A0A3Q0KGD7_SCHMA Loading...

Putative amiloride-sensitive sodium channel

AlphaFold DB , UniProt , Accession A0A3Q0KGD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 618 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	33.3	Very low	39.3	Very low	243 Å²	243	155.2 Å²	155.2	100%	1.197	79%	0.786	S	S	*	*				0	88.6	0	-76.4	-178.2	170.4	0	0	107.7
2	E	35.3	Very low	40.1	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	75%	0.752	S	S	*	*			trans	-110.1	93.6	172.3	-74.4	-172.1	152.7	0	0	107.4
3	Q	35.1	Very low	40.8	Very low	183 Å²	183	140.8 Å²	140.8	86%	0.855	72%	0.724	S	S	*	*			trans	-62.1	130.4	170.5	-81.4	178.6	-34.5	0	0	108.7	K5	Q3-K5 PolarHBondContact O-N 3.47Å
4	P	40.8	Very low	41.5	Very low	98 Å²	98	136.9 Å²	136.9	64%	0.636	71%	0.71	S	S	*	*			trans	-72.6	119.8	-174.7	29.8	-33.4	0	0	0	109.3	F6	P4-F6 HydrophobicContact CB-CD2 3.73Å; P4-F6 HydrophobicContact CB-CE2 3.95Å; P4-F6 HydrophobicContact CG-CD2 4.06Å; P4-F6 HydrophobicContact CG-CE2 4.41Å; P4-F6 PolarHBondContact O-N 3.43Å
5	K	39.2	Very low	42.1	Very low	205 Å²	205	141.4 Å²	141.4	89%	0.891	71%	0.714	S	S	*	*			trans	-68.6	72.5	172.4	-71.8	177	177.6	172.6	0	110.1	Q3 L7	Q3-K5 PolarHBondContact O-N 3.47Å; K5-L7 PolarHBondContact O-N 2.98Å
6	F	39	Very low	42.8	Very low	185 Å²	185	136.3 Å²	136.3	81%	0.811	69%	0.692	S	S	*	*			trans	-82.3	11.1	168.6	-88.6	-73.7	0	0	0	113.3	P4	P4-F6 HydrophobicContact CB-CD2 3.73Å; P4-F6 HydrophobicContact CB-CE2 3.95Å; P4-F6 HydrophobicContact CG-CD2 4.06Å; P4-F6 HydrophobicContact CG-CE2 4.41Å; P4-F6 PolarHBondContact O-N 3.43Å
7	L	38.7	Very low	43.1	Very low	165 Å²	165	136.4 Å²	136.4	86%	0.864	69%	0.687	S	S	*	*			trans	-111.3	54.9	-176.7	-74.7	168.9	0	0	0	113	K5	K5-L7 PolarHBondContact O-N 2.98Å
8	T	41.7	Very low	43.6	Very low	88 Å²	88	134.9 Å²	134.9	54%	0.54	69%	0.686	S	S	.	*			trans	-147	61.1	156.3	58.8	0	0	0	0	111.2	W10 T11	T8-W10 PolarHBondContact O-N 2.68Å; T8-T11 PolarHBondContact O-N 3.39Å; T8-T11 PolarHBondContact O-OG1 2.63Å
9	G	45.1	Very low	44.4	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-0.3	169.9	0	0	0	0	0	114.9
10	W	37.6	Very low	45.2	Very low	197 Å²	197	130 Å²	130	75%	0.746	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-11.7	177.4	-71.9	81.3	0	0	0	114.4	T8 P12 V13 V14	T8-W10 PolarHBondContact O-N 2.68Å; W10-P12 VanDerWaalsContact C-CD 3.45Å; W10-V13 PolarHBondContact O-N 3.29Å; W10-V14 WeakPolarHBondContact O-CG2 3.46Å; W10-V14 PolarHBondContact O-N 2.93Å
11	T	46.8	Very low	46.4	Very low	80 Å²	80	128.5 Å²	128.5	49%	0.491	67%	0.665	S	S	.	*	H	α-helix	trans	-54.8	-38	179	42.5	0	0	0	0	115.5	T8 R15	T8-T11 PolarHBondContact O-N 3.39Å; T8-T11 PolarHBondContact O-OG1 2.63Å; T11-R15 PolarHBondContact O-N 3.2Å
12	P	49.2	Very low	48.2	Very low	59 Å²	59	127.6 Å²	127.6	38%	0.383	65%	0.648	S	S	.	*	H	α-helix	trans	-75.2	-33.3	178.8	26.4	-32.5	0	0	0	113.6	W10 V14 R15 T16	W10-P12 VanDerWaalsContact C-CD 3.45Å; P12-V14 VanDerWaalsContact C-N 3.35Å; P12-R15 PolarHBondContact O-N 3.3Å; P12-T16 PolarHBondContact O-N 2.95Å; P12-T16 PolarHBondContact O-OG1 3.45Å
13	V	49.3	Very low	50	Low	64 Å²	64	122 Å²	122	39%	0.388	64%	0.636	S	S	.	*	H	α-helix	trans	-66.2	-41	176	-179.8	0	0	0	0	110.3	W10 R15 T16 F17	W10-V13 PolarHBondContact O-N 3.29Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.39Å; V13-T16 PolarHBondContact O-N 3.33Å; V13-T16 PolarHBondContact O-OG1 2.79Å; V13-F17 HydrophobicContact CG1-CD2 4.03Å; V13-F17 HydrophobicContact CG1-CE2 3.82Å; V13-F17 VanDerWaalsContact O-CD2 3.23Å; V13-F17 WeakPolarHBondContact O-CD2 3.24Å; V13-F17 PolarHBondContact O-N 2.78Å
14	V	49.4	Very low	51.8	Low	86 Å²	86	115.6 Å²	115.6	52%	0.521	61%	0.609	S	S	.	*	H	α-helix	trans	-63.5	-38.3	175.4	178.6	0	0	0	0	110.9	W10 P12 T16 F17 V18	W10-V14 WeakPolarHBondContact O-CG2 3.46Å; W10-V14 PolarHBondContact O-N 2.93Å; P12-V14 VanDerWaalsContact C-N 3.35Å; V14-T16 PolarHBondContact O-N 3.29Å; V14-F17 PolarHBondContact O-N 3.17Å; V14-V18 HydrophobicContact CG1-CG2 4.45Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 2.98Å; V14-V18 PolarHBondContact O-N 3.34Å; V14-V18 VanDerWaalsContact O-N 3.15Å
15	R	50.6	Low	53.1	Low	205 Å²	205	114.9 Å²	114.9	77%	0.774	60%	0.596	S	S	*	*	H	α-helix	trans	-65.7	-34.1	178.3	-86.2	-175.3	177.7	170.5	1	113.9	T11 P12 V13 V18	T11-R15 PolarHBondContact O-N 3.2Å; P12-R15 PolarHBondContact O-N 3.3Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.39Å; R15-V18 PolarHBondContact O-N 3.22Å
16	T	53.6	Low	54.8	Low	59 Å²	59	108 Å²	108	36%	0.362	58%	0.578	S	S	.	*	H	α-helix	trans	-71.2	-34.8	174.6	46.3	0	0	0	0	112	P12 V13 V14 V18 N19	P12-T16 PolarHBondContact O-N 2.95Å; P12-T16 PolarHBondContact O-OG1 3.45Å; V13-T16 PolarHBondContact O-N 3.33Å; V13-T16 PolarHBondContact O-OG1 2.79Å; V14-T16 PolarHBondContact O-N 3.29Å; T16-V18 PolarHBondContact O-N 2.87Å; T16-N19 WeakPolarHBondContact O-CB 3.42Å; T16-N19 PolarHBondContact O-N 2.77Å
17	F	48.1	Very low	56.6	Low	138 Å²	138	105 Å²	105	61%	0.605	57%	0.569	S	S	*	*	H	α-helix	trans	-68.5	-17.9	171.4	-79	-70.9	0	0	0	114	V13 V14 K25	V13-F17 HydrophobicContact CG1-CD2 4.03Å; V13-F17 HydrophobicContact CG1-CE2 3.82Å; V13-F17 VanDerWaalsContact O-CD2 3.23Å; V13-F17 WeakPolarHBondContact O-CD2 3.24Å; V13-F17 PolarHBondContact O-N 2.78Å; V14-F17 PolarHBondContact O-N 3.17Å; F17-K25 WeakPolarHBondContact O-CE 3.11Å; F17-K25 PolarHBondContact O-NZ 2.85Å
18	V	51.8	Low	58.2	Low	110 Å²	110	100.2 Å²	100.2	67%	0.667	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	0	177.7	176.3	0	0	0	0	112.8	V14 R15 T16 S20	V14-V18 HydrophobicContact CG1-CG2 4.45Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 2.98Å; V14-V18 PolarHBondContact O-N 3.34Å; V14-V18 VanDerWaalsContact O-N 3.15Å; R15-V18 PolarHBondContact O-N 3.22Å; T16-V18 PolarHBondContact O-N 2.87Å; V18-S20 PolarHBondContact O-N 3.1Å
19	N	58.3	Low	59.8	Low	65 Å²	65	98.5 Å²	98.5	35%	0.348	54%	0.535	S	S	.	.			trans	-61.4	136.8	178.1	-156.8	-13.5	0	0	0	111.7	T16 N21 V24 K25	T16-N19 WeakPolarHBondContact O-CB 3.42Å; T16-N19 PolarHBondContact O-N 2.77Å; N19-N21 VanDerWaalsContact C-N 3.31Å; N19-N21 PolarHBondContact O-N 3.05Å; N19-V24 WeakPolarHBondContact ND2-CG1 3.42Å; N19-K25 WeakPolarHBondContact O-CE 3.37Å; N19-K25 PolarHBondContact O-NZ 2.74Å
20	S	61.8	Low	61.5	Low	107 Å²	107	100.9 Å²	100.9	75%	0.748	53%	0.531	S	S	*	.	S	Bend	trans	-71.4	-27.4	-175.1	64.3	0	0	0	0	112.8	V18 R22	V18-S20 PolarHBondContact O-N 3.1Å; S20-R22 PolarHBondContact O-N 2.9Å
21	N	68.9	Low	63.5	Low	99 Å²	99	94.4 Å²	94.4	53%	0.529	51%	0.508	S	S	.	.			trans	-80.5	110.2	-176.2	-81.3	-26.2	0	0	0	112.3	N19 A23 V24 K25	N19-N21 VanDerWaalsContact C-N 3.31Å; N19-N21 PolarHBondContact O-N 3.05Å; N21-A23 PolarHBondContact O-N 3.39Å; N21-V24 HydrophobicContact CB-CB 4.18Å; N21-V24 HydrophobicContact CB-CG2 3.79Å; N21-V24 PolarHBondContact O-N 3.31Å; N21-V24 VanDerWaalsContact O-N 3.14Å; N21-K25 PolarHBondContact O-N 3Å
22	R	73	Confident	65	Low	223 Å²	223	92.8 Å²	92.8	84%	0.842	50%	0.503	S	S	*	.	H	α-helix	trans	-54.4	-38.5	175.1	-72	-174.7	178.9	-173.6	-0	112.9	S20 V24 K25 A26	S20-R22 PolarHBondContact O-N 2.9Å; R22-V24 PolarHBondContact O-N 3.32Å; R22-K25 PolarHBondContact O-N 2.86Å; R22-A26 PolarHBondContact O-N 2.81Å
23	A	72.9	Confident	66.5	Low	79 Å²	79	93.7 Å²	93.7	65%	0.653	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-40.7	179.1	0	0	0	0	0	112.4	N21 A26 L27	N21-A23 PolarHBondContact O-N 3.39Å; A23-A26 PolarHBondContact O-N 2.82Å; A23-L27 WeakPolarHBondContact O-CB 3.34Å; A23-L27 PolarHBondContact O-N 2.82Å
24	V	72.7	Confident	68.2	Low	48 Å²	48	94 Å²	94	29%	0.291	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-39.9	179.3	179.6	0	0	0	0	110.7	N19 N21 R22 L27 W28	N19-V24 WeakPolarHBondContact ND2-CG1 3.42Å; N21-V24 HydrophobicContact CB-CB 4.18Å; N21-V24 HydrophobicContact CB-CG2 3.79Å; N21-V24 PolarHBondContact O-N 3.31Å; N21-V24 VanDerWaalsContact O-N 3.14Å; R22-V24 PolarHBondContact O-N 3.32Å; V24-L27 PolarHBondContact O-N 3.35Å; V24-W28 PolarHBondContact O-N 3.39Å
25	K	68.1	Low	69.8	Low	82 Å²	82	91.6 Å²	91.6	36%	0.357	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-44.2	173.7	-65.4	-168	-162.8	-175.8	0	112.2	F17 N19 N21 R22 L27 W28 A29	F17-K25 WeakPolarHBondContact O-CE 3.11Å; F17-K25 PolarHBondContact O-NZ 2.85Å; N19-K25 WeakPolarHBondContact O-CE 3.37Å; N19-K25 PolarHBondContact O-NZ 2.74Å; N21-K25 PolarHBondContact O-N 3Å; R22-K25 PolarHBondContact O-N 2.86Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.81Å; K25-W28 PolarHBondContact O-N 2.76Å; K25-A29 WeakPolarHBondContact O-CB 3.49Å; K25-A29 PolarHBondContact O-N 3.4Å
26	A	73.8	Confident	71.3	Confident	62 Å²	62	86.2 Å²	86.2	51%	0.512	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-42.1	179.7	0	0	0	0	0	111.5	R22 A23 A29 L30	R22-A26 PolarHBondContact O-N 2.81Å; A23-A26 PolarHBondContact O-N 2.82Å; A26-A29 PolarHBondContact O-N 2.86Å; A26-L30 WeakPolarHBondContact O-CB 3.31Å; A26-L30 PolarHBondContact O-N 2.89Å
27	L	76.6	Confident	72.9	Confident	120 Å²	120	88.4 Å²	88.4	63%	0.628	49%	0.493	S	S	*	.	H	α-helix	trans	-65.4	-42.5	177.8	-167.6	141.8	0	0	0	112	A23 V24 K25 L30 F31	A23-L27 WeakPolarHBondContact O-CB 3.34Å; A23-L27 PolarHBondContact O-N 2.82Å; V24-L27 PolarHBondContact O-N 3.35Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.81Å; L27-L30 PolarHBondContact O-N 2.89Å; L27-F31 VanDerWaalsContact O-CB 3.26Å; L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 PolarHBondContact O-N 2.73Å
28	W	72.7	Confident	74.7	Confident	66 Å²	66	84.2 Å²	84.2	25%	0.25	48%	0.483	C	S	.	.	H	α-helix	trans	-64.3	-43.4	173.6	-92.2	103.9	0	0	0	113	V24 K25 F31 A32 L407	V24-W28 PolarHBondContact O-N 3.39Å; K25-W28 PolarHBondContact O-N 2.76Å; W28-F31 PolarHBondContact O-N 2.79Å; W28-A32 VanDerWaalsContact O-CB 3.26Å; W28-A32 WeakPolarHBondContact O-CB 3.25Å; W28-A32 PolarHBondContact O-N 3.12Å; W28-L407 HydrophobicContact CZ2-CD1 3.67Å; W28-L407 HydrophobicContact CZ2-CD2 4.25Å; W28-L407 HydrophobicContact CZ2-CG 4.36Å
29	A	76.3	Confident	76.4	Confident	52 Å²	52	81.6 Å²	81.6	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-62.7	-44.4	177.4	0	0	0	0	0	111	K25 A26 T33	K25-A29 WeakPolarHBondContact O-CB 3.49Å; K25-A29 PolarHBondContact O-N 3.4Å; A26-A29 PolarHBondContact O-N 2.86Å; A29-T33 VanDerWaalsContact O-CB 3.26Å; A29-T33 WeakPolarHBondContact O-CB 3.44Å; A29-T33 PolarHBondContact O-N 2.9Å; A29-T33 PolarHBondContact O-OG1 2.78Å
30	L	80.8	Confident	77.7	Confident	118 Å²	118	82.3 Å²	82.3	62%	0.618	47%	0.472	S	S	*	.	H	α-helix	trans	-60.4	-49.5	175.2	-176.6	74	0	0	0	110.9	A26 L27 T33 C34	A26-L30 WeakPolarHBondContact O-CB 3.31Å; A26-L30 PolarHBondContact O-N 2.89Å; L27-L30 PolarHBondContact O-N 2.89Å; L30-T33 PolarHBondContact O-N 3.25Å; L30-C34 PolarHBondContact O-N 2.97Å; L30-C34 PolarHBondContact O-SG 2.88Å; L30-C34 VanDerWaalsContact O-SG 3.38Å
31	F	79.1	Confident	79	Confident	61 Å²	61	80.2 Å²	80.2	27%	0.268	46%	0.457	S	S	.	.	H	α-helix	trans	-62.5	-47.8	-178.5	179.5	-94.1	0	0	0	112.2	L27 W28 T33 C34 M35 F399 L403	L27-F31 VanDerWaalsContact O-CB 3.26Å; L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 PolarHBondContact O-N 2.73Å; W28-F31 PolarHBondContact O-N 2.79Å; F31-T33 VanDerWaalsContact C-N 3.29Å; F31-T33 PolarHBondContact O-N 2.62Å; F31-C34 PolarHBondContact O-N 2.83Å; F31-M35 HydrophobicContact CD1-CG 4.23Å; F31-M35 HydrophobicContact CE1-CG 3.5Å; F31-M35 VanDerWaalsContact CE1-CG 3.5Å; F31-M35 HydrophobicContact CE1-SD 4.46Å; F31-M35 HydrophobicContact CE2-CG 3.96Å; F31-M35 HydrophobicContact CE2-SD 4.28Å; F31-M35 HydrophobicContact CZ-CG 3.28Å; F31-M35 HydrophobicContact CZ-SD 3.72Å; F31-M35 WeakPolarHBondContact O-CG 3.36Å; F31-M35 PolarHBondContact O-N 3.07Å; F31-F399 AromaticContact CE2-CE1 3.91Å; F31-F399 HydrophobicContact CE2-CE1 3.91Å; F31-F399 AromaticContact CZ-CD1 3.83Å; F31-F399 HydrophobicContact CZ-CD1 3.83Å; F31-F399 AromaticContact CZ-CE1 3.5Å; F31-F399 HydrophobicContact CZ-CE1 3.5Å; F31-L403 HydrophobicContact CD1-CD1 4.12Å; F31-L403 HydrophobicContact CE1-CD1 3.18Å; F31-L403 HydrophobicContact CE2-CD1 3.73Å; F31-L403 HydrophobicContact CZ-CD1 2.98Å; F31-L403 HydrophobicContact CZ-CG 4.48Å
32	A	77.8	Confident	79.9	Confident	46 Å²	46	77 Å²	77	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-60.4	-40.6	175.3	0	0	0	0	0	111.5	W28 M35 V36	W28-A32 VanDerWaalsContact O-CB 3.26Å; W28-A32 WeakPolarHBondContact O-CB 3.25Å; W28-A32 PolarHBondContact O-N 3.12Å; A32-M35 PolarHBondContact O-N 2.87Å; A32-V36 WeakPolarHBondContact O-CB 3.19Å; A32-V36 WeakPolarHBondContact O-CG2 3.33Å; A32-V36 PolarHBondContact O-N 2.9Å
33	T	81	Confident	80.6	Confident	78 Å²	78	68 Å²	68	48%	0.479	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-45.8	176.6	-54.8	0	0	0	0	111.1	A29 L30 F31 M35 V36 I37	A29-T33 VanDerWaalsContact O-CB 3.26Å; A29-T33 WeakPolarHBondContact O-CB 3.44Å; A29-T33 PolarHBondContact O-N 2.9Å; A29-T33 PolarHBondContact O-OG1 2.78Å; L30-T33 PolarHBondContact O-N 3.25Å; F31-T33 VanDerWaalsContact C-N 3.29Å; F31-T33 PolarHBondContact O-N 2.62Å; T33-M35 PolarHBondContact O-N 2.82Å; T33-V36 PolarHBondContact O-N 2.97Å; T33-I37 HydrophobicContact CG2-CD1 3.87Å; T33-I37 WeakPolarHBondContact O-CB 3.35Å; T33-I37 VanDerWaalsContact O-CG1 3.22Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.41Å
34	C	85.5	Confident	81.4	Confident	69 Å²	69	67.2 Å²	67.2	47%	0.466	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176.1	-73.3	0	0	0	0	112.3	L30 F31 I37 A38	L30-C34 PolarHBondContact O-N 2.97Å; L30-C34 PolarHBondContact O-SG 2.88Å; L30-C34 VanDerWaalsContact O-SG 3.38Å; F31-C34 PolarHBondContact O-N 2.83Å; C34-I37 PolarHBondContact O-N 3.03Å; C34-A38 WeakPolarHBondContact O-CB 3.26Å; C34-A38 PolarHBondContact O-N 3.17Å
35	M	82.4	Confident	82.1	Confident	36 Å²	36	68.8 Å²	68.8	18%	0.177	41%	0.411	C	S	.	.	H	α-helix	trans	-64.9	-42.9	177.2	-73.6	-63.7	-71.1	0	0	112.3	F31 A32 T33 I37 A38 L39 F399	F31-M35 HydrophobicContact CD1-CG 4.23Å; F31-M35 HydrophobicContact CE1-CG 3.5Å; F31-M35 VanDerWaalsContact CE1-CG 3.5Å; F31-M35 HydrophobicContact CE1-SD 4.46Å; F31-M35 HydrophobicContact CE2-CG 3.96Å; F31-M35 HydrophobicContact CE2-SD 4.28Å; F31-M35 HydrophobicContact CZ-CG 3.28Å; F31-M35 HydrophobicContact CZ-SD 3.72Å; F31-M35 WeakPolarHBondContact O-CG 3.36Å; F31-M35 PolarHBondContact O-N 3.07Å; A32-M35 PolarHBondContact O-N 2.87Å; T33-M35 PolarHBondContact O-N 2.82Å; M35-I37 VanDerWaalsContact C-N 3.34Å; M35-I37 PolarHBondContact O-N 3.37Å; M35-A38 PolarHBondContact O-N 3.49Å; M35-L39 WeakPolarHBondContact O-CB 3.36Å; M35-L39 PolarHBondContact O-N 3.34Å; M35-F399 HydrophobicContact CE-CB 4.11Å; M35-F399 HydrophobicContact CE-CD1 3.55Å; M35-F399 HydrophobicContact CE-CE1 4.41Å; M35-F399 HydrophobicContact CE-CG 4.19Å; M35-F399 HydrophobicContact SD-CD1 3.9Å; M35-F399 HydrophobicContact SD-CE1 4.19Å
36	V	82.7	Confident	83	Confident	92 Å²	92	65.5 Å²	65.5	56%	0.558	40%	0.398	S	S	*	.	H	α-helix	trans	-62.2	-43.1	175.4	170.8	0	0	0	0	110.4	A32 T33 L39 V40	A32-V36 WeakPolarHBondContact O-CB 3.19Å; A32-V36 WeakPolarHBondContact O-CG2 3.33Å; A32-V36 PolarHBondContact O-N 2.9Å; T33-V36 PolarHBondContact O-N 2.97Å; V36-L39 PolarHBondContact O-N 2.88Å; V36-V40 HydrophobicContact CG1-CG2 4.26Å; V36-V40 WeakPolarHBondContact O-CB 3.27Å; V36-V40 VanDerWaalsContact O-CG2 3.23Å; V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 2.99Å
37	I	87.3	Confident	83.5	Confident	105 Å²	105	66 Å²	66	54%	0.538	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-44	176	-68.3	166.1	0	0	0	111.1	T33 C34 M35 L39 V40 S41	T33-I37 HydrophobicContact CG2-CD1 3.87Å; T33-I37 WeakPolarHBondContact O-CB 3.35Å; T33-I37 VanDerWaalsContact O-CG1 3.22Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.41Å; C34-I37 PolarHBondContact O-N 3.03Å; M35-I37 VanDerWaalsContact C-N 3.34Å; M35-I37 PolarHBondContact O-N 3.37Å; I37-L39 PolarHBondContact O-N 2.77Å; I37-V40 PolarHBondContact O-N 2.82Å; I37-S41 VanDerWaalsContact O-CB 3.29Å; I37-S41 WeakPolarHBondContact O-CB 3.17Å; I37-S41 PolarHBondContact O-N 2.85Å; I37-S41 PolarHBondContact O-OG 2.86Å
38	A	86	Confident	84	Confident	50 Å²	50	66.2 Å²	66.2	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.8	0	0	0	0	0	112.1	C34 M35 S41 S42	C34-A38 WeakPolarHBondContact O-CB 3.26Å; C34-A38 PolarHBondContact O-N 3.17Å; M35-A38 PolarHBondContact O-N 3.49Å; A38-S41 WeakPolarHBondContact CA-OG 3.44Å; A38-S41 PolarHBondContact O-OG 3.21Å; A38-S42 VanDerWaalsContact O-CB 3.32Å; A38-S42 WeakPolarHBondContact O-CB 3.14Å; A38-S42 PolarHBondContact O-N 2.8Å; A38-S42 PolarHBondContact O-OG 3.35Å
39	L	85.9	Confident	84.3	Confident	56 Å²	56	67.8 Å²	67.8	29%	0.293	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-46.9	175.4	-172.6	149.1	0	0	0	111.7	M35 V36 I37 S41 S42 V43 L392 C396	M35-L39 WeakPolarHBondContact O-CB 3.36Å; M35-L39 PolarHBondContact O-N 3.34Å; V36-L39 PolarHBondContact O-N 2.88Å; I37-L39 PolarHBondContact O-N 2.77Å; L39-S41 VanDerWaalsContact C-N 3.34Å; L39-S41 PolarHBondContact O-N 3.24Å; L39-S42 WeakPolarHBondContact CA-OG 2.95Å; L39-S42 PolarHBondContact O-N 2.81Å; L39-S42 PolarHBondContact O-OG 2.91Å; L39-V43 HydrophobicContact CD2-CG2 3.96Å; L39-V43 HydrophobicContact CG-CG2 4.35Å; L39-V43 VanDerWaalsContact O-CB 3.31Å; L39-V43 WeakPolarHBondContact O-CB 3.22Å; L39-V43 VanDerWaalsContact O-CG2 3.23Å; L39-V43 WeakPolarHBondContact O-CG2 3.45Å; L39-V43 PolarHBondContact O-N 2.83Å; L39-L392 HydrophobicContact CG-CD2 4.41Å; L39-C396 HydrophobicContact CD1-CB 3.63Å
40	V	87.4	Confident	84.6	Confident	80 Å²	80	68 Å²	68	49%	0.485	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-43.1	179.1	170.9	0	0	0	0	110.9	V36 I37 S44	V36-V40 HydrophobicContact CG1-CG2 4.26Å; V36-V40 WeakPolarHBondContact O-CB 3.27Å; V36-V40 VanDerWaalsContact O-CG2 3.23Å; V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 2.99Å; I37-V40 PolarHBondContact O-N 2.82Å; V40-S44 WeakPolarHBondContact O-CB 3.39Å; V40-S44 PolarHBondContact O-N 2.96Å; V40-S44 PolarHBondContact O-OG 3Å
41	S	89.1	Confident	84.4	Confident	62 Å²	62	67 Å²	67	43%	0.434	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-44.4	179	55.5	0	0	0	0	112.5	I37 A38 L39 S44 V45	I37-S41 VanDerWaalsContact O-CB 3.29Å; I37-S41 WeakPolarHBondContact O-CB 3.17Å; I37-S41 PolarHBondContact O-N 2.85Å; I37-S41 PolarHBondContact O-OG 2.86Å; A38-S41 WeakPolarHBondContact CA-OG 3.44Å; A38-S41 PolarHBondContact O-OG 3.21Å; L39-S41 VanDerWaalsContact C-N 3.34Å; L39-S41 PolarHBondContact O-N 3.24Å; S41-S44 WeakPolarHBondContact O-CB 3.33Å; S41-S44 PolarHBondContact O-N 2.93Å; S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 2.81Å
42	S	87.6	Confident	84.2	Confident	33 Å²	33	66 Å²	66	23%	0.231	38%	0.382	C	S	.	.	H	α-helix	trans	-67.5	-44	177.3	54.6	0	0	0	0	112.5	A38 L39 S44 V45 V46 L392	A38-S42 VanDerWaalsContact O-CB 3.32Å; A38-S42 WeakPolarHBondContact O-CB 3.14Å; A38-S42 PolarHBondContact O-N 2.8Å; A38-S42 PolarHBondContact O-OG 3.35Å; L39-S42 WeakPolarHBondContact CA-OG 2.95Å; L39-S42 PolarHBondContact O-N 2.81Å; L39-S42 PolarHBondContact O-OG 2.91Å; S42-S44 VanDerWaalsContact C-N 3.3Å; S42-S44 PolarHBondContact O-N 2.61Å; S42-V45 PolarHBondContact O-N 2.81Å; S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.04Å; S42-L392 WeakPolarHBondContact OG-CD2 3.29Å
43	V	87.6	Confident	83.7	Confident	33 Å²	33	68.4 Å²	68.4	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-41.3	172.6	171.8	0	0	0	0	110.8	L39 V45 V46 I47	L39-V43 HydrophobicContact CD2-CG2 3.96Å; L39-V43 HydrophobicContact CG-CG2 4.35Å; L39-V43 VanDerWaalsContact O-CB 3.31Å; L39-V43 WeakPolarHBondContact O-CB 3.22Å; L39-V43 VanDerWaalsContact O-CG2 3.23Å; L39-V43 WeakPolarHBondContact O-CG2 3.45Å; L39-V43 PolarHBondContact O-N 2.83Å; V43-V45 VanDerWaalsContact C-N 3.34Å; V43-V45 PolarHBondContact O-N 2.79Å; V43-V46 PolarHBondContact O-N 2.79Å; V43-I47 HydrophobicContact CG1-CD1 3.67Å; V43-I47 HydrophobicContact CG1-CG1 4.26Å; V43-I47 WeakPolarHBondContact O-CB 3.4Å; V43-I47 VanDerWaalsContact O-CG1 3.28Å; V43-I47 WeakPolarHBondContact O-CG1 3.28Å; V43-I47 PolarHBondContact O-N 3.26Å
44	S	88.1	Confident	83.4	Confident	62 Å²	62	68 Å²	68	43%	0.434	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-40.6	175.6	-61.8	0	0	0	0	112.3	V40 S41 S42 H48	V40-S44 WeakPolarHBondContact O-CB 3.39Å; V40-S44 PolarHBondContact O-N 2.96Å; V40-S44 PolarHBondContact O-OG 3Å; S41-S44 WeakPolarHBondContact O-CB 3.33Å; S41-S44 PolarHBondContact O-N 2.93Å; S42-S44 VanDerWaalsContact C-N 3.3Å; S42-S44 PolarHBondContact O-N 2.61Å; S44-H48 VanDerWaalsContact O-CB 3.29Å; S44-H48 WeakPolarHBondContact O-CB 3.02Å; S44-H48 PolarHBondContact O-N 3.3Å
45	V	87.7	Confident	82.8	Confident	81 Å²	81	67.5 Å²	67.5	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-42.8	175.7	170.7	0	0	0	0	111.2	S41 S42 V43 H48 K49	S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 2.81Å; S42-V45 PolarHBondContact O-N 2.81Å; V43-V45 VanDerWaalsContact C-N 3.34Å; V43-V45 PolarHBondContact O-N 2.79Å; V45-H48 PolarHBondContact O-N 2.92Å; V45-K49 WeakPolarHBondContact O-CG 3.46Å; V45-K49 PolarHBondContact O-N 2.82Å
46	V	86.8	Confident	82.6	Confident	13 Å²	13	68.3 Å²	68.3	8%	0.079	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177.8	173.5	0	0	0	0	110.9	S42 V43 H48 K49 Y50 L385 E388 I389	S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.04Å; V43-V46 PolarHBondContact O-N 2.79Å; V46-H48 VanDerWaalsContact C-N 3.33Å; V46-H48 PolarHBondContact O-N 2.01Å; V46-K49 PolarHBondContact O-N 3.4Å; V46-Y50 PolarHBondContact O-N 3.4Å; V46-L385 HydrophobicContact CG1-CD1 3.5Å; V46-L385 VanDerWaalsContact CG1-CD1 3.5Å; V46-E388 HydrophobicContact CG1-CB 4.24Å; V46-I389 HydrophobicContact CG1-CG1 4.33Å
47	I	85.8	Confident	82.5	Confident	73 Å²	73	68 Å²	68	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-42.6	174.3	-68.3	169.6	0	0	0	110.5	V43 K49 Y50 L51	V43-I47 HydrophobicContact CG1-CD1 3.67Å; V43-I47 HydrophobicContact CG1-CG1 4.26Å; V43-I47 WeakPolarHBondContact O-CB 3.4Å; V43-I47 VanDerWaalsContact O-CG1 3.28Å; V43-I47 WeakPolarHBondContact O-CG1 3.28Å; V43-I47 PolarHBondContact O-N 3.26Å; I47-K49 PolarHBondContact O-N 2.93Å; I47-Y50 WeakPolarHBondContact O-CB 3.38Å; I47-Y50 PolarHBondContact O-N 3.19Å; I47-L51 HydrophobicContact CG2-CD1 3.9Å; I47-L51 HydrophobicContact CG2-CG 4.27Å; I47-L51 WeakPolarHBondContact O-CB 3.42Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.48Å; I47-L51 PolarHBondContact O-N 2.82Å
48	H	85.6	Confident	82.2	Confident	124 Å²	124	69 Å²	69	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-61.4	-44.2	176.4	-175.8	-71.2	0	0	0	111.4	S44 V45 V46 Y50 L51 T52	S44-H48 VanDerWaalsContact O-CB 3.29Å; S44-H48 WeakPolarHBondContact O-CB 3.02Å; S44-H48 PolarHBondContact O-N 3.3Å; V45-H48 PolarHBondContact O-N 2.92Å; V46-H48 VanDerWaalsContact C-N 3.33Å; V46-H48 PolarHBondContact O-N 2.01Å; H48-Y50 VanDerWaalsContact C-N 3.3Å; H48-Y50 PolarHBondContact O-N 3.31Å; H48-L51 CarbonylContact O-C 3.54Å; H48-L51 PolarHBondContact O-N 3.4Å; H48-L51 VanDerWaalsContact O-N 3.16Å; H48-T52 WeakPolarHBondContact O-CG2 3.3Å; H48-T52 PolarHBondContact O-N 3.35Å
49	K	80.9	Confident	82.1	Confident	99 Å²	99	72.7 Å²	72.7	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-36	174.8	-77.2	-175.7	176.9	-175.7	0	112.7	V45 V46 I47 T52	V45-K49 WeakPolarHBondContact O-CG 3.46Å; V45-K49 PolarHBondContact O-N 2.82Å; V46-K49 PolarHBondContact O-N 3.4Å; I47-K49 PolarHBondContact O-N 2.93Å; K49-T52 PolarHBondContact O-OG1 3.45Å
50	Y	80.6	Confident	81.9	Confident	58 Å²	58	72.2 Å²	72.2	23%	0.227	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-43.5	172.3	177	-102.6	0	0	0	111.5	V46 I47 H48 T52 Y53 L382 L385	V46-Y50 PolarHBondContact O-N 3.4Å; I47-Y50 WeakPolarHBondContact O-CB 3.38Å; I47-Y50 PolarHBondContact O-N 3.19Å; H48-Y50 VanDerWaalsContact C-N 3.3Å; H48-Y50 PolarHBondContact O-N 3.31Å; Y50-T52 VanDerWaalsContact C-N 3.26Å; Y50-T52 PolarHBondContact O-N 3.32Å; Y50-Y53 PolarHBondContact O-N 3.17Å; Y50-L382 HydrophobicContact CE2-CB 4.47Å; Y50-L385 HydrophobicContact CD1-CD2 3.9Å; Y50-L385 HydrophobicContact CD2-CB 4.11Å; Y50-L385 HydrophobicContact CD2-CD2 3.85Å; Y50-L385 HydrophobicContact CD2-CG 4.44Å; Y50-L385 HydrophobicContact CE1-CD2 4.15Å; Y50-L385 HydrophobicContact CE2-CD2 4.1Å; Y50-L385 HydrophobicContact CG-CD1 4.42Å; Y50-L385 HydrophobicContact CG-CD2 3.73Å; Y50-L385 HydrophobicContact CG-CG 4.47Å
51	L	78.6	Confident	81.5	Confident	95 Å²	95	76.3 Å²	76.3	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-70.1	-15.4	178.9	-69.6	175	0	0	0	114.3	I47 H48 Y53	I47-L51 HydrophobicContact CG2-CD1 3.9Å; I47-L51 HydrophobicContact CG2-CG 4.27Å; I47-L51 WeakPolarHBondContact O-CB 3.42Å; I47-L51 VanDerWaalsContact O-CG 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.48Å; I47-L51 PolarHBondContact O-N 2.82Å; H48-L51 CarbonylContact O-C 3.54Å; H48-L51 PolarHBondContact O-N 3.4Å; H48-L51 VanDerWaalsContact O-N 3.16Å; L51-Y53 WeakPolarHBondContact O-CD2 3.44Å; L51-Y53 WeakPolarHBondContact O-CE2 3.21Å; L51-Y53 PolarHBondContact O-N 2.66Å
52	T	74.9	Confident	80.7	Confident	42 Å²	42	78.1 Å²	78.1	26%	0.258	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.3	173.9	50.5	0	0	0	0	113.5	H48 K49 Y50 V54 R240	H48-T52 WeakPolarHBondContact O-CG2 3.3Å; H48-T52 PolarHBondContact O-N 3.35Å; K49-T52 PolarHBondContact O-OG1 3.45Å; Y50-T52 VanDerWaalsContact C-N 3.26Å; Y50-T52 PolarHBondContact O-N 3.32Å; T52-V54 VanDerWaalsContact C-N 3.34Å; T52-V54 PolarHBondContact O-N 3.31Å; T52-R240 PolarHBondContact O-NH1 3.32Å
53	Y	67	Low	79.8	Confident	95 Å²	95	78.4 Å²	78.4	37%	0.373	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	52.2	176.5	-64.4	-83.8	0	0	0	113.2	Y50 L51 T55	Y50-Y53 PolarHBondContact O-N 3.17Å; L51-Y53 WeakPolarHBondContact O-CD2 3.44Å; L51-Y53 WeakPolarHBondContact O-CE2 3.21Å; L51-Y53 PolarHBondContact O-N 2.66Å; Y53-T55 PolarHBondContact O-N 3.03Å
54	V	73.3	Confident	78.7	Confident	71 Å²	71	79.1 Å²	79.1	43%	0.43	41%	0.41	S	S	.	.			trans	-69.4	125.5	172.9	-175.5	0	0	0	0	108.3	T52 L379	T52-V54 VanDerWaalsContact C-N 3.34Å; T52-V54 PolarHBondContact O-N 3.31Å; V54-L379 HydrophobicContact CB-CB 4.31Å; V54-L379 HydrophobicContact CB-CD2 4.16Å; V54-L379 HydrophobicContact CG1-CB 4.27Å; V54-L379 HydrophobicContact CG1-CD2 3.75Å; V54-L379 VanDerWaalsContact O-CB 3.23Å; V54-L379 WeakPolarHBondContact O-CB 3.48Å; V54-L379 PolarHBondContact O-N 3.29Å
55	T	73.7	Confident	77.2	Confident	57 Å²	57	83.5 Å²	83.5	35%	0.35	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.6	176	54.5	0	0	0	0	110.4	Y53 L236 E377	Y53-T55 PolarHBondContact O-N 3.03Å; T55-L236 HydrophobicContact CG2-CD2 4.21Å; T55-E377 CarbonylContact C-O 3.58Å; T55-E377 WeakPolarHBondContact CA-O 3.32Å; T55-E377 WeakPolarHBondContact CB-O 3.34Å
56	V	78.5	Confident	75.9	Confident	53 Å²	53	84.3 Å²	84.3	32%	0.321	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.3	168.3	-78.4	0	0	0	0	109	E376 E377 L379	V56-E376 WeakPolarHBondContact O-CA 3.31Å; V56-E377 HydrophobicContact CG2-CB 4.41Å; V56-E377 PolarHBondContact N-O 3.41Å; V56-E377 PolarHBondContact O-N 2.69Å; V56-L379 HydrophobicContact CG1-CB 4.17Å; V56-L379 HydrophobicContact CG1-CD1 3.51Å; V56-L379 HydrophobicContact CG1-CG 4.31Å; V56-L379 HydrophobicContact CG2-CB 4.36Å; V56-L379 HydrophobicContact CG2-CD1 4.25Å
57	V	80.4	Confident	74.8	Confident	87 Å²	87	85.4 Å²	85.4	53%	0.527	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116	174	-176.8	0	0	0	0	107.7	L59 M374 T375 E376	V57-L59 HydrophobicContact CG1-CD2 4.3Å; V57-M374 HydrophobicContact CG1-CB 4.04Å; V57-T375 WeakPolarHBondContact CA-O 3.06Å; V57-E376 HydrophobicContact CG2-CG 4.2Å
58	R	81	Confident	74.3	Confident	126 Å²	126	83.7 Å²	83.7	48%	0.475	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.8	170.3	171.5	-179.2	175.7	117.5	15	108.5	D60 M374 T375	R58-D60 IonicContact CZ-OD1 2.7Å; R58-D60 VanDerWaalsContact CZ-OD1 3.32Å; R58-D60 IonicContact CZ-OD2 2.95Å; R58-D60 VanDerWaalsContact NE-CG 3.28Å; R58-D60 IonicContact NE-OD1 3.48Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.24Å; R58-D60 PolarHBondContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD1 3.56Å; R58-D60 PolarHBondContact NH2-OD1 2.91Å; R58-D60 IonicContact NH2-OD2 2.68Å; R58-M374 CarbonylContact O-C 3.46Å; R58-M374 WeakPolarHBondContact O-CA 3.38Å; R58-T375 WeakPolarHBondContact CB-OG1 3.23Å; R58-T375 PolarHBondContact N-O 3.1Å; R58-T375 PolarHBondContact O-N 3.39Å
59	L	83.3	Confident	74.1	Confident	127 Å²	127	79.7 Å²	79.7	67%	0.665	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.8	176.5	-64.4	176.2	0	0	0	108.1	V57 E373 M374	V57-L59 HydrophobicContact CG1-CD2 4.3Å; L59-E373 WeakPolarHBondContact CA-O 3.36Å; L59-M374 HydrophobicContact CD2-CB 4.03Å; L59-M374 HydrophobicContact CD2-CG 3.46Å; L59-M374 VanDerWaalsContact CD2-CG 3.46Å; L59-M374 HydrophobicContact CD2-SD 3.95Å
60	D	81.2	Confident	74.5	Confident	46 Å²	46	75 Å²	75	25%	0.246	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.6	172.3	-68.5	-46.5	0	0	0	108.9	R58 E373	R58-D60 IonicContact CZ-OD1 2.7Å; R58-D60 VanDerWaalsContact CZ-OD1 3.32Å; R58-D60 IonicContact CZ-OD2 2.95Å; R58-D60 VanDerWaalsContact NE-CG 3.28Å; R58-D60 IonicContact NE-OD1 3.48Å; R58-D60 PolarHBondContact NE-OD1 2.86Å; R58-D60 IonicContact NE-OD2 3.24Å; R58-D60 PolarHBondContact NE-OD2 3.09Å; R58-D60 IonicContact NH2-OD1 3.56Å; R58-D60 PolarHBondContact NH2-OD1 2.91Å; R58-D60 IonicContact NH2-OD2 2.68Å; D60-E373 HydrophobicContact CB-CB 4.43Å; D60-E373 PolarHBondContact N-O 2.91Å; D60-E373 PolarHBondContact O-N 2.82Å
61	Q	79.1	Confident	75.1	Confident	165 Å²	165	72.3 Å²	72.3	77%	0.771	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.6	168.7	-70.6	-175.9	-1.7	0	0	108.1	L371 T372	Q61-L371 WeakPolarHBondContact CA-O 3.42Å; Q61-T372 HydrophobicContact CG-CG2 4.43Å
62	R	72.3	Confident	75.9	Confident	100 Å²	100	67.8 Å²	67.8	38%	0.377	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.8	173.9	-61.9	-168.6	-169.7	-157.8	-1.2	110.2	D66 L371 E373	R62-D66 WeakPolarHBondContact CD-OD2 3.24Å; R62-D66 IonicContact NH1-OD2 2.69Å; R62-L371 HydrophobicContact CB-CB 4.37Å; R62-L371 PolarHBondContact N-O 3.47Å; R62-L371 PolarHBondContact O-N 2.87Å; R62-E373 IonicContact CZ-OE2 2.82Å; R62-E373 IonicContact NE-OE2 3.9Å; R62-E373 PolarHBondContact NE-OE2 2.73Å; R62-E373 IonicContact NH2-OE1 3.38Å; R62-E373 PolarHBondContact NH2-OE1 3.15Å; R62-E373 IonicContact NH2-OE2 3.9Å; R62-E373 PolarHBondContact NH2-OE2 3.26Å
63	G	68.8	Low	76.9	Confident	40 Å²	40	65.8 Å²	65.8	41%	0.412	35%	0.349	S	S	.	.			trans	-71.2	169.3	168.6	0	0	0	0	0	112	K65	G63-K65 PolarHBondContact O-N 3.47Å; G63-K65 VanDerWaalsContact O-N 3.13Å
64	P	65.6	Low	78.3	Confident	47 Å²	47	61.3 Å²	61.3	31%	0.305	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-2.9	-176.4	28.2	-34	0	0	0	114.3	D66 F174 E369	P64-D66 VanDerWaalsContact C-N 3.28Å; P64-D66 PolarHBondContact O-N 3.22Å; P64-F174 HydrophobicContact CB-CB 4.4Å; P64-F174 VanDerWaalsContact O-CB 3.27Å; P64-F174 WeakPolarHBondContact O-CB 3.41Å; P64-E369 WeakPolarHBondContact CD-O 3.33Å
65	K	57.2	Low	79.4	Confident	155 Å²	155	57.9 Å²	57.9	67%	0.674	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.2	-167.3	-69.1	-171.4	176.1	-177.2	0	115.9	G63 G67 T173	G63-K65 PolarHBondContact O-N 3.47Å; G63-K65 VanDerWaalsContact O-N 3.13Å; K65-G67 PolarHBondContact O-N 2.87Å; K65-T173 PolarHBondContact O-OG1 2.95Å
66	D	59.3	Low	80.5	Confident	98 Å²	98	55.5 Å²	55.5	52%	0.524	30%	0.296	S	S	.	.	S	Bend	trans	-89.2	24.6	-166.8	-72.1	-5.3	0	0	0	115.5	R62 P64 V68	R62-D66 WeakPolarHBondContact CD-OD2 3.24Å; R62-D66 IonicContact NH1-OD2 2.69Å; P64-D66 VanDerWaalsContact C-N 3.28Å; P64-D66 PolarHBondContact O-N 3.22Å; D66-V68 HydrophobicContact CB-CG2 4.42Å; D66-V68 PolarHBondContact O-N 3Å
67	G	64.4	Low	81.3	Confident	36 Å²	36	53 Å²	53	37%	0.371	28%	0.281	S	S	.	.			trans	65.2	25.5	175.7	0	0	0	0	0	114	K65 P69 T173	K65-G67 PolarHBondContact O-N 2.87Å; G67-P69 WeakPolarHBondContact O-CD 3.4Å; G67-T173 WeakPolarHBondContact CA-O 3.31Å; G67-T173 PolarHBondContact N-O 3.16Å
68	V	75.7	Confident	81.9	Confident	37 Å²	37	49.9 Å²	49.9	22%	0.224	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.2	121.3	177.7	-179.1	0	0	0	0	108.5	D66 W175	D66-V68 HydrophobicContact CB-CG2 4.42Å; D66-V68 PolarHBondContact O-N 3Å; V68-W175 PolarHBondContact O-NE1 3.24Å
69	P	80.7	Confident	82.4	Confident	39 Å²	39	44.2 Å²	44.2	25%	0.253	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-67.3	158.9	178.8	28	-34.6	0	0	0	111.8	G67 T202	G67-P69 WeakPolarHBondContact O-CD 3.4Å; P69-T202 HydrophobicContact CG-CG2 4.12Å
70	P	88.9	Confident	82.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-52	151.8	167.4	-25.3	34.6	0	0	0	112.9	T137 Y143 L164 W175 F178	P70-T137 HydrophobicContact CG-CG2 4.1Å; P70-Y143 HydrophobicContact CG-CD1 4.48Å; P70-Y143 HydrophobicContact CG-CE1 3.96Å; P70-L164 HydrophobicContact CB-CD1 4.42Å; P70-L164 HydrophobicContact CG-CB 4.36Å; P70-L164 HydrophobicContact CG-CD1 4.28Å; P70-W175 VanDerWaalsContact CA-CZ2 3.41Å; P70-W175 HydrophobicContact CB-CH2 4.46Å; P70-W175 HydrophobicContact CB-CZ2 4.21Å; P70-W175 HydrophobicContact CG-CD2 4.15Å; P70-W175 HydrophobicContact CG-CG 4.15Å; P70-F178 HydrophobicContact CB-CD2 4.23Å; P70-F178 HydrophobicContact CB-CE2 4.42Å; P70-F178 HydrophobicContact CB-CG 4.3Å
71	P	92.8	Very high	83.4	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.013	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-58.7	151.4	172.9	26.9	-35.3	0	0	0	110.4	W175 F178 Y345 L365	P71-W175 HydrophobicContact CG-CH2 4.33Å; P71-F178 HydrophobicContact CG-CD1 4.48Å; P71-Y345 HydrophobicContact CB-CE1 3.89Å; P71-L365 HydrophobicContact CG-CD1 3.82Å
72	A	95.2	Very high	83.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	144	168.5	0	0	0	0	0	109.6	T161 F162 Q163 T199 H200	A72-T161 HydrophobicContact CB-CG2 4.43Å; A72-F162 CarbonylContact C-O 3.5Å; A72-F162 WeakPolarHBondContact CA-O 3.25Å; A72-Q163 HydrophobicContact CB-CB 4.37Å; A72-T199 WeakPolarHBondContact O-CA 3.48Å; A72-H200 VanDerWaalsContact CB-CE1 3.46Å; A72-H200 WeakPolarHBondContact CB-CE1 3.38Å; A72-H200 PolarHBondContact N-O 3.37Å; A72-H200 PolarHBondContact O-CD2 3.12Å; A72-H200 PolarHBondContact O-N 2.96Å
73	V	96.5	Very high	84.3	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.8	179.9	-177.4	0	0	0	0	109.2	I75 F135 T161 F162 F178 T180 I197 I198	V73-I75 HydrophobicContact CG1-CD1 4.47Å; V73-I75 HydrophobicContact CG1-CG1 4.04Å; V73-F135 HydrophobicContact CB-CE1 4.45Å; V73-T161 CarbonylContact O-C 3.55Å; V73-T161 WeakPolarHBondContact O-CA 3.43Å; V73-F162 PolarHBondContact N-O 3.35Å; V73-F162 PolarHBondContact O-N 3.07Å; V73-F178 HydrophobicContact CG2-CE1 3.53Å; V73-F178 HydrophobicContact CG2-CZ 4.16Å; V73-T180 HydrophobicContact CG1-CG2 4.44Å; V73-I197 HydrophobicContact CG1-CG2 3.39Å; V73-I198 CarbonylContact C-O 3.54Å; V73-I198 WeakPolarHBondContact CA-O 3.46Å
74	T	96.8	Very high	85.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.7	172.2	-63.4	0	0	0	0	109.9	C159 T160 T161 I197 I198 H200 P206	T74-C159 HydrophobicContact CG2-CB 3.57Å; T74-T160 CarbonylContact C-O 3.53Å; T74-T160 WeakPolarHBondContact CA-O 3.34Å; T74-T161 WeakPolarHBondContact OG1-CB 3.46Å; T74-T161 VanDerWaalsContact OG1-CG2 3.32Å; T74-T161 WeakPolarHBondContact OG1-CG2 3.49Å; T74-T161 PolarHBondContact OG1-OG1 3.08Å; T74-I197 WeakPolarHBondContact O-CA 3.28Å; T74-I198 HydrophobicContact CG2-CD1 4.48Å; T74-I198 PolarHBondContact N-O 3.42Å; T74-I198 PolarHBondContact O-N 3.13Å; T74-H200 PolarHBondContact OG1-NE2 2.89Å; T74-P206 HydrophobicContact CG2-CB 4.13Å; T74-P206 HydrophobicContact CG2-CG 4.08Å; T74-P206 VanDerWaalsContact OG1-CB 3.31Å; T74-P206 WeakPolarHBondContact OG1-CB 3.46Å
