2 2.93Å
458	R	65.9	Low	82.1	Confident	242 Å²	242	55.2 Å²	55.2	91%	0.913	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-23.8	-176.2	-59.3	178.2	173.2	-178.9	-1.8	112.2	D456	D456-R458 PolarHBondContact O-N 2.9Å; D456-R458 WeakPolarHBondContact OD1-CA 3.45Å; D456-R458 WeakPolarHBondContact OD1-CB 3.04Å; D456-R458 PolarHBondContact OD1-N 2.74Å
459	R	68.6	Low	81.9	Confident	139 Å²	139	53 Å²	53	53%	0.525	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-10.6	177.7	-62.7	-172.6	-178.8	124	-10.2	114.1	D456 D457 R461	D456-R459 PolarHBondContact O-N 2.88Å; D456-R459 PolarHBondContact OD1-N 2.96Å; D456-R459 VanDerWaalsContact OD1-N 3.17Å; D456-R459 WeakPolarHBondContact OD2-CB 3.34Å; D456-R459 WeakPolarHBondContact OD2-CD 3.38Å; D456-R459 WeakPolarHBondContact OD2-CG 3.24Å; D456-R459 IonicContact OD2-CZ 3.71Å; D456-R459 IonicContact OD2-NE 2.69Å; D456-R459 IonicContact OD2-NH1 3.25Å; D456-R459 PolarHBondContact OD2-NH1 2.92Å; D457-R459 VanDerWaalsContact C-N 3.33Å; R459-R461 HydrophobicContact CB-CB 4.42Å; R459-R461 HydrophobicContact CB-CG 3.96Å
460	Q	69.1	Low	81.7	Confident	124 Å²	124	53.1 Å²	53.1	58%	0.579	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	55.5	-169.7	-65.5	-63.7	-51.9	0	0	111.5	D456 D457	D456-Q460 WeakPolarHBondContact O-CA 3.31Å; D456-Q460 PolarHBondContact O-N 2.99Å; D457-Q460 PolarHBondContact O-NE2 2.93Å
461	R	76.8	Confident	81.2	Confident	120 Å²	120	48.5 Å²	48.5	45%	0.453	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-133	149.5	-178.5	-62.5	-173.4	179.7	-133.7	-0.4	111.8	G455 D456 R459 N487	G455-R461 PolarHBondContact N-O 3.11Å; D456-R461 PolarHBondContact N-O 3.15Å; D456-R461 PolarHBondContact O-N 2.97Å; R459-R461 HydrophobicContact CB-CB 4.42Å; R459-R461 HydrophobicContact CB-CG 3.96Å; R461-N487 WeakPolarHBondContact CD-OD1 3.43Å; R461-N487 VanDerWaalsContact CG-OD1 3.31Å; R461-N487 WeakPolarHBondContact CG-OD1 3.4Å; R461-N487 PolarHBondContact NE-OD1 3.39Å; R461-N487 PolarHBondContact NH1-OD1 3.37Å
462	T	82	Confident	80.3	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	23%	0.229	C	C	.	.			trans	-134	103.4	170.5	-56.3	0	0	0	0	108.1	A453 T454 G455 A464 N487 T488 L527	A453-T462 PolarHBondContact O-OG1 3.01Å; T454-T462 WeakPolarHBondContact CA-OG1 3.42Å; G455-T462 PolarHBondContact N-OG1 3.03Å; T462-A464 HydrophobicContact CG2-CB 4.07Å; T462-A464 PolarHBondContact O-N 2.83Å; T462-N487 WeakPolarHBondContact O-CA 3.44Å; T462-N487 PolarHBondContact O-N 2.97Å; T462-N487 VanDerWaalsContact O-N 3.12Å; T462-T488 PolarHBondContact O-N 3.49Å; T462-L527 HydrophobicContact CG2-CD1 3.47Å; T462-L527 VanDerWaalsContact CG2-CD1 3.47Å; T462-L527 HydrophobicContact CG2-CD2 4.38Å
463	D	87.3	Confident	79.4	Confident	13 Å²	13	51.8 Å²	51.8	7%	0.07	24%	0.242	C	C	.	.			trans	-87.8	93.3	165.5	-66.8	3.7	0	0	0	106.6	I484 R485 P486 N487 H517 H518 R520	D463-I484 HydrophobicContact CB-CG2 4.25Å; D463-R485 CarbonylContact C-O 3.58Å; D463-R485 WeakPolarHBondContact CA-O 3.26Å; D463-P486 HydrophobicContact CB-CB 4.49Å; D463-P486 WeakPolarHBondContact OD1-CA 3.38Å; D463-N487 PolarHBondContact OD1-N 2.95Å; D463-H517 PolarHBondContact N-CE1 3.28Å; D463-H517 VanDerWaalsContact N-CE1 3.32Å; D463-H517 PolarHBondContact N-ND1 3.25Å; D463-H517 CarbonylContact O-C 3.26Å; D463-H517 VanDerWaalsContact O-CA 3.31Å; D463-H517 WeakPolarHBondContact O-CA 3.37Å; D463-H517 PolarHBondContact O-ND1 3.18Å; D463-H518 PolarHBondContact O-N 3.19Å; D463-R520 IonicContact OD2-NH2 2.61Å; D463-R520 PolarHBondContact OD2-NH2 3.24Å
464	A	89.4	Confident	78.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145	-167	0	0	0	0	0	113.7	L452 T462 I484 R485 P491 F493 W516 L527	L452-A464 HydrophobicContact CD1-CB 3.83Å; T462-A464 HydrophobicContact CG2-CB 4.07Å; T462-A464 PolarHBondContact O-N 2.83Å; A464-I484 WeakPolarHBondContact O-CA 3.46Å; A464-R485 PolarHBondContact N-O 2.84Å; A464-R485 PolarHBondContact O-N 3.39Å; A464-P491 HydrophobicContact CB-CB 4.16Å; A464-P491 HydrophobicContact CB-CG 3.86Å; A464-F493 HydrophobicContact CB-CZ 4.34Å; A464-W516 CarbonylContact C-O 3.58Å; A464-W516 WeakPolarHBondContact CA-O 3.41Å; A464-L527 HydrophobicContact CB-CD1 4.47Å
465	Y	92.7	Very high	77.8	Confident	16 Å²	16	56.8 Å²	56.8	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.7	166.4	71.2	-80.8	0	0	0	111.5	K467 I484 W516 H518 N524	Y465-K467 HydrophobicContact CD2-CG 4.32Å; Y465-K467 HydrophobicContact CE2-CD 4.39Å; Y465-K467 HydrophobicContact CE2-CG 3.8Å; Y465-K467 PolarHBondContact OH-NZ 2.71Å; Y465-I484 HydrophobicContact CD1-CG1 4.27Å; Y465-I484 HydrophobicContact CG-CG1 4.21Å; Y465-W516 HydrophobicContact CD1-CB 4.02Å; Y465-W516 VanDerWaalsContact CD1-O 3.31Å; Y465-W516 WeakPolarHBondContact CD1-O 3.49Å; Y465-W516 HydrophobicContact CD2-CB 4.49Å; Y465-W516 HydrophobicContact CE1-CB 3.48Å; Y465-W516 VanDerWaalsContact CE1-CB 3.48Å; Y465-W516 HydrophobicContact CE2-CB 4.01Å; Y465-W516 HydrophobicContact CE2-CG 4.39Å; Y465-W516 HydrophobicContact CG-CB 4.5Å; Y465-W516 VanDerWaalsContact CZ-CB 3.47Å; Y465-W516 PolarHBondContact N-O 2.73Å; Y465-W516 PolarHBondContact O-N 2.81Å; Y465-H518 HydrophobicContact CD1-CB 3.85Å; Y465-H518 HydrophobicContact CE1-CB 3.78Å; Y465-N524 PolarHBondContact OH-ND2 3.18Å
466	V	92.4	Very high	77.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.8	179.4	-170.3	0	0	0	0	110	I429 V446 T468 K481 T482 F493 V513 S514 V515	I429-V466 HydrophobicContact CD1-CG1 4Å; I429-V466 HydrophobicContact CD1-CG2 3.93Å; V446-V466 HydrophobicContact CG1-CB 4.41Å; V446-V466 HydrophobicContact CG1-CG2 3.93Å; V466-T468 HydrophobicContact CG1-CG2 4.36Å; V466-K481 CarbonylContact O-C 3.51Å; V466-K481 VanDerWaalsContact O-CA 3.22Å; V466-K481 WeakPolarHBondContact O-CA 3.19Å; V466-T482 HydrophobicContact CB-CG2 3.89Å; V466-T482 HydrophobicContact CG2-CG2 4.34Å; V466-T482 PolarHBondContact N-OG1 3.16Å; V466-T482 PolarHBondContact O-N 3.3Å; V466-F493 HydrophobicContact CG2-CD2 4.16Å; V466-F493 HydrophobicContact CG2-CE2 3.66Å; V466-F493 HydrophobicContact CG2-CZ 3.92Å; V466-V513 HydrophobicContact CG1-CG1 3.57Å; V466-S514 WeakPolarHBondContact CA-O 3.44Å; V466-V515 HydrophobicContact CG2-CG2 4.25Å
467	K	91.4	Very high	76.8	Confident	2 Å²	2	71 Å²	71	1%	0.009	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.4	165.6	-58.2	-175.9	-175.7	85	0	108.5	Y465 Y469 R480 S514 W516	Y465-K467 HydrophobicContact CD2-CG 4.32Å; Y465-K467 HydrophobicContact CE2-CD 4.39Å; Y465-K467 HydrophobicContact CE2-CG 3.8Å; Y465-K467 PolarHBondContact OH-NZ 2.71Å; K467-Y469 HydrophobicContact CB-CE2 4.3Å; K467-Y469 HydrophobicContact CD-CE2 4.43Å; K467-R480 WeakPolarHBondContact CA-O 3.17Å; K467-S514 PolarHBondContact N-O 3.49Å; K467-S514 PolarHBondContact O-N 3.37Å; K467-W516 VanDerWaalsContact NZ-NE1 3.11Å
468	T	91.3	Very high	77.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.4	168.9	61.4	0	0	0	0	111.5	V466 K479 R480 L497 Y499 Q512 V513	V466-T468 HydrophobicContact CG1-CG2 4.36Å; T468-K479 WeakPolarHBondContact O-CA 2.94Å; T468-R480 PolarHBondContact N-O 2.85Å; T468-R480 PolarHBondContact O-N 3.05Å; T468-R480 WeakPolarHBondContact OG1-CB 3.04Å; T468-L497 HydrophobicContact CG2-CD1 3.81Å; T468-L497 WeakPolarHBondContact OG1-CD1 3.49Å; T468-Y499 WeakPolarHBondContact CB-OH 3.42Å; T468-Y499 PolarHBondContact O-OH 2.82Å; T468-Y499 PolarHBondContact OG1-OH 2.93Å; T468-Q512 CarbonylContact C-O 3.59Å; T468-Q512 VanDerWaalsContact CA-O 3.28Å; T468-Q512 WeakPolarHBondContact CA-O 3.33Å; T468-V513 HydrophobicContact CG2-CB 4.24Å; T468-V513 HydrophobicContact CG2-CG1 3.97Å; T468-V513 HydrophobicContact CG2-CG2 3.9Å
469	Y	88.6	Confident	78	Confident	36 Å²	36	56.2 Å²	56.2	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.3	174.4	-56.5	-86.7	0	0	0	109.1	K467 K479 Q512	K467-Y469 HydrophobicContact CB-CE2 4.3Å; K467-Y469 HydrophobicContact CD-CE2 4.43Å; Y469-K479 HydrophobicContact CD1-CB 3.85Å; Y469-K479 HydrophobicContact CD1-CG 4.05Å; Y469-K479 HydrophobicContact CE1-CB 3.56Å; Y469-K479 HydrophobicContact CE1-CD 3.73Å; Y469-K479 HydrophobicContact CE1-CG 3.43Å; Y469-K479 VanDerWaalsContact CE1-CG 3.43Å; Y469-Q512 PolarHBondContact N-O 2.81Å; Y469-Q512 PolarHBondContact O-N 2.9Å
470	L	86.6	Confident	78.8	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	84.8	177.4	-172.6	61.6	0	0	0	109.4	D473 S478 Y499 I501 L506 R509 L511 F534	L470-D473 WeakPolarHBondContact O-CB 3.43Å; L470-D473 PolarHBondContact O-N 2.86Å; L470-S478 PolarHBondContact N-OG 3.42Å; L470-Y499 HydrophobicContact CB-CD1 3.81Å; L470-Y499 HydrophobicContact CB-CE1 3.6Å; L470-Y499 HydrophobicContact CD2-CD1 3.79Å; L470-Y499 HydrophobicContact CD2-CE1 4.44Å; L470-Y499 HydrophobicContact CD2-CG 4.17Å; L470-Y499 HydrophobicContact CG-CD1 4.45Å; L470-I501 HydrophobicContact CD2-CD1 3.65Å; L470-I501 HydrophobicContact CD2-CG2 4.39Å; L470-L506 HydrophobicContact CD1-CD1 4.18Å; L470-L506 HydrophobicContact CD2-CD1 4.47Å; L470-R509 HydrophobicContact CD1-CB 4.02Å; L470-R509 HydrophobicContact CG-CB 4.33Å; L470-L511 HydrophobicContact CD1-CB 4.46Å; L470-F534 HydrophobicContact CD1-CD2 4.35Å; L470-F534 HydrophobicContact CD1-CE2 3.82Å
471	L	81.5	Confident	79.8	Confident	32 Å²	32	52.6 Å²	52.6	17%	0.168	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	146.4	-174.7	-57.1	-177.5	0	0	0	111	D473 T474 R509 T510 Q512	L471-D473 VanDerWaalsContact C-N 3.32Å; L471-T474 HydrophobicContact CD2-CG2 3.67Å; L471-R509 WeakPolarHBondContact O-CA 3.29Å; L471-R509 WeakPolarHBondContact O-CB 3.13Å; L471-R509 WeakPolarHBondContact O-CD 3.49Å; L471-R509 WeakPolarHBondContact O-CG 3.23Å; L471-T510 WeakPolarHBondContact CB-O 3.22Å; L471-T510 PolarHBondContact N-O 2.85Å; L471-T510 PolarHBondContact O-N 2.84Å; L471-Q512 HydrophobicContact CD1-CB 4Å; L471-Q512 HydrophobicContact CG-CB 4.16Å
472	P	68.3	Low	80.5	Confident	108 Å²	108	47.2 Å²	47.2	70%	0.701	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	cis	-79.5	0.7	8.4	32.9	-37.2	0	0	0	115	T474	P472-T474 PolarHBondContact O-N 2.81Å
473	D	66.9	Low	80.8	Confident	57 Å²	57	49 Å²	49	31%	0.305	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-76	91.7	178.4	-174.9	-2	0	0	0	111.1	L470 L471 S475 S478	L470-D473 WeakPolarHBondContact O-CB 3.43Å; L470-D473 PolarHBondContact O-N 2.86Å; L471-D473 VanDerWaalsContact C-N 3.32Å; D473-S475 WeakPolarHBondContact OD1-CA 3.38Å; D473-S475 WeakPolarHBondContact OD1-CB 3.22Å; D473-S475 PolarHBondContact OD1-N 3.33Å; D473-S475 PolarHBondContact OD1-OG 2.88Å; D473-S478 WeakPolarHBondContact O-CB 3.46Å; D473-S478 PolarHBondContact O-OG 2.69Å; D473-S478 WeakPolarHBondContact OD1-CB 3.34Å; D473-S478 WeakPolarHBondContact OD2-CB 3.15Å
474	T	67.4	Low	80.9	Confident	104 Å²	104	51.6 Å²	51.6	64%	0.638	26%	0.258	S	S	*	.			trans	-82.4	4.5	171.5	56.3	0	0	0	0	113.1	L471 P472	L471-T474 HydrophobicContact CD2-CG2 3.67Å; P472-T474 PolarHBondContact O-N 2.81Å
475	S	62.3	Low	80.9	Confident	45 Å²	45	56 Å²	56	32%	0.315	27%	0.274	S	S	.	.	S	Bend	trans	-66.5	162.8	-173.7	79.9	0	0	0	0	113	D473 Q477 S478 K479	D473-S475 WeakPolarHBondContact OD1-CA 3.38Å; D473-S475 WeakPolarHBondContact OD1-CB 3.22Å; D473-S475 PolarHBondContact OD1-N 3.33Å; D473-S475 PolarHBondContact OD1-OG 2.88Å; S475-Q477 PolarHBondContact O-N 3.37Å; S475-Q477 VanDerWaalsContact O-N 3.11Å; S475-Q477 PolarHBondContact OG-N 2.9Å; S475-Q477 VanDerWaalsContact OG-N 3.15Å; S475-S478 PolarHBondContact O-N 2.9Å; S475-S478 PolarHBondContact OG-N 2.94Å; S475-K479 PolarHBondContact O-N 3.08Å; S475-K479 VanDerWaalsContact O-N 3.11Å
476	R	59.3	Low	80.6	Confident	167 Å²	167	59 Å²	59	63%	0.63	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.2	171.3	-63.1	-173.3	-178	-179.3	6.4	113.6	M413	M413-R476 VanDerWaalsContact CG-NH2 3.27Å; M413-R476 PolarHBondContact SD-NH2 3.48Å
477	Q	60.3	Low	80.1	Confident	165 Å²	165	63 Å²	63	77%	0.771	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-30.3	178.7	-58.6	-170.1	15.7	0	0	112.4	S475 R480	S475-Q477 PolarHBondContact O-N 3.37Å; S475-Q477 VanDerWaalsContact O-N 3.11Å; S475-Q477 PolarHBondContact OG-N 2.9Å; S475-Q477 VanDerWaalsContact OG-N 3.15Å; Q477-R480 PolarHBondContact O-NH1 2.64Å; Q477-R480 PolarHBondContact O-NH2 2.96Å; Q477-R480 VanDerWaalsContact O-NH2 3.15Å
478	S	72	Confident	79.9	Confident	5 Å²	5	65 Å²	65	4%	0.035	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-40	169.1	154.5	0	0	0	0	111.9	L470 D473 S475 R480 Y499	L470-S478 PolarHBondContact N-OG 3.42Å; D473-S478 WeakPolarHBondContact O-CB 3.46Å; D473-S478 PolarHBondContact O-OG 2.69Å; D473-S478 WeakPolarHBondContact OD1-CB 3.34Å; D473-S478 WeakPolarHBondContact OD2-CB 3.15Å; S475-S478 PolarHBondContact O-N 2.9Å; S475-S478 PolarHBondContact OG-N 2.94Å; S478-R480 PolarHBondContact O-N 3.33Å; S478-R480 PolarHBondContact O-NH1 2.79Å; S478-Y499 WeakPolarHBondContact O-CE1 3.32Å; S478-Y499 PolarHBondContact O-OH 3.31Å
479	K	82.9	Confident	79.6	Confident	42 Å²	42	68.3 Å²	68.3	18%	0.183	35%	0.347	C	S	.	.			trans	-51.4	126.7	-178	-170.9	-179.2	177.7	-143.8	0	113.6	S412 T468 Y469 S475	S412-K479 PolarHBondContact OG-NZ 3.21Å; T468-K479 WeakPolarHBondContact O-CA 2.94Å; Y469-K479 HydrophobicContact CD1-CB 3.85Å; Y469-K479 HydrophobicContact CD1-CG 4.05Å; Y469-K479 HydrophobicContact CE1-CB 3.56Å; Y469-K479 HydrophobicContact CE1-CD 3.73Å; Y469-K479 HydrophobicContact CE1-CG 3.43Å; Y469-K479 VanDerWaalsContact CE1-CG 3.43Å; S475-K479 PolarHBondContact O-N 3.08Å; S475-K479 VanDerWaalsContact O-N 3.11Å
480	R	86.6	Confident	79.6	Confident	81 Å²	81	69.8 Å²	69.8	31%	0.306	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	165.9	163.5	-55.1	-73.5	170	-89	-4.9	110	K467 T468 Q477 S478 L497 R498 Y499	K467-R480 WeakPolarHBondContact CA-O 3.17Å; T468-R480 PolarHBondContact N-O 2.85Å; T468-R480 PolarHBondContact O-N 3.05Å; T468-R480 WeakPolarHBondContact OG1-CB 3.04Å; Q477-R480 PolarHBondContact O-NH1 2.64Å; Q477-R480 PolarHBondContact O-NH2 2.96Å; Q477-R480 VanDerWaalsContact O-NH2 3.15Å; S478-R480 PolarHBondContact O-N 3.33Å; S478-R480 PolarHBondContact O-NH1 2.79Å; R480-L497 HydrophobicContact CB-CB 3.94Å; R480-L497 HydrophobicContact CB-CD1 4Å; R480-L497 HydrophobicContact CB-CD2 4.24Å; R480-L497 HydrophobicContact CB-CG 4.28Å; R480-L497 HydrophobicContact CG-CB 4.25Å; R480-R498 PolarHBondContact NE-O 3.04Å; R480-Y499 HydrophobicContact CB-CE2 4.49Å; R480-Y499 HydrophobicContact CG-CD2 4.49Å; R480-Y499 HydrophobicContact CG-CE1 4.19Å; R480-Y499 HydrophobicContact CG-CE2 3.74Å; R480-Y499 WeakPolarHBondContact CG-OH 3.26Å
481	K	88.9	Confident	79.7	Confident	105 Å²	105	69.7 Å²	69.7	46%	0.457	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.6	176.3	59.2	162.5	-173.2	169.1	0	111.1	V466 L497	V466-K481 CarbonylContact O-C 3.51Å; V466-K481 VanDerWaalsContact O-CA 3.22Å; V466-K481 WeakPolarHBondContact O-CA 3.19Å; K481-L497 WeakPolarHBondContact O-CD2 3.25Å
482	T	91.6	Very high	80.2	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.043	37%	0.37	C	S	.	.			trans	-82.5	175.8	168.7	62.1	0	0	0	0	111.8	V446 V466 F493 E495 L497	V446-T482 HydrophobicContact CB-CG2 4.05Å; V446-T482 HydrophobicContact CG1-CG2 4.08Å; V446-T482 HydrophobicContact CG2-CG2 4.15Å; V466-T482 HydrophobicContact CB-CG2 3.89Å; V466-T482 HydrophobicContact CG2-CG2 4.34Å; V466-T482 PolarHBondContact N-OG1 3.16Å; V466-T482 PolarHBondContact O-N 3.3Å; T482-F493 HydrophobicContact CG2-CB 4.22Å; T482-F493 HydrophobicContact CG2-CD1 4Å; T482-F493 HydrophobicContact CG2-CG 4.07Å; T482-F493 WeakPolarHBondContact OG1-CD1 3.33Å; T482-F493 WeakPolarHBondContact OG1-CE1 2.98Å; T482-E495 WeakPolarHBondContact CA-OE2 3.4Å; T482-E495 HydrophobicContact CG2-CB 4.33Å; T482-L497 HydrophobicContact CG2-CD1 4.44Å
483	S	89.3	Confident	81.2	Confident	42 Å²	42	66.7 Å²	66.7	29%	0.294	34%	0.337	S	S	.	.			trans	-60.7	164.5	155.6	75.5	0	0	0	0	111.7	R485 F493 E495	S483-R485 PolarHBondContact OG-NH1 2.81Å; S483-F493 WeakPolarHBondContact O-CE1 3.45Å; S483-E495 VanDerWaalsContact CB-OE1 3.24Å; S483-E495 WeakPolarHBondContact CB-OE1 3.28Å; S483-E495 VanDerWaalsContact N-CD 3.31Å; S483-E495 PolarHBondContact N-OE1 2.78Å; S483-E495 PolarHBondContact N-OE2 3.33Å; S483-E495 PolarHBondContact OG-OE1 2.61Å
484	I	89.7	Confident	82.4	Confident	66 Å²	66	69 Å²	69	34%	0.338	35%	0.349	S	S	.	.			trans	-94.8	127.9	175.1	-59.1	159.7	0	0	0	108.2	D463 A464 Y465 P486 H518	D463-I484 HydrophobicContact CB-CG2 4.25Å; A464-I484 WeakPolarHBondContact O-CA 3.46Å; Y465-I484 HydrophobicContact CD1-CG1 4.27Å; Y465-I484 HydrophobicContact CG-CG1 4.21Å; I484-P486 WeakPolarHBondContact O-CD 3.46Å; I484-H518 HydrophobicContact CD1-CB 4.12Å; I484-H518 HydrophobicContact CG1-CB 4.46Å; I484-H518 HydrophobicContact CG2-CB 4.14Å
485	R	89.8	Confident	83.5	Confident	93 Å²	93	66.2 Å²	66.2	35%	0.351	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-103.4	103.7	174.7	-64.5	-56.4	-166.9	-150.2	-2.9	109.4	D463 A464 S483 T488 P491 V492 F493	D463-R485 CarbonylContact C-O 3.58Å; D463-R485 WeakPolarHBondContact CA-O 3.26Å; A464-R485 PolarHBondContact N-O 2.84Å; A464-R485 PolarHBondContact O-N 3.39Å; S483-R485 PolarHBondContact OG-NH1 2.81Å; R485-T488 HydrophobicContact CB-CG2 4.18Å; R485-P491 HydrophobicContact CB-CB 3.72Å; R485-P491 HydrophobicContact CG-CB 4.07Å; R485-V492 PolarHBondContact NE-O 3.41Å; R485-V492 PolarHBondContact NH2-O 3.4Å; R485-F493 HydrophobicContact CB-CE1 4.17Å; R485-F493 HydrophobicContact CG-CD1 3.71Å; R485-F493 HydrophobicContact CG-CE1 3.57Å; R485-F493 HydrophobicContact CG-CZ 4.29Å; R485-F493 PolarHBondContact NH2-O 2.65Å
486	P	85.3	Confident	84.9	Confident	80 Å²	80	67.7 Å²	67.7	52%	0.519	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	149.5	-174.8	29.8	-35.2	0	0	0	112.7	D463 I484 T488	D463-P486 HydrophobicContact CB-CB 4.49Å; D463-P486 WeakPolarHBondContact OD1-CA 3.38Å; I484-P486 WeakPolarHBondContact O-CD 3.46Å; P486-T488 PolarHBondContact O-N 3.19Å
487	N	83.2	Confident	86.4	Confident	82 Å²	82	60.4 Å²	60.4	44%	0.439	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	45.4	166.7	-157.7	102.1	0	0	0	115	R461 T462 D463	R461-N487 WeakPolarHBondContact CD-OD1 3.43Å; R461-N487 VanDerWaalsContact CG-OD1 3.31Å; R461-N487 WeakPolarHBondContact CG-OD1 3.4Å; R461-N487 PolarHBondContact NE-OD1 3.39Å; R461-N487 PolarHBondContact NH1-OD1 3.37Å; T462-N487 WeakPolarHBondContact O-CA 3.44Å; T462-N487 PolarHBondContact O-N 2.97Å; T462-N487 VanDerWaalsContact O-N 3.12Å; D463-N487 PolarHBondContact OD1-N 2.95Å
488	T	85.8	Confident	87.8	Confident	44 Å²	44	59.2 Å²	59.2	27%	0.27	30%	0.295	S	S	.	.			trans	-149.2	134.3	175.4	-179	0	0	0	0	113.1	T462 R485 P486 N490 P491	T462-T488 PolarHBondContact O-N 3.49Å; R485-T488 HydrophobicContact CB-CG2 4.18Å; P486-T488 PolarHBondContact O-N 3.19Å; T488-N490 VanDerWaalsContact C-N 3.3Å; T488-N490 VanDerWaalsContact OG1-C 3.27Å; T488-N490 PolarHBondContact OG1-N 2.98Å; T488-N490 PolarHBondContact OG1-O 2.87Å; T488-P491 HydrophobicContact CG2-CB 3.9Å
489	I	84.8	Confident	88.6	Confident	71 Å²	71	59.4 Å²	59.4	36%	0.364	30%	0.295	S	S	.	.	S	Bend	trans	-83.2	-8.4	168.6	61.1	170.9	0	0	0	112.7	N451 L452 P491	N451-I489 PolarHBondContact N-O 3.26Å; L452-I489 HydrophobicContact CB-CB 4.46Å; L452-I489 WeakPolarHBondContact CB-O 3.25Å; L452-I489 PolarHBondContact N-O 3.31Å; L452-I489 WeakPolarHBondContact O-CB 3.35Å; L452-I489 VanDerWaalsContact O-CG2 3.3Å; L452-I489 WeakPolarHBondContact O-CG2 3.42Å; I489-P491 WeakPolarHBondContact O-CD 3.41Å
490	N	88.3	Confident	88.8	Confident	67 Å²	67	63.3 Å²	63.3	36%	0.358	32%	0.322	S	S	.	.	S	Bend	trans	-123.7	63.7	177.5	-62.4	-47.5	0	0	0	109.7	C449 Y450 N451 T488	C449-N490 CarbonylContact O-C 3.47Å; C449-N490 WeakPolarHBondContact O-CA 3Å; Y450-N490 WeakPolarHBondContact CA-OD1 3.3Å; Y450-N490 WeakPolarHBondContact CD2-OD1 3.42Å; N451-N490 PolarHBondContact N-OD1 3.39Å; T488-N490 VanDerWaalsContact C-N 3.3Å; T488-N490 VanDerWaalsContact OG1-C 3.27Å; T488-N490 PolarHBondContact OG1-N 2.98Å; T488-N490 PolarHBondContact OG1-O 2.87Å
491	P	89.1	Confident	88.6	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.			trans	-69.6	132.9	-179.2	30.3	-36.8	0	0	0	111.3	K448 C449 L452 A464 R485 T488 I489 F493	K448-P491 CarbonylContact C-O 3.56Å; K448-P491 WeakPolarHBondContact CA-O 3.37Å; K448-P491 WeakPolarHBondContact CB-O 3.5Å; C449-P491 HydrophobicContact CB-CG 3.81Å; C449-P491 PolarHBondContact N-O 2.9Å; L452-P491 HydrophobicContact CD1-CG 3.59Å; A464-P491 HydrophobicContact CB-CB 4.16Å; A464-P491 HydrophobicContact CB-CG 3.86Å; R485-P491 HydrophobicContact CB-CB 3.72Å; R485-P491 HydrophobicContact CG-CB 4.07Å; T488-P491 HydrophobicContact CG2-CB 3.9Å; I489-P491 WeakPolarHBondContact O-CD 3.41Å; P491-F493 HydrophobicContact CB-CD2 4.4Å; P491-F493 HydrophobicContact CB-CE1 4.34Å; P491-F493 HydrophobicContact CB-CE2 3.66Å; P491-F493 HydrophobicContact CB-CZ 3.63Å; P491-F493 HydrophobicContact CG-CE2 3.59Å; P491-F493 HydrophobicContact CG-CZ 3.81Å
492	V	91.8	Very high	88.4	Confident	74 Å²	74	57.1 Å²	57.1	45%	0.448	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.1	167.7	-177.7	0	0	0	0	107.9	K448 R485 N494	K448-V492 HydrophobicContact CB-CB 4.41Å; K448-V492 HydrophobicContact CB-CG2 4.06Å; R485-V492 PolarHBondContact NE-O 3.41Å; R485-V492 PolarHBondContact NH2-O 3.4Å; V492-N494 WeakPolarHBondContact CG1-ND2 3.05Å
