A0A087YGS3_POEFO Loading...

phosphoinositide 5-phosphatase

AlphaFold DB , UniProt , Accession A0A087YGS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 666 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	42.6	Very low	46.1	Very low	160 Å²	160	129.5 Å²	129.5	79%	0.788	65%	0.648	S	S	*	*				0	-57.6	0	-155.8	-174.1	-60.9	0	0	110.9	E3 L4 M5	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.65Å; M1-L4 PolarHBondContact O-N 2.84Å; M1-M5 PolarHBondContact O-N 3.27Å
2	L	36.1	Very low	46.7	Very low	141 Å²	141	132.8 Å²	132.8	74%	0.738	66%	0.66	S	S	*	*	H	α-helix	trans	-51	-44.7	175.1	-99.1	75	0	0	0	113.6	L4 M5	L2-L4 VanDerWaalsContact C-N 3.27Å; L2-L4 PolarHBondContact O-N 3.23Å; L2-M5 WeakPolarHBondContact O-CB 3.2Å; L2-M5 PolarHBondContact O-N 3.11Å
3	E	35.8	Very low	47	Very low	165 Å²	165	138.8 Å²	138.8	77%	0.771	67%	0.67	S	S	*	*	H	α-helix	trans	-62.4	-30.4	177.1	-69.5	178	137.8	0	0	113.7	M1 M5 L6	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.65Å; E3-M5 VanDerWaalsContact C-N 3.3Å; E3-M5 PolarHBondContact O-N 2.88Å; E3-L6 PolarHBondContact O-N 3.31Å
4	L	41.7	Very low	47.8	Very low	121 Å²	121	129.3 Å²	129.3	63%	0.634	63%	0.625	S	S	*	*	H	α-helix	trans	-77.8	-16	176.6	-122.6	95.3	0	0	0	113.1	M1 L2	M1-L4 PolarHBondContact O-N 2.84Å; L2-L4 VanDerWaalsContact C-N 3.27Å; L2-L4 PolarHBondContact O-N 3.23Å
5	M	42.7	Very low	48.5	Very low	101 Å²	101	126.7 Å²	126.7	50%	0.498	61%	0.612	S	S	.	*	H	α-helix	trans	-83.7	-15.1	175.7	-67.2	179.6	64.3	0	0	112.6	M1 L2 E3 L18	M1-M5 PolarHBondContact O-N 3.27Å; L2-M5 WeakPolarHBondContact O-CB 3.2Å; L2-M5 PolarHBondContact O-N 3.11Å; E3-M5 VanDerWaalsContact C-N 3.3Å; E3-M5 PolarHBondContact O-N 2.88Å; M5-L18 HydrophobicContact CE-CD2 4.15Å
6	L	43.1	Very low	49.3	Very low	148 Å²	148	123.3 Å²	123.3	78%	0.775	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-13.2	-177.2	-72.8	165.8	0	0	0	113.9	E3	E3-L6 PolarHBondContact O-N 3.31Å
7	E	44.8	Very low	49.9	Very low	147 Å²	147	118.5 Å²	118.5	69%	0.687	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	3.7	176.7	-67.8	-166.3	148.5	0	0	114.2	Q9 K332	E7-Q9 PolarHBondContact O-N 3Å; E7-K332 IonicContact OE2-NZ 2.8Å
8	L	49	Very low	50.6	Low	60 Å²	60	113.8 Å²	113.8	31%	0.314	55%	0.554	S	S	.	*			trans	-78.1	121.7	-174.6	-70.8	175.1	0	0	0	111.3	T14 L18 M330	L8-T14 HydrophobicContact CB-CG2 3.9Å; L8-T14 HydrophobicContact CD1-CG2 4.14Å; L8-T14 HydrophobicContact CD2-CG2 4.22Å; L8-T14 HydrophobicContact CG-CG2 4.31Å; L8-L18 HydrophobicContact CD1-CD2 4.23Å; L8-M330 HydrophobicContact CD2-CE 4.11Å; L8-M330 HydrophobicContact CD2-SD 4.08Å