75	I	96.8	Very high	85.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.3	-178	-62.1	164.7	0	0	0	108.8	V73 L77 F131 V133 C159 T160 F162 T180 V182	V73-I75 HydrophobicContact CG1-CD1 4.47Å; V73-I75 HydrophobicContact CG1-CG1 4.04Å; I75-L77 HydrophobicContact CG2-CD2 3.86Å; I75-L77 HydrophobicContact CG2-CG 4.14Å; I75-F131 HydrophobicContact CG2-CE2 4.45Å; I75-V133 HydrophobicContact CD1-CB 4.46Å; I75-V133 HydrophobicContact CD1-CG1 3.85Å; I75-V133 HydrophobicContact CD1-CG2 3.7Å; I75-C159 CarbonylContact O-C 3.49Å; I75-C159 WeakPolarHBondContact O-CA 3.48Å; I75-C159 VanDerWaalsContact O-CB 3.32Å; I75-C159 WeakPolarHBondContact O-CB 3.35Å; I75-T160 PolarHBondContact N-O 3.28Å; I75-T160 PolarHBondContact O-N 2.87Å; I75-F162 HydrophobicContact CB-CE2 4.41Å; I75-F162 HydrophobicContact CD1-CD2 3.93Å; I75-F162 HydrophobicContact CD1-CE2 3.73Å; I75-F162 HydrophobicContact CG1-CD2 4.43Å; I75-F162 HydrophobicContact CG1-CE2 4.34Å; I75-T180 HydrophobicContact CD1-CG2 4.35Å; I75-V182 HydrophobicContact CD1-CG2 3.46Å; I75-V182 VanDerWaalsContact CD1-CG2 3.46Å; I75-V182 HydrophobicContact CG1-CG2 4.25Å; I75-V182 HydrophobicContact CG2-CG1 4.18Å
76	C	95.8	Very high	87	Confident	6 Å²	6	29.8 Å²	29.8	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105.3	175.2	-52.1	0	0	0	0	108.9	C159 L196	C76-C159 HydrophobicContact CB-CB 3.98Å; C76-C159 WeakPolarHBondContact CB-SG 3.43Å; C76-C159 WeakPolarHBondContact SG-CB 3.04Å; C76-C159 CovalentContact SG-SG 2.02Å; C76-C159 PolarHBondContact SG-SG 3.22Å; C76-L196 HydrophobicContact CB-CB 4.09Å; C76-L196 PolarHBondContact N-O 2.91Å; C76-L196 PolarHBondContact O-N 3.26Å
77	L	95.4	Very high	87.7	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.5	176.2	-63	-172.7	0	0	0	110.8	I75 E79 H80 F131 V182 L191 P195	I75-L77 HydrophobicContact CG2-CD2 3.86Å; I75-L77 HydrophobicContact CG2-CG 4.14Å; L77-E79 HydrophobicContact CB-CB 4.37Å; L77-E79 WeakPolarHBondContact CB-OE2 3.39Å; L77-E79 PolarHBondContact O-N 2.81Å; L77-H80 PolarHBondContact O-N 2.98Å; L77-H80 VanDerWaalsContact O-N 3.09Å; L77-F131 HydrophobicContact CD1-CB 3.64Å; L77-F131 HydrophobicContact CD1-CD1 3.88Å; L77-F131 HydrophobicContact CD1-CD2 3.83Å; L77-F131 HydrophobicContact CD1-CE1 4.49Å; L77-F131 HydrophobicContact CD1-CE2 4.4Å; L77-F131 HydrophobicContact CD1-CG 3.51Å; L77-V182 HydrophobicContact CD2-CG1 4.15Å; L77-L191 HydrophobicContact CD2-CD2 4.39Å; L77-P195 HydrophobicContact CD2-CB 3.71Å
78	T	93	Very high	88.3	Confident	21 Å²	21	30.1 Å²	30.1	13%	0.129	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-31.8	177.5	-62.5	0	0	0	0	110.7	H80 Q81 Y84 L192	T78-H80 PolarHBondContact O-N 3.25Å; T78-Q81 WeakPolarHBondContact O-CB 3.49Å; T78-Q81 VanDerWaalsContact O-CG 3.31Å; T78-Q81 WeakPolarHBondContact O-CG 3.39Å; T78-Q81 PolarHBondContact O-N 3.07Å; T78-Q81 VanDerWaalsContact O-N 3.15Å; T78-Y84 HydrophobicContact CG2-CE2 4.18Å; T78-Y84 VanDerWaalsContact O-CD2 3.28Å; T78-Y84 WeakPolarHBondContact O-CD2 3.31Å; T78-Y84 WeakPolarHBondContact O-CE2 3.25Å; T78-L192 HydrophobicContact CG2-CB 4.26Å
79	E	91.6	Very high	88.5	Confident	6 Å²	6	28.4 Å²	28.4	3%	0.028	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	-25.8	173.4	-66.5	71.3	-166.5	0	0	113.1	L77 K129 L191 L192	L77-E79 HydrophobicContact CB-CB 4.37Å; L77-E79 WeakPolarHBondContact CB-OE2 3.39Å; L77-E79 PolarHBondContact O-N 2.81Å; E79-K129 HydrophobicContact CB-CB 4.11Å; E79-K129 HydrophobicContact CB-CD 4.45Å; E79-K129 HydrophobicContact CB-CG 4.42Å; E79-K129 HydrophobicContact CG-CB 4.06Å; E79-K129 HydrophobicContact CG-CD 3.7Å; E79-K129 HydrophobicContact CG-CG 4.18Å; E79-L191 WeakPolarHBondContact OE1-CA 3.49Å; E79-L192 HydrophobicContact CG-CD1 4.01Å; E79-L192 HydrophobicContact CG-CG 4.22Å; E79-L192 PolarHBondContact OE1-N 3.39Å
80	H	93	Very high	88.3	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	12.4	-177.8	-61.6	164.9	0	0	0	112.6	L77 T78 T82 F124 K129 F131 I158	L77-H80 PolarHBondContact O-N 2.98Å; L77-H80 VanDerWaalsContact O-N 3.09Å; T78-H80 PolarHBondContact O-N 3.25Å; H80-T82 PolarHBondContact O-N 2.74Å; H80-F124 HydrophobicContact CB-CE1 4.07Å; H80-F124 HydrophobicContact CB-CZ 3.9Å; H80-F124 AromaticContact CG-CE1 3.95Å; H80-K129 PolarHBondContact NE2-O 3.35Å; H80-F131 AromaticContact CE1-CD1 3.51Å; H80-F131 AromaticContact CE1-CE1 3.44Å; H80-F131 VanDerWaalsContact CE1-CE1 3.44Å; H80-F131 WeakPolarHBondContact CE1-CE1 3.47Å; H80-I158 VanDerWaalsContact CB-O 3.29Å; H80-I158 WeakPolarHBondContact CB-O 3.43Å; H80-I158 PolarHBondContact O-N 3.5Å
81	Q	91.6	Very high	87.5	Confident	31 Å²	31	34.7 Å²	34.7	15%	0.145	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.8	168.5	-70.2	175.6	-16.9	0	0	110.3	T78 K83 Y84 D156 S157	T78-Q81 WeakPolarHBondContact O-CB 3.49Å; T78-Q81 VanDerWaalsContact O-CG 3.31Å; T78-Q81 WeakPolarHBondContact O-CG 3.39Å; T78-Q81 PolarHBondContact O-N 3.07Å; T78-Q81 VanDerWaalsContact O-N 3.15Å; Q81-K83 HydrophobicContact CB-CG 4.05Å; Q81-K83 PolarHBondContact O-N 3.39Å; Q81-Y84 HydrophobicContact CB-CD2 3.87Å; Q81-Y84 HydrophobicContact CB-CE2 4.2Å; Q81-Y84 PolarHBondContact O-N 2.89Å; Q81-D156 CarbonylContact C-O 3.45Å; Q81-D156 VanDerWaalsContact CA-O 3.26Å; Q81-D156 WeakPolarHBondContact CA-O 3.28Å; Q81-S157 WeakPolarHBondContact CG-OG 3.46Å
82	T	85.9	Confident	86.4	Confident	12 Å²	12	38.1 Å²	38.1	7%	0.074	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-22.4	179.7	54.8	0	0	0	0	114.1	H80 Y84 L85 Y90 D156 I158 L283 L284	H80-T82 PolarHBondContact O-N 2.74Å; T82-Y84 VanDerWaalsContact C-N 3.34Å; T82-L85 PolarHBondContact O-N 3.45Å; T82-Y90 PolarHBondContact O-OH 3.05Å; T82-D156 WeakPolarHBondContact CG2-O 3.25Å; T82-D156 PolarHBondContact N-O 2.92Å; T82-D156 WeakPolarHBondContact OG1-CB 3.31Å; T82-D156 PolarHBondContact OG1-O 2.75Å; T82-I158 HydrophobicContact CG2-CD1 3.75Å; T82-I158 HydrophobicContact CG2-CG1 4.12Å; T82-L283 HydrophobicContact CG2-CB 4.22Å; T82-L284 HydrophobicContact CG2-CD2 4.26Å
83	K	84.5	Confident	85	Confident	99 Å²	99	39.7 Å²	39.7	43%	0.43	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.2	174.3	71.7	-173.6	-176.2	-162.2	0	114	Q81	Q81-K83 HydrophobicContact CB-CG 4.05Å; Q81-K83 PolarHBondContact O-N 3.39Å
84	Y	85.5	Confident	83.2	Confident	119 Å²	119	44.9 Å²	44.9	47%	0.467	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.4	177.8	-60	-59.5	0	0	0	112.8	T78 Q81 T82	T78-Y84 HydrophobicContact CG2-CE2 4.18Å; T78-Y84 VanDerWaalsContact O-CD2 3.28Å; T78-Y84 WeakPolarHBondContact O-CD2 3.31Å; T78-Y84 WeakPolarHBondContact O-CE2 3.25Å; Q81-Y84 HydrophobicContact CB-CD2 3.87Å; Q81-Y84 HydrophobicContact CB-CE2 4.2Å; Q81-Y84 PolarHBondContact O-N 2.89Å; T82-Y84 VanDerWaalsContact C-N 3.34Å
85	L	83	Confident	81.7	Confident	12 Å²	12	52.6 Å²	52.6	6%	0.063	26%	0.257	C	S	.	.	S	Bend	trans	-70.1	137	-177.8	-168.1	62.1	0	0	0	111.5	T82 Y89 Y90 F124 T128 L284	T82-L85 PolarHBondContact O-N 3.45Å; L85-Y89 HydrophobicContact CD1-CD1 4.41Å; L85-Y89 HydrophobicContact CD1-CG 4.36Å; L85-Y89 HydrophobicContact CD2-CD1 3.27Å; L85-Y89 HydrophobicContact CD2-CE1 3.84Å; L85-Y89 HydrophobicContact CD2-CG 3.96Å; L85-Y89 HydrophobicContact CG-CD1 4.08Å; L85-Y89 HydrophobicContact CG-CG 4.29Å; L85-Y90 HydrophobicContact CB-CE2 4.2Å; L85-Y90 WeakPolarHBondContact CB-OH 3.44Å; L85-Y90 HydrophobicContact CD2-CE1 3.88Å; L85-Y90 HydrophobicContact CD2-CE2 3.97Å; L85-Y90 VanDerWaalsContact CD2-CZ 3.46Å; L85-Y90 VanDerWaalsContact CD2-OH 3.31Å; L85-Y90 WeakPolarHBondContact CD2-OH 3.03Å; L85-Y90 HydrophobicContact CG-CE2 4.16Å; L85-F124 HydrophobicContact CD1-CD2 3.92Å; L85-F124 HydrophobicContact CD1-CE2 3.7Å; L85-F124 HydrophobicContact CD2-CD2 4.12Å; L85-F124 HydrophobicContact CD2-CE2 3.92Å; L85-F124 HydrophobicContact CG-CE2 4.43Å; L85-T128 HydrophobicContact CD1-CG2 3.34Å; L85-L284 HydrophobicContact CD2-CD2 3.65Å
86	H	79.8	Confident	80.7	Confident	104 Å²	104	53.2 Å²	53.2	48%	0.481	26%	0.26	S	S	.	.			trans	-66.5	136.6	179.6	-161.7	59.6	0	0	0	112.1	E88 Y89 Y127	H86-E88 IonicContact CD2-OE2 3.03Å; H86-E88 PolarHBondContact O-N 3.03Å; H86-Y89 WeakPolarHBondContact O-CB 3.37Å; H86-Y89 PolarHBondContact O-N 3.23Å; H86-Y89 VanDerWaalsContact O-N 3.1Å; H86-Y127 HydrophobicContact CB-CD1 4.02Å
87	S	74.5	Confident	80	Confident	45 Å²	45	54.3 Å²	54.3	32%	0.315	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.6	-174.8	74.2	0	0	0	0	114.5
88	E	77.6	Confident	79.6	Confident	96 Å²	96	54.7 Å²	54.7	45%	0.449	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.4	178	-166.6	177.9	-174.8	0	0	112.7	H86 Y90 R91 T92 Y127	H86-E88 IonicContact CD2-OE2 3.03Å; H86-E88 PolarHBondContact O-N 3.03Å; E88-Y90 VanDerWaalsContact C-N 3.27Å; E88-Y90 PolarHBondContact O-N 3.44Å; E88-R91 PolarHBondContact O-N 3.21Å; E88-T92 HydrophobicContact CG-CG2 4.43Å; E88-T92 PolarHBondContact O-N 2.86Å; E88-T92 PolarHBondContact O-OG1 2.71Å; E88-Y127 HydrophobicContact CB-CE1 3.99Å; E88-Y127 HydrophobicContact CG-CE1 4.22Å
89	Y	80.6	Confident	79.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-54.9	-44.8	179.4	177.2	-106	0	0	0	112	L85 H86 R91 T92 N93 L96 K123 F124 Y127 Q150 L284	L85-Y89 HydrophobicContact CD1-CD1 4.41Å; L85-Y89 HydrophobicContact CD1-CG 4.36Å; L85-Y89 HydrophobicContact CD2-CD1 3.27Å; L85-Y89 HydrophobicContact CD2-CE1 3.84Å; L85-Y89 HydrophobicContact CD2-CG 3.96Å; L85-Y89 HydrophobicContact CG-CD1 4.08Å; L85-Y89 HydrophobicContact CG-CG 4.29Å; H86-Y89 WeakPolarHBondContact O-CB 3.37Å; H86-Y89 PolarHBondContact O-N 3.23Å; H86-Y89 VanDerWaalsContact O-N 3.1Å; Y89-R91 PolarHBondContact O-N 2.81Å; Y89-T92 PolarHBondContact O-N 2.83Å; Y89-T92 PolarHBondContact O-OG1 3.09Å; Y89-N93 HydrophobicContact CE2-CB 4.39Å; Y89-N93 PolarHBondContact O-N 2.84Å; Y89-N93 PolarHBondContact OH-ND2 3.01Å; Y89-L96 HydrophobicContact CE1-CD2 4.21Å; Y89-K123 HydrophobicContact CE2-CB 4.3Å; Y89-F124 HydrophobicContact CE1-CD2 4.22Å; Y89-F124 VanDerWaalsContact CE2-CA 3.45Å; Y89-F124 HydrophobicContact CE2-CB 4.09Å; Y89-Y127 AromaticContact CD2-CD2 3.41Å; Y89-Y127 HydrophobicContact CD2-CD2 3.41Å; Y89-Y127 VanDerWaalsContact CD2-CD2 3.41Å; Y89-Y127 AromaticContact CD2-CE2 3.75Å; Y89-Y127 HydrophobicContact CD2-CE2 3.75Å; Y89-Y127 HydrophobicContact CD2-CG 4.24Å; Y89-Y127 HydrophobicContact CE2-CD2 4.39Å; Y89-Y127 HydrophobicContact CG-CD2 4.05Å; Y89-Y127 HydrophobicContact CG-CG 4.48Å; Y89-Q150 PolarHBondContact OH-OE1 2.85Å; Y89-L284 HydrophobicContact CD1-CD2 4.34Å; Y89-L284 HydrophobicContact CE1-CD1 3.97Å; Y89-L284 HydrophobicContact CE1-CD2 3.86Å
90	Y	76.5	Confident	79.4	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-22.2	-178.1	-56.9	-76.7	0	0	0	113.1	T82 L85 E88 L284 R287 L288	T82-Y90 PolarHBondContact O-OH 3.05Å; L85-Y90 HydrophobicContact CB-CE2 4.2Å; L85-Y90 WeakPolarHBondContact CB-OH 3.44Å; L85-Y90 HydrophobicContact CD2-CE1 3.88Å; L85-Y90 HydrophobicContact CD2-CE2 3.97Å; L85-Y90 VanDerWaalsContact CD2-CZ 3.46Å; L85-Y90 VanDerWaalsContact CD2-OH 3.31Å; L85-Y90 WeakPolarHBondContact CD2-OH 3.03Å; L85-Y90 HydrophobicContact CG-CE2 4.16Å; E88-Y90 VanDerWaalsContact C-N 3.27Å; E88-Y90 PolarHBondContact O-N 3.44Å; Y90-L284 HydrophobicContact CD1-CD2 4.42Å; Y90-L284 HydrophobicContact CE1-CB 4.41Å; Y90-L284 HydrophobicContact CE1-CD2 3.62Å; Y90-R287 HydrophobicContact CE1-CB 3.82Å; Y90-R287 HydrophobicContact CE1-CG 3.86Å; Y90-R287 HydrophobicContact CE2-CG 4.01Å; Y90-R287 VanDerWaalsContact CZ-CG 3.46Å; Y90-R287 WeakPolarHBondContact OH-CG 3.22Å; Y90-L288 HydrophobicContact CD1-CB 4.22Å
91	R	71.4	Confident	79.1	Confident	167 Å²	167	60 Å²	60	63%	0.63	30%	0.295	S	S	*	.	H	α-helix	trans	-84.1	-32.4	-178.9	-61.4	-171.6	-164.7	-178.5	9	112.9	E88 Y89	E88-R91 PolarHBondContact O-N 3.21Å; Y89-R91 PolarHBondContact O-N 2.81Å
92	T	70	Confident	78.8	Confident	75 Å²	75	59.9 Å²	59.9	46%	0.46	30%	0.299	S	S	.	.	H	α-helix	trans	-92.4	-20.4	-170.1	54.8	0	0	0	0	113.1	E88 Y89	E88-T92 HydrophobicContact CG-CG2 4.43Å; E88-T92 PolarHBondContact O-N 2.86Å; E88-T92 PolarHBondContact O-OG1 2.71Å; Y89-T92 PolarHBondContact O-N 2.83Å; Y89-T92 PolarHBondContact O-OG1 3.09Å
93	N	66	Low	78.9	Confident	32 Å²	32	62.8 Å²	62.8	17%	0.171	32%	0.32	C	S	.	.			trans	-112.4	116.4	-168.4	-146.6	2.4	0	0	0	113	Y89	Y89-N93 HydrophobicContact CE2-CB 4.39Å; Y89-N93 PolarHBondContact O-N 2.84Å; Y89-N93 PolarHBondContact OH-ND2 3.01Å
94	S	58	Low	79	Confident	111 Å²	111	60.1 Å²	60.1	78%	0.776	31%	0.308	S	S	*	.	S	Bend	trans	-86	-21.5	-179.4	57.3	0	0	0	0	114.1
95	K	66.3	Low	79	Confident	161 Å²	161	58.7 Å²	58.7	70%	0.7	32%	0.316	S	S	*	.			trans	-103.4	82.3	-177.4	-65.8	-173.5	-179.9	-176	0	111.2	N97	K95-N97 VanDerWaalsContact C-N 3.27Å; K95-N97 PolarHBondContact O-N 2.74Å
96	L	74	Confident	78.8	Confident	13 Å²	13	59.7 Å²	59.7	7%	0.068	32%	0.323	C	S	.	.			trans	-86.9	53.5	178.2	-58.8	175.3	0	0	0	112.1	Y89 L284 R285 L288	Y89-L96 HydrophobicContact CE1-CD2 4.21Å; L96-L284 HydrophobicContact CB-CB 4.07Å; L96-L284 HydrophobicContact CD1-CB 4.13Å; L96-L284 HydrophobicContact CD2-CB 3.89Å; L96-L284 HydrophobicContact CD2-CD1 4.04Å; L96-L284 HydrophobicContact CG-CB 4.24Å; L96-R285 HydrophobicContact CB-CG 3.93Å; L96-R285 HydrophobicContact CD1-CB 4.43Å; L96-R285 HydrophobicContact CD1-CG 3.67Å; L96-R285 HydrophobicContact CG-CG 4.43Å; L96-L288 HydrophobicContact CD1-CD2 4.15Å
97	N	82.7	Confident	78.4	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.16	32%	0.32	C	S	.	.	S	Bend	trans	-121.5	173.3	-179.1	-69.4	-11.8	0	0	0	111	K95 V99 D252 R285	K95-N97 VanDerWaalsContact C-N 3.27Å; K95-N97 PolarHBondContact O-N 2.74Å; N97-V99 PolarHBondContact O-N 3.35Å; N97-D252 PolarHBondContact ND2-OD2 3.31Å; N97-R285 PolarHBondContact OD1-NH2 2.81Å
98	I	87.1	Confident	77.9	Confident	10 Å²	10	65 Å²	65	5%	0.051	35%	0.348	C	S	.	.			trans	-62.3	133.5	170.8	-53.6	176.9	0	0	0	107.9	M148 E149 V151 F205 L251 N253 F255	I98-M148 HydrophobicContact CG2-CB 4.26Å; I98-E149 WeakPolarHBondContact CG2-O 3.27Å; I98-V151 HydrophobicContact CG2-CG2 4Å; I98-F205 HydrophobicContact CD1-CE2 4.35Å; I98-L251 HydrophobicContact CD1-CB 3.95Å; I98-L251 HydrophobicContact CD1-CD1 3.91Å; I98-L251 HydrophobicContact CG1-CB 3.91Å; I98-L251 HydrophobicContact CG1-CD1 3.88Å; I98-N253 WeakPolarHBondContact CB-ND2 3.05Å; I98-N253 WeakPolarHBondContact CG2-ND2 3.44Å; I98-F255 HydrophobicContact CD1-CZ 4.38Å
99	V	89	Confident	77.5	Confident	39 Å²	39	67.2 Å²	67.2	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.9	-179.1	175.3	0	0	0	0	108.7	N97 G101 I121 E149	N97-V99 PolarHBondContact O-N 3.35Å; V99-G101 PolarHBondContact O-N 3.45Å; V99-I121 HydrophobicContact CG1-CG2 4.43Å; V99-E149 HydrophobicContact CB-CB 4.44Å; V99-E149 PolarHBondContact N-O 3.42Å; V99-E149 PolarHBondContact O-N 3.45Å
100	Q	89.7	Confident	77.1	Confident	95 Å²	95	72 Å²	72	44%	0.444	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	115.2	167.8	-169.5	66.3	23.4	0	0	108.4
101	G	87.5	Confident	77.4	Confident	5 Å²	5	72.4 Å²	72.4	5%	0.052	39%	0.393	C	S	.	.			trans	-78.8	179.8	-179.1	0	0	0	0	0	112.8	V99 S103 V147 E149	V99-G101 PolarHBondContact O-N 3.45Å; G101-S103 PolarHBondContact O-N 3.27Å; G101-V147 WeakPolarHBondContact CA-O 2.94Å; G101-V147 PolarHBondContact N-O 3.15Å; G101-E149 WeakPolarHBondContact CA-OE1 3.32Å
102	A	86.1	Confident	78.3	Confident	29 Å²	29	65 Å²	65	24%	0.24	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-66.2	132	178.4	0	0	0	0	0	110.5	D119 I121	A102-D119 WeakPolarHBondContact CB-O 3.49Å; A102-I121 HydrophobicContact CB-CD1 3.96Å; A102-I121 HydrophobicContact CB-CG1 4.09Å; A102-I121 VanDerWaalsContact N-CD1 3.27Å
103	S	87.1	Confident	79.3	Confident	73 Å²	73	65 Å²	65	51%	0.51	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-89.9	126.4	171.6	-56.1	0	0	0	0	109.2	G101 L145	G101-S103 PolarHBondContact O-N 3.27Å; S103-L145 CarbonylContact C-O 3.59Å; S103-L145 WeakPolarHBondContact CA-O 3.42Å
104	K	87.4	Confident	80.6	Confident	42 Å²	42	63.5 Å²	63.5	18%	0.183	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-96.2	125	175.4	-73.8	-170.3	158.9	-179.7	0	110	I112 I113 D119 S144 L145	K104-I112 HydrophobicContact CB-CG2 4.45Å; K104-I112 HydrophobicContact CD-CG2 4.39Å; K104-I113 WeakPolarHBondContact CD-O 3.4Å; K104-I113 PolarHBondContact NZ-O 3.27Å; K104-D119 WeakPolarHBondContact CE-OD1 3.31Å; K104-D119 WeakPolarHBondContact CE-OD2 3.23Å; K104-D119 IonicContact NZ-OD1 3.68Å; K104-D119 PolarHBondContact NZ-OD1 3.37Å; K104-D119 IonicContact NZ-OD2 3.92Å; K104-D119 PolarHBondContact NZ-OD2 2.84Å; K104-S144 CarbonylContact O-C 3.59Å; K104-S144 WeakPolarHBondContact O-CA 3.03Å; K104-S144 PolarHBondContact O-OG 3.44Å; K104-S144 VanDerWaalsContact O-OG 3.05Å; K104-L145 HydrophobicContact CB-CB 4.26Å; K104-L145 PolarHBondContact N-O 3.25Å; K104-L145 PolarHBondContact O-N 3.19Å
105	S	84.5	Confident	82.4	Confident	89 Å²	89	59 Å²	59	62%	0.622	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-64.8	156.8	170.3	56.9	0	0	0	0	110.8	Q107	S105-Q107 PolarHBondContact O-N 3.03Å
106	C	78.9	Confident	83.7	Confident	33 Å²	33	51.5 Å²	51.5	22%	0.223	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-58.7	128.4	177.1	171.8	0	0	0	0	111.4	C142 Y143 V167	C106-C142 HydrophobicContact CB-CB 4.32Å; C106-C142 WeakPolarHBondContact CB-SG 3.32Å; C106-C142 WeakPolarHBondContact SG-CA 3.19Å; C106-C142 WeakPolarHBondContact SG-CB 3.23Å; C106-C142 CovalentContact SG-SG 2.01Å; C106-C142 PolarHBondContact SG-SG 2.82Å; C106-Y143 WeakPolarHBondContact CA-O 3.42Å; C106-Y143 WeakPolarHBondContact CB-O 3.36Å; C106-V167 HydrophobicContact CB-CB 4.41Å; C106-V167 HydrophobicContact CB-CG2 4.29Å
107	Q	70.5	Confident	84.6	Confident	87 Å²	87	57.1 Å²	57.1	41%	0.407	31%	0.309	S	S	.	.			trans	-106.5	139.7	169.2	-61.7	-174.3	2.5	0	0	108.4	S105 K109	S105-Q107 PolarHBondContact O-N 3.03Å; Q107-K109 HydrophobicContact CB-CB 4.47Å; Q107-K109 PolarHBondContact O-N 3.27Å
108	L	65.1	Low	85	Confident	174 Å²	174	61.1 Å²	61.1	91%	0.911	34%	0.335	S	S	*	.	S	Bend	trans	-65.2	9.8	173.9	-80.1	147.5	0	0	0	114.1
109	K	68.1	Low	85.3	Confident	142 Å²	142	62.2 Å²	62.2	62%	0.617	34%	0.34	S	S	*	.	S	Bend	trans	-78.6	152.8	174.5	-71.5	-177.5	-180	176.1	0	109.5	Q107 G111	Q107-K109 HydrophobicContact CB-CB 4.47Å; Q107-K109 PolarHBondContact O-N 3.27Å; K109-G111 PolarHBondContact O-N 3.28Å
110	P	72.5	Confident	85.5	Confident	100 Å²	100	61.6 Å²	61.6	65%	0.649	34%	0.339	S	S	*	.	S	Bend	trans	-66	2.1	-179	28.1	-36.5	0	0	0	114.5	R136	P110-R136 WeakPolarHBondContact O-CG 3.38Å
111	G	83	Confident	85.6	Confident	13 Å²	13	62 Å²	62	13%	0.134	34%	0.343	C	S	.	.	S	Bend	trans	-164.6	159.1	176.5	0	0	0	0	0	112.6	K109 F135	K109-G111 PolarHBondContact O-N 3.28Å; G111-F135 CarbonylContact C-O 3.49Å; G111-F135 WeakPolarHBondContact CA-O 3.45Å
112	I	89.7	Confident	85.7	Confident	13 Å²	13	62 Å²	62	7%	0.067	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.3	176.3	-57.7	162.6	0	0	0	107.6	K104 T134 F135 Y143 L145 L164	K104-I112 HydrophobicContact CB-CG2 4.45Å; K104-I112 HydrophobicContact CD-CG2 4.39Å; I112-T134 WeakPolarHBondContact O-CA 2.98Å; I112-F135 PolarHBondContact N-O 2.77Å; I112-F135 PolarHBondContact O-N 3.42Å; I112-Y143 WeakPolarHBondContact CD1-O 3.37Å; I112-L145 HydrophobicContact CG2-CB 3.93Å; I112-L145 HydrophobicContact CG2-CD2 3.93Å; I112-L164 HydrophobicContact CD1-CD2 3.75Å
113	I	92.1	Very high	85.8	Confident	74 Å²	74	66.3 Å²	66.3	38%	0.379	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.8	-179.5	-56.3	173.9	0	0	0	108	K104 Q132 V133 T134	K104-I113 WeakPolarHBondContact CD-O 3.4Å; K104-I113 PolarHBondContact NZ-O 3.27Å; I113-Q132 HydrophobicContact CG2-CG 3.48Å; I113-Q132 VanDerWaalsContact CG2-CG 3.48Å; I113-V133 CarbonylContact C-O 3.5Å; I113-V133 WeakPolarHBondContact CA-O 3.49Å; I113-T134 HydrophobicContact CG1-CG2 3.96Å
114	W	94.1	Very high	85.8	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.9	169.4	-178.3	92.9	0	0	0	109.1	D119 A120 Y125 F131 Q132 V133 L145 V147 T160 F162	W114-D119 WeakPolarHBondContact CA-OD2 3.46Å; W114-D119 HydrophobicContact CG-CB 4.18Å; W114-A120 HydrophobicContact CH2-CB 4.13Å; W114-A120 HydrophobicContact CZ2-CB 3.76Å; W114-Y125 HydrophobicContact CH2-CE1 4.41Å; W114-Y125 HydrophobicContact CH2-CE2 4.42Å; W114-F131 HydrophobicContact CE3-CZ 4.38Å; W114-F131 HydrophobicContact CH2-CE1 4.09Å; W114-F131 HydrophobicContact CH2-CZ 4.18Å; W114-F131 HydrophobicContact CZ3-CD1 4.34Å; W114-F131 AromaticContact CZ3-CE1 3.6Å; W114-F131 HydrophobicContact CZ3-CE1 3.6Å; W114-F131 HydrophobicContact CZ3-CE2 4.08Å; W114-F131 AromaticContact CZ3-CZ 3.47Å; W114-F131 HydrophobicContact CZ3-CZ 3.47Å; W114-F131 VanDerWaalsContact CZ3-CZ 3.47Å; W114-Q132 CarbonylContact O-C 3.52Å; W114-Q132 VanDerWaalsContact O-CA 3.3Å; W114-Q132 WeakPolarHBondContact O-CA 3.5Å; W114-Q132 WeakPolarHBondContact O-CG 3.4Å; W114-V133 PolarHBondContact N-O 2.83Å; W114-V133 PolarHBondContact O-N 2.82Å; W114-L145 HydrophobicContact CB-CD2 3.79Å; W114-L145 HydrophobicContact CG-CD2 4.36Å; W114-V147 HydrophobicContact CG-CG2 4.47Å; W114-V147 HydrophobicContact CZ2-CG1 4.37Å; W114-T160 HydrophobicContact CH2-CG2 4.25Å; W114-F162 HydrophobicContact CB-CE1 4.16Å; W114-F162 AromaticContact CD2-CE1 3.63Å; W114-F162 HydrophobicContact CD2-CE1 3.63Å; W114-F162 HydrophobicContact CD2-CZ 4.11Å; W114-F162 AromaticContact CE3-CE1 3.64Å; W114-F162 HydrophobicContact CE3-CE1 3.64Å; W114-F162 AromaticContact CE3-CZ 3.63Å; W114-F162 HydrophobicContact CE3-CZ 3.63Å; W114-F162 AromaticContact CG-CE1 3.88Å; W114-F162 HydrophobicContact CG-CE1 3.88Å; W114-F162 HydrophobicContact CZ3-CE1 4.25Å; W114-F162 AromaticContact CZ3-CZ 3.87Å; W114-F162 HydrophobicContact CZ3-CZ 3.87Å
115	D	93.8	Very high	86	Confident	18 Å²	18	61 Å²	61	10%	0.096	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.8	-179.3	-167.1	-37.1	0	0	0	109.7	R117 V118 D119 Q132 T185	D115-R117 PolarHBondContact O-N 3.13Å; D115-R117 VanDerWaalsContact O-N 3.07Å; D115-R117 WeakPolarHBondContact OD1-CB 3.41Å; D115-R117 PolarHBondContact OD1-N 2.85Å; D115-V118 HydrophobicContact CB-CG2 4.45Å; D115-V118 PolarHBondContact O-N 3.2Å; D115-V118 VanDerWaalsContact O-N 3.12Å; D115-D119 PolarHBondContact N-OD2 2.7Å; D115-D119 WeakPolarHBondContact O-CB 3.42Å; D115-D119 PolarHBondContact O-N 2.84Å; D115-Q132 HydrophobicContact CB-CB 4.43Å; D115-Q132 HydrophobicContact CB-CG 4.05Å; D115-Q132 PolarHBondContact OD2-NE2 2.88Å; D115-T185 PolarHBondContact OD1-OG1 2.88Å
116	S	94.5	Very high	86.2	Confident	2 Å²	2	62 Å²	62	1%	0.014	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.7	-176.8	77.7	0	0	0	0	113.9	A120 H130 F131	S116-A120 VanDerWaalsContact O-CB 3.23Å; S116-A120 WeakPolarHBondContact O-CB 3.47Å; S116-H130 PolarHBondContact O-ND1 3Å; S116-H130 WeakPolarHBondContact OG-CA 3.29Å; S116-H130 WeakPolarHBondContact OG-CB 3.5Å; S116-H130 PolarHBondContact OG-ND1 2.77Å; S116-H130 VanDerWaalsContact OG-ND1 3.17Å; S116-F131 PolarHBondContact N-O 2.85Å; S116-F131 PolarHBondContact OG-N 2.85Å; S116-F131 PolarHBondContact OG-O 2.87Å
117	R	92.5	Very high	86.7	Confident	132 Å²	132	63.4 Å²	63.4	50%	0.498	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-30.6	175.2	-173.6	176.8	-70.5	168.3	-0.2	112.9	D115 H130	D115-R117 PolarHBondContact O-N 3.13Å; D115-R117 VanDerWaalsContact O-N 3.07Å; D115-R117 WeakPolarHBondContact OD1-CB 3.41Å; D115-R117 PolarHBondContact OD1-N 2.85Å; R117-H130 WeakPolarHBondContact CA-ND1 3.2Å; R117-H130 HydrophobicContact CB-CB 4.4Å; R117-H130 PolarHBondContact N-ND1 3.41Å
118	V	92.3	Very high	87.6	Confident	114 Å²	114	60.2 Å²	60.2	69%	0.691	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-36.8	-169	-159.1	0	0	0	0	111.8	D115	D115-V118 HydrophobicContact CB-CG2 4.45Å; D115-V118 PolarHBondContact O-N 3.2Å; D115-V118 VanDerWaalsContact O-N 3.12Å
119	D	93.2	Very high	88.9	Confident	33 Å²	33	54.6 Å²	54.6	18%	0.176	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-15.8	-171.3	-55.5	-55.3	0	0	0	113.6	A102 K104 W114 D115	A102-D119 WeakPolarHBondContact CB-O 3.49Å; K104-D119 WeakPolarHBondContact CE-OD1 3.31Å; K104-D119 WeakPolarHBondContact CE-OD2 3.23Å; K104-D119 IonicContact NZ-OD1 3.68Å; K104-D119 PolarHBondContact NZ-OD1 3.37Å; K104-D119 IonicContact NZ-OD2 3.92Å; K104-D119 PolarHBondContact NZ-OD2 2.84Å; W114-D119 WeakPolarHBondContact CA-OD2 3.46Å; W114-D119 HydrophobicContact CG-CB 4.18Å; D115-D119 PolarHBondContact N-OD2 2.7Å; D115-D119 WeakPolarHBondContact O-CB 3.42Å; D115-D119 PolarHBondContact O-N 2.84Å
120	A	92.7	Very high	90.1	Very high	26 Å²	26	49 Å²	49	22%	0.215	25%	0.254	C	S	.	.			trans	-73.2	135	-178.7	0	0	0	0	0	111.9	W114 S116 Y125 E149	W114-A120 HydrophobicContact CH2-CB 4.13Å; W114-A120 HydrophobicContact CZ2-CB 3.76Å; S116-A120 VanDerWaalsContact O-CB 3.23Å; S116-A120 WeakPolarHBondContact O-CB 3.47Å; A120-Y125 HydrophobicContact CB-CD2 3.42Å; A120-Y125 VanDerWaalsContact CB-CD2 3.42Å; A120-Y125 HydrophobicContact CB-CE2 3.96Å; A120-Y125 HydrophobicContact CB-CG 4.02Å; A120-E149 WeakPolarHBondContact CA-OE1 3.29Å
121	I	91.6	Very high	91.2	Very high	102 Å²	102	44.3 Å²	44.3	52%	0.523	22%	0.224	S	C	.	.			trans	-90.3	-33.9	177.4	-61.5	-175.6	0	0	0	110.8	V99 A102 K123 E149	V99-I121 HydrophobicContact CG1-CG2 4.43Å; A102-I121 HydrophobicContact CB-CD1 3.96Å; A102-I121 HydrophobicContact CB-CG1 4.09Å; A102-I121 VanDerWaalsContact N-CD1 3.27Å; I121-K123 PolarHBondContact O-N 3.43Å; I121-E149 PolarHBondContact N-OE1 2.86Å; I121-E149 PolarHBondContact N-OE2 2.89Å
122	S	89.4	Confident	91.7	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.049	22%	0.222	C	C	.	.	S	Bend	trans	-70.7	128.9	-177.7	-177.5	0	0	0	0	111.6	F124 Y125 E149 Q150	S122-F124 PolarHBondContact O-N 2.82Å; S122-F124 WeakPolarHBondContact OG-CB 3.44Å; S122-F124 PolarHBondContact OG-N 2.66Å; S122-F124 VanDerWaalsContact OG-N 3.09Å; S122-Y125 WeakPolarHBondContact O-CD2 3.32Å; S122-Y125 PolarHBondContact O-N 2.02Å; S122-E149 WeakPolarHBondContact CA-OE2 3.35Å; S122-E149 WeakPolarHBondContact CB-OE2 3.34Å; S122-E149 PolarHBondContact N-OE2 3.16Å; S122-Q150 PolarHBondContact OG-NE2 2.89Å
123	K	88.2	Confident	92	Very high	119 Å²	119	44.1 Å²	44.1	52%	0.517	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-58.5	-15.3	169.4	-63.8	-176.4	179.6	-177.8	0	113	Y89 I121 Y125 N126 Y127	Y89-K123 HydrophobicContact CE2-CB 4.3Å; I121-K123 PolarHBondContact O-N 3.43Å; K123-Y125 PolarHBondContact O-N 2.78Å; K123-N126 WeakPolarHBondContact O-CB 3.42Å; K123-N126 PolarHBondContact O-N 3.19Å; K123-Y127 VanDerWaalsContact O-CD2 3.29Å; K123-Y127 WeakPolarHBondContact O-CD2 2.88Å
124	F	88.6	Confident	92.1	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-52.6	-42.8	176.2	173.5	-105.2	0	0	0	112.3	H80 L85 Y89 S122 N126 Y127 T128 Q150 I158	H80-F124 HydrophobicContact CB-CE1 4.07Å; H80-F124 HydrophobicContact CB-CZ 3.9Å; H80-F124 AromaticContact CG-CE1 3.95Å; L85-F124 HydrophobicContact CD1-CD2 3.92Å; L85-F124 HydrophobicContact CD1-CE2 3.7Å; L85-F124 HydrophobicContact CD2-CD2 4.12Å; L85-F124 HydrophobicContact CD2-CE2 3.92Å; L85-F124 HydrophobicContact CG-CE2 4.43Å; Y89-F124 HydrophobicContact CE1-CD2 4.22Å; Y89-F124 VanDerWaalsContact CE2-CA 3.45Å; Y89-F124 HydrophobicContact CE2-CB 4.09Å; S122-F124 PolarHBondContact O-N 2.82Å; S122-F124 WeakPolarHBondContact OG-CB 3.44Å; S122-F124 PolarHBondContact OG-N 2.66Å; S122-F124 VanDerWaalsContact OG-N 3.09Å; F124-N126 VanDerWaalsContact C-N 3.26Å; F124-N126 PolarHBondContact O-N 2.94Å; F124-Y127 PolarHBondContact O-N 2.8Å; F124-Y127 VanDerWaalsContact O-N 3.17Å; F124-T128 HydrophobicContact CD2-CG2 4.42Å; F124-T128 HydrophobicContact CE1-CG2 4.13Å; F124-T128 HydrophobicContact CE2-CG2 3.85Å; F124-T128 HydrophobicContact CZ-CG2 3.69Å; F124-T128 PolarHBondContact O-OG1 2.93Å; F124-Q150 HydrophobicContact CB-CG 3.92Å; F124-Q150 HydrophobicContact CD1-CG 4.43Å; F124-Q150 HydrophobicContact CG-CG 4.15Å; F124-I158 HydrophobicContact CD1-CG2 4.37Å; F124-I158 HydrophobicContact CD2-CD1 4.11Å; F124-I158 HydrophobicContact CE1-CB 4.24Å; F124-I158 HydrophobicContact CE1-CG2 3.87Å; F124-I158 HydrophobicContact CE2-CB 4.29Å; F124-I158 HydrophobicContact CE2-CD1 3.42Å; F124-I158 VanDerWaalsContact CE2-CD1 3.42Å; F124-I158 HydrophobicContact CE2-CG1 4.44Å; F124-I158 HydrophobicContact CE2-CG2 4.32Å; F124-I158 HydrophobicContact CZ-CB 3.77Å; F124-I158 HydrophobicContact CZ-CD1 3.82Å; F124-I158 HydrophobicContact CZ-CG1 4.38Å; F124-I158 HydrophobicContact CZ-CG2 3.84Å
125	Y	90.9	Very high	92.1	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-71.3	-20.3	-175.6	-58	-77.2	0	0	0	113.1	W114 A120 S122 K123 Y127 T128 H130 F131 E149 T160	W114-Y125 HydrophobicContact CH2-CE1 4.41Å; W114-Y125 HydrophobicContact CH2-CE2 4.42Å; A120-Y125 HydrophobicContact CB-CD2 3.42Å; A120-Y125 VanDerWaalsContact CB-CD2 3.42Å; A120-Y125 HydrophobicContact CB-CE2 3.96Å; A120-Y125 HydrophobicContact CB-CG 4.02Å; S122-Y125 WeakPolarHBondContact O-CD2 3.32Å; S122-Y125 PolarHBondContact O-N 2.02Å; K123-Y125 PolarHBondContact O-N 2.78Å; Y125-Y127 PolarHBondContact O-N 3.38Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.46Å; Y125-T128 PolarHBondContact O-N 2.84Å; Y125-T128 VanDerWaalsContact O-O 3.06Å; Y125-H130 PolarHBondContact O-CE1 2.89Å; Y125-H130 PolarHBondContact O-NE2 3.17Å; Y125-F131 HydrophobicContact CD1-CE1 4.25Å; Y125-F131 AromaticContact CE1-CE1 3.84Å; Y125-F131 HydrophobicContact CE1-CE1 3.84Å; Y125-E149 HydrophobicContact CE2-CB 3.98Å; Y125-E149 HydrophobicContact CE2-CG 3.91Å; Y125-E149 WeakPolarHBondContact CE2-OE2 3.22Å; Y125-T160 PolarHBondContact OH-OG1 3.36Å
126	N	89.5	Confident	92	Very high	110 Å²	110	47 Å²	47	59%	0.588	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-70.4	-19.7	174.3	-64.4	-7.5	0	0	0	113.2	K123 F124	K123-N126 WeakPolarHBondContact O-CB 3.42Å; K123-N126 PolarHBondContact O-N 3.19Å; F124-N126 VanDerWaalsContact C-N 3.26Å; F124-N126 PolarHBondContact O-N 2.94Å
127	Y	88.6	Confident	91.7	Very high	62 Å²	62	47.3 Å²	47.3	24%	0.243	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-109.1	10.8	-179.6	-61.7	-85	0	0	0	112.5	H86 E88 Y89 K123 F124 Y125	H86-Y127 HydrophobicContact CB-CD1 4.02Å; E88-Y127 HydrophobicContact CB-CE1 3.99Å; E88-Y127 HydrophobicContact CG-CE1 4.22Å; Y89-Y127 AromaticContact CD2-CD2 3.41Å; Y89-Y127 HydrophobicContact CD2-CD2 3.41Å; Y89-Y127 VanDerWaalsContact CD2-CD2 3.41Å; Y89-Y127 AromaticContact CD2-CE2 3.75Å; Y89-Y127 HydrophobicContact CD2-CE2 3.75Å; Y89-Y127 HydrophobicContact CD2-CG 4.24Å; Y89-Y127 HydrophobicContact CE2-CD2 4.39Å; Y89-Y127 HydrophobicContact CG-CD2 4.05Å; Y89-Y127 HydrophobicContact CG-CG 4.48Å; K123-Y127 VanDerWaalsContact O-CD2 3.29Å; K123-Y127 WeakPolarHBondContact O-CD2 2.88Å; F124-Y127 PolarHBondContact O-N 2.8Å; F124-Y127 VanDerWaalsContact O-N 3.17Å; Y125-Y127 PolarHBondContact O-N 3.38Å
128	T	89.3	Confident	91.5	Very high	21 Å²	21	45.6 Å²	45.6	13%	0.129	22%	0.224	C	C	.	.	S	Bend	trans	-135.4	174.5	178.4	59.1	0	0	0	0	110.6	L85 F124 Y125	L85-T128 HydrophobicContact CD1-CG2 3.34Å; F124-T128 HydrophobicContact CD2-CG2 4.42Å; F124-T128 HydrophobicContact CE1-CG2 4.13Å; F124-T128 HydrophobicContact CE2-CG2 3.85Å; F124-T128 HydrophobicContact CZ-CG2 3.69Å; F124-T128 PolarHBondContact O-OG1 2.93Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.46Å; Y125-T128 PolarHBondContact O-N 2.84Å; Y125-T128 VanDerWaalsContact O-O 3.06Å
129	K	91.3	Very high	91.1	Very high	56 Å²	56	42 Å²	42	24%	0.243	20%	0.203	C	C	.	.			trans	-69.8	136	176.3	-66	-164.7	176.1	-169	0	111	E79 H80 Q189	E79-K129 HydrophobicContact CB-CB 4.11Å; E79-K129 HydrophobicContact CB-CD 4.45Å; E79-K129 HydrophobicContact CB-CG 4.42Å; E79-K129 HydrophobicContact CG-CB 4.06Å; E79-K129 HydrophobicContact CG-CD 3.7Å; E79-K129 HydrophobicContact CG-CG 4.18Å; H80-K129 PolarHBondContact NE2-O 3.35Å; K129-Q189 VanDerWaalsContact CE-OE1 3.3Å
130	H	94.3	Very high	90.7	Very high	25 Å²	25	44.8 Å²	44.8	12%	0.116	22%	0.223	C	C	.	.			trans	-79.1	145.6	176.8	-67	-80	0	0	0	112.1	S116 R117 Y125 T185	S116-H130 PolarHBondContact O-ND1 3Å; S116-H130 WeakPolarHBondContact OG-CA 3.29Å; S116-H130 WeakPolarHBondContact OG-CB 3.5Å; S116-H130 PolarHBondContact OG-ND1 2.77Å; S116-H130 VanDerWaalsContact OG-ND1 3.17Å; R117-H130 WeakPolarHBondContact CA-ND1 3.2Å; R117-H130 HydrophobicContact CB-CB 4.4Å; R117-H130 PolarHBondContact N-ND1 3.41Å; Y125-H130 PolarHBondContact O-CE1 2.89Å; Y125-H130 PolarHBondContact O-NE2 3.17Å; H130-T185 PolarHBondContact O-N 3.45Å
131	F	95.3	Very high	90.1	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.9	179.3	77.4	-69.9	0	0	0	110.2	I75 L77 H80 W114 S116 Y125 V133 F162 V182 R183 L184 T185	I75-F131 HydrophobicContact CG2-CE2 4.45Å; L77-F131 HydrophobicContact CD1-CB 3.64Å; L77-F131 HydrophobicContact CD1-CD1 3.88Å; L77-F131 HydrophobicContact CD1-CD2 3.83Å; L77-F131 HydrophobicContact CD1-CE1 4.49Å; L77-F131 HydrophobicContact CD1-CE2 4.4Å; L77-F131 HydrophobicContact CD1-CG 3.51Å; H80-F131 AromaticContact CE1-CD1 3.51Å; H80-F131 AromaticContact CE1-CE1 3.44Å; H80-F131 VanDerWaalsContact CE1-CE1 3.44Å; H80-F131 WeakPolarHBondContact CE1-CE1 3.47Å; W114-F131 HydrophobicContact CE3-CZ 4.38Å; W114-F131 HydrophobicContact CH2-CE1 4.09Å; W114-F131 HydrophobicContact CH2-CZ 4.18Å; W114-F131 HydrophobicContact CZ3-CD1 4.34Å; W114-F131 AromaticContact CZ3-CE1 3.6Å; W114-F131 HydrophobicContact CZ3-CE1 3.6Å; W114-F131 HydrophobicContact CZ3-CE2 4.08Å; W114-F131 AromaticContact CZ3-CZ 3.47Å; W114-F131 HydrophobicContact CZ3-CZ 3.47Å; W114-F131 VanDerWaalsContact CZ3-CZ 3.47Å; S116-F131 PolarHBondContact N-O 2.85Å; S116-F131 PolarHBondContact OG-N 2.85Å; S116-F131 PolarHBondContact OG-O 2.87Å; Y125-F131 HydrophobicContact CD1-CE1 4.25Å; Y125-F131 AromaticContact CE1-CE1 3.84Å; Y125-F131 HydrophobicContact CE1-CE1 3.84Å; F131-V133 HydrophobicContact CD2-CG2 3.62Å; F131-V133 HydrophobicContact CE2-CG2 3.32Å; F131-V133 HydrophobicContact CZ-CG2 4.43Å; F131-F162 HydrophobicContact CE2-CE2 4.47Å; F131-F162 HydrophobicContact CE2-CZ 4.29Å; F131-F162 HydrophobicContact CZ-CZ 4.23Å; F131-V182 HydrophobicContact CD2-CG1 4.03Å; F131-R183 CarbonylContact C-O 3.59Å; F131-R183 VanDerWaalsContact CA-O 3.31Å; F131-R183 WeakPolarHBondContact CA-O 3.36Å; F131-R183 WeakPolarHBondContact CB-O 3.15Å; F131-L184 HydrophobicContact CB-CD2 4.32Å; F131-T185 VanDerWaalsContact C-OG1 3.26Å; F131-T185 WeakPolarHBondContact CA-OG1 3.2Å; F131-T185 PolarHBondContact N-OG1 2.78Å
132	Q	94.9	Very high	89.8	Confident	22 Å²	22	40.9 Å²	40.9	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139	178.8	-171.3	-178.1	86.8	0	0	109.8	I113 W114 D115 R183	I113-Q132 HydrophobicContact CG2-CG 3.48Å; I113-Q132 VanDerWaalsContact CG2-CG 3.48Å; W114-Q132 CarbonylContact O-C 3.52Å; W114-Q132 VanDerWaalsContact O-CA 3.3Å; W114-Q132 WeakPolarHBondContact O-CA 3.5Å; W114-Q132 WeakPolarHBondContact O-CG 3.4Å; D115-Q132 HydrophobicContact CB-CB 4.43Å; D115-Q132 HydrophobicContact CB-CG 4.05Å; D115-Q132 PolarHBondContact OD2-NE2 2.88Å; Q132-R183 HydrophobicContact CB-CG 4.02Å; Q132-R183 PolarHBondContact N-O 3.49Å; Q132-R183 PolarHBondContact O-N 3.28Å
133	V	95.4	Very high	89.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	176.9	-170.2	0	0	0	0	109.5	I75 I113 W114 F131 F135 F162 T180 D181 V182	I75-V133 HydrophobicContact CD1-CB 4.46Å; I75-V133 HydrophobicContact CD1-CG1 3.85Å; I75-V133 HydrophobicContact CD1-CG2 3.7Å; I113-V133 CarbonylContact C-O 3.5Å; I113-V133 WeakPolarHBondContact CA-O 3.49Å; W114-V133 PolarHBondContact N-O 2.83Å; W114-V133 PolarHBondContact O-N 2.82Å; F131-V133 HydrophobicContact CD2-CG2 3.62Å; F131-V133 HydrophobicContact CE2-CG2 3.32Å; F131-V133 HydrophobicContact CZ-CG2 4.43Å; V133-F135 HydrophobicContact CB-CE2 4.18Å; V133-F135 HydrophobicContact CB-CZ 4.34Å; V133-F135 HydrophobicContact CG1-CD1 4.42Å; V133-F135 HydrophobicContact CG1-CD2 4.18Å; V133-F135 HydrophobicContact CG1-CE1 3.82Å; V133-F135 HydrophobicContact CG1-CE2 3.52Å; V133-F135 HydrophobicContact CG1-CZ 3.32Å; V133-F162 HydrophobicContact CB-CZ 4.44Å; V133-F162 HydrophobicContact CG2-CE2 4.05Å; V133-F162 HydrophobicContact CG2-CZ 3.9Å; V133-T180 HydrophobicContact CG1-CG2 4.04Å; V133-D181 CarbonylContact C-O 3.59Å; V133-D181 VanDerWaalsContact CA-O 3.24Å; V133-D181 WeakPolarHBondContact CA-O 3.49Å; V133-V182 HydrophobicContact CG1-CG2 4.29Å; V133-V182 HydrophobicContact CG2-CG1 4.42Å; V133-V182 HydrophobicContact CG2-CG2 4.41Å
134	T	93.9	Very high	89.6	Confident	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.9	174.3	-55.9	0	0	0	0	109.8	I112 I113 R136 D181	I112-T134 WeakPolarHBondContact O-CA 2.98Å; I113-T134 HydrophobicContact CG1-CG2 3.96Å; T134-R136 HydrophobicContact CG2-CG 4.34Å; T134-D181 PolarHBondContact N-O 2.96Å; T134-D181 PolarHBondContact O-N 3.48Å