493	F	90.7	Very high	88	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-59.7	178.7	-61.5	-78.4	0	0	0	109.9	V446 K447 A464 V466 T482 S483 R485 P491 E495	V446-F493 HydrophobicContact CB-CB 4.49Å; V446-F493 HydrophobicContact CG1-CB 4.07Å; V446-F493 HydrophobicContact CG1-CD2 3.72Å; V446-F493 HydrophobicContact CG1-CG 4.12Å; K447-F493 PolarHBondContact O-N 3.17Å; A464-F493 HydrophobicContact CB-CZ 4.34Å; V466-F493 HydrophobicContact CG2-CD2 4.16Å; V466-F493 HydrophobicContact CG2-CE2 3.66Å; V466-F493 HydrophobicContact CG2-CZ 3.92Å; T482-F493 HydrophobicContact CG2-CB 4.22Å; T482-F493 HydrophobicContact CG2-CD1 4Å; T482-F493 HydrophobicContact CG2-CG 4.07Å; T482-F493 WeakPolarHBondContact OG1-CD1 3.33Å; T482-F493 WeakPolarHBondContact OG1-CE1 2.98Å; S483-F493 WeakPolarHBondContact O-CE1 3.45Å; R485-F493 HydrophobicContact CB-CE1 4.17Å; R485-F493 HydrophobicContact CG-CD1 3.71Å; R485-F493 HydrophobicContact CG-CE1 3.57Å; R485-F493 HydrophobicContact CG-CZ 4.29Å; R485-F493 PolarHBondContact NH2-O 2.65Å; P491-F493 HydrophobicContact CB-CD2 4.4Å; P491-F493 HydrophobicContact CB-CE1 4.34Å; P491-F493 HydrophobicContact CB-CE2 3.66Å; P491-F493 HydrophobicContact CB-CZ 3.63Å; P491-F493 HydrophobicContact CG-CE2 3.59Å; P491-F493 HydrophobicContact CG-CZ 3.81Å; F493-E495 HydrophobicContact CB-CG 4.38Å
494	N	90.8	Very high	87.5	Confident	104 Å²	104	61.6 Å²	61.6	56%	0.556	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.3	46.3	-170	-67	-23.8	0	0	0	112.7	V446 K447 V492	V446-N494 VanDerWaalsContact O-CA 3.28Å; V446-N494 WeakPolarHBondContact O-CA 3.23Å; V446-N494 PolarHBondContact O-N 2.76Å; K447-N494 WeakPolarHBondContact CA-OD1 3.2Å; K447-N494 PolarHBondContact O-N 3.43Å; K447-N494 PolarHBondContact O-OD1 3.18Å; V492-N494 WeakPolarHBondContact CG1-ND2 3.05Å
495	E	91.4	Very high	86.9	Confident	47 Å²	47	63.1 Å²	63.1	22%	0.22	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	128	-174.7	-68.6	174.9	-121.7	0	0	111.3	V446 T482 S483 F493	V446-E495 PolarHBondContact N-O 2.9Å; V446-E495 PolarHBondContact O-N 2.85Å; T482-E495 WeakPolarHBondContact CA-OE2 3.4Å; T482-E495 HydrophobicContact CG2-CB 4.33Å; S483-E495 VanDerWaalsContact CB-OE1 3.24Å; S483-E495 WeakPolarHBondContact CB-OE1 3.28Å; S483-E495 VanDerWaalsContact N-CD 3.31Å; S483-E495 PolarHBondContact N-OE1 2.78Å; S483-E495 PolarHBondContact N-OE2 3.33Å; S483-E495 PolarHBondContact OG-OE1 2.61Å; F493-E495 HydrophobicContact CB-CG 4.38Å
496	N	90.9	Very high	86.5	Confident	76 Å²	76	58.7 Å²	58.7	41%	0.406	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	115.8	177.2	178.9	12.7	0	0	0	111.2	N443 V444 L445	N443-N496 WeakPolarHBondContact CA-OD1 3.29Å; N443-N496 WeakPolarHBondContact CB-OD1 3.44Å; N443-N496 PolarHBondContact OD1-ND2 3.49Å; V444-N496 PolarHBondContact N-OD1 2.84Å; L445-N496 HydrophobicContact CD1-CB 4.37Å
497	L	91.4	Very high	86.1	Confident	13 Å²	13	59.2 Å²	59.2	7%	0.068	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	104.6	175.8	-51.9	-177	0	0	0	109.1	V444 V446 T468 R480 K481 T482	V444-L497 HydrophobicContact CB-CB 4.38Å; V444-L497 PolarHBondContact N-O 3.36Å; V444-L497 PolarHBondContact O-N 2.88Å; V446-L497 HydrophobicContact CG2-CD1 3.96Å; V446-L497 HydrophobicContact CG2-CG 4.36Å; T468-L497 HydrophobicContact CG2-CD1 3.81Å; T468-L497 WeakPolarHBondContact OG1-CD1 3.49Å; R480-L497 HydrophobicContact CB-CB 3.94Å; R480-L497 HydrophobicContact CB-CD1 4Å; R480-L497 HydrophobicContact CB-CD2 4.24Å; R480-L497 HydrophobicContact CB-CG 4.28Å; R480-L497 HydrophobicContact CG-CB 4.25Å; K481-L497 WeakPolarHBondContact O-CD2 3.25Å; T482-L497 HydrophobicContact CG2-CD1 4.44Å
498	R	90.1	Very high	85.8	Confident	141 Å²	141	60.6 Å²	60.6	53%	0.532	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.7	-177.4	-171.8	179.1	-70.3	169.2	-0.2	113.1	A441 L442 N443 R480	A441-R498 HydrophobicContact CB-CG 4.04Å; L442-R498 WeakPolarHBondContact O-CA 3.37Å; N443-R498 PolarHBondContact OD1-NE 3.06Å; R480-R498 PolarHBondContact NE-O 3.04Å
499	Y	88.1	Confident	85.6	Confident	8 Å²	8	61 Å²	61	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.3	169	-66.5	-102.4	0	0	0	109	A441 L442 V444 T468 L470 S478 R480 L511	A441-Y499 CarbonylContact C-O 3.59Å; A441-Y499 WeakPolarHBondContact CA-O 3.26Å; A441-Y499 WeakPolarHBondContact CB-O 3.07Å; L442-Y499 HydrophobicContact CD2-CD2 4.46Å; L442-Y499 PolarHBondContact N-O 2.55Å; L442-Y499 PolarHBondContact O-N 3.49Å; V444-Y499 HydrophobicContact CG2-CD2 4.41Å; V444-Y499 HydrophobicContact CG2-CE2 4.39Å; T468-Y499 WeakPolarHBondContact CB-OH 3.42Å; T468-Y499 PolarHBondContact O-OH 2.82Å; T468-Y499 PolarHBondContact OG1-OH 2.93Å; L470-Y499 HydrophobicContact CB-CD1 3.81Å; L470-Y499 HydrophobicContact CB-CE1 3.6Å; L470-Y499 HydrophobicContact CD2-CD1 3.79Å; L470-Y499 HydrophobicContact CD2-CE1 4.44Å; L470-Y499 HydrophobicContact CD2-CG 4.17Å; L470-Y499 HydrophobicContact CG-CD1 4.45Å; S478-Y499 WeakPolarHBondContact O-CE1 3.32Å; S478-Y499 PolarHBondContact O-OH 3.31Å; R480-Y499 HydrophobicContact CB-CE2 4.49Å; R480-Y499 HydrophobicContact CG-CD2 4.49Å; R480-Y499 HydrophobicContact CG-CE1 4.19Å; R480-Y499 HydrophobicContact CG-CE2 3.74Å; R480-Y499 WeakPolarHBondContact CG-OH 3.26Å; Y499-L511 HydrophobicContact CE2-CD1 4.41Å
500	V	86.8	Confident	85.6	Confident	124 Å²	124	59.3 Å²	59.3	75%	0.752	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	117	172.2	-179.3	0	0	0	0	107	G440	G440-V500 WeakPolarHBondContact O-CA 3.09Å
501	I	84.1	Confident	85.7	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.056	30%	0.297	C	S	.	.			trans	-164.9	145.5	-171.1	-172.5	170.1	0	0	0	109.2	Y435 G440 L442 L470 Q505 L506	Y435-I501 HydrophobicContact CE2-CG2 4.48Å; Y435-I501 WeakPolarHBondContact CE2-O 3.27Å; Y435-I501 PolarHBondContact OH-O 2.91Å; G440-I501 CarbonylContact C-O 3.55Å; G440-I501 VanDerWaalsContact C-O 3.28Å; G440-I501 PolarHBondContact O-N 3.15Å; L442-I501 HydrophobicContact CB-CG2 4.27Å; L470-I501 HydrophobicContact CD2-CD1 3.65Å; L470-I501 HydrophobicContact CD2-CG2 4.39Å; I501-Q505 HydrophobicContact CD1-CB 4.03Å; I501-Q505 WeakPolarHBondContact CD1-O 3.43Å; I501-Q505 HydrophobicContact CG1-CB 3.78Å; I501-L506 HydrophobicContact CD1-CB 4.5Å; I501-L506 HydrophobicContact CD1-CD1 4.42Å; I501-L506 HydrophobicContact CG2-CD1 4.34Å
502	S	84.6	Confident	85.7	Confident	46 Å²	46	57.5 Å²	57.5	32%	0.322	30%	0.303	S	S	.	.			trans	-79.6	151.1	173.3	62.7	0	0	0	0	111.9	S504 Q505 L506	S502-S504 PolarHBondContact O-N 2.95Å; S502-Q505 CarbonylContact O-C 3.59Å; S502-Q505 WeakPolarHBondContact O-CA 3.43Å; S502-Q505 WeakPolarHBondContact O-CB 3.26Å; S502-Q505 PolarHBondContact O-N 2.93Å; S502-Q505 VanDerWaalsContact OG-CG 3.32Å; S502-Q505 WeakPolarHBondContact OG-CG 3.48Å; S502-L506 PolarHBondContact O-N 3.1Å; S502-L506 VanDerWaalsContact O-N 3.15Å
503	H	81.7	Confident	85.8	Confident	64 Å²	64	54 Å²	54	30%	0.296	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-55.4	-45.4	-179.2	-176.4	57.9	0	0	0	112.9	Y435 Y437 Q505 L506 E507 F539	Y435-H503 HydrophobicContact CE1-CB 3.92Å; Y435-H503 PolarHBondContact OH-N 2.81Å; Y435-H503 VanDerWaalsContact OH-N 3.15Å; Y437-H503 HydrophobicContact CE1-CB 4.36Å; Y437-H503 AromaticContact CE1-CG 3.94Å; H503-Q505 PolarHBondContact O-N 2.78Å; H503-L506 WeakPolarHBondContact O-CA 3.4Å; H503-L506 VanDerWaalsContact O-CB 3.23Å; H503-L506 WeakPolarHBondContact O-CB 3.46Å; H503-L506 PolarHBondContact O-N 2.82Å; H503-E507 IonicContact CD2-OE1 2.59Å; H503-E507 IonicContact NE2-OE1 3.83Å; H503-E507 PolarHBondContact O-N 3.4Å; H503-F539 AromaticContact CE1-CD2 3.86Å
504	S	78.7	Confident	85.8	Confident	79 Å²	79	53.8 Å²	53.8	55%	0.552	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-63.7	-19.2	174.7	53.8	0	0	0	0	115.2	S502	S502-S504 PolarHBondContact O-N 2.95Å
505	Q	77.6	Confident	85.8	Confident	97 Å²	97	48.9 Å²	48.9	45%	0.453	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-94.1	-5.5	171.6	-72.3	-175.9	6.9	0	0	112.5	I501 S502 H503 R509	I501-Q505 HydrophobicContact CD1-CB 4.03Å; I501-Q505 WeakPolarHBondContact CD1-O 3.43Å; I501-Q505 HydrophobicContact CG1-CB 3.78Å; S502-Q505 CarbonylContact O-C 3.59Å; S502-Q505 WeakPolarHBondContact O-CA 3.43Å; S502-Q505 WeakPolarHBondContact O-CB 3.26Å; S502-Q505 PolarHBondContact O-N 2.93Å; S502-Q505 VanDerWaalsContact OG-CG 3.32Å; S502-Q505 WeakPolarHBondContact OG-CG 3.48Å; H503-Q505 PolarHBondContact O-N 2.78Å; Q505-R509 WeakPolarHBondContact O-CD 3.35Å; Q505-R509 VanDerWaalsContact O-CG 3.25Å; Q505-R509 WeakPolarHBondContact O-CG 3.24Å; Q505-R509 PolarHBondContact O-NE 3.22Å; Q505-R509 VanDerWaalsContact O-NE 3.11Å
506	L	80.9	Confident	85.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-42.3	-179.1	-174.4	61.4	0	0	0	110.9	Y435 L442 L470 I501 S502 H503 T508 R509 F534 F539	Y435-L506 HydrophobicContact CD2-CD2 3.75Å; Y435-L506 HydrophobicContact CE2-CD2 4.28Å; Y435-L506 HydrophobicContact CG-CD2 4.35Å; L442-L506 HydrophobicContact CD1-CD2 4.1Å; L442-L506 HydrophobicContact CD2-CD1 3.96Å; L470-L506 HydrophobicContact CD1-CD1 4.18Å; L470-L506 HydrophobicContact CD2-CD1 4.47Å; I501-L506 HydrophobicContact CD1-CB 4.5Å; I501-L506 HydrophobicContact CD1-CD1 4.42Å; I501-L506 HydrophobicContact CG2-CD1 4.34Å; S502-L506 PolarHBondContact O-N 3.1Å; S502-L506 VanDerWaalsContact O-N 3.15Å; H503-L506 WeakPolarHBondContact O-CA 3.4Å; H503-L506 VanDerWaalsContact O-CB 3.23Å; H503-L506 WeakPolarHBondContact O-CB 3.46Å; H503-L506 PolarHBondContact O-N 2.82Å; L506-T508 PolarHBondContact O-N 2.89Å; L506-T508 VanDerWaalsContact O-N 3.1Å; L506-R509 PolarHBondContact O-N 3.2Å; L506-F534 HydrophobicContact CD1-CD2 3.36Å; L506-F534 HydrophobicContact CD1-CE2 3.61Å; L506-F534 HydrophobicContact CD1-CG 4.13Å; L506-F534 HydrophobicContact CG-CB 4.19Å; L506-F534 HydrophobicContact CG-CD2 3.84Å; L506-F534 HydrophobicContact CG-CE2 4.44Å; L506-F534 HydrophobicContact CG-CG 4.13Å; L506-F534 WeakPolarHBondContact O-CB 3.39Å; L506-F539 HydrophobicContact CD2-CE1 3.78Å; L506-F539 HydrophobicContact CD2-CE2 3.8Å; L506-F539 HydrophobicContact CD2-CZ 3.33Å; L506-F539 HydrophobicContact CG-CE2 4.39Å; L506-F539 HydrophobicContact CG-CZ 3.87Å
507	E	77.8	Confident	85.5	Confident	91 Å²	91	43.8 Å²	43.8	43%	0.425	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-36.3	173.8	-66.7	158.7	-146.6	0	0	113.2	H503 R509	H503-E507 IonicContact CD2-OE1 2.59Å; H503-E507 IonicContact NE2-OE1 3.83Å; H503-E507 PolarHBondContact O-N 3.4Å; E507-R509 VanDerWaalsContact C-N 3.34Å; E507-R509 PolarHBondContact O-N 3.1Å
508	T	76.4	Confident	85.2	Confident	111 Å²	111	44.5 Å²	44.5	68%	0.681	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	16.8	-177.6	51	0	0	0	0	113.9	L506	L506-T508 PolarHBondContact O-N 2.89Å; L506-T508 VanDerWaalsContact O-N 3.1Å
509	R	81.3	Confident	84.7	Confident	53 Å²	53	39.3 Å²	39.3	20%	0.2	21%	0.214	C	C	.	.			trans	-131.3	157.3	-174.9	-68.9	-164.6	-159.3	-155.8	12.7	113.8	L470 L471 Q505 L506 E507 F534	L470-R509 HydrophobicContact CD1-CB 4.02Å; L470-R509 HydrophobicContact CG-CB 4.33Å; L471-R509 WeakPolarHBondContact O-CA 3.29Å; L471-R509 WeakPolarHBondContact O-CB 3.13Å; L471-R509 WeakPolarHBondContact O-CD 3.49Å; L471-R509 WeakPolarHBondContact O-CG 3.23Å; Q505-R509 WeakPolarHBondContact O-CD 3.35Å; Q505-R509 VanDerWaalsContact O-CG 3.25Å; Q505-R509 WeakPolarHBondContact O-CG 3.24Å; Q505-R509 PolarHBondContact O-NE 3.22Å; Q505-R509 VanDerWaalsContact O-NE 3.11Å; L506-R509 PolarHBondContact O-N 3.2Å; E507-R509 VanDerWaalsContact C-N 3.34Å; E507-R509 PolarHBondContact O-N 3.1Å; R509-F534 WeakPolarHBondContact O-CD2 3.36Å; R509-F534 PolarHBondContact O-N 3.26Å
510	T	86.1	Confident	84	Confident	35 Å²	35	47.1 Å²	47.1	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127	178.5	-47.3	0	0	0	0	109.6	L471 Q512 E531 L532 T533	L471-T510 WeakPolarHBondContact CB-O 3.22Å; L471-T510 PolarHBondContact N-O 2.85Å; L471-T510 PolarHBondContact O-N 2.84Å; T510-Q512 PolarHBondContact O-N 2.97Å; T510-E531 HydrophobicContact CG2-CB 3.9Å; T510-L532 CarbonylContact C-O 3.49Å; T510-L532 WeakPolarHBondContact CA-O 3.37Å; T510-L532 WeakPolarHBondContact CG2-O 3.2Å; T510-T533 HydrophobicContact CG2-CG2 4.12Å
511	L	89.3	Confident	83	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.3	169.7	178.5	72.7	0	0	0	109.2	I433 V444 L470 Y499 V513 E531 L532 F534	I433-L511 HydrophobicContact CD1-CD2 3.74Å; V444-L511 HydrophobicContact CB-CD2 4.46Å; V444-L511 HydrophobicContact CG1-CD2 3.86Å; V444-L511 HydrophobicContact CG2-CD1 4.14Å; V444-L511 HydrophobicContact CG2-CD2 3.68Å; L470-L511 HydrophobicContact CD1-CB 4.46Å; Y499-L511 HydrophobicContact CE2-CD1 4.41Å; L511-V513 HydrophobicContact CD1-CG2 4.49Å; L511-V513 HydrophobicContact CD2-CG2 3.83Å; L511-V513 HydrophobicContact CG-CG2 3.73Å; L511-E531 WeakPolarHBondContact O-CA 3.38Å; L511-L532 HydrophobicContact CB-CB 4.47Å; L511-L532 PolarHBondContact N-O 3.34Å; L511-L532 PolarHBondContact O-N 3.44Å; L511-F534 HydrophobicContact CB-CE2 3.6Å; L511-F534 HydrophobicContact CB-CZ 3.53Å; L511-F534 HydrophobicContact CD2-CZ 4.06Å; L511-F534 HydrophobicContact CG-CZ 4.38Å
512	Q	90.4	Very high	82.2	Confident	29 Å²	29	51.1 Å²	51.1	14%	0.136	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.2	170.3	-177.8	-173.6	89	0	0	109.2	T468 Y469 L471 T510 E531	T468-Q512 CarbonylContact C-O 3.59Å; T468-Q512 VanDerWaalsContact CA-O 3.28Å; T468-Q512 WeakPolarHBondContact CA-O 3.33Å; Y469-Q512 PolarHBondContact N-O 2.81Å; Y469-Q512 PolarHBondContact O-N 2.9Å; L471-Q512 HydrophobicContact CD1-CB 4Å; L471-Q512 HydrophobicContact CG-CB 4.16Å; T510-Q512 PolarHBondContact O-N 2.97Å; Q512-E531 HydrophobicContact CB-CG 4.37Å; Q512-E531 HydrophobicContact CG-CG 4.16Å; Q512-E531 WeakPolarHBondContact CG-OE1 3.16Å; Q512-E531 PolarHBondContact NE2-OE1 2.98Å
513	V	92.1	Very high	81.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.5	-179.1	-176.5	0	0	0	0	108.8	I429 L431 V466 T468 L511 E529 V530	I429-V513 HydrophobicContact CD1-CG1 3.86Å; L431-V513 HydrophobicContact CD1-CB 4.48Å; L431-V513 HydrophobicContact CD1-CG1 4.26Å; L431-V513 HydrophobicContact CD1-CG2 3.97Å; V466-V513 HydrophobicContact CG1-CG1 3.57Å; T468-V513 HydrophobicContact CG2-CB 4.24Å; T468-V513 HydrophobicContact CG2-CG1 3.97Å; T468-V513 HydrophobicContact CG2-CG2 3.9Å; L511-V513 HydrophobicContact CD1-CG2 4.49Å; L511-V513 HydrophobicContact CD2-CG2 3.83Å; L511-V513 HydrophobicContact CG-CG2 3.73Å; V513-E529 CarbonylContact O-C 3.6Å; V513-E529 WeakPolarHBondContact O-CA 3.42Å; V513-E529 WeakPolarHBondContact O-CB 3.34Å; V513-V530 HydrophobicContact CB-CG1 3.92Å; V513-V530 PolarHBondContact N-O 3.08Å; V513-V530 PolarHBondContact O-N 2.83Å
514	S	91.1	Very high	81.5	Confident	1 Å²	1	57 Å²	57	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.5	-178.3	54.5	0	0	0	0	112.5	V466 K467 W516	V466-S514 WeakPolarHBondContact CA-O 3.44Å; K467-S514 PolarHBondContact N-O 3.49Å; K467-S514 PolarHBondContact O-N 3.37Å; S514-W516 VanDerWaalsContact CB-NE1 3.31Å; S514-W516 VanDerWaalsContact O-CD1 3.26Å; S514-W516 PolarHBondContact OG-NE1 3.36Å
515	V	91.8	Very high	81.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.7	-177.3	-168.8	0	0	0	0	109.5	I429 L452 V466 L527 G528 L549	I429-V515 HydrophobicContact CD1-CG2 4.04Å; L452-V515 HydrophobicContact CD1-CG1 3.89Å; L452-V515 HydrophobicContact CD2-CG1 4.12Å; V466-V515 HydrophobicContact CG2-CG2 4.25Å; V515-L527 HydrophobicContact CB-CB 4.32Å; V515-L527 HydrophobicContact CG1-CB 4.22Å; V515-L527 HydrophobicContact CG1-CD1 4.25Å; V515-L527 WeakPolarHBondContact O-CB 3.48Å; V515-L527 PolarHBondContact O-N 3.05Å; V515-G528 PolarHBondContact N-O 2.56Å; V515-L549 HydrophobicContact CB-CD1 4.24Å; V515-L549 HydrophobicContact CG2-CD1 3.78Å; V515-L549 HydrophobicContact CG2-CD2 3.76Å; V515-L549 HydrophobicContact CG2-CG 4.46Å
516	W	89.3	Confident	82	Confident	11 Å²	11	50.5 Å²	50.5	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.4	-168.6	-64.3	82.8	0	0	0	112	Y420 A464 Y465 K467 S514 N524 F526 L527	Y420-W516 HydrophobicContact CD1-CZ3 4.48Å; Y420-W516 HydrophobicContact CE1-CH2 4.21Å; Y420-W516 HydrophobicContact CE1-CZ3 4.45Å; A464-W516 CarbonylContact C-O 3.58Å; A464-W516 WeakPolarHBondContact CA-O 3.41Å; Y465-W516 HydrophobicContact CD1-CB 4.02Å; Y465-W516 VanDerWaalsContact CD1-O 3.31Å; Y465-W516 WeakPolarHBondContact CD1-O 3.49Å; Y465-W516 HydrophobicContact CD2-CB 4.49Å; Y465-W516 HydrophobicContact CE1-CB 3.48Å; Y465-W516 VanDerWaalsContact CE1-CB 3.48Å; Y465-W516 HydrophobicContact CE2-CB 4.01Å; Y465-W516 HydrophobicContact CE2-CG 4.39Å; Y465-W516 HydrophobicContact CG-CB 4.5Å; Y465-W516 VanDerWaalsContact CZ-CB 3.47Å; Y465-W516 PolarHBondContact N-O 2.73Å; Y465-W516 PolarHBondContact O-N 2.81Å; K467-W516 VanDerWaalsContact NZ-NE1 3.11Å; S514-W516 VanDerWaalsContact CB-NE1 3.31Å; S514-W516 VanDerWaalsContact O-CD1 3.26Å; S514-W516 PolarHBondContact OG-NE1 3.36Å; W516-N524 HydrophobicContact CE3-CB 4.34Å; W516-F526 HydrophobicContact CD2-CD2 4.24Å; W516-F526 AromaticContact CE2-CD2 3.91Å; W516-F526 HydrophobicContact CE3-CB 4.18Å; W516-F526 HydrophobicContact CE3-CD2 4.34Å; W516-F526 HydrophobicContact CH2-CB 4.38Å; W516-F526 AromaticContact CH2-CD2 3.82Å; W516-F526 HydrophobicContact CH2-CD2 3.82Å; W516-F526 AromaticContact CZ2-CD2 3.72Å; W516-F526 HydrophobicContact CZ2-CD2 3.72Å; W516-F526 HydrophobicContact CZ2-CE2 4.3Å; W516-F526 HydrophobicContact CZ3-CB 3.96Å; W516-F526 HydrophobicContact CZ3-CD2 4.14Å; W516-L527 VanDerWaalsContact C-CD1 3.45Å
517	H	86.8	Confident	82.1	Confident	5 Å²	5	50.5 Å²	50.5	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.7	163.2	-177.8	30.9	0	0	0	109.9	G455 D463 N524 S525 L527	G455-H517 VanDerWaalsContact C-CD2 3.4Å; G455-H517 PolarHBondContact O-CD2 2.85Å; D463-H517 PolarHBondContact N-CE1 3.28Å; D463-H517 VanDerWaalsContact N-CE1 3.32Å; D463-H517 PolarHBondContact N-ND1 3.25Å; D463-H517 CarbonylContact O-C 3.26Å; D463-H517 VanDerWaalsContact O-CA 3.31Å; D463-H517 WeakPolarHBondContact O-CA 3.37Å; D463-H517 PolarHBondContact O-ND1 3.18Å; H517-N524 CarbonylContact O-C 3.58Å; H517-N524 WeakPolarHBondContact O-CA 3.04Å; H517-N524 WeakPolarHBondContact O-CB 3.07Å; H517-N524 PolarHBondContact O-OD1 3.28Å; H517-S525 PolarHBondContact N-O 3.01Å; H517-L527 HydrophobicContact CB-CD1 4.16Å; H517-L527 HydrophobicContact CB-CD2 4.26Å; H517-L527 HydrophobicContact CB-CG 4.27Å
518	H	84.4	Confident	82.5	Confident	28 Å²	28	46.1 Å²	46.1	13%	0.13	22%	0.221	C	C	.	.			trans	-103.5	101.6	167	-179.2	-68.9	0	0	0	111.1	D463 Y465 I484 N524	D463-H518 PolarHBondContact O-N 3.19Å; Y465-H518 HydrophobicContact CD1-CB 3.85Å; Y465-H518 HydrophobicContact CE1-CB 3.78Å; I484-H518 HydrophobicContact CD1-CB 4.12Å; I484-H518 HydrophobicContact CG1-CB 4.46Å; I484-H518 HydrophobicContact CG2-CB 4.14Å; H518-N524 WeakPolarHBondContact CA-OD1 3.34Å
519	D	79.6	Confident	83.1	Confident	33 Å²	33	41.9 Å²	41.9	18%	0.176	19%	0.194	C	C	.	.			trans	-80.4	139.9	165.9	-170.6	1.8	0	0	0	110.2	F521 G522	D519-F521 PolarHBondContact OD1-N 2.76Å; D519-G522 VanDerWaalsContact OD2-CA 3.23Å; D519-G522 WeakPolarHBondContact OD2-CA 3.48Å; D519-G522 PolarHBondContact OD2-N 3.02Å
520	R	73.6	Confident	83.6	Confident	172 Å²	172	40.2 Å²	40.2	65%	0.649	19%	0.189	S	C	*	.	S	Bend	trans	-82.6	-14.7	173.5	-81	175.8	-88.5	-174.8	-11.6	113.4	D463	D463-R520 IonicContact OD2-NH2 2.61Å; D463-R520 PolarHBondContact OD2-NH2 3.24Å
521	F	65.9	Low	83.8	Confident	178 Å²	178	43.4 Å²	43.4	78%	0.781	20%	0.202	S	C	*	.	S	Bend	trans	-132.5	9.9	-174	-60.3	-78.3	0	0	0	114.4	D519	D519-F521 PolarHBondContact OD1-N 2.76Å
522	G	66.3	Low	83.6	Confident	40 Å²	40	44.2 Å²	44.2	41%	0.412	21%	0.206	S	C	.	.	S	Bend	trans	-151.7	-154	-173.5	0	0	0	0	0	112.7	D519	D519-G522 VanDerWaalsContact OD2-CA 3.23Å; D519-G522 WeakPolarHBondContact OD2-CA 3.48Å; D519-G522 PolarHBondContact OD2-N 3.02Å
523	Y	71.7	Confident	83.3	Confident	213 Å²	213	46.5 Å²	46.5	84%	0.835	22%	0.222	S	C	*	.			trans	-93	154.9	177.4	-59.2	-69.2	0	0	0	111.1	S525	Y523-S525 PolarHBondContact O-N 2.95Å
524	N	80.8	Confident	82.9	Confident	20 Å²	20	46.6 Å²	46.6	11%	0.107	22%	0.222	C	C	.	.			trans	-76.3	105.9	177.5	-68.6	-27.6	0	0	0	110.5	Y465 W516 H517 H518	Y465-N524 PolarHBondContact OH-ND2 3.18Å; W516-N524 HydrophobicContact CE3-CB 4.34Å; H517-N524 CarbonylContact O-C 3.58Å; H517-N524 WeakPolarHBondContact O-CA 3.04Å; H517-N524 WeakPolarHBondContact O-CB 3.07Å; H517-N524 PolarHBondContact O-OD1 3.28Å; H518-N524 WeakPolarHBondContact CA-OD1 3.34Å
525	S	81.7	Confident	82	Confident	29 Å²	29	51.5 Å²	51.5	20%	0.203	25%	0.249	C	C	.	.			trans	-60.7	140.1	173.6	-35.7	0	0	0	0	110.8	G455 H517 Y523	G455-S525 PolarHBondContact O-OG 2.97Å; H517-S525 PolarHBondContact N-O 3.01Å; Y523-S525 PolarHBondContact O-N 2.95Å