9	Q	54.1	Low	51.4	Low	166 Å²	166	112.6 Å²	112.6	78%	0.776	55%	0.554	S	S	*	*			trans	-67.9	142.1	170.6	-73.7	-175.6	-31.3	0	0	110.6	E7 D11	E7-Q9 PolarHBondContact O-N 3Å; Q9-D11 VanDerWaalsContact C-N 3.27Å; Q9-D11 PolarHBondContact O-N 3.34Å
10	D	50	Low	52	Low	138 Å²	138	113.4 Å²	113.4	74%	0.738	56%	0.557	S	S	*	*			trans	-79.1	72.1	-175.9	-161	17.1	0	0	0	111.3	Q15	D10-Q15 PolarHBondContact OD1-NE2 2.73Å
11	D	66.9	Low	52.3	Low	77 Å²	77	109.1 Å²	109.1	41%	0.412	54%	0.537	S	S	.	.			trans	-110.6	157.3	174.3	90.2	-3.7	0	0	0	112.9	Q9 R13 T14 Q15	Q9-D11 VanDerWaalsContact C-N 3.27Å; Q9-D11 PolarHBondContact O-N 3.34Å; D11-R13 PolarHBondContact O-N 2.95Å; D11-R13 PolarHBondContact OD1-N 3.01Å; D11-T14 WeakPolarHBondContact O-CB 3.35Å; D11-T14 PolarHBondContact O-N 3.29Å; D11-T14 WeakPolarHBondContact OD1-CB 3.26Å; D11-T14 PolarHBondContact OD1-N 3.3Å; D11-T14 PolarHBondContact OD1-OG1 2.67Å; D11-Q15 PolarHBondContact O-N 3.49Å
12	E	53.1	Low	53.3	Low	169 Å²	169	107.7 Å²	107.7	79%	0.79	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-29	-172.9	-164.3	179	-150.7	0	0	112.7	T16	E12-T16 WeakPolarHBondContact O-CB 3.49Å; E12-T16 PolarHBondContact O-N 3.11Å; E12-T16 PolarHBondContact O-OG1 3.19Å
13	R	51.6	Low	54.7	Low	211 Å²	211	103.5 Å²	103.5	80%	0.796	51%	0.509	S	S	*	.	H	α-helix	trans	-70.5	-40.7	174	-79.1	-177.1	171.5	179.9	-1.7	111.8	D11 T16 F17	D11-R13 PolarHBondContact O-N 2.95Å; D11-R13 PolarHBondContact OD1-N 3.01Å; R13-T16 PolarHBondContact O-N 2.94Å; R13-F17 WeakPolarHBondContact O-CB 3.01Å; R13-F17 PolarHBondContact O-N 2.67Å
14	T	57.6	Low	55.8	Low	6 Å²	6	97 Å²	97	4%	0.037	48%	0.483	C	S	.	.	H	α-helix	trans	-65.9	-43.8	177.2	-61.2	0	0	0	0	110.5	L8 D11 F17 L18 M330	L8-T14 HydrophobicContact CB-CG2 3.9Å; L8-T14 HydrophobicContact CD1-CG2 4.14Å; L8-T14 HydrophobicContact CD2-CG2 4.22Å; L8-T14 HydrophobicContact CG-CG2 4.31Å; D11-T14 WeakPolarHBondContact O-CB 3.35Å; D11-T14 PolarHBondContact O-N 3.29Å; D11-T14 WeakPolarHBondContact OD1-CB 3.26Å; D11-T14 PolarHBondContact OD1-N 3.3Å; D11-T14 PolarHBondContact OD1-OG1 2.67Å; T14-F17 PolarHBondContact O-N 2.89Å; T14-L18 HydrophobicContact CG2-CD1 4.09Å; T14-L18 WeakPolarHBondContact O-CB 3.46Å; T14-L18 VanDerWaalsContact O-CG 3.26Å; T14-L18 WeakPolarHBondContact O-CG 3.42Å; T14-L18 PolarHBondContact O-N 3.15Å; T14-M330 WeakPolarHBondContact OG1-CE 3.33Å