135	F	93.9	Very high	89.8	Confident	5 Å²	5	36 Å²	36	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134	176.6	-63.6	-70.7	0	0	0	111.1	V73 G111 I112 V133 L145 F162 L164 F178 H179 T180	V73-F135 HydrophobicContact CB-CE1 4.45Å; G111-F135 CarbonylContact C-O 3.49Å; G111-F135 WeakPolarHBondContact CA-O 3.45Å; I112-F135 PolarHBondContact N-O 2.77Å; I112-F135 PolarHBondContact O-N 3.42Å; V133-F135 HydrophobicContact CB-CE2 4.18Å; V133-F135 HydrophobicContact CB-CZ 4.34Å; V133-F135 HydrophobicContact CG1-CD1 4.42Å; V133-F135 HydrophobicContact CG1-CD2 4.18Å; V133-F135 HydrophobicContact CG1-CE1 3.82Å; V133-F135 HydrophobicContact CG1-CE2 3.52Å; V133-F135 HydrophobicContact CG1-CZ 3.32Å; F135-L145 HydrophobicContact CD2-CD1 4.1Å; F135-L145 HydrophobicContact CD2-CD2 4.49Å; F135-L145 HydrophobicContact CE2-CD1 3.97Å; F135-L145 HydrophobicContact CE2-CD2 4.45Å; F135-F162 HydrophobicContact CE1-CB 4.36Å; F135-F162 HydrophobicContact CE2-CB 3.69Å; F135-F162 AromaticContact CE2-CD1 3.75Å; F135-F162 HydrophobicContact CE2-CD1 3.75Å; F135-F162 HydrophobicContact CE2-CD2 4.4Å; F135-F162 HydrophobicContact CE2-CE1 4.5Å; F135-F162 AromaticContact CE2-CG 3.68Å; F135-F162 HydrophobicContact CE2-CG 3.68Å; F135-F162 HydrophobicContact CZ-CB 3.36Å; F135-F162 HydrophobicContact CZ-CD1 4.06Å; F135-F162 AromaticContact CZ-CD2 3.88Å; F135-F162 HydrophobicContact CZ-CD2 3.88Å; F135-F162 AromaticContact CZ-CG 3.49Å; F135-F162 HydrophobicContact CZ-CG 3.49Å; F135-F162 VanDerWaalsContact CZ-CG 3.49Å; F135-L164 HydrophobicContact CB-CD1 4.2Å; F135-F178 HydrophobicContact CB-CE2 4.15Å; F135-F178 HydrophobicContact CD1-CE1 4.45Å; F135-F178 AromaticContact CD1-CE2 3.79Å; F135-F178 HydrophobicContact CD1-CE2 3.79Å; F135-F178 AromaticContact CD1-CZ 3.41Å; F135-F178 HydrophobicContact CD1-CZ 3.41Å; F135-F178 VanDerWaalsContact CD1-CZ 3.41Å; F135-F178 AromaticContact CE1-CZ 3.91Å; F135-F178 HydrophobicContact CE1-CZ 3.91Å; F135-F178 HydrophobicContact CG-CE2 4.35Å; F135-F178 HydrophobicContact CG-CZ 4.32Å; F135-H179 WeakPolarHBondContact CA-O 3.45Å; F135-T180 HydrophobicContact CD1-CG2 4.1Å; F135-T180 HydrophobicContact CE1-CG2 3.57Å; F135-T180 HydrophobicContact CZ-CG2 4.39Å
136	R	90.9	Very high	90	Very high	136 Å²	136	38.2 Å²	38.2	51%	0.513	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.1	172.6	-49.4	-176.8	179.1	160.8	1.7	110.5	P110 T134 F178 H179	P110-R136 WeakPolarHBondContact O-CG 3.38Å; T134-R136 HydrophobicContact CG2-CG 4.34Å; R136-F178 WeakPolarHBondContact O-CD2 3.26Å; R136-H179 HydrophobicContact CB-CB 4.01Å; R136-H179 PolarHBondContact N-O 3.15Å; R136-H179 PolarHBondContact O-N 3.27Å
137	T	89	Confident	90.2	Very high	10 Å²	10	33 Å²	33	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.3	178.3	45.8	0	0	0	0	109.5	P70 P139 P140 G141 Y143 W175 I177 F178	P70-T137 HydrophobicContact CG-CG2 4.1Å; T137-P139 CarbonylContact C-O 3.57Å; T137-P139 CarbonylContact O-C 3.59Å; T137-P140 VanDerWaalsContact O-CA 3.28Å; T137-P140 WeakPolarHBondContact O-CA 3.48Å; T137-G141 PolarHBondContact OG1-N 3.19Å; T137-Y143 HydrophobicContact CG2-CD2 4.28Å; T137-Y143 HydrophobicContact CG2-CE2 3.73Å; T137-Y143 WeakPolarHBondContact OG1-CE2 3.4Å; T137-W175 HydrophobicContact CG2-CB 4.48Å; T137-I177 CarbonylContact C-O 3.42Å; T137-I177 WeakPolarHBondContact CA-O 3.48Å; T137-F178 HydrophobicContact CG2-CD2 3.79Å; T137-F178 HydrophobicContact CG2-CE2 4.49Å
138	E	87.5	Confident	90.5	Very high	95 Å²	95	31 Å²	31	44%	0.444	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123	171.6	-61.4	-178.8	-166.7	0	0	110.3	K176 I177 H179	E138-K176 PolarHBondContact O-N 2.88Å; E138-I177 HydrophobicContact CB-CB 4.11Å; E138-I177 PolarHBondContact N-O 3.05Å; E138-I177 PolarHBondContact O-N 2.86Å; E138-H179 IonicContact OE1-CD2 3.94Å; E138-H179 IonicContact OE1-CE1 2.88Å; E138-H179 IonicContact OE1-NE2 3.57Å; E138-H179 PolarHBondContact OE1-NE2 3.39Å
139	P	85.4	Confident	90.7	Very high	38 Å²	38	30 Å²	30	25%	0.247	16%	0.158	C	C	.	.	S	Bend	cis	-61.3	154.5	-5.9	28.4	-37.2	0	0	0	112.7	T137 G141 T172 F174	T137-P139 CarbonylContact C-O 3.57Å; T137-P139 CarbonylContact O-C 3.59Å; P139-G141 PolarHBondContact O-N 2.8Å; P139-T172 HydrophobicContact CB-CG2 4.23Å; P139-T172 HydrophobicContact CG-CG2 4.2Å; P139-F174 HydrophobicContact CG-CE2 4.08Å; P139-F174 HydrophobicContact CG-CZ 4.08Å; P139-F174 WeakPolarHBondContact CG-O 3.28Å
140	P	83.8	Confident	90.7	Very high	92 Å²	92	27.7 Å²	27.7	60%	0.597	15%	0.149	S	C	*	.			trans	-63.5	123.4	179.4	26.4	-34	0	0	0	110.3	T137	T137-P140 VanDerWaalsContact O-CA 3.28Å; T137-P140 WeakPolarHBondContact O-CA 3.48Å
141	G	80.6	Confident	90.6	Very high	24 Å²	24	26.5 Å²	26.5	25%	0.247	14%	0.143	C	C	.	.			trans	-120.9	166.4	177.2	0	0	0	0	0	113.1	T137 P139 Y143	T137-G141 PolarHBondContact OG1-N 3.19Å; P139-G141 PolarHBondContact O-N 2.8Å; G141-Y143 VanDerWaalsContact O-CD2 3.31Å; G141-Y143 WeakPolarHBondContact O-CD2 3.43Å
142	C	84.3	Confident	90.4	Very high	23 Å²	23	26.9 Å²	26.9	16%	0.155	15%	0.146	C	C	.	.			trans	-91.9	107.7	176.5	179.3	0	0	0	0	110.5	C106 V167 L170	C106-C142 HydrophobicContact CB-CB 4.32Å; C106-C142 WeakPolarHBondContact CB-SG 3.32Å; C106-C142 WeakPolarHBondContact SG-CA 3.19Å; C106-C142 WeakPolarHBondContact SG-CB 3.23Å; C106-C142 CovalentContact SG-SG 2.01Å; C106-C142 PolarHBondContact SG-SG 2.82Å; C142-V167 PolarHBondContact O-N 3.05Å; C142-L170 HydrophobicContact CB-CD1 3.7Å
143	Y	86.2	Confident	90.1	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.02	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.3	-178.9	-60.8	-86.9	0	0	0	110.8	P70 C106 I112 T137 G141 L164 V165 Q166	P70-Y143 HydrophobicContact CG-CD1 4.48Å; P70-Y143 HydrophobicContact CG-CE1 3.96Å; C106-Y143 WeakPolarHBondContact CA-O 3.42Å; C106-Y143 WeakPolarHBondContact CB-O 3.36Å; I112-Y143 WeakPolarHBondContact CD1-O 3.37Å; T137-Y143 HydrophobicContact CG2-CD2 4.28Å; T137-Y143 HydrophobicContact CG2-CE2 3.73Å; T137-Y143 WeakPolarHBondContact OG1-CE2 3.4Å; G141-Y143 VanDerWaalsContact O-CD2 3.31Å; G141-Y143 WeakPolarHBondContact O-CD2 3.43Å; Y143-L164 HydrophobicContact CD1-CB 4.14Å; Y143-L164 HydrophobicContact CG-CB 4.36Å; Y143-V165 CarbonylContact C-O 3.51Å; Y143-V165 WeakPolarHBondContact CA-O 3.21Å; Y143-Q166 HydrophobicContact CD1-CB 4.04Å; Y143-Q166 HydrophobicContact CE1-CB 3.94Å; Y143-Q166 HydrophobicContact CE1-CG 4.22Å
144	S	89	Confident	89.6	Confident	21 Å²	21	29.8 Å²	29.8	15%	0.147	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.8	163.7	-178.4	0	0	0	0	108.1	K104 L164 V165 V167	K104-S144 CarbonylContact O-C 3.59Å; K104-S144 WeakPolarHBondContact O-CA 3.03Å; K104-S144 PolarHBondContact O-OG 3.44Å; K104-S144 VanDerWaalsContact O-OG 3.05Å; S144-L164 CarbonylContact O-C 3.29Å; S144-L164 WeakPolarHBondContact O-CA 3.16Å; S144-V165 PolarHBondContact N-O 2.92Å; S144-V165 PolarHBondContact O-N 3.49Å; S144-V167 VanDerWaalsContact CB-CG2 3.49Å
145	L	92.5	Very high	89	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.3	178	177.7	69.5	0	0	0	109.6	S103 K104 I112 W114 F135 V147 F162 L164	S103-L145 CarbonylContact C-O 3.59Å; S103-L145 WeakPolarHBondContact CA-O 3.42Å; K104-L145 HydrophobicContact CB-CB 4.26Å; K104-L145 PolarHBondContact N-O 3.25Å; K104-L145 PolarHBondContact O-N 3.19Å; I112-L145 HydrophobicContact CG2-CB 3.93Å; I112-L145 HydrophobicContact CG2-CD2 3.93Å; W114-L145 HydrophobicContact CB-CD2 3.79Å; W114-L145 HydrophobicContact CG-CD2 4.36Å; F135-L145 HydrophobicContact CD2-CD1 4.1Å; F135-L145 HydrophobicContact CD2-CD2 4.49Å; F135-L145 HydrophobicContact CE2-CD1 3.97Å; F135-L145 HydrophobicContact CE2-CD2 4.45Å; L145-V147 HydrophobicContact CD2-CG2 3.96Å; L145-V147 HydrophobicContact CG-CG2 3.83Å; L145-F162 HydrophobicContact CD1-CB 4.02Å; L145-F162 HydrophobicContact CD1-CD1 4.14Å; L145-F162 HydrophobicContact CD2-CD1 4.3Å; L145-L164 HydrophobicContact CB-CD2 4.2Å; L145-L164 HydrophobicContact CD1-CD2 3.8Å
146	N	93.5	Very high	88.6	Confident	46 Å²	46	36.2 Å²	36.2	25%	0.246	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.2	169.3	-67.4	-4.5	0	0	0	108.7	Q163	N146-Q163 HydrophobicContact CB-CB 4.36Å; N146-Q163 PolarHBondContact N-O 2.99Å; N146-Q163 PolarHBondContact O-N 3.22Å
147	V	95.3	Very high	88.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.9	-176.2	-171.8	0	0	0	0	109.9	G101 W114 L145 E149 T160 T161 F162	G101-V147 WeakPolarHBondContact CA-O 2.94Å; G101-V147 PolarHBondContact N-O 3.15Å; W114-V147 HydrophobicContact CG-CG2 4.47Å; W114-V147 HydrophobicContact CZ2-CG1 4.37Å; L145-V147 HydrophobicContact CD2-CG2 3.96Å; L145-V147 HydrophobicContact CG-CG2 3.83Å; V147-E149 HydrophobicContact CG1-CG 3.99Å; V147-T160 HydrophobicContact CG1-CG2 3.6Å; V147-T161 CarbonylContact C-O 3.58Å; V147-T161 WeakPolarHBondContact CA-O 3.18Å; V147-F162 HydrophobicContact CG1-CD1 4.06Å; V147-F162 HydrophobicContact CG1-CE1 3.85Å; V147-F162 HydrophobicContact CG2-CD1 3.82Å; V147-F162 HydrophobicContact CG2-CE1 4.05Å
148	M	94.2	Very high	88.8	Confident	20 Å²	20	30 Å²	30	10%	0.099	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.5	165.4	-62.7	-179.8	-71.1	0	0	108.5	I98 V151 T160 T161 F255	I98-M148 HydrophobicContact CG2-CB 4.26Å; M148-V151 HydrophobicContact CB-CG2 3.94Å; M148-T160 WeakPolarHBondContact O-CA 3.48Å; M148-T161 HydrophobicContact CE-CG2 3.55Å; M148-T161 PolarHBondContact N-O 2.86Å; M148-T161 PolarHBondContact O-N 3.4Å; M148-F255 HydrophobicContact CE-CE1 4.05Å; M148-F255 HydrophobicContact SD-CE1 3.89Å; M148-F255 HydrophobicContact SD-CZ 4.21Å
149	E	93.4	Very high	89.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	153.5	-176.5	-62.7	175.7	-161.5	0	0	110.4	I98 V99 G101 A120 I121 S122 Y125 V147 T160	I98-E149 WeakPolarHBondContact CG2-O 3.27Å; V99-E149 HydrophobicContact CB-CB 4.44Å; V99-E149 PolarHBondContact N-O 3.42Å; V99-E149 PolarHBondContact O-N 3.45Å; G101-E149 WeakPolarHBondContact CA-OE1 3.32Å; A120-E149 WeakPolarHBondContact CA-OE1 3.29Å; I121-E149 PolarHBondContact N-OE1 2.86Å; I121-E149 PolarHBondContact N-OE2 2.89Å; S122-E149 WeakPolarHBondContact CA-OE2 3.35Å; S122-E149 WeakPolarHBondContact CB-OE2 3.34Å; S122-E149 PolarHBondContact N-OE2 3.16Å; Y125-E149 HydrophobicContact CE2-CB 3.98Å; Y125-E149 HydrophobicContact CE2-CG 3.91Å; Y125-E149 WeakPolarHBondContact CE2-OE2 3.22Å; V147-E149 HydrophobicContact CG1-CG 3.99Å; E149-T160 HydrophobicContact CG-CG2 4.29Å
150	Q	90.7	Very high	89.7	Confident	8 Å²	8	23.6 Å²	23.6	4%	0.037	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.6	38.1	-178.2	-58.9	179.2	86.9	0	0	115	Y89 S122 F124 P152 I158 C159 L284	Y89-Q150 PolarHBondContact OH-OE1 2.85Å; S122-Q150 PolarHBondContact OG-NE2 2.89Å; F124-Q150 HydrophobicContact CB-CG 3.92Å; F124-Q150 HydrophobicContact CD1-CG 4.43Å; F124-Q150 HydrophobicContact CG-CG 4.15Å; Q150-P152 WeakPolarHBondContact O-CD 3.44Å; Q150-I158 HydrophobicContact CB-CG2 4.15Å; Q150-I158 HydrophobicContact CG-CG2 4.35Å; Q150-C159 PolarHBondContact N-O 2.85Å; Q150-L284 VanDerWaalsContact OE1-CD1 3.31Å
151	V	93.1	Very high	90.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	116.6	175.5	-175.2	0	0	0	0	109	I98 M148 C159 F205 P206 F207	I98-V151 HydrophobicContact CG2-CG2 4Å; M148-V151 HydrophobicContact CB-CG2 3.94Å; V151-C159 HydrophobicContact CB-CB 4.44Å; V151-C159 PolarHBondContact N-O 2.86Å; V151-C159 WeakPolarHBondContact O-CA 3.31Å; V151-C159 WeakPolarHBondContact O-CB 3.4Å; V151-C159 PolarHBondContact O-N 2.88Å; V151-F205 HydrophobicContact CG1-CE2 4.38Å; V151-P206 HydrophobicContact CG1-CG 3.73Å; V151-F207 HydrophobicContact CG1-CE2 4.37Å; V151-F207 HydrophobicContact CG1-CZ 3.89Å
152	P	90.7	Very high	91	Very high	8 Å²	8	18.3 Å²	18.3	5%	0.052	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.2	-165.4	29.9	-33.8	0	0	0	113.1	Q150 P154 F207 L251 L281 L283	Q150-P152 WeakPolarHBondContact O-CD 3.44Å; P152-P154 WeakPolarHBondContact O-CD 3.37Å; P152-F207 WeakPolarHBondContact O-CE2 3.48Å; P152-F207 WeakPolarHBondContact O-CZ 3.43Å; P152-L251 HydrophobicContact CG-CD1 3.72Å; P152-L281 WeakPolarHBondContact CB-O 3.32Å; P152-L281 HydrophobicContact CG-CB 4.04Å; P152-L281 HydrophobicContact CG-CD2 4.3Å; P152-L281 WeakPolarHBondContact CG-O 3.35Å; P152-L283 HydrophobicContact CB-CD1 4.11Å; P152-L283 HydrophobicContact CB-CG 4.27Å
153	W	89.8	Confident	91.5	Very high	54 Å²	54	18 Å²	18	21%	0.205	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	105.1	172.8	178	-114.8	0	0	0	111.3	S157 C159 L196 F207 Y215	W153-S157 CarbonylContact C-O 3.57Å; W153-S157 PolarHBondContact N-O 3.41Å; W153-S157 WeakPolarHBondContact O-CA 3.5Å; W153-S157 WeakPolarHBondContact O-CB 3.38Å; W153-S157 PolarHBondContact O-N 2.7Å; W153-S157 VanDerWaalsContact O-O 3.07Å; W153-C159 WeakPolarHBondContact CB-SG 3.02Å; W153-L196 HydrophobicContact CD2-CD2 4.44Å; W153-L196 HydrophobicContact CZ2-CD2 4Å; W153-F207 HydrophobicContact CB-CE1 4.13Å; W153-F207 HydrophobicContact CB-CZ 3.98Å; W153-F207 HydrophobicContact CD2-CD1 4.24Å; W153-F207 HydrophobicContact CD2-CE1 4.02Å; W153-F207 HydrophobicContact CE3-CB 4.36Å; W153-F207 AromaticContact CE3-CD1 3.08Å; W153-F207 HydrophobicContact CE3-CD1 3.08Å; W153-F207 HydrophobicContact CE3-CD2 4.02Å; W153-F207 AromaticContact CE3-CE1 3.2Å; W153-F207 HydrophobicContact CE3-CE1 3.2Å; W153-F207 HydrophobicContact CE3-CE2 4.22Å; W153-F207 AromaticContact CE3-CG 3.54Å; W153-F207 HydrophobicContact CE3-CG 3.54Å; W153-F207 AromaticContact CE3-CZ 3.82Å; W153-F207 HydrophobicContact CE3-CZ 3.82Å; W153-F207 HydrophobicContact CG-CE1 4.44Å; W153-F207 HydrophobicContact CH2-CD1 4.43Å; W153-F207 HydrophobicContact CZ3-CB 3.86Å; W153-F207 AromaticContact CZ3-CD1 3.19Å; W153-F207 HydrophobicContact CZ3-CD1 3.19Å; W153-F207 HydrophobicContact CZ3-CD2 4.36Å; W153-F207 AromaticContact CZ3-CE1 3.84Å; W153-F207 HydrophobicContact CZ3-CE1 3.84Å; W153-F207 AromaticContact CZ3-CG 3.52Å; W153-F207 HydrophobicContact CZ3-CG 3.52Å; W153-Y215 HydrophobicContact CH2-CD1 4.32Å; W153-Y215 AromaticContact CH2-CE1 3.83Å; W153-Y215 HydrophobicContact CH2-CE1 3.83Å; W153-Y215 HydrophobicContact CZ3-CE1 4.33Å
154	P	83.2	Confident	91.7	Very high	30 Å²	30	18 Å²	18	20%	0.195	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	149.5	-179.7	-23.1	34.3	0	0	0	112.5	P152 W264 L281	P152-P154 WeakPolarHBondContact O-CD 3.37Å; P154-W264 HydrophobicContact CG-CH2 4.09Å; P154-W264 HydrophobicContact CG-CZ2 4.34Å; P154-L281 HydrophobicContact CG-CD2 4.04Å
155	P	81.4	Confident	91.6	Very high	111 Å²	111	19.6 Å²	19.6	72%	0.721	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.6	-11.6	9.1	34.5	-36.1	0	0	0	115.3	L283	P155-L283 WeakPolarHBondContact O-CD2 3.47Å
156	D	86.4	Confident	91	Very high	39 Å²	39	22 Å²	22	21%	0.209	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.2	6	-167.4	71.5	-20.9	0	0	0	115.2	Q81 T82	Q81-D156 CarbonylContact C-O 3.45Å; Q81-D156 VanDerWaalsContact CA-O 3.26Å; Q81-D156 WeakPolarHBondContact CA-O 3.28Å; T82-D156 WeakPolarHBondContact CG2-O 3.25Å; T82-D156 PolarHBondContact N-O 2.92Å; T82-D156 WeakPolarHBondContact OG1-CB 3.31Å; T82-D156 PolarHBondContact OG1-O 2.75Å
157	S	91.2	Very high	90.2	Very high	12 Å²	12	22.9 Å²	22.9	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	145.8	-174.2	-60.3	0	0	0	0	112	Q81 W153 L283	Q81-S157 WeakPolarHBondContact CG-OG 3.46Å; W153-S157 CarbonylContact C-O 3.57Å; W153-S157 PolarHBondContact N-O 3.41Å; W153-S157 WeakPolarHBondContact O-CA 3.5Å; W153-S157 WeakPolarHBondContact O-CB 3.38Å; W153-S157 PolarHBondContact O-N 2.7Å; W153-S157 VanDerWaalsContact O-O 3.07Å; S157-L283 VanDerWaalsContact O-CD1 3.28Å; S157-L283 WeakPolarHBondContact O-CD1 3.44Å
158	I	92.6	Very high	88.8	Confident	2 Å²	2	26 Å²	26	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.2	174.5	-65.1	169.5	0	0	0	107.8	H80 T82 F124 Q150 L284	H80-I158 VanDerWaalsContact CB-O 3.29Å; H80-I158 WeakPolarHBondContact CB-O 3.43Å; H80-I158 PolarHBondContact O-N 3.5Å; T82-I158 HydrophobicContact CG2-CD1 3.75Å; T82-I158 HydrophobicContact CG2-CG1 4.12Å; F124-I158 HydrophobicContact CD1-CG2 4.37Å; F124-I158 HydrophobicContact CD2-CD1 4.11Å; F124-I158 HydrophobicContact CE1-CB 4.24Å; F124-I158 HydrophobicContact CE1-CG2 3.87Å; F124-I158 HydrophobicContact CE2-CB 4.29Å; F124-I158 HydrophobicContact CE2-CD1 3.42Å; F124-I158 VanDerWaalsContact CE2-CD1 3.42Å; F124-I158 HydrophobicContact CE2-CG1 4.44Å; F124-I158 HydrophobicContact CE2-CG2 4.32Å; F124-I158 HydrophobicContact CZ-CB 3.77Å; F124-I158 HydrophobicContact CZ-CD1 3.82Å; F124-I158 HydrophobicContact CZ-CG1 4.38Å; F124-I158 HydrophobicContact CZ-CG2 3.84Å; Q150-I158 HydrophobicContact CB-CG2 4.15Å; Q150-I158 HydrophobicContact CG-CG2 4.35Å; I158-L284 HydrophobicContact CD1-CD1 4.04Å; I158-L284 HydrophobicContact CD1-CD2 3.45Å; I158-L284 VanDerWaalsContact CD1-CD2 3.45Å; I158-L284 HydrophobicContact CD1-CG 3.73Å
159	C	95.3	Very high	86.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	166.6	-170.7	-46.1	0	0	0	0	111.1	T74 I75 C76 Q150 V151 W153	T74-C159 HydrophobicContact CG2-CB 3.57Å; I75-C159 CarbonylContact O-C 3.49Å; I75-C159 WeakPolarHBondContact O-CA 3.48Å; I75-C159 VanDerWaalsContact O-CB 3.32Å; I75-C159 WeakPolarHBondContact O-CB 3.35Å; C76-C159 HydrophobicContact CB-CB 3.98Å; C76-C159 WeakPolarHBondContact CB-SG 3.43Å; C76-C159 WeakPolarHBondContact SG-CB 3.04Å; C76-C159 CovalentContact SG-SG 2.02Å; C76-C159 PolarHBondContact SG-SG 3.22Å; Q150-C159 PolarHBondContact N-O 2.85Å; V151-C159 HydrophobicContact CB-CB 4.44Å; V151-C159 PolarHBondContact N-O 2.86Å; V151-C159 WeakPolarHBondContact O-CA 3.31Å; V151-C159 WeakPolarHBondContact O-CB 3.4Å; V151-C159 PolarHBondContact O-N 2.88Å; W153-C159 WeakPolarHBondContact CB-SG 3.02Å
160	T	95.8	Very high	85	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126	175.9	-43.3	0	0	0	0	108.5	T74 I75 W114 Y125 V147 M148 E149 F162	T74-T160 CarbonylContact C-O 3.53Å; T74-T160 WeakPolarHBondContact CA-O 3.34Å; I75-T160 PolarHBondContact N-O 3.28Å; I75-T160 PolarHBondContact O-N 2.87Å; W114-T160 HydrophobicContact CH2-CG2 4.25Å; Y125-T160 PolarHBondContact OH-OG1 3.36Å; V147-T160 HydrophobicContact CG1-CG2 3.6Å; M148-T160 WeakPolarHBondContact O-CA 3.48Å; E149-T160 HydrophobicContact CG-CG2 4.29Å; T160-F162 HydrophobicContact CG2-CE1 4.03Å; T160-F162 HydrophobicContact CG2-CE2 3.74Å; T160-F162 HydrophobicContact CG2-CZ 3.45Å; T160-F162 VanDerWaalsContact CG2-CZ 3.45Å
161	T	96.2	Very high	83.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.2	178.1	-56.2	0	0	0	0	110.1	A72 V73 T74 V147 M148 H200	A72-T161 HydrophobicContact CB-CG2 4.43Å; V73-T161 CarbonylContact O-C 3.55Å; V73-T161 WeakPolarHBondContact O-CA 3.43Å; T74-T161 WeakPolarHBondContact OG1-CB 3.46Å; T74-T161 VanDerWaalsContact OG1-CG2 3.32Å; T74-T161 WeakPolarHBondContact OG1-CG2 3.49Å; T74-T161 PolarHBondContact OG1-OG1 3.08Å; V147-T161 CarbonylContact C-O 3.58Å; V147-T161 WeakPolarHBondContact CA-O 3.18Å; M148-T161 HydrophobicContact CE-CG2 3.55Å; M148-T161 PolarHBondContact N-O 2.86Å; M148-T161 PolarHBondContact O-N 3.4Å; T161-H200 WeakPolarHBondContact CG2-NE2 3.32Å
162	F	96.3	Very high	81.6	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.013	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.8	-179.7	-61.1	-82.8	0	0	0	109.2	A72 V73 I75 W114 F131 V133 F135 L145 V147 T160	A72-F162 CarbonylContact C-O 3.5Å; A72-F162 WeakPolarHBondContact CA-O 3.25Å; V73-F162 PolarHBondContact N-O 3.35Å; V73-F162 PolarHBondContact O-N 3.07Å; I75-F162 HydrophobicContact CB-CE2 4.41Å; I75-F162 HydrophobicContact CD1-CD2 3.93Å; I75-F162 HydrophobicContact CD1-CE2 3.73Å; I75-F162 HydrophobicContact CG1-CD2 4.43Å; I75-F162 HydrophobicContact CG1-CE2 4.34Å; W114-F162 HydrophobicContact CB-CE1 4.16Å; W114-F162 AromaticContact CD2-CE1 3.63Å; W114-F162 HydrophobicContact CD2-CE1 3.63Å; W114-F162 HydrophobicContact CD2-CZ 4.11Å; W114-F162 AromaticContact CE3-CE1 3.64Å; W114-F162 HydrophobicContact CE3-CE1 3.64Å; W114-F162 AromaticContact CE3-CZ 3.63Å; W114-F162 HydrophobicContact CE3-CZ 3.63Å; W114-F162 AromaticContact CG-CE1 3.88Å; W114-F162 HydrophobicContact CG-CE1 3.88Å; W114-F162 HydrophobicContact CZ3-CE1 4.25Å; W114-F162 AromaticContact CZ3-CZ 3.87Å; W114-F162 HydrophobicContact CZ3-CZ 3.87Å; F131-F162 HydrophobicContact CE2-CE2 4.47Å; F131-F162 HydrophobicContact CE2-CZ 4.29Å; F131-F162 HydrophobicContact CZ-CZ 4.23Å; V133-F162 HydrophobicContact CB-CZ 4.44Å; V133-F162 HydrophobicContact CG2-CE2 4.05Å; V133-F162 HydrophobicContact CG2-CZ 3.9Å; F135-F162 HydrophobicContact CE1-CB 4.36Å; F135-F162 HydrophobicContact CE2-CB 3.69Å; F135-F162 AromaticContact CE2-CD1 3.75Å; F135-F162 HydrophobicContact CE2-CD1 3.75Å; F135-F162 HydrophobicContact CE2-CD2 4.4Å; F135-F162 HydrophobicContact CE2-CE1 4.5Å; F135-F162 AromaticContact CE2-CG 3.68Å; F135-F162 HydrophobicContact CE2-CG 3.68Å; F135-F162 HydrophobicContact CZ-CB 3.36Å; F135-F162 HydrophobicContact CZ-CD1 4.06Å; F135-F162 AromaticContact CZ-CD2 3.88Å; F135-F162 HydrophobicContact CZ-CD2 3.88Å; F135-F162 AromaticContact CZ-CG 3.49Å; F135-F162 HydrophobicContact CZ-CG 3.49Å; F135-F162 VanDerWaalsContact CZ-CG 3.49Å; L145-F162 HydrophobicContact CD1-CB 4.02Å; L145-F162 HydrophobicContact CD1-CD1 4.14Å; L145-F162 HydrophobicContact CD2-CD1 4.3Å; V147-F162 HydrophobicContact CG1-CD1 4.06Å; V147-F162 HydrophobicContact CG1-CE1 3.85Å; V147-F162 HydrophobicContact CG2-CD1 3.82Å; V147-F162 HydrophobicContact CG2-CE1 4.05Å; T160-F162 HydrophobicContact CG2-CE1 4.03Å; T160-F162 HydrophobicContact CG2-CE2 3.74Å; T160-F162 HydrophobicContact CG2-CZ 3.45Å; T160-F162 VanDerWaalsContact CG2-CZ 3.45Å
163	Q	93.9	Very high	80.3	Confident	17 Å²	17	50 Å²	50	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.1	-179.8	174.6	174.2	-22.2	0	0	109.6	A72 N146 V165 T202 N203	A72-Q163 HydrophobicContact CB-CB 4.37Å; N146-Q163 HydrophobicContact CB-CB 4.36Å; N146-Q163 PolarHBondContact N-O 2.99Å; N146-Q163 PolarHBondContact O-N 3.22Å; Q163-V165 HydrophobicContact CG-CG2 4.24Å; Q163-T202 HydrophobicContact CG-CG2 3.94Å; Q163-N203 PolarHBondContact NE2-OD1 3.49Å; Q163-N203 VanDerWaalsContact OE1-N 3.09Å; Q163-N203 PolarHBondContact OE1-OD1 3.02Å
164	L	90.4	Very high	79.7	Confident	5 Å²	5	51 Å²	51	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.8	173.1	-68.2	178	0	0	0	110.1	P70 I112 F135 Y143 S144 L145 F178	P70-L164 HydrophobicContact CB-CD1 4.42Å; P70-L164 HydrophobicContact CG-CB 4.36Å; P70-L164 HydrophobicContact CG-CD1 4.28Å; I112-L164 HydrophobicContact CD1-CD2 3.75Å; F135-L164 HydrophobicContact CB-CD1 4.2Å; Y143-L164 HydrophobicContact CD1-CB 4.14Å; Y143-L164 HydrophobicContact CG-CB 4.36Å; S144-L164 CarbonylContact O-C 3.29Å; S144-L164 WeakPolarHBondContact O-CA 3.16Å; L145-L164 HydrophobicContact CB-CD2 4.2Å; L145-L164 HydrophobicContact CD1-CD2 3.8Å; L164-F178 HydrophobicContact CD1-CD2 4.22Å; L164-F178 HydrophobicContact CD1-CE2 3.36Å; L164-F178 HydrophobicContact CD1-CZ 3.94Å
165	V	87.5	Confident	79.8	Confident	55 Å²	55	50 Å²	50	33%	0.333	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.2	174.8	-177.9	0	0	0	0	107.7	Y143 S144 Q163 V167	Y143-V165 CarbonylContact C-O 3.51Å; Y143-V165 WeakPolarHBondContact CA-O 3.21Å; S144-V165 PolarHBondContact N-O 2.92Å; S144-V165 PolarHBondContact O-N 3.49Å; Q163-V165 HydrophobicContact CG-CG2 4.24Å; V165-V167 PolarHBondContact O-N 3.24Å
166	Q	80.1	Confident	80	Confident	50 Å²	50	49.4 Å²	49.4	23%	0.234	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.3	178.5	-172.2	168	9.2	0	0	110.6	Y143 T172	Y143-Q166 HydrophobicContact CD1-CB 4.04Å; Y143-Q166 HydrophobicContact CE1-CB 3.94Å; Y143-Q166 HydrophobicContact CE1-CG 4.22Å; Q166-T172 PolarHBondContact NE2-O 3.37Å
167	V	77.3	Confident	80.2	Confident	65 Å²	65	49.3 Å²	49.3	39%	0.394	28%	0.275	S	S	.	.			trans	-99.9	115.4	175.7	-176.8	0	0	0	0	108	C106 C142 S144 V165 L169	C106-V167 HydrophobicContact CB-CB 4.41Å; C106-V167 HydrophobicContact CB-CG2 4.29Å; C142-V167 PolarHBondContact O-N 3.05Å; S144-V167 VanDerWaalsContact CB-CG2 3.49Å; V165-V167 PolarHBondContact O-N 3.24Å; V167-L169 PolarHBondContact O-N 2.98Å
168	G	65.2	Low	80.3	Confident	65 Å²	65	48.9 Å²	48.9	67%	0.67	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	119.4	-172.6	0	0	0	0	0	113.5
169	L	54.4	Low	80.4	Confident	173 Å²	173	50.2 Å²	50.2	91%	0.906	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175.7	-7.9	133.1	-123.4	97.4	0	0	0	112.9	V167	V167-L169 PolarHBondContact O-N 2.98Å
170	L	53.3	Low	80.4	Confident	100 Å²	100	50.3 Å²	50.3	52%	0.524	28%	0.278	S	S	.	.	S	Bend	trans	-93.1	142.9	-177	-70.9	161	0	0	0	112.5	C142 T172	C142-L170 HydrophobicContact CB-CD1 3.7Å; L170-T172 PolarHBondContact O-N 2.89Å
171	N	54.9	Low	80.3	Confident	165 Å²	165	51.9 Å²	51.9	88%	0.882	29%	0.287	S	S	*	.	S	Bend	trans	-58.4	-6.7	-167.9	-75.1	-12.9	0	0	0	117.3	T173	N171-T173 PolarHBondContact O-N 3.41Å
172	T	57.2	Low	80.3	Confident	37 Å²	37	52 Å²	52	23%	0.227	29%	0.287	C	S	.	.			trans	-93.4	97	179.3	55.7	0	0	0	0	110.1	P139 Q166 L170 F174	P139-T172 HydrophobicContact CB-CG2 4.23Å; P139-T172 HydrophobicContact CG-CG2 4.2Å; Q166-T172 PolarHBondContact NE2-O 3.37Å; L170-T172 PolarHBondContact O-N 2.89Å; T172-F174 VanDerWaalsContact C-N 3.3Å
173	T	64.8	Low	80.2	Confident	66 Å²	66	57.1 Å²	57.1	41%	0.405	31%	0.307	S	S	.	.			trans	-85.9	1.6	177.6	62.4	0	0	0	0	113.9	K65 G67 N171	K65-T173 PolarHBondContact O-OG1 2.95Å; G67-T173 WeakPolarHBondContact CA-O 3.31Å; G67-T173 PolarHBondContact N-O 3.16Å; N171-T173 PolarHBondContact O-N 3.41Å
174	F	77.1	Confident	80.2	Confident	76 Å²	76	56.8 Å²	56.8	33%	0.333	31%	0.305	S	S	.	.			trans	-141.5	159.5	-174.7	76.8	-84.6	0	0	0	111.4	P64 P139 T172	P64-F174 HydrophobicContact CB-CB 4.4Å; P64-F174 VanDerWaalsContact O-CB 3.27Å; P64-F174 WeakPolarHBondContact O-CB 3.41Å; P139-F174 HydrophobicContact CG-CE2 4.08Å; P139-F174 HydrophobicContact CG-CZ 4.08Å; P139-F174 WeakPolarHBondContact CG-O 3.28Å; T172-F174 VanDerWaalsContact C-N 3.3Å
175	W	83.9	Confident	80.1	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.027	31%	0.314	C	S	.	.			trans	-134	154.3	172.7	59.3	-84.2	0	0	0	107.8	V68 P70 P71 T137 F178 Y228 Q367	V68-W175 PolarHBondContact O-NE1 3.24Å; P70-W175 VanDerWaalsContact CA-CZ2 3.41Å; P70-W175 HydrophobicContact CB-CH2 4.46Å; P70-W175 HydrophobicContact CB-CZ2 4.21Å; P70-W175 HydrophobicContact CG-CD2 4.15Å; P70-W175 HydrophobicContact CG-CG 4.15Å; P71-W175 HydrophobicContact CG-CH2 4.33Å; T137-W175 HydrophobicContact CG2-CB 4.48Å; W175-F178 HydrophobicContact CE3-CB 4.02Å; W175-F178 HydrophobicContact CZ3-CB 3.76Å; W175-Y228 WeakPolarHBondContact CH2-OH 3.28Å; W175-Q367 HydrophobicContact CH2-CB 4.38Å; W175-Q367 HydrophobicContact CZ3-CB 4.11Å
176	K	86.7	Confident	80.2	Confident	100 Å²	100	58.4 Å²	58.4	44%	0.435	31%	0.311	S	S	.	.	S	Bend	trans	-124	-39.4	178.9	-173.6	172.3	-175.7	172.7	0	111.9	E138 Q367	E138-K176 PolarHBondContact O-N 2.88Å; K176-Q367 PolarHBondContact O-N 3.21Å
177	I	90.8	Very high	80.1	Confident	37 Å²	37	62 Å²	62	19%	0.19	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.7	178.1	-50.8	176.1	0	0	0	108.3	T137 E138 L365 I366	T137-I177 CarbonylContact C-O 3.42Å; T137-I177 WeakPolarHBondContact CA-O 3.48Å; E138-I177 HydrophobicContact CB-CB 4.11Å; E138-I177 PolarHBondContact N-O 3.05Å; E138-I177 PolarHBondContact O-N 2.86Å; I177-L365 CarbonylContact C-O 3.58Å; I177-L365 WeakPolarHBondContact CA-O 3.47Å; I177-I366 HydrophobicContact CG1-CG1 4.39Å; I177-I366 HydrophobicContact CG2-CG1 4.32Å
178	F	93	Very high	80.3	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.009	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114.7	178.2	173.8	-119.1	0	0	0	110.4	P70 P71 V73 F135 R136 T137 L164 W175 T180 L365	P70-F178 HydrophobicContact CB-CD2 4.23Å; P70-F178 HydrophobicContact CB-CE2 4.42Å; P70-F178 HydrophobicContact CB-CG 4.3Å; P71-F178 HydrophobicContact CG-CD1 4.48Å; V73-F178 HydrophobicContact CG2-CE1 3.53Å; V73-F178 HydrophobicContact CG2-CZ 4.16Å; F135-F178 HydrophobicContact CB-CE2 4.15Å; F135-F178 HydrophobicContact CD1-CE1 4.45Å; F135-F178 AromaticContact CD1-CE2 3.79Å; F135-F178 HydrophobicContact CD1-CE2 3.79Å; F135-F178 AromaticContact CD1-CZ 3.41Å; F135-F178 HydrophobicContact CD1-CZ 3.41Å; F135-F178 VanDerWaalsContact CD1-CZ 3.41Å; F135-F178 AromaticContact CE1-CZ 3.91Å; F135-F178 HydrophobicContact CE1-CZ 3.91Å; F135-F178 HydrophobicContact CG-CE2 4.35Å; F135-F178 HydrophobicContact CG-CZ 4.32Å; R136-F178 WeakPolarHBondContact O-CD2 3.26Å; T137-F178 HydrophobicContact CG2-CD2 3.79Å; T137-F178 HydrophobicContact CG2-CE2 4.49Å; L164-F178 HydrophobicContact CD1-CD2 4.22Å; L164-F178 HydrophobicContact CD1-CE2 3.36Å; L164-F178 HydrophobicContact CD1-CZ 3.94Å; W175-F178 HydrophobicContact CE3-CB 4.02Å; W175-F178 HydrophobicContact CZ3-CB 3.76Å; F178-T180 WeakPolarHBondContact CE1-OG1 3.16Å; F178-L365 HydrophobicContact CB-CB 4.3Å; F178-L365 HydrophobicContact CD1-CB 4.39Å; F178-L365 HydrophobicContact CD1-CD1 3.95Å; F178-L365 HydrophobicContact CD1-CG 4.38Å; F178-L365 PolarHBondContact N-O 3.48Å; F178-L365 PolarHBondContact O-N 3.3Å
179	H	94.4	Very high	81.2	Confident	30 Å²	30	66.3 Å²	66.3	14%	0.139	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.7	-174.9	-62	-76.7	0	0	0	110.5	F135 R136 E138 E364	F135-H179 WeakPolarHBondContact CA-O 3.45Å; R136-H179 HydrophobicContact CB-CB 4.01Å; R136-H179 PolarHBondContact N-O 3.15Å; R136-H179 PolarHBondContact O-N 3.27Å; E138-H179 IonicContact OE1-CD2 3.94Å; E138-H179 IonicContact OE1-CE1 2.88Å; E138-H179 IonicContact OE1-NE2 3.57Å; E138-H179 PolarHBondContact OE1-NE2 3.39Å; H179-E364 IonicContact CE1-OE1 3.06Å; H179-E364 PolarHBondContact CE1-OE1 3.46Å; H179-E364 IonicContact CE1-OE2 3.94Å; H179-E364 WeakPolarHBondContact ND1-CG 3.5Å; H179-E364 IonicContact ND1-OE1 3.74Å; H179-E364 PolarHBondContact ND1-OE1 3.43Å
180	T	95.4	Very high	82.9	Confident	2 Å²	2	62 Å²	62	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	112.6	173.4	-58.7	0	0	0	0	109.2	V73 I75 V133 F135 F178 V182 Q362 L363	V73-T180 HydrophobicContact CG1-CG2 4.44Å; I75-T180 HydrophobicContact CD1-CG2 4.35Å; V133-T180 HydrophobicContact CG1-CG2 4.04Å; F135-T180 HydrophobicContact CD1-CG2 4.1Å; F135-T180 HydrophobicContact CE1-CG2 3.57Å; F135-T180 HydrophobicContact CZ-CG2 4.39Å; F178-T180 WeakPolarHBondContact CE1-OG1 3.16Å; T180-V182 HydrophobicContact CG2-CG2 4.01Å; T180-Q362 CarbonylContact O-C 3.56Å; T180-Q362 WeakPolarHBondContact O-CA 3.07Å; T180-L363 PolarHBondContact N-O 3.26Å; T180-L363 PolarHBondContact O-N 2.98Å
181	D	94.4	Very high	84.7	Confident	34 Å²	34	57.7 Å²	57.7	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.9	174.9	-179.2	9.4	0	0	0	109.3	V133 T134 Q362	V133-D181 CarbonylContact C-O 3.59Å; V133-D181 VanDerWaalsContact CA-O 3.24Å; V133-D181 WeakPolarHBondContact CA-O 3.49Å; T134-D181 PolarHBondContact N-O 2.96Å; T134-D181 PolarHBondContact O-N 3.48Å; D181-Q362 HydrophobicContact CB-CG 4.09Å; D181-Q362 WeakPolarHBondContact OD1-CG 3.45Å; D181-Q362 PolarHBondContact OD2-NE2 3.49Å
182	V	95.1	Very high	86.2	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.2	-179.1	-174.4	0	0	0	0	108.5	I75 L77 F131 V133 T180 I197 A360 V361	I75-V182 HydrophobicContact CD1-CG2 3.46Å; I75-V182 VanDerWaalsContact CD1-CG2 3.46Å; I75-V182 HydrophobicContact CG1-CG2 4.25Å; I75-V182 HydrophobicContact CG2-CG1 4.18Å; L77-V182 HydrophobicContact CD2-CG1 4.15Å; F131-V182 HydrophobicContact CD2-CG1 4.03Å; V133-V182 HydrophobicContact CG1-CG2 4.29Å; V133-V182 HydrophobicContact CG2-CG1 4.42Å; V133-V182 HydrophobicContact CG2-CG2 4.41Å; T180-V182 HydrophobicContact CG2-CG2 4.01Å; V182-I197 HydrophobicContact CG2-CD1 4.2Å; V182-A360 CarbonylContact O-C 3.59Å; V182-A360 WeakPolarHBondContact O-CA 3.23Å; V182-V361 HydrophobicContact CB-CG2 3.81Å; V182-V361 HydrophobicContact CG2-CG2 4.35Å; V182-V361 PolarHBondContact N-O 3.18Å; V182-V361 PolarHBondContact O-N 3.46Å
183	R	93.7	Very high	87.8	Confident	112 Å²	112	53.6 Å²	53.6	42%	0.423	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.3	-178.8	65.3	-176.7	-174.3	168.5	-0.1	112.3	F131 Q132 A360	F131-R183 CarbonylContact C-O 3.59Å; F131-R183 VanDerWaalsContact CA-O 3.31Å; F131-R183 WeakPolarHBondContact CA-O 3.36Å; F131-R183 WeakPolarHBondContact CB-O 3.15Å; Q132-R183 HydrophobicContact CB-CG 4.02Å; Q132-R183 PolarHBondContact N-O 3.49Å; Q132-R183 PolarHBondContact O-N 3.28Å; R183-A360 HydrophobicContact CB-CB 3.98Å
184	L	93.7	Very high	89.2	Confident	10 Å²	10	57.3 Å²	57.3	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.3	168.4	-67.5	177.3	0	0	0	110.2	F131 E186 Q189 L191 S359	F131-L184 HydrophobicContact CB-CD2 4.32Å; L184-E186 VanDerWaalsContact C-N 3.32Å; L184-Q189 HydrophobicContact CD1-CB 4.03Å; L184-L191 HydrophobicContact CD1-CD2 4.05Å; L184-L191 HydrophobicContact CD1-CG 4.38Å; L184-L191 HydrophobicContact CD2-CD2 4.05Å; L184-L191 HydrophobicContact CG-CD2 3.83Å; L184-L191 HydrophobicContact CG-CG 4.45Å; L184-S359 PolarHBondContact N-O 3.02Å; L184-S359 VanDerWaalsContact N-O 3.1Å
185	T	90.3	Very high	90	Very high	32 Å²	32	53.8 Å²	53.8	20%	0.196	27%	0.271	C	S	.	.	S	Bend	trans	-76.7	-23.2	-178.9	-49.5	0	0	0	0	111.8	D115 H130 F131	D115-T185 PolarHBondContact OD1-OG1 2.88Å; H130-T185 PolarHBondContact O-N 3.45Å; F131-T185 VanDerWaalsContact C-OG1 3.26Å; F131-T185 WeakPolarHBondContact CA-OG1 3.2Å; F131-T185 PolarHBondContact N-OG1 2.78Å
186	E	87.6	Confident	90.6	Very high	62 Å²	62	53.7 Å²	53.7	29%	0.29	27%	0.271	S	S	.	.	S	Bend	trans	-84.3	128.1	-179.2	-72	169.6	-150.4	0	0	111.6	L184 Q189	L184-E186 VanDerWaalsContact C-N 3.32Å; E186-Q189 HydrophobicContact CB-CG 4.06Å; E186-Q189 PolarHBondContact OE2-NE2 3.35Å; E186-Q189 PolarHBondContact OE2-OE1 2.87Å
187	V	79.9	Confident	91	Very high	126 Å²	126	48.9 Å²	48.9	76%	0.764	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	144.8	-179.3	-167.7	0	0	0	0	110	Q189	V187-Q189 VanDerWaalsContact C-N 3.29Å; V187-Q189 PolarHBondContact O-N 2.85Å
188	N	80.4	Confident	91.2	Very high	167 Å²	167	47.1 Å²	47.1	89%	0.893	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	19.6	-179.4	-56.4	-29	0	0	0	115.7
189	Q	84.8	Confident	91.3	Very high	52 Å²	52	47.1 Å²	47.1	24%	0.243	24%	0.241	C	C	.	.			trans	-105.1	139.5	173.4	-65.4	-161.2	5.2	0	0	112.2	K129 L184 E186 V187 S359	K129-Q189 VanDerWaalsContact CE-OE1 3.3Å; L184-Q189 HydrophobicContact CD1-CB 4.03Å; E186-Q189 HydrophobicContact CB-CG 4.06Å; E186-Q189 PolarHBondContact OE2-NE2 3.35Å; E186-Q189 PolarHBondContact OE2-OE1 2.87Å; V187-Q189 VanDerWaalsContact C-N 3.29Å; V187-Q189 PolarHBondContact O-N 2.85Å; Q189-S359 WeakPolarHBondContact O-CB 3.43Å
190	T	89.1	Confident	91.3	Very high	82 Å²	82	45.7 Å²	45.7	50%	0.503	24%	0.235	S	C	.	.			trans	-99.7	153.3	169.2	62.7	0	0	0	0	110.4	L192 R358	T190-L192 PolarHBondContact O-N 2.83Å; T190-R358 HydrophobicContact CG2-CB 3.89Å
191	L	90.7	Very high	91.2	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.052	24%	0.237	C	C	.	.			trans	-60.1	134.2	170.1	-67.5	162.5	0	0	0	110.1	L77 E79 L184 G193 P195 P220 R358 V361	L77-L191 HydrophobicContact CD2-CD2 4.39Å; E79-L191 WeakPolarHBondContact OE1-CA 3.49Å; L184-L191 HydrophobicContact CD1-CD2 4.05Å; L184-L191 HydrophobicContact CD1-CG 4.38Å; L184-L191 HydrophobicContact CD2-CD2 4.05Å; L184-L191 HydrophobicContact CG-CD2 3.83Å; L184-L191 HydrophobicContact CG-CG 4.45Å; L191-G193 PolarHBondContact O-N 2.98Å; L191-P195 HydrophobicContact CD1-CG 4.27Å; L191-P220 HydrophobicContact CB-CB 4.04Å; L191-P220 HydrophobicContact CB-CG 3.88Å; L191-P220 HydrophobicContact CD1-CB 4.13Å; L191-P220 HydrophobicContact CD1-CG 4.38Å; L191-R358 PolarHBondContact N-O 3.3Å; L191-V361 HydrophobicContact CD1-CG1 3.79Å
192	L	88.2	Confident	91	Very high	96 Å²	96	45.4 Å²	45.4	50%	0.503	23%	0.233	S	C	.	.	S	Bend	trans	-68.3	-25.3	-178.7	-68.4	178.4	0	0	0	112.6	T78 E79 T190	T78-L192 HydrophobicContact CG2-CB 4.26Å; E79-L192 HydrophobicContact CG-CD1 4.01Å; E79-L192 HydrophobicContact CG-CG 4.22Å; E79-L192 PolarHBondContact OE1-N 3.39Å; T190-L192 PolarHBondContact O-N 2.83Å
193	G	90.2	Very high	90.9	Very high	21 Å²	21	48.8 Å²	48.8	22%	0.216	25%	0.251	C	S	.	.	S	Bend	trans	-160.9	-171.4	-176.4	0	0	0	0	0	111.7	L191 P195	L191-G193 PolarHBondContact O-N 2.98Å; G193-P195 WeakPolarHBondContact O-CD 3.35Å
194	R	93.1	Very high	90.7	Very high	144 Å²	144	43.8 Å²	43.8	54%	0.543	23%	0.233	S	C	.	.			trans	-77.7	112.8	178.1	-66.4	-170	-61.4	-179.6	1.2	109.9	M218 N219	R194-M218 WeakPolarHBondContact CA-O 3.45Å; R194-M218 WeakPolarHBondContact CB-O 3.4Å; R194-M218 WeakPolarHBondContact CG-O 3.42Å; R194-N219 WeakPolarHBondContact CD-OD1 3.04Å