526	F	84.7	Confident	80.7	Confident	11 Å²	11	56.1 Å²	56.1	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.3	169.4	178.5	-95.3	0	0	0	109.6	Y420 V425 W516 G528 E529 R552	Y420-F526 HydrophobicContact CD1-CB 4.45Å; V425-F526 HydrophobicContact CG2-CD1 3.88Å; V425-F526 HydrophobicContact CG2-CE1 3.88Å; W516-F526 HydrophobicContact CD2-CD2 4.24Å; W516-F526 AromaticContact CE2-CD2 3.91Å; W516-F526 HydrophobicContact CE3-CB 4.18Å; W516-F526 HydrophobicContact CE3-CD2 4.34Å; W516-F526 HydrophobicContact CH2-CB 4.38Å; W516-F526 AromaticContact CH2-CD2 3.82Å; W516-F526 HydrophobicContact CH2-CD2 3.82Å; W516-F526 AromaticContact CZ2-CD2 3.72Å; W516-F526 HydrophobicContact CZ2-CD2 3.72Å; W516-F526 HydrophobicContact CZ2-CE2 4.3Å; W516-F526 HydrophobicContact CZ3-CB 3.96Å; W516-F526 HydrophobicContact CZ3-CD2 4.14Å; F526-G528 VanDerWaalsContact CE1-N 3.28Å; F526-G528 VanDerWaalsContact CZ-CA 3.43Å; F526-E529 HydrophobicContact CE2-CB 4.02Å; F526-E529 HydrophobicContact CE2-CG 4.26Å; F526-E529 WeakPolarHBondContact CE2-OE2 3.44Å; F526-E529 HydrophobicContact CZ-CB 3.73Å; F526-E529 HydrophobicContact CZ-CG 3.72Å; F526-R552 HydrophobicContact CD1-CB 4.2Å; F526-R552 HydrophobicContact CE1-CB 3.55Å; F526-R552 HydrophobicContact CE2-CB 4.08Å; F526-R552 HydrophobicContact CZ-CB 3.48Å; F526-R552 VanDerWaalsContact CZ-CB 3.48Å
527	L	83.2	Confident	80.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-13.2	-177.2	-59.9	176.8	0	0	0	114	V425 L452 A453 T462 A464 V515 W516 H517	V425-L527 WeakPolarHBondContact CG1-O 3.26Å; L452-L527 HydrophobicContact CD1-CD1 4.43Å; A453-L527 HydrophobicContact CB-CD2 4.18Å; T462-L527 HydrophobicContact CG2-CD1 3.47Å; T462-L527 VanDerWaalsContact CG2-CD1 3.47Å; T462-L527 HydrophobicContact CG2-CD2 4.38Å; A464-L527 HydrophobicContact CB-CD1 4.47Å; V515-L527 HydrophobicContact CB-CB 4.32Å; V515-L527 HydrophobicContact CG1-CB 4.22Å; V515-L527 HydrophobicContact CG1-CD1 4.25Å; V515-L527 WeakPolarHBondContact O-CB 3.48Å; V515-L527 PolarHBondContact O-N 3.05Å; W516-L527 VanDerWaalsContact C-CD1 3.45Å; H517-L527 HydrophobicContact CB-CD1 4.16Å; H517-L527 HydrophobicContact CB-CD2 4.26Å; H517-L527 HydrophobicContact CB-CG 4.27Å
528	G	85.6	Confident	79.5	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.6	157.5	179.4	0	0	0	0	0	113	V425 V515 F526 Q550	V425-G528 VanDerWaalsContact CG1-CA 3.44Å; V515-G528 PolarHBondContact N-O 2.56Å; F526-G528 VanDerWaalsContact CE1-N 3.28Å; F526-G528 VanDerWaalsContact CZ-CA 3.43Å; G528-Q550 WeakPolarHBondContact CA-O 3.3Å
529	E	90.5	Very high	79	Confident	22 Å²	22	64 Å²	64	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	164	176.2	70.2	-161.4	177.5	0	0	112.8	V513 F526 Q550 R552	V513-E529 CarbonylContact O-C 3.6Å; V513-E529 WeakPolarHBondContact O-CA 3.42Å; V513-E529 WeakPolarHBondContact O-CB 3.34Å; F526-E529 HydrophobicContact CE2-CB 4.02Å; F526-E529 HydrophobicContact CE2-CG 4.26Å; F526-E529 WeakPolarHBondContact CE2-OE2 3.44Å; F526-E529 HydrophobicContact CZ-CB 3.73Å; F526-E529 HydrophobicContact CZ-CG 3.72Å; E529-Q550 PolarHBondContact N-O 3.06Å; E529-Q550 PolarHBondContact O-N 2.96Å; E529-R552 VanDerWaalsContact OE1-CB 3.3Å; E529-R552 WeakPolarHBondContact OE1-CB 3.37Å; E529-R552 VanDerWaalsContact OE1-CD 3.32Å; E529-R552 WeakPolarHBondContact OE1-CD 3.48Å; E529-R552 WeakPolarHBondContact OE1-CG 3.48Å; E529-R552 IonicContact OE1-NE 3.14Å; E529-R552 PolarHBondContact OE1-NE 3Å; E529-R552 IonicContact OE2-NE 2.8Å
530	V	90.2	Very high	78.2	Confident	18 Å²	18	68.8 Å²	68.8	11%	0.109	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143	168.5	59.3	0	0	0	0	108.9	I429 V513 L532	I429-V530 HydrophobicContact CG2-CG1 4.02Å; V513-V530 HydrophobicContact CB-CG1 3.92Å; V513-V530 PolarHBondContact N-O 3.08Å; V513-V530 PolarHBondContact O-N 2.83Å; V530-L532 HydrophobicContact CG2-CD2 3.85Å; V530-L532 HydrophobicContact CG2-CG 4.21Å
531	E	90.2	Very high	77.7	Confident	102 Å²	102	62.3 Å²	62.3	48%	0.477	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.9	172.3	-56.9	-156.6	138.5	0	0	109.1	T510 L511 Q512	T510-E531 HydrophobicContact CG2-CB 3.9Å; L511-E531 WeakPolarHBondContact O-CA 3.38Å; Q512-E531 HydrophobicContact CB-CG 4.37Å; Q512-E531 HydrophobicContact CG-CG 4.16Å; Q512-E531 WeakPolarHBondContact CG-OE1 3.16Å; Q512-E531 PolarHBondContact NE2-OE1 2.98Å
532	L	85.9	Confident	77.5	Confident	16 Å²	16	60.4 Å²	60.4	8%	0.084	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.1	-176.7	-60.2	174.9	0	0	0	108.8	L431 I433 T510 L511 V530 W537 Y547	L431-L532 HydrophobicContact CD1-CD1 3.97Å; I433-L532 HydrophobicContact CD1-CD1 3.58Å; T510-L532 CarbonylContact C-O 3.49Å; T510-L532 WeakPolarHBondContact CA-O 3.37Å; T510-L532 WeakPolarHBondContact CG2-O 3.2Å; L511-L532 HydrophobicContact CB-CB 4.47Å; L511-L532 PolarHBondContact N-O 3.34Å; L511-L532 PolarHBondContact O-N 3.44Å; V530-L532 HydrophobicContact CG2-CD2 3.85Å; V530-L532 HydrophobicContact CG2-CG 4.21Å; L532-W537 HydrophobicContact CB-CZ3 4.07Å; L532-W537 HydrophobicContact CD1-CH2 4.14Å; L532-W537 HydrophobicContact CD1-CZ3 4.42Å; L532-W537 HydrophobicContact CD2-CZ3 4.35Å; L532-Y547 HydrophobicContact CD1-CD2 4.41Å; L532-Y547 HydrophobicContact CD1-CE1 4.39Å; L532-Y547 HydrophobicContact CD1-CE2 4.26Å; L532-Y547 HydrophobicContact CD2-CD1 3.64Å; L532-Y547 HydrophobicContact CD2-CE1 3.66Å; L532-Y547 HydrophobicContact CD2-CG 4.29Å
533	T	84.4	Confident	77.6	Confident	77 Å²	77	62.2 Å²	62.2	47%	0.472	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	152.9	174.1	58.4	0	0	0	0	110.3	T510 D535	T510-T533 HydrophobicContact CG2-CG2 4.12Å; T533-D535 WeakPolarHBondContact CB-OD1 3.12Å; T533-D535 PolarHBondContact OG1-OD1 2.81Å
534	F	82.8	Confident	78.1	Confident	3 Å²	3	56.8 Å²	56.8	1%	0.013	30%	0.298	C	S	.	.			trans	-115.4	13.1	-177.9	-66.3	-48.4	0	0	0	113.8	I433 L442 L470 L506 R509 L511 S536 W537 F539	I433-F534 HydrophobicContact CD1-CE1 4.44Å; I433-F534 HydrophobicContact CG2-CE1 4.07Å; I433-F534 HydrophobicContact CG2-CZ 4.33Å; L442-F534 HydrophobicContact CD2-CE2 4.01Å; L442-F534 HydrophobicContact CD2-CZ 4.04Å; L470-F534 HydrophobicContact CD1-CD2 4.35Å; L470-F534 HydrophobicContact CD1-CE2 3.82Å; L506-F534 HydrophobicContact CD1-CD2 3.36Å; L506-F534 HydrophobicContact CD1-CE2 3.61Å; L506-F534 HydrophobicContact CD1-CG 4.13Å; L506-F534 HydrophobicContact CG-CB 4.19Å; L506-F534 HydrophobicContact CG-CD2 3.84Å; L506-F534 HydrophobicContact CG-CE2 4.44Å; L506-F534 HydrophobicContact CG-CG 4.13Å; L506-F534 WeakPolarHBondContact O-CB 3.39Å; R509-F534 WeakPolarHBondContact O-CD2 3.36Å; R509-F534 PolarHBondContact O-N 3.26Å; L511-F534 HydrophobicContact CB-CE2 3.6Å; L511-F534 HydrophobicContact CB-CZ 3.53Å; L511-F534 HydrophobicContact CD2-CZ 4.06Å; L511-F534 HydrophobicContact CG-CZ 4.38Å; F534-S536 PolarHBondContact O-N 3.43Å; F534-W537 HydrophobicContact CD1-CB 4.06Å; F534-W537 AromaticContact CD1-CD2 3.86Å; F534-W537 HydrophobicContact CD1-CD2 3.86Å; F534-W537 AromaticContact CD1-CE3 3.81Å; F534-W537 HydrophobicContact CD1-CE3 3.81Å; F534-W537 AromaticContact CD1-CG 3.98Å; F534-W537 HydrophobicContact CD1-CG 3.98Å; F534-W537 HydrophobicContact CE1-CD2 4.06Å; F534-W537 HydrophobicContact CE1-CE3 4.01Å; F534-W537 HydrophobicContact CE1-CG 4.49Å; F534-W537 HydrophobicContact CE1-CZ3 4.39Å; F534-F539 HydrophobicContact CB-CZ 3.93Å; F534-F539 AromaticContact CD1-CE1 3.84Å; F534-F539 HydrophobicContact CD1-CE1 3.84Å; F534-F539 AromaticContact CD1-CZ 3.53Å; F534-F539 HydrophobicContact CD1-CZ 3.53Å; F534-F539 HydrophobicContact CE1-CE1 4.02Å; F534-F539 HydrophobicContact CE1-CZ 4.17Å; F534-F539 HydrophobicContact CG-CE1 4.45Å; F534-F539 AromaticContact CG-CZ 3.8Å; F534-F539 HydrophobicContact CG-CZ 3.8Å
535	D	73.4	Confident	78.5	Confident	104 Å²	104	60.2 Å²	60.2	56%	0.556	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.3	178.7	61.5	-62.9	0	0	0	113.8	T533	T533-D535 WeakPolarHBondContact CB-OD1 3.12Å; T533-D535 PolarHBondContact OG1-OD1 2.81Å
536	S	64.3	Low	78.9	Confident	96 Å²	96	63.6 Å²	63.6	67%	0.671	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	23.3	-173.8	46.5	0	0	0	0	113.6	F534	F534-S536 PolarHBondContact O-N 3.43Å
537	W	77.2	Confident	79.2	Confident	53 Å²	53	64.3 Å²	64.3	20%	0.201	32%	0.324	C	S	.	.			trans	-90.5	118.5	-168.7	-161.4	-68.6	0	0	0	114.5	I433 L532 F534 F539 Y547	I433-W537 HydrophobicContact CB-CZ2 3.93Å; I433-W537 HydrophobicContact CD1-CH2 3.9Å; I433-W537 HydrophobicContact CD1-CZ2 3.91Å; I433-W537 HydrophobicContact CG1-CZ2 4.35Å; I433-W537 HydrophobicContact CG2-CZ2 4.37Å; L532-W537 HydrophobicContact CB-CZ3 4.07Å; L532-W537 HydrophobicContact CD1-CH2 4.14Å; L532-W537 HydrophobicContact CD1-CZ3 4.42Å; L532-W537 HydrophobicContact CD2-CZ3 4.35Å; F534-W537 HydrophobicContact CD1-CB 4.06Å; F534-W537 AromaticContact CD1-CD2 3.86Å; F534-W537 HydrophobicContact CD1-CD2 3.86Å; F534-W537 AromaticContact CD1-CE3 3.81Å; F534-W537 HydrophobicContact CD1-CE3 3.81Å; F534-W537 AromaticContact CD1-CG 3.98Å; F534-W537 HydrophobicContact CD1-CG 3.98Å; F534-W537 HydrophobicContact CE1-CD2 4.06Å; F534-W537 HydrophobicContact CE1-CE3 4.01Å; F534-W537 HydrophobicContact CE1-CG 4.49Å; F534-W537 HydrophobicContact CE1-CZ3 4.39Å; W537-F539 HydrophobicContact CB-CD2 4.37Å; W537-F539 HydrophobicContact CB-CE1 4.23Å; W537-F539 HydrophobicContact CB-CE2 3.85Å; W537-F539 HydrophobicContact CB-CZ 3.77Å; W537-F539 AromaticContact CD1-CD1 3.44Å; W537-F539 VanDerWaalsContact CD1-CD1 3.44Å; W537-F539 AromaticContact CD1-CE1 3.5Å; W537-F539 AromaticContact CD1-CG 3.83Å; W537-F539 AromaticContact CD1-CZ 3.94Å; W537-F539 HydrophobicContact CG-CD1 4.22Å; W537-F539 AromaticContact CG-CE1 3.86Å; W537-F539 HydrophobicContact CG-CE1 3.86Å; W537-F539 HydrophobicContact CG-CE2 4.33Å; W537-F539 AromaticContact CG-CZ 3.91Å; W537-F539 HydrophobicContact CG-CZ 3.91Å; W537-F539 AromaticContact NE1-CD1 4Å; W537-F539 WeakPolarHBondContact O-CD2 3.3Å; W537-F539 PolarHBondContact O-N 2.88Å; W537-Y547 VanDerWaalsContact CH2-OH 3.3Å; W537-Y547 WeakPolarHBondContact CH2-OH 3.13Å
538	E	73.4	Confident	79.5	Confident	150 Å²	150	67.2 Å²	67.2	70%	0.701	34%	0.344	S	S	*	.			trans	-78.2	74.5	178	-66.7	-169.4	-179.8	0	0	113	D540 S541	E538-D540 PolarHBondContact O-N 2.87Å; E538-D540 VanDerWaalsContact O-N 3.09Å; E538-S541 PolarHBondContact O-N 3.17Å; E538-S541 PolarHBondContact O-OG 3.32Å
539	F	74.4	Confident	79.7	Confident	7 Å²	7	67.6 Å²	67.6	3%	0.031	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.8	-174.6	-65.3	-75	0	0	0	116.6	I433 L442 H503 L506 F534 W537 S541	I433-F539 HydrophobicContact CG2-CE1 4.24Å; L442-F539 HydrophobicContact CD1-CD1 4.38Å; L442-F539 HydrophobicContact CD1-CE1 3.9Å; H503-F539 AromaticContact CE1-CD2 3.86Å; L506-F539 HydrophobicContact CD2-CE1 3.78Å; L506-F539 HydrophobicContact CD2-CE2 3.8Å; L506-F539 HydrophobicContact CD2-CZ 3.33Å; L506-F539 HydrophobicContact CG-CE2 4.39Å; L506-F539 HydrophobicContact CG-CZ 3.87Å; F534-F539 HydrophobicContact CB-CZ 3.93Å; F534-F539 AromaticContact CD1-CE1 3.84Å; F534-F539 HydrophobicContact CD1-CE1 3.84Å; F534-F539 AromaticContact CD1-CZ 3.53Å; F534-F539 HydrophobicContact CD1-CZ 3.53Å; F534-F539 HydrophobicContact CE1-CE1 4.02Å; F534-F539 HydrophobicContact CE1-CZ 4.17Å; F534-F539 HydrophobicContact CG-CE1 4.45Å; F534-F539 AromaticContact CG-CZ 3.8Å; F534-F539 HydrophobicContact CG-CZ 3.8Å; W537-F539 HydrophobicContact CB-CD2 4.37Å; W537-F539 HydrophobicContact CB-CE1 4.23Å; W537-F539 HydrophobicContact CB-CE2 3.85Å; W537-F539 HydrophobicContact CB-CZ 3.77Å; W537-F539 AromaticContact CD1-CD1 3.44Å; W537-F539 VanDerWaalsContact CD1-CD1 3.44Å; W537-F539 AromaticContact CD1-CE1 3.5Å; W537-F539 AromaticContact CD1-CG 3.83Å; W537-F539 AromaticContact CD1-CZ 3.94Å; W537-F539 HydrophobicContact CG-CD1 4.22Å; W537-F539 AromaticContact CG-CE1 3.86Å; W537-F539 HydrophobicContact CG-CE1 3.86Å; W537-F539 HydrophobicContact CG-CE2 4.33Å; W537-F539 AromaticContact CG-CZ 3.91Å; W537-F539 HydrophobicContact CG-CZ 3.91Å; W537-F539 AromaticContact NE1-CD1 4Å; W537-F539 WeakPolarHBondContact O-CD2 3.3Å; W537-F539 PolarHBondContact O-N 2.88Å; F539-S541 VanDerWaalsContact C-N 3.25Å
540	D	62.3	Low	79.3	Confident	133 Å²	133	71.8 Å²	71.8	71%	0.711	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.8	175.4	-68.3	-72.9	0	0	0	112.4	Y437 E538	Y437-D540 WeakPolarHBondContact CE2-OD1 3.36Å; Y437-D540 PolarHBondContact OH-OD2 2.93Å; Y437-D540 VanDerWaalsContact OH-OD2 3.13Å; E538-D540 PolarHBondContact O-N 2.87Å; E538-D540 VanDerWaalsContact O-N 3.09Å
541	S	62	Low	78.8	Confident	37 Å²	37	74 Å²	74	26%	0.259	38%	0.38	S	S	.	.	S	Bend	trans	-87.9	118.1	169.5	71.7	0	0	0	0	109.8	E538 F539 I543	E538-S541 PolarHBondContact O-N 3.17Å; E538-S541 PolarHBondContact O-OG 3.32Å; F539-S541 VanDerWaalsContact C-N 3.25Å; S541-I543 PolarHBondContact O-N 3.15Å; S541-I543 VanDerWaalsContact OG-CD1 3.23Å; S541-I543 WeakPolarHBondContact OG-CD1 3.46Å; S541-I543 WeakPolarHBondContact OG-CG1 3.32Å
542	Q	61.7	Low	77.7	Confident	138 Å²	138	73.8 Å²	73.8	65%	0.645	38%	0.375	S	S	*	.			trans	-80	60.5	-179.6	-159.3	-166.3	-13.6	0	0	111.6	N432	N432-Q542 PolarHBondContact ND2-O 2.81Å; N432-Q542 PolarHBondContact OD1-NE2 2.91Å
543	I	68.3	Low	76	Confident	77 Å²	77	77.6 Å²	77.6	40%	0.395	40%	0.399	S	S	.	.			trans	-62.9	134.2	-175.8	-64.2	171.7	0	0	0	111	N432 S541 E545	N432-I543 WeakPolarHBondContact CA-O 3.49Å; N432-I543 PolarHBondContact ND2-O 3.12Å; S541-I543 PolarHBondContact O-N 3.15Å; S541-I543 VanDerWaalsContact OG-CD1 3.23Å; S541-I543 WeakPolarHBondContact OG-CD1 3.46Å; S541-I543 WeakPolarHBondContact OG-CG1 3.32Å; I543-E545 HydrophobicContact CG2-CB 3.78Å
544	E	84	Confident	73.9	Confident	99 Å²	99	81.2 Å²	81.2	46%	0.463	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.6	170.4	168.9	169.6	-162.5	0	0	107.4	L430 K447	L430-E544 HydrophobicContact CD1-CG 3.59Å; L430-E544 HydrophobicContact CD2-CG 4.21Å; L430-E544 WeakPolarHBondContact CD2-OE1 3.39Å; L430-E544 HydrophobicContact CG-CG 4.01Å; K447-E544 HydrophobicContact CD-CG 4.3Å; K447-E544 WeakPolarHBondContact CD-OE1 3.4Å; K447-E544 WeakPolarHBondContact CE-OE1 3.49Å; K447-E544 IonicContact NZ-OE1 2.82Å; K447-E544 PolarHBondContact NZ-OE1 3.05Å; K447-E544 IonicContact NZ-OE2 2.76Å; K447-E544 PolarHBondContact NZ-OE2 2.65Å
545	E	87.8	Confident	71.6	Confident	92 Å²	92	83.8 Å²	83.8	43%	0.43	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.2	-167.7	174.5	168.3	-117.9	0	0	111.6	L430 L431 I543 Y547	L430-E545 WeakPolarHBondContact CD1-O 3.31Å; L431-E545 PolarHBondContact N-O 3.05Å; L431-E545 PolarHBondContact O-N 2.83Å; I543-E545 HydrophobicContact CG2-CB 3.78Å; E545-Y547 HydrophobicContact CB-CE1 4.47Å; E545-Y547 HydrophobicContact CB-CE2 4Å; E545-Y547 WeakPolarHBondContact CB-OH 3.48Å; E545-Y547 HydrophobicContact CG-CE1 3.86Å; E545-Y547 HydrophobicContact CG-CE2 4.17Å; E545-Y547 WeakPolarHBondContact O-CD2 3.34Å; E545-Y547 WeakPolarHBondContact O-CE2 3.46Å; E545-Y547 VanDerWaalsContact OE2-CE1 3.23Å; E545-Y547 WeakPolarHBondContact OE2-CE1 3.41Å; E545-Y547 PolarHBondContact OE2-OH 3.08Å
546	W	90.8	Very high	69.8	Low	101 Å²	101	83.5 Å²	83.5	38%	0.383	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.8	178.9	-73	99	0	0	0	110.1	E428 L430 K448	E428-W546 HydrophobicContact CB-CE3 3.86Å; E428-W546 HydrophobicContact CB-CZ3 4.38Å; L430-W546 HydrophobicContact CB-CD2 4.03Å; L430-W546 HydrophobicContact CB-CE3 3.8Å; L430-W546 HydrophobicContact CB-CH2 4.03Å; L430-W546 HydrophobicContact CB-CZ2 4.22Å; L430-W546 HydrophobicContact CB-CZ3 3.8Å; L430-W546 HydrophobicContact CD1-CD2 3.9Å; L430-W546 HydrophobicContact CD1-CG 3.98Å; L430-W546 HydrophobicContact CD2-CH2 4.31Å; L430-W546 HydrophobicContact CD2-CZ2 3.87Å; L430-W546 HydrophobicContact CG-CD2 4.42Å; L430-W546 HydrophobicContact CG-CZ2 4.45Å; K448-W546 HydrophobicContact CD-CH2 3.99Å; K448-W546 HydrophobicContact CD-CZ2 4.46Å; K448-W546 VanDerWaalsContact CE-CZ2 3.5Å; K448-W546 HydrophobicContact CG-CH2 4.07Å
547	Y	89.8	Confident	68.4	Low	25 Å²	25	82.9 Å²	82.9	10%	0.098	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.8	176.3	-59.1	-73.7	0	0	0	109.5	E428 I429 L431 L532 W537 E545 L549	E428-Y547 CarbonylContact C-O 3.57Å; E428-Y547 WeakPolarHBondContact CA-O 3.31Å; I429-Y547 PolarHBondContact N-O 3.22Å; I429-Y547 PolarHBondContact O-N 3.41Å; L431-Y547 HydrophobicContact CB-CD2 3.97Å; L431-Y547 HydrophobicContact CB-CE2 3.86Å; L431-Y547 HydrophobicContact CD1-CD2 3.85Å; L431-Y547 HydrophobicContact CD1-CE2 4.27Å; L431-Y547 HydrophobicContact CG-CD2 3.99Å; L431-Y547 HydrophobicContact CG-CE2 4.38Å; L532-Y547 HydrophobicContact CD1-CD2 4.41Å; L532-Y547 HydrophobicContact CD1-CE1 4.39Å; L532-Y547 HydrophobicContact CD1-CE2 4.26Å; L532-Y547 HydrophobicContact CD2-CD1 3.64Å; L532-Y547 HydrophobicContact CD2-CE1 3.66Å; L532-Y547 HydrophobicContact CD2-CG 4.29Å; W537-Y547 VanDerWaalsContact CH2-OH 3.3Å; W537-Y547 WeakPolarHBondContact CH2-OH 3.13Å; E545-Y547 HydrophobicContact CB-CE1 4.47Å; E545-Y547 HydrophobicContact CB-CE2 4Å; E545-Y547 WeakPolarHBondContact CB-OH 3.48Å; E545-Y547 HydrophobicContact CG-CE1 3.86Å; E545-Y547 HydrophobicContact CG-CE2 4.17Å; E545-Y547 WeakPolarHBondContact O-CD2 3.34Å; E545-Y547 WeakPolarHBondContact O-CE2 3.46Å; E545-Y547 VanDerWaalsContact OE2-CE1 3.23Å; E545-Y547 WeakPolarHBondContact OE2-CE1 3.41Å; E545-Y547 PolarHBondContact OE2-OH 3.08Å; Y547-L549 PolarHBondContact O-N 2.92Å
548	S	90.1	Very high	66.5	Low	61 Å²	61	85 Å²	85	43%	0.427	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.9	178.7	-42.1	0	0	0	0	110	E428 Q550	E428-S548 WeakPolarHBondContact OE1-CB 3.39Å; E428-S548 PolarHBondContact OE1-OG 3.18Å; S548-Q550 PolarHBondContact O-N 2.7Å; S548-Q550 PolarHBondContact O-NE2 3.11Å
549	L	89.4	Confident	64.7	Low	9 Å²	9	82.1 Å²	82.1	5%	0.047	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-70.9	122	-173.9	-64.8	170.6	0	0	0	110.4	G427 I429 L452 V515 Y547	G427-L549 WeakPolarHBondContact O-CB 3.34Å; G427-L549 PolarHBondContact O-N 3.19Å; I429-L549 HydrophobicContact CB-CD2 4.08Å; I429-L549 HydrophobicContact CB-CG 4.47Å; I429-L549 HydrophobicContact CG2-CD2 3.63Å; I429-L549 HydrophobicContact CG2-CG 4.35Å; L452-L549 HydrophobicContact CD2-CD1 3.38Å; V515-L549 HydrophobicContact CB-CD1 4.24Å; V515-L549 HydrophobicContact CG2-CD1 3.78Å; V515-L549 HydrophobicContact CG2-CD2 3.76Å; V515-L549 HydrophobicContact CG2-CG 4.46Å; Y547-L549 PolarHBondContact O-N 2.92Å
550	Q	83.6	Confident	63	Low	109 Å²	109	85.7 Å²	85.7	51%	0.509	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-83.5	148.6	176.4	-58.3	-50.2	-53.9	0	0	110.6	V425 G528 E529 S548	V425-Q550 VanDerWaalsContact CG1-C 3.46Å; V425-Q550 WeakPolarHBondContact CG1-O 3.33Å; G528-Q550 WeakPolarHBondContact CA-O 3.3Å; E529-Q550 PolarHBondContact N-O 3.06Å; E529-Q550 PolarHBondContact O-N 2.96Å; S548-Q550 PolarHBondContact O-N 2.7Å; S548-Q550 PolarHBondContact O-NE2 3.11Å
551	P	78	Confident	62.2	Low	64 Å²	64	84.5 Å²	84.5	42%	0.416	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-55.7	144.1	160	26.7	-33.4	0	0	0	108.8	V425 V553	V425-P551 HydrophobicContact CB-CB 4.04Å; V425-P551 HydrophobicContact CG1-CB 4.34Å; V425-P551 HydrophobicContact CG2-CB 4.32Å; P551-V553 HydrophobicContact CG-CG2 4.36Å; P551-V553 PolarHBondContact O-N 2.66Å
552	R	67.2	Low	61.6	Low	99 Å²	99	88.4 Å²	88.4	37%	0.374	47%	0.467	S	S	.	.			trans	-67.9	86	163.9	-177.8	156.9	-154.9	-122.3	-1.2	107	Y420 F526 E529 E554	Y420-R552 PolarHBondContact OH-NH1 2.76Å; F526-R552 HydrophobicContact CD1-CB 4.2Å; F526-R552 HydrophobicContact CE1-CB 3.55Å; F526-R552 HydrophobicContact CE2-CB 4.08Å; F526-R552 HydrophobicContact CZ-CB 3.48Å; F526-R552 VanDerWaalsContact CZ-CB 3.48Å; E529-R552 VanDerWaalsContact OE1-CB 3.3Å; E529-R552 WeakPolarHBondContact OE1-CB 3.37Å; E529-R552 VanDerWaalsContact OE1-CD 3.32Å; E529-R552 WeakPolarHBondContact OE1-CD 3.48Å; E529-R552 WeakPolarHBondContact OE1-CG 3.48Å; E529-R552 IonicContact OE1-NE 3.14Å; E529-R552 PolarHBondContact OE1-NE 3Å; E529-R552 IonicContact OE2-NE 2.8Å; R552-E554 PolarHBondContact O-N 2.66Å
553	V	50.7	Low	61.7	Low	95 Å²	95	85.5 Å²	85.5	58%	0.576	45%	0.451	S	S	*	.			trans	-59.5	128.1	170.3	-162.8	0	0	0	0	105.1	P551 S555	P551-V553 HydrophobicContact CG-CG2 4.36Å; P551-V553 PolarHBondContact O-N 2.66Å; V553-S555 PolarHBondContact O-N 2.91Å
554	E	41.6	Very low	61.8	Low	153 Å²	153	84.4 Å²	84.4	72%	0.715	44%	0.443	S	S	*	.			trans	-72.2	63.1	154.7	-69.4	-177.8	160.7	0	0	106.9	R552 S556	R552-E554 PolarHBondContact O-N 2.66Å; E554-S556 PolarHBondContact O-N 3.3Å
555	S	33	Very low	61.5	Low	58 Å²	58	79.8 Å²	79.8	41%	0.406	42%	0.422	S	S	.	.			trans	-62.6	134.3	170.1	47.7	0	0	0	0	105.8	V553 T557	V553-S555 PolarHBondContact O-N 2.91Å; S555-T557 PolarHBondContact O-N 3.19Å; S555-T557 PolarHBondContact O-OG1 3.36Å; S555-T557 PolarHBondContact OG-OG1 2.85Å
556	S	36.5	Very low	61.5	Low	98 Å²	98	78 Å²	78	69%	0.685	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-69.2	34.7	174.1	45.1	0	0	0	0	112.2	E554 D558 S559	E554-S556 PolarHBondContact O-N 3.3Å; S556-D558 PolarHBondContact O-N 3.4Å; S556-S559 WeakPolarHBondContact O-CA 3.39Å; S556-S559 WeakPolarHBondContact O-CB 3.42Å; S556-S559 PolarHBondContact O-N 3.07Å; S556-S559 PolarHBondContact O-OG 2.88Å