15	Q	58.5	Low	56.6	Low	90 Å²	90	95.3 Å²	95.3	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-41.8	174.4	-67.3	-63.4	-8.8	0	0	112.5	D10 D11 F17 L18 T19	D10-Q15 PolarHBondContact OD1-NE2 2.73Å; D11-Q15 PolarHBondContact O-N 3.49Å; Q15-F17 PolarHBondContact O-N 3.35Å; Q15-L18 PolarHBondContact O-N 2.87Å; Q15-T19 WeakPolarHBondContact O-CB 3.19Å; Q15-T19 PolarHBondContact O-N 3.03Å; Q15-T19 PolarHBondContact O-OG1 3.39Å
16	T	61.1	Low	57.7	Low	72 Å²	72	97 Å²	97	44%	0.442	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-43.7	174.8	-58.6	0	0	0	0	111.5	E12 R13 T19 Q20	E12-T16 WeakPolarHBondContact O-CB 3.49Å; E12-T16 PolarHBondContact O-N 3.11Å; E12-T16 PolarHBondContact O-OG1 3.19Å; R13-T16 PolarHBondContact O-N 2.94Å; T16-T19 PolarHBondContact O-N 3.45Å; T16-Q20 WeakPolarHBondContact O-CG 3.44Å; T16-Q20 PolarHBondContact O-N 2.89Å
17	F	60.4	Low	58.6	Low	42 Å²	42	96.1 Å²	96.1	18%	0.184	47%	0.471	C	S	.	.	H	α-helix	trans	-62.7	-47.4	175.3	176.7	-104.6	0	0	0	111.8	R13 T14 Q15 T19 Q20 V21 F267 F268 M333	R13-F17 WeakPolarHBondContact O-CB 3.01Å; R13-F17 PolarHBondContact O-N 2.67Å; T14-F17 PolarHBondContact O-N 2.89Å; Q15-F17 PolarHBondContact O-N 3.35Å; F17-T19 VanDerWaalsContact C-N 3.28Å; F17-T19 PolarHBondContact O-N 2.9Å; F17-Q20 PolarHBondContact O-N 2.95Å; F17-Q20 VanDerWaalsContact O-N 3.16Å; F17-V21 HydrophobicContact CD1-CG2 4.17Å; F17-V21 HydrophobicContact CD2-CG2 4.36Å; F17-V21 HydrophobicContact CE1-CG2 3.84Å; F17-V21 HydrophobicContact CE2-CG2 4.05Å; F17-V21 HydrophobicContact CG-CG2 4.42Å; F17-V21 HydrophobicContact CZ-CG2 3.78Å; F17-V21 VanDerWaalsContact O-CG2 3.27Å; F17-V21 WeakPolarHBondContact O-CG2 3.39Å; F17-V21 PolarHBondContact O-N 2.93Å; F17-F267 HydrophobicContact CE2-CE1 4.42Å; F17-F268 HydrophobicContact CE2-CE1 4.2Å; F17-F268 HydrophobicContact CE2-CZ 4.26Å; F17-F268 AromaticContact CZ-CE1 3.98Å; F17-F268 HydrophobicContact CZ-CE1 3.98Å; F17-F268 HydrophobicContact CZ-CZ 4.47Å; F17-M333 HydrophobicContact CE1-CE 4.35Å; F17-M333 HydrophobicContact CZ-CE 3.94Å
18	L	62	Low	59.1	Low	34 Å²	34	92.4 Å²	92.4	18%	0.178	46%	0.458	C	S	.	.	H	α-helix	trans	-60.4	-36.2	177.1	-73.1	169.8	0	0	0	112.5	M5 L8 T14 Q15 V21 K22	M5-L18 HydrophobicContact CE-CD2 4.15Å; L8-L18 HydrophobicContact CD1-CD2 4.23Å; T14-L18 HydrophobicContact CG2-CD1 4.09Å; T14-L18 WeakPolarHBondContact O-CB 3.46Å; T14-L18 VanDerWaalsContact O-CG 3.26Å; T14-L18 WeakPolarHBondContact O-CG 3.42Å; T14-L18 PolarHBondContact O-N 3.15Å; Q15-L18 PolarHBondContact O-N 2.87Å; L18-V21 PolarHBondContact O-N 2.85Å; L18-K22 WeakPolarHBondContact O-CG 3.48Å; L18-K22 PolarHBondContact O-N 3.5Å