195	P	94.7	Very high	90.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.231	C	C	.	.			trans	-63.9	143.3	171.8	27.5	-35	0	0	0	110.3	L77 L191 G193 Y217 M218 V361	L77-P195 HydrophobicContact CD2-CB 3.71Å; L191-P195 HydrophobicContact CD1-CG 4.27Å; G193-P195 WeakPolarHBondContact O-CD 3.35Å; P195-Y217 WeakPolarHBondContact O-CA 3.37Å; P195-M218 WeakPolarHBondContact CD-O 3.09Å; P195-M218 HydrophobicContact CG-CB 4.27Å; P195-M218 PolarHBondContact O-N 3.45Å; P195-V361 HydrophobicContact CG-CB 4.38Å; P195-V361 HydrophobicContact CG-CG1 3.82Å; P195-V361 HydrophobicContact CG-CG2 3.72Å
196	L	95.5	Very high	90.6	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.6	172.5	168.5	66	0	0	0	108.4	C76 W153 I198 E216 Y217	C76-L196 HydrophobicContact CB-CB 4.09Å; C76-L196 PolarHBondContact N-O 2.91Å; C76-L196 PolarHBondContact O-N 3.26Å; W153-L196 HydrophobicContact CD2-CD2 4.44Å; W153-L196 HydrophobicContact CZ2-CD2 4Å; L196-I198 HydrophobicContact CD1-CG1 4.21Å; L196-I198 HydrophobicContact CD2-CD1 4.07Å; L196-I198 HydrophobicContact CD2-CG1 4.15Å; L196-I198 HydrophobicContact CG-CD1 4.35Å; L196-I198 HydrophobicContact CG-CG1 3.9Å; L196-E216 WeakPolarHBondContact CA-O 3.22Å; L196-Y217 HydrophobicContact CB-CD1 3.95Å; L196-Y217 HydrophobicContact CB-CE1 3.75Å; L196-Y217 HydrophobicContact CD1-CD1 4.25Å; L196-Y217 HydrophobicContact CD1-CD2 4.12Å; L196-Y217 HydrophobicContact CD1-CE1 4.07Å; L196-Y217 HydrophobicContact CD1-CE2 3.92Å; L196-Y217 HydrophobicContact CD1-CG 4.29Å; L196-Y217 HydrophobicContact CD2-CE1 4.28Å; L196-Y217 HydrophobicContact CG-CE1 4.25Å
197	I	95.7	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.5	171.8	-53.3	-165.2	0	0	0	108.6	V73 T74 V182 E216 M218 V361 L363	V73-I197 HydrophobicContact CG1-CG2 3.39Å; T74-I197 WeakPolarHBondContact O-CA 3.28Å; V182-I197 HydrophobicContact CG2-CD1 4.2Å; I197-E216 PolarHBondContact N-O 2.99Å; I197-E216 PolarHBondContact O-N 3.35Å; I197-M218 HydrophobicContact CD1-CG 4.44Å; I197-M218 HydrophobicContact CD1-SD 3.28Å; I197-M218 WeakPolarHBondContact CD1-SD 3.39Å; I197-M218 HydrophobicContact CG1-CG 4.46Å; I197-M218 HydrophobicContact CG1-SD 3.88Å; I197-V361 HydrophobicContact CD1-CG2 4.43Å; I197-L363 HydrophobicContact CB-CD2 4.37Å; I197-L363 HydrophobicContact CD1-CB 4.37Å; I197-L363 HydrophobicContact CD1-CD2 4.39Å; I197-L363 HydrophobicContact CG2-CD2 3.68Å
198	I	95.7	Very high	90.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.5	180	-47.1	171.7	0	0	0	108.4	V73 T74 L196 P206 F207 L214 Y215	V73-I198 CarbonylContact C-O 3.54Å; V73-I198 WeakPolarHBondContact CA-O 3.46Å; T74-I198 HydrophobicContact CG2-CD1 4.48Å; T74-I198 PolarHBondContact N-O 3.42Å; T74-I198 PolarHBondContact O-N 3.13Å; L196-I198 HydrophobicContact CD1-CG1 4.21Å; L196-I198 HydrophobicContact CD2-CD1 4.07Å; L196-I198 HydrophobicContact CD2-CG1 4.15Å; L196-I198 HydrophobicContact CG-CD1 4.35Å; L196-I198 HydrophobicContact CG-CG1 3.9Å; I198-P206 WeakPolarHBondContact CG2-O 3.4Å; I198-F207 HydrophobicContact CD1-CD1 4.13Å; I198-F207 HydrophobicContact CD1-CE1 4.01Å; I198-L214 CarbonylContact C-O 3.57Å; I198-L214 VanDerWaalsContact CA-O 3.31Å; I198-L214 WeakPolarHBondContact CA-O 3.31Å; I198-Y215 HydrophobicContact CB-CD1 4.38Å; I198-Y215 HydrophobicContact CB-CE1 4.46Å; I198-Y215 HydrophobicContact CD1-CD1 4.07Å; I198-Y215 HydrophobicContact CD1-CE1 3.91Å; I198-Y215 HydrophobicContact CG1-CD1 3.8Å; I198-Y215 HydrophobicContact CG1-CE1 4.04Å; I198-Y215 HydrophobicContact CG2-CD1 3.86Å; I198-Y215 HydrophobicContact CG2-CE1 3.62Å; I198-Y215 HydrophobicContact CG2-CG 4.47Å
199	T	95.1	Very high	90.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.7	176.4	71.1	0	0	0	0	109.4	A72 Y213 L214 L363 L365	A72-T199 WeakPolarHBondContact O-CA 3.48Å; T199-Y213 WeakPolarHBondContact O-CB 2.79Å; T199-L214 PolarHBondContact N-O 3.05Å; T199-L214 PolarHBondContact O-N 2.98Å; T199-L214 WeakPolarHBondContact OG1-CB 3.5Å; T199-L214 WeakPolarHBondContact OG1-CD1 3.41Å; T199-L214 VanDerWaalsContact OG1-CG 3.25Å; T199-L214 WeakPolarHBondContact OG1-CG 3.19Å; T199-L363 HydrophobicContact CG2-CD2 4.14Å; T199-L365 HydrophobicContact CG2-CD1 3.53Å; T199-L365 HydrophobicContact CG2-CD2 4.19Å; T199-L365 HydrophobicContact CG2-CG 4.43Å
200	H	94.7	Very high	89.8	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	175.1	-172.3	65.4	99.2	0	0	0	112.2	A72 T74 T161 S204 Y213	A72-H200 VanDerWaalsContact CB-CE1 3.46Å; A72-H200 WeakPolarHBondContact CB-CE1 3.38Å; A72-H200 PolarHBondContact N-O 3.37Å; A72-H200 PolarHBondContact O-CD2 3.12Å; A72-H200 PolarHBondContact O-N 2.96Å; T74-H200 PolarHBondContact OG1-NE2 2.89Å; T161-H200 WeakPolarHBondContact CG2-NE2 3.32Å; H200-S204 PolarHBondContact CE1-O 3.43Å; H200-S204 PolarHBondContact ND1-O 2.9Å; H200-S204 PolarHBondContact ND1-OG 3.37Å; H200-Y213 HydrophobicContact CB-CD1 3.58Å; H200-Y213 HydrophobicContact CB-CD2 3.51Å; H200-Y213 HydrophobicContact CB-CE1 3.77Å; H200-Y213 HydrophobicContact CB-CE2 3.7Å; H200-Y213 HydrophobicContact CB-CG 3.47Å; H200-Y213 VanDerWaalsContact CB-CG 3.47Å
201	E	92.3	Very high	89.4	Confident	13 Å²	13	30.7 Å²	30.7	6%	0.061	17%	0.168	C	C	.	.			trans	-68.9	146.8	177.2	-172	67.8	168.7	0	0	111.3	S204 Y213 K230 R341 V343 Y345	E201-S204 WeakPolarHBondContact O-CB 3.06Å; E201-S204 PolarHBondContact O-N 3.36Å; E201-S204 PolarHBondContact O-OG 2.98Å; E201-Y213 HydrophobicContact CB-CE1 4.46Å; E201-K230 IonicContact OE1-NZ 2.61Å; E201-K230 PolarHBondContact OE1-NZ 3.16Å; E201-K230 WeakPolarHBondContact OE2-CE 3.5Å; E201-K230 IonicContact OE2-NZ 2.62Å; E201-K230 PolarHBondContact OE2-NZ 2.9Å; E201-R341 IonicContact OE1-CZ 2.82Å; E201-R341 IonicContact OE1-NH1 3.59Å; E201-R341 IonicContact OE1-NH2 3.8Å; E201-R341 PolarHBondContact OE1-NH2 2.76Å; E201-V343 HydrophobicContact CB-CB 4.27Å; E201-V343 HydrophobicContact CB-CG1 4.48Å; E201-V343 HydrophobicContact CG-CB 4.19Å; E201-V343 HydrophobicContact CG-CG1 4.49Å; E201-V343 HydrophobicContact CG-CG2 4.01Å; E201-Y345 HydrophobicContact CB-CE2 4.37Å; E201-Y345 PolarHBondContact OE2-OH 3Å
202	T	91.3	Very high	89.3	Confident	17 Å²	17	31.4 Å²	31.4	10%	0.104	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	145.3	172.6	56.3	0	0	0	0	111.6	P69 Q163 S204	P69-T202 HydrophobicContact CG-CG2 4.12Å; Q163-T202 HydrophobicContact CG-CG2 3.94Å; T202-S204 PolarHBondContact O-N 3.15Å
203	N	91.3	Very high	89.5	Confident	73 Å²	73	27.4 Å²	27.4	39%	0.39	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	9.4	-175.9	-54.9	-24.3	0	0	0	115.6	Q163 F255 D256	Q163-N203 PolarHBondContact NE2-OD1 3.49Å; Q163-N203 VanDerWaalsContact OE1-N 3.09Å; Q163-N203 PolarHBondContact OE1-OD1 3.02Å; N203-F255 WeakPolarHBondContact O-CA 3.45Å; N203-F255 WeakPolarHBondContact O-CB 3.3Å; N203-D256 PolarHBondContact O-N 3.46Å
204	S	91.3	Very high	89.7	Confident	6 Å²	6	26.8 Å²	26.8	4%	0.042	14%	0.14	C	C	.	.	S	Bend	trans	-96.8	154.5	173.3	83.4	0	0	0	0	111.1	H200 E201 T202 Y213	H200-S204 PolarHBondContact CE1-O 3.43Å; H200-S204 PolarHBondContact ND1-O 2.9Å; H200-S204 PolarHBondContact ND1-OG 3.37Å; E201-S204 WeakPolarHBondContact O-CB 3.06Å; E201-S204 PolarHBondContact O-N 3.36Å; E201-S204 PolarHBondContact O-OG 2.98Å; T202-S204 PolarHBondContact O-N 3.15Å; S204-Y213 VanDerWaalsContact CB-OH 3.32Å; S204-Y213 WeakPolarHBondContact CB-OH 3.44Å; S204-Y213 PolarHBondContact OG-OH 3.17Å
205	F	91.7	Very high	89.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.			trans	-71.6	130.5	171.1	-169.6	-121.5	0	0	0	108.9	I98 V151 F207 Y213 L250 F255 T261 W264 L281	I98-F205 HydrophobicContact CD1-CE2 4.35Å; V151-F205 HydrophobicContact CG1-CE2 4.38Å; F205-F207 HydrophobicContact CD1-CB 4.01Å; F205-F207 AromaticContact CD1-CD2 3.86Å; F205-F207 HydrophobicContact CD1-CD2 3.86Å; F205-F207 HydrophobicContact CD1-CG 4.21Å; F205-F207 HydrophobicContact CE1-CB 3.93Å; F205-F207 AromaticContact CE1-CD2 3.07Å; F205-F207 HydrophobicContact CE1-CD2 3.07Å; F205-F207 AromaticContact CE1-CE2 3.67Å; F205-F207 HydrophobicContact CE1-CE2 3.67Å; F205-F207 AromaticContact CE1-CG 3.85Å; F205-F207 HydrophobicContact CE1-CG 3.85Å; F205-F207 HydrophobicContact CE2-CD2 4.13Å; F205-F207 AromaticContact CE2-CE2 3.88Å; F205-F207 HydrophobicContact CE2-CE2 3.88Å; F205-F207 AromaticContact CZ-CD2 3.23Å; F205-F207 HydrophobicContact CZ-CD2 3.23Å; F205-F207 AromaticContact CZ-CE2 3.25Å; F205-F207 HydrophobicContact CZ-CE2 3.25Å; F205-F207 HydrophobicContact CZ-CG 4.28Å; F205-F207 HydrophobicContact CZ-CZ 4.43Å; F205-F207 PolarHBondContact O-N 2.65Å; F205-Y213 WeakPolarHBondContact O-CE2 3.3Å; F205-L250 HydrophobicContact CD1-CD2 4.02Å; F205-L250 HydrophobicContact CD2-CD2 3.86Å; F205-L250 HydrophobicContact CE1-CD2 3.84Å; F205-L250 HydrophobicContact CE2-CD2 3.76Å; F205-L250 HydrophobicContact CG-CD2 4Å; F205-L250 HydrophobicContact CZ-CD2 3.73Å; F205-F255 HydrophobicContact CB-CD1 4.35Å; F205-F255 HydrophobicContact CB-CG 4.49Å; F205-F255 HydrophobicContact CD2-CE1 4.3Å; F205-F255 HydrophobicContact CD2-CE2 4.23Å; F205-F255 AromaticContact CD2-CZ 3.97Å; F205-F255 HydrophobicContact CD2-CZ 3.97Å; F205-T261 HydrophobicContact CB-CG2 4.3Å; F205-T261 WeakPolarHBondContact CB-OG1 3.49Å; F205-W264 AromaticContact CE1-CD1 3.67Å; F205-W264 HydrophobicContact CE1-CG 4.24Å; F205-W264 AromaticContact CE1-NE1 3.89Å; F205-L281 HydrophobicContact CE1-CD1 4.28Å; F205-L281 HydrophobicContact CE1-CD2 4.42Å; F205-L281 HydrophobicContact CZ-CD1 3.9Å; F205-L281 HydrophobicContact CZ-CD2 4.04Å
206	P	89.1	Confident	89.7	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-67.3	-5.7	-169.8	20.5	-30.6	0	0	0	115.1	T74 V151 I198 Y215	T74-P206 HydrophobicContact CG2-CB 4.13Å; T74-P206 HydrophobicContact CG2-CG 4.08Å; T74-P206 VanDerWaalsContact OG1-CB 3.31Å; T74-P206 WeakPolarHBondContact OG1-CB 3.46Å; V151-P206 HydrophobicContact CG1-CG 3.73Å; I198-P206 WeakPolarHBondContact CG2-O 3.4Å; P206-Y215 PolarHBondContact O-OH 3.46Å
207	F	84.1	Confident	89.7	Confident	3 Å²	3	29.5 Å²	29.5	1%	0.013	15%	0.152	C	C	.	.			trans	-103.7	122.2	-174	-47.9	-31.1	0	0	0	110.8	V151 P152 W153 I198 F205 I260 L281	V151-F207 HydrophobicContact CG1-CE2 4.37Å; V151-F207 HydrophobicContact CG1-CZ 3.89Å; P152-F207 WeakPolarHBondContact O-CE2 3.48Å; P152-F207 WeakPolarHBondContact O-CZ 3.43Å; W153-F207 HydrophobicContact CB-CE1 4.13Å; W153-F207 HydrophobicContact CB-CZ 3.98Å; W153-F207 HydrophobicContact CD2-CD1 4.24Å; W153-F207 HydrophobicContact CD2-CE1 4.02Å; W153-F207 HydrophobicContact CE3-CB 4.36Å; W153-F207 AromaticContact CE3-CD1 3.08Å; W153-F207 HydrophobicContact CE3-CD1 3.08Å; W153-F207 HydrophobicContact CE3-CD2 4.02Å; W153-F207 AromaticContact CE3-CE1 3.2Å; W153-F207 HydrophobicContact CE3-CE1 3.2Å; W153-F207 HydrophobicContact CE3-CE2 4.22Å; W153-F207 AromaticContact CE3-CG 3.54Å; W153-F207 HydrophobicContact CE3-CG 3.54Å; W153-F207 AromaticContact CE3-CZ 3.82Å; W153-F207 HydrophobicContact CE3-CZ 3.82Å; W153-F207 HydrophobicContact CG-CE1 4.44Å; W153-F207 HydrophobicContact CH2-CD1 4.43Å; W153-F207 HydrophobicContact CZ3-CB 3.86Å; W153-F207 AromaticContact CZ3-CD1 3.19Å; W153-F207 HydrophobicContact CZ3-CD1 3.19Å; W153-F207 HydrophobicContact CZ3-CD2 4.36Å; W153-F207 AromaticContact CZ3-CE1 3.84Å; W153-F207 HydrophobicContact CZ3-CE1 3.84Å; W153-F207 AromaticContact CZ3-CG 3.52Å; W153-F207 HydrophobicContact CZ3-CG 3.52Å; I198-F207 HydrophobicContact CD1-CD1 4.13Å; I198-F207 HydrophobicContact CD1-CE1 4.01Å; F205-F207 HydrophobicContact CD1-CB 4.01Å; F205-F207 AromaticContact CD1-CD2 3.86Å; F205-F207 HydrophobicContact CD1-CD2 3.86Å; F205-F207 HydrophobicContact CD1-CG 4.21Å; F205-F207 HydrophobicContact CE1-CB 3.93Å; F205-F207 AromaticContact CE1-CD2 3.07Å; F205-F207 HydrophobicContact CE1-CD2 3.07Å; F205-F207 AromaticContact CE1-CE2 3.67Å; F205-F207 HydrophobicContact CE1-CE2 3.67Å; F205-F207 AromaticContact CE1-CG 3.85Å; F205-F207 HydrophobicContact CE1-CG 3.85Å; F205-F207 HydrophobicContact CE2-CD2 4.13Å; F205-F207 AromaticContact CE2-CE2 3.88Å; F205-F207 HydrophobicContact CE2-CE2 3.88Å; F205-F207 AromaticContact CZ-CD2 3.23Å; F205-F207 HydrophobicContact CZ-CD2 3.23Å; F205-F207 AromaticContact CZ-CE2 3.25Å; F205-F207 HydrophobicContact CZ-CE2 3.25Å; F205-F207 HydrophobicContact CZ-CG 4.28Å; F205-F207 HydrophobicContact CZ-CZ 4.43Å; F205-F207 PolarHBondContact O-N 2.65Å; F207-I260 VanDerWaalsContact O-CG2 3.24Å; F207-I260 WeakPolarHBondContact O-CG2 3.4Å; F207-L281 HydrophobicContact CD2-CD2 4.46Å; F207-L281 HydrophobicContact CE2-CD2 4.46Å
208	D	79.7	Confident	89.5	Confident	6 Å²	6	29.6 Å²	29.6	3%	0.032	15%	0.152	C	C	.	.			trans	-139.5	119.5	-178.7	-179.6	43.5	0	0	0	111.8	F210 G211 R212 Y213 Y215 I260	D208-F210 VanDerWaalsContact C-N 3.32Å; D208-F210 WeakPolarHBondContact OD1-CB 3.21Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.39Å; D208-F210 PolarHBondContact OD1-N 2.74Å; D208-G211 PolarHBondContact OD2-N 2.72Å; D208-R212 VanDerWaalsContact CG-NE 3.27Å; D208-R212 IonicContact OD1-CZ 3.73Å; D208-R212 IonicContact OD1-NE 3.65Å; D208-R212 PolarHBondContact OD1-NE 2.84Å; D208-R212 IonicContact OD1-NH2 2.86Å; D208-R212 PolarHBondContact OD1-NH2 2.69Å; D208-R212 WeakPolarHBondContact OD2-CA 3.44Å; D208-R212 WeakPolarHBondContact OD2-CB 3.42Å; D208-R212 VanDerWaalsContact OD2-CG 3.24Å; D208-R212 WeakPolarHBondContact OD2-CG 3.1Å; D208-R212 IonicContact OD2-CZ 2.87Å; D208-R212 PolarHBondContact OD2-N 3.06Å; D208-R212 IonicContact OD2-NE 3.8Å; D208-R212 PolarHBondContact OD2-NE 3.44Å; D208-R212 IonicContact OD2-NH2 3.77Å; D208-Y213 HydrophobicContact CB-CD2 3.45Å; D208-Y213 VanDerWaalsContact CB-CD2 3.45Å; D208-Y213 HydrophobicContact CB-CE2 3.64Å; D208-Y213 HydrophobicContact CB-CG 4.17Å; D208-Y215 VanDerWaalsContact CA-OH 3.3Å; D208-Y215 WeakPolarHBondContact CA-OH 3.49Å; D208-Y215 PolarHBondContact N-OH 3.3Å; D208-Y215 PolarHBondContact O-OH 3.01Å; D208-I260 HydrophobicContact CB-CD1 4.26Å; D208-I260 WeakPolarHBondContact OD1-CD1 3.42Å
209	N	73.5	Confident	89.4	Confident	101 Å²	101	33 Å²	33	54%	0.54	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6	174.7	-66.1	-26.8	0	0	0	112.5	I260	N209-I260 HydrophobicContact CB-CD1 3.95Å
210	F	78.2	Confident	89.3	Confident	89 Å²	89	34.8 Å²	34.8	39%	0.39	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	2.5	-178.9	-60.8	-61.5	0	0	0	114.2	D208 R212 I260 F330	D208-F210 VanDerWaalsContact C-N 3.32Å; D208-F210 WeakPolarHBondContact OD1-CB 3.21Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.39Å; D208-F210 PolarHBondContact OD1-N 2.74Å; F210-R212 VanDerWaalsContact C-N 3.32Å; F210-R212 HydrophobicContact CB-CG 4.07Å; F210-R212 PolarHBondContact O-N 3.26Å; F210-I260 HydrophobicContact CD2-CD1 3.4Å; F210-I260 VanDerWaalsContact CD2-CD1 3.4Å; F210-I260 HydrophobicContact CD2-CG1 3.71Å; F210-I260 HydrophobicContact CE2-CD1 3.59Å; F210-I260 HydrophobicContact CE2-CG1 3.42Å; F210-I260 VanDerWaalsContact CE2-CG1 3.42Å; F210-I260 HydrophobicContact CG-CD1 4.25Å; F210-I260 HydrophobicContact CZ-CG1 4.43Å; F210-F330 HydrophobicContact CE1-CE1 4.2Å
211	G	82	Confident	89.2	Confident	57 Å²	57	34.9 Å²	34.9	59%	0.588	18%	0.184	S	C	*	.	S	Bend	trans	67.4	29.2	178.1	0	0	0	0	0	114	D208	D208-G211 PolarHBondContact OD2-N 2.72Å
212	R	87.6	Confident	89.2	Confident	25 Å²	25	34.3 Å²	34.3	9%	0.094	18%	0.181	C	C	.	.			trans	-86.5	-15	176.8	-55.3	175.3	-73.7	166.4	-2.2	112.8	D208 F210 D258 T344 Y345	D208-R212 VanDerWaalsContact CG-NE 3.27Å; D208-R212 IonicContact OD1-CZ 3.73Å; D208-R212 IonicContact OD1-NE 3.65Å; D208-R212 PolarHBondContact OD1-NE 2.84Å; D208-R212 IonicContact OD1-NH2 2.86Å; D208-R212 PolarHBondContact OD1-NH2 2.69Å; D208-R212 WeakPolarHBondContact OD2-CA 3.44Å; D208-R212 WeakPolarHBondContact OD2-CB 3.42Å; D208-R212 VanDerWaalsContact OD2-CG 3.24Å; D208-R212 WeakPolarHBondContact OD2-CG 3.1Å; D208-R212 IonicContact OD2-CZ 2.87Å; D208-R212 PolarHBondContact OD2-N 3.06Å; D208-R212 IonicContact OD2-NE 3.8Å; D208-R212 PolarHBondContact OD2-NE 3.44Å; D208-R212 IonicContact OD2-NH2 3.77Å; F210-R212 VanDerWaalsContact C-N 3.32Å; F210-R212 HydrophobicContact CB-CG 4.07Å; F210-R212 PolarHBondContact O-N 3.26Å; R212-D258 IonicContact CZ-OD1 3.31Å; R212-D258 VanDerWaalsContact CZ-OD1 3.24Å; R212-D258 IonicContact CZ-OD2 3.04Å; R212-D258 IonicContact NH1-OD1 2.75Å; R212-D258 PolarHBondContact NH1-OD1 2.99Å; R212-D258 IonicContact NH1-OD2 2.8Å; R212-D258 IonicContact NH2-OD1 3.33Å; R212-D258 PolarHBondContact NH2-OD1 2.63Å; R212-D258 IonicContact NH2-OD2 2.62Å; R212-D258 PolarHBondContact NH2-OD2 2.74Å; R212-T344 HydrophobicContact CB-CG2 3.89Å; R212-T344 HydrophobicContact CG-CG2 3.65Å; R212-T344 CarbonylContact O-C 3.52Å; R212-T344 WeakPolarHBondContact O-CA 3.04Å; R212-Y345 WeakPolarHBondContact O-CB 3Å; R212-Y345 PolarHBondContact O-N 3.36Å
213	Y	93.7	Very high	89.4	Confident	12 Å²	12	34.7 Å²	34.7	5%	0.047	18%	0.182	C	C	.	.	S	Bend	trans	-110.4	158.4	176.5	-59	-28.3	0	0	0	109.9	T199 H200 E201 S204 F205 D208 Y215 Y345	T199-Y213 WeakPolarHBondContact O-CB 2.79Å; H200-Y213 HydrophobicContact CB-CD1 3.58Å; H200-Y213 HydrophobicContact CB-CD2 3.51Å; H200-Y213 HydrophobicContact CB-CE1 3.77Å; H200-Y213 HydrophobicContact CB-CE2 3.7Å; H200-Y213 HydrophobicContact CB-CG 3.47Å; H200-Y213 VanDerWaalsContact CB-CG 3.47Å; E201-Y213 HydrophobicContact CB-CE1 4.46Å; S204-Y213 VanDerWaalsContact CB-OH 3.32Å; S204-Y213 WeakPolarHBondContact CB-OH 3.44Å; S204-Y213 PolarHBondContact OG-OH 3.17Å; F205-Y213 WeakPolarHBondContact O-CE2 3.3Å; D208-Y213 HydrophobicContact CB-CD2 3.45Å; D208-Y213 VanDerWaalsContact CB-CD2 3.45Å; D208-Y213 HydrophobicContact CB-CE2 3.64Å; D208-Y213 HydrophobicContact CB-CG 4.17Å; Y213-Y215 WeakPolarHBondContact O-CD2 3.4Å; Y213-Y345 HydrophobicContact CD1-CD2 4.09Å
214	L	93.5	Very high	89.6	Confident	9 Å²	9	31.7 Å²	31.7	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.3	175.4	-42.1	175.8	0	0	0	108.4	I198 T199 I226 Y228 K347	I198-L214 CarbonylContact C-O 3.57Å; I198-L214 VanDerWaalsContact CA-O 3.31Å; I198-L214 WeakPolarHBondContact CA-O 3.31Å; T199-L214 PolarHBondContact N-O 3.05Å; T199-L214 PolarHBondContact O-N 2.98Å; T199-L214 WeakPolarHBondContact OG1-CB 3.5Å; T199-L214 WeakPolarHBondContact OG1-CD1 3.41Å; T199-L214 VanDerWaalsContact OG1-CG 3.25Å; T199-L214 WeakPolarHBondContact OG1-CG 3.19Å; L214-I226 HydrophobicContact CD1-CG2 4.2Å; L214-Y228 HydrophobicContact CD1-CG 4.24Å; L214-K347 HydrophobicContact CD2-CB 4.09Å
215	Y	94.2	Very high	89.8	Confident	59 Å²	59	32.3 Å²	32.3	23%	0.231	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	111.6	178.8	-65.6	-94.8	0	0	0	108.2	W153 I198 P206 D208 Y213	W153-Y215 HydrophobicContact CH2-CD1 4.32Å; W153-Y215 AromaticContact CH2-CE1 3.83Å; W153-Y215 HydrophobicContact CH2-CE1 3.83Å; W153-Y215 HydrophobicContact CZ3-CE1 4.33Å; I198-Y215 HydrophobicContact CB-CD1 4.38Å; I198-Y215 HydrophobicContact CB-CE1 4.46Å; I198-Y215 HydrophobicContact CD1-CD1 4.07Å; I198-Y215 HydrophobicContact CD1-CE1 3.91Å; I198-Y215 HydrophobicContact CG1-CD1 3.8Å; I198-Y215 HydrophobicContact CG1-CE1 4.04Å; I198-Y215 HydrophobicContact CG2-CD1 3.86Å; I198-Y215 HydrophobicContact CG2-CE1 3.62Å; I198-Y215 HydrophobicContact CG2-CG 4.47Å; P206-Y215 PolarHBondContact O-OH 3.46Å; D208-Y215 VanDerWaalsContact CA-OH 3.3Å; D208-Y215 WeakPolarHBondContact CA-OH 3.49Å; D208-Y215 PolarHBondContact N-OH 3.3Å; D208-Y215 PolarHBondContact O-OH 3.01Å; Y213-Y215 WeakPolarHBondContact O-CD2 3.4Å
216	E	94.1	Very high	90	Very high	24 Å²	24	32.3 Å²	32.3	11%	0.112	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.2	-171.4	-59	-65.2	169.1	0	0	109.8	L196 I197 L224 I226 K347	L196-E216 WeakPolarHBondContact CA-O 3.22Å; I197-E216 PolarHBondContact N-O 2.99Å; I197-E216 PolarHBondContact O-N 3.35Å; E216-L224 HydrophobicContact CB-CD2 4.13Å; E216-L224 HydrophobicContact CG-CD2 4.31Å; E216-I226 HydrophobicContact CG-CD1 3.55Å; E216-K347 VanDerWaalsContact CD-NZ 3.25Å; E216-K347 WeakPolarHBondContact OE1-CD 3.37Å; E216-K347 WeakPolarHBondContact OE1-CE 3.38Å; E216-K347 IonicContact OE1-NZ 2.85Å; E216-K347 PolarHBondContact OE1-NZ 3.45Å; E216-K347 IonicContact OE2-NZ 3.83Å; E216-K347 PolarHBondContact OE2-NZ 3.01Å
217	Y	94.5	Very high	90.2	Very high	123 Å²	123	36.2 Å²	36.2	48%	0.482	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108	171.1	-72.9	-84.3	0	0	0	108.5	P195 L196	P195-Y217 WeakPolarHBondContact O-CA 3.37Å; L196-Y217 HydrophobicContact CB-CD1 3.95Å; L196-Y217 HydrophobicContact CB-CE1 3.75Å; L196-Y217 HydrophobicContact CD1-CD1 4.25Å; L196-Y217 HydrophobicContact CD1-CD2 4.12Å; L196-Y217 HydrophobicContact CD1-CE1 4.07Å; L196-Y217 HydrophobicContact CD1-CE2 3.92Å; L196-Y217 HydrophobicContact CD1-CG 4.29Å; L196-Y217 HydrophobicContact CD2-CE1 4.28Å; L196-Y217 HydrophobicContact CG-CE1 4.25Å
218	M	93.2	Very high	90.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-89.4	147.9	-175.5	-58.1	-174.2	74.9	0	0	111.6	R194 P195 I197 L224 V361 Q362 L363	R194-M218 WeakPolarHBondContact CA-O 3.45Å; R194-M218 WeakPolarHBondContact CB-O 3.4Å; R194-M218 WeakPolarHBondContact CG-O 3.42Å; P195-M218 WeakPolarHBondContact CD-O 3.09Å; P195-M218 HydrophobicContact CG-CB 4.27Å; P195-M218 PolarHBondContact O-N 3.45Å; I197-M218 HydrophobicContact CD1-CG 4.44Å; I197-M218 HydrophobicContact CD1-SD 3.28Å; I197-M218 WeakPolarHBondContact CD1-SD 3.39Å; I197-M218 HydrophobicContact CG1-CG 4.46Å; I197-M218 HydrophobicContact CG1-SD 3.88Å; M218-L224 HydrophobicContact CE-CB 3.64Å; M218-V361 HydrophobicContact CB-CB 4.21Å; M218-V361 HydrophobicContact CB-CG1 4.1Å; M218-V361 HydrophobicContact CE-CB 3.99Å; M218-V361 HydrophobicContact SD-CB 4.03Å; M218-V361 HydrophobicContact SD-CG2 4.02Å; M218-Q362 VanDerWaalsContact CE-C 3.49Å; M218-Q362 WeakPolarHBondContact CE-O 3.44Å; M218-L363 HydrophobicContact CE-CB 4.15Å; M218-L363 HydrophobicContact SD-CB 4.15Å
219	N	92.6	Very high	91.1	Very high	71 Å²	71	37 Å²	37	38%	0.38	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-83.8	140.5	172.5	-66.6	-34.4	0	0	0	109.3	R194 G221 S222 V361	R194-N219 WeakPolarHBondContact CD-OD1 3.04Å; N219-G221 PolarHBondContact O-N 3.21Å; N219-S222 PolarHBondContact N-OG 2.79Å; N219-S222 WeakPolarHBondContact O-CB 3.49Å; N219-S222 PolarHBondContact O-N 3.33Å; N219-S222 VanDerWaalsContact O-N 3.17Å; N219-S222 PolarHBondContact O-OG 3.36Å; N219-V361 VanDerWaalsContact O-CG1 3.27Å; N219-V361 WeakPolarHBondContact O-CG1 3.44Å
220	P	92.8	Very high	91.9	Very high	39 Å²	39	32.5 Å²	32.5	25%	0.253	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	131.3	173.3	-26.7	36.1	0	0	0	111.7	L191 R358	L191-P220 HydrophobicContact CB-CB 4.04Å; L191-P220 HydrophobicContact CB-CG 3.88Å; L191-P220 HydrophobicContact CD1-CB 4.13Å; L191-P220 HydrophobicContact CD1-CG 4.38Å; P220-R358 HydrophobicContact CB-CB 4.43Å
221	G	92	Very high	92.4	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.031	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	37.4	-174.1	0	0	0	0	0	113.4	N219 I355 D357 A360	N219-G221 PolarHBondContact O-N 3.21Å; G221-I355 CarbonylContact O-C 3.6Å; G221-I355 WeakPolarHBondContact O-CA 3.33Å; G221-I355 PolarHBondContact O-N 3.44Å; G221-D357 WeakPolarHBondContact CA-O 3.28Å; G221-A360 WeakPolarHBondContact CA-O 3.48Å; G221-A360 PolarHBondContact N-O 2.84Å
222	S	93.6	Very high	92.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.4	172.9	73.5	0	0	0	0	112.6	N219 D353 Q362	N219-S222 PolarHBondContact N-OG 2.79Å; N219-S222 WeakPolarHBondContact O-CB 3.49Å; N219-S222 PolarHBondContact O-N 3.33Å; N219-S222 VanDerWaalsContact O-N 3.17Å; N219-S222 PolarHBondContact O-OG 3.36Å; S222-D353 CarbonylContact C-O 3.53Å; S222-D353 WeakPolarHBondContact CA-O 3.23Å; S222-Q362 PolarHBondContact O-N 3.32Å
223	L	95	Very high	92.8	Very high	25 Å²	25	26.7 Å²	26.7	13%	0.131	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.7	166.5	175.4	69.2	0	0	0	107.8	D353 I355 Q362 E364	L223-D353 HydrophobicContact CB-CB 4.09Å; L223-D353 HydrophobicContact CD2-CB 4.22Å; L223-D353 PolarHBondContact N-O 2.82Å; L223-D353 PolarHBondContact O-N 3.45Å; L223-I355 HydrophobicContact CB-CD1 3.85Å; L223-I355 HydrophobicContact CB-CG1 3.87Å; L223-Q362 CarbonylContact C-O 3.59Å; L223-Q362 VanDerWaalsContact CA-O 3.26Å; L223-Q362 WeakPolarHBondContact CA-O 3.47Å; L223-Q362 HydrophobicContact CB-CB 4.48Å; L223-Q362 HydrophobicContact CD1-CB 3.42Å; L223-Q362 VanDerWaalsContact CD1-CB 3.42Å; L223-E364 HydrophobicContact CD1-CG 3.83Å
224	L	95.3	Very high	92.6	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.1	176.9	-177.6	63.7	0	0	0	109.4	E216 M218 I226 E350 L352 Q362 L363 E364	E216-L224 HydrophobicContact CB-CD2 4.13Å; E216-L224 HydrophobicContact CG-CD2 4.31Å; M218-L224 HydrophobicContact CE-CB 3.64Å; L224-I226 HydrophobicContact CD1-CG1 4.5Å; L224-I226 HydrophobicContact CD2-CD1 3.77Å; L224-I226 HydrophobicContact CD2-CG1 4.08Å; L224-I226 HydrophobicContact CG-CD1 4.09Å; L224-I226 HydrophobicContact CG-CG1 3.82Å; L224-E350 HydrophobicContact CD1-CB 4.2Å; L224-L352 HydrophobicContact CB-CD1 4.45Å; L224-L352 HydrophobicContact CD1-CB 4.34Å; L224-L352 HydrophobicContact CD1-CD1 4.18Å; L224-Q362 PolarHBondContact N-O 2.92Å; L224-L363 HydrophobicContact CB-CD1 4.24Å; L224-L363 HydrophobicContact CD2-CD1 4.21Å; L224-L363 HydrophobicContact CG-CD1 4.26Å; L224-L363 CarbonylContact O-C 3.49Å; L224-L363 WeakPolarHBondContact O-CA 3.46Å; L224-L363 WeakPolarHBondContact O-CD1 3.32Å; L224-E364 PolarHBondContact O-N 3.22Å
225	N	95.4	Very high	92.4	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.107	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120	176.7	-55.7	-31.6	0	0	0	108.4	E350 V351 D353 E364	N225-E350 CarbonylContact O-C 3.6Å; N225-E350 VanDerWaalsContact O-CA 3.25Å; N225-E350 WeakPolarHBondContact O-CA 3.35Å; N225-V351 HydrophobicContact CB-CB 4.25Å; N225-V351 PolarHBondContact N-O 3.19Å; N225-V351 PolarHBondContact O-N 3.37Å; N225-D353 PolarHBondContact ND2-OD2 3.25Å; N225-E364 CarbonylContact C-O 3.34Å; N225-E364 WeakPolarHBondContact CA-O 3.24Å; N225-E364 WeakPolarHBondContact OD1-CB 3.33Å; N225-E364 VanDerWaalsContact OD1-CD 3.32Å; N225-E364 VanDerWaalsContact OD1-CG 3.25Å; N225-E364 WeakPolarHBondContact OD1-CG 3.36Å; N225-E364 PolarHBondContact OD1-OE2 2.85Å
226	I	95	Very high	91.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117	-176.8	-54.4	-174.6	0	0	0	109.9	L214 E216 L224 K347 L363 E364 L365 I366	L214-I226 HydrophobicContact CD1-CG2 4.2Å; E216-I226 HydrophobicContact CG-CD1 3.55Å; L224-I226 HydrophobicContact CD1-CG1 4.5Å; L224-I226 HydrophobicContact CD2-CD1 3.77Å; L224-I226 HydrophobicContact CD2-CG1 4.08Å; L224-I226 HydrophobicContact CG-CD1 4.09Å; L224-I226 HydrophobicContact CG-CG1 3.82Å; I226-K347 HydrophobicContact CG2-CD 4.48Å; I226-K347 HydrophobicContact CG2-CG 3.98Å; I226-L363 HydrophobicContact CD1-CD1 3.63Å; I226-L363 HydrophobicContact CG1-CD1 3.9Å; I226-E364 PolarHBondContact N-O 2.93Å; I226-L365 HydrophobicContact CB-CD2 3.92Å; I226-L365 HydrophobicContact CD1-CD2 4.28Å; I226-L365 HydrophobicContact CG1-CD2 4.41Å; I226-I366 PolarHBondContact O-N 2.87Å
227	F	93.8	Very high	91.4	Very high	82 Å²	82	37.3 Å²	37.3	36%	0.36	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121	165.5	-61.9	-91.5	0	0	0	108.2	L348 N349 V351 I366	F227-L348 HydrophobicContact CB-CB 4.36Å; F227-L348 WeakPolarHBondContact O-CA 3.04Å; F227-L348 WeakPolarHBondContact O-CB 3.45Å; F227-L348 PolarHBondContact O-N 3.34Å; F227-N349 HydrophobicContact CB-CB 4.19Å; F227-N349 HydrophobicContact CD2-CB 4.01Å; F227-N349 HydrophobicContact CG-CB 4.45Å; F227-N349 PolarHBondContact N-O 3.01Å; F227-N349 PolarHBondContact O-N 3.23Å; F227-V351 HydrophobicContact CE2-CG2 4.31Å; F227-I366 HydrophobicContact CD1-CB 3.83Å; F227-I366 HydrophobicContact CD1-CD1 4.03Å; F227-I366 HydrophobicContact CD1-CG2 3.7Å; F227-I366 HydrophobicContact CD2-CD1 4.5Å; F227-I366 HydrophobicContact CE1-CB 4.06Å; F227-I366 HydrophobicContact CE1-CD1 3.51Å; F227-I366 HydrophobicContact CE1-CG1 4.39Å; F227-I366 HydrophobicContact CE1-CG2 3.75Å; F227-I366 HydrophobicContact CE2-CD1 4.02Å; F227-I366 HydrophobicContact CG-CB 4.43Å; F227-I366 HydrophobicContact CZ-CD1 3.5Å
228	Y	92.9	Very high	90.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.6	-179.1	79.7	-82.5	0	0	0	111.7	W175 L214 K230 Y345 K346 L365 I366 Q367 A368	W175-Y228 WeakPolarHBondContact CH2-OH 3.28Å; L214-Y228 HydrophobicContact CD1-CG 4.24Å; Y228-K230 HydrophobicContact CE2-CB 4.29Å; Y228-Y345 AromaticContact CD2-CD1 3.64Å; Y228-Y345 HydrophobicContact CD2-CD1 3.64Å; Y228-Y345 HydrophobicContact CD2-CE1 4.34Å; Y228-Y345 AromaticContact CE2-CD1 3.53Å; Y228-Y345 HydrophobicContact CE2-CD1 3.53Å; Y228-Y345 AromaticContact CE2-CE1 3.76Å; Y228-Y345 HydrophobicContact CE2-CE1 3.76Å; Y228-K346 CarbonylContact C-O 3.44Å; Y228-K346 VanDerWaalsContact CA-O 3.28Å; Y228-K346 WeakPolarHBondContact CA-O 3.36Å; Y228-K346 WeakPolarHBondContact CB-O 3.3Å; Y228-L365 HydrophobicContact CD1-CB 4.16Å; Y228-L365 HydrophobicContact CE1-CB 3.82Å; Y228-I366 WeakPolarHBondContact CD1-O 3.46Å; Y228-I366 PolarHBondContact N-O 2.86Å; Y228-I366 VanDerWaalsContact N-O 3.08Å; Y228-Q367 HydrophobicContact CE1-CB 4.27Å; Y228-A368 PolarHBondContact O-N 3.26Å; Y228-A368 VanDerWaalsContact O-N 3.13Å
229	S	89.9	Confident	89.9	Confident	24 Å²	24	43.3 Å²	43.3	17%	0.168	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.1	168	61.8	0	0	0	0	110.5	Y345 K346	S229-Y345 WeakPolarHBondContact O-CA 3.28Å; S229-K346 PolarHBondContact N-O 2.84Å; S229-K346 PolarHBondContact O-N 3.4Å
230	K	90.1	Very high	89.2	Confident	8 Å²	8	48 Å²	48	4%	0.035	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.7	171.5	-176.3	176.6	177.5	157	0	107.7	E201 Y228 V343 T344 Y345 L371 T372	E201-K230 IonicContact OE1-NZ 2.61Å; E201-K230 PolarHBondContact OE1-NZ 3.16Å; E201-K230 WeakPolarHBondContact OE2-CE 3.5Å; E201-K230 IonicContact OE2-NZ 2.62Å; E201-K230 PolarHBondContact OE2-NZ 2.9Å; Y228-K230 HydrophobicContact CE2-CB 4.29Å; K230-V343 HydrophobicContact CD-CG1 4.32Å; K230-V343 HydrophobicContact CG-CG1 3.96Å; K230-T344 CarbonylContact C-O 3.54Å; K230-T344 WeakPolarHBondContact CA-O 3.3Å; K230-Y345 HydrophobicContact CB-CE1 4.41Å; K230-Y345 HydrophobicContact CD-CE1 4.14Å; K230-Y345 HydrophobicContact CG-CE1 4.2Å; K230-Y345 PolarHBondContact NZ-OH 3.34Å; K230-Y345 VanDerWaalsContact NZ-OH 3.16Å; K230-L371 HydrophobicContact CB-CD1 3.56Å; K230-L371 HydrophobicContact CD-CD1 3.72Å; K230-L371 HydrophobicContact CG-CD1 3.47Å; K230-L371 VanDerWaalsContact CG-CD1 3.47Å; K230-L371 WeakPolarHBondContact O-CD1 3.28Å; K230-T372 PolarHBondContact O-N 3.32Å
231	S	89.1	Confident	88.6	Confident	13 Å²	13	51 Å²	51	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.2	169.4	85.8	0	0	0	0	110.7	V343 T344 T372	S231-V343 WeakPolarHBondContact O-CA 3.32Å; S231-T344 PolarHBondContact N-O 3.22Å; S231-T344 PolarHBondContact O-N 2.91Å; S231-T344 PolarHBondContact OG-OG1 3.45Å; S231-T372 CarbonylContact C-O 3.57Å; S231-T372 WeakPolarHBondContact CA-O 3.46Å; S231-T372 WeakPolarHBondContact CB-OG1 3.29Å
232	I	89.3	Confident	88.2	Confident	14 Å²	14	54.2 Å²	54.2	7%	0.072	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.7	178.2	-56.6	-177.2	0	0	0	107.3	K234 R341 V343 L371 T372 E373 M374	I232-K234 HydrophobicContact CG2-CG 4.4Å; I232-R341 HydrophobicContact CG2-CG 4.25Å; I232-V343 HydrophobicContact CG1-CG2 4.26Å; I232-L371 HydrophobicContact CD1-CD1 4.29Å; I232-L371 HydrophobicContact CD1-CD2 3.82Å; I232-L371 HydrophobicContact CD1-CG 4.47Å; I232-L371 HydrophobicContact CG1-CD1 4.17Å; I232-L371 HydrophobicContact CG1-CD2 4.42Å; I232-T372 PolarHBondContact N-O 3.31Å; I232-E373 HydrophobicContact CB-CG 4.47Å; I232-E373 CarbonylContact O-C 3.56Å; I232-E373 WeakPolarHBondContact O-CA 3.33Å; I232-M374 PolarHBondContact O-N 3.14Å
233	T	89.2	Confident	88	Confident	22 Å²	22	54.7 Å²	54.7	14%	0.135	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118	171.8	-45.1	0	0	0	0	108.9	R235 R341 T342 M374	T233-R235 HydrophobicContact CG2-CG 4.16Å; T233-R341 WeakPolarHBondContact O-CA 3.41Å; T233-T342 VanDerWaalsContact CB-OG1 3.3Å; T233-T342 WeakPolarHBondContact CB-OG1 3.41Å; T233-T342 PolarHBondContact N-O 3.11Å; T233-T342 PolarHBondContact O-N 3.32Å; T233-M374 CarbonylContact C-O 3.56Å; T233-M374 WeakPolarHBondContact CA-O 3.5Å; T233-M374 HydrophobicContact CG2-CB 4.3Å
234	K	89.8	Confident	87.8	Confident	83 Å²	83	54.8 Å²	54.8	36%	0.361	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.2	170.5	-69	179.8	174.3	165.5	0	108.4	I232 C340 E373 M374 T375 E376	I232-K234 HydrophobicContact CG2-CG 4.4Å; K234-C340 CarbonylContact C-O 3.55Å; K234-C340 WeakPolarHBondContact CA-O 3.31Å; K234-E373 VanDerWaalsContact CD-OE1 3.29Å; K234-E373 WeakPolarHBondContact CD-OE1 3.48Å; K234-E373 WeakPolarHBondContact CE-OE1 3.47Å; K234-E373 IonicContact NZ-OE1 2.75Å; K234-E373 PolarHBondContact NZ-OE1 2.77Å; K234-M374 PolarHBondContact N-O 3.3Å; K234-T375 HydrophobicContact CB-CG2 4.17Å; K234-T375 HydrophobicContact CD-CG2 4.01Å; K234-T375 HydrophobicContact CG-CG2 4.5Å; K234-E376 PolarHBondContact O-N 3.38Å
235	R	87.8	Confident	87.6	Confident	78 Å²	78	58.8 Å²	58.8	29%	0.294	29%	0.287	S	S	.	.			trans	-91.6	143.3	179.1	-59.7	-175.2	-176.9	-159.7	-0.3	110.6	T233 L338 C340 E376	T233-R235 HydrophobicContact CG2-CG 4.16Å; R235-L338 VanDerWaalsContact NH1-CD2 3.33Å; R235-C340 PolarHBondContact N-O 2.69Å; R235-E376 VanDerWaalsContact CA-OE2 3.31Å; R235-E376 WeakPolarHBondContact CA-OE2 3.28Å; R235-E376 WeakPolarHBondContact CB-OE2 3.47Å
236	L	83	Confident	87.4	Confident	61 Å²	61	65.3 Å²	65.3	32%	0.319	31%	0.314	S	S	.	.			trans	-83.6	125.9	175.7	-174.5	66.3	0	0	0	109.3	T55 T238 E376 A378	T55-L236 HydrophobicContact CG2-CD2 4.21Å; L236-T238 HydrophobicContact CB-CG2 4.32Å; L236-T238 HydrophobicContact CD2-CG2 3.88Å; L236-T238 HydrophobicContact CG-CG2 3.92Å; L236-T238 PolarHBondContact O-N 2.69Å; L236-T238 VanDerWaalsContact O-N 3.09Å; L236-E376 HydrophobicContact CB-CB 4.14Å; L236-E376 PolarHBondContact N-OE2 3.49Å; L236-E376 VanDerWaalsContact N-OE2 3.15Å; L236-A378 HydrophobicContact CD2-CB 3.88Å
237	N	85	Confident	87.3	Confident	104 Å²	104	69.4 Å²	69.4	56%	0.556	34%	0.341	S	S	*	.			trans	-70.3	109.1	174.7	-168.7	13.7	0	0	0	109.8	P242 C243	N237-P242 WeakPolarHBondContact OD1-CA 3.29Å; N237-C243 WeakPolarHBondContact CA-SG 3.36Å; N237-C243 VanDerWaalsContact CB-SG 3.52Å; N237-C243 PolarHBondContact OD1-N 3.37Å; N237-C243 PolarHBondContact OD1-O 2.8Å
238	T	80.4	Confident	87.1	Confident	19 Å²	19	66.3 Å²	66.3	12%	0.117	33%	0.328	C	S	.	.			trans	-124.5	161	179.8	64.9	0	0	0	0	111.1	L236 R240 N241 P242	L236-T238 HydrophobicContact CB-CG2 4.32Å; L236-T238 HydrophobicContact CD2-CG2 3.88Å; L236-T238 HydrophobicContact CG-CG2 3.92Å; L236-T238 PolarHBondContact O-N 2.69Å; L236-T238 VanDerWaalsContact O-N 3.09Å; T238-R240 PolarHBondContact O-N 2.91Å; T238-N241 PolarHBondContact N-O 3.03Å; T238-N241 CarbonylContact O-C 3.57Å; T238-N241 PolarHBondContact O-N 2.82Å; T238-N241 VanDerWaalsContact O-O 3.13Å; T238-N241 PolarHBondContact OG1-N 2.87Å; T238-N241 PolarHBondContact OG1-O 2.93Å; T238-P242 WeakPolarHBondContact O-CA 3.39Å; T238-P242 VanDerWaalsContact O-N 3.12Å
239	R	76.5	Confident	87	Confident	234 Å²	234	71.1 Å²	71.1	88%	0.883	35%	0.354	S	S	*	.	S	Bend	trans	-63.2	-29.8	176.3	-171.8	177.3	179.4	-174.1	1.1	113
240	R	77.2	Confident	87	Confident	170 Å²	170	70.1 Å²	70.1	64%	0.642	35%	0.347	S	S	*	.	S	Bend	trans	-78.4	-44.2	177.2	-74.6	-174.3	177.1	-179.2	0	111.6	T52 T238 P242	T52-R240 PolarHBondContact O-NH1 3.32Å; T238-R240 PolarHBondContact O-N 2.91Å; R240-P242 WeakPolarHBondContact O-CD 3.24Å
241	N	80	Confident	86.7	Confident	102 Å²	102	70.9 Å²	70.9	55%	0.545	35%	0.351	S	S	.	.	S	Bend	trans	-121	84.4	178.5	-66.9	-18.6	0	0	0	108.8	T238 C243	T238-N241 PolarHBondContact N-O 3.03Å; T238-N241 CarbonylContact O-C 3.57Å; T238-N241 PolarHBondContact O-N 2.82Å; T238-N241 VanDerWaalsContact O-O 3.13Å; T238-N241 PolarHBondContact OG1-N 2.87Å; T238-N241 PolarHBondContact OG1-O 2.93Å; N241-C243 PolarHBondContact O-N 2.83Å