557	T	34.7	Very low	61.5	Low	83 Å²	83	73.2 Å²	73.2	51%	0.509	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-76.7	-3.3	168.9	45.1	0	0	0	0	112.6	S555 S559 T560	S555-T557 PolarHBondContact O-N 3.19Å; S555-T557 PolarHBondContact O-OG1 3.36Å; S555-T557 PolarHBondContact OG-OG1 2.85Å; T557-S559 PolarHBondContact O-N 3.06Å; T557-T560 WeakPolarHBondContact O-CA 3.38Å; T557-T560 WeakPolarHBondContact O-CB 3.26Å; T557-T560 PolarHBondContact O-N 3.18Å; T557-T560 PolarHBondContact O-OG1 3.34Å
558	D	36.7	Very low	61.6	Low	96 Å²	96	72.6 Å²	72.6	51%	0.513	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-68.8	-12.1	156	-154.8	27.3	0	0	0	111.2	S556	S556-D558 PolarHBondContact O-N 3.4Å
559	S	35.6	Very low	61.7	Low	91 Å²	91	69.7 Å²	69.7	64%	0.636	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-76.5	-4.4	160.4	-49.4	0	0	0	0	113.3	S556 T557 M561	S556-S559 WeakPolarHBondContact O-CA 3.39Å; S556-S559 WeakPolarHBondContact O-CB 3.42Å; S556-S559 PolarHBondContact O-N 3.07Å; S556-S559 PolarHBondContact O-OG 2.88Å; T557-S559 PolarHBondContact O-N 3.06Å; S559-M561 PolarHBondContact O-N 2.88Å
560	T	38.8	Very low	61.8	Low	81 Å²	81	70 Å²	70	50%	0.497	38%	0.376	S	S	.	.	S	Bend	trans	-67.9	90.5	152.2	-39.9	0	0	0	0	104.9	T557 H562	T557-T560 WeakPolarHBondContact O-CA 3.38Å; T557-T560 WeakPolarHBondContact O-CB 3.26Å; T557-T560 PolarHBondContact O-N 3.18Å; T557-T560 PolarHBondContact O-OG1 3.34Å; T560-H562 VanDerWaalsContact C-N 3.26Å; T560-H562 PolarHBondContact O-N 3.36Å
561	M	46.4	Very low	62.2	Low	108 Å²	108	64.9 Å²	64.9	53%	0.532	35%	0.352	S	S	.	.			trans	-60.2	94.6	179.1	-65.3	-173.9	85.8	0	0	108.1	S559 Y563 M741	S559-M561 PolarHBondContact O-N 2.88Å; M561-Y563 PolarHBondContact O-N 2.97Å; M561-M741 HydrophobicContact CE-CB 4.12Å; M561-M741 HydrophobicContact CE-CE 3.69Å; M561-M741 HydrophobicContact CE-SD 3.72Å; M561-M741 HydrophobicContact SD-CE 3.83Å; M561-M741 HydrophobicContact SD-SD 4.08Å
562	H	49.6	Very low	62.6	Low	120 Å²	120	64.5 Å²	64.5	56%	0.556	34%	0.344	S	S	*	.			trans	-68.9	77.2	175.2	-78.9	-60.6	0	0	0	107.9	T560 K564	T560-H562 VanDerWaalsContact C-N 3.26Å; T560-H562 PolarHBondContact O-N 3.36Å; H562-K564 VanDerWaalsContact O-CD 3.26Å; H562-K564 WeakPolarHBondContact O-CD 3.48Å; H562-K564 VanDerWaalsContact O-CG 3.31Å; H562-K564 WeakPolarHBondContact O-CG 3.46Å; H562-K564 PolarHBondContact O-N 3.25Å
563	Y	62.8	Low	63.5	Low	76 Å²	76	60.2 Å²	60.2	30%	0.298	33%	0.328	S	S	.	.			trans	-42.9	107.6	-167.1	179.5	-78.9	0	0	0	110.3	M561 G565 E566 N619 M741	M561-Y563 PolarHBondContact O-N 2.97Å; Y563-G565 VanDerWaalsContact C-N 3.25Å; Y563-G565 VanDerWaalsContact CE1-CA 3.4Å; Y563-E566 HydrophobicContact CE2-CG 4.18Å; Y563-E566 WeakPolarHBondContact CE2-OE1 3.27Å; Y563-E566 WeakPolarHBondContact OH-CG 3.42Å; Y563-E566 PolarHBondContact OH-OE1 3.43Å; Y563-N619 HydrophobicContact CE1-CB 3.7Å; Y563-N619 WeakPolarHBondContact CE1-ND2 3.42Å; Y563-N619 WeakPolarHBondContact CE1-O 3.33Å; Y563-M741 HydrophobicContact CD2-CE 3.93Å; Y563-M741 HydrophobicContact CE2-CE 4.44Å
564	K	69.9	Low	65.1	Low	55 Å²	55	56 Å²	56	24%	0.239	30%	0.302	C	S	.	.			trans	-87.1	1.8	-177.3	-67.5	-49.3	-176.2	-172.7	0	113.5	H562 L620 T621 L695 L742	H562-K564 VanDerWaalsContact O-CD 3.26Å; H562-K564 WeakPolarHBondContact O-CD 3.48Å; H562-K564 VanDerWaalsContact O-CG 3.31Å; H562-K564 WeakPolarHBondContact O-CG 3.46Å; H562-K564 PolarHBondContact O-N 3.25Å; K564-L620 WeakPolarHBondContact O-CA 3.43Å; K564-L620 WeakPolarHBondContact O-CD2 3.2Å; K564-T621 VanDerWaalsContact CD-OG1 3.29Å; K564-T621 WeakPolarHBondContact CD-OG1 3.48Å; K564-T621 PolarHBondContact O-N 3.2Å; K564-L695 WeakPolarHBondContact CB-O 3.44Å; K564-L695 WeakPolarHBondContact CD-O 3.43Å; K564-L695 WeakPolarHBondContact CG-O 3.46Å; K564-L742 HydrophobicContact CB-CB 3.79Å
565	G	78.8	Confident	66.8	Low	1 Å²	1	49.9 Å²	49.9	1%	0.01	28%	0.275	C	S	.	.			trans	105.5	168.9	-166.8	0	0	0	0	0	112.4	Y563 K618 N619 L742	Y563-G565 VanDerWaalsContact C-N 3.25Å; Y563-G565 VanDerWaalsContact CE1-CA 3.4Å; G565-K618 CarbonylContact C-O 3.46Å; G565-K618 WeakPolarHBondContact CA-O 3.44Å; G565-N619 VanDerWaalsContact CA-O 3.26Å; G565-N619 WeakPolarHBondContact CA-O 3.47Å; G565-N619 PolarHBondContact N-O 2.88Å; G565-L742 WeakPolarHBondContact O-CB 3.46Å; G565-L742 PolarHBondContact O-N 3.25Å
566	E	88.1	Confident	68.4	Low	56 Å²	56	48.8 Å²	48.8	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.1	171.9	-83.7	158.1	-134	0	0	109.5	Y563 A617 K618 T739 L740	Y563-E566 HydrophobicContact CE2-CG 4.18Å; Y563-E566 WeakPolarHBondContact CE2-OE1 3.27Å; Y563-E566 WeakPolarHBondContact OH-CG 3.42Å; Y563-E566 PolarHBondContact OH-OE1 3.43Å; E566-A617 CarbonylContact O-C 3.53Å; E566-A617 WeakPolarHBondContact O-CA 3.37Å; E566-A617 VanDerWaalsContact O-CB 3.23Å; E566-A617 WeakPolarHBondContact O-CB 3.33Å; E566-K618 HydrophobicContact CB-CB 4.39Å; E566-K618 PolarHBondContact N-O 3.26Å; E566-K618 PolarHBondContact O-N 3.43Å; E566-T739 HydrophobicContact CB-CG2 3.56Å; E566-T739 HydrophobicContact CG-CG2 3.8Å; E566-T739 WeakPolarHBondContact OE2-CG2 3.28Å; E566-L740 CarbonylContact C-O 3.22Å; E566-L740 WeakPolarHBondContact CA-O 3.46Å
567	L	90.9	Very high	69.6	Low	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.7	172.3	-173.2	71.6	0	0	0	109.6	V569 V614 A617 V633 W660 L681 V683 V698 T739 L740 L742	L567-V569 HydrophobicContact CD2-CG1 4.02Å; L567-V569 HydrophobicContact CG-CG1 3.95Å; L567-V614 HydrophobicContact CD1-CG1 4.29Å; L567-A617 HydrophobicContact CD1-CB 4.01Å; L567-V633 HydrophobicContact CD1-CG2 4.22Å; L567-W660 HydrophobicContact CD1-CH2 4.48Å; L567-W660 HydrophobicContact CD1-CZ3 3.8Å; L567-L681 HydrophobicContact CD2-CB 4.19Å; L567-L681 HydrophobicContact CD2-CD1 4.16Å; L567-V683 HydrophobicContact CD1-CG2 4.16Å; L567-V683 HydrophobicContact CD2-CG2 4.43Å; L567-V698 HydrophobicContact CD2-CG2 3.98Å; L567-T739 WeakPolarHBondContact O-CA 3.14Å; L567-L740 PolarHBondContact N-O 2.68Å; L567-L740 PolarHBondContact O-N 3.14Å; L567-L742 HydrophobicContact CB-CD2 4Å; L567-L742 HydrophobicContact CB-CG 4.21Å; L567-L742 HydrophobicContact CD2-CD2 4.41Å
568	T	91.6	Very high	70.6	Confident	12 Å²	12	51.7 Å²	51.7	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.8	176.2	-55.7	0	0	0	0	109.9	K615 G616 E737 C738 T739	T568-K615 HydrophobicContact CG2-CB 4.25Å; T568-K615 HydrophobicContact CG2-CD 4.09Å; T568-K615 PolarHBondContact O-N 3.38Å; T568-K615 VanDerWaalsContact O-N 3.17Å; T568-G616 PolarHBondContact N-O 3.06Å; T568-G616 PolarHBondContact O-N 3.04Å; T568-E737 HydrophobicContact CG2-CG 4.36Å; T568-C738 WeakPolarHBondContact CA-O 3.45Å; T568-T739 PolarHBondContact OG1-OG1 2.82Å
569	V	92.4	Very high	71.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.8	-178.9	-61.6	0	0	0	0	111.2	L567 L571 L612 L613 L681 L700 E737 C738 L740	L567-V569 HydrophobicContact CD2-CG1 4.02Å; L567-V569 HydrophobicContact CG-CG1 3.95Å; V569-L571 HydrophobicContact CB-CD1 4.22Å; V569-L571 HydrophobicContact CG2-CD1 3.58Å; V569-L612 HydrophobicContact CB-CD1 3.94Å; V569-L612 HydrophobicContact CG1-CD1 4.36Å; V569-L612 HydrophobicContact CG2-CD1 4.32Å; V569-L613 CarbonylContact C-O 3.33Å; V569-L613 WeakPolarHBondContact CA-O 3.42Å; V569-L681 HydrophobicContact CG1-CD1 4.08Å; V569-L700 HydrophobicContact CG2-CD1 4.22Å; V569-E737 WeakPolarHBondContact O-CA 3.45Å; V569-C738 WeakPolarHBondContact CG2-SG 3.01Å; V569-C738 PolarHBondContact N-O 3.03Å; V569-C738 PolarHBondContact O-N 3Å; V569-C738 VanDerWaalsContact O-O 3.11Å; V569-L740 HydrophobicContact CG2-CD1 3.86Å
570	V	91.6	Very high	72	Confident	16 Å²	16	49.9 Å²	49.9	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	173	-166.8	0	0	0	0	108.8	L612 L613 K615 P735 Q736 E737	V570-L612 CarbonylContact O-C 3.58Å; V570-L612 WeakPolarHBondContact O-CA 3.39Å; V570-L613 HydrophobicContact CB-CB 4.18Å; V570-L613 HydrophobicContact CG2-CD2 4.35Å; V570-L613 PolarHBondContact N-O 2.82Å; V570-L613 PolarHBondContact O-N 2.9Å; V570-K615 HydrophobicContact CG2-CD 3.87Å; V570-K615 HydrophobicContact CG2-CG 4.2Å; V570-P735 HydrophobicContact CG1-CB 3.58Å; V570-Q736 CarbonylContact C-O 3.44Å; V570-Q736 WeakPolarHBondContact CA-O 3.37Å; V570-E737 HydrophobicContact CG1-CB 4.32Å; V570-E737 HydrophobicContact CG2-CB 3.98Å; V570-E737 HydrophobicContact CG2-CG 3.96Å
571	L	90.4	Very high	72.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.2	-179.6	-81.1	79.9	0	0	0	110.3	V569 L612 L700 V724 W725 M728 Q736	V569-L571 HydrophobicContact CB-CD1 4.22Å; V569-L571 HydrophobicContact CG2-CD1 3.58Å; L571-L612 HydrophobicContact CD1-CD1 3.37Å; L571-L612 HydrophobicContact CG-CD1 3.65Å; L571-L700 HydrophobicContact CD1-CD1 3.6Å; L571-L700 HydrophobicContact CD2-CB 4.32Å; L571-L700 HydrophobicContact CD2-CD1 3.79Å; L571-L700 HydrophobicContact CG-CD1 4.28Å; L571-V724 HydrophobicContact CD1-CG2 4.43Å; L571-W725 HydrophobicContact CD2-CE3 3.82Å; L571-W725 HydrophobicContact CD2-CZ3 4.08Å; L571-M728 HydrophobicContact CB-CG 4.26Å; L571-M728 HydrophobicContact CB-SD 3.87Å; L571-M728 HydrophobicContact CD2-SD 3.99Å; L571-M728 HydrophobicContact CG-SD 4.43Å; L571-Q736 PolarHBondContact N-O 3.44Å; L571-Q736 PolarHBondContact O-N 3.33Å
572	K	88.3	Confident	72.1	Confident	56 Å²	56	50.3 Å²	50.3	24%	0.243	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	127.5	177.4	175.5	-177.5	161.5	-143.3	0	109.2	V610 E611 E733 P735	K572-V610 WeakPolarHBondContact O-CA 3.15Å; K572-E611 HydrophobicContact CB-CB 4.38Å; K572-E611 WeakPolarHBondContact CD-OE2 3.33Å; K572-E611 WeakPolarHBondContact CE-OE2 3.12Å; K572-E611 PolarHBondContact N-O 3.07Å; K572-E611 IonicContact NZ-OE2 2.66Å; K572-E611 PolarHBondContact NZ-OE2 3.49Å; K572-E611 PolarHBondContact O-N 3.48Å; K572-E733 WeakPolarHBondContact CE-O 3.32Å; K572-P735 HydrophobicContact CB-CB 4.47Å
573	Y	85.1	Confident	71.5	Confident	10 Å²	10	49.4 Å²	49.4	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.3	172.2	175.5	-114.4	0	0	0	110.5	P575 M609 V610 D671 L674 P732 E733	Y573-P575 HydrophobicContact CD1-CG 4.23Å; Y573-P575 HydrophobicContact CE1-CB 4.19Å; Y573-P575 HydrophobicContact CE1-CG 3.81Å; Y573-M609 CarbonylContact C-O 3.6Å; Y573-M609 WeakPolarHBondContact CA-O 3.45Å; Y573-M609 WeakPolarHBondContact CD2-O 3.18Å; Y573-V610 HydrophobicContact CD2-CG2 3.77Å; Y573-D671 PolarHBondContact OH-OD1 2.6Å; Y573-D671 VanDerWaalsContact OH-OD1 3.06Å; Y573-L674 HydrophobicContact CD1-CD1 4.02Å; Y573-L674 HydrophobicContact CD2-CD1 4.27Å; Y573-L674 HydrophobicContact CD2-CD2 4.07Å; Y573-L674 HydrophobicContact CE1-CD1 3.76Å; Y573-L674 HydrophobicContact CE2-CD1 4Å; Y573-L674 HydrophobicContact CE2-CD2 3.95Å; Y573-L674 HydrophobicContact CE2-CG 4.47Å; Y573-L674 HydrophobicContact CG-CD1 4.27Å; Y573-P732 HydrophobicContact CD1-CB 4.21Å; Y573-E733 WeakPolarHBondContact O-CA 3.08Å; Y573-E733 PolarHBondContact O-N 2.89Å
574	I	84	Confident	70.9	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.036	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112	175.2	-51.6	178.7	0	0	0	107.8	N579 L582 G608 M609 E611	I574-N579 WeakPolarHBondContact CG2-OD1 3.48Å; I574-L582 HydrophobicContact CD1-CD1 4.23Å; I574-L582 HydrophobicContact CG2-CD1 4.46Å; I574-G608 CarbonylContact O-C 3.42Å; I574-G608 WeakPolarHBondContact O-CA 3.47Å; I574-M609 HydrophobicContact CB-CB 4.32Å; I574-M609 HydrophobicContact CD1-SD 4.28Å; I574-M609 PolarHBondContact N-O 3.41Å; I574-M609 PolarHBondContact O-N 3.03Å; I574-E611 HydrophobicContact CD1-CG 4.45Å
575	P	77.6	Confident	69.5	Low	23 Å²	23	58.2 Å²	58.2	15%	0.149	31%	0.312	C	S	.	.			trans	-60	151.1	178.9	-25.3	34.2	0	0	0	113.8	Y573 E577 K578 N579 P732	Y573-P575 HydrophobicContact CD1-CG 4.23Å; Y573-P575 HydrophobicContact CE1-CB 4.19Å; Y573-P575 HydrophobicContact CE1-CG 3.81Å; P575-E577 PolarHBondContact O-N 3.23Å; P575-E577 VanDerWaalsContact O-N 3.14Å; P575-K578 PolarHBondContact O-N 3.34Å; P575-K578 VanDerWaalsContact O-N 3.14Å; P575-N579 PolarHBondContact O-N 3.09Å; P575-P732 HydrophobicContact CG-CB 3.81Å
576	A	66.3	Low	67.7	Low	35 Å²	35	67 Å²	67	29%	0.289	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.8	-178.3	0	0	0	0	0	113.3	K578 N579 G607	A576-K578 VanDerWaalsContact C-N 3.26Å; A576-K578 PolarHBondContact O-N 3.1Å; A576-N579 PolarHBondContact O-N 3.26Å; A576-G607 VanDerWaalsContact CB-C 3.43Å
577	E	61.1	Low	65.6	Low	155 Å²	155	68 Å²	68	72%	0.724	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.2	-177.5	-53.5	-174.1	146.5	0	0	113.3	P575	P575-E577 PolarHBondContact O-N 3.23Å; P575-E577 VanDerWaalsContact O-N 3.14Å
578	K	56.3	Low	63	Low	88 Å²	88	77.1 Å²	77.1	38%	0.383	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-10.6	-175.4	-63.6	-174.1	-179.1	-174.2	0	114.3	P575 A576 L580 T581 E733	P575-K578 PolarHBondContact O-N 3.34Å; P575-K578 VanDerWaalsContact O-N 3.14Å; A576-K578 VanDerWaalsContact C-N 3.26Å; A576-K578 PolarHBondContact O-N 3.1Å; K578-L580 PolarHBondContact O-N 3.13Å; K578-L580 VanDerWaalsContact O-N 3.07Å; K578-T581 PolarHBondContact O-N 3.24Å; K578-T581 PolarHBondContact O-OG1 3.45Å; K578-E733 WeakPolarHBondContact CD-OE1 3.32Å; K578-E733 IonicContact NZ-OE1 2.63Å; K578-E733 PolarHBondContact NZ-OE1 2.98Å; K578-E733 IonicContact NZ-OE2 2.66Å; K578-E733 PolarHBondContact NZ-OE2 2.92Å
579	N	52.1	Low	60.5	Low	17 Å²	17	81.5 Å²	81.5	9%	0.091	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.3	166.3	-80.9	-36.4	0	0	0	112.6	I574 P575 A576 G607	I574-N579 WeakPolarHBondContact CG2-OD1 3.48Å; P575-N579 PolarHBondContact O-N 3.09Å; A576-N579 PolarHBondContact O-N 3.26Å; N579-G607 PolarHBondContact ND2-O 3.26Å
580	L	49.2	Very low	57.6	Low	132 Å²	132	90 Å²	90	69%	0.691	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.7	173.7	-73.7	157.9	0	0	0	114.9	K578 L604	K578-L580 PolarHBondContact O-N 3.13Å; K578-L580 VanDerWaalsContact O-N 3.07Å; L580-L604 HydrophobicContact CD2-CD2 3.6Å; L580-L604 HydrophobicContact CG-CD2 4.11Å
581	T	42.4	Very low	55	Low	108 Å²	108	99.2 Å²	99.2	66%	0.663	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	0.4	-171.3	47.4	0	0	0	0	115.1	K578	K578-T581 PolarHBondContact O-N 3.24Å; K578-T581 PolarHBondContact O-OG1 3.45Å
582	L	44.9	Very low	52.3	Low	89 Å²	89	103.9 Å²	103.9	47%	0.466	54%	0.54	S	S	.	.	S	Bend	trans	-72.5	128	175.8	-71.5	171.2	0	0	0	111.7	I574	I574-L582 HydrophobicContact CD1-CD1 4.23Å; I574-L582 HydrophobicContact CG2-CD1 4.46Å
583	P	37.8	Very low	49.8	Very low	101 Å²	101	109.7 Å²	109.7	66%	0.656	57%	0.565	S	S	*	*			trans	-60.7	138.8	173.2	-24.1	34.9	0	0	0	112.3	D585	P583-D585 PolarHBondContact O-N 3.48Å
584	L	49.8	Very low	47.7	Very low	155 Å²	155	117.1 Å²	117.1	81%	0.812	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	0.7	-169.4	-160.4	64	0	0	0	115.1	F602	L584-F602 HydrophobicContact CD1-CZ 4.48Å
585	D	41.3	Very low	45.5	Very low	162 Å²	162	127.3 Å²	127.3	87%	0.866	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-16.1	-164.9	-157.6	43.9	0	0	0	114.3	P583	P583-D585 PolarHBondContact O-N 3.48Å
586	Q	41.6	Very low	43.2	Very low	184 Å²	184	129.5 Å²	129.5	86%	0.86	68%	0.676	S	S	*	*	S	Bend	trans	-104.9	-11.9	-175.7	-127.1	176.9	36.4	0	0	115.3	Q588	Q586-Q588 PolarHBondContact O-N 3.18Å
587	V	42.1	Very low	41.8	Very low	77 Å²	77	137.7 Å²	137.7	47%	0.467	71%	0.705	S	S	.	*			trans	-86.8	95.1	178.5	-163.8	0	0	0	0	109.9	V589	V587-V589 HydrophobicContact CB-CG2 4.37Å; V587-V589 HydrophobicContact CG1-CG2 3.58Å; V587-V589 PolarHBondContact O-N 2.96Å
588	Q	37	Very low	40.8	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	71%	0.71	S	S	*	*			trans	-71.6	65.4	173.4	-68.2	-164.3	9.9	0	0	112.3	Q586 K590	Q586-Q588 PolarHBondContact O-N 3.18Å; Q588-K590 PolarHBondContact O-N 3.3Å
589	V	39	Very low	40	Very low	104 Å²	104	142 Å²	142	63%	0.63	73%	0.733	S	S	*	*			trans	-66	100.6	167.8	-171.5	0	0	0	0	108.3	V587 K591	V587-V589 HydrophobicContact CB-CG2 4.37Å; V587-V589 HydrophobicContact CG1-CG2 3.58Å; V587-V589 PolarHBondContact O-N 2.96Å; V589-K591 PolarHBondContact O-N 2.97Å
590	K	32.7	Very low	39	Very low	179 Å²	179	147 Å²	147	78%	0.778	77%	0.769	S	S	*	*			trans	-52.2	129.1	174.9	-145.1	168.6	-172.4	172.7	0	108.6	Q588 S592	Q588-K590 PolarHBondContact O-N 3.3Å; K590-S592 PolarHBondContact O-N 3.08Å; K590-S592 PolarHBondContact O-OG 3.4Å
591	K	37.1	Very low	38	Very low	210 Å²	210	145.4 Å²	145.4	91%	0.913	77%	0.769	S	S	*	*	S	Bend	trans	-70.9	39.4	-163.6	-65.2	-179.6	176.6	174.1	0	115.9	V589	V589-K591 PolarHBondContact O-N 2.97Å
592	S	33.1	Very low	37.7	Very low	98 Å²	98	147.9 Å²	147.9	69%	0.685	77%	0.771	S	S	*	*			trans	-85.3	-13.9	-177.4	53.2	0	0	0	0	115	K590 L594	K590-S592 PolarHBondContact O-N 3.08Å; K590-S592 PolarHBondContact O-OG 3.4Å; S592-L594 PolarHBondContact O-N 3.44Å
593	F	36	Very low	37.3	Very low	177 Å²	177	149.4 Å²	149.4	78%	0.776	79%	0.785	S	S	*	*	S	Bend	trans	-88	4.6	-171.9	-97.4	-85.6	0	0	0	116.4
594	L	41.4	Very low	37.7	Very low	166 Å²	166	147.7 Å²	147.7	87%	0.869	77%	0.769	S	S	*	*			trans	-125.3	84.6	-176.3	-70.6	177.7	0	0	0	113.8	S592	S592-L594 PolarHBondContact O-N 3.44Å
595	K	35.9	Very low	37.8	Very low	221 Å²	221	143.3 Å²	143.3	96%	0.961	75%	0.75	S	S	*	*			trans	-135	42.2	159.3	-149	167.2	-173.5	173.9	0	112.4
596	G	30.8	Very low	38.3	Very low	69 Å²	69	145.6 Å²	145.6	71%	0.711	75%	0.753	S	S	*	*	S	Bend	trans	-116.3	140	173.1	0	0	0	0	0	111.7	K598	G596-K598 PolarHBondContact O-N 3.16Å
597	K	35.6	Very low	39.6	Very low	207 Å²	207	137.2 Å²	137.2	90%	0.9	72%	0.715	S	S	*	*			trans	-67.8	129.2	-174.4	-77.8	174.4	174.1	172.8	0	113
598	K	41.1	Very low	41.2	Very low	190 Å²	190	133.5 Å²	133.5	83%	0.826	69%	0.693	S	S	*	*	S	Bend	trans	42.1	128.6	148.1	-65.8	-170	174.5	-172	0	119.5	G596	G596-K598 PolarHBondContact O-N 3.16Å
599	T	39.8	Very low	43.4	Very low	143 Å²	143	125.4 Å²	125.4	88%	0.877	66%	0.655	S	S	*	*			trans	61.1	76.7	155.7	56.5	0	0	0	0	117.7
600	S	30.2	Very low	45.6	Very low	122 Å²	122	120.6 Å²	120.6	85%	0.853	63%	0.626	S	S	*	*			trans	-147.4	161.1	146.4	58.9	0	0	0	0	110.4
601	S	29.2	Very low	48.2	Very low	99 Å²	99	114.3 Å²	114.3	69%	0.692	60%	0.599	S	S	*	*			trans	-63	150.1	-172.4	-171	0	0	0	0	113.9	T603	S601-T603 PolarHBondContact O-N 3.07Å
602	F	35.7	Very low	50.7	Low	160 Å²	160	104.3 Å²	104.3	70%	0.702	56%	0.556	S	S	*	*			trans	-68	94.5	165.7	177.4	-97.1	0	0	0	109.4	L584 L604	L584-F602 HydrophobicContact CD1-CZ 4.48Å; F602-L604 HydrophobicContact CE1-CD1 4.03Å; F602-L604 HydrophobicContact CZ-CD1 4.48Å; F602-L604 PolarHBondContact O-N 3.18Å
603	T	37.3	Very low	53.5	Low	121 Å²	121	101.9 Å²	101.9	74%	0.742	54%	0.535	S	S	*	.			trans	-83.1	103.3	174.1	53.1	0	0	0	0	110.1	S601	S601-T603 PolarHBondContact O-N 3.07Å
604	L	44.8	Very low	56.1	Low	65 Å²	65	93.5 Å²	93.5	34%	0.34	50%	0.498	S	S	.	.			trans	-53.6	141.5	168.8	-165.4	74	0	0	0	110.5	L580 F602 K606	L580-L604 HydrophobicContact CD2-CD2 3.6Å; L580-L604 HydrophobicContact CG-CD2 4.11Å; F602-L604 HydrophobicContact CE1-CD1 4.03Å; F602-L604 HydrophobicContact CZ-CD1 4.48Å; F602-L604 PolarHBondContact O-N 3.18Å; L604-K606 PolarHBondContact O-N 3.33Å
605	P	51.6	Low	58.5	Low	63 Å²	63	88.5 Å²	88.5	41%	0.409	47%	0.47	S	S	.	.			trans	-58.3	120	179.3	-25.1	34.8	0	0	0	112.1	G607 C667	P605-G607 VanDerWaalsContact C-N 3.33Å; P605-G607 PolarHBondContact O-N 3.27Å; P605-C667 HydrophobicContact CB-CB 4.16Å; P605-C667 HydrophobicContact CG-CB 4.36Å
606	K	52.5	Low	61	Low	211 Å²	211	78.2 Å²	78.2	92%	0.917	43%	0.427	S	S	*	.	S	Bend	trans	-82.1	77.8	175	-69.6	-172.9	175.7	-173.9	0	110.4	L604	L604-K606 PolarHBondContact O-N 3.33Å
607	G	68.3	Low	63.9	Low	7 Å²	7	75.1 Å²	75.1	7%	0.072	39%	0.394	C	S	.	.	S	Bend	trans	168.8	175.5	176.3	0	0	0	0	0	112.1	A576 N579 P605	A576-G607 VanDerWaalsContact CB-C 3.43Å; N579-G607 PolarHBondContact ND2-O 3.26Å; P605-G607 VanDerWaalsContact C-N 3.33Å; P605-G607 PolarHBondContact O-N 3.27Å
608	G	76.4	Confident	66.3	Low	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	168.8	170.5	0	0	0	0	0	112.4	I574 G668 L669	I574-G608 CarbonylContact O-C 3.42Å; I574-G608 WeakPolarHBondContact O-CA 3.47Å; G608-G668 PolarHBondContact O-N 2.75Å; G608-L669 WeakPolarHBondContact CA-O 3.03Å; G608-L669 PolarHBondContact N-O 2.76Å; G608-L669 PolarHBondContact O-N 3.37Å
609	M	82.5	Confident	68.3	Low	21 Å²	21	65.7 Å²	65.7	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.9	-177.3	-176.4	-169.6	-55	0	0	110.1	Y573 I574 E611 T665 Y666	Y573-M609 CarbonylContact C-O 3.6Å; Y573-M609 WeakPolarHBondContact CA-O 3.45Å; Y573-M609 WeakPolarHBondContact CD2-O 3.18Å; I574-M609 HydrophobicContact CB-CB 4.32Å; I574-M609 HydrophobicContact CD1-SD 4.28Å; I574-M609 PolarHBondContact N-O 3.41Å; I574-M609 PolarHBondContact O-N 3.03Å; M609-E611 HydrophobicContact CG-CG 4.43Å; M609-E611 HydrophobicContact SD-CG 4.09Å; M609-T665 HydrophobicContact CG-CG2 3.68Å; M609-T665 HydrophobicContact SD-CG2 3.42Å; M609-T665 WeakPolarHBondContact SD-CG2 3.42Å; M609-Y666 CarbonylContact C-O 3.51Å; M609-Y666 VanDerWaalsContact CA-O 3.26Å; M609-Y666 WeakPolarHBondContact CA-O 3.35Å