19	T	65.9	Low	59.6	Low	91 Å²	91	93.8 Å²	93.8	56%	0.558	48%	0.478	S	S	*	.	H	α-helix	trans	-66	-44.2	174.9	-56.9	0	0	0	0	111.5	Q15 T16 F17 K22 S23	Q15-T19 WeakPolarHBondContact O-CB 3.19Å; Q15-T19 PolarHBondContact O-N 3.03Å; Q15-T19 PolarHBondContact O-OG1 3.39Å; T16-T19 PolarHBondContact O-N 3.45Å; F17-T19 VanDerWaalsContact C-N 3.28Å; F17-T19 PolarHBondContact O-N 2.9Å; T19-K22 PolarHBondContact O-N 2.66Å; T19-S23 WeakPolarHBondContact O-CB 3.09Å; T19-S23 PolarHBondContact O-N 3.3Å
20	Q	63.4	Low	59.6	Low	128 Å²	128	90 Å²	90	60%	0.598	47%	0.47	S	S	*	.	H	α-helix	trans	-64.7	-40.5	175.4	-71.1	176.4	-1.4	0	0	112.1	T16 F17 S23 A24	T16-Q20 WeakPolarHBondContact O-CG 3.44Å; T16-Q20 PolarHBondContact O-N 2.89Å; F17-Q20 PolarHBondContact O-N 2.95Å; F17-Q20 VanDerWaalsContact O-N 3.16Å; Q20-S23 PolarHBondContact O-N 2.8Å; Q20-A24 WeakPolarHBondContact O-CB 3.2Å; Q20-A24 PolarHBondContact O-N 2.59Å
21	V	58.6	Low	59.4	Low	25 Å²	25	90.7 Å²	90.7	15%	0.152	47%	0.467	C	S	.	.	H	α-helix	trans	-62.2	-46.2	175.7	173.6	0	0	0	0	111.5	F17 L18 A24 Q25 F268	F17-V21 HydrophobicContact CD1-CG2 4.17Å; F17-V21 HydrophobicContact CD2-CG2 4.36Å; F17-V21 HydrophobicContact CE1-CG2 3.84Å; F17-V21 HydrophobicContact CE2-CG2 4.05Å; F17-V21 HydrophobicContact CG-CG2 4.42Å; F17-V21 HydrophobicContact CZ-CG2 3.78Å; F17-V21 VanDerWaalsContact O-CG2 3.27Å; F17-V21 WeakPolarHBondContact O-CG2 3.39Å; F17-V21 PolarHBondContact O-N 2.93Å; L18-V21 PolarHBondContact O-N 2.85Å; V21-A24 PolarHBondContact O-N 2.85Å; V21-Q25 WeakPolarHBondContact O-CG 3.48Å; V21-Q25 PolarHBondContact O-N 2.95Å; V21-F268 HydrophobicContact CG2-CE1 3.65Å; V21-F268 HydrophobicContact CG2-CZ 3.73Å
22	K	64.1	Low	58.3	Low	130 Å²	130	93.4 Å²	93.4	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-61.3	-46.8	176.9	-76	177.3	177.5	178.7	0	111.9	L18 T19 A24 Q25 E26	L18-K22 WeakPolarHBondContact O-CG 3.48Å; L18-K22 PolarHBondContact O-N 3.5Å; T19-K22 PolarHBondContact O-N 2.66Å; K22-A24 VanDerWaalsContact C-N 3.32Å; K22-A24 PolarHBondContact O-N 2.9Å; K22-Q25 PolarHBondContact O-N 2.93Å; K22-Q25 VanDerWaalsContact O-N 3.16Å; K22-E26 WeakPolarHBondContact O-CG 3.36Å; K22-E26 PolarHBondContact O-N 3.07Å
23	S	64.9	Low	57.9	Low	53 Å²	53	90.9 Å²	90.9	37%	0.371	49%	0.489	S	S	.	.	H	α-helix	trans	-61.6	-39.1	178.5	-169.5	0	0	0	0	112.5	T19 Q20 E26 Q27	T19-S23 WeakPolarHBondContact O-CB 3.09Å; T19-S23 PolarHBondContact O-N 3.3Å; Q20-S23 PolarHBondContact O-N 2.8Å; S23-E26 PolarHBondContact O-N 2.78Å; S23-Q27 WeakPolarHBondContact O-CG 3.36Å; S23-Q27 PolarHBondContact O-N 2.85Å; S23-Q27 VanDerWaalsContact O-N 3.11Å