242	P	84.6	Confident	86.4	Confident	69 Å²	69	76.5 Å²	76.5	45%	0.448	38%	0.38	S	S	.	.			trans	-67.5	134.9	176.7	28	-33.4	0	0	0	109.3	N237 T238 R240	N237-P242 WeakPolarHBondContact OD1-CA 3.29Å; T238-P242 WeakPolarHBondContact O-CA 3.39Å; T238-P242 VanDerWaalsContact O-N 3.12Å; R240-P242 WeakPolarHBondContact O-CD 3.24Å
243	C	89	Confident	86.4	Confident	11 Å²	11	77 Å²	77	7%	0.074	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	158.8	169.5	75.9	0	0	0	0	110.2	N237 N241 L338 C340	N237-C243 WeakPolarHBondContact CA-SG 3.36Å; N237-C243 VanDerWaalsContact CB-SG 3.52Å; N237-C243 PolarHBondContact OD1-N 3.37Å; N237-C243 PolarHBondContact OD1-O 2.8Å; N241-C243 PolarHBondContact O-N 2.83Å; C243-L338 CarbonylContact C-O 3.52Å; C243-L338 WeakPolarHBondContact CA-O 3.21Å; C243-L338 WeakPolarHBondContact CB-O 3.48Å; C243-C340 HydrophobicContact CB-CB 3.95Å; C243-C340 WeakPolarHBondContact CB-SG 3.26Å; C243-C340 PolarHBondContact O-SG 3.32Å; C243-C340 WeakPolarHBondContact SG-CA 3.39Å; C243-C340 WeakPolarHBondContact SG-CB 3.5Å; C243-C340 CovalentContact SG-SG 2.05Å; C243-C340 PolarHBondContact SG-SG 3.25Å
244	T	91	Very high	86.5	Confident	28 Å²	28	79.5 Å²	79.5	17%	0.172	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.7	176.8	-179.6	0	0	0	0	111.6	K246 Y257 P337 L338 A339 C340	T244-K246 PolarHBondContact OG1-N 2.95Å; T244-Y257 HydrophobicContact CG2-CD1 3.5Å; T244-Y257 HydrophobicContact CG2-CD2 3.48Å; T244-Y257 VanDerWaalsContact CG2-CD2 3.48Å; T244-Y257 HydrophobicContact CG2-CE1 3.2Å; T244-Y257 HydrophobicContact CG2-CE2 3.18Å; T244-Y257 HydrophobicContact CG2-CG 3.64Å; T244-P337 HydrophobicContact CG2-CG 3.72Å; T244-L338 PolarHBondContact N-O 2.77Å; T244-A339 WeakPolarHBondContact O-CA 3.31Å; T244-C340 PolarHBondContact N-SG 3.4Å; T244-C340 PolarHBondContact O-N 3.37Å
245	S	90	Very high	86.7	Confident	93 Å²	93	75.7 Å²	75.7	65%	0.65	39%	0.385	S	S	*	.			trans	-128.5	8.8	176.3	55.9	0	0	0	0	112.2
246	K	91.2	Very high	86.9	Confident	156 Å²	156	75.2 Å²	75.2	68%	0.678	39%	0.388	S	S	*	.			trans	-70.8	129.9	-178.5	-66	-175.5	179.7	-176.9	0	110.8	T244 Y257	T244-K246 PolarHBondContact OG1-N 2.95Å; K246-Y257 VanDerWaalsContact O-CB 3.26Å; K246-Y257 WeakPolarHBondContact O-CB 3.21Å; K246-Y257 VanDerWaalsContact O-CD2 3.24Å; K246-Y257 WeakPolarHBondContact O-CD2 3.3Å
247	P	92.8	Very high	87.3	Confident	86 Å²	86	73.5 Å²	73.5	56%	0.558	38%	0.377	S	S	*	.			trans	-59.6	150.5	179	26.6	-34.9	0	0	0	111.7	F255	P247-F255 CarbonylContact C-O 3.57Å; P247-F255 VanDerWaalsContact CA-O 3.24Å; P247-F255 WeakPolarHBondContact CA-O 3.33Å; P247-F255 WeakPolarHBondContact CB-O 2.93Å
248	I	90.9	Very high	87.5	Confident	17 Å²	17	68.9 Å²	68.9	9%	0.087	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.1	179.9	-65.4	163.2	0	0	0	109.1	F255 Y257 T261 C262 H265	I248-F255 PolarHBondContact N-O 2.83Å; I248-F255 PolarHBondContact O-N 2.73Å; I248-Y257 HydrophobicContact CD1-CD2 3.2Å; I248-Y257 HydrophobicContact CD1-CE2 3.31Å; I248-Y257 HydrophobicContact CD1-CG 4.05Å; I248-Y257 HydrophobicContact CG1-CD2 3.66Å; I248-Y257 HydrophobicContact CG1-CE2 4.03Å; I248-T261 HydrophobicContact CB-CG2 4.12Å; I248-T261 HydrophobicContact CG2-CG2 4Å; I248-C262 HydrophobicContact CD1-CB 3.61Å; I248-H265 HydrophobicContact CG2-CB 3.77Å
249	N	91.2	Very high	87.7	Confident	101 Å²	101	68.8 Å²	68.8	54%	0.54	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.5	172.7	-63.2	-13.9	0	0	0	109.8	N253 S254 H265	N249-N253 CarbonylContact C-O 3.45Å; N249-N253 VanDerWaalsContact CA-O 3.23Å; N249-N253 WeakPolarHBondContact CA-O 3.36Å; N249-S254 WeakPolarHBondContact OD1-CA 3.05Å; N249-S254 VanDerWaalsContact OD1-CB 3.26Å; N249-S254 WeakPolarHBondContact OD1-CB 3.46Å; N249-S254 PolarHBondContact OD1-OG 3.48Å; N249-H265 PolarHBondContact O-CD2 2.68Å
250	L	88.3	Confident	88.2	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.7	176.6	-177.4	66.9	0	0	0	108.7	F205 D252 N253 F255 T261 W264 H265 L281	F205-L250 HydrophobicContact CD1-CD2 4.02Å; F205-L250 HydrophobicContact CD2-CD2 3.86Å; F205-L250 HydrophobicContact CE1-CD2 3.84Å; F205-L250 HydrophobicContact CE2-CD2 3.76Å; F205-L250 HydrophobicContact CG-CD2 4Å; F205-L250 HydrophobicContact CZ-CD2 3.73Å; L250-D252 VanDerWaalsContact C-N 3.3Å; L250-D252 PolarHBondContact O-N 2.7Å; L250-N253 PolarHBondContact N-O 2.75Å; L250-N253 PolarHBondContact O-N 2.88Å; L250-N253 VanDerWaalsContact O-N 3.11Å; L250-F255 HydrophobicContact CB-CD2 3.98Å; L250-F255 HydrophobicContact CB-CE2 3.99Å; L250-T261 HydrophobicContact CB-CG2 4.27Å; L250-T261 HydrophobicContact CD2-CG2 4.14Å; L250-W264 HydrophobicContact CD1-CB 4.12Å; L250-W264 HydrophobicContact CD2-CB 3.99Å; L250-H265 HydrophobicContact CD1-CB 4.27Å; L250-L281 HydrophobicContact CD1-CD1 4.04Å; L250-L281 HydrophobicContact CD2-CD1 3.93Å; L250-L281 HydrophobicContact CG-CD1 4.26Å
251	L	84.2	Confident	88.8	Confident	24 Å²	24	49.6 Å²	49.6	13%	0.126	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	47.5	-177.5	-61.3	175.1	0	0	0	113.3	I98 P152 N253 L281 E282	I98-L251 HydrophobicContact CD1-CB 3.95Å; I98-L251 HydrophobicContact CD1-CD1 3.91Å; I98-L251 HydrophobicContact CG1-CB 3.91Å; I98-L251 HydrophobicContact CG1-CD1 3.88Å; P152-L251 HydrophobicContact CG-CD1 3.72Å; L251-N253 PolarHBondContact O-N 3.12Å; L251-L281 HydrophobicContact CD1-CB 3.98Å; L251-L281 HydrophobicContact CD1-CD1 4.45Å; L251-E282 HydrophobicContact CD2-CG 3.99Å
252	D	84.1	Confident	89.2	Confident	130 Å²	130	45.3 Å²	45.3	70%	0.695	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	5.3	-178.8	-56.2	-30.7	0	0	0	116.8	N97 L250	N97-D252 PolarHBondContact ND2-OD2 3.31Å; L250-D252 VanDerWaalsContact C-N 3.3Å; L250-D252 PolarHBondContact O-N 2.7Å
253	N	89	Confident	89.4	Confident	24 Å²	24	42.5 Å²	42.5	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.1	174.5	-74.4	-23.9	0	0	0	112.1	I98 N249 L250 L251 F255	I98-N253 WeakPolarHBondContact CB-ND2 3.05Å; I98-N253 WeakPolarHBondContact CG2-ND2 3.44Å; N249-N253 CarbonylContact C-O 3.45Å; N249-N253 VanDerWaalsContact CA-O 3.23Å; N249-N253 WeakPolarHBondContact CA-O 3.36Å; L250-N253 PolarHBondContact N-O 2.75Å; L250-N253 PolarHBondContact O-N 2.88Å; L250-N253 VanDerWaalsContact O-N 3.11Å; L251-N253 PolarHBondContact O-N 3.12Å; N253-F255 HydrophobicContact CB-CE2 3.78Å; N253-F255 HydrophobicContact CB-CZ 3.98Å; N253-F255 WeakPolarHBondContact O-CD2 3.37Å
254	S	91.5	Very high	89.3	Confident	75 Å²	75	42.4 Å²	42.4	52%	0.524	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.9	178	-153.2	0	0	0	0	110.5	N249	N249-S254 WeakPolarHBondContact OD1-CA 3.05Å; N249-S254 VanDerWaalsContact OD1-CB 3.26Å; N249-S254 WeakPolarHBondContact OD1-CB 3.46Å; N249-S254 PolarHBondContact OD1-OG 3.48Å
255	F	92.6	Very high	89.2	Confident	4 Å²	4	45 Å²	45	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.8	177.9	-63.3	-82.2	0	0	0	110.5	I98 M148 N203 F205 P247 I248 L250 N253 T261	I98-F255 HydrophobicContact CD1-CZ 4.38Å; M148-F255 HydrophobicContact CE-CE1 4.05Å; M148-F255 HydrophobicContact SD-CE1 3.89Å; M148-F255 HydrophobicContact SD-CZ 4.21Å; N203-F255 WeakPolarHBondContact O-CA 3.45Å; N203-F255 WeakPolarHBondContact O-CB 3.3Å; F205-F255 HydrophobicContact CB-CD1 4.35Å; F205-F255 HydrophobicContact CB-CG 4.49Å; F205-F255 HydrophobicContact CD2-CE1 4.3Å; F205-F255 HydrophobicContact CD2-CE2 4.23Å; F205-F255 AromaticContact CD2-CZ 3.97Å; F205-F255 HydrophobicContact CD2-CZ 3.97Å; P247-F255 CarbonylContact C-O 3.57Å; P247-F255 VanDerWaalsContact CA-O 3.24Å; P247-F255 WeakPolarHBondContact CA-O 3.33Å; P247-F255 WeakPolarHBondContact CB-O 2.93Å; I248-F255 PolarHBondContact N-O 2.83Å; I248-F255 PolarHBondContact O-N 2.73Å; L250-F255 HydrophobicContact CB-CD2 3.98Å; L250-F255 HydrophobicContact CB-CE2 3.99Å; N253-F255 HydrophobicContact CB-CE2 3.78Å; N253-F255 HydrophobicContact CB-CZ 3.98Å; N253-F255 WeakPolarHBondContact O-CD2 3.37Å; F255-T261 HydrophobicContact CB-CG2 4.12Å; F255-T261 HydrophobicContact CD2-CG2 4.32Å; F255-T261 HydrophobicContact CG-CG2 4.46Å
256	D	91.7	Very high	89.1	Confident	68 Å²	68	42.5 Å²	42.5	36%	0.364	23%	0.226	S	C	.	.			trans	-57.6	147.3	167	-77.1	-8.5	0	0	0	110	N203 D258	N203-D256 PolarHBondContact O-N 3.46Å; D256-D258 PolarHBondContact O-N 2.75Å; D256-D258 VanDerWaalsContact O-N 3.07Å
257	Y	92	Very high	88.8	Confident	25 Å²	25	36.2 Å²	36.2	10%	0.098	20%	0.201	C	C	.	.			trans	-61	121.7	-179.5	-169.8	-88.7	0	0	0	110.3	T244 K246 I248 C262 P337 A339	T244-Y257 HydrophobicContact CG2-CD1 3.5Å; T244-Y257 HydrophobicContact CG2-CD2 3.48Å; T244-Y257 VanDerWaalsContact CG2-CD2 3.48Å; T244-Y257 HydrophobicContact CG2-CE1 3.2Å; T244-Y257 HydrophobicContact CG2-CE2 3.18Å; T244-Y257 HydrophobicContact CG2-CG 3.64Å; K246-Y257 VanDerWaalsContact O-CB 3.26Å; K246-Y257 WeakPolarHBondContact O-CB 3.21Å; K246-Y257 VanDerWaalsContact O-CD2 3.24Å; K246-Y257 WeakPolarHBondContact O-CD2 3.3Å; I248-Y257 HydrophobicContact CD1-CD2 3.2Å; I248-Y257 HydrophobicContact CD1-CE2 3.31Å; I248-Y257 HydrophobicContact CD1-CG 4.05Å; I248-Y257 HydrophobicContact CG1-CD2 3.66Å; I248-Y257 HydrophobicContact CG1-CE2 4.03Å; Y257-C262 HydrophobicContact CE2-CB 4.09Å; Y257-P337 WeakPolarHBondContact CE1-O 3.39Å; Y257-P337 WeakPolarHBondContact OH-CD 3.35Å; Y257-P337 PolarHBondContact OH-O 3.04Å; Y257-A339 HydrophobicContact CD1-CB 3.67Å; Y257-A339 HydrophobicContact CE1-CB 4.15Å
258	D	88.5	Confident	88.5	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.037	18%	0.177	C	C	.	.			trans	-134.8	146.3	166.5	-170.1	16.8	0	0	0	109.3	R212 D256 I260 T261 C262	R212-D258 IonicContact CZ-OD1 3.31Å; R212-D258 VanDerWaalsContact CZ-OD1 3.24Å; R212-D258 IonicContact CZ-OD2 3.04Å; R212-D258 IonicContact NH1-OD1 2.75Å; R212-D258 PolarHBondContact NH1-OD1 2.99Å; R212-D258 IonicContact NH1-OD2 2.8Å; R212-D258 IonicContact NH2-OD1 3.33Å; R212-D258 PolarHBondContact NH2-OD1 2.63Å; R212-D258 IonicContact NH2-OD2 2.62Å; R212-D258 PolarHBondContact NH2-OD2 2.74Å; D256-D258 PolarHBondContact O-N 2.75Å; D256-D258 VanDerWaalsContact O-N 3.07Å; D258-I260 PolarHBondContact O-N 3.06Å; D258-T261 PolarHBondContact O-N 3.19Å; D258-C262 PolarHBondContact O-N 2.99Å
259	Q	86.4	Confident	88.3	Confident	17 Å²	17	33.1 Å²	33.1	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-34.5	-177.5	-168.4	179.7	24.1	0	0	110.9	C262 Q263 N333 C336	Q259-C262 WeakPolarHBondContact O-CB 3.23Å; Q259-C262 PolarHBondContact O-N 3.15Å; Q259-Q263 VanDerWaalsContact O-CG 3.26Å; Q259-Q263 WeakPolarHBondContact O-CG 3.26Å; Q259-Q263 PolarHBondContact O-N 2.68Å; Q259-N333 PolarHBondContact NE2-OD1 3.17Å; Q259-C336 HydrophobicContact CG-CB 4.45Å; Q259-C336 PolarHBondContact NE2-O 2.98Å
260	I	86.2	Confident	87.9	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-78.6	-40	180	-67	-171.1	0	0	0	112.6	F207 D208 N209 F210 D258 C262 Q263 W264	F207-I260 VanDerWaalsContact O-CG2 3.24Å; F207-I260 WeakPolarHBondContact O-CG2 3.4Å; D208-I260 HydrophobicContact CB-CD1 4.26Å; D208-I260 WeakPolarHBondContact OD1-CD1 3.42Å; N209-I260 HydrophobicContact CB-CD1 3.95Å; F210-I260 HydrophobicContact CD2-CD1 3.4Å; F210-I260 VanDerWaalsContact CD2-CD1 3.4Å; F210-I260 HydrophobicContact CD2-CG1 3.71Å; F210-I260 HydrophobicContact CE2-CD1 3.59Å; F210-I260 HydrophobicContact CE2-CG1 3.42Å; F210-I260 VanDerWaalsContact CE2-CG1 3.42Å; F210-I260 HydrophobicContact CG-CD1 4.25Å; F210-I260 HydrophobicContact CZ-CG1 4.43Å; D258-I260 PolarHBondContact O-N 3.06Å; I260-C262 PolarHBondContact O-N 3.4Å; I260-Q263 WeakPolarHBondContact O-CB 3.41Å; I260-Q263 PolarHBondContact O-N 2.85Å; I260-W264 PolarHBondContact O-N 2.83Å
261	T	89.5	Confident	87.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.3	-40.6	170.4	-49.5	0	0	0	0	110.5	F205 I248 L250 F255 D258 W264 H265	F205-T261 HydrophobicContact CB-CG2 4.3Å; F205-T261 WeakPolarHBondContact CB-OG1 3.49Å; I248-T261 HydrophobicContact CB-CG2 4.12Å; I248-T261 HydrophobicContact CG2-CG2 4Å; L250-T261 HydrophobicContact CB-CG2 4.27Å; L250-T261 HydrophobicContact CD2-CG2 4.14Å; F255-T261 HydrophobicContact CB-CG2 4.12Å; F255-T261 HydrophobicContact CD2-CG2 4.32Å; F255-T261 HydrophobicContact CG-CG2 4.46Å; D258-T261 PolarHBondContact O-N 3.19Å; T261-W264 PolarHBondContact O-N 2.82Å; T261-H265 WeakPolarHBondContact O-CB 3.35Å; T261-H265 PolarHBondContact O-N 3.04Å
262	C	89.4	Confident	87.8	Confident	12 Å²	12	36.3 Å²	36.3	8%	0.081	19%	0.192	C	C	.	.	H	α-helix	trans	-60.5	-48.4	173.4	-177.5	0	0	0	0	111.7	I248 Y257 D258 Q259 I260 W264 H265 T266 C336	I248-C262 HydrophobicContact CD1-CB 3.61Å; Y257-C262 HydrophobicContact CE2-CB 4.09Å; D258-C262 PolarHBondContact O-N 2.99Å; Q259-C262 WeakPolarHBondContact O-CB 3.23Å; Q259-C262 PolarHBondContact O-N 3.15Å; I260-C262 PolarHBondContact O-N 3.4Å; C262-W264 VanDerWaalsContact C-N 3.32Å; C262-W264 PolarHBondContact O-N 2.62Å; C262-H265 PolarHBondContact O-N 2.8Å; C262-T266 PolarHBondContact O-N 3.28Å; C262-T266 PolarHBondContact O-OG1 3.19Å; C262-T266 VanDerWaalsContact O-OG1 3.12Å; C262-C336 HydrophobicContact CB-CB 3.78Å; C262-C336 WeakPolarHBondContact CB-SG 3.47Å; C262-C336 WeakPolarHBondContact SG-CA 2.94Å; C262-C336 WeakPolarHBondContact SG-CB 3.26Å; C262-C336 CovalentContact SG-SG 2.06Å; C262-C336 PolarHBondContact SG-SG 3Å
263	Q	87.4	Confident	87.8	Confident	9 Å²	9	38.5 Å²	38.5	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-46.7	178.5	-73.9	170	-2.9	0	0	111.3	Q259 I260 T266 V267 V331 C336	Q259-Q263 VanDerWaalsContact O-CG 3.26Å; Q259-Q263 WeakPolarHBondContact O-CG 3.26Å; Q259-Q263 PolarHBondContact O-N 2.68Å; I260-Q263 WeakPolarHBondContact O-CB 3.41Å; I260-Q263 PolarHBondContact O-N 2.85Å; Q263-T266 PolarHBondContact O-N 2.95Å; Q263-V267 WeakPolarHBondContact O-CB 3.43Å; Q263-V267 VanDerWaalsContact O-CG2 3.25Å; Q263-V267 WeakPolarHBondContact O-CG2 3.44Å; Q263-V267 PolarHBondContact O-N 2.76Å; Q263-V331 HydrophobicContact CB-CG2 4.06Å; Q263-V331 HydrophobicContact CG-CB 3.9Å; Q263-V331 HydrophobicContact CG-CG2 3.81Å; Q263-C336 HydrophobicContact CG-CB 4.47Å
264	W	87.3	Confident	87.5	Confident	9 Å²	9	43.8 Å²	43.8	3%	0.034	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-44.7	176.7	-85.4	122.5	0	0	0	113	P154 F205 L250 I260 T261 C262 T266 V267 C268 P280 L281 M328	P154-W264 HydrophobicContact CG-CH2 4.09Å; P154-W264 HydrophobicContact CG-CZ2 4.34Å; F205-W264 AromaticContact CE1-CD1 3.67Å; F205-W264 HydrophobicContact CE1-CG 4.24Å; F205-W264 AromaticContact CE1-NE1 3.89Å; L250-W264 HydrophobicContact CD1-CB 4.12Å; L250-W264 HydrophobicContact CD2-CB 3.99Å; I260-W264 PolarHBondContact O-N 2.83Å; T261-W264 PolarHBondContact O-N 2.82Å; C262-W264 VanDerWaalsContact C-N 3.32Å; C262-W264 PolarHBondContact O-N 2.62Å; W264-T266 PolarHBondContact O-N 3.07Å; W264-V267 PolarHBondContact O-N 2.9Å; W264-C268 WeakPolarHBondContact O-CB 3.41Å; W264-C268 PolarHBondContact O-N 2.95Å; W264-C268 PolarHBondContact O-SG 3.31Å; W264-P280 HydrophobicContact CH2-CB 4.2Å; W264-P280 HydrophobicContact CZ3-CB 4.02Å; W264-P280 HydrophobicContact CZ3-CG 4.48Å; W264-L281 HydrophobicContact CB-CD1 3.98Å; W264-L281 HydrophobicContact CD2-CD1 3.67Å; W264-L281 HydrophobicContact CD2-CD2 3.99Å; W264-L281 HydrophobicContact CD2-CG 3.86Å; W264-L281 HydrophobicContact CE3-CD1 3.63Å; W264-L281 HydrophobicContact CE3-CD2 4Å; W264-L281 HydrophobicContact CE3-CG 3.51Å; W264-L281 HydrophobicContact CG-CD1 3.89Å; W264-L281 HydrophobicContact CH2-CD2 3.51Å; W264-L281 HydrophobicContact CH2-CG 3.79Å; W264-L281 HydrophobicContact CZ2-CD2 3.52Å; W264-L281 HydrophobicContact CZ2-CG 4.14Å; W264-L281 HydrophobicContact CZ3-CD1 4.19Å; W264-L281 HydrophobicContact CZ3-CD2 3.82Å; W264-L281 HydrophobicContact CZ3-CG 3.51Å; W264-M328 HydrophobicContact CH2-CE 3.09Å; W264-M328 HydrophobicContact CH2-CG 4.22Å; W264-M328 HydrophobicContact CH2-SD 3.46Å; W264-M328 WeakPolarHBondContact CH2-SD 3.22Å; W264-M328 HydrophobicContact CZ2-CE 3.2Å; W264-M328 HydrophobicContact CZ2-CG 4.24Å; W264-M328 HydrophobicContact CZ2-SD 3.05Å; W264-M328 WeakPolarHBondContact CZ2-SD 3.48Å; W264-M328 HydrophobicContact CZ3-CE 4.16Å; W264-M328 HydrophobicContact CZ3-SD 4.31Å
265	H	89.4	Confident	87.1	Confident	83 Å²	83	40.9 Å²	40.9	38%	0.384	20%	0.199	S	C	.	.	H	α-helix	trans	-59.5	-46.6	175.8	171.2	-95	0	0	0	111.4	I248 N249 L250 T261 C262 C268 A269	I248-H265 HydrophobicContact CG2-CB 3.77Å; N249-H265 PolarHBondContact O-CD2 2.68Å; L250-H265 HydrophobicContact CD1-CB 4.27Å; T261-H265 WeakPolarHBondContact O-CB 3.35Å; T261-H265 PolarHBondContact O-N 3.04Å; C262-H265 PolarHBondContact O-N 2.8Å; H265-C268 PolarHBondContact O-N 3.49Å; H265-A269 WeakPolarHBondContact O-CB 3.1Å; H265-A269 PolarHBondContact O-N 3.22Å
266	T	87.2	Confident	86.6	Confident	40 Å²	40	45.5 Å²	45.5	25%	0.245	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-43.6	178	-61.4	0	0	0	0	111.9	C262 Q263 W264 R270 V331 I335	C262-T266 PolarHBondContact O-N 3.28Å; C262-T266 PolarHBondContact O-OG1 3.19Å; C262-T266 VanDerWaalsContact O-OG1 3.12Å; Q263-T266 PolarHBondContact O-N 2.95Å; W264-T266 PolarHBondContact O-N 3.07Å; T266-R270 WeakPolarHBondContact O-CB 3.42Å; T266-R270 PolarHBondContact O-N 2.96Å; T266-V331 HydrophobicContact CG2-CG1 4.35Å; T266-I335 HydrophobicContact CG2-CG2 4.08Å
267	V	84.2	Confident	86	Confident	24 Å²	24	42.7 Å²	42.7	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-51.7	177.1	170.3	0	0	0	0	110.2	Q263 W264 A269 R270 Y271	Q263-V267 WeakPolarHBondContact O-CB 3.43Å; Q263-V267 VanDerWaalsContact O-CG2 3.25Å; Q263-V267 WeakPolarHBondContact O-CG2 3.44Å; Q263-V267 PolarHBondContact O-N 2.76Å; W264-V267 PolarHBondContact O-N 2.9Å; V267-A269 VanDerWaalsContact C-N 3.35Å; V267-A269 PolarHBondContact O-N 2.78Å; V267-R270 WeakPolarHBondContact O-CB 3.46Å; V267-R270 PolarHBondContact O-N 2.89Å; V267-Y271 HydrophobicContact CG1-CD2 3.83Å; V267-Y271 HydrophobicContact CG1-CE2 3.76Å; V267-Y271 VanDerWaalsContact O-CD2 3.27Å; V267-Y271 WeakPolarHBondContact O-CD2 3.36Å; V267-Y271 PolarHBondContact O-N 3.46Å
268	C	86.7	Confident	85.5	Confident	10 Å²	10	42.8 Å²	42.8	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-41.1	179.3	-69.9	0	0	0	0	112.5	W264 H265 R270 Y271 N272 C279	W264-C268 WeakPolarHBondContact O-CB 3.41Å; W264-C268 PolarHBondContact O-N 2.95Å; W264-C268 PolarHBondContact O-SG 3.31Å; H265-C268 PolarHBondContact O-N 3.49Å; C268-R270 VanDerWaalsContact C-N 3.28Å; C268-R270 PolarHBondContact O-N 2.91Å; C268-Y271 PolarHBondContact O-N 3.4Å; C268-N272 WeakPolarHBondContact O-CB 3.37Å; C268-N272 PolarHBondContact O-N 3.01Å; C268-C279 WeakPolarHBondContact CA-SG 3.25Å; C268-C279 HydrophobicContact CB-CB 3.62Å; C268-C279 WeakPolarHBondContact CB-SG 3.11Å; C268-C279 WeakPolarHBondContact SG-CB 3.44Å; C268-C279 CovalentContact SG-SG 2.04Å; C268-C279 PolarHBondContact SG-SG 3.28Å
269	A	87.2	Confident	85.3	Confident	29 Å²	29	42.5 Å²	42.5	24%	0.24	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-39.2	176.5	0	0	0	0	0	111.9	H265 V267 K273	H265-A269 WeakPolarHBondContact O-CB 3.1Å; H265-A269 PolarHBondContact O-N 3.22Å; V267-A269 VanDerWaalsContact C-N 3.35Å; V267-A269 PolarHBondContact O-N 2.78Å; A269-K273 VanDerWaalsContact O-CB 3.26Å; A269-K273 WeakPolarHBondContact O-CB 3.31Å; A269-K273 WeakPolarHBondContact O-CG 3.36Å; A269-K273 PolarHBondContact O-N 3.48Å
270	R	83.7	Confident	85	Confident	103 Å²	103	43 Å²	43	39%	0.389	22%	0.216	S	C	.	.	H	α-helix	trans	-66.8	-48.8	176.5	-171.9	173.9	-172.6	-164.1	-6	112.2	T266 V267 C268 N272 K273 E274 C275	T266-R270 WeakPolarHBondContact O-CB 3.42Å; T266-R270 PolarHBondContact O-N 2.96Å; V267-R270 WeakPolarHBondContact O-CB 3.46Å; V267-R270 PolarHBondContact O-N 2.89Å; C268-R270 VanDerWaalsContact C-N 3.28Å; C268-R270 PolarHBondContact O-N 2.91Å; R270-N272 VanDerWaalsContact C-N 3.3Å; R270-N272 PolarHBondContact O-N 3.46Å; R270-K273 PolarHBondContact O-N 3.36Å; R270-E274 HydrophobicContact CG-CB 4.23Å; R270-E274 HydrophobicContact CG-CG 4.2Å; R270-E274 VanDerWaalsContact CG-OE2 3.26Å; R270-E274 WeakPolarHBondContact CG-OE2 3.27Å; R270-E274 IonicContact CZ-OE2 3.72Å; R270-E274 IonicContact NE-OE2 3.68Å; R270-E274 PolarHBondContact NE-OE2 2.88Å; R270-E274 IonicContact NH2-OE2 3.76Å; R270-E274 WeakPolarHBondContact O-CB 3.47Å; R270-E274 PolarHBondContact O-N 3.23Å; R270-C275 PolarHBondContact O-N 3.42Å
271	Y	83.7	Confident	85	Confident	26 Å²	26	43 Å²	43	10%	0.102	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-45.5	177.1	-89.5	-108.8	0	0	0	111.2	V267 C268 C275 N276 C277 T278 C322 L324	V267-Y271 HydrophobicContact CG1-CD2 3.83Å; V267-Y271 HydrophobicContact CG1-CE2 3.76Å; V267-Y271 VanDerWaalsContact O-CD2 3.27Å; V267-Y271 WeakPolarHBondContact O-CD2 3.36Å; V267-Y271 PolarHBondContact O-N 3.46Å; C268-Y271 PolarHBondContact O-N 3.4Å; Y271-C275 CarbonylContact O-C 3.47Å; Y271-C275 WeakPolarHBondContact O-CB 3.49Å; Y271-C275 PolarHBondContact O-N 3.48Å; Y271-N276 PolarHBondContact O-N 2.97Å; Y271-N276 VanDerWaalsContact O-N 3.1Å; Y271-C277 CarbonylContact C-O 3.55Å; Y271-C277 VanDerWaalsContact C-O 3.3Å; Y271-C277 HydrophobicContact CD1-CB 3.98Å; Y271-C277 PolarHBondContact O-N 3.18Å; Y271-T278 WeakPolarHBondContact CD1-O 3.26Å; Y271-C322 PolarHBondContact OH-O 3.07Å; Y271-C322 VanDerWaalsContact OH-O 3.06Å; Y271-L324 HydrophobicContact CE2-CD1 4.32Å
272	N	86	Confident	84.8	Confident	67 Å²	67	43.5 Å²	43.5	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-71.1	-44.5	-178.9	-71.1	-15.6	0	0	0	112.8	C268 R270 N276 C277	C268-N272 WeakPolarHBondContact O-CB 3.37Å; C268-N272 PolarHBondContact O-N 3.01Å; R270-N272 VanDerWaalsContact C-N 3.3Å; R270-N272 PolarHBondContact O-N 3.46Å; N272-N276 PolarHBondContact O-OD1 2.04Å; N272-C277 PolarHBondContact OD1-O 2.86Å
273	K	85.1	Confident	84.4	Confident	176 Å²	176	43.5 Å²	43.5	77%	0.765	22%	0.217	S	C	*	.	H	α-helix	trans	-89	-43.1	-172.8	-66.5	-177.5	178.6	-178.1	0	114.7	A269 R270	A269-K273 VanDerWaalsContact O-CB 3.26Å; A269-K273 WeakPolarHBondContact O-CB 3.31Å; A269-K273 WeakPolarHBondContact O-CG 3.36Å; A269-K273 PolarHBondContact O-N 3.48Å; R270-K273 PolarHBondContact O-N 3.36Å
274	E	81.9	Confident	84	Confident	135 Å²	135	43.6 Å²	43.6	63%	0.631	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-34.5	-175.2	-64.6	-179.7	-168.4	0	0	111.7	R270	R270-E274 HydrophobicContact CG-CB 4.23Å; R270-E274 HydrophobicContact CG-CG 4.2Å; R270-E274 VanDerWaalsContact CG-OE2 3.26Å; R270-E274 WeakPolarHBondContact CG-OE2 3.27Å; R270-E274 IonicContact CZ-OE2 3.72Å; R270-E274 IonicContact NE-OE2 3.68Å; R270-E274 PolarHBondContact NE-OE2 2.88Å; R270-E274 IonicContact NH2-OE2 3.76Å; R270-E274 WeakPolarHBondContact O-CB 3.47Å; R270-E274 PolarHBondContact O-N 3.23Å
275	C	82	Confident	83.7	Confident	13 Å²	13	46.4 Å²	46.4	9%	0.088	23%	0.229	C	C	.	.	S	Bend	trans	-105.7	-11.2	-172.2	-51.1	0	0	0	0	113.6	R270 Y271 C277 C322	R270-C275 PolarHBondContact O-N 3.42Å; Y271-C275 CarbonylContact O-C 3.47Å; Y271-C275 WeakPolarHBondContact O-CB 3.49Å; Y271-C275 PolarHBondContact O-N 3.48Å; C275-C277 HydrophobicContact CB-CB 4.02Å; C275-C277 PolarHBondContact O-N 3.4Å; C275-C277 PolarHBondContact O-SG 3.45Å; C275-C322 HydrophobicContact CB-CB 3.82Å; C275-C322 WeakPolarHBondContact CB-SG 3.26Å; C275-C322 WeakPolarHBondContact SG-CB 3.37Å; C275-C322 CovalentContact SG-SG 2.03Å; C275-C322 PolarHBondContact SG-SG 3.48Å
276	N	82.1	Confident	83.1	Confident	101 Å²	101	44.4 Å²	44.4	54%	0.54	22%	0.221	S	C	.	.			trans	47.9	43.3	-168.8	-71	-9.2	0	0	0	112.5	Y271 N272	Y271-N276 PolarHBondContact O-N 2.97Å; Y271-N276 VanDerWaalsContact O-N 3.1Å; N272-N276 PolarHBondContact O-OD1 2.04Å
277	C	80.4	Confident	82.7	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.061	22%	0.224	C	C	.	.			trans	-124.8	153.6	-173.3	-70.8	0	0	0	0	112.1	Y271 N272 C275 C318	Y271-C277 CarbonylContact C-O 3.55Å; Y271-C277 VanDerWaalsContact C-O 3.3Å; Y271-C277 HydrophobicContact CD1-CB 3.98Å; Y271-C277 PolarHBondContact O-N 3.18Å; N272-C277 PolarHBondContact OD1-O 2.86Å; C275-C277 HydrophobicContact CB-CB 4.02Å; C275-C277 PolarHBondContact O-N 3.4Å; C275-C277 PolarHBondContact O-SG 3.45Å; C277-C318 HydrophobicContact CB-CB 4.25Å; C277-C318 WeakPolarHBondContact SG-CA 3.46Å; C277-C318 VanDerWaalsContact SG-CB 3.54Å; C277-C318 PolarHBondContact SG-SG 3.02Å
278	T	81.1	Confident	82.5	Confident	28 Å²	28	47.1 Å²	47.1	17%	0.172	23%	0.227	C	C	.	.			trans	-70.1	130.2	173.1	38.3	0	0	0	0	111	Y271 R285 L286	Y271-T278 WeakPolarHBondContact CD1-O 3.26Å; T278-R285 HydrophobicContact CG2-CB 3.72Å; T278-L286 WeakPolarHBondContact OG1-CD2 3.24Å
279	C	84.6	Confident	82	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.			trans	-68.4	151.8	177.1	-179.5	0	0	0	0	111.3	C268 L281 E282	C268-C279 WeakPolarHBondContact CA-SG 3.25Å; C268-C279 HydrophobicContact CB-CB 3.62Å; C268-C279 WeakPolarHBondContact CB-SG 3.11Å; C268-C279 WeakPolarHBondContact SG-CB 3.44Å; C268-C279 CovalentContact SG-SG 2.04Å; C268-C279 PolarHBondContact SG-SG 3.28Å; C279-L281 PolarHBondContact O-N 3.46Å; C279-L281 VanDerWaalsContact O-N 3.12Å; C279-E282 HydrophobicContact CB-CG 4.11Å; C279-E282 WeakPolarHBondContact O-CB 3.45Å; C279-E282 PolarHBondContact O-N 2.79Å
280	P	80.7	Confident	81.5	Confident	27 Å²	27	53.2 Å²	53.2	18%	0.175	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.7	175.2	-27	34.5	0	0	0	116	W264 E282 L283	W264-P280 HydrophobicContact CH2-CB 4.2Å; W264-P280 HydrophobicContact CZ3-CB 4.02Å; W264-P280 HydrophobicContact CZ3-CG 4.48Å; P280-E282 VanDerWaalsContact C-N 3.27Å; P280-L283 VanDerWaalsContact O-CD2 3.3Å; P280-L283 WeakPolarHBondContact O-CD2 3.34Å
281	L	85.9	Confident	81.1	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.3	173	-65.5	178.9	0	0	0	113	P152 P154 F205 F207 L250 L251 W264 C279 L283	P152-L281 WeakPolarHBondContact CB-O 3.32Å; P152-L281 HydrophobicContact CG-CB 4.04Å; P152-L281 HydrophobicContact CG-CD2 4.3Å; P152-L281 WeakPolarHBondContact CG-O 3.35Å; P154-L281 HydrophobicContact CG-CD2 4.04Å; F205-L281 HydrophobicContact CE1-CD1 4.28Å; F205-L281 HydrophobicContact CE1-CD2 4.42Å; F205-L281 HydrophobicContact CZ-CD1 3.9Å; F205-L281 HydrophobicContact CZ-CD2 4.04Å; F207-L281 HydrophobicContact CD2-CD2 4.46Å; F207-L281 HydrophobicContact CE2-CD2 4.46Å; L250-L281 HydrophobicContact CD1-CD1 4.04Å; L250-L281 HydrophobicContact CD2-CD1 3.93Å; L250-L281 HydrophobicContact CG-CD1 4.26Å; L251-L281 HydrophobicContact CD1-CB 3.98Å; L251-L281 HydrophobicContact CD1-CD1 4.45Å; W264-L281 HydrophobicContact CB-CD1 3.98Å; W264-L281 HydrophobicContact CD2-CD1 3.67Å; W264-L281 HydrophobicContact CD2-CD2 3.99Å; W264-L281 HydrophobicContact CD2-CG 3.86Å; W264-L281 HydrophobicContact CE3-CD1 3.63Å; W264-L281 HydrophobicContact CE3-CD2 4Å; W264-L281 HydrophobicContact CE3-CG 3.51Å; W264-L281 HydrophobicContact CG-CD1 3.89Å; W264-L281 HydrophobicContact CH2-CD2 3.51Å; W264-L281 HydrophobicContact CH2-CG 3.79Å; W264-L281 HydrophobicContact CZ2-CD2 3.52Å; W264-L281 HydrophobicContact CZ2-CG 4.14Å; W264-L281 HydrophobicContact CZ3-CD1 4.19Å; W264-L281 HydrophobicContact CZ3-CD2 3.82Å; W264-L281 HydrophobicContact CZ3-CG 3.51Å; C279-L281 PolarHBondContact O-N 3.46Å; C279-L281 VanDerWaalsContact O-N 3.12Å; L281-L283 PolarHBondContact O-N 2.82Å; L281-L283 VanDerWaalsContact O-N 3.07Å
282	E	85.2	Confident	80.7	Confident	10 Å²	10	53 Å²	53	5%	0.047	25%	0.25	C	S	.	.			trans	-89.4	53.9	-177.9	-60.3	179	175	0	0	111.2	L251 C279 P280 L284 R285 L286	L251-E282 HydrophobicContact CD2-CG 3.99Å; C279-E282 HydrophobicContact CB-CG 4.11Å; C279-E282 WeakPolarHBondContact O-CB 3.45Å; C279-E282 PolarHBondContact O-N 2.79Å; P280-E282 VanDerWaalsContact C-N 3.27Å; E282-L284 VanDerWaalsContact C-N 3.3Å; E282-L284 PolarHBondContact O-N 3.48Å; E282-R285 HydrophobicContact CB-CB 4.16Å; E282-R285 HydrophobicContact CB-CG 4.34Å; E282-R285 WeakPolarHBondContact O-CB 3.46Å; E282-R285 PolarHBondContact O-N 3.2Å; E282-R285 IonicContact OE1-CZ 2.79Å; E282-R285 IonicContact OE1-NH1 3.41Å; E282-R285 PolarHBondContact OE1-NH1 3.31Å; E282-R285 VanDerWaalsContact OE2-CD 3.31Å; E282-R285 WeakPolarHBondContact OE2-CD 3.5Å; E282-R285 IonicContact OE2-CZ 3.04Å; E282-R285 IonicContact OE2-NE 3.57Å; E282-R285 IonicContact OE2-NH1 2.93Å; E282-R285 PolarHBondContact OE2-NH1 2.91Å; E282-L286 PolarHBondContact O-N 3.08Å
283	L	80.8	Confident	80.1	Confident	11 Å²	11	53.4 Å²	53.4	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-54.2	-42.1	-173	-64.1	-179.3	0	0	0	113.7	T82 P152 P155 S157 P280 L281 R285 L286 R287	T82-L283 HydrophobicContact CG2-CB 4.22Å; P152-L283 HydrophobicContact CB-CD1 4.11Å; P152-L283 HydrophobicContact CB-CG 4.27Å; P155-L283 WeakPolarHBondContact O-CD2 3.47Å; S157-L283 VanDerWaalsContact O-CD1 3.28Å; S157-L283 WeakPolarHBondContact O-CD1 3.44Å; P280-L283 VanDerWaalsContact O-CD2 3.3Å; P280-L283 WeakPolarHBondContact O-CD2 3.34Å; L281-L283 PolarHBondContact O-N 2.82Å; L281-L283 VanDerWaalsContact O-N 3.07Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 3.06Å; L283-L286 HydrophobicContact CD2-CD1 4.4Å; L283-L286 WeakPolarHBondContact O-CB 3.46Å; L283-L286 PolarHBondContact O-N 3.44Å; L283-R287 PolarHBondContact O-N 2.83Å
284	L	79.2	Confident	79.6	Confident	12 Å²	12	50 Å²	50	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-36.2	179.5	-68.7	170.5	0	0	0	112.1	T82 L85 Y89 Y90 L96 Q150 I158 E282 R287 L288	T82-L284 HydrophobicContact CG2-CD2 4.26Å; L85-L284 HydrophobicContact CD2-CD2 3.65Å; Y89-L284 HydrophobicContact CD1-CD2 4.34Å; Y89-L284 HydrophobicContact CE1-CD1 3.97Å; Y89-L284 HydrophobicContact CE1-CD2 3.86Å; Y90-L284 HydrophobicContact CD1-CD2 4.42Å; Y90-L284 HydrophobicContact CE1-CB 4.41Å; Y90-L284 HydrophobicContact CE1-CD2 3.62Å; L96-L284 HydrophobicContact CB-CB 4.07Å; L96-L284 HydrophobicContact CD1-CB 4.13Å; L96-L284 HydrophobicContact CD2-CB 3.89Å; L96-L284 HydrophobicContact CD2-CD1 4.04Å; L96-L284 HydrophobicContact CG-CB 4.24Å; Q150-L284 VanDerWaalsContact OE1-CD1 3.31Å; I158-L284 HydrophobicContact CD1-CD1 4.04Å; I158-L284 HydrophobicContact CD1-CD2 3.45Å; I158-L284 VanDerWaalsContact CD1-CD2 3.45Å; I158-L284 HydrophobicContact CD1-CG 3.73Å; E282-L284 VanDerWaalsContact C-N 3.3Å; E282-L284 PolarHBondContact O-N 3.48Å; L284-R287 PolarHBondContact O-N 2.85Å; L284-L288 WeakPolarHBondContact O-CB 3.42Å; L284-L288 PolarHBondContact O-N 3.27Å
285	R	80.1	Confident	79	Confident	67 Å²	67	48.2 Å²	48.2	25%	0.253	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-45	174.5	-66.8	-176.3	-175.6	151	8.2	110.6	L96 N97 T278 E282 L283 R287 L288 D289	L96-R285 HydrophobicContact CB-CG 3.93Å; L96-R285 HydrophobicContact CD1-CB 4.43Å; L96-R285 HydrophobicContact CD1-CG 3.67Å; L96-R285 HydrophobicContact CG-CG 4.43Å; N97-R285 PolarHBondContact OD1-NH2 2.81Å; T278-R285 HydrophobicContact CG2-CB 3.72Å; E282-R285 HydrophobicContact CB-CB 4.16Å; E282-R285 HydrophobicContact CB-CG 4.34Å; E282-R285 WeakPolarHBondContact O-CB 3.46Å; E282-R285 PolarHBondContact O-N 3.2Å; E282-R285 IonicContact OE1-CZ 2.79Å; E282-R285 IonicContact OE1-NH1 3.41Å; E282-R285 PolarHBondContact OE1-NH1 3.31Å; E282-R285 VanDerWaalsContact OE2-CD 3.31Å; E282-R285 WeakPolarHBondContact OE2-CD 3.5Å; E282-R285 IonicContact OE2-CZ 3.04Å; E282-R285 IonicContact OE2-NE 3.57Å; E282-R285 IonicContact OE2-NH1 2.93Å; E282-R285 PolarHBondContact OE2-NH1 2.91Å; L283-R285 VanDerWaalsContact C-N 3.34Å; L283-R285 PolarHBondContact O-N 3.06Å; R285-R287 VanDerWaalsContact C-N 3.26Å; R285-R287 PolarHBondContact O-N 3.28Å; R285-L288 PolarHBondContact O-N 3.07Å; R285-D289 WeakPolarHBondContact O-CB 3.37Å; R285-D289 PolarHBondContact O-N 3.4Å
286	L	78	Confident	78.3	Confident	42 Å²	42	50.3 Å²	50.3	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-55.8	-40.5	175.5	-73.1	169.2	0	0	0	112.3	T278 E282 L283 R290	T278-L286 WeakPolarHBondContact OG1-CD2 3.24Å; E282-L286 PolarHBondContact O-N 3.08Å; L283-L286 HydrophobicContact CD2-CD1 4.4Å; L283-L286 WeakPolarHBondContact O-CB 3.46Å; L283-L286 PolarHBondContact O-N 3.44Å; L286-R290 VanDerWaalsContact O-CG 3.31Å; L286-R290 WeakPolarHBondContact O-CG 3.08Å; L286-R290 PolarHBondContact O-N 2.05Å
287	R	79.1	Confident	77.5	Confident	81 Å²	81	48 Å²	48	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-71.7	-45.5	178.5	-174.5	58.5	-179.1	-157.3	0.4	112.2	Y90 L283 L284 R285 D289 R290 E291	Y90-R287 HydrophobicContact CE1-CB 3.82Å; Y90-R287 HydrophobicContact CE1-CG 3.86Å; Y90-R287 HydrophobicContact CE2-CG 4.01Å; Y90-R287 VanDerWaalsContact CZ-CG 3.46Å; Y90-R287 WeakPolarHBondContact OH-CG 3.22Å; L283-R287 PolarHBondContact O-N 2.83Å; L284-R287 PolarHBondContact O-N 2.85Å; R285-R287 VanDerWaalsContact C-N 3.26Å; R285-R287 PolarHBondContact O-N 3.28Å; R287-D289 VanDerWaalsContact C-N 3.31Å; R287-D289 PolarHBondContact O-N 3.34Å; R287-R290 PolarHBondContact O-N 3.2Å; R287-E291 IonicContact NE-OE1 2.69Å; R287-E291 PolarHBondContact NE-OE1 3.03Å; R287-E291 IonicContact NH2-OE1 3.37Å; R287-E291 PolarHBondContact O-N 2.82Å
288	L	78.1	Confident	76.5	Confident	40 Å²	40	53.8 Å²	53.8	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-45.8	174.8	173.5	61.1	0	0	0	111.4	Y90 L96 L284 R285 R290 E291 I292	Y90-L288 HydrophobicContact CD1-CB 4.22Å; L96-L288 HydrophobicContact CD1-CD2 4.15Å; L284-L288 WeakPolarHBondContact O-CB 3.42Å; L284-L288 PolarHBondContact O-N 3.27Å; R285-L288 PolarHBondContact O-N 3.07Å; L288-R290 VanDerWaalsContact C-N 3.32Å; L288-R290 PolarHBondContact O-N 2.86Å; L288-E291 PolarHBondContact O-N 3.49Å; L288-E291 VanDerWaalsContact O-N 3.16Å; L288-I292 HydrophobicContact CD1-CD1 3.77Å; L288-I292 HydrophobicContact CD1-CG1 4.04Å; L288-I292 HydrophobicContact CG-CD1 3.88Å; L288-I292 WeakPolarHBondContact O-CG1 3.24Å; L288-I292 PolarHBondContact O-N 3.4Å
289	D	76.2	Confident	75.2	Confident	25 Å²	25	60.5 Å²	60.5	13%	0.134	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-42.1	178.7	-70.6	-22.7	0	0	0	112.1	R285 R287 K293 H316	R285-D289 WeakPolarHBondContact O-CB 3.37Å; R285-D289 PolarHBondContact O-N 3.4Å; R287-D289 VanDerWaalsContact C-N 3.31Å; R287-D289 PolarHBondContact O-N 3.34Å; D289-K293 WeakPolarHBondContact O-CB 3.42Å; D289-K293 WeakPolarHBondContact O-CD 3.06Å; D289-K293 WeakPolarHBondContact O-CG 3.39Å; D289-K293 PolarHBondContact O-N 3.12Å; D289-H316 IonicContact OD1-CD2 2.83Å; D289-H316 IonicContact OD1-NE2 3.32Å; D289-H316 IonicContact OD2-CD2 2.83Å; D289-H316 PolarHBondContact OD2-CD2 3.45Å; D289-H316 VanDerWaalsContact OD2-CD2 3.31Å
290	R	77.1	Confident	73.6	Confident	142 Å²	142	64.6 Å²	64.6	54%	0.536	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-42	176.4	-71.3	173.1	-170	173.1	5.4	111.4	L286 R287 L288 K293 N294	L286-R290 VanDerWaalsContact O-CG 3.31Å; L286-R290 WeakPolarHBondContact O-CG 3.08Å; L286-R290 PolarHBondContact O-N 2.05Å; R287-R290 PolarHBondContact O-N 3.2Å; L288-R290 VanDerWaalsContact C-N 3.32Å; L288-R290 PolarHBondContact O-N 2.86Å; R290-K293 PolarHBondContact O-N 2.87Å; R290-N294 WeakPolarHBondContact O-CB 3.48Å; R290-N294 PolarHBondContact O-N 3.43Å; R290-N294 PolarHBondContact O-OD1 3.35Å
291	E	74.9	Confident	71.9	Confident	31 Å²	31	72 Å²	72	15%	0.145	36%	0.355	C	S	.	.	H	α-helix	trans	-67.9	-39.9	179.2	-71.3	-169.3	-174	0	0	113.1	R287 L288 N294 K295	R287-E291 IonicContact NE-OE1 2.69Å; R287-E291 PolarHBondContact NE-OE1 3.03Å; R287-E291 IonicContact NH2-OE1 3.37Å; R287-E291 PolarHBondContact O-N 2.82Å; L288-E291 PolarHBondContact O-N 3.49Å; L288-E291 VanDerWaalsContact O-N 3.16Å; E291-N294 PolarHBondContact O-N 3.3Å; E291-K295 PolarHBondContact O-N 2.91Å; E291-K295 VanDerWaalsContact O-N 3.15Å
292	I	75.8	Confident	69.8	Low	93 Å²	93	80.2 Å²	80.2	48%	0.477	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-46.1	174.4	-67.3	169.7	0	0	0	110.1	L288 N294 K295 A296	L288-I292 HydrophobicContact CD1-CD1 3.77Å; L288-I292 HydrophobicContact CD1-CG1 4.04Å; L288-I292 HydrophobicContact CG-CD1 3.88Å; L288-I292 WeakPolarHBondContact O-CG1 3.24Å; L288-I292 PolarHBondContact O-N 3.4Å; I292-N294 PolarHBondContact O-N 2.06Å; I292-K295 PolarHBondContact O-N 2.95Å; I292-A296 PolarHBondContact O-N 2.96Å
293	K	74	Confident	67.4	Low	76 Å²	76	87.8 Å²	87.8	33%	0.33	43%	0.428	S	S	.	.	H	α-helix	trans	-59.7	-46.2	177.7	-75.3	170.7	-177.3	174.9	0	112.3	D289 R290 K295 A296 S297 H316	D289-K293 WeakPolarHBondContact O-CB 3.42Å; D289-K293 WeakPolarHBondContact O-CD 3.06Å; D289-K293 WeakPolarHBondContact O-CG 3.39Å; D289-K293 PolarHBondContact O-N 3.12Å; R290-K293 PolarHBondContact O-N 2.87Å; K293-K295 VanDerWaalsContact C-N 3.29Å; K293-K295 PolarHBondContact O-N 3.46Å; K293-A296 PolarHBondContact O-N 3.37Å; K293-S297 PolarHBondContact O-N 2.87Å; K293-S297 PolarHBondContact O-OG 3.35Å; K293-H316 PolarHBondContact NZ-O 2.87Å