610	V	85.8	Confident	70.3	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.6	166.6	172.4	0	0	0	0	108.7	K572 Y573 Y666 L669 L674 L679 M728	K572-V610 WeakPolarHBondContact O-CA 3.15Å; Y573-V610 HydrophobicContact CD2-CG2 3.77Å; V610-Y666 PolarHBondContact N-O 2.88Å; V610-Y666 PolarHBondContact O-N 2.92Å; V610-L669 HydrophobicContact CB-CD1 4.28Å; V610-L669 HydrophobicContact CG2-CD1 3.66Å; V610-L674 HydrophobicContact CG2-CD2 4.36Å; V610-L679 HydrophobicContact CG1-CD2 4.49Å; V610-M728 HydrophobicContact CG1-SD 4.14Å; V610-M728 HydrophobicContact CG2-CE 4.29Å; V610-M728 HydrophobicContact CG2-SD 4.37Å
611	E	87.2	Confident	72.5	Confident	47 Å²	47	55.4 Å²	55.4	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.1	167.3	-60.3	-171.9	109.7	0	0	109.2	K572 I574 M609 T663 T665	K572-E611 HydrophobicContact CB-CB 4.38Å; K572-E611 WeakPolarHBondContact CD-OE2 3.33Å; K572-E611 WeakPolarHBondContact CE-OE2 3.12Å; K572-E611 PolarHBondContact N-O 3.07Å; K572-E611 IonicContact NZ-OE2 2.66Å; K572-E611 PolarHBondContact NZ-OE2 3.49Å; K572-E611 PolarHBondContact O-N 3.48Å; I574-E611 HydrophobicContact CD1-CG 4.45Å; M609-E611 HydrophobicContact CG-CG 4.43Å; M609-E611 HydrophobicContact SD-CG 4.09Å; E611-T663 HydrophobicContact CB-CG2 4.32Å; E611-T665 HydrophobicContact CG-CG2 4.39Å
612	L	90.4	Very high	74.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.5	172.2	173.9	84.2	0	0	0	108.8	V569 V570 L571 V614 T663 F664 L679 L681	V569-L612 HydrophobicContact CB-CD1 3.94Å; V569-L612 HydrophobicContact CG1-CD1 4.36Å; V569-L612 HydrophobicContact CG2-CD1 4.32Å; V570-L612 CarbonylContact O-C 3.58Å; V570-L612 WeakPolarHBondContact O-CA 3.39Å; L571-L612 HydrophobicContact CD1-CD1 3.37Å; L571-L612 HydrophobicContact CG-CD1 3.65Å; L612-V614 HydrophobicContact CD2-CG2 3.79Å; L612-V614 HydrophobicContact CG-CG2 4.21Å; L612-T663 CarbonylContact O-C 3.58Å; L612-T663 WeakPolarHBondContact O-CA 3.03Å; L612-F664 HydrophobicContact CB-CB 4.42Å; L612-F664 HydrophobicContact CD2-CD2 3.78Å; L612-F664 HydrophobicContact CD2-CE2 4.41Å; L612-F664 HydrophobicContact CD2-CG 4.46Å; L612-F664 PolarHBondContact N-O 2.84Å; L612-F664 PolarHBondContact O-N 2.75Å; L612-L679 HydrophobicContact CB-CD2 4.05Å; L612-L679 HydrophobicContact CD1-CD2 4.11Å; L612-L679 HydrophobicContact CD2-CD2 3.99Å; L612-L679 HydrophobicContact CD2-CG 4.44Å; L612-L679 HydrophobicContact CG-CD2 4.26Å; L612-L681 HydrophobicContact CD1-CD1 4.24Å; L612-L681 HydrophobicContact CD2-CD1 3.73Å; L612-L681 HydrophobicContact CD2-CD2 3.45Å; L612-L681 VanDerWaalsContact CD2-CD2 3.45Å; L612-L681 HydrophobicContact CD2-CG 4.1Å
613	L	90.9	Very high	76.1	Confident	48 Å²	48	48 Å²	48	25%	0.251	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	111.9	168.6	171.5	62.6	0	0	0	109.8	V569 V570 K615 N661	V569-L613 CarbonylContact C-O 3.33Å; V569-L613 WeakPolarHBondContact CA-O 3.42Å; V570-L613 HydrophobicContact CB-CB 4.18Å; V570-L613 HydrophobicContact CG2-CD2 4.35Å; V570-L613 PolarHBondContact N-O 2.82Å; V570-L613 PolarHBondContact O-N 2.9Å; L613-K615 HydrophobicContact CD2-CG 4.11Å; L613-K615 HydrophobicContact CG-CG 4.11Å; L613-K615 PolarHBondContact O-N 3.23Å; L613-N661 VanDerWaalsContact CD1-C 3.4Å
614	V	91.5	Very high	77.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	97.1	169.9	-172.9	0	0	0	0	108	L567 L612 V633 T649 W660 N661 H662 F664	L567-V614 HydrophobicContact CD1-CG1 4.29Å; L612-V614 HydrophobicContact CD2-CG2 3.79Å; L612-V614 HydrophobicContact CG-CG2 4.21Å; V614-V633 HydrophobicContact CG1-CB 4.46Å; V614-V633 HydrophobicContact CG1-CG2 3.98Å; V614-T649 HydrophobicContact CG1-CG2 4.49Å; V614-W660 HydrophobicContact CG1-CE3 3.75Å; V614-W660 HydrophobicContact CG1-CZ3 4.23Å; V614-N661 WeakPolarHBondContact O-CA 3.3Å; V614-N661 PolarHBondContact O-N 2.93Å; V614-N661 VanDerWaalsContact O-N 3.09Å; V614-H662 PolarHBondContact N-O 3.23Å; V614-H662 PolarHBondContact O-N 2.89Å; V614-F664 HydrophobicContact CG2-CD2 4.25Å; V614-F664 HydrophobicContact CG2-CE2 3.92Å; V614-F664 HydrophobicContact CG2-CZ 4.11Å
615	K	90.3	Very high	77.9	Confident	61 Å²	61	48.5 Å²	48.5	27%	0.265	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-57.3	-179.9	-81.2	-178.3	159.8	-175.5	0	111.1	T568 V570 L613 Q659 W660 N661 E737	T568-K615 HydrophobicContact CG2-CB 4.25Å; T568-K615 HydrophobicContact CG2-CD 4.09Å; T568-K615 PolarHBondContact O-N 3.38Å; T568-K615 VanDerWaalsContact O-N 3.17Å; V570-K615 HydrophobicContact CG2-CD 3.87Å; V570-K615 HydrophobicContact CG2-CG 4.2Å; L613-K615 HydrophobicContact CD2-CG 4.11Å; L613-K615 HydrophobicContact CG-CG 4.11Å; L613-K615 PolarHBondContact O-N 3.23Å; K615-Q659 CarbonylContact O-C 3.54Å; K615-Q659 WeakPolarHBondContact O-CA 3.19Å; K615-W660 PolarHBondContact O-N 3Å; K615-N661 PolarHBondContact O-N 3.23Å; K615-N661 PolarHBondContact O-OD1 3.48Å; K615-E737 VanDerWaalsContact CD-OE1 3.27Å; K615-E737 WeakPolarHBondContact CD-OE1 3.19Å; K615-E737 WeakPolarHBondContact CE-OE1 3.48Å; K615-E737 IonicContact NZ-OE1 4Å; K615-E737 PolarHBondContact NZ-OE1 2.86Å; K615-E737 IonicContact NZ-OE2 2.7Å; K615-E737 PolarHBondContact NZ-OE2 2.83Å
616	G	90.1	Very high	78.1	Confident	6 Å²	6	48.4 Å²	48.4	6%	0.062	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-179.7	-174.2	0	0	0	0	0	113	T568 P658	T568-G616 PolarHBondContact N-O 3.06Å; T568-G616 PolarHBondContact O-N 3.04Å; G616-P658 CarbonylContact C-O 3.55Å; G616-P658 WeakPolarHBondContact CA-O 3.18Å
617	A	90.3	Very high	78.7	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.5	168.5	0	0	0	0	0	110.4	E566 L567 L620 N657 P658 W660	E566-A617 CarbonylContact O-C 3.53Å; E566-A617 WeakPolarHBondContact O-CA 3.37Å; E566-A617 VanDerWaalsContact O-CB 3.23Å; E566-A617 WeakPolarHBondContact O-CB 3.33Å; L567-A617 HydrophobicContact CD1-CB 4.01Å; A617-L620 HydrophobicContact CB-CD1 3.96Å; A617-L620 HydrophobicContact CB-CD2 3.82Å; A617-L620 HydrophobicContact CB-CG 3.88Å; A617-N657 CarbonylContact O-C 3.59Å; A617-N657 VanDerWaalsContact O-CA 3.27Å; A617-N657 WeakPolarHBondContact O-CA 3.4Å; A617-P658 HydrophobicContact CB-CG 3.9Å; A617-P658 PolarHBondContact N-O 3.36Å; A617-P658 WeakPolarHBondContact O-CD 3.42Å; A617-W660 HydrophobicContact CB-CH2 3.86Å; A617-W660 HydrophobicContact CB-CZ3 3.83Å
618	K	86.4	Confident	78.9	Confident	104 Å²	104	42.3 Å²	42.3	45%	0.452	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.6	178.1	-62.5	176.2	-172.5	165.9	0	110.8	G565 E566 L620 V656 N657	G565-K618 CarbonylContact C-O 3.46Å; G565-K618 WeakPolarHBondContact CA-O 3.44Å; E566-K618 HydrophobicContact CB-CB 4.39Å; E566-K618 PolarHBondContact N-O 3.26Å; E566-K618 PolarHBondContact O-N 3.43Å; K618-L620 PolarHBondContact O-N 3.36Å; K618-L620 VanDerWaalsContact O-N 3.1Å; K618-V656 CarbonylContact C-O 3.53Å; K618-N657 VanDerWaalsContact CA-OD1 3.29Å; K618-N657 WeakPolarHBondContact CA-OD1 3.31Å
619	N	82.6	Confident	79.1	Confident	96 Å²	96	42.3 Å²	42.3	51%	0.513	26%	0.264	S	S	.	.	S	Bend	trans	47.3	42.1	172	-170.8	31.1	0	0	0	113	Y563 G565 V656 N657	Y563-N619 HydrophobicContact CE1-CB 3.7Å; Y563-N619 WeakPolarHBondContact CE1-ND2 3.42Å; Y563-N619 WeakPolarHBondContact CE1-O 3.33Å; G565-N619 VanDerWaalsContact CA-O 3.26Å; G565-N619 WeakPolarHBondContact CA-O 3.47Å; G565-N619 PolarHBondContact N-O 2.88Å; N619-V656 PolarHBondContact N-O 3.02Å; N619-V656 VanDerWaalsContact N-O 3.16Å; N619-N657 PolarHBondContact N-OD1 2.94Å
620	L	82.6	Confident	79.3	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-60.1	147.8	175.6	-69	175.8	0	0	0	110.7	K564 A617 K618 A622 P631 V656 P658 V683 L695 L742	K564-L620 WeakPolarHBondContact O-CA 3.43Å; K564-L620 WeakPolarHBondContact O-CD2 3.2Å; A617-L620 HydrophobicContact CB-CD1 3.96Å; A617-L620 HydrophobicContact CB-CD2 3.82Å; A617-L620 HydrophobicContact CB-CG 3.88Å; K618-L620 PolarHBondContact O-N 3.36Å; K618-L620 VanDerWaalsContact O-N 3.1Å; L620-A622 PolarHBondContact O-N 2.79Å; L620-A622 VanDerWaalsContact O-N 3.12Å; L620-P631 HydrophobicContact CD1-CB 3.52Å; L620-P631 HydrophobicContact CD1-CG 3.86Å; L620-V656 HydrophobicContact CB-CB 4.25Å; L620-V656 WeakPolarHBondContact CB-O 3.31Å; L620-V656 PolarHBondContact N-O 2.92Å; L620-V656 WeakPolarHBondContact O-CB 3.48Å; L620-V656 WeakPolarHBondContact O-CG1 3.45Å; L620-P658 HydrophobicContact CD1-CG 3.75Å; L620-V683 HydrophobicContact CD1-CG1 4.23Å; L620-V683 HydrophobicContact CD2-CG1 4.2Å; L620-L695 HydrophobicContact CD1-CD1 4.15Å; L620-L742 HydrophobicContact CD2-CD1 3.38Å
621	T	76.1	Confident	79.4	Confident	45 Å²	45	42.2 Å²	42.2	28%	0.276	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-57.6	121.6	172.2	-55.1	0	0	0	0	110.8	K564 V623 S629	K564-T621 VanDerWaalsContact CD-OG1 3.29Å; K564-T621 WeakPolarHBondContact CD-OG1 3.48Å; K564-T621 PolarHBondContact O-N 3.2Å; T621-V623 PolarHBondContact O-N 2.59Å; T621-S629 PolarHBondContact O-OG 3.4Å; T621-S629 VanDerWaalsContact O-OG 3.11Å
622	A	74.1	Confident	79.6	Confident	45 Å²	45	40.3 Å²	40.3	37%	0.372	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-69.4	122.4	169.3	0	0	0	0	0	110	L620 G627 V656	L620-A622 PolarHBondContact O-N 2.79Å; L620-A622 VanDerWaalsContact O-N 3.12Å; A622-G627 WeakPolarHBondContact CB-O 3.24Å; A622-V656 HydrophobicContact CB-CG1 4.11Å
623	V	66.4	Low	79.6	Confident	57 Å²	57	40.3 Å²	40.3	35%	0.345	26%	0.255	S	S	.	.			trans	-103.3	-26.9	-179.7	173.1	0	0	0	0	112.2	T621 S629 V693 L695	T621-V623 PolarHBondContact O-N 2.59Å; V623-S629 PolarHBondContact N-OG 3.3Å; V623-V693 HydrophobicContact CG1-CB 4.2Å; V623-V693 HydrophobicContact CG1-CG1 4.1Å; V623-V693 HydrophobicContact CG1-CG2 4.06Å; V623-V693 HydrophobicContact CG2-CG1 4.16Å; V623-L695 HydrophobicContact CG2-CD2 3.42Å; V623-L695 VanDerWaalsContact CG2-CD2 3.42Å
624	K	68.9	Low	79.6	Confident	56 Å²	56	39.5 Å²	39.5	24%	0.243	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-89.5	147.7	-177.5	-53.1	173.1	-169.6	172	0	110.3	G626 G627 T628 D630 D685 K686	K624-G626 PolarHBondContact O-N 3.36Å; K624-G627 PolarHBondContact O-N 3.24Å; K624-T628 WeakPolarHBondContact CB-O 3.41Å; K624-T628 WeakPolarHBondContact CG-O 3.45Å; K624-T628 PolarHBondContact N-O 2.89Å; K624-T628 VanDerWaalsContact N-O 3.12Å; K624-D630 VanDerWaalsContact NZ-N 3.13Å; K624-D630 IonicContact NZ-OD1 3.88Å; K624-D630 PolarHBondContact NZ-OD1 3.3Å; K624-D630 IonicContact NZ-OD2 2.72Å; K624-D630 PolarHBondContact NZ-OD2 3Å; K624-D685 WeakPolarHBondContact CE-OD1 3.48Å; K624-D685 WeakPolarHBondContact CE-OD2 3.28Å; K624-D685 IonicContact NZ-OD1 3.1Å; K624-D685 PolarHBondContact NZ-OD1 3.09Å; K624-D685 IonicContact NZ-OD2 2.69Å; K624-K686 PolarHBondContact NZ-O 3.09Å
625	S	51.1	Low	79.4	Confident	141 Å²	141	39.5 Å²	39.5	99%	0.986	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-3	-172.9	-44.4	0	0	0	0	116.4
626	G	56	Low	79.1	Confident	62 Å²	62	38.7 Å²	38.7	64%	0.639	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	28.2	173.4	0	0	0	0	0	113.9	K624 T628	K624-G626 PolarHBondContact O-N 3.36Å; G626-T628 VanDerWaalsContact C-N 3.3Å; G626-T628 PolarHBondContact O-N 3.01Å
627	G	63.8	Low	78.8	Confident	48 Å²	48	39 Å²	39	50%	0.495	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	18.4	173.9	0	0	0	0	0	115.4	A622 K624	A622-G627 WeakPolarHBondContact CB-O 3.24Å; K624-G627 PolarHBondContact O-N 3.24Å
628	T	72.9	Confident	78.3	Confident	41 Å²	41	40.1 Å²	40.1	25%	0.252	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-132.5	164.6	-173.4	53.9	0	0	0	0	112.7	K624 G626 R654	K624-T628 WeakPolarHBondContact CB-O 3.41Å; K624-T628 WeakPolarHBondContact CG-O 3.45Å; K624-T628 PolarHBondContact N-O 2.89Å; K624-T628 VanDerWaalsContact N-O 3.12Å; G626-T628 VanDerWaalsContact C-N 3.3Å; G626-T628 PolarHBondContact O-N 3.01Å; T628-R654 HydrophobicContact CG2-CB 4.28Å; T628-R654 WeakPolarHBondContact CG2-O 3.22Å
629	S	81.3	Confident	77.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	25%	0.249	C	C	.	.			trans	-137.6	164.5	175.7	-63.2	0	0	0	0	109.4	T621 V623 P631 R654 T655	T621-S629 PolarHBondContact O-OG 3.4Å; T621-S629 VanDerWaalsContact O-OG 3.11Å; V623-S629 PolarHBondContact N-OG 3.3Å; S629-P631 VanDerWaalsContact O-CD 3.23Å; S629-P631 WeakPolarHBondContact O-CD 3.46Å; S629-R654 CarbonylContact O-C 3.58Å; S629-R654 VanDerWaalsContact O-CA 3.26Å; S629-R654 WeakPolarHBondContact O-CA 3.49Å; S629-R654 PolarHBondContact O-N 2.88Å; S629-T655 PolarHBondContact O-N 3.12Å
630	D	86.3	Confident	76.5	Confident	22 Å²	22	38.4 Å²	38.4	12%	0.118	25%	0.249	C	C	.	.			trans	-111.7	72.3	169.2	-67.8	14.2	0	0	0	109.4	K624 V651 E652 R653 R654 D685 K686	K624-D630 VanDerWaalsContact NZ-N 3.13Å; K624-D630 IonicContact NZ-OD1 3.88Å; K624-D630 PolarHBondContact NZ-OD1 3.3Å; K624-D630 IonicContact NZ-OD2 2.72Å; K624-D630 PolarHBondContact NZ-OD2 3Å; D630-V651 HydrophobicContact CB-CG1 4.1Å; D630-V651 WeakPolarHBondContact O-CG1 3.36Å; D630-E652 CarbonylContact C-O 3.46Å; D630-E652 WeakPolarHBondContact CA-O 3.36Å; D630-E652 WeakPolarHBondContact CB-O 3.38Å; D630-R653 IonicContact OD2-NE 2.73Å; D630-R654 PolarHBondContact OD1-N 2.77Å; D630-D685 WeakPolarHBondContact CA-OD1 3.17Å; D630-D685 PolarHBondContact N-OD1 2.95Å; D630-K686 HydrophobicContact CB-CB 4.15Å; D630-K686 PolarHBondContact O-N 3.09Å
631	P	87.9	Confident	75.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	145.4	-165.1	34.2	-40.1	0	0	0	114	L620 S629 E652 T655 P658 W660 V683 W684 L695	L620-P631 HydrophobicContact CD1-CB 3.52Å; L620-P631 HydrophobicContact CD1-CG 3.86Å; S629-P631 VanDerWaalsContact O-CD 3.23Å; S629-P631 WeakPolarHBondContact O-CD 3.46Å; P631-E652 WeakPolarHBondContact CD-O 3.16Å; P631-E652 PolarHBondContact O-N 3.18Å; P631-T655 VanDerWaalsContact CD-O 3.27Å; P631-T655 WeakPolarHBondContact CD-O 3.49Å; P631-T655 HydrophobicContact CG-CG2 4.01Å; P631-T655 WeakPolarHBondContact CG-O 3.37Å; P631-P658 HydrophobicContact CB-CG 4.15Å; P631-P658 HydrophobicContact CG-CB 3.69Å; P631-P658 HydrophobicContact CG-CG 3.52Å; P631-W660 HydrophobicContact CB-CZ2 4Å; P631-W660 HydrophobicContact CG-CZ2 4.28Å; P631-W660 PolarHBondContact O-NE1 3.49Å; P631-V683 HydrophobicContact CB-CG1 4.44Å; P631-W684 CarbonylContact C-O 3.56Å; P631-W684 VanDerWaalsContact CA-O 3.3Å; P631-W684 WeakPolarHBondContact CA-O 3.33Å; P631-L695 HydrophobicContact CB-CD1 3.98Å
632	F	91.1	Very high	74.1	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.035	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.2	170.5	69.8	-86	0	0	0	112	K634 K648 A650 V651 W684 K686	F632-K634 HydrophobicContact CD2-CG 4.3Å; F632-K634 HydrophobicContact CE2-CD 4.37Å; F632-K634 HydrophobicContact CE2-CG 3.92Å; F632-K634 VanDerWaalsContact CE2-NZ 3.27Å; F632-K648 HydrophobicContact CD2-CD 4.2Å; F632-K648 HydrophobicContact CD2-CG 3.95Å; F632-K648 HydrophobicContact CE2-CD 4.37Å; F632-K648 HydrophobicContact CE2-CG 4.32Å; F632-A650 WeakPolarHBondContact CB-O 3.39Å; F632-V651 HydrophobicContact CB-CB 4.34Å; F632-V651 HydrophobicContact CB-CG1 4.5Å; F632-V651 HydrophobicContact CB-CG2 3.87Å; F632-V651 HydrophobicContact CD1-CG1 4.28Å; F632-V651 HydrophobicContact CD1-CG2 4.06Å; F632-V651 HydrophobicContact CG-CG2 4.03Å; F632-W684 HydrophobicContact CD1-CB 4.18Å; F632-W684 WeakPolarHBondContact CD1-O 3.36Å; F632-W684 HydrophobicContact CE1-CB 3.69Å; F632-W684 HydrophobicContact CE2-CB 4.12Å; F632-W684 HydrophobicContact CE2-CG 4.46Å; F632-W684 HydrophobicContact CZ-CB 3.68Å; F632-W684 HydrophobicContact CZ-CG 4.29Å; F632-W684 PolarHBondContact N-O 3.11Å; F632-W684 PolarHBondContact O-N 2.89Å; F632-K686 HydrophobicContact CD1-CB 4.07Å; F632-K686 HydrophobicContact CE1-CB 3.93Å
633	V	91.5	Very high	73.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	143.8	178.9	-165.8	0	0	0	0	110.6	L567 V614 K648 T649 W660 L681 T682 V683	L567-V633 HydrophobicContact CD1-CG2 4.22Å; V614-V633 HydrophobicContact CG1-CB 4.46Å; V614-V633 HydrophobicContact CG1-CG2 3.98Å; V633-K648 VanDerWaalsContact O-CA 3.32Å; V633-K648 WeakPolarHBondContact O-CA 3.34Å; V633-K648 WeakPolarHBondContact O-CG 3.38Å; V633-T649 HydrophobicContact CB-CG2 3.91Å; V633-T649 HydrophobicContact CG2-CG2 4.29Å; V633-T649 PolarHBondContact N-OG1 3.44Å; V633-T649 PolarHBondContact O-N 2.93Å; V633-W660 HydrophobicContact CG2-CD2 4.07Å; V633-W660 HydrophobicContact CG2-CE3 3.71Å; V633-W660 HydrophobicContact CG2-CH2 3.35Å; V633-W660 HydrophobicContact CG2-CZ2 3.74Å; V633-W660 HydrophobicContact CG2-CZ3 3.34Å; V633-L681 HydrophobicContact CG1-CB 4.35Å; V633-L681 HydrophobicContact CG1-CD2 4.16Å; V633-T682 CarbonylContact C-O 3.46Å; V633-T682 WeakPolarHBondContact CA-O 3.37Å; V633-V683 HydrophobicContact CG2-CG2 4.21Å
634	K	89.4	Confident	72.6	Confident	30 Å²	30	55.2 Å²	55.2	13%	0.13	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.2	163.3	-52.3	-179	-173.2	70.9	0	108.5	F632 Y636 H647 K648 T682 W684	F632-K634 HydrophobicContact CD2-CG 4.3Å; F632-K634 HydrophobicContact CE2-CD 4.37Å; F632-K634 HydrophobicContact CE2-CG 3.92Å; F632-K634 VanDerWaalsContact CE2-NZ 3.27Å; K634-Y636 HydrophobicContact CB-CE2 3.88Å; K634-Y636 HydrophobicContact CD-CE2 4.43Å; K634-Y636 WeakPolarHBondContact CD-OH 3.48Å; K634-H647 WeakPolarHBondContact CA-O 3.49Å; K634-K648 HydrophobicContact CG-CG 4.38Å; K634-T682 PolarHBondContact N-O 2.74Å; K634-T682 PolarHBondContact O-N 3.18Å; K634-T682 PolarHBondContact O-OG1 2.87Å; K634-W684 VanDerWaalsContact NZ-CE2 3.28Å
635	G	87.8	Confident	72.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.4	173.1	0	0	0	0	0	111.7	H647 E680	G635-H647 PolarHBondContact N-O 3.44Å; G635-H647 PolarHBondContact O-N 3.28Å; G635-E680 WeakPolarHBondContact CA-O 3.38Å
636	Y	84.7	Confident	73.5	Confident	45 Å²	45	51.6 Å²	51.6	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.4	177.7	-55	-87.2	0	0	0	110	K634 K646 E680	K634-Y636 HydrophobicContact CB-CE2 3.88Å; K634-Y636 HydrophobicContact CD-CE2 4.43Å; K634-Y636 WeakPolarHBondContact CD-OH 3.48Å; Y636-K646 HydrophobicContact CD1-CB 4.28Å; Y636-K646 HydrophobicContact CD1-CD 4.44Å; Y636-K646 HydrophobicContact CD1-CG 4.05Å; Y636-K646 HydrophobicContact CE1-CB 4.27Å; Y636-K646 HydrophobicContact CE1-CD 3.63Å; Y636-K646 HydrophobicContact CE1-CG 3.64Å; Y636-K646 WeakPolarHBondContact OH-CE 3.5Å; Y636-K646 PolarHBondContact OH-NZ 3.42Å; Y636-E680 PolarHBondContact N-O 3.47Å; Y636-E680 PolarHBondContact O-N 3.33Å
637	L	83.1	Confident	74.6	Confident	13 Å²	13	51 Å²	51	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.2	169.6	-172.4	69.4	0	0	0	109.1	D640 T645 Y666 L669 I677	L637-D640 CarbonylContact O-C 3.53Å; L637-D640 VanDerWaalsContact O-C 3.22Å; L637-D640 WeakPolarHBondContact O-CA 3.35Å; L637-D640 PolarHBondContact O-N 2.92Å; L637-D640 VanDerWaalsContact O-O 3.09Å; L637-T645 HydrophobicContact CB-CG2 4.49Å; L637-Y666 HydrophobicContact CB-CD1 3.74Å; L637-Y666 HydrophobicContact CB-CE1 3.73Å; L637-Y666 HydrophobicContact CD2-CD1 3.95Å; L637-Y666 HydrophobicContact CD2-CG 4.43Å; L637-Y666 HydrophobicContact CG-CD1 4.31Å; L637-L669 HydrophobicContact CD2-CD2 4.23Å; L637-I677 HydrophobicContact CD1-CB 4.39Å; L637-I677 HydrophobicContact CD1-CD1 4.3Å
638	L	79.3	Confident	75.6	Confident	26 Å²	26	53.5 Å²	53.5	14%	0.136	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.9	176.1	-58.4	177.6	0	0	0	108.8	I677 C678 E680 W714	L638-I677 CarbonylContact O-C 3.56Å; L638-I677 WeakPolarHBondContact O-CA 3.27Å; L638-I677 VanDerWaalsContact O-CB 3.28Å; L638-I677 WeakPolarHBondContact O-CB 3.4Å; L638-C678 HydrophobicContact CB-CB 4.45Å; L638-C678 PolarHBondContact N-O 3.39Å; L638-C678 PolarHBondContact O-N 3.43Å; L638-E680 HydrophobicContact CD1-CB 4.2Å; L638-W714 HydrophobicContact CB-CD2 3.94Å; L638-W714 HydrophobicContact CB-CE3 3.79Å; L638-W714 HydrophobicContact CB-CH2 4.11Å; L638-W714 HydrophobicContact CB-CZ2 4.29Å; L638-W714 HydrophobicContact CB-CZ3 3.87Å; L638-W714 HydrophobicContact CD1-CB 3.68Å; L638-W714 HydrophobicContact CD1-CD2 3.9Å; L638-W714 HydrophobicContact CD1-CE3 4.17Å; L638-W714 HydrophobicContact CD1-CG 3.72Å
639	P	65.8	Low	76.4	Confident	65 Å²	65	51.9 Å²	51.9	42%	0.422	26%	0.263	S	S	.	.	S	Bend	cis	-82.1	-4.2	11.7	33.7	-36.7	0	0	0	115.6	N641 Y708 W714	P639-N641 VanDerWaalsContact C-N 3.3Å; P639-N641 PolarHBondContact O-N 2.59Å; P639-Y708 HydrophobicContact CG-CE2 4.14Å; P639-W714 HydrophobicContact CB-CH2 4.16Å; P639-W714 HydrophobicContact CB-CZ2 3.92Å
640	D	66	Low	76.6	Confident	98 Å²	98	54.5 Å²	54.5	52%	0.524	28%	0.284	S	S	.	.			trans	-73.7	70.1	-170.1	-111.8	-27.8	0	0	0	114.4	L637 N642 T645	L637-D640 CarbonylContact O-C 3.53Å; L637-D640 VanDerWaalsContact O-C 3.22Å; L637-D640 WeakPolarHBondContact O-CA 3.35Å; L637-D640 PolarHBondContact O-N 2.92Å; L637-D640 VanDerWaalsContact O-O 3.09Å; D640-N642 PolarHBondContact O-N 2.72Å; D640-T645 HydrophobicContact CB-CG2 4.08Å; D640-T645 PolarHBondContact O-OG1 3.32Å
641	N	54.1	Low	76.7	Confident	139 Å²	139	55.2 Å²	55.2	74%	0.743	29%	0.289	S	S	*	.			trans	-69.8	31.3	176.2	-168.3	18.9	0	0	0	113.9	P639	P639-N641 VanDerWaalsContact C-N 3.3Å; P639-N641 PolarHBondContact O-N 2.59Å
642	N	55.6	Low	76.6	Confident	97 Å²	97	58.3 Å²	58.3	52%	0.519	30%	0.303	S	S	.	.			trans	-80.2	145.4	172	-166.5	-6.8	0	0	0	109.7	D640 S644 T645	D640-N642 PolarHBondContact O-N 2.72Å; N642-S644 VanDerWaalsContact CG-OG 3.27Å; N642-S644 PolarHBondContact ND2-OG 2.73Å; N642-S644 PolarHBondContact O-N 2.72Å; N642-T645 PolarHBondContact O-N 3.22Å; N642-T645 VanDerWaalsContact O-N 3.15Å; N642-T645 PolarHBondContact O-OG1 3.04Å