24	A	58.3	Low	57.2	Low	27 Å²	27	90.1 Å²	90.1	22%	0.223	49%	0.492	C	S	.	.	H	α-helix	trans	-65.6	-40.9	174.5	0	0	0	0	0	112.4	Q20 V21 K22 E26 Q27 V28	Q20-A24 WeakPolarHBondContact O-CB 3.2Å; Q20-A24 PolarHBondContact O-N 2.59Å; V21-A24 PolarHBondContact O-N 2.85Å; K22-A24 VanDerWaalsContact C-N 3.32Å; K22-A24 PolarHBondContact O-N 2.9Å; A24-E26 PolarHBondContact O-N 3.4Å; A24-Q27 PolarHBondContact O-N 2.75Å; A24-V28 WeakPolarHBondContact O-CG2 3.31Å; A24-V28 PolarHBondContact O-N 3.47Å; A24-V28 VanDerWaalsContact O-N 3.11Å
25	Q	58	Low	56.6	Low	87 Å²	87	96.1 Å²	96.1	41%	0.407	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-41.3	176.5	-73.6	175.2	-12.3	0	0	112.1	V21 K22 V28 A29	V21-Q25 WeakPolarHBondContact O-CG 3.48Å; V21-Q25 PolarHBondContact O-N 2.95Å; K22-Q25 PolarHBondContact O-N 2.93Å; K22-Q25 VanDerWaalsContact O-N 3.16Å; Q25-V28 PolarHBondContact O-N 2.78Å; Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 2.99Å
26	E	66.3	Low	55.5	Low	136 Å²	136	101.9 Å²	101.9	64%	0.636	55%	0.554	S	S	*	*	H	α-helix	trans	-65.7	-36.5	176.3	-70.4	168.4	176.8	0	0	112.6	K22 S23 A24 S30	K22-E26 WeakPolarHBondContact O-CG 3.36Å; K22-E26 PolarHBondContact O-N 3.07Å; S23-E26 PolarHBondContact O-N 2.78Å; A24-E26 PolarHBondContact O-N 3.4Å; E26-S30 WeakPolarHBondContact O-CB 3.49Å; E26-S30 PolarHBondContact O-N 3.25Å; E26-S30 PolarHBondContact O-OG 3.25Å
27	Q	62.7	Low	54.3	Low	129 Å²	129	103 Å²	103	60%	0.603	57%	0.571	S	S	*	*	H	α-helix	trans	-71.1	-26.5	175.1	-72.3	179.5	23.7	0	0	113.7	S23 A24 S30	S23-Q27 WeakPolarHBondContact O-CG 3.36Å; S23-Q27 PolarHBondContact O-N 2.85Å; S23-Q27 VanDerWaalsContact O-N 3.11Å; A24-Q27 PolarHBondContact O-N 2.75Å; Q27-S30 PolarHBondContact O-OG 3.16Å
28	V	54.9	Low	53.3	Low	69 Å²	69	110.1 Å²	110.1	42%	0.418	61%	0.607	S	S	.	*	H	α-helix	trans	-81.5	-42.2	174.5	174.2	0	0	0	0	110.9	A24 Q25 S30 K31	A24-V28 WeakPolarHBondContact O-CG2 3.31Å; A24-V28 PolarHBondContact O-N 3.47Å; A24-V28 VanDerWaalsContact O-N 3.11Å; Q25-V28 PolarHBondContact O-N 2.78Å; V28-S30 PolarHBondContact O-N 3.45Å; V28-K31 PolarHBondContact O-N 3.24Å
29	A	59.8	Low	52.2	Low	89 Å²	89	117.1 Å²	117.1	74%	0.736	64%	0.639	S	S	*	*	H	α-helix	trans	-65	-20	179.6	0	0	0	0	0	114.1	Q25	Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 2.99Å
30	S	53.5	Low	50.9	Low	87 Å²	87	118.9 Å²	118.9	61%	0.608	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	0.3	-178.9	46.1	0	0	0	0	115	E26 Q27 V28 P32	E26-S30 WeakPolarHBondContact O-CB 3.49Å; E26-S30 PolarHBondContact O-N 3.25Å; E26-S30 PolarHBondContact O-OG 3.25Å; Q27-S30 PolarHBondContact O-OG 3.16Å; V28-S30 PolarHBondContact O-N 3.45Å; S30-P32 WeakPolarHBondContact O-CD 3.28Å