294	N	75.2	Confident	65.2	Low	103 Å²	103	94.7 Å²	94.7	55%	0.551	47%	0.465	S	S	*	.	H	α-helix	trans	-63	-34	179.2	-70.5	-4.3	0	0	0	112.5	R290 E291 I292 S297 N298	R290-N294 WeakPolarHBondContact O-CB 3.48Å; R290-N294 PolarHBondContact O-N 3.43Å; R290-N294 PolarHBondContact O-OD1 3.35Å; E291-N294 PolarHBondContact O-N 3.3Å; I292-N294 PolarHBondContact O-N 2.06Å; N294-S297 WeakPolarHBondContact CA-OG 3.46Å; N294-S297 PolarHBondContact O-OG 2.9Å; N294-N298 PolarHBondContact O-N 3Å
295	K	69.3	Low	63.3	Low	98 Å²	98	99.8 Å²	99.8	43%	0.426	50%	0.497	S	S	.	.	H	α-helix	trans	-73.1	-38.9	174.1	-73.4	176.3	-174.7	165	0	112.4	E291 I292 K293 N298 K299	E291-K295 PolarHBondContact O-N 2.91Å; E291-K295 VanDerWaalsContact O-N 3.15Å; I292-K295 PolarHBondContact O-N 2.95Å; K293-K295 VanDerWaalsContact C-N 3.29Å; K293-K295 PolarHBondContact O-N 3.46Å; K295-N298 PolarHBondContact O-N 2.92Å; K295-K299 PolarHBondContact O-N 3.39Å
296	A	67	Low	61.4	Low	57 Å²	57	103.6 Å²	103.6	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-40.6	175.9	0	0	0	0	0	111.3	I292 K293 K299 S300	I292-A296 PolarHBondContact O-N 2.96Å; K293-A296 PolarHBondContact O-N 3.37Å; A296-K299 PolarHBondContact O-N 3.38Å; A296-S300 WeakPolarHBondContact O-CB 3.13Å; A296-S300 PolarHBondContact O-N 3.29Å; A296-S300 PolarHBondContact O-OG 3.4Å
297	S	63.9	Low	59.6	Low	54 Å²	54	112.6 Å²	112.6	38%	0.378	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-42.8	175.9	61.1	0	0	0	0	112.1	K293 N294 K299 S300	K293-S297 PolarHBondContact O-N 2.87Å; K293-S297 PolarHBondContact O-OG 3.35Å; N294-S297 WeakPolarHBondContact CA-OG 3.46Å; N294-S297 PolarHBondContact O-OG 2.9Å; S297-K299 VanDerWaalsContact C-N 3.32Å; S297-K299 PolarHBondContact O-N 2.86Å; S297-S300 WeakPolarHBondContact CA-OG 3.04Å; S297-S300 PolarHBondContact O-N 3.1Å; S297-S300 VanDerWaalsContact O-N 3.15Å; S297-S300 PolarHBondContact O-OG 2.85Å
298	N	61.2	Low	57.7	Low	130 Å²	130	116.4 Å²	116.4	70%	0.695	58%	0.579	S	S	*	*	H	α-helix	trans	-66.8	-32.6	177.5	-73.6	1.9	0	0	0	112.6	N294 K295	N294-N298 PolarHBondContact O-N 3Å; K295-N298 PolarHBondContact O-N 2.92Å
299	K	53.7	Low	55.6	Low	168 Å²	168	125.8 Å²	125.8	73%	0.73	61%	0.612	S	S	*	*	H	α-helix	trans	-73.8	-31.8	171.1	-77.6	-173.6	176.2	-174.5	0	112.7	K295 A296 S297 F301 F302	K295-K299 PolarHBondContact O-N 3.39Å; A296-K299 PolarHBondContact O-N 3.38Å; S297-K299 VanDerWaalsContact C-N 3.32Å; S297-K299 PolarHBondContact O-N 2.86Å; K299-F301 PolarHBondContact O-N 3.36Å; K299-F302 CarbonylContact O-C 3.51Å; K299-F302 VanDerWaalsContact O-C 3.29Å; K299-F302 PolarHBondContact O-N 2.86Å
300	S	49.5	Very low	53.6	Low	87 Å²	87	130.8 Å²	130.8	61%	0.608	63%	0.634	S	S	*	*	H	α-helix	trans	-69.9	-8.7	-179.3	69.1	0	0	0	0	115	A296 S297	A296-S300 WeakPolarHBondContact O-CB 3.13Å; A296-S300 PolarHBondContact O-N 3.29Å; A296-S300 PolarHBondContact O-OG 3.4Å; S297-S300 WeakPolarHBondContact CA-OG 3.04Å; S297-S300 PolarHBondContact O-N 3.1Å; S297-S300 VanDerWaalsContact O-N 3.15Å; S297-S300 PolarHBondContact O-OG 2.85Å
301	F	45.1	Very low	51.6	Low	181 Å²	181	133.1 Å²	133.1	79%	0.794	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-17.5	167.1	-117	-87.7	0	0	0	113	K299	K299-F301 PolarHBondContact O-N 3.36Å
302	F	42.3	Very low	49.6	Very low	176 Å²	176	142.7 Å²	142.7	77%	0.772	69%	0.688	S	S	*	*	S	Bend	trans	-134.3	92.2	174.8	-77.1	-88	0	0	0	109.3	K299	K299-F302 CarbonylContact O-C 3.51Å; K299-F302 VanDerWaalsContact O-C 3.29Å; K299-F302 PolarHBondContact O-N 2.86Å
303	M	34	Very low	47.6	Very low	170 Å²	170	147.6 Å²	147.6	84%	0.837	70%	0.7	S	S	*	*			trans	149.6	93.2	148.8	-78.3	-60.9	-140.2	0	0	110
304	N	36.5	Very low	46.2	Very low	155 Å²	155	147 Å²	147	83%	0.829	71%	0.706	S	S	*	*			trans	-56.4	153.5	137	-126.9	-16.4	0	0	0	107.8
305	V	39.3	Very low	44.6	Very low	120 Å²	120	149 Å²	149	73%	0.727	71%	0.712	S	S	*	*			trans	90.2	80.7	-178.8	-164.4	0	0	0	0	114.5
306	D	38.3	Very low	43.8	Very low	146 Å²	146	147.8 Å²	147.8	78%	0.781	71%	0.707	S	S	*	*				175.3	114	115.9	-93.5	-26.4	0	0	0	111.1	N308	D306-N308 PolarHBondContact O-N 3.15Å
307	R	41.6	Very low	43.2	Very low	231 Å²	231	153.5 Å²	153.5	87%	0.872	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	0.7	-173.1	-84	-174.2	178.8	-173.3	0.8	115.4
308	N	38.5	Very low	43.3	Very low	162 Å²	162	152.2 Å²	152.2	87%	0.866	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	14.8	-172.6	-75.1	-6.1	0	0	0	116.4	D306	D306-N308 PolarHBondContact O-N 3.15Å
309	R	33.5	Very low	43.5	Very low	236 Å²	236	148.5 Å²	148.5	89%	0.891	69%	0.691	S	S	*	*			trans	-112.6	55.8	165.5	-84.1	-175.4	174.4	170.8	0.2	112.1
310	Q	35.1	Very low	44.1	Very low	130 Å²	130	144.3 Å²	144.3	61%	0.607	68%	0.681	S	S	*	*			trans	-93.1	-3	171.9	-86	-178.2	-16.5	0	0	114.9
311	H	35.2	Very low	44.9	Very low	192 Å²	192	147.1 Å²	147.1	89%	0.889	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-0.8	179	-85.4	-63.1	0	0	0	116.5
312	Y	32	Very low	46.1	Very low	232 Å²	232	139.3 Å²	139.3	91%	0.91	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.4	27.4	171.7	-102.1	-88	0	0	0	112.9	S314	Y312-S314 VanDerWaalsContact C-N 3.31Å; Y312-S314 PolarHBondContact O-N 3.11Å
313	R	34.4	Very low	47	Very low	195 Å²	195	136.4 Å²	136.4	74%	0.736	65%	0.646	S	S	*	*	S	Bend	trans	-68	98.2	159.9	-98.1	-175.7	176.4	176.6	-1.4	107.1	Q315	R313-Q315 PolarHBondContact O-N 2.83Å
314	S	45.2	Very low	48	Very low	64 Å²	64	132.3 Å²	132.3	45%	0.448	63%	0.627	S	S	.	*			trans	-36.1	105.2	169.2	56.2	0	0	0	0	110.5	Y312 H316	Y312-S314 VanDerWaalsContact C-N 3.31Å; Y312-S314 PolarHBondContact O-N 3.11Å; S314-H316 WeakPolarHBondContact CA-ND1 3.46Å; S314-H316 WeakPolarHBondContact CB-ND1 3.37Å; S314-H316 PolarHBondContact O-N 3.45Å
315	Q	41.1	Very low	48.6	Very low	146 Å²	146	131.9 Å²	131.9	68%	0.682	63%	0.625	S	S	*	*			trans	-66.3	34.3	170.6	-72.8	177.6	-23.6	0	0	112.1	R313 Y317	R313-Q315 PolarHBondContact O-N 2.83Å; Q315-Y317 PolarHBondContact O-N 2.03Å
316	H	51.8	Low	48.8	Very low	71 Å²	71	136 Å²	136	33%	0.329	63%	0.629	S	S	.	*			trans	-100.2	25.4	-166.6	-64.7	61.6	0	0	0	112.1	D289 K293 S314	D289-H316 IonicContact OD1-CD2 2.83Å; D289-H316 IonicContact OD1-NE2 3.32Å; D289-H316 IonicContact OD2-CD2 2.83Å; D289-H316 PolarHBondContact OD2-CD2 3.45Å; D289-H316 VanDerWaalsContact OD2-CD2 3.31Å; K293-H316 PolarHBondContact NZ-O 2.87Å; S314-H316 WeakPolarHBondContact CA-ND1 3.46Å; S314-H316 WeakPolarHBondContact CB-ND1 3.37Å; S314-H316 PolarHBondContact O-N 3.45Å
317	Y	54.9	Low	49.3	Very low	178 Å²	178	139.1 Å²	139.1	70%	0.698	63%	0.63	S	S	*	*	S	Bend	trans	-90.4	105.5	160.7	-168.8	-95.2	0	0	0	106.1	Q315 P319	Q315-Y317 PolarHBondContact O-N 2.03Å; Y317-P319 WeakPolarHBondContact O-CD 3.08Å; Y317-P319 VanDerWaalsContact O-N 3.15Å
318	C	66.9	Low	49.7	Very low	27 Å²	27	131.1 Å²	131.1	18%	0.182	60%	0.603	C	S	.	*			trans	-60.2	121	175.4	-168.2	0	0	0	0	108.1	C277 C322	C277-C318 HydrophobicContact CB-CB 4.25Å; C277-C318 WeakPolarHBondContact SG-CA 3.46Å; C277-C318 VanDerWaalsContact SG-CB 3.54Å; C277-C318 PolarHBondContact SG-SG 3.02Å; C318-C322 WeakPolarHBondContact SG-CB 3.43Å
319	P	65.5	Low	50.2	Low	51 Å²	51	125.8 Å²	125.8	33%	0.331	58%	0.581	S	S	.	*			trans	-51.4	139.2	178.6	-24.4	32.2	0	0	0	109.1	Y317 N321 C322 Q323	Y317-P319 WeakPolarHBondContact O-CD 3.08Å; Y317-P319 VanDerWaalsContact O-N 3.15Å; P319-N321 PolarHBondContact O-N 2.99Å; P319-C322 WeakPolarHBondContact O-CA 3.2Å; P319-C322 WeakPolarHBondContact O-CB 3.36Å; P319-C322 PolarHBondContact O-N 3.33Å; P319-Q323 PolarHBondContact O-N 2.77Å
320	P	64.9	Low	51.3	Low	80 Å²	80	121.9 Å²	121.9	52%	0.519	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-56.4	-28.5	178.1	22.4	-31.9	0	0	0	111.7	C322 Q323	P320-C322 PolarHBondContact O-N 3.43Å; P320-Q323 WeakPolarHBondContact O-CB 3.36Å; P320-Q323 PolarHBondContact O-N 2.85Å; P320-Q323 VanDerWaalsContact O-N 3.08Å
321	N	67.7	Low	52.5	Low	147 Å²	147	117 Å²	117	79%	0.786	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-62.7	-20.8	173.9	-59.7	-1.9	0	0	0	114	P319	P319-N321 PolarHBondContact O-N 2.99Å
322	C	68.9	Low	54.1	Low	17 Å²	17	112.9 Å²	112.9	12%	0.115	53%	0.534	C	S	.	.	G	3₁₀ helix	trans	-96.8	-11.4	176.9	-67.1	0	0	0	0	112.8	Y271 C275 C318 P319 P320 L324	Y271-C322 PolarHBondContact OH-O 3.07Å; Y271-C322 VanDerWaalsContact OH-O 3.06Å; C275-C322 HydrophobicContact CB-CB 3.82Å; C275-C322 WeakPolarHBondContact CB-SG 3.26Å; C275-C322 WeakPolarHBondContact SG-CB 3.37Å; C275-C322 CovalentContact SG-SG 2.03Å; C275-C322 PolarHBondContact SG-SG 3.48Å; C318-C322 WeakPolarHBondContact SG-CB 3.43Å; P319-C322 WeakPolarHBondContact O-CA 3.2Å; P319-C322 WeakPolarHBondContact O-CB 3.36Å; P319-C322 PolarHBondContact O-N 3.33Å; P320-C322 PolarHBondContact O-N 3.43Å; C322-L324 PolarHBondContact O-N 3.36Å
323	Q	61.7	Low	56.1	Low	114 Å²	114	106.1 Å²	106.1	53%	0.533	51%	0.514	S	S	.	.			trans	-72.2	78.8	172.1	-62.3	179	4	0	0	108.4	P319 P320 D325	P319-Q323 PolarHBondContact O-N 2.77Å; P320-Q323 WeakPolarHBondContact O-CB 3.36Å; P320-Q323 PolarHBondContact O-N 2.85Å; P320-Q323 VanDerWaalsContact O-N 3.08Å; Q323-D325 PolarHBondContact O-N 3.07Å
324	L	54.9	Low	58.1	Low	84 Å²	84	101.2 Å²	101.2	44%	0.44	51%	0.51	S	S	.	.			trans	-55.8	128.1	160.1	-79.6	151.1	0	0	0	106.7	Y271 C322 Y326	Y271-L324 HydrophobicContact CE2-CD1 4.32Å; C322-L324 PolarHBondContact O-N 3.36Å; L324-Y326 PolarHBondContact O-N 3.32Å; L324-Y326 VanDerWaalsContact O-N 3.17Å
325	D	48.9	Very low	60	Low	146 Å²	146	103 Å²	103	78%	0.781	51%	0.513	S	S	*	.			trans	-42.6	127.8	168	-98.7	-35.5	0	0	0	107.9	Q323 R327	Q323-D325 PolarHBondContact O-N 3.07Å; D325-R327 CarbonylContact O-C 3.3Å; D325-R327 VanDerWaalsContact O-C 3.31Å; D325-R327 PolarHBondContact O-N 3.02Å
326	Y	44.2	Very low	62.2	Low	207 Å²	207	96 Å²	96	81%	0.812	48%	0.48	S	S	*	.	S	Bend	trans	-52.6	-9.5	-173.1	-85.4	-94	0	0	0	115.5	L324 M328	L324-Y326 PolarHBondContact O-N 3.32Å; L324-Y326 VanDerWaalsContact O-N 3.17Å; Y326-M328 PolarHBondContact O-N 3.04Å
327	R	48.8	Very low	63.9	Low	212 Å²	212	94 Å²	94	80%	0.8	47%	0.473	S	S	*	.			trans	-67.4	106.8	163.9	-48.8	-162	-163.2	-154.2	6.5	105.4	D325 A329	D325-R327 CarbonylContact O-C 3.3Å; D325-R327 VanDerWaalsContact O-C 3.31Å; D325-R327 PolarHBondContact O-N 3.02Å; R327-A329 HydrophobicContact CB-CB 3.57Å; R327-A329 WeakPolarHBondContact O-CB 3.45Å; R327-A329 PolarHBondContact O-N 3.3Å
328	M	49.8	Very low	65.5	Low	63 Å²	63	87.8 Å²	87.8	31%	0.31	45%	0.452	S	S	.	.			trans	-61.2	35.2	168.6	-58.1	157	-165.4	0	0	111.7	W264 Y326 F330	W264-M328 HydrophobicContact CH2-CE 3.09Å; W264-M328 HydrophobicContact CH2-CG 4.22Å; W264-M328 HydrophobicContact CH2-SD 3.46Å; W264-M328 WeakPolarHBondContact CH2-SD 3.22Å; W264-M328 HydrophobicContact CZ2-CE 3.2Å; W264-M328 HydrophobicContact CZ2-CG 4.24Å; W264-M328 HydrophobicContact CZ2-SD 3.05Å; W264-M328 WeakPolarHBondContact CZ2-SD 3.48Å; W264-M328 HydrophobicContact CZ3-CE 4.16Å; W264-M328 HydrophobicContact CZ3-SD 4.31Å; Y326-M328 PolarHBondContact O-N 3.04Å; M328-F330 PolarHBondContact O-N 3.3Å
329	A	49.6	Very low	66.6	Low	49 Å²	49	86.6 Å²	86.6	41%	0.405	44%	0.444	S	S	.	.			trans	-84.9	103.9	-159.2	0	0	0	0	0	107.1	R327	R327-A329 HydrophobicContact CB-CB 3.57Å; R327-A329 WeakPolarHBondContact O-CB 3.45Å; R327-A329 PolarHBondContact O-N 3.3Å
330	F	55.9	Low	67.9	Low	155 Å²	155	85.2 Å²	85.2	68%	0.68	44%	0.436	S	S	*	.			trans	64.8	71.6	154.9	-43.9	-72	0	0	0	113.3	F210 M328 N332	F210-F330 HydrophobicContact CE1-CE1 4.2Å; M328-F330 PolarHBondContact O-N 3.3Å; F330-N332 PolarHBondContact O-N 3.09Å
331	V	59.9	Low	69.1	Low	28 Å²	28	86.4 Å²	86.4	17%	0.17	43%	0.43	C	S	.	.			trans	-53.7	133.7	149.1	-177.7	0	0	0	0	106.8	Q263 T266 N333 I335 C336	Q263-V331 HydrophobicContact CB-CG2 4.06Å; Q263-V331 HydrophobicContact CG-CB 3.9Å; Q263-V331 HydrophobicContact CG-CG2 3.81Å; T266-V331 HydrophobicContact CG2-CG1 4.35Å; V331-N333 PolarHBondContact O-N 3.47Å; V331-I335 HydrophobicContact CG1-CB 3.67Å; V331-I335 HydrophobicContact CG1-CD1 3.93Å; V331-I335 HydrophobicContact CG1-CG1 4.39Å; V331-I335 HydrophobicContact CG1-CG2 3.75Å; V331-C336 HydrophobicContact CG1-CB 4.46Å
332	N	69.9	Low	70.1	Confident	104 Å²	104	80.1 Å²	80.1	56%	0.556	40%	0.397	S	S	*	.			trans	-51.4	139.6	-178.1	-168.2	-11	0	0	0	110.7	F330 S334 I335 C336	F330-N332 PolarHBondContact O-N 3.09Å; N332-S334 PolarHBondContact ND2-OG 3.4Å; N332-S334 PolarHBondContact O-N 3.18Å; N332-S334 PolarHBondContact OD1-N 3.31Å; N332-I335 PolarHBondContact O-N 2.89Å; N332-C336 PolarHBondContact O-N 2.89Å; N332-C336 VanDerWaalsContact O-N 3.11Å
333	N	74.4	Confident	71.1	Confident	91 Å²	91	79.7 Å²	79.7	49%	0.487	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.2	176.8	-69.6	-5.9	0	0	0	112.7	Q259 V331 C336 P337	Q259-N333 PolarHBondContact NE2-OD1 3.17Å; V331-N333 PolarHBondContact O-N 3.47Å; N333-C336 WeakPolarHBondContact CA-O 3.45Å; N333-C336 CarbonylContact O-C 3.08Å; N333-P337 VanDerWaalsContact O-CA 3.31Å; N333-P337 WeakPolarHBondContact O-CA 3.31Å
334	S	76.6	Confident	72.5	Confident	91 Å²	91	76 Å²	76	64%	0.636	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-32	172.3	60.3	0	0	0	0	113.9	N332	N332-S334 PolarHBondContact ND2-OG 3.4Å; N332-S334 PolarHBondContact O-N 3.18Å; N332-S334 PolarHBondContact OD1-N 3.31Å
335	I	83.5	Confident	74.3	Confident	101 Å²	101	72.3 Å²	72.3	52%	0.518	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-45	179.9	-60.1	164.1	0	0	0	109.6	T266 V331 N332 P337	T266-I335 HydrophobicContact CG2-CG2 4.08Å; V331-I335 HydrophobicContact CG1-CB 3.67Å; V331-I335 HydrophobicContact CG1-CD1 3.93Å; V331-I335 HydrophobicContact CG1-CG1 4.39Å; V331-I335 HydrophobicContact CG1-CG2 3.75Å; N332-I335 PolarHBondContact O-N 2.89Å; I335-P337 WeakPolarHBondContact O-CD 3.35Å
336	C	88.1	Confident	76.3	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	-117.5	87.6	176.1	-73	0	0	0	0	109.9	Q259 C262 Q263 V331 N332 N333	Q259-C336 HydrophobicContact CG-CB 4.45Å; Q259-C336 PolarHBondContact NE2-O 2.98Å; C262-C336 HydrophobicContact CB-CB 3.78Å; C262-C336 WeakPolarHBondContact CB-SG 3.47Å; C262-C336 WeakPolarHBondContact SG-CA 2.94Å; C262-C336 WeakPolarHBondContact SG-CB 3.26Å; C262-C336 CovalentContact SG-SG 2.06Å; C262-C336 PolarHBondContact SG-SG 3Å; Q263-C336 HydrophobicContact CG-CB 4.47Å; V331-C336 HydrophobicContact CG1-CB 4.46Å; N332-C336 PolarHBondContact O-N 2.89Å; N332-C336 VanDerWaalsContact O-N 3.11Å; N333-C336 WeakPolarHBondContact CA-O 3.45Å; N333-C336 CarbonylContact O-C 3.08Å
337	P	88.1	Confident	78.6	Confident	28 Å²	28	64.9 Å²	64.9	18%	0.182	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-63.2	170.3	176.1	26.2	-34.1	0	0	0	111.9	T244 Y257 N333 I335	T244-P337 HydrophobicContact CG2-CG 3.72Å; Y257-P337 WeakPolarHBondContact CE1-O 3.39Å; Y257-P337 WeakPolarHBondContact OH-CD 3.35Å; Y257-P337 PolarHBondContact OH-O 3.04Å; N333-P337 VanDerWaalsContact O-CA 3.31Å; N333-P337 WeakPolarHBondContact O-CA 3.31Å; I335-P337 WeakPolarHBondContact O-CD 3.35Å
338	L	88.4	Confident	80.5	Confident	48 Å²	48	58.5 Å²	58.5	25%	0.251	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	149.7	178.5	-67	158.7	0	0	0	110.3	R235 C243 T244	R235-L338 VanDerWaalsContact NH1-CD2 3.33Å; C243-L338 CarbonylContact C-O 3.52Å; C243-L338 WeakPolarHBondContact CA-O 3.21Å; C243-L338 WeakPolarHBondContact CB-O 3.48Å; T244-L338 PolarHBondContact N-O 2.77Å
339	A	90	Very high	82.6	Confident	2 Å²	2	60.9 Å²	60.9	2%	0.017	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	138.6	173.9	0	0	0	0	0	110.4	T244 Y257 R341 T342	T244-A339 WeakPolarHBondContact O-CA 3.31Å; Y257-A339 HydrophobicContact CD1-CB 3.67Å; Y257-A339 HydrophobicContact CE1-CB 4.15Å; A339-R341 VanDerWaalsContact C-N 3.25Å; A339-R341 PolarHBondContact O-N 2.84Å; A339-T342 HydrophobicContact CB-CG2 3.76Å
340	C	91.3	Very high	84.7	Confident	23 Å²	23	63.7 Å²	63.7	16%	0.155	32%	0.324	C	S	.	.	S	Bend	trans	-70.1	-24.9	175.2	-65.8	0	0	0	0	112.5	K234 R235 C243 T244	K234-C340 CarbonylContact C-O 3.55Å; K234-C340 WeakPolarHBondContact CA-O 3.31Å; R235-C340 PolarHBondContact N-O 2.69Å; C243-C340 HydrophobicContact CB-CB 3.95Å; C243-C340 WeakPolarHBondContact CB-SG 3.26Å; C243-C340 PolarHBondContact O-SG 3.32Å; C243-C340 WeakPolarHBondContact SG-CA 3.39Å; C243-C340 WeakPolarHBondContact SG-CB 3.5Å; C243-C340 CovalentContact SG-SG 2.05Å; C243-C340 PolarHBondContact SG-SG 3.25Å; T244-C340 PolarHBondContact N-SG 3.4Å; T244-C340 PolarHBondContact O-N 3.37Å
341	R	90.4	Very high	86.4	Confident	105 Å²	105	59.5 Å²	59.5	40%	0.396	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.6	173.8	179.2	-178.7	175.1	-99.5	-5.7	107	E201 I232 T233 A339	E201-R341 IonicContact OE1-CZ 2.82Å; E201-R341 IonicContact OE1-NH1 3.59Å; E201-R341 IonicContact OE1-NH2 3.8Å; E201-R341 PolarHBondContact OE1-NH2 2.76Å; I232-R341 HydrophobicContact CG2-CG 4.25Å; T233-R341 WeakPolarHBondContact O-CA 3.41Å; A339-R341 VanDerWaalsContact C-N 3.25Å; A339-R341 PolarHBondContact O-N 2.84Å
342	T	89.3	Confident	88	Confident	14 Å²	14	62.5 Å²	62.5	9%	0.086	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.4	173.3	55.4	0	0	0	0	109.3	T233 A339	T233-T342 VanDerWaalsContact CB-OG1 3.3Å; T233-T342 WeakPolarHBondContact CB-OG1 3.41Å; T233-T342 PolarHBondContact N-O 3.11Å; T233-T342 PolarHBondContact O-N 3.32Å; A339-T342 HydrophobicContact CB-CG2 3.76Å
343	V	89.7	Confident	89	Confident	9 Å²	9	61 Å²	61	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.2	174.4	-179.1	0	0	0	0	108.4	E201 K230 S231 I232 Y345	E201-V343 HydrophobicContact CB-CB 4.27Å; E201-V343 HydrophobicContact CB-CG1 4.48Å; E201-V343 HydrophobicContact CG-CB 4.19Å; E201-V343 HydrophobicContact CG-CG1 4.49Å; E201-V343 HydrophobicContact CG-CG2 4.01Å; K230-V343 HydrophobicContact CD-CG1 4.32Å; K230-V343 HydrophobicContact CG-CG1 3.96Å; S231-V343 WeakPolarHBondContact O-CA 3.32Å; I232-V343 HydrophobicContact CG1-CG2 4.26Å; V343-Y345 HydrophobicContact CG1-CD2 4.3Å; V343-Y345 HydrophobicContact CG1-CE2 3.68Å
344	T	90.9	Very high	89.6	Confident	37 Å²	37	63.5 Å²	63.5	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.2	174.8	72	0	0	0	0	110.4	R212 K230 S231	R212-T344 HydrophobicContact CB-CG2 3.89Å; R212-T344 HydrophobicContact CG-CG2 3.65Å; R212-T344 CarbonylContact O-C 3.52Å; R212-T344 WeakPolarHBondContact O-CA 3.04Å; K230-T344 CarbonylContact C-O 3.54Å; K230-T344 WeakPolarHBondContact CA-O 3.3Å; S231-T344 PolarHBondContact N-O 3.22Å; S231-T344 PolarHBondContact O-N 2.91Å; S231-T344 PolarHBondContact OG-OG1 3.45Å
345	Y	91.9	Very high	89.9	Confident	6 Å²	6	61.4 Å²	61.4	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.2	174.6	-67.1	-96	0	0	0	107	P71 E201 R212 Y213 Y228 S229 K230 V343	P71-Y345 HydrophobicContact CB-CE1 3.89Å; E201-Y345 HydrophobicContact CB-CE2 4.37Å; E201-Y345 PolarHBondContact OE2-OH 3Å; R212-Y345 WeakPolarHBondContact O-CB 3Å; R212-Y345 PolarHBondContact O-N 3.36Å; Y213-Y345 HydrophobicContact CD1-CD2 4.09Å; Y228-Y345 AromaticContact CD2-CD1 3.64Å; Y228-Y345 HydrophobicContact CD2-CD1 3.64Å; Y228-Y345 HydrophobicContact CD2-CE1 4.34Å; Y228-Y345 AromaticContact CE2-CD1 3.53Å; Y228-Y345 HydrophobicContact CE2-CD1 3.53Å; Y228-Y345 AromaticContact CE2-CE1 3.76Å; Y228-Y345 HydrophobicContact CE2-CE1 3.76Å; S229-Y345 WeakPolarHBondContact O-CA 3.28Å; K230-Y345 HydrophobicContact CB-CE1 4.41Å; K230-Y345 HydrophobicContact CD-CE1 4.14Å; K230-Y345 HydrophobicContact CG-CE1 4.2Å; K230-Y345 PolarHBondContact NZ-OH 3.34Å; K230-Y345 VanDerWaalsContact NZ-OH 3.16Å; V343-Y345 HydrophobicContact CG1-CD2 4.3Å; V343-Y345 HydrophobicContact CG1-CE2 3.68Å
346	K	91.2	Very high	89.6	Confident	137 Å²	137	63.6 Å²	63.6	60%	0.596	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	121	176.9	-178	-179.8	178.5	-176.2	0	108.8	Y228 S229 L348	Y228-K346 CarbonylContact C-O 3.44Å; Y228-K346 VanDerWaalsContact CA-O 3.28Å; Y228-K346 WeakPolarHBondContact CA-O 3.36Å; Y228-K346 WeakPolarHBondContact CB-O 3.3Å; S229-K346 PolarHBondContact N-O 2.84Å; S229-K346 PolarHBondContact O-N 3.4Å; K346-L348 PolarHBondContact O-N 2.91Å
347	K	92	Very high	89.4	Confident	59 Å²	59	67.3 Å²	67.3	26%	0.257	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.7	169.2	-168.5	169.8	-173.8	171.5	0	109	L214 E216 I226 E350	L214-K347 HydrophobicContact CD2-CB 4.09Å; E216-K347 VanDerWaalsContact CD-NZ 3.25Å; E216-K347 WeakPolarHBondContact OE1-CD 3.37Å; E216-K347 WeakPolarHBondContact OE1-CE 3.38Å; E216-K347 IonicContact OE1-NZ 2.85Å; E216-K347 PolarHBondContact OE1-NZ 3.45Å; E216-K347 IonicContact OE2-NZ 3.83Å; E216-K347 PolarHBondContact OE2-NZ 3.01Å; I226-K347 HydrophobicContact CG2-CD 4.48Å; I226-K347 HydrophobicContact CG2-CG 3.98Å; K347-E350 VanDerWaalsContact CE-CD 3.48Å; K347-E350 VanDerWaalsContact CE-OE2 3.25Å; K347-E350 WeakPolarHBondContact CE-OE2 3.47Å; K347-E350 IonicContact NZ-OE1 3.72Å; K347-E350 IonicContact NZ-OE2 3.94Å; K347-E350 PolarHBondContact NZ-OE2 2.66Å
348	L	90.5	Very high	89.4	Confident	79 Å²	79	74.3 Å²	74.3	41%	0.414	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-54.2	176.4	-60.1	178.5	0	0	0	109.8	F227 K346 A368	F227-L348 HydrophobicContact CB-CB 4.36Å; F227-L348 WeakPolarHBondContact O-CA 3.04Å; F227-L348 WeakPolarHBondContact O-CB 3.45Å; F227-L348 PolarHBondContact O-N 3.34Å; K346-L348 PolarHBondContact O-N 2.91Å; L348-A368 HydrophobicContact CD1-CB 4.17Å
349	N	92.4	Very high	89.5	Confident	112 Å²	112	73 Å²	73	60%	0.599	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.2	179.6	-76.4	-27.6	0	0	0	110.2	F227	F227-N349 HydrophobicContact CB-CB 4.19Å; F227-N349 HydrophobicContact CD2-CB 4.01Å; F227-N349 HydrophobicContact CG-CB 4.45Å; F227-N349 PolarHBondContact N-O 3.01Å; F227-N349 PolarHBondContact O-N 3.23Å
350	E	93.3	Very high	89.6	Confident	109 Å²	109	73.3 Å²	73.3	51%	0.509	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148	169.7	63.9	-175.4	152.2	0	0	111.3	L224 N225 K347	L224-E350 HydrophobicContact CD1-CB 4.2Å; N225-E350 CarbonylContact O-C 3.6Å; N225-E350 VanDerWaalsContact O-CA 3.25Å; N225-E350 WeakPolarHBondContact O-CA 3.35Å; K347-E350 VanDerWaalsContact CE-CD 3.48Å; K347-E350 VanDerWaalsContact CE-OE2 3.25Å; K347-E350 WeakPolarHBondContact CE-OE2 3.47Å; K347-E350 IonicContact NZ-OE1 3.72Å; K347-E350 IonicContact NZ-OE2 3.94Å; K347-E350 PolarHBondContact NZ-OE2 2.66Å
351	V	93.4	Very high	89.8	Confident	66 Å²	66	72.2 Å²	72.2	40%	0.4	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127	171.1	-177.8	0	0	0	0	107	N225 F227	N225-V351 HydrophobicContact CB-CB 4.25Å; N225-V351 PolarHBondContact N-O 3.19Å; N225-V351 PolarHBondContact O-N 3.37Å; F227-V351 HydrophobicContact CE2-CG2 4.31Å
352	L	92.5	Very high	90	Very high	91 Å²	91	70.1 Å²	70.1	48%	0.476	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.6	-178.2	178.3	68.2	0	0	0	109.3	L224	L224-L352 HydrophobicContact CB-CD1 4.45Å; L224-L352 HydrophobicContact CD1-CB 4.34Å; L224-L352 HydrophobicContact CD1-CD1 4.18Å
353	D	90.6	Very high	90.3	Very high	73 Å²	73	69.5 Å²	69.5	39%	0.39	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.6	173.9	-61.6	-46.5	0	0	0	109.9	S222 L223 N225	S222-D353 CarbonylContact C-O 3.53Å; S222-D353 WeakPolarHBondContact CA-O 3.23Å; L223-D353 HydrophobicContact CB-CB 4.09Å; L223-D353 HydrophobicContact CD2-CB 4.22Å; L223-D353 PolarHBondContact N-O 2.82Å; L223-D353 PolarHBondContact O-N 3.45Å; N225-D353 PolarHBondContact ND2-OD2 3.25Å
354	N	87.4	Confident	90.6	Very high	143 Å²	143	71.4 Å²	71.4	77%	0.765	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	126.4	177.1	-71	-25.7	0	0	0	110.1
355	I	82.3	Confident	90.7	Very high	48 Å²	48	69.7 Å²	69.7	25%	0.246	35%	0.352	C	S	.	.			trans	-94	150.7	170.1	-50.3	165	0	0	0	108.2	G221 L223 D357 Q362	G221-I355 CarbonylContact O-C 3.6Å; G221-I355 WeakPolarHBondContact O-CA 3.33Å; G221-I355 PolarHBondContact O-N 3.44Å; L223-I355 HydrophobicContact CB-CD1 3.85Å; L223-I355 HydrophobicContact CB-CG1 3.87Å; I355-D357 VanDerWaalsContact C-N 3.3Å; I355-D357 HydrophobicContact CG2-CB 4.48Å; I355-D357 PolarHBondContact O-N 3.42Å; I355-Q362 HydrophobicContact CD1-CB 3.94Å; I355-Q362 HydrophobicContact CD1-CG 3.76Å
356	T	77.7	Confident	90.8	Very high	146 Å²	146	70.6 Å²	70.6	90%	0.896	36%	0.357	S	S	*	.	S	Bend	trans	-69.7	-24.9	177.8	50.3	0	0	0	0	113.8
357	D	85	Confident	90.6	Very high	79 Å²	79	64.9 Å²	64.9	42%	0.422	33%	0.332	S	S	.	.			trans	-93	102.7	-171.7	-172.1	0.9	0	0	0	113	G221 I355 S359 A360	G221-D357 WeakPolarHBondContact CA-O 3.28Å; I355-D357 VanDerWaalsContact C-N 3.3Å; I355-D357 HydrophobicContact CG2-CB 4.48Å; I355-D357 PolarHBondContact O-N 3.42Å; D357-S359 PolarHBondContact O-N 3Å; D357-S359 VanDerWaalsContact OD1-CB 3.24Å; D357-S359 WeakPolarHBondContact OD1-CB 3.43Å; D357-S359 PolarHBondContact OD1-N 3.49Å; D357-S359 PolarHBondContact OD1-OG 2.8Å; D357-S359 PolarHBondContact OD2-OG 3.28Å; D357-A360 PolarHBondContact O-N 2.87Å
358	R	87.7	Confident	90.2	Very high	175 Å²	175	63.6 Å²	63.6	66%	0.66	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.2	177.9	-66.6	-175.2	175.9	-177.5	-0.1	114.6	T190 L191 P220 A360	T190-R358 HydrophobicContact CG2-CB 3.89Å; L191-R358 PolarHBondContact N-O 3.3Å; P220-R358 HydrophobicContact CB-CB 4.43Å; R358-A360 VanDerWaalsContact C-N 3.3Å
359	S	89.6	Confident	89.5	Confident	20 Å²	20	67.2 Å²	67.2	14%	0.14	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10	173.4	78	0	0	0	0	113.1	L184 Q189 D357	L184-S359 PolarHBondContact N-O 3.02Å; L184-S359 VanDerWaalsContact N-O 3.1Å; Q189-S359 WeakPolarHBondContact O-CB 3.43Å; D357-S359 PolarHBondContact O-N 3Å; D357-S359 VanDerWaalsContact OD1-CB 3.24Å; D357-S359 WeakPolarHBondContact OD1-CB 3.43Å; D357-S359 PolarHBondContact OD1-N 3.49Å; D357-S359 PolarHBondContact OD1-OG 2.8Å; D357-S359 PolarHBondContact OD2-OG 3.28Å
360	A	92.4	Very high	88.6	Confident	8 Å²	8	63.1 Å²	63.1	7%	0.066	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.8	-172.9	0	0	0	0	0	113.5	V182 R183 G221 D357 R358	V182-A360 CarbonylContact O-C 3.59Å; V182-A360 WeakPolarHBondContact O-CA 3.23Å; R183-A360 HydrophobicContact CB-CB 3.98Å; G221-A360 WeakPolarHBondContact CA-O 3.48Å; G221-A360 PolarHBondContact N-O 2.84Å; D357-A360 PolarHBondContact O-N 2.87Å; R358-A360 VanDerWaalsContact C-N 3.3Å
361	V	94.7	Very high	88	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.9	166.7	-63.6	0	0	0	0	109.1	V182 L191 P195 I197 M218 N219	V182-V361 HydrophobicContact CB-CG2 3.81Å; V182-V361 HydrophobicContact CG2-CG2 4.35Å; V182-V361 PolarHBondContact N-O 3.18Å; V182-V361 PolarHBondContact O-N 3.46Å; L191-V361 HydrophobicContact CD1-CG1 3.79Å; P195-V361 HydrophobicContact CG-CB 4.38Å; P195-V361 HydrophobicContact CG-CG1 3.82Å; P195-V361 HydrophobicContact CG-CG2 3.72Å; I197-V361 HydrophobicContact CD1-CG2 4.43Å; M218-V361 HydrophobicContact CB-CB 4.21Å; M218-V361 HydrophobicContact CB-CG1 4.1Å; M218-V361 HydrophobicContact CE-CB 3.99Å; M218-V361 HydrophobicContact SD-CB 4.03Å; M218-V361 HydrophobicContact SD-CG2 4.02Å; N219-V361 VanDerWaalsContact O-CG1 3.27Å; N219-V361 WeakPolarHBondContact O-CG1 3.44Å
362	Q	95	Very high	87.5	Confident	62 Å²	62	57.8 Å²	57.8	29%	0.29	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.4	-178.3	-66.3	-179.6	-13.1	0	0	110.2	T180 D181 M218 S222 L223 L224 I355	T180-Q362 CarbonylContact O-C 3.56Å; T180-Q362 WeakPolarHBondContact O-CA 3.07Å; D181-Q362 HydrophobicContact CB-CG 4.09Å; D181-Q362 WeakPolarHBondContact OD1-CG 3.45Å; D181-Q362 PolarHBondContact OD2-NE2 3.49Å; M218-Q362 VanDerWaalsContact CE-C 3.49Å; M218-Q362 WeakPolarHBondContact CE-O 3.44Å; S222-Q362 PolarHBondContact O-N 3.32Å; L223-Q362 CarbonylContact C-O 3.59Å; L223-Q362 VanDerWaalsContact CA-O 3.26Å; L223-Q362 WeakPolarHBondContact CA-O 3.47Å; L223-Q362 HydrophobicContact CB-CB 4.48Å; L223-Q362 HydrophobicContact CD1-CB 3.42Å; L223-Q362 VanDerWaalsContact CD1-CB 3.42Å; L224-Q362 PolarHBondContact N-O 2.92Å; I355-Q362 HydrophobicContact CD1-CB 3.94Å; I355-Q362 HydrophobicContact CD1-CG 3.76Å
363	L	95.8	Very high	87.1	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.8	178.3	174.5	70.1	0	0	0	109.1	T180 I197 T199 M218 L224 I226 L365	T180-L363 PolarHBondContact N-O 3.26Å; T180-L363 PolarHBondContact O-N 2.98Å; I197-L363 HydrophobicContact CB-CD2 4.37Å; I197-L363 HydrophobicContact CD1-CB 4.37Å; I197-L363 HydrophobicContact CD1-CD2 4.39Å; I197-L363 HydrophobicContact CG2-CD2 3.68Å; T199-L363 HydrophobicContact CG2-CD2 4.14Å; M218-L363 HydrophobicContact CE-CB 4.15Å; M218-L363 HydrophobicContact SD-CB 4.15Å; L224-L363 HydrophobicContact CB-CD1 4.24Å; L224-L363 HydrophobicContact CD2-CD1 4.21Å; L224-L363 HydrophobicContact CG-CD1 4.26Å; L224-L363 CarbonylContact O-C 3.49Å; L224-L363 WeakPolarHBondContact O-CA 3.46Å; L224-L363 WeakPolarHBondContact O-CD1 3.32Å; I226-L363 HydrophobicContact CD1-CD1 3.63Å; I226-L363 HydrophobicContact CG1-CD1 3.9Å; L363-L365 HydrophobicContact CD1-CD2 3.91Å; L363-L365 HydrophobicContact CD2-CD2 3.99Å; L363-L365 HydrophobicContact CD2-CG 4.22Å; L363-L365 HydrophobicContact CG-CD2 3.93Å; L363-L365 HydrophobicContact CG-CG 4.2Å
364	E	95.2	Very high	86.8	Confident	48 Å²	48	53 Å²	53	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.6	171.7	-51.1	-168	168.5	0	0	109.7	H179 L223 L224 N225 I226	H179-E364 IonicContact CE1-OE1 3.06Å; H179-E364 PolarHBondContact CE1-OE1 3.46Å; H179-E364 IonicContact CE1-OE2 3.94Å; H179-E364 WeakPolarHBondContact ND1-CG 3.5Å; H179-E364 IonicContact ND1-OE1 3.74Å; H179-E364 PolarHBondContact ND1-OE1 3.43Å; L223-E364 HydrophobicContact CD1-CG 3.83Å; L224-E364 PolarHBondContact O-N 3.22Å; N225-E364 CarbonylContact C-O 3.34Å; N225-E364 WeakPolarHBondContact CA-O 3.24Å; N225-E364 WeakPolarHBondContact OD1-CB 3.33Å; N225-E364 VanDerWaalsContact OD1-CD 3.32Å; N225-E364 VanDerWaalsContact OD1-CG 3.25Å; N225-E364 WeakPolarHBondContact OD1-CG 3.36Å; N225-E364 PolarHBondContact OD1-OE2 2.85Å; I226-E364 PolarHBondContact N-O 2.93Å
365	L	94.6	Very high	86.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.5	175	-61.1	-174.5	0	0	0	109.7	P71 I177 F178 T199 I226 Y228 L363	P71-L365 HydrophobicContact CG-CD1 3.82Å; I177-L365 CarbonylContact C-O 3.58Å; I177-L365 WeakPolarHBondContact CA-O 3.47Å; F178-L365 HydrophobicContact CB-CB 4.3Å; F178-L365 HydrophobicContact CD1-CB 4.39Å; F178-L365 HydrophobicContact CD1-CD1 3.95Å; F178-L365 HydrophobicContact CD1-CG 4.38Å; F178-L365 PolarHBondContact N-O 3.48Å; F178-L365 PolarHBondContact O-N 3.3Å; T199-L365 HydrophobicContact CG2-CD1 3.53Å; T199-L365 HydrophobicContact CG2-CD2 4.19Å; T199-L365 HydrophobicContact CG2-CG 4.43Å; I226-L365 HydrophobicContact CB-CD2 3.92Å; I226-L365 HydrophobicContact CD1-CD2 4.28Å; I226-L365 HydrophobicContact CG1-CD2 4.41Å; Y228-L365 HydrophobicContact CD1-CB 4.16Å; Y228-L365 HydrophobicContact CE1-CB 3.82Å; L363-L365 HydrophobicContact CD1-CD2 3.91Å; L363-L365 HydrophobicContact CD2-CD2 3.99Å; L363-L365 HydrophobicContact CD2-CG 4.22Å; L363-L365 HydrophobicContact CG-CD2 3.93Å; L363-L365 HydrophobicContact CG-CG 4.2Å
366	I	92.7	Very high	86.6	Confident	26 Å²	26	47.2 Å²	47.2	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.1	-178.4	-55	167.7	0	0	0	108.4	I177 I226 F227 Y228	I177-I366 HydrophobicContact CG1-CG1 4.39Å; I177-I366 HydrophobicContact CG2-CG1 4.32Å; I226-I366 PolarHBondContact O-N 2.87Å; F227-I366 HydrophobicContact CD1-CB 3.83Å; F227-I366 HydrophobicContact CD1-CD1 4.03Å; F227-I366 HydrophobicContact CD1-CG2 3.7Å; F227-I366 HydrophobicContact CD2-CD1 4.5Å; F227-I366 HydrophobicContact CE1-CB 4.06Å; F227-I366 HydrophobicContact CE1-CD1 3.51Å; F227-I366 HydrophobicContact CE1-CG1 4.39Å; F227-I366 HydrophobicContact CE1-CG2 3.75Å; F227-I366 HydrophobicContact CE2-CD1 4.02Å; F227-I366 HydrophobicContact CG-CB 4.43Å; F227-I366 HydrophobicContact CZ-CD1 3.5Å; Y228-I366 WeakPolarHBondContact CD1-O 3.46Å; Y228-I366 PolarHBondContact N-O 2.86Å; Y228-I366 VanDerWaalsContact N-O 3.08Å
367	Q	88.3	Confident	86.6	Confident	17 Å²	17	44.7 Å²	44.7	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.8	179.4	-169.2	179.9	-4.3	0	0	110.8	W175 K176 Y228	W175-Q367 HydrophobicContact CH2-CB 4.38Å; W175-Q367 HydrophobicContact CZ3-CB 4.11Å; K176-Q367 PolarHBondContact O-N 3.21Å; Y228-Q367 HydrophobicContact CE1-CB 4.27Å
368	A	83.8	Confident	86.1	Confident	32 Å²	32	42.7 Å²	42.7	26%	0.264	22%	0.221	S	C	.	.			trans	-63.2	154.5	170.1	0	0	0	0	0	112.5	Y228 L348 G370	Y228-A368 PolarHBondContact O-N 3.26Å; Y228-A368 VanDerWaalsContact O-N 3.13Å; L348-A368 HydrophobicContact CD1-CB 4.17Å; A368-G370 PolarHBondContact O-N 3.16Å; A368-G370 VanDerWaalsContact O-N 3.12Å
369	E	75.1	Confident	85.3	Confident	154 Å²	154	37.8 Å²	37.8	72%	0.72	21%	0.207	S	C	*	.	S	Bend	trans	-62.3	-22.7	-172.9	-61.7	-170	157.3	0	0	114.9	P64	P64-E369 WeakPolarHBondContact CD-O 3.33Å
370	G	74.2	Confident	84.4	Confident	27 Å²	27	38.6 Å²	38.6	28%	0.278	21%	0.208	S	C	.	.			trans	-122.9	132.1	-179.4	0	0	0	0	0	112.7	A368	A368-G370 PolarHBondContact O-N 3.16Å; A368-G370 VanDerWaalsContact O-N 3.12Å
371	L	80.7	Confident	83.6	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	125.3	162.4	178.6	75.9	0	0	0	108.4	Q61 R62 K230 I232	Q61-L371 WeakPolarHBondContact CA-O 3.42Å; R62-L371 HydrophobicContact CB-CB 4.37Å; R62-L371 PolarHBondContact N-O 3.47Å; R62-L371 PolarHBondContact O-N 2.87Å; K230-L371 HydrophobicContact CB-CD1 3.56Å; K230-L371 HydrophobicContact CD-CD1 3.72Å; K230-L371 HydrophobicContact CG-CD1 3.47Å; K230-L371 VanDerWaalsContact CG-CD1 3.47Å; K230-L371 WeakPolarHBondContact O-CD1 3.28Å; I232-L371 HydrophobicContact CD1-CD1 4.29Å; I232-L371 HydrophobicContact CD1-CD2 3.82Å; I232-L371 HydrophobicContact CD1-CG 4.47Å; I232-L371 HydrophobicContact CG1-CD1 4.17Å; I232-L371 HydrophobicContact CG1-CD2 4.42Å
372	T	82.5	Confident	83	Confident	50 Å²	50	44.9 Å²	44.9	31%	0.307	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.1	173.7	51.5	0	0	0	0	110	Q61 K230 S231 I232	Q61-T372 HydrophobicContact CG-CG2 4.43Å; K230-T372 PolarHBondContact O-N 3.32Å; S231-T372 CarbonylContact C-O 3.57Å; S231-T372 WeakPolarHBondContact CA-O 3.46Å; S231-T372 WeakPolarHBondContact CB-OG1 3.29Å; I232-T372 PolarHBondContact N-O 3.31Å
373	E	84	Confident	82.4	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	173.3	-170.9	179	-155.1	0	0	109.3	L59 D60 R62 I232 K234 T375	L59-E373 WeakPolarHBondContact CA-O 3.36Å; D60-E373 HydrophobicContact CB-CB 4.43Å; D60-E373 PolarHBondContact N-O 2.91Å; D60-E373 PolarHBondContact O-N 2.82Å; R62-E373 IonicContact CZ-OE2 2.82Å; R62-E373 IonicContact NE-OE2 3.9Å; R62-E373 PolarHBondContact NE-OE2 2.73Å; R62-E373 IonicContact NH2-OE1 3.38Å; R62-E373 PolarHBondContact NH2-OE1 3.15Å; R62-E373 IonicContact NH2-OE2 3.9Å; R62-E373 PolarHBondContact NH2-OE2 3.26Å; I232-E373 HydrophobicContact CB-CG 4.47Å; I232-E373 CarbonylContact O-C 3.56Å; I232-E373 WeakPolarHBondContact O-CA 3.33Å; K234-E373 VanDerWaalsContact CD-OE1 3.29Å; K234-E373 WeakPolarHBondContact CD-OE1 3.48Å; K234-E373 WeakPolarHBondContact CE-OE1 3.47Å; K234-E373 IonicContact NZ-OE1 2.75Å; K234-E373 PolarHBondContact NZ-OE1 2.77Å; E373-T375 HydrophobicContact CG-CG2 3.87Å
374	M	83.4	Confident	81.8	Confident	60 Å²	60	50 Å²	50	30%	0.296	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.3	173.2	-47.8	-166.8	-118.8	0	0	107.8	V57 R58 L59 I232 T233 K234	V57-M374 HydrophobicContact CG1-CB 4.04Å; R58-M374 CarbonylContact O-C 3.46Å; R58-M374 WeakPolarHBondContact O-CA 3.38Å; L59-M374 HydrophobicContact CD2-CB 4.03Å; L59-M374 HydrophobicContact CD2-CG 3.46Å; L59-M374 VanDerWaalsContact CD2-CG 3.46Å; L59-M374 HydrophobicContact CD2-SD 3.95Å; I232-M374 PolarHBondContact O-N 3.14Å; T233-M374 CarbonylContact C-O 3.56Å; T233-M374 WeakPolarHBondContact CA-O 3.5Å; T233-M374 HydrophobicContact CG2-CB 4.3Å; K234-M374 PolarHBondContact N-O 3.3Å
375	T	84.3	Confident	81.2	Confident	18 Å²	18	48.5 Å²	48.5	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.7	175.9	60	0	0	0	0	109.8	V57 R58 K234 E373 E377	V57-T375 WeakPolarHBondContact CA-O 3.06Å; R58-T375 WeakPolarHBondContact CB-OG1 3.23Å; R58-T375 PolarHBondContact N-O 3.1Å; R58-T375 PolarHBondContact O-N 3.39Å; K234-T375 HydrophobicContact CB-CG2 4.17Å; K234-T375 HydrophobicContact CD-CG2 4.01Å; K234-T375 HydrophobicContact CG-CG2 4.5Å; E373-T375 HydrophobicContact CG-CG2 3.87Å; T375-E377 PolarHBondContact O-N 2.94Å