643	K	53.8	Low	76.2	Confident	192 Å²	192	67 Å²	67	84%	0.835	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-61.7	-16.4	179.8	-65.9	-178.6	-179.4	178.7	0	113.1
644	S	54.1	Low	75.6	Confident	76 Å²	76	76 Å²	76	53%	0.531	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-74.3	-24.3	176.9	53.5	0	0	0	0	115.1	N642 K646	N642-S644 VanDerWaalsContact CG-OG 3.27Å; N642-S644 PolarHBondContact ND2-OG 2.73Å; N642-S644 PolarHBondContact O-N 2.72Å; S644-K646 VanDerWaalsContact C-N 3.33Å
645	T	62.9	Low	75.2	Confident	20 Å²	20	76.3 Å²	76.3	12%	0.123	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-91	2.3	177.6	62.1	0	0	0	0	112.7	L637 D640 N642 H647 Y666	L637-T645 HydrophobicContact CB-CG2 4.49Å; D640-T645 HydrophobicContact CB-CG2 4.08Å; D640-T645 PolarHBondContact O-OG1 3.32Å; N642-T645 PolarHBondContact O-N 3.22Å; N642-T645 VanDerWaalsContact O-N 3.15Å; N642-T645 PolarHBondContact O-OG1 3.04Å; T645-H647 PolarHBondContact O-CD2 2.98Å; T645-H647 PolarHBondContact O-N 3.28Å; T645-Y666 WeakPolarHBondContact O-CE1 3.42Å
646	K	76.5	Confident	75	Confident	102 Å²	102	77.8 Å²	77.8	44%	0.443	38%	0.383	S	S	.	.			trans	-86.7	102.4	-177.8	-176.2	175.5	-171.8	150.5	0	110.9	Y636 S644	Y636-K646 HydrophobicContact CD1-CB 4.28Å; Y636-K646 HydrophobicContact CD1-CD 4.44Å; Y636-K646 HydrophobicContact CD1-CG 4.05Å; Y636-K646 HydrophobicContact CE1-CB 4.27Å; Y636-K646 HydrophobicContact CE1-CD 3.63Å; Y636-K646 HydrophobicContact CE1-CG 3.64Å; Y636-K646 WeakPolarHBondContact OH-CE 3.5Å; Y636-K646 PolarHBondContact OH-NZ 3.42Å; S644-K646 VanDerWaalsContact C-N 3.33Å
647	H	78.5	Confident	75	Confident	49 Å²	49	79.8 Å²	79.8	23%	0.227	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	154.6	170.7	-62.2	-100.3	0	0	0	111	K634 G635 T645 F664 Y666	K634-H647 WeakPolarHBondContact CA-O 3.49Å; G635-H647 PolarHBondContact N-O 3.44Å; G635-H647 PolarHBondContact O-N 3.28Å; T645-H647 PolarHBondContact O-CD2 2.98Å; T645-H647 PolarHBondContact O-N 3.28Å; H647-F664 HydrophobicContact CB-CB 3.88Å; H647-F664 HydrophobicContact CB-CD1 3.37Å; H647-F664 HydrophobicContact CB-CD2 3.58Å; H647-F664 HydrophobicContact CB-CE1 3.68Å; H647-F664 HydrophobicContact CB-CE2 3.89Å; H647-F664 HydrophobicContact CB-CG 3.32Å; H647-F664 HydrophobicContact CB-CZ 3.93Å; H647-F664 AromaticContact CG-CD1 3.99Å; H647-F664 AromaticContact CG-CG 3.78Å; H647-Y666 AromaticContact CD2-CE1 3.55Å; H647-Y666 AromaticContact CD2-CZ 3.51Å; H647-Y666 PolarHBondContact CD2-OH 2.88Å; H647-Y666 AromaticContact NE2-CE1 3.88Å
648	K	85.9	Confident	75.2	Confident	101 Å²	101	79.3 Å²	79.3	44%	0.439	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	136.5	179.2	-171.7	-146.7	166.9	-162.1	0	109.7	F632 V633 K634	F632-K648 HydrophobicContact CD2-CD 4.2Å; F632-K648 HydrophobicContact CD2-CG 3.95Å; F632-K648 HydrophobicContact CE2-CD 4.37Å; F632-K648 HydrophobicContact CE2-CG 4.32Å; V633-K648 VanDerWaalsContact O-CA 3.32Å; V633-K648 WeakPolarHBondContact O-CA 3.34Å; V633-K648 WeakPolarHBondContact O-CG 3.38Å; K634-K648 HydrophobicContact CG-CG 4.38Å
649	T	88.4	Confident	75.7	Confident	7 Å²	7	84.9 Å²	84.9	4%	0.043	42%	0.42	C	S	.	.			trans	-74.8	172.7	174.3	63.7	0	0	0	0	112.6	V614 V633 W660 H662 F664	V614-T649 HydrophobicContact CG1-CG2 4.49Å; V633-T649 HydrophobicContact CB-CG2 3.91Å; V633-T649 HydrophobicContact CG2-CG2 4.29Å; V633-T649 PolarHBondContact N-OG1 3.44Å; V633-T649 PolarHBondContact O-N 2.93Å; T649-W660 HydrophobicContact CG2-CB 3.9Å; T649-W660 HydrophobicContact CG2-CD2 4.21Å; T649-W660 HydrophobicContact CG2-CG 3.84Å; T649-W660 PolarHBondContact OG1-NE1 3.17Å; T649-H662 HydrophobicContact CG2-CB 4.13Å; T649-F664 HydrophobicContact CG2-CE1 4.04Å; T649-F664 HydrophobicContact CG2-CZ 3.83Å
650	A	86.1	Confident	76.8	Confident	54 Å²	54	82.9 Å²	82.9	45%	0.446	40%	0.404	S	S	.	.			trans	-55.4	164.1	155.7	0	0	0	0	0	111.4	F632 W660	F632-A650 WeakPolarHBondContact CB-O 3.39Å; A650-W660 PolarHBondContact O-NE1 3.06Å
651	V	87.4	Confident	77.9	Confident	37 Å²	37	82.7 Å²	82.7	22%	0.224	40%	0.403	C	S	.	.			trans	-108.3	103.1	177.2	-176.5	0	0	0	0	107.2	D630 F632 K686	D630-V651 HydrophobicContact CB-CG1 4.1Å; D630-V651 WeakPolarHBondContact O-CG1 3.36Å; F632-V651 HydrophobicContact CB-CB 4.34Å; F632-V651 HydrophobicContact CB-CG1 4.5Å; F632-V651 HydrophobicContact CB-CG2 3.87Å; F632-V651 HydrophobicContact CD1-CG1 4.28Å; F632-V651 HydrophobicContact CD1-CG2 4.06Å; F632-V651 HydrophobicContact CG-CG2 4.03Å; V651-K686 HydrophobicContact CB-CD 4.49Å; V651-K686 HydrophobicContact CG1-CB 3.64Å; V651-K686 HydrophobicContact CG1-CD 3.91Å; V651-K686 HydrophobicContact CG1-CG 4.4Å; V651-K686 HydrophobicContact CG2-CD 4.21Å
652	E	86.1	Confident	79.4	Confident	65 Å²	65	79.3 Å²	79.3	30%	0.304	38%	0.383	S	S	.	.			trans	-71.7	150.1	171.9	-58.2	-41.5	121.1	0	0	108.9	D630 P631 T655 P658	D630-E652 CarbonylContact C-O 3.46Å; D630-E652 WeakPolarHBondContact CA-O 3.36Å; D630-E652 WeakPolarHBondContact CB-O 3.38Å; P631-E652 WeakPolarHBondContact CD-O 3.16Å; P631-E652 PolarHBondContact O-N 3.18Å; E652-T655 HydrophobicContact CB-CG2 3.67Å; E652-P658 HydrophobicContact CB-CB 3.99Å; E652-P658 HydrophobicContact CG-CB 3.9Å
653	R	83.4	Confident	80.9	Confident	190 Å²	190	77.7 Å²	77.7	72%	0.717	38%	0.376	S	S	*	.			trans	-116.1	143.6	-173.6	-72.9	178.7	132.3	165.9	-3.8	111.3	D630 T655	D630-R653 IonicContact OD2-NE 2.73Å; R653-T655 VanDerWaalsContact C-N 3.26Å; R653-T655 PolarHBondContact O-N 3.32Å
654	R	79	Confident	82.5	Confident	190 Å²	190	68.5 Å²	68.5	72%	0.717	34%	0.336	S	S	*	.	S	Bend	trans	50.5	37.6	175.9	-57.8	-178.1	179.4	177.5	-1	114.8	T628 S629 D630	T628-R654 HydrophobicContact CG2-CB 4.28Å; T628-R654 WeakPolarHBondContact CG2-O 3.22Å; S629-R654 CarbonylContact O-C 3.58Å; S629-R654 VanDerWaalsContact O-CA 3.26Å; S629-R654 WeakPolarHBondContact O-CA 3.49Å; S629-R654 PolarHBondContact O-N 2.88Å; D630-R654 PolarHBondContact OD1-N 2.77Å
655	T	81.2	Confident	83.9	Confident	36 Å²	36	67.2 Å²	67.2	22%	0.221	33%	0.325	C	S	.	.			trans	-132.5	144.7	-179.4	-175.9	0	0	0	0	112.7	S629 P631 E652 R653 N657 P658	S629-T655 PolarHBondContact O-N 3.12Å; P631-T655 VanDerWaalsContact CD-O 3.27Å; P631-T655 WeakPolarHBondContact CD-O 3.49Å; P631-T655 HydrophobicContact CG-CG2 4.01Å; P631-T655 WeakPolarHBondContact CG-O 3.37Å; E652-T655 HydrophobicContact CB-CG2 3.67Å; R653-T655 VanDerWaalsContact C-N 3.26Å; R653-T655 PolarHBondContact O-N 3.32Å; T655-N657 PolarHBondContact OG1-N 3.32Å; T655-N657 PolarHBondContact OG1-O 3.04Å; T655-P658 HydrophobicContact CG2-CB 3.9Å
656	V	82.7	Confident	84.9	Confident	31 Å²	31	66.7 Å²	66.7	19%	0.188	32%	0.321	C	S	.	.	S	Bend	trans	-105.3	-1.2	166.8	-64.4	0	0	0	0	112.6	K618 N619 L620 A622 P658	K618-V656 CarbonylContact C-O 3.53Å; N619-V656 PolarHBondContact N-O 3.02Å; N619-V656 VanDerWaalsContact N-O 3.16Å; L620-V656 HydrophobicContact CB-CB 4.25Å; L620-V656 WeakPolarHBondContact CB-O 3.31Å; L620-V656 PolarHBondContact N-O 2.92Å; L620-V656 WeakPolarHBondContact O-CB 3.48Å; L620-V656 WeakPolarHBondContact O-CG1 3.45Å; A622-V656 HydrophobicContact CB-CG1 4.11Å; V656-P658 VanDerWaalsContact C-CD 3.43Å
657	N	85.3	Confident	85.1	Confident	88 Å²	88	65.1 Å²	65.1	47%	0.471	32%	0.322	S	S	.	.	S	Bend	trans	-127.1	60.2	176.5	-62	-66.7	0	0	0	110.7	A617 K618 N619 T655	A617-N657 CarbonylContact O-C 3.59Å; A617-N657 VanDerWaalsContact O-CA 3.27Å; A617-N657 WeakPolarHBondContact O-CA 3.4Å; K618-N657 VanDerWaalsContact CA-OD1 3.29Å; K618-N657 WeakPolarHBondContact CA-OD1 3.31Å; N619-N657 PolarHBondContact N-OD1 2.94Å; T655-N657 PolarHBondContact OG1-N 3.32Å; T655-N657 PolarHBondContact OG1-O 3.04Å
658	P	87.3	Confident	84.8	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.013	33%	0.331	C	S	.	.			trans	-69	146.9	-177.4	30.8	-38.2	0	0	0	112.6	G616 A617 L620 P631 E652 T655 V656 W660	G616-P658 CarbonylContact C-O 3.55Å; G616-P658 WeakPolarHBondContact CA-O 3.18Å; A617-P658 HydrophobicContact CB-CG 3.9Å; A617-P658 PolarHBondContact N-O 3.36Å; A617-P658 WeakPolarHBondContact O-CD 3.42Å; L620-P658 HydrophobicContact CD1-CG 3.75Å; P631-P658 HydrophobicContact CB-CG 4.15Å; P631-P658 HydrophobicContact CG-CB 3.69Å; P631-P658 HydrophobicContact CG-CG 3.52Å; E652-P658 HydrophobicContact CB-CB 3.99Å; E652-P658 HydrophobicContact CG-CB 3.9Å; T655-P658 HydrophobicContact CG2-CB 3.9Å; V656-P658 VanDerWaalsContact C-CD 3.43Å; P658-W660 HydrophobicContact CB-CD2 4.34Å; P658-W660 HydrophobicContact CB-CH2 4.02Å; P658-W660 HydrophobicContact CB-CZ2 3.65Å; P658-W660 HydrophobicContact CB-CZ3 4.48Å; P658-W660 HydrophobicContact CG-CH2 3.31Å; P658-W660 HydrophobicContact CG-CZ2 3.4Å; P658-W660 HydrophobicContact CG-CZ3 3.9Å
659	Q	88.9	Confident	84.3	Confident	144 Å²	144	60.4 Å²	60.4	67%	0.673	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.7	165.9	-62.3	-172.4	9.1	0	0	108.3	K615	K615-Q659 CarbonylContact O-C 3.54Å; K615-Q659 WeakPolarHBondContact O-CA 3.19Å
660	W	89.2	Confident	83.5	Confident	23 Å²	23	66.7 Å²	66.7	9%	0.087	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-29.3	-179.7	-60.1	-70.2	0	0	0	112.4	L567 V614 K615 A617 P631 V633 T649 A650 P658 H662 V683	L567-W660 HydrophobicContact CD1-CH2 4.48Å; L567-W660 HydrophobicContact CD1-CZ3 3.8Å; V614-W660 HydrophobicContact CG1-CE3 3.75Å; V614-W660 HydrophobicContact CG1-CZ3 4.23Å; K615-W660 PolarHBondContact O-N 3Å; A617-W660 HydrophobicContact CB-CH2 3.86Å; A617-W660 HydrophobicContact CB-CZ3 3.83Å; P631-W660 HydrophobicContact CB-CZ2 4Å; P631-W660 HydrophobicContact CG-CZ2 4.28Å; P631-W660 PolarHBondContact O-NE1 3.49Å; V633-W660 HydrophobicContact CG2-CD2 4.07Å; V633-W660 HydrophobicContact CG2-CE3 3.71Å; V633-W660 HydrophobicContact CG2-CH2 3.35Å; V633-W660 HydrophobicContact CG2-CZ2 3.74Å; V633-W660 HydrophobicContact CG2-CZ3 3.34Å; T649-W660 HydrophobicContact CG2-CB 3.9Å; T649-W660 HydrophobicContact CG2-CD2 4.21Å; T649-W660 HydrophobicContact CG2-CG 3.84Å; T649-W660 PolarHBondContact OG1-NE1 3.17Å; A650-W660 PolarHBondContact O-NE1 3.06Å; P658-W660 HydrophobicContact CB-CD2 4.34Å; P658-W660 HydrophobicContact CB-CH2 4.02Å; P658-W660 HydrophobicContact CB-CZ2 3.65Å; P658-W660 HydrophobicContact CB-CZ3 4.48Å; P658-W660 HydrophobicContact CG-CH2 3.31Å; P658-W660 HydrophobicContact CG-CZ2 3.4Å; P658-W660 HydrophobicContact CG-CZ3 3.9Å; W660-H662 HydrophobicContact CB-CB 4.32Å; W660-H662 PolarHBondContact O-N 3.21Å; W660-V683 HydrophobicContact CH2-CG1 4.17Å
661	N	89.4	Confident	82.4	Confident	94 Å²	94	68.8 Å²	68.8	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	40.9	42.5	-176	-64.8	-52.2	0	0	0	113.6	L613 V614 K615	L613-N661 VanDerWaalsContact CD1-C 3.4Å; V614-N661 WeakPolarHBondContact O-CA 3.3Å; V614-N661 PolarHBondContact O-N 2.93Å; V614-N661 VanDerWaalsContact O-N 3.09Å; K615-N661 PolarHBondContact O-N 3.23Å; K615-N661 PolarHBondContact O-OD1 3.48Å
662	H	86.2	Confident	81.4	Confident	68 Å²	68	69.3 Å²	69.3	32%	0.315	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.9	-169.4	-169.5	-50.4	0	0	0	111.2	V614 T649 W660 F664	V614-H662 PolarHBondContact N-O 3.23Å; V614-H662 PolarHBondContact O-N 2.89Å; T649-H662 HydrophobicContact CG2-CB 4.13Å; W660-H662 HydrophobicContact CB-CB 4.32Å; W660-H662 PolarHBondContact O-N 3.21Å; H662-F664 AromaticContact ND1-CD1 3.55Å; H662-F664 AromaticContact ND1-CE1 3.56Å
663	T	86.3	Confident	80.9	Confident	62 Å²	62	67.7 Å²	67.7	38%	0.38	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.2	174.8	-45.6	0	0	0	0	111.6	E611 L612	E611-T663 HydrophobicContact CB-CG2 4.32Å; L612-T663 CarbonylContact O-C 3.58Å; L612-T663 WeakPolarHBondContact O-CA 3.03Å
664	F	87.9	Confident	80.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.3	163.3	-56	-14.5	0	0	0	107.4	L612 V614 H647 T649 H662 Y666 L681	L612-F664 HydrophobicContact CB-CB 4.42Å; L612-F664 HydrophobicContact CD2-CD2 3.78Å; L612-F664 HydrophobicContact CD2-CE2 4.41Å; L612-F664 HydrophobicContact CD2-CG 4.46Å; L612-F664 PolarHBondContact N-O 2.84Å; L612-F664 PolarHBondContact O-N 2.75Å; V614-F664 HydrophobicContact CG2-CD2 4.25Å; V614-F664 HydrophobicContact CG2-CE2 3.92Å; V614-F664 HydrophobicContact CG2-CZ 4.11Å; H647-F664 HydrophobicContact CB-CB 3.88Å; H647-F664 HydrophobicContact CB-CD1 3.37Å; H647-F664 HydrophobicContact CB-CD2 3.58Å; H647-F664 HydrophobicContact CB-CE1 3.68Å; H647-F664 HydrophobicContact CB-CE2 3.89Å; H647-F664 HydrophobicContact CB-CG 3.32Å; H647-F664 HydrophobicContact CB-CZ 3.93Å; H647-F664 AromaticContact CG-CD1 3.99Å; H647-F664 AromaticContact CG-CG 3.78Å; T649-F664 HydrophobicContact CG2-CE1 4.04Å; T649-F664 HydrophobicContact CG2-CZ 3.83Å; H662-F664 AromaticContact ND1-CD1 3.55Å; H662-F664 AromaticContact ND1-CE1 3.56Å; F664-Y666 HydrophobicContact CB-CE2 3.67Å; F664-L681 HydrophobicContact CD2-CD2 4.28Å; F664-L681 HydrophobicContact CE2-CD2 3.97Å
665	T	83.8	Confident	80.7	Confident	49 Å²	49	53.6 Å²	53.6	30%	0.301	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.4	-171	-53.2	0	0	0	0	109.6	M609 E611	M609-T665 HydrophobicContact CG-CG2 3.68Å; M609-T665 HydrophobicContact SD-CG2 3.42Å; M609-T665 WeakPolarHBondContact SD-CG2 3.42Å; E611-T665 HydrophobicContact CG-CG2 4.39Å
666	Y	82.7	Confident	80.6	Confident	8 Å²	8	53.6 Å²	53.6	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.3	-173.3	-62.5	-85.4	0	0	0	109.7	M609 V610 L637 T645 H647 F664 L679	M609-Y666 CarbonylContact C-O 3.51Å; M609-Y666 VanDerWaalsContact CA-O 3.26Å; M609-Y666 WeakPolarHBondContact CA-O 3.35Å; V610-Y666 PolarHBondContact N-O 2.88Å; V610-Y666 PolarHBondContact O-N 2.92Å; L637-Y666 HydrophobicContact CB-CD1 3.74Å; L637-Y666 HydrophobicContact CB-CE1 3.73Å; L637-Y666 HydrophobicContact CD2-CD1 3.95Å; L637-Y666 HydrophobicContact CD2-CG 4.43Å; L637-Y666 HydrophobicContact CG-CD1 4.31Å; T645-Y666 WeakPolarHBondContact O-CE1 3.42Å; H647-Y666 AromaticContact CD2-CE1 3.55Å; H647-Y666 AromaticContact CD2-CZ 3.51Å; H647-Y666 PolarHBondContact CD2-OH 2.88Å; H647-Y666 AromaticContact NE2-CE1 3.88Å; F664-Y666 HydrophobicContact CB-CE2 3.67Å; Y666-L679 HydrophobicContact CD2-CD1 4.34Å; Y666-L679 HydrophobicContact CE1-CD1 4.38Å; Y666-L679 HydrophobicContact CE2-CD1 3.54Å; Y666-L679 HydrophobicContact CE2-CD2 4.37Å
667	C	80.5	Confident	80.7	Confident	69 Å²	69	52.3 Å²	52.3	47%	0.466	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.5	-174	-54.9	0	0	0	0	112.4	P605	P605-C667 HydrophobicContact CB-CB 4.16Å; P605-C667 HydrophobicContact CG-CB 4.36Å
668	G	72.4	Confident	80.7	Confident	39 Å²	39	48.1 Å²	48.1	40%	0.402	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.7	15.2	170.3	0	0	0	0	0	115.3	G608	G608-G668 PolarHBondContact O-N 2.75Å
669	L	76.1	Confident	80.7	Confident	13 Å²	13	48.1 Å²	48.1	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.3	179.6	-67.9	170.2	0	0	0	111.4	G608 V610 L637 D673 L674 I677	G608-L669 WeakPolarHBondContact CA-O 3.03Å; G608-L669 PolarHBondContact N-O 2.76Å; G608-L669 PolarHBondContact O-N 3.37Å; V610-L669 HydrophobicContact CB-CD1 4.28Å; V610-L669 HydrophobicContact CG2-CD1 3.66Å; L637-L669 HydrophobicContact CD2-CD2 4.23Å; L669-D673 HydrophobicContact CD2-CB 4.4Å; L669-L674 HydrophobicContact CD1-CD2 4.26Å; L669-I677 HydrophobicContact CD1-CD1 3.7Å; L669-I677 HydrophobicContact CD2-CD1 3.6Å; L669-I677 HydrophobicContact CD2-CG2 4.26Å; L669-I677 HydrophobicContact CG-CD1 4.25Å
670	Q	72.3	Confident	80.8	Confident	139 Å²	139	42.7 Å²	42.7	65%	0.65	25%	0.247	S	C	*	.			trans	-91	156.8	167.8	-51.9	-177	35.2	0	0	110.1	G672 D673	Q670-G672 PolarHBondContact O-N 3.04Å; Q670-G672 VanDerWaalsContact O-N 3.15Å; Q670-D673 VanDerWaalsContact CB-OD2 3.26Å; Q670-D673 WeakPolarHBondContact CB-OD2 3.5Å; Q670-D673 PolarHBondContact N-OD2 3.44Å; Q670-D673 VanDerWaalsContact O-CB 3.31Å; Q670-D673 WeakPolarHBondContact O-CB 3.4Å; Q670-D673 PolarHBondContact O-N 3.4Å
671	D	62.5	Low	80.8	Confident	98 Å²	98	41.6 Å²	41.6	52%	0.524	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.7	-173.4	-47	-10.7	0	0	0	112	Y573	Y573-D671 PolarHBondContact OH-OD1 2.6Å; Y573-D671 VanDerWaalsContact OH-OD1 3.06Å
672	G	65.9	Low	80.8	Confident	47 Å²	47	37.2 Å²	37.2	49%	0.485	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-17.2	172.6	0	0	0	0	0	115.2	Q670 N676	Q670-G672 PolarHBondContact O-N 3.04Å; Q670-G672 VanDerWaalsContact O-N 3.15Å; G672-N676 PolarHBondContact O-ND2 2.94Å
673	D	76.1	Confident	81	Confident	31 Å²	31	34 Å²	34	17%	0.166	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.3	178.8	-63	-42.7	0	0	0	111.8	L669 Q670 N675 N676 I677 Y708	L669-D673 HydrophobicContact CD2-CB 4.4Å; Q670-D673 VanDerWaalsContact CB-OD2 3.26Å; Q670-D673 WeakPolarHBondContact CB-OD2 3.5Å; Q670-D673 PolarHBondContact N-OD2 3.44Å; Q670-D673 VanDerWaalsContact O-CB 3.31Å; Q670-D673 WeakPolarHBondContact O-CB 3.4Å; Q670-D673 PolarHBondContact O-N 3.4Å; D673-N675 PolarHBondContact O-N 3.25Å; D673-N676 CarbonylContact O-C 3.56Å; D673-N676 WeakPolarHBondContact O-CA 3.3Å; D673-N676 PolarHBondContact O-N 3.22Å; D673-I677 HydrophobicContact CB-CG2 4.22Å; D673-I677 WeakPolarHBondContact O-CG1 3.39Å; D673-I677 WeakPolarHBondContact O-CG2 3.3Å; D673-I677 PolarHBondContact O-N 3.01Å; D673-Y708 VanDerWaalsContact CG-OH 3.3Å; D673-Y708 WeakPolarHBondContact OD1-CE1 3.42Å; D673-Y708 PolarHBondContact OD1-OH 3.22Å
674	L	78.5	Confident	81.1	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.8	-178.7	-59.5	177.8	0	0	0	113.7	Y573 V610 L669 I677 W725 I729	Y573-L674 HydrophobicContact CD1-CD1 4.02Å; Y573-L674 HydrophobicContact CD2-CD1 4.27Å; Y573-L674 HydrophobicContact CD2-CD2 4.07Å; Y573-L674 HydrophobicContact CE1-CD1 3.76Å; Y573-L674 HydrophobicContact CE2-CD1 4Å; Y573-L674 HydrophobicContact CE2-CD2 3.95Å; Y573-L674 HydrophobicContact CE2-CG 4.47Å; Y573-L674 HydrophobicContact CG-CD1 4.27Å; V610-L674 HydrophobicContact CG2-CD2 4.36Å; L669-L674 HydrophobicContact CD1-CD2 4.26Å; L674-I677 HydrophobicContact CD2-CD1 3.97Å; L674-W725 PolarHBondContact O-NE1 3.21Å; L674-I729 HydrophobicContact CB-CD1 3.93Å; L674-I729 HydrophobicContact CB-CG1 4.16Å; L674-I729 HydrophobicContact CD1-CG1 4.2Å
675	N	80.3	Confident	80.9	Confident	78 Å²	78	34.1 Å²	34.1	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.2	176.1	-66.4	-39.9	0	0	0	113.9	D673 M715	D673-N675 PolarHBondContact O-N 3.25Å; N675-M715 VanDerWaalsContact O-CE 3.25Å; N675-M715 WeakPolarHBondContact O-CE 3.49Å
676	N	79.1	Confident	81	Confident	36 Å²	36	36.3 Å²	36.3	19%	0.193	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-15.9	-173.7	-68.4	-76.5	0	0	0	113.6	G672 D673 S707 Y708 W714	G672-N676 PolarHBondContact O-ND2 2.94Å; D673-N676 CarbonylContact O-C 3.56Å; D673-N676 WeakPolarHBondContact O-CA 3.3Å; D673-N676 PolarHBondContact O-N 3.22Å; N676-S707 VanDerWaalsContact O-CB 3.32Å; N676-S707 WeakPolarHBondContact O-CB 3.38Å; N676-S707 PolarHBondContact O-OG 3Å; N676-Y708 HydrophobicContact CB-CD1 4.13Å; N676-Y708 HydrophobicContact CB-CD2 3.95Å; N676-Y708 HydrophobicContact CB-CE1 3.84Å; N676-Y708 HydrophobicContact CB-CE2 3.64Å; N676-Y708 HydrophobicContact CB-CG 4.18Å; N676-Y708 WeakPolarHBondContact OD1-CA 3.28Å; N676-Y708 PolarHBondContact OD1-N 3.2Å; N676-W714 WeakPolarHBondContact O-CH2 3.49Å
677	I	84	Confident	80.8	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	21%	0.214	C	C	.	.			trans	-94	162.6	176.5	68	-169.4	0	0	0	112.5	L637 L638 L669 D673 L674 W725	L637-I677 HydrophobicContact CD1-CB 4.39Å; L637-I677 HydrophobicContact CD1-CD1 4.3Å; L638-I677 CarbonylContact O-C 3.56Å; L638-I677 WeakPolarHBondContact O-CA 3.27Å; L638-I677 VanDerWaalsContact O-CB 3.28Å; L638-I677 WeakPolarHBondContact O-CB 3.4Å; L669-I677 HydrophobicContact CD1-CD1 3.7Å; L669-I677 HydrophobicContact CD2-CD1 3.6Å; L669-I677 HydrophobicContact CD2-CG2 4.26Å; L669-I677 HydrophobicContact CG-CD1 4.25Å; D673-I677 HydrophobicContact CB-CG2 4.22Å; D673-I677 WeakPolarHBondContact O-CG1 3.39Å; D673-I677 WeakPolarHBondContact O-CG2 3.3Å; D673-I677 PolarHBondContact O-N 3.01Å; L674-I677 HydrophobicContact CD2-CD1 3.97Å; I677-W725 HydrophobicContact CD1-CH2 4.08Å; I677-W725 HydrophobicContact CD1-CZ2 3.92Å; I677-W725 HydrophobicContact CG1-CH2 4.03Å; I677-W725 HydrophobicContact CG1-CZ2 3.61Å
678	C	85.7	Confident	80.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.5	170.2	-176.8	0	0	0	0	110.3	L638 L700 W714 M715	L638-C678 HydrophobicContact CB-CB 4.45Å; L638-C678 PolarHBondContact N-O 3.39Å; L638-C678 PolarHBondContact O-N 3.43Å; C678-L700 CarbonylContact C-O 3.5Å; C678-L700 WeakPolarHBondContact CA-O 3.44Å; C678-W714 HydrophobicContact CB-CE3 3.46Å; C678-W714 VanDerWaalsContact CB-CE3 3.46Å; C678-W714 HydrophobicContact CB-CZ3 3.66Å; C678-W714 PolarHBondContact SG-O 2.88Å; C678-W714 VanDerWaalsContact SG-O 3.35Å; C678-M715 HydrophobicContact CB-SD 3.84Å
679	L	88	Confident	79.3	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.4	176.2	179.1	54.3	0	0	0	108.7	V610 L612 Y666 L700 W725	V610-L679 HydrophobicContact CG1-CD2 4.49Å; L612-L679 HydrophobicContact CB-CD2 4.05Å; L612-L679 HydrophobicContact CD1-CD2 4.11Å; L612-L679 HydrophobicContact CD2-CD2 3.99Å; L612-L679 HydrophobicContact CD2-CG 4.44Å; L612-L679 HydrophobicContact CG-CD2 4.26Å; Y666-L679 HydrophobicContact CD2-CD1 4.34Å; Y666-L679 HydrophobicContact CE1-CD1 4.38Å; Y666-L679 HydrophobicContact CE2-CD1 3.54Å; Y666-L679 HydrophobicContact CE2-CD2 4.37Å; L679-L700 HydrophobicContact CB-CB 4.31Å; L679-L700 PolarHBondContact N-O 3.37Å; L679-L700 PolarHBondContact O-N 2.99Å; L679-W725 HydrophobicContact CB-CZ3 4.12Å; L679-W725 HydrophobicContact CD2-CZ3 4.49Å
680	E	89.4	Confident	78.8	Confident	30 Å²	30	48 Å²	48	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.2	179.9	-171.7	-179.9	90.4	0	0	110.6	G635 Y636 L638 T682 R699 M746	G635-E680 WeakPolarHBondContact CA-O 3.38Å; Y636-E680 PolarHBondContact N-O 3.47Å; Y636-E680 PolarHBondContact O-N 3.33Å; L638-E680 HydrophobicContact CD1-CB 4.2Å; E680-T682 HydrophobicContact CG-CG2 4.2Å; E680-R699 HydrophobicContact CB-CG 4.31Å; E680-R699 HydrophobicContact CG-CG 4.01Å; E680-R699 IonicContact OE2-CZ 3.34Å; E680-R699 VanDerWaalsContact OE2-CZ 3.23Å; E680-R699 IonicContact OE2-NE 3.68Å; E680-R699 PolarHBondContact OE2-NE 3.05Å; E680-R699 IonicContact OE2-NH2 2.88Å; E680-R699 PolarHBondContact OE2-NH2 2.89Å; E680-M746 HydrophobicContact CG-CE 3.54Å
681	L	90.7	Very high	78.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.2	176.1	-64.5	166.8	0	0	0	109.8	L567 V569 L612 V633 F664 G697 V698 L700	L567-L681 HydrophobicContact CD2-CB 4.19Å; L567-L681 HydrophobicContact CD2-CD1 4.16Å; V569-L681 HydrophobicContact CG1-CD1 4.08Å; L612-L681 HydrophobicContact CD1-CD1 4.24Å; L612-L681 HydrophobicContact CD2-CD1 3.73Å; L612-L681 HydrophobicContact CD2-CD2 3.45Å; L612-L681 VanDerWaalsContact CD2-CD2 3.45Å; L612-L681 HydrophobicContact CD2-CG 4.1Å; V633-L681 HydrophobicContact CG1-CB 4.35Å; V633-L681 HydrophobicContact CG1-CD2 4.16Å; F664-L681 HydrophobicContact CD2-CD2 4.28Å; F664-L681 HydrophobicContact CE2-CD2 3.97Å; L681-G697 CarbonylContact O-C 3.46Å; L681-G697 WeakPolarHBondContact O-CA 3.2Å; L681-V698 HydrophobicContact CB-CG2 3.85Å; L681-V698 HydrophobicContact CD1-CG2 4.11Å; L681-V698 PolarHBondContact N-O 3.21Å; L681-V698 PolarHBondContact O-N 2.82Å; L681-L700 HydrophobicContact CD1-CD1 4.25Å
682	T	88.9	Confident	79.7	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.1	-179.3	54.4	0	0	0	0	110.8	V633 K634 E680 W684 F694 M746	V633-T682 CarbonylContact C-O 3.46Å; V633-T682 WeakPolarHBondContact CA-O 3.37Å; K634-T682 PolarHBondContact N-O 2.74Å; K634-T682 PolarHBondContact O-N 3.18Å; K634-T682 PolarHBondContact O-OG1 2.87Å; E680-T682 HydrophobicContact CG-CG2 4.2Å; T682-W684 VanDerWaalsContact CB-NE1 3.26Å; T682-W684 PolarHBondContact OG1-NE1 3.39Å; T682-F694 HydrophobicContact CG2-CE2 3.97Å; T682-M746 HydrophobicContact CG2-CE 4.19Å; T682-M746 HydrophobicContact CG2-CG 4.04Å
683	V	90.3	Very high	80.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133	-179.4	-166.7	0	0	0	0	109.1	L567 L620 P631 V633 W660 L695 G696 L742	L567-V683 HydrophobicContact CD1-CG2 4.16Å; L567-V683 HydrophobicContact CD2-CG2 4.43Å; L620-V683 HydrophobicContact CD1-CG1 4.23Å; L620-V683 HydrophobicContact CD2-CG1 4.2Å; P631-V683 HydrophobicContact CB-CG1 4.44Å; V633-V683 HydrophobicContact CG2-CG2 4.21Å; W660-V683 HydrophobicContact CH2-CG1 4.17Å; V683-L695 HydrophobicContact CB-CB 4.34Å; V683-L695 HydrophobicContact CG1-CB 4.29Å; V683-L695 HydrophobicContact CG1-CD1 4.19Å; V683-L695 PolarHBondContact O-N 2.69Å; V683-G696 PolarHBondContact N-O 2.72Å; V683-G696 PolarHBondContact O-N 3.01Å; V683-L742 HydrophobicContact CG2-CD1 4.04Å; V683-L742 HydrophobicContact CG2-CD2 3.6Å
684	W	87.3	Confident	80.8	Confident	65 Å²	65	46.2 Å²	46.2	25%	0.246	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.5	-173.2	-58.7	78.3	0	0	0	110.8	P631 F632 K634 T682 N692 V693 F694	P631-W684 CarbonylContact C-O 3.56Å; P631-W684 VanDerWaalsContact CA-O 3.3Å; P631-W684 WeakPolarHBondContact CA-O 3.33Å; F632-W684 HydrophobicContact CD1-CB 4.18Å; F632-W684 WeakPolarHBondContact CD1-O 3.36Å; F632-W684 HydrophobicContact CE1-CB 3.69Å; F632-W684 HydrophobicContact CE2-CB 4.12Å; F632-W684 HydrophobicContact CE2-CG 4.46Å; F632-W684 HydrophobicContact CZ-CB 3.68Å; F632-W684 HydrophobicContact CZ-CG 4.29Å; F632-W684 PolarHBondContact N-O 3.11Å; F632-W684 PolarHBondContact O-N 2.89Å; K634-W684 VanDerWaalsContact NZ-CE2 3.28Å; T682-W684 VanDerWaalsContact CB-NE1 3.26Å; T682-W684 PolarHBondContact OG1-NE1 3.39Å; W684-N692 HydrophobicContact CE3-CB 4.43Å; W684-V693 CarbonylContact C-O 3.52Å; W684-V693 VanDerWaalsContact CA-O 3.26Å; W684-V693 WeakPolarHBondContact CA-O 3.26Å; W684-F694 HydrophobicContact CD2-CD2 4.21Å; W684-F694 AromaticContact CE2-CD2 3.9Å; W684-F694 HydrophobicContact CE3-CB 4.05Å; W684-F694 HydrophobicContact CE3-CD2 4.37Å; W684-F694 HydrophobicContact CH2-CB 4.27Å; W684-F694 AromaticContact CH2-CD2 3.98Å; W684-F694 HydrophobicContact CH2-CD2 3.98Å; W684-F694 AromaticContact CZ2-CD2 3.79Å; W684-F694 HydrophobicContact CZ2-CD2 3.79Å; W684-F694 HydrophobicContact CZ2-CE2 4.45Å; W684-F694 HydrophobicContact CZ3-CB 3.86Å; W684-F694 HydrophobicContact CZ3-CD2 4.27Å
685	D	85.4	Confident	80.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.7	166.3	-179	15.5	0	0	0	109.9	K624 D630 E687 N692 V693 L695	K624-D685 WeakPolarHBondContact CE-OD1 3.48Å; K624-D685 WeakPolarHBondContact CE-OD2 3.28Å; K624-D685 IonicContact NZ-OD1 3.1Å; K624-D685 PolarHBondContact NZ-OD1 3.09Å; K624-D685 IonicContact NZ-OD2 2.69Å; D630-D685 WeakPolarHBondContact CA-OD1 3.17Å; D630-D685 PolarHBondContact N-OD1 2.95Å; D685-E687 PolarHBondContact O-N 3.34Å; D685-N692 CarbonylContact O-C 3.57Å; D685-N692 WeakPolarHBondContact O-CA 3.33Å; D685-N692 VanDerWaalsContact O-CB 3.26Å; D685-N692 WeakPolarHBondContact O-CB 3.4Å; D685-V693 HydrophobicContact CB-CB 4.35Å; D685-V693 PolarHBondContact N-O 3.32Å; D685-V693 PolarHBondContact O-N 3.43Å; D685-L695 HydrophobicContact CB-CD1 4.14Å; D685-L695 HydrophobicContact CB-CD2 4.13Å; D685-L695 HydrophobicContact CB-CG 4.15Å
686	K	84.3	Confident	81	Confident	94 Å²	94	42.4 Å²	42.4	41%	0.409	24%	0.239	S	C	.	.			trans	-81.6	115.1	170.2	-171.8	-176.7	178	-174.9	0	110.3	K624 D630 F632 V651	K624-K686 PolarHBondContact NZ-O 3.09Å; D630-K686 HydrophobicContact CB-CB 4.15Å; D630-K686 PolarHBondContact O-N 3.09Å; F632-K686 HydrophobicContact CD1-CB 4.07Å; F632-K686 HydrophobicContact CE1-CB 3.93Å; V651-K686 HydrophobicContact CB-CD 4.49Å; V651-K686 HydrophobicContact CG1-CB 3.64Å; V651-K686 HydrophobicContact CG1-CD 3.91Å; V651-K686 HydrophobicContact CG1-CG 4.4Å; V651-K686 HydrophobicContact CG2-CD 4.21Å
687	E	80.3	Confident	81.4	Confident	52 Å²	52	40.7 Å²	40.7	24%	0.243	23%	0.23	C	C	.	.			trans	-95.8	145.2	166	-59.5	-165.3	131.2	0	0	110.7	D685 S690 V693	D685-E687 PolarHBondContact O-N 3.34Å; E687-S690 WeakPolarHBondContact CB-OG 3.33Å; E687-S690 WeakPolarHBondContact OE2-CB 3.28Å; E687-S690 PolarHBondContact OE2-OG 2.72Å; E687-V693 HydrophobicContact CG-CG2 4.38Å
688	A	66.1	Low	81.7	Confident	96 Å²	96	40.4 Å²	40.4	79%	0.793	23%	0.229	S	C	*	.	S	Bend	trans	-92.7	-18.3	-175.5	0	0	0	0	0	114
689	L	54.5	Low	81.9	Confident	159 Å²	159	41.2 Å²	41.2	83%	0.832	23%	0.232	S	C	*	.	S	Bend	trans	-130.5	6.1	-173.3	-61.5	174.7	0	0	0	112.9
690	S	65.7	Low	81.9	Confident	69 Å²	69	41.1 Å²	41.1	48%	0.483	23%	0.232	S	C	.	.	S	Bend	trans	-155.9	176.3	-170.8	42.9	0	0	0	0	110.6	E687 N692	E687-S690 WeakPolarHBondContact CB-OG 3.33Å; E687-S690 WeakPolarHBondContact OE2-CB 3.28Å; E687-S690 PolarHBondContact OE2-OG 2.72Å; S690-N692 PolarHBondContact O-N 2.8Å
691	S	72.6	Confident	81.7	Confident	100 Å²	100	39.7 Å²	39.7	70%	0.699	23%	0.225	S	C	*	.			trans	-80.3	118.5	-173.4	54	0	0	0	0	112.2	V693	S691-V693 PolarHBondContact O-N 2.71Å
692	N	81.6	Confident	81.3	Confident	70 Å²	70	40.2 Å²	40.2	37%	0.374	23%	0.229	S	C	.	.			trans	-33.6	120.7	176.7	-49.6	-86.6	0	0	0	113.2	W684 D685 S690	W684-N692 HydrophobicContact CE3-CB 4.43Å; D685-N692 CarbonylContact O-C 3.57Å; D685-N692 WeakPolarHBondContact O-CA 3.33Å; D685-N692 VanDerWaalsContact O-CB 3.26Å; D685-N692 WeakPolarHBondContact O-CB 3.4Å; S690-N692 PolarHBondContact O-N 2.8Å
693	V	80.6	Confident	80.7	Confident	46 Å²	46	41.2 Å²	41.2	28%	0.279	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	140.1	-177.1	179.6	0	0	0	0	110	V623 W684 D685 E687 S691	V623-V693 HydrophobicContact CG1-CB 4.2Å; V623-V693 HydrophobicContact CG1-CG1 4.1Å; V623-V693 HydrophobicContact CG1-CG2 4.06Å; V623-V693 HydrophobicContact CG2-CG1 4.16Å; W684-V693 CarbonylContact C-O 3.52Å; W684-V693 VanDerWaalsContact CA-O 3.26Å; W684-V693 WeakPolarHBondContact CA-O 3.26Å; D685-V693 HydrophobicContact CB-CB 4.35Å; D685-V693 PolarHBondContact N-O 3.32Å; D685-V693 PolarHBondContact O-N 3.43Å; E687-V693 HydrophobicContact CG-CG2 4.38Å; S691-V693 PolarHBondContact O-N 2.71Å
694	F	83	Confident	79.9	Confident	60 Å²	60	44.8 Å²	44.8	26%	0.263	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	123.5	173.4	-179.6	-104.5	0	0	0	109.3	T682 W684 G696 S744 M746	T682-F694 HydrophobicContact CG2-CE2 3.97Å; W684-F694 HydrophobicContact CD2-CD2 4.21Å; W684-F694 AromaticContact CE2-CD2 3.9Å; W684-F694 HydrophobicContact CE3-CB 4.05Å; W684-F694 HydrophobicContact CE3-CD2 4.37Å; W684-F694 HydrophobicContact CH2-CB 4.27Å; W684-F694 AromaticContact CH2-CD2 3.98Å; W684-F694 HydrophobicContact CH2-CD2 3.98Å; W684-F694 AromaticContact CZ2-CD2 3.79Å; W684-F694 HydrophobicContact CZ2-CD2 3.79Å; W684-F694 HydrophobicContact CZ2-CE2 4.45Å; W684-F694 HydrophobicContact CZ3-CB 3.86Å; W684-F694 HydrophobicContact CZ3-CD2 4.27Å; F694-G696 VanDerWaalsContact CE1-CA 3.46Å; F694-G696 VanDerWaalsContact CE2-O 3.31Å; F694-G696 WeakPolarHBondContact CE2-O 3.46Å; F694-G696 VanDerWaalsContact CZ-CA 3.47Å; F694-G696 WeakPolarHBondContact CZ-O 3.23Å; F694-S744 WeakPolarHBondContact CE1-O 3.24Å; F694-M746 HydrophobicContact CE2-CG 4.02Å; F694-M746 HydrophobicContact CZ-CG 3.61Å; F694-M746 HydrophobicContact CZ-SD 4.04Å
695	L	79.9	Confident	79.1	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-42.2	177.5	-64.4	-179.9	0	0	0	111	K564 L620 V623 P631 V683 D685	K564-L695 WeakPolarHBondContact CB-O 3.44Å; K564-L695 WeakPolarHBondContact CD-O 3.43Å; K564-L695 WeakPolarHBondContact CG-O 3.46Å; L620-L695 HydrophobicContact CD1-CD1 4.15Å; V623-L695 HydrophobicContact CG2-CD2 3.42Å; V623-L695 VanDerWaalsContact CG2-CD2 3.42Å; P631-L695 HydrophobicContact CB-CD1 3.98Å; V683-L695 HydrophobicContact CB-CB 4.34Å; V683-L695 HydrophobicContact CG1-CB 4.29Å; V683-L695 HydrophobicContact CG1-CD1 4.19Å; V683-L695 PolarHBondContact O-N 2.69Å; D685-L695 HydrophobicContact CB-CD1 4.14Å; D685-L695 HydrophobicContact CB-CD2 4.13Å; D685-L695 HydrophobicContact CB-CG 4.15Å
696	G	84.2	Confident	78.5	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-178.9	177.2	0	0	0	0	0	112	V683 F694 R743	V683-G696 PolarHBondContact N-O 2.72Å; V683-G696 PolarHBondContact O-N 3.01Å; F694-G696 VanDerWaalsContact CE1-CA 3.46Å; F694-G696 VanDerWaalsContact CE2-O 3.31Å; F694-G696 WeakPolarHBondContact CE2-O 3.46Å; F694-G696 VanDerWaalsContact CZ-CA 3.47Å; F694-G696 WeakPolarHBondContact CZ-O 3.23Å; G696-R743 WeakPolarHBondContact CA-O 3.34Å
697	G	87.6	Confident	78.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	173.6	175.3	0	0	0	0	0	114.4	L681 R743 M746	L681-G697 CarbonylContact O-C 3.46Å; L681-G697 WeakPolarHBondContact O-CA 3.2Å; G697-R743 PolarHBondContact N-O 3.13Å; G697-R743 VanDerWaalsContact O-CB 3.22Å; G697-R743 WeakPolarHBondContact O-CB 3.16Å; G697-R743 WeakPolarHBondContact O-CG 3.38Å; G697-R743 PolarHBondContact O-N 2.74Å; G697-M746 VanDerWaalsContact CA-SD 3.57Å
698	V	89.6	Confident	77.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.2	177.7	-66	0	0	0	0	110.3	L567 L681 E721 L740 M741 L742	L567-V698 HydrophobicContact CD2-CG2 3.98Å; L681-V698 HydrophobicContact CB-CG2 3.85Å; L681-V698 HydrophobicContact CD1-CG2 4.11Å; L681-V698 PolarHBondContact N-O 3.21Å; L681-V698 PolarHBondContact O-N 2.82Å; V698-E721 VanDerWaalsContact CA-OE1 3.27Å; V698-E721 WeakPolarHBondContact CA-OE1 3.32Å; V698-E721 WeakPolarHBondContact CB-OE1 3.45Å; V698-L740 HydrophobicContact CB-CD1 4.41Å; V698-L740 HydrophobicContact CG1-CB 3.92Å; V698-L740 HydrophobicContact CG1-CD1 4.47Å; V698-L740 HydrophobicContact CG2-CD1 4.06Å; V698-M741 WeakPolarHBondContact CG1-O 3.39Å; V698-L742 HydrophobicContact CG1-CD2 4.32Å
699	R	89.1	Confident	77.9	Confident	16 Å²	16	46.4 Å²	46.4	6%	0.06	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.2	178.5	-84.6	177.8	-178.8	158	3.1	110.3	E680 D713 D716 S717 E721 M746	E680-R699 HydrophobicContact CB-CG 4.31Å; E680-R699 HydrophobicContact CG-CG 4.01Å; E680-R699 IonicContact OE2-CZ 3.34Å; E680-R699 VanDerWaalsContact OE2-CZ 3.23Å; E680-R699 IonicContact OE2-NE 3.68Å; E680-R699 PolarHBondContact OE2-NE 3.05Å; E680-R699 IonicContact OE2-NH2 2.88Å; E680-R699 PolarHBondContact OE2-NH2 2.89Å; R699-D713 PolarHBondContact NH1-O 3.02Å; R699-D716 WeakPolarHBondContact CD-OD1 3.42Å; R699-D716 IonicContact CZ-OD1 3.58Å; R699-D716 IonicContact NE-OD1 3.69Å; R699-D716 IonicContact NH1-OD1 2.67Å; R699-D716 PolarHBondContact NH1-OD1 3.23Å; R699-D716 IonicContact NH1-OD2 2.94Å; R699-D716 PolarHBondContact NH1-OD2 2.89Å; R699-S717 VanDerWaalsContact O-CB 3.29Å; R699-S717 WeakPolarHBondContact O-CB 3.19Å; R699-S717 PolarHBondContact O-OG 3.28Å; R699-E721 PolarHBondContact N-OE1 2.81Å; R699-E721 WeakPolarHBondContact O-CB 3.2Å; R699-M746 HydrophobicContact CG-CE 3.8Å; R699-M746 PolarHBondContact NH2-O 3.29Å
700	L	87.8	Confident	78.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.7	-177.8	-61.7	-179.5	0	0	0	109.9	V569 L571 C678 L679 L681 E721 V724 W725 L740	V569-L700 HydrophobicContact CG2-CD1 4.22Å; L571-L700 HydrophobicContact CD1-CD1 3.6Å; L571-L700 HydrophobicContact CD2-CB 4.32Å; L571-L700 HydrophobicContact CD2-CD1 3.79Å; L571-L700 HydrophobicContact CG-CD1 4.28Å; C678-L700 CarbonylContact C-O 3.5Å; C678-L700 WeakPolarHBondContact CA-O 3.44Å; L679-L700 HydrophobicContact CB-CB 4.31Å; L679-L700 PolarHBondContact N-O 3.37Å; L679-L700 PolarHBondContact O-N 2.99Å; L681-L700 HydrophobicContact CD1-CD1 4.25Å; L700-E721 HydrophobicContact CD2-CB 3.81Å; L700-E721 HydrophobicContact CD2-CG 4.07Å; L700-E721 WeakPolarHBondContact CD2-O 3.14Å; L700-V724 HydrophobicContact CD2-CG1 3.66Å; L700-W725 HydrophobicContact CB-CE3 3.98Å; L700-W725 HydrophobicContact CB-CZ3 4.49Å; L700-L740 HydrophobicContact CD1-CD1 4.09Å; L700-L740 HydrophobicContact CD2-CD1 3.74Å; L700-L740 HydrophobicContact CG-CD1 4.34Å
701	G	86.4	Confident	79.1	Confident	0 Å²	0	45 Å²	45	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	176.9	-171.8	0	0	0	0	0	111.1	G703 S717	G701-G703 PolarHBondContact O-N 3.14Å; G701-G703 VanDerWaalsContact O-N 3.11Å; G701-S717 PolarHBondContact N-OG 3.4Å; G701-S717 WeakPolarHBondContact O-CB 3.5Å
702	A	81.9	Confident	79.2	Confident	11 Å²	11	41.7 Å²	41.7	9%	0.091	25%	0.253	C	S	.	.			trans	-70.7	-5.3	-171.8	0	0	0	0	0	115.4	T704 M715 Q722	A702-T704 HydrophobicContact CB-CG2 3.87Å; A702-T704 PolarHBondContact O-N 3.38Å; A702-M715 HydrophobicContact CB-CE 4.13Å; A702-Q722 PolarHBondContact O-NE2 2.82Å
703	G	77.5	Confident	78.5	Confident	24 Å²	24	42.7 Å²	42.7	25%	0.247	26%	0.259	C	S	.	.			trans	66.2	16.6	176.3	0	0	0	0	0	115.4	G701 G705 M715 S717	G701-G703 PolarHBondContact O-N 3.14Å; G701-G703 VanDerWaalsContact O-N 3.11Å; G703-G705 VanDerWaalsContact C-N 3.3Å; G703-G705 PolarHBondContact O-N 3.23Å; G703-M715 CarbonylContact C-O 3.39Å; G703-M715 VanDerWaalsContact C-O 3.26Å; G703-M715 WeakPolarHBondContact CA-O 3.3Å; G703-S717 VanDerWaalsContact CA-O 3.25Å; G703-S717 WeakPolarHBondContact CA-O 3.22Å
704	T	73.3	Confident	78.1	Confident	74 Å²	74	42.7 Å²	42.7	45%	0.454	25%	0.254	S	S	.	.			trans	-77.6	-7.3	-170.9	54.3	0	0	0	0	114.8	A702 K706 M715	A702-T704 HydrophobicContact CB-CG2 3.87Å; A702-T704 PolarHBondContact O-N 3.38Å; T704-K706 PolarHBondContact O-N 3.47Å; T704-K706 PolarHBondContact OG1-N 2.99Å; T704-K706 PolarHBondContact OG1-O 3.35Å; T704-M715 WeakPolarHBondContact OG1-CE 3.48Å
705	G	69.3	Low	77.7	Confident	32 Å²	32	39.9 Å²	39.9	33%	0.33	24%	0.241	S	C	.	.	S	Bend	trans	62.4	4	-168.8	0	0	0	0	0	114.9	G703 A711 V712 M715	G703-G705 VanDerWaalsContact C-N 3.3Å; G703-G705 PolarHBondContact O-N 3.23Å; G705-A711 WeakPolarHBondContact O-CA 3.39Å; G705-V712 PolarHBondContact O-N 3.3Å; G705-M715 WeakPolarHBondContact CA-O 3.31Å; G705-M715 PolarHBondContact N-O 3.19Å
706	K	73.8	Confident	77.6	Confident	121 Å²	121	41.9 Å²	41.9	53%	0.526	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.2	-171.5	-62.6	179	-174	174.2	0	112.4	T704 N710	T704-K706 PolarHBondContact O-N 3.47Å; T704-K706 PolarHBondContact OG1-N 2.99Å; T704-K706 PolarHBondContact OG1-O 3.35Å; K706-N710 CarbonylContact C-O 3.28Å; K706-N710 WeakPolarHBondContact CA-O 3.45Å; K706-N710 WeakPolarHBondContact CB-O 3.41Å
707	S	75.1	Confident	77.4	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126	174.1	179.1	0	0	0	0	109.6	N676 G709 N710 W714	N676-S707 VanDerWaalsContact O-CB 3.32Å; N676-S707 WeakPolarHBondContact O-CB 3.38Å; N676-S707 PolarHBondContact O-OG 3Å; S707-G709 PolarHBondContact O-N 3.49Å; S707-G709 VanDerWaalsContact O-N 3.16Å; S707-N710 PolarHBondContact N-O 3.22Å; S707-N710 PolarHBondContact O-N 3.19Å; S707-W714 VanDerWaalsContact CB-CH2 3.46Å; S707-W714 VanDerWaalsContact OG-CH2 3.31Å; S707-W714 WeakPolarHBondContact OG-CH2 3.13Å
708	Y	74.6	Confident	76.8	Confident	117 Å²	117	48.7 Å²	48.7	46%	0.459	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	42.4	-174.6	-56.1	-81.6	0	0	0	112.8	P639 D673 N676 N710	P639-Y708 HydrophobicContact CG-CE2 4.14Å; D673-Y708 VanDerWaalsContact CG-OH 3.3Å; D673-Y708 WeakPolarHBondContact OD1-CE1 3.42Å; D673-Y708 PolarHBondContact OD1-OH 3.22Å; N676-Y708 HydrophobicContact CB-CD1 4.13Å; N676-Y708 HydrophobicContact CB-CD2 3.95Å; N676-Y708 HydrophobicContact CB-CE1 3.84Å; N676-Y708 HydrophobicContact CB-CE2 3.64Å; N676-Y708 HydrophobicContact CB-CG 4.18Å; N676-Y708 WeakPolarHBondContact OD1-CA 3.28Å; N676-Y708 PolarHBondContact OD1-N 3.2Å; Y708-N710 VanDerWaalsContact C-N 3.28Å; Y708-N710 PolarHBondContact O-N 2.79Å; Y708-N710 PolarHBondContact O-ND2 3.39Å
709	G	68.7	Low	76.4	Confident	66 Å²	66	50.3 Å²	50.3	68%	0.68	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-18.3	-178.9	0	0	0	0	0	116.1	S707	S707-G709 PolarHBondContact O-N 3.49Å; S707-G709 VanDerWaalsContact O-N 3.16Å
710	N	71.3	Confident	76.1	Confident	112 Å²	112	54.8 Å²	54.8	60%	0.599	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.8	179.1	-61.2	-73	0	0	0	111.1	K706 S707 Y708	K706-N710 CarbonylContact C-O 3.28Å; K706-N710 WeakPolarHBondContact CA-O 3.45Å; K706-N710 WeakPolarHBondContact CB-O 3.41Å; S707-N710 PolarHBondContact N-O 3.22Å; S707-N710 PolarHBondContact O-N 3.19Å; Y708-N710 VanDerWaalsContact C-N 3.28Å; Y708-N710 PolarHBondContact O-N 2.79Å; Y708-N710 PolarHBondContact O-ND2 3.39Å
711	A	72.4	Confident	76	Confident	86 Å²	86	55.3 Å²	55.3	71%	0.711	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.6	171	0	0	0	0	0	110.5	G705	G705-A711 WeakPolarHBondContact O-CA 3.39Å
712	V	74.6	Confident	76	Confident	30 Å²	30	59 Å²	59	18%	0.182	34%	0.338	C	S	.	.			trans	-140.4	139	-176.3	-65	0	0	0	0	112.6	G705 W714 M715	G705-V712 PolarHBondContact O-N 3.3Å; V712-W714 HydrophobicContact CB-CD2 4.24Å; V712-W714 HydrophobicContact CB-CG 4.38Å; V712-W714 HydrophobicContact CB-CZ2 4.26Å; V712-W714 HydrophobicContact CG1-CZ2 4.18Å; V712-W714 HydrophobicContact CG2-CD2 3.95Å; V712-W714 HydrophobicContact CG2-CE3 4.27Å; V712-W714 HydrophobicContact CG2-CG 4.43Å; V712-W714 HydrophobicContact CG2-CH2 4.41Å; V712-W714 HydrophobicContact CG2-CZ2 4.04Å; V712-W714 PolarHBondContact O-N 3.26Å; V712-W714 VanDerWaalsContact O-N 3.08Å; V712-M715 HydrophobicContact CG2-CB 3.82Å; V712-M715 HydrophobicContact CG2-CG 3.46Å; V712-M715 VanDerWaalsContact CG2-CG 3.46Å
713	D	67.5	Low	76.2	Confident	92 Å²	92	64 Å²	64	49%	0.492	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	16.9	-173.6	-55.2	-38.8	0	0	0	114.4	R699 K748	R699-D713 PolarHBondContact NH1-O 3.02Å; D713-K748 HydrophobicContact CB-CB 4.49Å; D713-K748 HydrophobicContact CB-CD 4.38Å; D713-K748 WeakPolarHBondContact OD1-CD 3.37Å; D713-K748 WeakPolarHBondContact OD1-CE 3.41Å; D713-K748 IonicContact OD1-NZ 2.71Å; D713-K748 PolarHBondContact OD1-NZ 3.2Å