376	E	81.2	Confident	80.8	Confident	52 Å²	52	54.4 Å²	54.4	24%	0.243	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.6	167.4	-70.9	178.4	177.4	0	0	108.7	V56 V57 K234 R235 L236	V56-E376 WeakPolarHBondContact O-CA 3.31Å; V57-E376 HydrophobicContact CG2-CG 4.2Å; K234-E376 PolarHBondContact O-N 3.38Å; R235-E376 VanDerWaalsContact CA-OE2 3.31Å; R235-E376 WeakPolarHBondContact CA-OE2 3.28Å; R235-E376 WeakPolarHBondContact CB-OE2 3.47Å; L236-E376 HydrophobicContact CB-CB 4.14Å; L236-E376 PolarHBondContact N-OE2 3.49Å; L236-E376 VanDerWaalsContact N-OE2 3.15Å
377	E	79.5	Confident	80.5	Confident	92 Å²	92	57.4 Å²	57.4	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.1	175.1	-67.2	-177.9	-178.2	0	0	110	T55 V56 T375 L379	T55-E377 CarbonylContact C-O 3.58Å; T55-E377 WeakPolarHBondContact CA-O 3.32Å; T55-E377 WeakPolarHBondContact CB-O 3.34Å; V56-E377 HydrophobicContact CG2-CB 4.41Å; V56-E377 PolarHBondContact N-O 3.41Å; V56-E377 PolarHBondContact O-N 2.69Å; T375-E377 PolarHBondContact O-N 2.94Å; E377-L379 PolarHBondContact O-N 3.38Å
378	A	73.9	Confident	80.5	Confident	37 Å²	37	59.4 Å²	59.4	31%	0.306	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.2	171	0	0	0	0	0	109	L236 Y380	L236-A378 HydrophobicContact CD2-CB 3.88Å; A378-Y380 PolarHBondContact O-N 2.86Å
379	L	70.3	Confident	80.7	Confident	72 Å²	72	60.2 Å²	60.2	38%	0.377	33%	0.325	S	S	.	.	S	Bend	trans	-60	-35.1	174.8	-178	72.7	0	0	0	111.2	V54 V56 E377	V54-L379 HydrophobicContact CB-CB 4.31Å; V54-L379 HydrophobicContact CB-CD2 4.16Å; V54-L379 HydrophobicContact CG1-CB 4.27Å; V54-L379 HydrophobicContact CG1-CD2 3.75Å; V54-L379 VanDerWaalsContact O-CB 3.23Å; V54-L379 WeakPolarHBondContact O-CB 3.48Å; V54-L379 PolarHBondContact O-N 3.29Å; V56-L379 HydrophobicContact CG1-CB 4.17Å; V56-L379 HydrophobicContact CG1-CD1 3.51Å; V56-L379 HydrophobicContact CG1-CG 4.31Å; V56-L379 HydrophobicContact CG2-CB 4.36Å; V56-L379 HydrophobicContact CG2-CD1 4.25Å; E377-L379 PolarHBondContact O-N 3.38Å
380	Y	71.2	Confident	81.2	Confident	38 Å²	38	54.5 Å²	54.5	15%	0.149	31%	0.308	C	S	.	.	S	Bend	trans	-109.9	86.9	173.2	-98.3	-85.7	0	0	0	109.9	A378 K384 E388	A378-Y380 PolarHBondContact O-N 2.86Å; Y380-K384 HydrophobicContact CD1-CD 4.08Å; Y380-K384 HydrophobicContact CD1-CG 4.17Å; Y380-K384 HydrophobicContact CE1-CD 4.08Å; Y380-K384 HydrophobicContact CE1-CG 4.11Å; Y380-K384 HydrophobicContact CG-CD 4.5Å; Y380-E388 VanDerWaalsContact CE1-OE1 3.23Å; Y380-E388 WeakPolarHBondContact CE1-OE1 3.37Å; Y380-E388 WeakPolarHBondContact CE1-OE2 3.21Å; Y380-E388 VanDerWaalsContact CZ-OE1 3.31Å; Y380-E388 PolarHBondContact OH-OE1 2.96Å; Y380-E388 PolarHBondContact OH-OE2 2.92Å
381	S	76.4	Confident	81.9	Confident	52 Å²	52	55 Å²	55	36%	0.364	31%	0.312	S	S	.	.			trans	-73.8	156.9	171.8	68.5	0	0	0	0	111	P383 K384 L385	S381-P383 VanDerWaalsContact C-N 3.32Å; S381-K384 WeakPolarHBondContact O-CB 3.48Å; S381-K384 PolarHBondContact O-N 3.14Å; S381-L385 PolarHBondContact O-N 3.42Å
382	L	80.6	Confident	82.2	Confident	88 Å²	88	56.7 Å²	56.7	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-55.7	-38	176.2	172.6	146.1	0	0	0	113.4	Y50 K384 L385 F386	Y50-L382 HydrophobicContact CE2-CB 4.47Å; L382-K384 PolarHBondContact O-N 2.91Å; L382-L385 WeakPolarHBondContact O-CB 3.47Å; L382-L385 PolarHBondContact O-N 2.88Å; L382-F386 HydrophobicContact CD1-CE2 4.02Å; L382-F386 HydrophobicContact CD2-CD2 3.63Å; L382-F386 HydrophobicContact CD2-CE2 3.43Å; L382-F386 VanDerWaalsContact CD2-CE2 3.43Å; L382-F386 HydrophobicContact CG-CD2 3.84Å; L382-F386 HydrophobicContact CG-CE2 3.51Å; L382-F386 HydrophobicContact CG-CZ 4.48Å; L382-F386 VanDerWaalsContact O-CD2 3.28Å; L382-F386 WeakPolarHBondContact O-CD2 3.09Å; L382-F386 PolarHBondContact O-N 2.89Å
383	P	83.8	Confident	82.2	Confident	87 Å²	87	56.3 Å²	56.3	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-59.5	-40.6	170.2	-27.1	35.5	0	0	0	113.8	S381 F386 S387	S381-P383 VanDerWaalsContact C-N 3.32Å; P383-F386 PolarHBondContact O-N 3.47Å; P383-S387 WeakPolarHBondContact O-CB 3.39Å; P383-S387 PolarHBondContact O-N 3.37Å
384	K	82.4	Confident	82.3	Confident	84 Å²	84	59.6 Å²	59.6	37%	0.365	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-40.2	177.7	-171.5	173.6	-179.6	177.5	0	111.5	Y380 S381 L382 S387 E388	Y380-K384 HydrophobicContact CD1-CD 4.08Å; Y380-K384 HydrophobicContact CD1-CG 4.17Å; Y380-K384 HydrophobicContact CE1-CD 4.08Å; Y380-K384 HydrophobicContact CE1-CG 4.11Å; Y380-K384 HydrophobicContact CG-CD 4.5Å; S381-K384 WeakPolarHBondContact O-CB 3.48Å; S381-K384 PolarHBondContact O-N 3.14Å; L382-K384 PolarHBondContact O-N 2.91Å; K384-S387 PolarHBondContact O-N 2.89Å; K384-E388 PolarHBondContact O-N 2.86Å
385	L	82.9	Confident	82.3	Confident	16 Å²	16	63.7 Å²	63.7	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-56.8	-50.9	172.2	174	64.8	0	0	0	111.2	V46 Y50 S381 L382 S387 E388 I389	V46-L385 HydrophobicContact CG1-CD1 3.5Å; V46-L385 VanDerWaalsContact CG1-CD1 3.5Å; Y50-L385 HydrophobicContact CD1-CD2 3.9Å; Y50-L385 HydrophobicContact CD2-CB 4.11Å; Y50-L385 HydrophobicContact CD2-CD2 3.85Å; Y50-L385 HydrophobicContact CD2-CG 4.44Å; Y50-L385 HydrophobicContact CE1-CD2 4.15Å; Y50-L385 HydrophobicContact CE2-CD2 4.1Å; Y50-L385 HydrophobicContact CG-CD1 4.42Å; Y50-L385 HydrophobicContact CG-CD2 3.73Å; Y50-L385 HydrophobicContact CG-CG 4.47Å; S381-L385 PolarHBondContact O-N 3.42Å; L382-L385 WeakPolarHBondContact O-CB 3.47Å; L382-L385 PolarHBondContact O-N 2.88Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 3.44Å; L385-E388 PolarHBondContact O-N 2.71Å; L385-I389 HydrophobicContact CD1-CD1 3.64Å; L385-I389 HydrophobicContact CD1-CG1 4.18Å; L385-I389 HydrophobicContact CG-CD1 3.85Å; L385-I389 WeakPolarHBondContact O-CB 3.38Å; L385-I389 WeakPolarHBondContact O-CG1 3.44Å; L385-I389 PolarHBondContact O-N 3.33Å
386	F	85	Confident	82	Confident	125 Å²	125	63.9 Å²	63.9	55%	0.548	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-34.6	179.2	-74.5	-51.8	0	0	0	113	L382 P383 G390	L382-F386 HydrophobicContact CD1-CE2 4.02Å; L382-F386 HydrophobicContact CD2-CD2 3.63Å; L382-F386 HydrophobicContact CD2-CE2 3.43Å; L382-F386 VanDerWaalsContact CD2-CE2 3.43Å; L382-F386 HydrophobicContact CG-CD2 3.84Å; L382-F386 HydrophobicContact CG-CE2 3.51Å; L382-F386 HydrophobicContact CG-CZ 4.48Å; L382-F386 VanDerWaalsContact O-CD2 3.28Å; L382-F386 WeakPolarHBondContact O-CD2 3.09Å; L382-F386 PolarHBondContact O-N 2.89Å; P383-F386 PolarHBondContact O-N 3.47Å; F386-G390 WeakPolarHBondContact O-CA 3.43Å; F386-G390 PolarHBondContact O-N 3.35Å
387	S	87.9	Confident	82	Confident	89 Å²	89	68.5 Å²	68.5	62%	0.622	38%	0.382	S	S	*	.	H	α-helix	trans	-63.5	-43	173.4	-172.6	0	0	0	0	111.7	P383 K384 L385 G391	P383-S387 WeakPolarHBondContact O-CB 3.39Å; P383-S387 PolarHBondContact O-N 3.37Å; K384-S387 PolarHBondContact O-N 2.89Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 3.44Å; S387-G391 PolarHBondContact O-N 3.31Å
388	E	87.6	Confident	82	Confident	59 Å²	59	65.7 Å²	65.7	28%	0.276	38%	0.378	S	S	.	.	H	α-helix	trans	-69.7	-44.8	177.5	-78.1	-174.8	-166.4	0	0	111.8	V46 Y380 K384 L385 G390 G391 L392	V46-E388 HydrophobicContact CG1-CB 4.24Å; Y380-E388 VanDerWaalsContact CE1-OE1 3.23Å; Y380-E388 WeakPolarHBondContact CE1-OE1 3.37Å; Y380-E388 WeakPolarHBondContact CE1-OE2 3.21Å; Y380-E388 VanDerWaalsContact CZ-OE1 3.31Å; Y380-E388 PolarHBondContact OH-OE1 2.96Å; Y380-E388 PolarHBondContact OH-OE2 2.92Å; K384-E388 PolarHBondContact O-N 2.86Å; L385-E388 PolarHBondContact O-N 2.71Å; E388-G390 VanDerWaalsContact C-N 3.32Å; E388-G390 PolarHBondContact O-N 3.18Å; E388-G391 PolarHBondContact O-N 2.97Å; E388-L392 VanDerWaalsContact O-CB 3.32Å; E388-L392 WeakPolarHBondContact O-CB 3.42Å; E388-L392 PolarHBondContact O-N 3Å
389	I	86.9	Confident	82.2	Confident	49 Å²	49	67.5 Å²	67.5	25%	0.251	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-41.8	175.4	-68	171.5	0	0	0	110.7	V46 L385 L392 S393	V46-I389 HydrophobicContact CG1-CG1 4.33Å; L385-I389 HydrophobicContact CD1-CD1 3.64Å; L385-I389 HydrophobicContact CD1-CG1 4.18Å; L385-I389 HydrophobicContact CG-CD1 3.85Å; L385-I389 WeakPolarHBondContact O-CB 3.38Å; L385-I389 WeakPolarHBondContact O-CG1 3.44Å; L385-I389 PolarHBondContact O-N 3.33Å; I389-L392 PolarHBondContact O-N 3.29Å; I389-S393 WeakPolarHBondContact O-CB 3.39Å; I389-S393 PolarHBondContact O-N 3.16Å; I389-S393 PolarHBondContact O-OG 2.91Å
390	G	87.5	Confident	82.6	Confident	34 Å²	34	66.8 Å²	66.8	35%	0.351	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-47.4	174.2	0	0	0	0	0	112	F386 E388 L392 S393 S394	F386-G390 WeakPolarHBondContact O-CA 3.43Å; F386-G390 PolarHBondContact O-N 3.35Å; E388-G390 VanDerWaalsContact C-N 3.32Å; E388-G390 PolarHBondContact O-N 3.18Å; G390-L392 PolarHBondContact O-N 3.47Å; G390-S393 WeakPolarHBondContact CA-OG 3.13Å; G390-S393 PolarHBondContact O-OG 3.46Å; G390-S394 WeakPolarHBondContact O-CB 3.35Å; G390-S394 PolarHBondContact O-N 3.04Å; G390-S394 PolarHBondContact O-OG 3.42Å
391	G	88.4	Confident	82.8	Confident	36 Å²	36	68.1 Å²	68.1	37%	0.371	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-46.1	173.8	0	0	0	0	0	112.6	S387 E388 S394 F395	S387-G391 PolarHBondContact O-N 3.31Å; E388-G391 PolarHBondContact O-N 2.97Å; G391-S394 PolarHBondContact O-N 3.03Å; G391-S394 PolarHBondContact O-OG 2.86Å; G391-F395 PolarHBondContact O-N 3.44Å
392	L	86.2	Confident	82.8	Confident	48 Å²	48	70 Å²	70	25%	0.251	40%	0.399	S	S	.	.	H	α-helix	trans	-69.9	-38.8	-176	-143.5	145.1	0	0	0	112.5	L39 S42 E388 I389 G390 F395 C396	L39-L392 HydrophobicContact CG-CD2 4.41Å; S42-L392 WeakPolarHBondContact OG-CD2 3.29Å; E388-L392 VanDerWaalsContact O-CB 3.32Å; E388-L392 WeakPolarHBondContact O-CB 3.42Å; E388-L392 PolarHBondContact O-N 3Å; I389-L392 PolarHBondContact O-N 3.29Å; G390-L392 PolarHBondContact O-N 3.47Å; L392-F395 PolarHBondContact O-N 3.45Å; L392-C396 PolarHBondContact O-N 2.94Å; L392-C396 VanDerWaalsContact O-N 3.14Å
393	S	83.4	Confident	82.3	Confident	42 Å²	42	67.6 Å²	67.6	29%	0.294	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-43.7	171.5	57	0	0	0	0	111.5	I389 G390 F395 C396 F397	I389-S393 WeakPolarHBondContact O-CB 3.39Å; I389-S393 PolarHBondContact O-N 3.16Å; I389-S393 PolarHBondContact O-OG 2.91Å; G390-S393 WeakPolarHBondContact CA-OG 3.13Å; G390-S393 PolarHBondContact O-OG 3.46Å; S393-F395 VanDerWaalsContact C-N 3.31Å; S393-F395 PolarHBondContact O-N 2.96Å; S393-C396 PolarHBondContact O-N 3.34Å; S393-C396 VanDerWaalsContact O-N 3.16Å; S393-F397 WeakPolarHBondContact O-CD2 3.43Å; S393-F397 PolarHBondContact O-N 3.39Å
394	S	86	Confident	81.8	Confident	73 Å²	73	68.1 Å²	68.1	51%	0.51	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-39.2	176.5	77.6	0	0	0	0	112.6	G390 G391 F397 G398	G390-S394 WeakPolarHBondContact O-CB 3.35Å; G390-S394 PolarHBondContact O-N 3.04Å; G390-S394 PolarHBondContact O-OG 3.42Å; G391-S394 PolarHBondContact O-N 3.03Å; G391-S394 PolarHBondContact O-OG 2.86Å; S394-F397 PolarHBondContact O-N 2.91Å; S394-G398 PolarHBondContact O-N 2.74Å
395	F	82	Confident	81.5	Confident	146 Å²	146	70.5 Å²	70.5	64%	0.64	39%	0.391	S	S	*	.	H	α-helix	trans	-63.5	-43.4	175	179.5	-98.3	0	0	0	111.7	G391 L392 S393 G398 F399	G391-F395 PolarHBondContact O-N 3.44Å; L392-F395 PolarHBondContact O-N 3.45Å; S393-F395 VanDerWaalsContact C-N 3.31Å; S393-F395 PolarHBondContact O-N 2.96Å; F395-G398 PolarHBondContact O-N 2.88Å; F395-F399 PolarHBondContact O-N 3.49Å
396	C	78.7	Confident	81.1	Confident	23 Å²	23	75.1 Å²	75.1	16%	0.155	41%	0.412	C	S	.	.	H	α-helix	trans	-65	-40.4	177.2	-171	0	0	0	0	112.4	L39 L392 S393 S400	L39-C396 HydrophobicContact CD1-CB 3.63Å; L392-C396 PolarHBondContact O-N 2.94Å; L392-C396 VanDerWaalsContact O-N 3.14Å; S393-C396 PolarHBondContact O-N 3.34Å; S393-C396 VanDerWaalsContact O-N 3.16Å; C396-S400 WeakPolarHBondContact O-CB 3.29Å; C396-S400 PolarHBondContact O-N 2.87Å; C396-S400 PolarHBondContact O-OG 2.89Å
397	F	81	Confident	80.2	Confident	149 Å²	149	72.7 Å²	72.7	65%	0.654	40%	0.404	S	S	*	.	H	α-helix	trans	-63.3	-45.8	173.3	-76.6	-63.5	0	0	0	111.1	S393 S394 F399 S400 C401	S393-F397 WeakPolarHBondContact O-CD2 3.43Å; S393-F397 PolarHBondContact O-N 3.39Å; S394-F397 PolarHBondContact O-N 2.91Å; F397-F399 PolarHBondContact O-N 3.5Å; F397-S400 PolarHBondContact O-N 2.92Å; F397-C401 PolarHBondContact O-N 3.3Å; F397-C401 PolarHBondContact O-SG 3.18Å; F397-C401 VanDerWaalsContact O-SG 3.33Å
398	G	80.8	Confident	79.6	Confident	33 Å²	33	71.7 Å²	71.7	34%	0.34	39%	0.392	S	S	.	.	H	α-helix	trans	-57.3	-48.7	176.7	0	0	0	0	0	112.7	S394 F395 S400 C401 I402	S394-G398 PolarHBondContact O-N 2.74Å; F395-G398 PolarHBondContact O-N 2.88Å; G398-S400 PolarHBondContact O-N 2.65Å; G398-C401 WeakPolarHBondContact O-CB 3.22Å; G398-C401 PolarHBondContact O-N 3.32Å; G398-I402 WeakPolarHBondContact O-CG1 3.44Å; G398-I402 PolarHBondContact O-N 2.87Å
399	F	77.1	Confident	79	Confident	74 Å²	74	75.3 Å²	75.3	33%	0.325	41%	0.408	S	S	.	.	H	α-helix	trans	-65	-39	178.9	-160.6	-109.1	0	0	0	112.6	F31 M35 F395 F397 C401 I402 L403	F31-F399 AromaticContact CE2-CE1 3.91Å; F31-F399 HydrophobicContact CE2-CE1 3.91Å; F31-F399 AromaticContact CZ-CD1 3.83Å; F31-F399 HydrophobicContact CZ-CD1 3.83Å; F31-F399 AromaticContact CZ-CE1 3.5Å; F31-F399 HydrophobicContact CZ-CE1 3.5Å; M35-F399 HydrophobicContact CE-CB 4.11Å; M35-F399 HydrophobicContact CE-CD1 3.55Å; M35-F399 HydrophobicContact CE-CE1 4.41Å; M35-F399 HydrophobicContact CE-CG 4.19Å; M35-F399 HydrophobicContact SD-CD1 3.9Å; M35-F399 HydrophobicContact SD-CE1 4.19Å; F395-F399 PolarHBondContact O-N 3.49Å; F397-F399 PolarHBondContact O-N 3.5Å; F399-C401 VanDerWaalsContact C-N 3.28Å; F399-C401 PolarHBondContact O-N 2.99Å; F399-I402 PolarHBondContact O-N 2.85Å; F399-L403 HydrophobicContact CD1-CD1 3.6Å; F399-L403 HydrophobicContact CD1-CG 4.26Å; F399-L403 HydrophobicContact CE1-CD1 3.39Å; F399-L403 HydrophobicContact CE1-CG 4.07Å; F399-L403 HydrophobicContact CZ-CD1 4.11Å; F399-L403 HydrophobicContact CZ-CG 4.37Å; F399-L403 WeakPolarHBondContact O-CG 3.21Å; F399-L403 PolarHBondContact O-N 2.79Å
400	S	78.1	Confident	78.3	Confident	57 Å²	57	78 Å²	78	40%	0.399	42%	0.423	S	S	.	.	H	α-helix	trans	-61.7	-38.2	174.6	-56.9	0	0	0	0	111.5	C396 F397 G398 F404	C396-S400 WeakPolarHBondContact O-CB 3.29Å; C396-S400 PolarHBondContact O-N 2.87Å; C396-S400 PolarHBondContact O-OG 2.89Å; F397-S400 PolarHBondContact O-N 2.92Å; G398-S400 PolarHBondContact O-N 2.65Å; S400-F404 VanDerWaalsContact O-CB 3.29Å; S400-F404 WeakPolarHBondContact O-CB 3.39Å; S400-F404 PolarHBondContact O-N 3.29Å; S400-F404 VanDerWaalsContact O-N 3.11Å
401	C	75.7	Confident	77.5	Confident	67 Å²	67	78.7 Å²	78.7	45%	0.453	43%	0.425	S	S	.	.	H	α-helix	trans	-70.5	-42.2	175.1	-69.9	0	0	0	0	113	F397 G398 F399 F404 F405	F397-C401 PolarHBondContact O-N 3.3Å; F397-C401 PolarHBondContact O-SG 3.18Å; F397-C401 VanDerWaalsContact O-SG 3.33Å; G398-C401 WeakPolarHBondContact O-CB 3.22Å; G398-C401 PolarHBondContact O-N 3.32Å; F399-C401 VanDerWaalsContact C-N 3.28Å; F399-C401 PolarHBondContact O-N 2.99Å; C401-F404 WeakPolarHBondContact O-CB 3.42Å; C401-F404 PolarHBondContact O-N 3.22Å; C401-F405 WeakPolarHBondContact O-CD2 3.49Å; C401-F405 PolarHBondContact O-N 3.42Å
402	I	77.1	Confident	76.7	Confident	92 Å²	92	83.3 Å²	83.3	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-50.1	178.2	-69.8	165.7	0	0	0	110.2	G398 F399 F404 F405 E406	G398-I402 WeakPolarHBondContact O-CG1 3.44Å; G398-I402 PolarHBondContact O-N 2.87Å; F399-I402 PolarHBondContact O-N 2.85Å; I402-F404 PolarHBondContact O-N 3.03Å; I402-F405 PolarHBondContact O-N 3.3Å; I402-E406 HydrophobicContact CG2-CG 4.44Å; I402-E406 PolarHBondContact O-N 3.4Å
403	L	69.3	Low	75.9	Confident	37 Å²	37	89.3 Å²	89.3	19%	0.194	46%	0.455	C	S	.	.	H	α-helix	trans	-62.8	-33	177.5	-73	173.8	0	0	0	112.5	F31 F399 L407	F31-L403 HydrophobicContact CD1-CD1 4.12Å; F31-L403 HydrophobicContact CE1-CD1 3.18Å; F31-L403 HydrophobicContact CE2-CD1 3.73Å; F31-L403 HydrophobicContact CZ-CD1 2.98Å; F31-L403 HydrophobicContact CZ-CG 4.48Å; F399-L403 HydrophobicContact CD1-CD1 3.6Å; F399-L403 HydrophobicContact CD1-CG 4.26Å; F399-L403 HydrophobicContact CE1-CD1 3.39Å; F399-L403 HydrophobicContact CE1-CG 4.07Å; F399-L403 HydrophobicContact CZ-CD1 4.11Å; F399-L403 HydrophobicContact CZ-CG 4.37Å; F399-L403 WeakPolarHBondContact O-CG 3.21Å; F399-L403 PolarHBondContact O-N 2.79Å; L403-L407 WeakPolarHBondContact O-CB 3.23Å; L403-L407 PolarHBondContact O-N 3.19Å
404	F	73.7	Confident	75.3	Confident	98 Å²	98	91.6 Å²	91.6	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-42.8	172.4	174.1	-97.5	0	0	0	111.7	S400 C401 I402 L408	S400-F404 VanDerWaalsContact O-CB 3.29Å; S400-F404 WeakPolarHBondContact O-CB 3.39Å; S400-F404 PolarHBondContact O-N 3.29Å; S400-F404 VanDerWaalsContact O-N 3.11Å; C401-F404 WeakPolarHBondContact O-CB 3.42Å; C401-F404 PolarHBondContact O-N 3.22Å; I402-F404 PolarHBondContact O-N 3.03Å; F404-L408 HydrophobicContact CD1-CD1 3.93Å; F404-L408 HydrophobicContact CE1-CD1 3.36Å; F404-L408 HydrophobicContact CE1-CG 4.26Å; F404-L408 HydrophobicContact CE2-CD1 4.46Å; F404-L408 HydrophobicContact CZ-CD1 3.67Å; F404-L408 HydrophobicContact CZ-CG 4.25Å; F404-L408 WeakPolarHBondContact O-CG 3.43Å; F404-L408 PolarHBondContact O-N 3.26Å
405	F	75.8	Confident	74.8	Confident	133 Å²	133	96.6 Å²	96.6	58%	0.583	47%	0.471	S	S	*	.	H	α-helix	trans	-71.5	-44.2	177.5	-75.1	-62.1	0	0	0	113.2	C401 I402 L407 L408 E409	C401-F405 WeakPolarHBondContact O-CD2 3.49Å; C401-F405 PolarHBondContact O-N 3.42Å; I402-F405 PolarHBondContact O-N 3.3Å; F405-L407 PolarHBondContact O-N 3.11Å; F405-L408 HydrophobicContact CD1-CD1 4.22Å; F405-L408 WeakPolarHBondContact O-CB 3.22Å; F405-L408 PolarHBondContact O-N 3.04Å; F405-E409 PolarHBondContact O-N 2.84Å
406	E	75.2	Confident	74.2	Confident	114 Å²	114	93.7 Å²	93.7	53%	0.533	47%	0.468	S	S	.	.	H	α-helix	trans	-59.1	-37.2	175.3	-75.1	-173.9	166.8	0	0	111.4	I402 E409 L410	I402-E406 HydrophobicContact CG2-CG 4.44Å; I402-E406 PolarHBondContact O-N 3.4Å; E406-E409 PolarHBondContact O-N 2.93Å; E406-L410 WeakPolarHBondContact O-CB 3.25Å; E406-L410 PolarHBondContact O-N 2.92Å
407	L	67	Low	73.6	Confident	73 Å²	73	94.3 Å²	94.3	38%	0.382	47%	0.471	S	S	.	.	H	α-helix	trans	-77.3	-32.5	179.2	-156.5	132.6	0	0	0	112.4	W28 L403 F405 E409 A411	W28-L407 HydrophobicContact CZ2-CD1 3.67Å; W28-L407 HydrophobicContact CZ2-CD2 4.25Å; W28-L407 HydrophobicContact CZ2-CG 4.36Å; L403-L407 WeakPolarHBondContact O-CB 3.23Å; L403-L407 PolarHBondContact O-N 3.19Å; F405-L407 PolarHBondContact O-N 3.11Å; L407-E409 VanDerWaalsContact C-N 3.32Å; L407-A411 WeakPolarHBondContact O-CB 3.21Å; L407-A411 PolarHBondContact O-N 3.42Å
408	L	73.3	Confident	72.4	Confident	69 Å²	69	94.4 Å²	94.4	36%	0.361	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-45.8	166.5	-83.1	174.5	0	0	0	110.3	F404 F405 A411 F412	F404-L408 HydrophobicContact CD1-CD1 3.93Å; F404-L408 HydrophobicContact CE1-CD1 3.36Å; F404-L408 HydrophobicContact CE1-CG 4.26Å; F404-L408 HydrophobicContact CE2-CD1 4.46Å; F404-L408 HydrophobicContact CZ-CD1 3.67Å; F404-L408 HydrophobicContact CZ-CG 4.25Å; F404-L408 WeakPolarHBondContact O-CG 3.43Å; F404-L408 PolarHBondContact O-N 3.26Å; F405-L408 HydrophobicContact CD1-CD1 4.22Å; F405-L408 WeakPolarHBondContact O-CB 3.22Å; F405-L408 PolarHBondContact O-N 3.04Å; L408-A411 PolarHBondContact O-N 2.85Å; L408-F412 WeakPolarHBondContact O-CB 3.2Å; L408-F412 WeakPolarHBondContact O-CD2 3.32Å; L408-F412 PolarHBondContact O-N 3.34Å
409	E	74.9	Confident	71.2	Confident	134 Å²	134	101.4 Å²	101.4	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-61.8	-46.9	177.5	-171.8	178	178.4	0	0	111.4	F405 E406 L407 A411 F412 W413	F405-E409 PolarHBondContact O-N 2.84Å; E406-E409 PolarHBondContact O-N 2.93Å; L407-E409 VanDerWaalsContact C-N 3.32Å; E409-A411 VanDerWaalsContact C-N 3.32Å; E409-A411 PolarHBondContact O-N 3.37Å; E409-F412 CarbonylContact O-C 3.5Å; E409-F412 WeakPolarHBondContact O-CB 3.36Å; E409-F412 PolarHBondContact O-N 2.93Å; E409-F412 VanDerWaalsContact O-N 3.15Å; E409-W413 WeakPolarHBondContact O-CB 3.44Å; E409-W413 PolarHBondContact O-N 3.47Å
410	L	72.9	Confident	70.3	Confident	105 Å²	105	101.1 Å²	101.1	55%	0.55	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-36.5	176.9	-170.7	134.6	0	0	0	112.1	E406 W413 L414	E406-L410 WeakPolarHBondContact O-CB 3.25Å; E406-L410 PolarHBondContact O-N 2.92Å; L410-W413 PolarHBondContact O-N 2.7Å; L410-L414 HydrophobicContact CD2-CD1 3.57Å; L410-L414 HydrophobicContact CD2-CG 4.36Å; L410-L414 HydrophobicContact CG-CD1 4.41Å; L410-L414 VanDerWaalsContact O-CB 3.32Å; L410-L414 WeakPolarHBondContact O-CB 3.46Å; L410-L414 WeakPolarHBondContact O-CG 3.37Å; L410-L414 PolarHBondContact O-N 3.48Å
411	A	70.1	Confident	69.2	Low	49 Å²	49	103.3 Å²	103.3	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-67.2	-39.8	173	0	0	0	0	0	111.9	L407 L408 E409 R415	L407-A411 WeakPolarHBondContact O-CB 3.21Å; L407-A411 PolarHBondContact O-N 3.42Å; L408-A411 PolarHBondContact O-N 2.85Å; E409-A411 VanDerWaalsContact C-N 3.32Å; E409-A411 PolarHBondContact O-N 3.37Å; A411-R415 WeakPolarHBondContact O-CB 3.26Å; A411-R415 PolarHBondContact O-N 3.38Å
412	F	73	Confident	68.4	Low	134 Å²	134	106.1 Å²	106.1	59%	0.588	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-43.2	171.7	-91.6	-72.4	0	0	0	111.1	L408 E409 R415 C416	L408-F412 WeakPolarHBondContact O-CB 3.2Å; L408-F412 WeakPolarHBondContact O-CD2 3.32Å; L408-F412 PolarHBondContact O-N 3.34Å; E409-F412 CarbonylContact O-C 3.5Å; E409-F412 WeakPolarHBondContact O-CB 3.36Å; E409-F412 PolarHBondContact O-N 2.93Å; E409-F412 VanDerWaalsContact O-N 3.15Å; F412-R415 CarbonylContact O-C 3.58Å; F412-R415 PolarHBondContact O-N 3.46Å; F412-C416 WeakPolarHBondContact O-CB 3.35Å; F412-C416 PolarHBondContact O-N 2.74Å; F412-C416 PolarHBondContact O-SG 3.3Å
413	W	69.9	Low	67.5	Low	173 Å²	173	106.9 Å²	106.9	66%	0.655	50%	0.504	S	S	*	.	H	α-helix	trans	-66.7	-46.5	-179.5	-154.3	85.9	0	0	0	111.3	E409 L410 R415 C416 T417	E409-W413 WeakPolarHBondContact O-CB 3.44Å; E409-W413 PolarHBondContact O-N 3.47Å; L410-W413 PolarHBondContact O-N 2.7Å; W413-R415 VanDerWaalsContact C-N 3.32Å; W413-R415 PolarHBondContact O-N 2.8Å; W413-C416 PolarHBondContact O-N 3.39Å; W413-T417 HydrophobicContact CD2-CG2 3.74Å; W413-T417 HydrophobicContact CE3-CG2 3.8Å; W413-T417 HydrophobicContact CG-CG2 4.46Å; W413-T417 HydrophobicContact CH2-CG2 3.88Å; W413-T417 HydrophobicContact CZ2-CG2 3.81Å; W413-T417 HydrophobicContact CZ3-CG2 3.87Å; W413-T417 WeakPolarHBondContact O-CB 3.43Å; W413-T417 PolarHBondContact O-N 2.85Å; W413-T417 PolarHBondContact O-OG1 2.99Å
414	L	70.1	Confident	67.2	Low	90 Å²	90	110.1 Å²	110.1	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-59.6	-42.9	171	-78.5	168.2	0	0	0	111	L410 C416 Y418	L410-L414 HydrophobicContact CD2-CD1 3.57Å; L410-L414 HydrophobicContact CD2-CG 4.36Å; L410-L414 HydrophobicContact CG-CD1 4.41Å; L410-L414 VanDerWaalsContact O-CB 3.32Å; L410-L414 WeakPolarHBondContact O-CB 3.46Å; L410-L414 WeakPolarHBondContact O-CG 3.37Å; L410-L414 PolarHBondContact O-N 3.48Å; L414-C416 VanDerWaalsContact C-N 3.34Å; L414-C416 PolarHBondContact O-N 3.15Å; L414-Y418 WeakPolarHBondContact O-CA 3.26Å; L414-Y418 WeakPolarHBondContact O-CB 3.26Å; L414-Y418 PolarHBondContact O-N 2.83Å
415	R	74.6	Confident	66.4	Low	179 Å²	179	113.5 Å²	113.5	68%	0.675	53%	0.528	S	S	*	.	H	α-helix	trans	-65.7	-37.2	178.1	-172	173.7	-176.5	160.8	0.8	112.1	A411 F412 W413 R419	A411-R415 WeakPolarHBondContact O-CB 3.26Å; A411-R415 PolarHBondContact O-N 3.38Å; F412-R415 CarbonylContact O-C 3.58Å; F412-R415 PolarHBondContact O-N 3.46Å; W413-R415 VanDerWaalsContact C-N 3.32Å; W413-R415 PolarHBondContact O-N 2.8Å; R415-R419 WeakPolarHBondContact O-CB 3.47Å; R415-R419 PolarHBondContact O-N 3.45Å
416	C	71	Confident	65.7	Low	84 Å²	84	109.4 Å²	109.4	57%	0.568	51%	0.514	S	S	*	.	H	α-helix	trans	-78.1	-48.9	-179.9	-71	0	0	0	0	112.1	F412 W413 L414 S420	F412-C416 WeakPolarHBondContact O-CB 3.35Å; F412-C416 PolarHBondContact O-N 2.74Å; F412-C416 PolarHBondContact O-SG 3.3Å; W413-C416 PolarHBondContact O-N 3.39Å; L414-C416 VanDerWaalsContact C-N 3.34Å; L414-C416 PolarHBondContact O-N 3.15Å; C416-S420 WeakPolarHBondContact O-CB 3.4Å; C416-S420 PolarHBondContact O-N 3.4Å; C416-S420 PolarHBondContact O-OG 2.91Å
417	T	65.4	Low	65.1	Low	36 Å²	36	107.7 Å²	107.7	22%	0.221	51%	0.511	C	S	.	.	H	α-helix	trans	-73.4	-41.1	-179	54.1	0	0	0	0	112.7	W413 S420 Q421	W413-T417 HydrophobicContact CD2-CG2 3.74Å; W413-T417 HydrophobicContact CE3-CG2 3.8Å; W413-T417 HydrophobicContact CG-CG2 4.46Å; W413-T417 HydrophobicContact CH2-CG2 3.88Å; W413-T417 HydrophobicContact CZ2-CG2 3.81Å; W413-T417 HydrophobicContact CZ3-CG2 3.87Å; W413-T417 WeakPolarHBondContact O-CB 3.43Å; W413-T417 PolarHBondContact O-N 2.85Å; W413-T417 PolarHBondContact O-OG1 2.99Å; T417-S420 PolarHBondContact O-N 3.36Å; T417-S420 PolarHBondContact O-OG 3.47Å; T417-Q421 WeakPolarHBondContact O-CB 3.23Å; T417-Q421 WeakPolarHBondContact O-CG 3.34Å; T417-Q421 PolarHBondContact O-N 2.81Å
418	Y	56.4	Low	64.7	Low	151 Å²	151	110.5 Å²	110.5	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-73.2	-32.9	178.4	-149.6	-92.2	0	0	0	110.9	L414 F422	L414-Y418 WeakPolarHBondContact O-CA 3.26Å; L414-Y418 WeakPolarHBondContact O-CB 3.26Å; L414-Y418 PolarHBondContact O-N 2.83Å; Y418-F422 WeakPolarHBondContact O-CB 3.16Å; Y418-F422 PolarHBondContact O-N 2.93Å
419	R	54.9	Low	63.8	Low	180 Å²	180	113.6 Å²	113.6	68%	0.679	54%	0.535	S	S	*	.	H	α-helix	trans	-70.5	-37.6	173.7	-167.1	-179	-172.8	-164.1	1	111.9	R415 L423	R415-R419 WeakPolarHBondContact O-CB 3.47Å; R415-R419 PolarHBondContact O-N 3.45Å; R419-L423 WeakPolarHBondContact O-CB 3.37Å; R419-L423 PolarHBondContact O-N 2.84Å
420	S	57.4	Low	62.8	Low	68 Å²	68	112.7 Å²	112.7	48%	0.476	53%	0.534	S	S	.	.	H	α-helix	trans	-68.3	-45.7	175.7	64.1	0	0	0	0	111.8	C416 T417 F422 L423 E424	C416-S420 WeakPolarHBondContact O-CB 3.4Å; C416-S420 PolarHBondContact O-N 3.4Å; C416-S420 PolarHBondContact O-OG 2.91Å; T417-S420 PolarHBondContact O-N 3.36Å; T417-S420 PolarHBondContact O-OG 3.47Å; S420-F422 PolarHBondContact O-N 3.24Å; S420-L423 PolarHBondContact O-N 3.38Å; S420-E424 WeakPolarHBondContact O-CB 3.36Å; S420-E424 PolarHBondContact O-N 2.91Å
421	Q	56.7	Low	61.7	Low	104 Å²	104	110.4 Å²	110.4	49%	0.486	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-36	176.5	-72.4	-175.6	1	0	0	112.8	T417 R425	T417-Q421 WeakPolarHBondContact O-CB 3.23Å; T417-Q421 WeakPolarHBondContact O-CG 3.34Å; T417-Q421 PolarHBondContact O-N 2.81Å; Q421-R425 WeakPolarHBondContact O-CG 2.91Å; Q421-R425 PolarHBondContact O-N 2.62Å
422	F	58.3	Low	60.6	Low	125 Å²	125	115.6 Å²	115.6	55%	0.548	55%	0.551	S	S	.	*	H	α-helix	trans	-69.2	-43.8	174.5	-176.2	-98.9	0	0	0	111.3	Y418 S420 E424 R425 V426	Y418-F422 WeakPolarHBondContact O-CB 3.16Å; Y418-F422 PolarHBondContact O-N 2.93Å; S420-F422 PolarHBondContact O-N 3.24Å; F422-E424 VanDerWaalsContact C-N 3.29Å; F422-E424 PolarHBondContact O-N 2.91Å; F422-R425 PolarHBondContact O-N 3.26Å; F422-V426 HydrophobicContact CD1-CG2 3.9Å; F422-V426 HydrophobicContact CD2-CG2 4.47Å; F422-V426 HydrophobicContact CE1-CG2 3.54Å; F422-V426 HydrophobicContact CE2-CG2 4.15Å; F422-V426 HydrophobicContact CG-CG2 4.36Å; F422-V426 HydrophobicContact CZ-CG2 3.68Å; F422-V426 WeakPolarHBondContact O-CB 3.39Å; F422-V426 VanDerWaalsContact O-CG2 3.23Å; F422-V426 WeakPolarHBondContact O-CG2 3.49Å; F422-V426 PolarHBondContact O-N 2.89Å
423	L	57.5	Low	59.1	Low	108 Å²	108	117.5 Å²	117.5	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-59.7	-43.4	175.5	-165.3	77.7	0	0	0	110.3	R419 S420 V426 T427	R419-L423 WeakPolarHBondContact O-CB 3.37Å; R419-L423 PolarHBondContact O-N 2.84Å; S420-L423 PolarHBondContact O-N 3.38Å; L423-V426 PolarHBondContact O-N 3.17Å; L423-T427 WeakPolarHBondContact O-CG2 3.34Å; L423-T427 PolarHBondContact O-N 3.18Å; L423-T427 PolarHBondContact O-OG1 3.42Å
424	E	63.3	Low	57.4	Low	105 Å²	105	116 Å²	116	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-63.3	-42.7	178.1	-159.2	-167	148.2	0	0	112.4	S420 F422 T427 K428	S420-E424 WeakPolarHBondContact O-CB 3.36Å; S420-E424 PolarHBondContact O-N 2.91Å; F422-E424 VanDerWaalsContact C-N 3.29Å; F422-E424 PolarHBondContact O-N 2.91Å; E424-T427 VanDerWaalsContact CA-OG1 3.25Å; E424-T427 WeakPolarHBondContact CA-OG1 3.46Å; E424-T427 PolarHBondContact O-N 3.45Å; E424-T427 PolarHBondContact O-OG1 3.27Å; E424-K428 WeakPolarHBondContact O-CB 3.27Å; E424-K428 PolarHBondContact O-N 2.88Å; E424-K428 IonicContact OE1-NZ 2.86Å; E424-K428 PolarHBondContact OE1-NZ 3.22Å
425	R	57.6	Low	55.6	Low	169 Å²	169	119.8 Å²	119.8	64%	0.638	58%	0.579	S	S	*	*	H	α-helix	trans	-64.2	-40.8	173.8	-78.3	-174.1	-156.7	-177.2	7.1	112.2	Q421 F422 K428 M429	Q421-R425 WeakPolarHBondContact O-CG 2.91Å; Q421-R425 PolarHBondContact O-N 2.62Å; F422-R425 PolarHBondContact O-N 3.26Å; R425-K428 PolarHBondContact O-N 3.24Å; R425-M429 VanDerWaalsContact O-CG 3.24Å; R425-M429 WeakPolarHBondContact O-CG 2.93Å; R425-M429 PolarHBondContact O-N 3.48Å
426	V	60.6	Low	53.6	Low	48 Å²	48	117 Å²	117	29%	0.291	58%	0.576	S	S	.	*	H	α-helix	trans	-66.9	-42.3	177.9	169.2	0	0	0	0	110.3	F422 L423 K428 M429 L430	F422-V426 HydrophobicContact CD1-CG2 3.9Å; F422-V426 HydrophobicContact CD2-CG2 4.47Å; F422-V426 HydrophobicContact CE1-CG2 3.54Å; F422-V426 HydrophobicContact CE2-CG2 4.15Å; F422-V426 HydrophobicContact CG-CG2 4.36Å; F422-V426 HydrophobicContact CZ-CG2 3.68Å; F422-V426 WeakPolarHBondContact O-CB 3.39Å; F422-V426 VanDerWaalsContact O-CG2 3.23Å; F422-V426 WeakPolarHBondContact O-CG2 3.49Å; F422-V426 PolarHBondContact O-N 2.89Å; L423-V426 PolarHBondContact O-N 3.17Å; V426-K428 PolarHBondContact O-N 3.18Å; V426-M429 PolarHBondContact O-N 3.28Å; V426-L430 HydrophobicContact CG1-CD1 3.53Å; V426-L430 WeakPolarHBondContact O-CB 3.48Å; V426-L430 WeakPolarHBondContact O-CD1 3.07Å; V426-L430 PolarHBondContact O-N 3.36Å
427	T	61.2	Low	51.8	Low	77 Å²	77	120 Å²	120	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-65.4	-35.8	174.7	47.1	0	0	0	0	112.8	L423 E424 L430 G431	L423-T427 WeakPolarHBondContact O-CG2 3.34Å; L423-T427 PolarHBondContact O-N 3.18Å; L423-T427 PolarHBondContact O-OG1 3.42Å; E424-T427 VanDerWaalsContact CA-OG1 3.25Å; E424-T427 WeakPolarHBondContact CA-OG1 3.46Å; E424-T427 PolarHBondContact O-N 3.45Å; E424-T427 PolarHBondContact O-OG1 3.27Å; T427-L430 PolarHBondContact O-N 3.28Å; T427-G431 PolarHBondContact O-N 2.78Å
428	K	60.2	Low	50.1	Low	132 Å²	132	124.8 Å²	124.8	57%	0.574	61%	0.609	S	S	*	*	H	α-helix	trans	-66.5	-38.9	173.2	-86.9	173.1	174.1	150.7	0	112.3	E424 R425 V426 Q432	E424-K428 WeakPolarHBondContact O-CB 3.27Å; E424-K428 PolarHBondContact O-N 2.88Å; E424-K428 IonicContact OE1-NZ 2.86Å; E424-K428 PolarHBondContact OE1-NZ 3.22Å; R425-K428 PolarHBondContact O-N 3.24Å; V426-K428 PolarHBondContact O-N 3.18Å; K428-Q432 PolarHBondContact O-N 2.88Å
429	M	53.1	Low	48.6	Very low	134 Å²	134	125.9 Å²	125.9	66%	0.66	62%	0.62	S	S	*	*	H	α-helix	trans	-70.1	-36.8	176	-69.4	-76.6	-79.9	0	0	112.3	R425 V426	R425-M429 VanDerWaalsContact O-CG 3.24Å; R425-M429 WeakPolarHBondContact O-CG 2.93Å; R425-M429 PolarHBondContact O-N 3.48Å; V426-M429 PolarHBondContact O-N 3.28Å
430	L	54.6	Low	47.5	Very low	116 Å²	116	122.9 Å²	122.9	61%	0.607	62%	0.623	S	S	*	*	H	α-helix	trans	-75.5	-34.5	177	-87.3	145	0	0	0	112.7	V426 T427 Q432 H433	V426-L430 HydrophobicContact CG1-CD1 3.53Å; V426-L430 WeakPolarHBondContact O-CB 3.48Å; V426-L430 WeakPolarHBondContact O-CD1 3.07Å; V426-L430 PolarHBondContact O-N 3.36Å; T427-L430 PolarHBondContact O-N 3.28Å; L430-Q432 VanDerWaalsContact C-N 3.28Å; L430-Q432 PolarHBondContact O-N 3.27Å; L430-H433 PolarHBondContact O-N 3.46Å
431	G	49	Very low	46.1	Very low	56 Å²	56	125.9 Å²	125.9	58%	0.577	63%	0.634	S	S	*	*	H	α-helix	trans	-66.3	-26.9	176.9	0	0	0	0	0	113.9	T427 H433	T427-G431 PolarHBondContact O-N 2.78Å; G431-H433 VanDerWaalsContact C-N 3.3Å; G431-H433 PolarHBondContact O-N 3.23Å
432	Q	48	Very low	44.7	Very low	159 Å²	159	127.1 Å²	127.1	74%	0.743	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-9.5	175.7	-76.7	-173.5	-33.4	0	0	114.2	K428 L430	K428-Q432 PolarHBondContact O-N 2.88Å; L430-Q432 VanDerWaalsContact C-N 3.28Å; L430-Q432 PolarHBondContact O-N 3.27Å
433	H	42.3	Very low	43.3	Very low	174 Å²	174	129.2 Å²	129.2	81%	0.806	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	7.7	179.9	-84.7	-39.3	0	0	0	114.7	L430 G431	L430-H433 PolarHBondContact O-N 3.46Å; G431-H433 VanDerWaalsContact C-N 3.3Å; G431-H433 PolarHBondContact O-N 3.23Å
434	M	33.7	Very low	42	Very low	142 Å²	142	130.8 Å²	130.8	70%	0.7	67%	0.667	S	S	*	*			trans	-119.6	55.2	173.6	-104.8	179.2	67.4	0	0	110.8	I436	M434-I436 VanDerWaalsContact C-N 3.3Å; M434-I436 HydrophobicContact CE-CD1 3.95Å; M434-I436 HydrophobicContact CG-CD1 4.32Å; M434-I436 HydrophobicContact CG-CG1 4.35Å; M434-I436 PolarHBondContact O-N 2.98Å
435	E	32.3	Very low	40.3	Very low	169 Å²	169	135.9 Å²	135.9	79%	0.79	69%	0.688	S	S	*	*			trans	-89.2	83.9	152.4	-149.8	168.5	-151.8	0	0	105.9	I437	E435-I437 VanDerWaalsContact C-N 3.27Å; E435-I437 HydrophobicContact CG-CG1 4.42Å; E435-I437 PolarHBondContact O-N 3.24Å
436	I	32.4	Very low	38.9	Very low	120 Å²	120	136.5 Å²	136.5	62%	0.615	70%	0.696	S	S	*	*			trans	-70.4	92.9	169.7	-63.6	169.9	0	0	0	104.9	M434 D438	M434-I436 VanDerWaalsContact C-N 3.3Å; M434-I436 HydrophobicContact CE-CD1 3.95Å; M434-I436 HydrophobicContact CG-CD1 4.32Å; M434-I436 HydrophobicContact CG-CG1 4.35Å; M434-I436 PolarHBondContact O-N 2.98Å; I436-D438 PolarHBondContact O-N 2.86Å
437	I	33.2	Very low	37.4	Very low	147 Å²	147	142.2 Å²	142.2	75%	0.754	73%	0.725	S	S	*	*			trans	-78.2	112.8	165	-63	173.7	0	0	0	105.7	E435	E435-I437 VanDerWaalsContact C-N 3.27Å; E435-I437 HydrophobicContact CG-CG1 4.42Å; E435-I437 PolarHBondContact O-N 3.24Å
438	D	29.9	Very low	35.9	Very low	136 Å²	136	146.8 Å²	146.8	73%	0.727	75%	0.745	S	S	*	*			trans	-49.2	143.3	176.3	-73.2	-48	0	0	0	112.8	I436	I436-D438 PolarHBondContact O-N 2.86Å
439	E	25.3	Very low	34.3	Very low	175 Å²	175	148.8 Å²	148.8	82%	0.818	76%	0.756	S	S	*	*			trans	-36.5	142.8	158.8	-108.9	176.2	154.9	0	0	112.5
440	P	30.1	Very low	33	Very low	116 Å²	116	150.1 Å²	150.1	75%	0.753	77%	0.766	S	S	*	*				-138.9	133.3	99.2	33.4	-18.8	0	0	0	114.3
441	N	28.9	Very low	31.8	Very low	132 Å²	132	149.2 Å²	149.2	71%	0.706	78%	0.775	S	S	*	*				50.8	115.8	129.5	-86.8	-12.2	0	0	0	120.5
442	D	27.7	Very low	30.7	Very low	129 Å²	129	153.3 Å²	153.3	69%	0.69	79%	0.79	S	S	*	*				91.4	122	125.4	-112.1	4	0	0	0	119.8
443	K	27.8	Very low	29.8	Very low	169 Å²	169	152.8 Å²	152.8	74%	0.735	79%	0.792	S	S	*	*			trans	74.2	90.1	155.4	-55.9	170.5	-171.7	173.5	0	117.3
444	T	30.3	Very low	29	Very low	141 Å²	141	153.4 Å²	153.4	87%	0.865	79%	0.792	S	S	*	*				-173.5	85.2	113.7	14.7	0	0	0	0	111.2	K446	T444-K446 VanDerWaalsContact C-N 3.34Å; T444-K446 PolarHBondContact O-N 2.62Å; T444-K446 VanDerWaalsContact O-N 3.11Å
445	F	28	Very low	28.6	Very low	213 Å²	213	154.4 Å²	154.4	93%	0.934	80%	0.8	S	S	*	*			trans	-75.2	86.5	163	-145.7	-90.2	0	0	0	107.8
446	K	27.5	Very low	28.2	Very low	182 Å²	182	151.2 Å²	151.2	79%	0.791	80%	0.796	S	S	*	*			trans	174.8	91.4	161.1	-100.3	165.2	-172	-175	0	109.3	T444	T444-K446 VanDerWaalsContact C-N 3.34Å; T444-K446 PolarHBondContact O-N 2.62Å; T444-K446 VanDerWaalsContact O-N 3.11Å
447	N	29.2	Very low	27.7	Very low	168 Å²	168	154.3 Å²	154.3	90%	0.898	81%	0.805	S	S	*	*			trans	179.1	58.6	141.5	-85.9	-16.6	0	0	0	108.8
448	L	30.1	Very low	27.3	Very low	172 Å²	172	152.6 Å²	152.6	90%	0.901	80%	0.802	S	S	*	*			trans	-107.4	68.9	163.5	-169.3	80	0	0	0	107.5
449	Q	27.4	Very low	27	Very low	174 Å²	174	154 Å²	154	81%	0.813	80%	0.804	S	S	*	*	S	Bend	trans	178.5	98	161.2	-103.5	163.3	13.6	0	0	108.1
450	N	26.5	Very low	27.2	Very low	162 Å²	162	153 Å²	153	87%	0.866	81%	0.805	S	S	*	*	S	Bend	trans	143.4	68.2	153.6	-72.2	-12.9	0	0	0	111.9
451	A	29.4	Very low	26.9	Very low	97 Å²	97	152 Å²	152	80%	0.802	80%	0.796	S	S	*	*			trans	-158.9	43	150.7	0	0	0	0	0	111.2	N453	A451-N453 PolarHBondContact O-N 2.96Å; A451-N453 VanDerWaalsContact O-N 3.1Å
452	T	25.9	Very low	26.5	Very low	143 Å²	143	155.8 Å²	155.8	88%	0.877	80%	0.801	S	S	*	*			trans	-80.8	71.6	160.5	-8.4	0	0	0	0	107.6
453	N	27.4	Very low	26.4	Very low	148 Å²	148	157.9 Å²	157.9	79%	0.791	81%	0.806	S	S	*	*			trans	-131.9	101.8	165.6	-93.2	-21.6	0	0	0	108.6	A451	A451-N453 PolarHBondContact O-N 2.96Å; A451-N453 VanDerWaalsContact O-N 3.1Å
454	K	26.4	Very low	26.4	Very low	187 Å²	187	156.7 Å²	156.7	81%	0.813	81%	0.806	S	S	*	*			trans	39.8	103.4	148.9	-73.3	176.3	174.1	176.6	0	117	S456	K454-S456 PolarHBondContact O-N 3.46Å; K454-S456 VanDerWaalsContact O-N 3.15Å
455	L	24.8	Very low	26.2	Very low	163 Å²	163	158.3 Å²	158.3	85%	0.853	80%	0.804	S	S	*	*				24.8	83.6	110	-146	100.4	0	0	0	114.4	F457	L455-F457 HydrophobicContact CD2-CD2 4.5Å
456	S	23.9	Very low	26	Very low	102 Å²	102	155.5 Å²	155.5	71%	0.713	80%	0.799	S	S	*	*			trans	-109.7	98.1	156.4	46.7	0	0	0	0	107.9	K454 T458	K454-S456 PolarHBondContact O-N 3.46Å; K454-S456 VanDerWaalsContact O-N 3.15Å; S456-T458 PolarHBondContact O-N 2.79Å; S456-T458 VanDerWaalsContact O-N 3.09Å
457	F	22.9	Very low	26	Very low	184 Å²	184	156 Å²	156	81%	0.807	80%	0.801	S	S	*	*			trans	-59.5	101.5	154.3	-102.7	-101.4	0	0	0	107.2	L455 E459	L455-F457 HydrophobicContact CD2-CD2 4.5Å; F457-E459 PolarHBondContact O-N 3.45Å
458	T	24.7	Very low	25.8	Very low	111 Å²	111	159 Å²	159	68%	0.681	80%	0.8	S	S	*	*			trans	-86.9	89.6	159	27	0	0	0	0	108	S456 N460	S456-T458 PolarHBondContact O-N 2.79Å; S456-T458 VanDerWaalsContact O-N 3.09Å; T458-N460 VanDerWaalsContact C-N 3.3Å; T458-N460 PolarHBondContact O-N 3.01Å
459	E	23.9	Very low	25.5	Very low	166 Å²	166	161.9 Å²	161.9	78%	0.776	80%	0.798	S	S	*	*			trans	-57.6	95	154.8	-125.1	173.6	176.4	0	0	107.6	F457 V461	F457-E459 PolarHBondContact O-N 3.45Å; E459-V461 VanDerWaalsContact C-N 3.32Å; E459-V461 HydrophobicContact CB-CG2 4.44Å; E459-V461 PolarHBondContact O-N 3.03Å
460	N	28.2	Very low	25.4	Very low	155 Å²	155	160.5 Å²	160.5	83%	0.829	80%	0.797	S	S	*	*			trans	-72.8	97.4	167.9	-77.3	-16.2	0	0	0	108.2	T458	T458-N460 VanDerWaalsContact C-N 3.3Å; T458-N460 PolarHBondContact O-N 3.01Å
461	V	23.4	Very low	25.4	Very low	95 Å²	95	162.1 Å²	162.1	58%	0.576	80%	0.796	S	S	*	*			trans	-85.7	140	176.9	152.3	0	0	0	0	109.4	E459	E459-V461 VanDerWaalsContact C-N 3.32Å; E459-V461 HydrophobicContact CB-CG2 4.44Å; E459-V461 PolarHBondContact O-N 3.03Å
462	W	22.2	Very low	25.3	Very low	211 Å²	211	164.9 Å²	164.9	80%	0.799	80%	0.796	S	S	*	*			trans	73.4	101.2	166.8	-62.4	118.4	0	0	0	120.5
463	Q	23.9	Very low	25.2	Very low	173 Å²	173	162.6 Å²	162.6	81%	0.808	79%	0.786	S	S	*	*				-158.9	77.4	128.4	-90.3	-65.8	-42.6	0	0	108.6
464	I	28.4	Very low	25.2	Very low	143 Å²	143	162.5 Å²	162.5	73%	0.733	79%	0.786	S	S	*	*			trans	-127.2	103.2	158.3	-66.4	178.8	0	0	0	107	N466	I464-N466 PolarHBondContact O-N 3.41Å
465	Q	26	Very low	25.1	Very low	176 Å²	176	163.8 Å²	163.8	82%	0.822	79%	0.786	S	S	*	*			trans	-66.7	114.8	173.3	-83.3	-172.3	-18.7	0	0	110.4	K467	Q465-K467 PolarHBondContact O-N 3.43Å
466	N	24.5	Very low	25	Very low	154 Å²	154	162.6 Å²	162.6	82%	0.824	78%	0.78	S	S	*	*			trans	-62.2	117.5	160.2	-83	-42.2	0	0	0	110.6	I464	I464-N466 PolarHBondContact O-N 3.41Å
467	K	27.5	Very low	25	Very low	191 Å²	191	164.9 Å²	164.9	83%	0.83	78%	0.783	S	S	*	*			trans	-115.5	102.6	159.5	-137.7	174.9	-171.8	175.6	0	109.1	Q465	Q465-K467 PolarHBondContact O-N 3.43Å
468	R	25.3	Very low	24.9	Very low	232 Å²	232	161.4 Å²	161.4	88%	0.875	78%	0.781	S	S	*	*			trans	66.2	96.6	150.3	-67.4	-178.9	177.3	174.5	-1.7	119.6
469	R	22.2	Very low	25.1	Very low	232 Å²	232	160.7 Å²	160.7	88%	0.875	78%	0.779	S	S	*	*			trans	-38.3	136.8	133.9	-87.9	-179.7	-177.4	166.1	1	114.4
470	N	25.2	Very low	25	Very low	146 Å²	146	161.3 Å²	161.3	78%	0.781	78%	0.781	S	S	*	*				151.2	114.6	111.8	-91.3	-15.8	0	0	0	112
471	K	27.9	Very low	24.8	Very low	195 Å²	195	164.8 Å²	164.8	85%	0.848	78%	0.783	S	S	*	*				-171.6	116.8	119	-106.8	177.3	176.1	178.2	0	111.5
472	L	27.5	Very low	24.7	Very low	155 Å²	155	168.9 Å²	168.9	81%	0.812	80%	0.796	S	S	*	*			trans	44.6	114	149.8	-84.6	75	0	0	0	118.6
473	S	23	Very low	24.8	Very low	95 Å²	95	167.1 Å²	167.1	66%	0.664	79%	0.794	S	S	*	*				57.3	96.8	62.5	-177.1	0	0	0	0	115.2
474	N	27.8	Very low	24.8	Very low	146 Å²	146	166.5 Å²	166.5	78%	0.781	79%	0.791	S	S	*	*				-174.1	108.6	125	-101.4	-12.3	0	0	0	108.3
475	R	23	Very low	24.4	Very low	215 Å²	215	166.9 Å²	166.9	81%	0.811	79%	0.79	S	S	*	*				57.7	103.3	88.6	-93.7	-175.5	175.2	176.7	-0.8	114.5
476	N	22.5	Very low	24.3	Very low	137 Å²	137	166.9 Å²	166.9	73%	0.733	79%	0.787	S	S	*	*				65.1	141.2	120.2	-68.4	-0.5	0	0	0	121
477	I	24	Very low	24.1	Very low	151 Å²	151	166 Å²	166	77%	0.774	78%	0.782	S	S	*	*			trans	95.4	98.6	154.9	-60.9	146.2	0	0	0	115.8
478	S	22	Very low	23.9	Very low	111 Å²	111	162.7 Å²	162.7	78%	0.776	77%	0.769	S	S	*	*			trans	-56.5	141.1	135.5	56.9	0	0	0	0	109.5
479	P	28	Very low	23.7	Very low	96 Å²	96	156.8 Å²	156.8	62%	0.623	76%	0.764	S	S	*	*				-149.9	163.8	86.5	38.3	-20.3	0	0	0	115.4
480	Q	21.7	Very low	23.6	Very low	178 Å²	178	154.7 Å²	154.7	83%	0.832	76%	0.762	S	S	*	*			trans	40.9	118.7	139.7	-69.8	175.1	-39	0	0	119.7
481	R	24.5	Very low	23.4	Very low	228 Å²	228	158.6 Å²	158.6	86%	0.86	77%	0.765	S	S	*	*				-160.5	107.9	111.8	-111.5	174.2	-176.6	-177.8	2.8	111.4
482	Q	20.6	Very low	23.1	Very low	181 Å²	181	154.9 Å²	154.9	85%	0.846	76%	0.761	S	S	*	*			trans	-60	138.1	147.5	-69.2	167.8	-22.6	0	0	108.9
483	K	26	Very low	22.8	Very low	174 Å²	174	153.7 Å²	153.7	76%	0.757	76%	0.76	S	S	*	*			trans	-142.4	98.2	143.2	-88.4	-172.9	174.9	-178.5	0	105.2
484	Q	22.2	Very low	22.5	Very low	160 Å²	160	155.3 Å²	155.3	75%	0.748	77%	0.766	S	S	*	*				58.6	102.8	93.6	-78.4	179.4	-24.2	0	0	111
485	Q	20.6	Very low	22.2	Very low	152 Å²	152	153.1 Å²	153.1	71%	0.71	76%	0.762	S	S	*	*				65.4	107.2	80.2	-163.6	-179.6	30.8	0	0	110.8
486	K	24.3	Very low	22	Very low	175 Å²	175	150 Å²	150	76%	0.761	76%	0.76	S	S	*	*			trans	-133.5	88.3	150.5	-130.2	-171.9	-174.3	-156.8	0	108.1	E488	K486-E488 VanDerWaalsContact CE-OE1 3.25Å; K486-E488 WeakPolarHBondContact CE-OE1 3.45Å; K486-E488 IonicContact NZ-OE1 2.7Å; K486-E488 PolarHBondContact NZ-OE1 3.5Å; K486-E488 PolarHBondContact O-N 2.88Å
487	N	20.1	Very low	22.1	Very low	135 Å²	135	148.5 Å²	148.5	72%	0.722	76%	0.761	S	S	*	*			trans	-69.5	110.9	151.7	-79.5	-18.6	0	0	0	106.2
488	E	24.4	Very low	21.8	Very low	122 Å²	122	150.1 Å²	150.1	57%	0.57	76%	0.762	S	S	*	*			trans	-104.9	94.9	158.5	-86.3	179	-170.9	0	0	108.2	K486 F490	K486-E488 VanDerWaalsContact CE-OE1 3.25Å; K486-E488 WeakPolarHBondContact CE-OE1 3.45Å; K486-E488 IonicContact NZ-OE1 2.7Å; K486-E488 PolarHBondContact NZ-OE1 3.5Å; K486-E488 PolarHBondContact O-N 2.88Å; E488-F490 PolarHBondContact O-N 3.41Å
489	S	20.2	Very low	21.7	Very low	109 Å²	109	156.5 Å²	156.5	76%	0.762	77%	0.769	S	S	*	*			trans	-62.3	116.6	155.7	52	0	0	0	0	109.3
490	F	20.9	Very low	21.2	Very low	188 Å²	188	157.3 Å²	157.3	83%	0.825	78%	0.777	S	S	*	*			trans	-110.9	105.3	157.2	-95.8	-86	0	0	0	109.1	E488	E488-F490 PolarHBondContact O-N 3.41Å
491	R	20.4	Very low	21.3	Very low	227 Å²	227	153.9 Å²	153.9	86%	0.857	77%	0.773	S	S	*	*			trans	-63.7	151.2	168.9	-90.2	-177.7	174.1	-176.9	-1.3	110.6
492	P	20.9	Very low	21.1	Very low	118 Å²	118	151.4 Å²	151.4	77%	0.766	77%	0.771	S	S	*	*			trans	-75.4	130.2	-179.1	31.3	-32.2	0	0	0	110.8	T494	P492-T494 PolarHBondContact O-N 3Å
493	V	21	Very low	21.3	Very low	129 Å²	129	149.9 Å²	149.9	78%	0.782	77%	0.768	S	S	*	*			trans	-83.9	98.5	168.8	177.5	0	0	0	0	108
494	T	18.1	Very low	21	Very low	130 Å²	130	150 Å²	150	80%	0.798	77%	0.772	S	S	*	*			trans	-71.7	114.3	148.9	31	0	0	0	0	108.4	P492	P492-T494 PolarHBondContact O-N 3Å
495	S	20.6	Very low	21.1	Very low	100 Å²	100	148.3 Å²	148.3	70%	0.699	77%	0.774	S	S	*	*			trans	-134.7	103.8	154	53.2	0	0	0	0	109.4	S497	S495-S497 PolarHBondContact O-N 3.36Å
496	I	19.4	Very low	21.1	Very low	150 Å²	150	150.5 Å²	150.5	77%	0.769	78%	0.781	S	S	*	*			trans	-63.9	113.3	166.2	-68.8	154.2	0	0	0	107.2	K498	I496-K498 HydrophobicContact CG2-CG 4.37Å; I496-K498 PolarHBondContact O-N 3.29Å
497	S	25.1	Very low	21	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	78%	0.778	S	S	*	*			trans	-83.4	97.1	163.3	46.4	0	0	0	0	109	S495 W499	S495-S497 PolarHBondContact O-N 3.36Å; S497-W499 PolarHBondContact O-N 3.02Å
498	K	17.9	Very low	21.2	Very low	185 Å²	185	147.8 Å²	147.8	80%	0.804	78%	0.782	S	S	*	*			trans	-64	109.2	156.7	-79	175.6	175.2	175.3	0	108.2	I496	I496-K498 HydrophobicContact CG2-CG 4.37Å; I496-K498 PolarHBondContact O-N 3.29Å
499	W	19.8	Very low	21	Very low	244 Å²	244	147.5 Å²	147.5	92%	0.924	79%	0.794	S	S	*	*			trans	-111.6	96.5	157.7	-87	39.4	0	0	0	108.2	S497	S497-W499 PolarHBondContact O-N 3.02Å
500	S	17.6	Very low	21.2	Very low	114 Å²	114	151.5 Å²	151.5	80%	0.797	79%	0.794	S	S	*	*			trans	-73	125.2	154.9	50.6	0	0	0	0	108.7
501	S	23.1	Very low	21.2	Very low	106 Å²	106	152.3 Å²	152.3	74%	0.741	80%	0.797	S	S	*	*			trans	-153.6	111.2	148.4	56.9	0	0	0	0	108.4	D503	S501-D503 PolarHBondContact O-N 3.15Å
502	H	19.6	Very low	21.3	Very low	176 Å²	176	151.8 Å²	151.8	82%	0.815	80%	0.796	S	S	*	*			trans	-43.9	128.9	150.3	-80.4	-91.8	0	0	0	109.7
503	D	25.6	Very low	21.3	Very low	148 Å²	148	150.7 Å²	150.7	79%	0.791	79%	0.791	S	S	*	*				-176.7	126.2	111.9	-90.4	-22.9	0	0	0	110.3	S501	S501-D503 PolarHBondContact O-N 3.15Å
504	Q	18.4	Very low	21.3	Very low	178 Å²	178	151.8 Å²	151.8	83%	0.832	79%	0.792	S	S	*	*			trans	-66.4	139.6	161.6	-73.9	178.9	-15.1	0	0	108.5
505	P	25.1	Very low	21.5	Very low	123 Å²	123	152.2 Å²	152.2	80%	0.799	79%	0.788	S	S	*	*				-123.4	131.2	126.9	24.4	-10.8	0	0	0	110.8
506	K	21.5	Very low	21.5	Very low	198 Å²	198	152.8 Å²	152.8	86%	0.861	79%	0.791	S	S	*	*			trans	-54.6	136.7	165.2	-65.8	168.2	175.4	173.3	0	109.8
507	G	22.1	Very low	21.7	Very low	67 Å²	67	151.5 Å²	151.5	69%	0.691	79%	0.79	S	S	*	*			trans	132.4	107.4	148.9	0	0	0	0	0	116.9
508	K	24.3	Very low	21.7	Very low	186 Å²	186	152.4 Å²	152.4	81%	0.809	79%	0.794	S	S	*	*			trans	82	110.5	151.4	-59.8	-177.1	179.8	179	0	117.3	Y510	K508-Y510 PolarHBondContact O-N 3.27Å
509	S	20.1	Very low	22	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	79%	0.789	S	S	*	*			trans	-52.5	119.6	168.7	58.7	0	0	0	0	111.9
510	Y	23.7	Very low	22.1	Very low	194 Å²	194	148.5 Å²	148.5	76%	0.761	79%	0.789	S	S	*	*			trans	-102.2	112.4	156.4	-69.3	-80.7	0	0	0	107.7	K508 Y512	K508-Y510 PolarHBondContact O-N 3.27Å; Y510-Y512 WeakPolarHBondContact O-CD2 3.18Å; Y510-Y512 PolarHBondContact O-N 3.28Å; Y510-Y512 VanDerWaalsContact O-N 3.15Å
511	K	21.9	Very low	22.5	Very low	205 Å²	205	150.7 Å²	150.7	89%	0.891	79%	0.791	S	S	*	*			trans	-58.3	111.1	169.8	-94.7	177.3	170.2	177.3	0	108.2	S513	K511-S513 PolarHBondContact O-N 3.32Å
512	Y	21.4	Very low	22.7	Very low	216 Å²	216	154.9 Å²	154.9	85%	0.847	80%	0.796	S	S	*	*			trans	-76.2	98.2	166.3	-70.9	-88.1	0	0	0	108.6	Y510	Y510-Y512 WeakPolarHBondContact O-CD2 3.18Å; Y510-Y512 PolarHBondContact O-N 3.28Å; Y510-Y512 VanDerWaalsContact O-N 3.15Å
513	S	21.1	Very low	23.2	Very low	95 Å²	95	152.4 Å²	152.4	66%	0.664	80%	0.798	S	S	*	*			trans	-94.2	101.3	160.2	57.9	0	0	0	0	108.1	K511 I515	K511-S513 PolarHBondContact O-N 3.32Å; S513-I515 PolarHBondContact O-N 3.33Å; S513-I515 VanDerWaalsContact O-N 3.16Å
514	L	21.4	Very low	23.2	Very low	152 Å²	152	156.3 Å²	156.3	80%	0.796	80%	0.802	S	S	*	*			trans	-64.2	107.5	165.2	-92.3	98.1	0	0	0	108.3
515	I	22.1	Very low	23.7	Very low	138 Å²	138	152.8 Å²	152.8	71%	0.708	79%	0.793	S	S	*	*			trans	-107.3	102.2	165.3	-62.7	174.3	0	0	0	106.1	S513 T517	S513-I515 PolarHBondContact O-N 3.33Å; S513-I515 VanDerWaalsContact O-N 3.16Å; I515-T517 HydrophobicContact CG2-CG2 4.46Å; I515-T517 PolarHBondContact O-N 2.68Å
516	C	20.3	Very low	23.9	Very low	113 Å²	113	152.6 Å²	152.6	76%	0.764	79%	0.794	S	S	*	*			trans	-79.8	102.9	170.4	-69.8	0	0	0	0	108.6
517	T	24.4	Very low	24.3	Very low	122 Å²	122	149.5 Å²	149.5	75%	0.748	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.2	125.1	166.2	41.6	0	0	0	0	109.5	I515 S519	I515-T517 HydrophobicContact CG2-CG2 4.46Å; I515-T517 PolarHBondContact O-N 2.68Å; T517-S519 PolarHBondContact O-N 2.85Å
518	P	24	Very low	24.4	Very low	125 Å²	125	155.4 Å²	155.4	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-70	116.3	-175.2	27.5	-32.3	0	0	0	110.1	R520	P518-R520 PolarHBondContact O-N 3.47Å
519	S	23.8	Very low	24.7	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.9	127.2	162.8	44.8	0	0	0	0	108.2	T517 L521	T517-S519 PolarHBondContact O-N 2.85Å; S519-L521 PolarHBondContact O-N 2.9Å
520	R	23.6	Very low	25.1	Very low	246 Å²	246	153.1 Å²	153.1	93%	0.928	77%	0.771	S	S	*	*			trans	-51.7	106.1	174.2	-72.6	-173.9	175.9	-166.4	-0.6	108.8	P518 K522	P518-R520 PolarHBondContact O-N 3.47Å; R520-K522 PolarHBondContact O-N 3.34Å; R520-K522 VanDerWaalsContact O-N 3.14Å
521	L	25.8	Very low	25.2	Very low	160 Å²	160	150.5 Å²	150.5	84%	0.838	77%	0.769	S	S	*	*			trans	-61.4	117.4	171.1	-109.9	88.4	0	0	0	107.6	S519 S523	S519-L521 PolarHBondContact O-N 2.9Å; L521-S523 PolarHBondContact O-N 2.85Å
522	K	26	Very low	25.5	Very low	194 Å²	194	146.9 Å²	146.9	84%	0.843	76%	0.759	S	S	*	*			trans	-53.2	135.3	167.4	-75.7	177.7	174.1	177.9	0	108.6	R520 R524	R520-K522 PolarHBondContact O-N 3.34Å; R520-K522 VanDerWaalsContact O-N 3.14Å; K522-R524 PolarHBondContact O-N 3.41Å
523	S	30.1	Very low	25.7	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	76%	0.755	S	S	*	*	S	Bend	trans	-60.7	94.5	178.3	59.1	0	0	0	0	111.7	L521	L521-S523 PolarHBondContact O-N 2.85Å
524	R	26.9	Very low	25.9	Very low	230 Å²	230	144.8 Å²	144.8	87%	0.868	76%	0.761	S	S	*	*			trans	-176	113.6	167.3	-111.7	178.6	174.7	-178.9	-1	105.1	K522	K522-R524 PolarHBondContact O-N 3.41Å
525	T	28.2	Very low	26	Very low	105 Å²	105	145.2 Å²	145.2	64%	0.644	76%	0.756	S	S	*	*			cis	-143	124.7	16.2	43.4	0	0	0	0	106.3	N527	T525-N527 PolarHBondContact O-N 3.25Å; T525-N527 PolarHBondContact OG1-OD1 3.36Å
526	S	28.6	Very low	26	Very low	118 Å²	118	147.1 Å²	147.1	83%	0.825	76%	0.764	S	S	*	*			trans	-68.6	101.4	166.7	55.3	0	0	0	0	107	R528	S526-R528 PolarHBondContact O-N 3.14Å
527	N	30.9	Very low	26.4	Very low	133 Å²	133	150 Å²	150	71%	0.711	76%	0.76	S	S	*	*			trans	-71.4	85.8	170.8	-66.8	-9.2	0	0	0	106.8	T525 I529	T525-N527 PolarHBondContact O-N 3.25Å; T525-N527 PolarHBondContact OG1-OD1 3.36Å; N527-I529 PolarHBondContact O-N 2.86Å
528	R	24.8	Very low	26.3	Very low	191 Å²	191	153.1 Å²	153.1	72%	0.721	76%	0.764	S	S	*	*			trans	-67.9	109.5	173.5	-152.3	-175.8	-167.4	-154.4	7.8	106.1	S526 E530	S526-R528 PolarHBondContact O-N 3.14Å; R528-E530 IonicContact CZ-OE1 3.32Å; R528-E530 IonicContact NH1-OE1 3.35Å; R528-E530 PolarHBondContact NH1-OE1 3.27Å; R528-E530 PolarHBondContact O-N 3.03Å
529	I	30.2	Very low	26.6	Very low	119 Å²	119	152.1 Å²	152.1	61%	0.61	76%	0.755	S	S	*	*			trans	-89.3	98.6	168.7	-61.2	174.5	0	0	0	105	N527 L531	N527-I529 PolarHBondContact O-N 2.86Å; I529-L531 PolarHBondContact O-N 3.47Å
530	E	27.7	Very low	26.7	Very low	136 Å²	136	152.5 Å²	152.5	64%	0.636	75%	0.749	S	S	*	*			trans	-72.3	113	165.5	-79.7	173.9	-175.5	0	0	107.3	R528 N532	R528-E530 IonicContact CZ-OE1 3.32Å; R528-E530 IonicContact NH1-OE1 3.35Å; R528-E530 PolarHBondContact NH1-OE1 3.27Å; R528-E530 PolarHBondContact O-N 3.03Å; E530-N532 PolarHBondContact O-N 3.44Å
531	L	27.1	Very low	27.1	Very low	139 Å²	139	144 Å²	144	73%	0.728	74%	0.738	S	S	*	*			trans	-75.5	110.9	169.9	-70.6	166.1	0	0	0	106.4	I529	I529-L531 PolarHBondContact O-N 3.47Å
532	N	27.2	Very low	27.3	Very low	129 Å²	129	142.8 Å²	142.8	69%	0.69	74%	0.737	S	S	*	*			trans	-52.4	136	172.5	-77.4	-16.4	0	0	0	109.4	E530 L534	E530-N532 PolarHBondContact O-N 3.44Å; N532-L534 PolarHBondContact O-N 3.26Å
533	P	26.5	Very low	27.5	Very low	115 Å²	115	144 Å²	144	75%	0.747	74%	0.737	S	S	*	*			trans	-55.8	126.3	-174.7	19.5	-30.9	0	0	0	110.7	K535	P533-K535 PolarHBondContact O-N 2.85Å
534	L	23.8	Very low	27.7	Very low	151 Å²	151	144.6 Å²	144.6	79%	0.791	73%	0.73	S	S	*	*			trans	-65.3	99.7	177	-77.7	155.8	0	0	0	108.7	N532 M536	N532-L534 PolarHBondContact O-N 3.26Å; L534-M536 PolarHBondContact O-N 2.95Å
535	K	24.3	Very low	28.1	Very low	161 Å²	161	139 Å²	139	70%	0.7	73%	0.725	S	S	*	*			trans	-67.8	101.8	169.5	-75.6	-172.2	179.7	178.8	0	109.2	P533 Y537	P533-K535 PolarHBondContact O-N 2.85Å; K535-Y537 HydrophobicContact CB-CD2 4.42Å; K535-Y537 HydrophobicContact CB-CE2 3.74Å; K535-Y537 HydrophobicContact CD-CE2 4.5Å; K535-Y537 VanDerWaalsContact CD-OH 3.28Å; K535-Y537 WeakPolarHBondContact CD-OH 3Å
536	M	22.6	Very low	28.3	Very low	179 Å²	179	142.8 Å²	142.8	88%	0.882	74%	0.736	S	S	*	*			trans	-78.3	119.1	169	-69.6	-169.3	175.3	0	0	109.3	L534	L534-M536 PolarHBondContact O-N 2.95Å
537	Y	27.3	Very low	28.5	Very low	173 Å²	173	146.5 Å²	146.5	68%	0.678	73%	0.733	S	S	*	*			trans	-102.3	129.2	172.5	-63.8	-82.1	0	0	0	109.6	K535 V539	K535-Y537 HydrophobicContact CB-CD2 4.42Å; K535-Y537 HydrophobicContact CB-CE2 3.74Å; K535-Y537 HydrophobicContact CD-CE2 4.5Å; K535-Y537 VanDerWaalsContact CD-OH 3.28Å; K535-Y537 WeakPolarHBondContact CD-OH 3Å; Y537-V539 PolarHBondContact O-N 3.45Å
538	K	23.9	Very low	28.7	Very low	188 Å²	188	144.5 Å²	144.5	82%	0.817	73%	0.728	S	S	*	*			trans	-72.7	111.7	168.6	-174.3	-178.5	175.9	-173.9	0	108.1
539	V	29.3	Very low	29.1	Very low	104 Å²	104	143.3 Å²	143.3	63%	0.63	73%	0.727	S	S	*	*			trans	-91.4	103.2	178.8	-176.5	0	0	0	0	108.4	Y537 G541	Y537-V539 PolarHBondContact O-N 3.45Å; V539-G541 PolarHBondContact O-N 2.8Å
540	D	27.1	Very low	29.4	Very low	109 Å²	109	144 Å²	144	58%	0.583	73%	0.733	S	S	*	*			trans	-72.4	123.5	167.2	-71.7	-23.1	0	0	0	108.3	T542 R543	D540-T542 PolarHBondContact O-N 3.42Å; D540-R543 PolarHBondContact O-N 3.25Å
541	G	30.3	Very low	29.8	Very low	68 Å²	68	146.4 Å²	146.4	70%	0.701	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	19.6	-163.5	0	0	0	0	0	117.9	V539	V539-G541 PolarHBondContact O-N 2.8Å
542	T	31.8	Very low	30.3	Very low	133 Å²	133	145.5 Å²	145.5	82%	0.816	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-2.5	-179.4	53.7	0	0	0	0	114.4	D540	D540-T542 PolarHBondContact O-N 3.42Å
543	R	28.2	Very low	30.5	Very low	220 Å²	220	141.5 Å²	141.5	83%	0.83	72%	0.722	S	S	*	*			trans	-129.1	85.9	174.7	-76.8	-175	166.9	-176.3	-3.3	111.8	D540	D540-R543 PolarHBondContact O-N 3.25Å
544	L	35.1	Very low	30.7	Very low	136 Å²	136	140.9 Å²	140.9	71%	0.712	72%	0.718	S	S	*	*			trans	-97.5	18.2	-176.8	-90.8	162.6	0	0	0	114.9
545	S	36.4	Very low	30.9	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	72%	0.72	S	S	*	*			trans	-109.8	0.1	-171.8	60.4	0	0	0	0	117
546	E	31.7	Very low	30.9	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.864	72%	0.72	S	S	*	*			trans	-116.9	82.3	175.2	-83.6	-180	154.3	0	0	110.9
547	Y	33.5	Very low	31.1	Very low	196 Å²	196	134.8 Å²	134.8	77%	0.769	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.5	131.1	154.6	-83.3	-89.7	0	0	0	107.9	K549	Y547-K549 PolarHBondContact O-N 2.85Å
548	P	35.1	Very low	31	Very low	91 Å²	91	134.3 Å²	134.3	59%	0.591	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-58.6	138.7	171.3	20.8	-27.7	0	0	0	109.5	D552	P548-D552 HydrophobicContact CB-CB 4.11Å
549	K	31.8	Very low	31	Very low	165 Å²	165	134.3 Å²	134.3	72%	0.717	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.2	152.6	-176.5	-69.8	176.7	-179.9	172.8	0	109.6	Y547 Q551 D552	Y547-K549 PolarHBondContact O-N 2.85Å; K549-Q551 PolarHBondContact O-N 3.32Å; K549-D552 PolarHBondContact O-N 3.3Å
550	D	36.7	Very low	30.8	Very low	135 Å²	135	133.8 Å²	133.8	72%	0.722	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	-17.4	-176.7	-74.2	-33.8	0	0	0	116	S553	D550-S553 WeakPolarHBondContact O-CB 3.48Å; D550-S553 PolarHBondContact O-OG 2.93Å
551	Q	37	Very low	30.6	Very low	186 Å²	186	137.6 Å²	137.6	87%	0.869	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-22.7	176.7	-61.4	176.4	18	0	0	113.2	K549	K549-Q551 PolarHBondContact O-N 3.32Å
552	D	36.5	Very low	30.2	Very low	119 Å²	119	143.4 Å²	143.4	64%	0.636	74%	0.739	S	S	*	*	S	Bend	trans	-96.3	2.4	179.6	-59	-42.4	0	0	0	112.3	P548 K549 P554	P548-D552 HydrophobicContact CB-CB 4.11Å; K549-D552 PolarHBondContact O-N 3.3Å; D552-P554 WeakPolarHBondContact O-CD 2.69Å
553	S	31.2	Very low	29.7	Very low	46 Å²	46	142.2 Å²	142.2	32%	0.322	73%	0.732	S	S	.	*			trans	-74.7	116	176.9	-60.4	0	0	0	0	110.2	D550 L555	D550-S553 WeakPolarHBondContact O-CB 3.48Å; D550-S553 PolarHBondContact O-OG 2.93Å; S553-L555 PolarHBondContact O-N 3.39Å
554	P	31.7	Very low	29.4	Very low	102 Å²	102	140.4 Å²	140.4	66%	0.662	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	6.4	-174.7	26.8	-33.2	0	0	0	114.7	D552	D552-P554 WeakPolarHBondContact O-CD 2.69Å
555	L	26.5	Very low	28.9	Very low	160 Å²	160	142.7 Å²	142.7	84%	0.838	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-7.2	-175.1	-83	146.8	0	0	0	114.8	S553 G557	S553-L555 PolarHBondContact O-N 3.39Å; L555-G557 PolarHBondContact O-N 2.87Å
556	I	26.3	Very low	28.1	Very low	135 Å²	135	142.1 Å²	142.1	69%	0.692	74%	0.739	S	S	*	*			trans	-104.7	53.1	-179.1	-46.3	177.8	0	0	0	110.9
557	G	25.9	Very low	27.6	Very low	68 Å²	68	141.8 Å²	141.8	70%	0.701	74%	0.737	S	S	*	*			trans	-100.9	-16.9	171	0	0	0	0	0	114.8	L555 K559	L555-G557 PolarHBondContact O-N 2.87Å; G557-K559 PolarHBondContact O-N 3.26Å
558	I	25.4	Very low	26.9	Very low	162 Å²	162	142 Å²	142	83%	0.831	74%	0.742	S	S	*	*			trans	-105	67	-171.6	-46.9	176.5	0	0	0	110.2
559	K	24.1	Very low	26.3	Very low	188 Å²	188	143.7 Å²	143.7	82%	0.817	75%	0.753	S	S	*	*			trans	-87.7	108.6	161.1	-109.7	-178.7	-179.9	176	0	108.6	G557 H561	G557-K559 PolarHBondContact O-N 3.26Å; K559-H561 PolarHBondContact O-N 3.47Å
560	S	24.4	Very low	25.7	Very low	94 Å²	94	141.4 Å²	141.4	66%	0.657	75%	0.753	S	S	*	*			trans	-15.5	110.8	170.2	59.9	0	0	0	0	116.7	K562	S560-K562 VanDerWaalsContact C-N 3.28Å; S560-K562 PolarHBondContact O-N 3.44Å; S560-K562 VanDerWaalsContact O-N 3.07Å
561	H	24.1	Very low	24.9	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.875	76%	0.763	S	S	*	*			trans	-73.7	87.4	150.9	-95.2	-74.4	0	0	0	108.7	K559	K559-H561 PolarHBondContact O-N 3.47Å
562	K	20.4	Very low	24.1	Very low	189 Å²	189	138.1 Å²	138.1	82%	0.822	76%	0.759	S	S	*	*			trans	-88.2	100.1	157.7	-91.8	-175.7	175	179	0	107.4	S560	S560-K562 VanDerWaalsContact C-N 3.28Å; S560-K562 PolarHBondContact O-N 3.44Å; S560-K562 VanDerWaalsContact O-N 3.07Å
563	T	22.7	Very low	23.3	Very low	108 Å²	108	140 Å²	140	66%	0.663	77%	0.767	S	S	*	*			trans	-161.5	113.9	155.3	20	0	0	0	0	111.8
564	F	21.7	Very low	22.9	Very low	183 Å²	183	146.9 Å²	146.9	80%	0.803	79%	0.794	S	S	*	*			trans	46.9	102.8	148.8	-69.9	-88.9	0	0	0	120.3
565	L	23.2	Very low	22.4	Very low	183 Å²	183	152.2 Å²	152.2	96%	0.958	80%	0.801	S	S	*	*			trans	-132.6	86.3	131.8	-82.3	173.7	0	0	0	108.4
566	S	20	Very low	22.4	Very low	100 Å²	100	151.6 Å²	151.6	70%	0.699	80%	0.798	S	S	*	*			trans	-81.9	109.1	155.9	163.5	0	0	0	0	106.3
567	E	22.1	Very low	22.2	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	80%	0.797	S	S	*	*			trans	-166.7	113.1	148.9	-110.2	165.2	-154.8	0	0	109.9
568	K	18.5	Very low	22.1	Very low	200 Å²	200	151.3 Å²	151.3	87%	0.87	80%	0.797	S	S	*	*			trans	-69	139.2	160.5	-73	172.3	174	175.1	0	108.1
569	P	22.5	Very low	22	Very low	126 Å²	126	150.8 Å²	150.8	82%	0.818	80%	0.796	S	S	*	*			trans	-122	122.9	142.9	18.8	-0.1	0	0	0	110.7
570	T	19.4	Very low	21.8	Very low	118 Å²	118	147.1 Å²	147.1	72%	0.724	79%	0.794	S	S	*	*			trans	-73	145	169.2	36.5	0	0	0	0	112.6
571	L	19.1	Very low	21.8	Very low	176 Å²	176	149.1 Å²	149.1	92%	0.921	80%	0.796	S	S	*	*			trans	57.6	136.4	145.9	-101.2	88	0	0	0	121.2
572	G	21.1	Very low	21.5	Very low	76 Å²	76	149.2 Å²	149.2	78%	0.784	80%	0.797	S	S	*	*			trans	165.3	74.1	157.5	0	0	0	0	0	114.2
573	I	19	Very low	21.5	Very low	157 Å²	157	149.5 Å²	149.5	81%	0.805	79%	0.794	S	S	*	*			trans	-75	120.2	172.4	-65	163.5	0	0	0	108.3
574	H	23.6	Very low	21.4	Very low	192 Å²	192	149.8 Å²	149.8	89%	0.889	80%	0.801	S	S	*	*			trans	-140.3	136	160.1	-110	-82.8	0	0	0	113
575	R	20.2	Very low	21.4	Very low	214 Å²	214	147.9 Å²	147.9	81%	0.808	80%	0.797	S	S	*	*			trans	-78.7	149.2	-174.2	-63.3	167.4	166.8	166.5	-5.8	111.6
576	N	25.7	Very low	21.3	Very low	146 Å²	146	146 Å²	146	78%	0.781	79%	0.788	S	S	*	*			trans	147.2	115.1	135.8	-75.9	-6	0	0	0	111.4
577	S	24.1	Very low	21.5	Very low	98 Å²	98	148.5 Å²	148.5	69%	0.685	79%	0.793	S	S	*	*				74.1	98.2	111.1	75.7	0	0	0	0	113.1
578	S	22.6	Very low	21.5	Very low	99 Å²	99	144.9 Å²	144.9	69%	0.692	79%	0.787	S	S	*	*				98.7	132.6	85.2	61.9	0	0	0	0	111.8
579	N	23.1	Very low	21.8	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	78%	0.777	S	S	*	*			trans	100.1	114.8	163.3	-60.3	-7.3	0	0	0	118.3
580	S	21	Very low	21.9	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	77%	0.774	S	S	*	*			trans	-35	130.8	163.1	50.2	0	0	0	0	115.8
581	I	23.1	Very low	22.1	Very low	136 Å²	136	143.5 Å²	143.5	70%	0.697	78%	0.781	S	S	*	*			trans	-138.1	124.5	147.4	-58.6	-179	0	0	0	108.6	Y583	I581-Y583 HydrophobicContact CG2-CE2 4.26Å
582	Q	18.3	Very low	22.3	Very low	190 Å²	190	141.8 Å²	141.8	89%	0.888	77%	0.773	S	S	*	*			trans	-82.2	123.3	-179.9	-167.5	175.2	-3.9	0	0	108.4
583	Y	21.4	Very low	22.4	Very low	196 Å²	196	148 Å²	148	77%	0.769	78%	0.779	S	S	*	*			trans	-105.9	113.3	170.5	-72.7	-81.9	0	0	0	109.4	I581	I581-Y583 HydrophobicContact CG2-CE2 4.26Å
584	S	20.2	Very low	22.6	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	77%	0.768	S	S	*	*			trans	-69.3	122.8	165.3	41.4	0	0	0	0	109.2
585	I	21.8	Very low	22.8	Very low	143 Å²	143	143 Å²	143	73%	0.733	76%	0.758	S	S	*	*			trans	-99.5	101.3	166.8	-62.9	174.4	0	0	0	106.3	L587	I585-L587 HydrophobicContact CG2-CD1 4.1Å; I585-L587 PolarHBondContact O-N 3.48Å
586	N	21.2	Very low	23.1	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	75%	0.748	S	S	*	*			trans	-62.4	111	168.4	-111.2	-13	0	0	0	108.4
587	L	22.9	Very low	23.6	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	73%	0.734	S	S	*	*			trans	-98.9	35	179.3	-141.5	91.7	0	0	0	112.2	I585	I585-L587 HydrophobicContact CG2-CD1 4.1Å; I585-L587 PolarHBondContact O-N 3.48Å
588	S	23.1	Very low	24.2	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	72%	0.718	S	S	*	*			trans	-100	13	177.7	52.1	0	0	0	0	114.2
589	A	25	Very low	25.1	Very low	79 Å²	79	131.9 Å²	131.9	65%	0.653	70%	0.702	S	S	*	*			trans	-130.4	63.8	178.7	0	0	0	0	0	111.9
590	F	24.7	Very low	25.7	Very low	172 Å²	172	128.6 Å²	128.6	75%	0.754	69%	0.689	S	S	*	*			trans	-138.9	67.1	156.1	-91.4	-78.4	0	0	0	108.1	V594	F590-V594 HydrophobicContact CD1-CG2 4.1Å; F590-V594 HydrophobicContact CE1-CG2 4.36Å
591	N	23.1	Very low	26.7	Very low	163 Å²	163	126 Å²	126	87%	0.872	67%	0.668	S	S	*	*			trans	-110	45.1	170	-118.6	12.4	0	0	0	109.4
592	D	23.9	Very low	27.4	Very low	141 Å²	141	125.5 Å²	125.5	75%	0.754	67%	0.666	S	S	*	*	S	Bend	trans	-130.2	131.6	166.3	-84.7	-38.3	0	0	0	107.7	V594	D592-V594 VanDerWaalsContact C-N 3.34Å; D592-V594 PolarHBondContact O-N 3.48Å
593	K	22.1	Very low	28.1	Very low	207 Å²	207	121.5 Å²	121.5	90%	0.9	65%	0.65	S	S	*	*			trans	-49.9	95.9	176.3	-71	173.1	176.5	176.1	0	109.1	Q595	K593-Q595 VanDerWaalsContact C-N 3.3Å; K593-Q595 PolarHBondContact O-N 2.86Å
594	V	23.2	Very low	28.8	Very low	96 Å²	96	119.5 Å²	119.5	58%	0.582	65%	0.653	S	S	*	*			trans	-69.7	96.7	169.7	-178.2	0	0	0	0	105.7	F590 D592 I596	F590-V594 HydrophobicContact CD1-CG2 4.1Å; F590-V594 HydrophobicContact CE1-CG2 4.36Å; D592-V594 VanDerWaalsContact C-N 3.34Å; D592-V594 PolarHBondContact O-N 3.48Å; V594-I596 VanDerWaalsContact C-N 3.29Å; V594-I596 HydrophobicContact CG1-CG1 4.04Å; V594-I596 PolarHBondContact O-N 3.22Å
595	Q	27.2	Very low	29.7	Very low	146 Å²	146	121.6 Å²	121.6	68%	0.682	66%	0.655	S	S	*	*			trans	-62.1	99.9	162	-76.9	-178.8	-8.4	0	0	106.2	K593 L597	K593-Q595 VanDerWaalsContact C-N 3.3Å; K593-Q595 PolarHBondContact O-N 2.86Å; Q595-L597 PolarHBondContact O-N 2.99Å
596	I	28.1	Very low	30.5	Very low	117 Å²	117	120.7 Å²	120.7	60%	0.6	65%	0.647	S	S	*	*			trans	-71.6	83.4	175.4	-58.6	174.4	0	0	0	106.5	V594 T598 V599	V594-I596 VanDerWaalsContact C-N 3.29Å; V594-I596 HydrophobicContact CG1-CG1 4.04Å; V594-I596 PolarHBondContact O-N 3.22Å; I596-T598 WeakPolarHBondContact CG2-O 3.25Å; I596-T598 PolarHBondContact O-N 3.39Å; I596-V599 HydrophobicContact CG2-CG2 4.23Å
597	L	35.1	Very low	31.4	Very low	92 Å²	92	119.6 Å²	119.6	48%	0.482	64%	0.641	S	S	.	*			trans	-72.6	-16.5	173.5	-89.8	144.7	0	0	0	111.6	Q595 A611 I612	Q595-L597 PolarHBondContact O-N 2.99Å; L597-A611 CarbonylContact O-C 3.31Å; L597-A611 VanDerWaalsContact O-CA 3.23Å; L597-A611 WeakPolarHBondContact O-CA 3.46Å; L597-I612 PolarHBondContact O-N 3.15Å
598	T	37	Very low	32.3	Very low	57 Å²	57	116 Å²	116	35%	0.35	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.2	130.9	179.4	61.8	0	0	0	0	112.3	I596 V610 A611	I596-T598 WeakPolarHBondContact CG2-O 3.25Å; I596-T598 PolarHBondContact O-N 3.39Å; T598-V610 CarbonylContact C-O 3.59Å; T598-V610 WeakPolarHBondContact CA-O 3.24Å; T598-A611 HydrophobicContact CG2-CB 4.09Å
599	V	41.1	Very low	32.9	Very low	58 Å²	58	118.2 Å²	118.2	35%	0.352	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.8	126.7	175	174.7	0	0	0	0	109.8	I596 V601 V610 I612	I596-V599 HydrophobicContact CG2-CG2 4.23Å; V599-V601 HydrophobicContact CG1-CG2 4.3Å; V599-V601 PolarHBondContact O-N 3.41Å; V599-V610 PolarHBondContact N-O 3.09Å; V599-V610 PolarHBondContact O-N 3.41Å; V599-I612 HydrophobicContact CG2-CD1 3.53Å; V599-I612 HydrophobicContact CG2-CG1 4.33Å
600	P	36.7	Very low	33.7	Very low	83 Å²	83	117.2 Å²	117.2	54%	0.539	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.3	123.7	171.7	26.5	-30.4	0	0	0	110.8	L607 F608	P600-L607 HydrophobicContact CB-CD1 3.79Å; P600-F608 CarbonylContact C-O 3.48Å; P600-F608 WeakPolarHBondContact CA-O 3.23Å
601	V	42.6	Very low	34.4	Very low	57 Å²	57	111.3 Å²	111.3	35%	0.345	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	131.1	174.3	-179.5	0	0	0	0	108.9	V599 L603 F608 V610	V599-V601 HydrophobicContact CG1-CG2 4.3Å; V599-V601 PolarHBondContact O-N 3.41Å; V601-L603 HydrophobicContact CG1-CD1 4.29Å; V601-L603 HydrophobicContact CG1-CG 4.33Å; V601-F608 PolarHBondContact N-O 3.01Å; V601-F608 WeakPolarHBondContact O-CB 3.36Å; V601-F608 PolarHBondContact O-N 3.4Å; V601-V610 HydrophobicContact CB-CG2 4.26Å; V601-V610 HydrophobicContact CG2-CG2 3.84Å
602	I	36.3	Very low	34.9	Very low	125 Å²	125	107.3 Å²	107.3	64%	0.641	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98	117	176.2	-60.2	172.6	0	0	0	108.8	H606 L607	I602-H606 VanDerWaalsContact CA-O 3.3Å; I602-H606 WeakPolarHBondContact CA-O 3.49Å; I602-L607 HydrophobicContact CD1-CD1 4.34Å; I602-L607 HydrophobicContact CG1-CD1 3.74Å
603	L	34	Very low	35.2	Very low	107 Å²	107	107.7 Å²	107.7	56%	0.56	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.2	123.7	173	-85.8	157.9	0	0	0	109.2	V601 N605 H606 F608	V601-L603 HydrophobicContact CG1-CD1 4.29Å; V601-L603 HydrophobicContact CG1-CG 4.33Å; L603-N605 VanDerWaalsContact C-N 3.29Å; L603-N605 PolarHBondContact O-N 3.01Å; L603-H606 PolarHBondContact N-O 3.27Å; L603-H606 PolarHBondContact O-N 3.37Å; L603-F608 HydrophobicContact CB-CD2 4.01Å; L603-F608 HydrophobicContact CB-CE2 3.68Å
604	N	34.7	Very low	35.7	Very low	154 Å²	154	105.5 Å²	105.5	82%	0.824	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	42.7	51.8	179.9	-67.3	-12.7	0	0	0	113.7	H606	N604-H606 VanDerWaalsContact C-N 3.31Å; N604-H606 PolarHBondContact O-N 3.01Å
605	N	40.3	Very low	35.8	Very low	158 Å²	158	110.2 Å²	110.2	85%	0.845	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.1	12.8	179.4	-62.5	-7.7	0	0	0	116.9	L603	L603-N605 VanDerWaalsContact C-N 3.29Å; L603-N605 PolarHBondContact O-N 3.01Å
606	H	38.3	Very low	35.7	Very low	124 Å²	124	109.9 Å²	109.9	57%	0.574	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.8	134.1	170.6	-65.2	-65.5	0	0	0	111.1	I602 L603 N604 F608	I602-H606 VanDerWaalsContact CA-O 3.3Å; I602-H606 WeakPolarHBondContact CA-O 3.49Å; L603-H606 PolarHBondContact N-O 3.27Å; L603-H606 PolarHBondContact O-N 3.37Å; N604-H606 VanDerWaalsContact C-N 3.31Å; N604-H606 PolarHBondContact O-N 3.01Å; H606-F608 HydrophobicContact CB-CD2 4.36Å; H606-F608 HydrophobicContact CB-CE2 3.52Å; H606-F608 HydrophobicContact CB-CZ 3.65Å; H606-F608 WeakPolarHBondContact O-CD2 3.49Å; H606-F608 VanDerWaalsContact O-CE2 3.3Å; H606-F608 WeakPolarHBondContact O-CE2 3.42Å
607	L	39.4	Very low	35.7	Very low	120 Å²	120	109 Å²	109	63%	0.628	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.2	117.7	174.3	-175.3	75.5	0	0	0	108.9	P600 I602	P600-L607 HydrophobicContact CB-CD1 3.79Å; I602-L607 HydrophobicContact CD1-CD1 4.34Å; I602-L607 HydrophobicContact CG1-CD1 3.74Å
608	F	43.1	Very low	35.4	Very low	78 Å²	78	116 Å²	116	34%	0.342	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	139.8	176.2	-61.1	-86.4	0	0	0	109.3	P600 V601 L603 H606	P600-F608 CarbonylContact C-O 3.48Å; P600-F608 WeakPolarHBondContact CA-O 3.23Å; V601-F608 PolarHBondContact N-O 3.01Å; V601-F608 WeakPolarHBondContact O-CB 3.36Å; V601-F608 PolarHBondContact O-N 3.4Å; L603-F608 HydrophobicContact CB-CD2 4.01Å; L603-F608 HydrophobicContact CB-CE2 3.68Å; H606-F608 HydrophobicContact CB-CD2 4.36Å; H606-F608 HydrophobicContact CB-CE2 3.52Å; H606-F608 HydrophobicContact CB-CZ 3.65Å; H606-F608 WeakPolarHBondContact O-CD2 3.49Å; H606-F608 VanDerWaalsContact O-CE2 3.3Å; H606-F608 WeakPolarHBondContact O-CE2 3.42Å
609	Q	35.8	Very low	35.3	Very low	149 Å²	149	118.9 Å²	118.9	70%	0.696	63%	0.63	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.4	108.2	169.2	-74	179.9	-19.1	0	0	108
610	V	40.3	Very low	35	Very low	57 Å²	57	122.1 Å²	122.1	35%	0.345	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.2	115.3	-179.2	-178.5	0	0	0	0	108.3	T598 V599 V601	T598-V610 CarbonylContact C-O 3.59Å; T598-V610 WeakPolarHBondContact CA-O 3.24Å; V599-V610 PolarHBondContact N-O 3.09Å; V599-V610 PolarHBondContact O-N 3.41Å; V601-V610 HydrophobicContact CB-CG2 4.26Å; V601-V610 HydrophobicContact CG2-CG2 3.84Å
611	A	39.5	Very low	34.9	Very low	48 Å²	48	124.3 Å²	124.3	40%	0.397	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.7	132.4	173.8	0	0	0	0	0	110.9	L597 T598	L597-A611 CarbonylContact O-C 3.31Å; L597-A611 VanDerWaalsContact O-CA 3.23Å; L597-A611 WeakPolarHBondContact O-CA 3.46Å; T598-A611 HydrophobicContact CG2-CB 4.09Å
612	I	33.9	Very low	34.5	Very low	79 Å²	79	128.2 Å²	128.2	41%	0.405	67%	0.669	S	S	.	*			trans	-99.6	93.4	173.5	-54.9	177.5	0	0	0	107	L597 V599 Y614	L597-I612 PolarHBondContact O-N 3.15Å; V599-I612 HydrophobicContact CG2-CD1 3.53Å; V599-I612 HydrophobicContact CG2-CG1 4.33Å; I612-Y614 HydrophobicContact CG2-CD1 4.28Å
613	D	30.8	Very low	34.4	Very low	150 Å²	150	128.4 Å²	128.4	80%	0.802	67%	0.67	S	S	*	*			trans	-82.8	115.7	163.4	-75.5	-29	0	0	0	107.9
614	Y	31.6	Very low	34.4	Very low	160 Å²	160	129.9 Å²	129.9	63%	0.627	68%	0.678	S	S	*	*			trans	-112.2	120.9	167.7	57.7	-85.7	0	0	0	108.4	I612 I616	I612-Y614 HydrophobicContact CG2-CD1 4.28Å; Y614-I616 HydrophobicContact CD2-CD1 4.47Å; Y614-I616 HydrophobicContact CD2-CG1 4.1Å; Y614-I616 HydrophobicContact CE2-CD1 4.31Å; Y614-I616 HydrophobicContact CE2-CG1 4.44Å
615	E	25.5	Very low	34.4	Very low	196 Å²	196	128.1 Å²	128.1	92%	0.916	67%	0.667	S	S	*	*			trans	-95.3	118.2	170.2	-136.3	174.2	-169.7	0	0	107.3	A617	E615-A617 PolarHBondContact O-N 3.11Å
616	I	24.7	Very low	33.9	Very low	139 Å²	139	125.8 Å²	125.8	71%	0.713	65%	0.654	S	S	*	*			trans	-81.3	99.3	173.3	-57.6	172.6	0	0	0	106.2	Y614 L618	Y614-I616 HydrophobicContact CD2-CD1 4.47Å; Y614-I616 HydrophobicContact CD2-CG1 4.1Å; Y614-I616 HydrophobicContact CE2-CD1 4.31Å; Y614-I616 HydrophobicContact CE2-CG1 4.44Å; I616-L618 PolarHBondContact O-N 3.1Å
617	A	28.5	Very low	33.6	Very low	97 Å²	97	126 Å²	126	80%	0.802	66%	0.66	S	S	*	*			trans	-75.1	115.8	167.2	0	0	0	0	0	108.6	E615	E615-A617 PolarHBondContact O-N 3.11Å
618	L	29.9	Very low	33	Very low	239 Å²	239	126.5 Å²	126.5	100%	1.251	66%	0.663	S	S	*	*			trans	-72.7	0	167.6	-91.1	158.1	0	0	0	111	I616	I616-L618 PolarHBondContact O-N 3.1Å

Retrieved 618 of 618 residues in 140.3 ms (Link to these results)

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