714	W	72.4	Confident	76.7	Confident	45 Å²	45	62.9 Å²	62.9	17%	0.17	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	0.3	-178.2	54.4	-102.7	0	0	0	114.4	L638 P639 N676 C678 S707 V712 D716	L638-W714 HydrophobicContact CB-CD2 3.94Å; L638-W714 HydrophobicContact CB-CE3 3.79Å; L638-W714 HydrophobicContact CB-CH2 4.11Å; L638-W714 HydrophobicContact CB-CZ2 4.29Å; L638-W714 HydrophobicContact CB-CZ3 3.87Å; L638-W714 HydrophobicContact CD1-CB 3.68Å; L638-W714 HydrophobicContact CD1-CD2 3.9Å; L638-W714 HydrophobicContact CD1-CE3 4.17Å; L638-W714 HydrophobicContact CD1-CG 3.72Å; P639-W714 HydrophobicContact CB-CH2 4.16Å; P639-W714 HydrophobicContact CB-CZ2 3.92Å; N676-W714 WeakPolarHBondContact O-CH2 3.49Å; C678-W714 HydrophobicContact CB-CE3 3.46Å; C678-W714 VanDerWaalsContact CB-CE3 3.46Å; C678-W714 HydrophobicContact CB-CZ3 3.66Å; C678-W714 PolarHBondContact SG-O 2.88Å; C678-W714 VanDerWaalsContact SG-O 3.35Å; S707-W714 VanDerWaalsContact CB-CH2 3.46Å; S707-W714 VanDerWaalsContact OG-CH2 3.31Å; S707-W714 WeakPolarHBondContact OG-CH2 3.13Å; V712-W714 HydrophobicContact CB-CD2 4.24Å; V712-W714 HydrophobicContact CB-CG 4.38Å; V712-W714 HydrophobicContact CB-CZ2 4.26Å; V712-W714 HydrophobicContact CG1-CZ2 4.18Å; V712-W714 HydrophobicContact CG2-CD2 3.95Å; V712-W714 HydrophobicContact CG2-CE3 4.27Å; V712-W714 HydrophobicContact CG2-CG 4.43Å; V712-W714 HydrophobicContact CG2-CH2 4.41Å; V712-W714 HydrophobicContact CG2-CZ2 4.04Å; V712-W714 PolarHBondContact O-N 3.26Å; V712-W714 VanDerWaalsContact O-N 3.08Å; W714-D716 WeakPolarHBondContact CA-OD1 3.47Å; W714-D716 PolarHBondContact O-N 3.5Å
715	M	75.6	Confident	77.4	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.326	C	S	.	.			trans	-95.4	41.1	167.8	-71.4	-65.9	-98.8	0	0	110.6	N675 C678 A702 G703 T704 G705 V712	N675-M715 VanDerWaalsContact O-CE 3.25Å; N675-M715 WeakPolarHBondContact O-CE 3.49Å; C678-M715 HydrophobicContact CB-SD 3.84Å; A702-M715 HydrophobicContact CB-CE 4.13Å; G703-M715 CarbonylContact C-O 3.39Å; G703-M715 VanDerWaalsContact C-O 3.26Å; G703-M715 WeakPolarHBondContact CA-O 3.3Å; T704-M715 WeakPolarHBondContact OG1-CE 3.48Å; G705-M715 WeakPolarHBondContact CA-O 3.31Å; G705-M715 PolarHBondContact N-O 3.19Å; V712-M715 HydrophobicContact CG2-CB 3.82Å; V712-M715 HydrophobicContact CG2-CG 3.46Å; V712-M715 VanDerWaalsContact CG2-CG 3.46Å
716	D	76.8	Confident	78.2	Confident	47 Å²	47	61.6 Å²	61.6	25%	0.251	33%	0.328	S	S	.	.			trans	-103.3	19	-175.4	67.6	-57.3	0	0	0	113.4	R699 W714 R743	R699-D716 WeakPolarHBondContact CD-OD1 3.42Å; R699-D716 IonicContact CZ-OD1 3.58Å; R699-D716 IonicContact NE-OD1 3.69Å; R699-D716 IonicContact NH1-OD1 2.67Å; R699-D716 PolarHBondContact NH1-OD1 3.23Å; R699-D716 IonicContact NH1-OD2 2.94Å; R699-D716 PolarHBondContact NH1-OD2 2.89Å; W714-D716 WeakPolarHBondContact CA-OD1 3.47Å; W714-D716 PolarHBondContact O-N 3.5Å; D716-R743 PolarHBondContact O-NH2 3.31Å; D716-R743 IonicContact OD2-CZ 3.71Å; D716-R743 IonicContact OD2-NH1 3.74Å; D716-R743 PolarHBondContact OD2-NH1 2.82Å; D716-R743 IonicContact OD2-NH2 2.97Å
717	S	79.5	Confident	78.8	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.028	32%	0.318	C	S	.	.			trans	-55.7	131.5	170.6	-53.9	0	0	0	0	111.3	R699 G701 G703	R699-S717 VanDerWaalsContact O-CB 3.29Å; R699-S717 WeakPolarHBondContact O-CB 3.19Å; R699-S717 PolarHBondContact O-OG 3.28Å; G701-S717 PolarHBondContact N-OG 3.4Å; G701-S717 WeakPolarHBondContact O-CB 3.5Å; G703-S717 VanDerWaalsContact CA-O 3.25Å; G703-S717 WeakPolarHBondContact CA-O 3.22Å
718	Y	75.7	Confident	79.4	Confident	138 Å²	138	59.5 Å²	59.5	54%	0.541	32%	0.316	S	S	.	.			trans	-139	160.4	178.6	65.1	-100.2	0	0	0	112.2	E720 E721	Y718-E720 PolarHBondContact O-N 2.99Å; Y718-E721 PolarHBondContact N-OE2 3.5Å; Y718-E721 WeakPolarHBondContact O-CB 3.35Å; Y718-E721 PolarHBondContact O-N 2.92Å
719	G	81.4	Confident	80	Confident	35 Å²	35	56 Å²	56	36%	0.361	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-126	176.1	0	0	0	0	0	112.5	E721 Q722 Q723	G719-E721 VanDerWaalsContact C-N 3.29Å; G719-E721 PolarHBondContact O-N 3.23Å; G719-Q722 PolarHBondContact O-N 3.26Å; G719-Q723 WeakPolarHBondContact O-CG 3.5Å; G719-Q723 PolarHBondContact O-N 3.4Å
720	E	82.8	Confident	80.8	Confident	110 Å²	110	58.3 Å²	58.3	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-34	-176.6	-59.3	-173.1	122.8	0	0	113.6	Y718 Q722 Q723 V724 L740	Y718-E720 PolarHBondContact O-N 2.99Å; E720-Q722 VanDerWaalsContact C-N 3.34Å; E720-Q722 PolarHBondContact O-N 3.48Å; E720-Q723 PolarHBondContact O-N 2.81Å; E720-V724 PolarHBondContact O-N 3.48Å; E720-L740 HydrophobicContact CB-CD2 3.96Å
721	E	85.5	Confident	81.4	Confident	11 Å²	11	56.4 Å²	56.4	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-43.4	176.8	-70.3	177.8	141.2	0	0	111.7	V698 R699 L700 Y718 G719 V724 W725 L740 R743	V698-E721 VanDerWaalsContact CA-OE1 3.27Å; V698-E721 WeakPolarHBondContact CA-OE1 3.32Å; V698-E721 WeakPolarHBondContact CB-OE1 3.45Å; R699-E721 PolarHBondContact N-OE1 2.81Å; R699-E721 WeakPolarHBondContact O-CB 3.2Å; L700-E721 HydrophobicContact CD2-CB 3.81Å; L700-E721 HydrophobicContact CD2-CG 4.07Å; L700-E721 WeakPolarHBondContact CD2-O 3.14Å; Y718-E721 PolarHBondContact N-OE2 3.5Å; Y718-E721 WeakPolarHBondContact O-CB 3.35Å; Y718-E721 PolarHBondContact O-N 2.92Å; G719-E721 VanDerWaalsContact C-N 3.29Å; G719-E721 PolarHBondContact O-N 3.23Å; E721-V724 WeakPolarHBondContact O-CG1 3.46Å; E721-W725 PolarHBondContact O-N 3.32Å; E721-L740 HydrophobicContact CG-CD2 4.29Å; E721-R743 IonicContact OE1-CZ 3.92Å; E721-R743 IonicContact OE1-NE 3.92Å; E721-R743 PolarHBondContact OE1-NE 2.97Å; E721-R743 IonicContact OE1-NH2 3.83Å; E721-R743 IonicContact OE2-CZ 3.29Å; E721-R743 IonicContact OE2-NE 3.47Å; E721-R743 PolarHBondContact OE2-NE 2.97Å; E721-R743 IonicContact OE2-NH2 3.21Å; E721-R743 PolarHBondContact OE2-NH2 3.04Å
722	Q	86.3	Confident	81.8	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-73.4	-40.3	177.5	-169.4	-175.5	32.1	0	0	110.6	A702 G719 E720 V724 W725 Q726	A702-Q722 PolarHBondContact O-NE2 2.82Å; G719-Q722 PolarHBondContact O-N 3.26Å; E720-Q722 VanDerWaalsContact C-N 3.34Å; E720-Q722 PolarHBondContact O-N 3.48Å; Q722-V724 PolarHBondContact O-N 2.81Å; Q722-W725 PolarHBondContact O-N 2.9Å; Q722-Q726 WeakPolarHBondContact O-CB 3.32Å; Q722-Q726 PolarHBondContact O-N 3.29Å
723	Q	85.7	Confident	82	Confident	115 Å²	115	57.1 Å²	57.1	54%	0.537	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-35.6	-179.4	-71.6	174.4	24.5	0	0	113.5	G719 E720 R727	G719-Q723 WeakPolarHBondContact O-CG 3.5Å; G719-Q723 PolarHBondContact O-N 3.4Å; E720-Q723 PolarHBondContact O-N 2.81Å; Q723-R727 WeakPolarHBondContact O-CB 3.5Å; Q723-R727 WeakPolarHBondContact O-CG 3.11Å; Q723-R727 PolarHBondContact O-N 3.03Å; Q723-R727 PolarHBondContact O-NE 3.46Å
724	V	88.4	Confident	82.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.9	-37.8	174.4	69.8	0	0	0	0	111.5	L571 L700 E720 E721 Q722 R727 M728 Q736 C738	L571-V724 HydrophobicContact CD1-CG2 4.43Å; L700-V724 HydrophobicContact CD2-CG1 3.66Å; E720-V724 PolarHBondContact O-N 3.48Å; E721-V724 WeakPolarHBondContact O-CG1 3.46Å; Q722-V724 PolarHBondContact O-N 2.81Å; V724-R727 PolarHBondContact O-N 2.87Å; V724-M728 WeakPolarHBondContact O-CB 3.32Å; V724-M728 PolarHBondContact O-N 3.31Å; V724-Q736 HydrophobicContact CG2-CB 3.92Å; V724-C738 HydrophobicContact CB-CB 4.2Å; V724-C738 HydrophobicContact CG2-CB 4Å
725	W	88	Confident	83.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-46.5	175.5	-169	-99.5	0	0	0	111.5	L571 L674 I677 L679 L700 E721 Q722 M728 I729	L571-W725 HydrophobicContact CD2-CE3 3.82Å; L571-W725 HydrophobicContact CD2-CZ3 4.08Å; L674-W725 PolarHBondContact O-NE1 3.21Å; I677-W725 HydrophobicContact CD1-CH2 4.08Å; I677-W725 HydrophobicContact CD1-CZ2 3.92Å; I677-W725 HydrophobicContact CG1-CH2 4.03Å; I677-W725 HydrophobicContact CG1-CZ2 3.61Å; L679-W725 HydrophobicContact CB-CZ3 4.12Å; L679-W725 HydrophobicContact CD2-CZ3 4.49Å; L700-W725 HydrophobicContact CB-CE3 3.98Å; L700-W725 HydrophobicContact CB-CZ3 4.49Å; E721-W725 PolarHBondContact O-N 3.32Å; Q722-W725 PolarHBondContact O-N 2.9Å; W725-M728 HydrophobicContact CD2-CE 3.95Å; W725-M728 HydrophobicContact CE3-CE 3.75Å; W725-M728 HydrophobicContact CH2-CE 3.84Å; W725-M728 HydrophobicContact CZ2-CE 4.01Å; W725-M728 HydrophobicContact CZ3-CE 3.7Å; W725-M728 HydrophobicContact CZ3-SD 4.41Å; W725-M728 WeakPolarHBondContact O-CB 3.44Å; W725-M728 PolarHBondContact O-N 3.22Å; W725-I729 WeakPolarHBondContact O-CG1 3.3Å; W725-I729 PolarHBondContact O-N 3.03Å; W725-I729 VanDerWaalsContact O-N 3.14Å
726	Q	86.5	Confident	84.1	Confident	79 Å²	79	58.9 Å²	58.9	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-48.1	175.7	-173.6	63.2	23.5	0	0	111.6	Q722 M728 I729 E730	Q722-Q726 WeakPolarHBondContact O-CB 3.32Å; Q722-Q726 PolarHBondContact O-N 3.29Å; Q726-M728 VanDerWaalsContact C-N 3.28Å; Q726-M728 PolarHBondContact O-N 3.28Å; Q726-I729 PolarHBondContact O-N 3.48Å; Q726-I729 VanDerWaalsContact O-N 3.1Å; Q726-E730 HydrophobicContact CG-CG 4.47Å; Q726-E730 WeakPolarHBondContact CG-OE1 3.19Å; Q726-E730 PolarHBondContact NE2-OE1 3.1Å; Q726-E730 WeakPolarHBondContact O-CG 3.45Å; Q726-E730 PolarHBondContact O-N 3.39Å
727	R	87	Confident	84.8	Confident	83 Å²	83	61.2 Å²	61.2	31%	0.313	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-33.9	176.7	-79.8	-175.8	-73	135.6	-15.4	113.5	Q723 V724 N731 Q736	Q723-R727 WeakPolarHBondContact O-CB 3.5Å; Q723-R727 WeakPolarHBondContact O-CG 3.11Å; Q723-R727 PolarHBondContact O-N 3.03Å; Q723-R727 PolarHBondContact O-NE 3.46Å; V724-R727 PolarHBondContact O-N 2.87Å; R727-N731 WeakPolarHBondContact O-CB 3.34Å; R727-N731 PolarHBondContact O-N 3.14Å; R727-N731 PolarHBondContact O-ND2 2.97Å; R727-N731 VanDerWaalsContact O-ND2 3.12Å; R727-Q736 HydrophobicContact CB-CG 4.12Å
728	M	87.9	Confident	85.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-35.5	175.5	-177.8	-159.7	66.6	0	0	112	L571 V610 V724 W725 Q726 Q736	L571-M728 HydrophobicContact CB-CG 4.26Å; L571-M728 HydrophobicContact CB-SD 3.87Å; L571-M728 HydrophobicContact CD2-SD 3.99Å; L571-M728 HydrophobicContact CG-SD 4.43Å; V610-M728 HydrophobicContact CG1-SD 4.14Å; V610-M728 HydrophobicContact CG2-CE 4.29Å; V610-M728 HydrophobicContact CG2-SD 4.37Å; V724-M728 WeakPolarHBondContact O-CB 3.32Å; V724-M728 PolarHBondContact O-N 3.31Å; W725-M728 HydrophobicContact CD2-CE 3.95Å; W725-M728 HydrophobicContact CE3-CE 3.75Å; W725-M728 HydrophobicContact CH2-CE 3.84Å; W725-M728 HydrophobicContact CZ2-CE 4.01Å; W725-M728 HydrophobicContact CZ3-CE 3.7Å; W725-M728 HydrophobicContact CZ3-SD 4.41Å; W725-M728 WeakPolarHBondContact O-CB 3.44Å; W725-M728 PolarHBondContact O-N 3.22Å; Q726-M728 VanDerWaalsContact C-N 3.28Å; Q726-M728 PolarHBondContact O-N 3.28Å; M728-Q736 HydrophobicContact CB-CG 4.46Å
729	I	85.4	Confident	85.8	Confident	43 Å²	43	57.3 Å²	57.3	22%	0.221	30%	0.298	C	S	.	.	H	α-helix	trans	-72.9	-43.2	175.2	-65.1	170.9	0	0	0	110.7	L674 W725 Q726	L674-I729 HydrophobicContact CB-CD1 3.93Å; L674-I729 HydrophobicContact CB-CG1 4.16Å; L674-I729 HydrophobicContact CD1-CG1 4.2Å; W725-I729 WeakPolarHBondContact O-CG1 3.3Å; W725-I729 PolarHBondContact O-N 3.03Å; W725-I729 VanDerWaalsContact O-N 3.14Å; Q726-I729 PolarHBondContact O-N 3.48Å; Q726-I729 VanDerWaalsContact O-N 3.1Å
730	E	85.6	Confident	86.1	Confident	116 Å²	116	55.8 Å²	55.8	54%	0.542	28%	0.281	S	S	.	.	H	α-helix	trans	-70.7	-30.9	-179.6	-71.1	171	175.3	0	0	113.4	Q726 P732	Q726-E730 HydrophobicContact CG-CG 4.47Å; Q726-E730 WeakPolarHBondContact CG-OE1 3.19Å; Q726-E730 PolarHBondContact NE2-OE1 3.1Å; Q726-E730 WeakPolarHBondContact O-CG 3.45Å; Q726-E730 PolarHBondContact O-N 3.39Å; E730-P732 VanDerWaalsContact C-CD 3.46Å; E730-P732 WeakPolarHBondContact O-CD 3.2Å
731	N	84.9	Confident	86.2	Confident	72 Å²	72	54.1 Å²	54.1	39%	0.385	27%	0.274	S	S	.	.	S	Bend	trans	-122.8	71.3	-178.1	-57	-97.2	0	0	0	109.9	R727 V734	R727-N731 WeakPolarHBondContact O-CB 3.34Å; R727-N731 PolarHBondContact O-N 3.14Å; R727-N731 PolarHBondContact O-ND2 2.97Å; R727-N731 VanDerWaalsContact O-ND2 3.12Å; N731-V734 HydrophobicContact CB-CB 4.2Å; N731-V734 HydrophobicContact CB-CG2 4.31Å; N731-V734 PolarHBondContact O-N 3.48Å
732	P	80.3	Confident	86.2	Confident	50 Å²	50	54.1 Å²	54.1	33%	0.325	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	155.5	173.7	26.2	-34.8	0	0	0	111	Y573 P575 E730 V734	Y573-P732 HydrophobicContact CD1-CB 4.21Å; P575-P732 HydrophobicContact CG-CB 3.81Å; E730-P732 VanDerWaalsContact C-CD 3.46Å; E730-P732 WeakPolarHBondContact O-CD 3.2Å; P732-V734 PolarHBondContact O-N 2.97Å
733	E	78.4	Confident	86	Confident	80 Å²	80	51.9 Å²	51.9	37%	0.374	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	-23	-176.1	-53.4	176.2	113	0	0	115.7	K572 Y573 K578 P735	K572-E733 WeakPolarHBondContact CE-O 3.32Å; Y573-E733 WeakPolarHBondContact O-CA 3.08Å; Y573-E733 PolarHBondContact O-N 2.89Å; K578-E733 WeakPolarHBondContact CD-OE1 3.32Å; K578-E733 IonicContact NZ-OE1 2.63Å; K578-E733 PolarHBondContact NZ-OE1 2.98Å; K578-E733 IonicContact NZ-OE2 2.66Å; K578-E733 PolarHBondContact NZ-OE2 2.92Å; E733-P735 WeakPolarHBondContact O-CD 3.27Å
734	V	85.9	Confident	85.3	Confident	72 Å²	72	48.5 Å²	48.5	44%	0.436	25%	0.252	S	S	.	.	S	Bend	trans	-79.8	121.7	178.6	-175.8	0	0	0	0	110.9	N731 P732 Q736	N731-V734 HydrophobicContact CB-CB 4.2Å; N731-V734 HydrophobicContact CB-CG2 4.31Å; N731-V734 PolarHBondContact O-N 3.48Å; P732-V734 PolarHBondContact O-N 2.97Å; V734-Q736 PolarHBondContact O-N 2.85Å
735	P	86.4	Confident	84.7	Confident	79 Å²	79	51.6 Å²	51.6	51%	0.513	27%	0.271	S	S	.	.			trans	-70.6	112.8	175.9	27.5	-32.7	0	0	0	111.8	V570 K572 E733	V570-P735 HydrophobicContact CG1-CB 3.58Å; K572-P735 HydrophobicContact CB-CB 4.47Å; E733-P735 WeakPolarHBondContact O-CD 3.27Å
736	Q	88.2	Confident	84	Confident	25 Å²	25	53.1 Å²	53.1	12%	0.117	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	102.7	176.1	-62.2	-62.3	-42.3	0	0	110.2	V570 L571 V724 R727 M728 V734	V570-Q736 CarbonylContact C-O 3.44Å; V570-Q736 WeakPolarHBondContact CA-O 3.37Å; L571-Q736 PolarHBondContact N-O 3.44Å; L571-Q736 PolarHBondContact O-N 3.33Å; V724-Q736 HydrophobicContact CG2-CB 3.92Å; R727-Q736 HydrophobicContact CB-CG 4.12Å; M728-Q736 HydrophobicContact CB-CG 4.46Å; V734-Q736 PolarHBondContact O-N 2.85Å
737	E	90.7	Very high	82.8	Confident	95 Å²	95	58 Å²	58	44%	0.444	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.9	170.7	-175.7	157.3	-173.7	0	0	111.1	T568 V569 V570 K615	T568-E737 HydrophobicContact CG2-CG 4.36Å; V569-E737 WeakPolarHBondContact O-CA 3.45Å; V570-E737 HydrophobicContact CG1-CB 4.32Å; V570-E737 HydrophobicContact CG2-CB 3.98Å; V570-E737 HydrophobicContact CG2-CG 3.96Å; K615-E737 VanDerWaalsContact CD-OE1 3.27Å; K615-E737 WeakPolarHBondContact CD-OE1 3.19Å; K615-E737 WeakPolarHBondContact CE-OE1 3.48Å; K615-E737 IonicContact NZ-OE1 4Å; K615-E737 PolarHBondContact NZ-OE1 2.86Å; K615-E737 IonicContact NZ-OE2 2.7Å; K615-E737 PolarHBondContact NZ-OE2 2.83Å
738	C	87.6	Confident	80.9	Confident	14 Å²	14	60.6 Å²	60.6	10%	0.095	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	162.3	170.1	67	0	0	0	0	110.8	T568 V569 V724 L740	T568-C738 WeakPolarHBondContact CA-O 3.45Å; V569-C738 WeakPolarHBondContact CG2-SG 3.01Å; V569-C738 PolarHBondContact N-O 3.03Å; V569-C738 PolarHBondContact O-N 3Å; V569-C738 VanDerWaalsContact O-O 3.11Å; V724-C738 HydrophobicContact CB-CB 4.2Å; V724-C738 HydrophobicContact CG2-CB 4Å; C738-L740 HydrophobicContact CB-CD2 4.43Å
739	T	89.4	Confident	78.5	Confident	47 Å²	47	65.2 Å²	65.2	29%	0.288	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.6	167.8	-64.3	0	0	0	0	106.9	E566 L567 T568	E566-T739 HydrophobicContact CB-CG2 3.56Å; E566-T739 HydrophobicContact CG-CG2 3.8Å; E566-T739 WeakPolarHBondContact OE2-CG2 3.28Å; L567-T739 WeakPolarHBondContact O-CA 3.14Å; T568-T739 PolarHBondContact OG1-OG1 2.82Å
740	L	87.7	Confident	75.8	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.7	-166.9	-58.8	163.1	0	0	0	110.1	E566 L567 V569 V698 L700 E720 E721 C738 L742	E566-L740 CarbonylContact C-O 3.22Å; E566-L740 WeakPolarHBondContact CA-O 3.46Å; L567-L740 PolarHBondContact N-O 2.68Å; L567-L740 PolarHBondContact O-N 3.14Å; V569-L740 HydrophobicContact CG2-CD1 3.86Å; V698-L740 HydrophobicContact CB-CD1 4.41Å; V698-L740 HydrophobicContact CG1-CB 3.92Å; V698-L740 HydrophobicContact CG1-CD1 4.47Å; V698-L740 HydrophobicContact CG2-CD1 4.06Å; L700-L740 HydrophobicContact CD1-CD1 4.09Å; L700-L740 HydrophobicContact CD2-CD1 3.74Å; L700-L740 HydrophobicContact CG-CD1 4.34Å; E720-L740 HydrophobicContact CB-CD2 3.96Å; E721-L740 HydrophobicContact CG-CD2 4.29Å; C738-L740 HydrophobicContact CB-CD2 4.43Å; L740-L742 PolarHBondContact O-N 3.24Å
741	M	85.4	Confident	73.1	Confident	76 Å²	76	72.4 Å²	72.4	37%	0.374	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.4	174.8	-60.9	-174.8	75	0	0	110.8	M561 Y563 V698 R743	M561-M741 HydrophobicContact CE-CB 4.12Å; M561-M741 HydrophobicContact CE-CE 3.69Å; M561-M741 HydrophobicContact CE-SD 3.72Å; M561-M741 HydrophobicContact SD-CE 3.83Å; M561-M741 HydrophobicContact SD-SD 4.08Å; Y563-M741 HydrophobicContact CD2-CE 3.93Å; Y563-M741 HydrophobicContact CE2-CE 4.44Å; V698-M741 WeakPolarHBondContact CG1-O 3.39Å; M741-R743 PolarHBondContact O-N 2.92Å
742	L	84.7	Confident	72.5	Confident	10 Å²	10	72.4 Å²	72.4	5%	0.052	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-73.7	124.1	179.7	-73.5	165.8	0	0	0	111.5	K564 G565 L567 L620 V683 V698 L740	K564-L742 HydrophobicContact CB-CB 3.79Å; G565-L742 WeakPolarHBondContact O-CB 3.46Å; G565-L742 PolarHBondContact O-N 3.25Å; L567-L742 HydrophobicContact CB-CD2 4Å; L567-L742 HydrophobicContact CB-CG 4.21Å; L567-L742 HydrophobicContact CD2-CD2 4.41Å; L620-L742 HydrophobicContact CD2-CD1 3.38Å; V683-L742 HydrophobicContact CG2-CD1 4.04Å; V683-L742 HydrophobicContact CG2-CD2 3.6Å; V698-L742 HydrophobicContact CG1-CD2 4.32Å; L740-L742 PolarHBondContact O-N 3.24Å
743	R	82.9	Confident	72.1	Confident	31 Å²	31	73.6 Å²	73.6	12%	0.117	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-65.4	139.7	174.7	-59.9	163.7	166.8	-119.5	7.3	110.7	G696 G697 D716 E721 M741 T745 M746	G696-R743 WeakPolarHBondContact CA-O 3.34Å; G697-R743 PolarHBondContact N-O 3.13Å; G697-R743 VanDerWaalsContact O-CB 3.22Å; G697-R743 WeakPolarHBondContact O-CB 3.16Å; G697-R743 WeakPolarHBondContact O-CG 3.38Å; G697-R743 PolarHBondContact O-N 2.74Å; D716-R743 PolarHBondContact O-NH2 3.31Å; D716-R743 IonicContact OD2-CZ 3.71Å; D716-R743 IonicContact OD2-NH1 3.74Å; D716-R743 PolarHBondContact OD2-NH1 2.82Å; D716-R743 IonicContact OD2-NH2 2.97Å; E721-R743 IonicContact OE1-CZ 3.92Å; E721-R743 IonicContact OE1-NE 3.92Å; E721-R743 PolarHBondContact OE1-NE 2.97Å; E721-R743 IonicContact OE1-NH2 3.83Å; E721-R743 IonicContact OE2-CZ 3.29Å; E721-R743 IonicContact OE2-NE 3.47Å; E721-R743 PolarHBondContact OE2-NE 2.97Å; E721-R743 IonicContact OE2-NH2 3.21Å; E721-R743 PolarHBondContact OE2-NH2 3.04Å; M741-R743 PolarHBondContact O-N 2.92Å; R743-T745 VanDerWaalsContact C-N 3.31Å; R743-T745 PolarHBondContact O-N 3.02Å; R743-M746 HydrophobicContact CB-SD 4.46Å
744	S	70.8	Confident	71.8	Confident	45 Å²	45	73.2 Å²	73.2	32%	0.315	40%	0.402	S	S	.	.	S	Bend	trans	-64	-32.4	177.5	56.6	0	0	0	0	113.2	F694	F694-S744 WeakPolarHBondContact CE1-O 3.24Å
745	T	74.6	Confident	70.9	Confident	65 Å²	65	73.3 Å²	73.3	40%	0.399	40%	0.4	S	S	.	.			trans	-142.9	163.3	173	87.6	0	0	0	0	111.4	R743 R747	R743-T745 VanDerWaalsContact C-N 3.31Å; R743-T745 PolarHBondContact O-N 3.02Å; T745-R747 PolarHBondContact OG1-N 3.32Å
746	M	74.2	Confident	70	Confident	31 Å²	31	72.9 Å²	72.9	15%	0.153	39%	0.393	C	S	.	.	S	Bend	trans	-104.4	23.7	172.1	-50.4	-57.1	-80.9	0	0	112.1	E680 T682 F694 G697 R699 R743	E680-M746 HydrophobicContact CG-CE 3.54Å; T682-M746 HydrophobicContact CG2-CE 4.19Å; T682-M746 HydrophobicContact CG2-CG 4.04Å; F694-M746 HydrophobicContact CE2-CG 4.02Å; F694-M746 HydrophobicContact CZ-CG 3.61Å; F694-M746 HydrophobicContact CZ-SD 4.04Å; G697-M746 VanDerWaalsContact CA-SD 3.57Å; R699-M746 HydrophobicContact CG-CE 3.8Å; R699-M746 PolarHBondContact NH2-O 3.29Å; R743-M746 HydrophobicContact CB-SD 4.46Å
747	R	60.4	Low	68.8	Low	182 Å²	182	76.1 Å²	76.1	69%	0.687	41%	0.412	S	S	*	.	S	Bend	trans	-98.8	148.9	176.9	-68.4	-176.1	-179.1	168.2	2.9	109.9	T745 C749	T745-R747 PolarHBondContact OG1-N 3.32Å; R747-C749 PolarHBondContact O-N 3.38Å
748	K	47.3	Very low	67.2	Low	138 Å²	138	74.8 Å²	74.8	60%	0.6	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-61.3	125.1	173.8	-172.2	-177.4	-158.3	164	0	110.3	D713 S750	D713-K748 HydrophobicContact CB-CB 4.49Å; D713-K748 HydrophobicContact CB-CD 4.38Å; D713-K748 WeakPolarHBondContact OD1-CD 3.37Å; D713-K748 WeakPolarHBondContact OD1-CE 3.41Å; D713-K748 IonicContact OD1-NZ 2.71Å; D713-K748 PolarHBondContact OD1-NZ 3.2Å; K748-S750 PolarHBondContact O-N 2.84Å
749	C	38.4	Very low	65.6	Low	96 Å²	96	79.5 Å²	79.5	65%	0.649	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-69.9	119.9	159.7	-66.4	0	0	0	0	107.9	R747 T751	R747-C749 PolarHBondContact O-N 3.38Å; C749-T751 PolarHBondContact O-N 2.81Å
750	S	28.6	Very low	63.6	Low	106 Å²	106	82.2 Å²	82.2	74%	0.741	45%	0.446	S	S	*	.			trans	-77.7	98.4	170.5	45.6	0	0	0	0	109.4	K748	K748-S750 PolarHBondContact O-N 2.84Å
751	T	28.9	Very low	61.5	Low	204 Å²	204	89.5 Å²	89.5	100%	1.252	49%	0.485	S	S	*	.			trans	-73.3	0	165.8	56.7	0	0	0	0	111.5	C749	C749-T751 PolarHBondContact O-N 2.81Å

Retrieved 751 of 751 residues in 99.5 ms (Link to these results)

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