31	K	46.8	Very low	49.7	Very low	153 Å²	153	121 Å²	121	67%	0.665	67%	0.667	S	S	*	*	S	Bend	trans	-90	114.8	173.8	-74.2	177.7	-179.4	169.1	0	111.5	V28 S33	V28-K31 PolarHBondContact O-N 3.24Å; K31-S33 PolarHBondContact O-N 2.97Å
32	P	43	Very low	48.5	Very low	134 Å²	134	126.2 Å²	126.2	87%	0.87	70%	0.699	S	S	*	*			trans	-76.4	121.1	-179.7	29.4	-33.8	0	0	0	112.4	S30	S30-P32 WeakPolarHBondContact O-CD 3.28Å
33	S	43.8	Very low	47.4	Very low	115 Å²	115	125.8 Å²	125.8	80%	0.804	71%	0.709	S	S	*	*			trans	-97.1	105.2	174.7	52.2	0	0	0	0	112.1	K31	K31-S33 PolarHBondContact O-N 2.97Å
34	K	37.6	Very low	46.2	Very low	195 Å²	195	128.3 Å²	128.3	85%	0.848	73%	0.733	S	S	*	*			trans	-144.2	127.6	159.5	-76.3	-166.3	177	-179	0	111.1
35	P	43.9	Very low	45	Very low	132 Å²	132	131.7 Å²	131.7	86%	0.857	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-74.1	135.6	165.8	31.3	-31.6	0	0	0	109.5
36	K	36.1	Very low	44.1	Very low	211 Å²	211	138.7 Å²	138.7	92%	0.917	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-79.6	127.7	168.5	-80.9	-172.7	173.7	-176.5	0	109.4
37	A	36.1	Very low	42.7	Very low	97 Å²	97	144 Å²	144	80%	0.802	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.7	149	167.4	0	0	0	0	0	110.7
38	M	40.6	Very low	41.7	Very low	190 Å²	190	140.8 Å²	140.8	94%	0.936	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.5	132.2	168.2	-87.5	168.6	50	0	0	110
39	E	38.5	Very low	41.2	Very low	181 Å²	181	144 Å²	144	85%	0.846	82%	0.823	S	S	*	*			trans	-106.2	158.4	162.3	-82	-168.4	149	0	0	111.1
40	P	38.4	Very low	40.2	Very low	128 Å²	128	145.9 Å²	145.9	83%	0.831	83%	0.825	S	S	*	*			trans	-79.1	151.8	-165.3	-12.3	30	0	0	0	114
41	L	36.9	Very low	39.6	Very low	174 Å²	174	147.7 Å²	147.7	91%	0.911	84%	0.835	S	S	*	*			trans	-88.8	128.1	176.6	-77.8	159.8	0	0	0	112.4
42	T	33.3	Very low	39.4	Very low	134 Å²	134	146.8 Å²	146.8	82%	0.822	84%	0.842	S	S	*	*			trans	-133.1	156.9	157.7	38.4	0	0	0	0	110.1
43	P	43	Very low	39.2	Very low	121 Å²	121	145.6 Å²	145.6	79%	0.786	83%	0.834	S	S	*	*			trans	-102.8	148.4	-136.5	36.1	-36.3	0	0	0	118
44	A	39.3	Very low	39.2	Very low	105 Å²	105	146.4 Å²	146.4	87%	0.868	84%	0.836	S	S	*	*			trans	64.1	124.7	144.2	0	0	0	0	0	121.6
45	A	32	Very low	39.1	Very low	98 Å²	98	146.3 Å²	146.3	81%	0.81	84%	0.839	S	S	*	*			trans	-145.4	133.3	142.5	0	0	0	0	0	110.4
46	Y	39.5	Very low	38.6	Very low	235 Å²	235	152.3 Å²	152.3	92%	0.922	84%	0.844	S	S	*	*			trans	-62.6	134.8	178.8	-109.5	-111.6	0	0	0	112.4
47	R	36.4	Very low	38.5	Very low	248 Å²	248	146.2 Å²	146.2	94%	0.936	83%	0.834	S	S	*	*			trans	-141.3	140.3	151.8	-71.9	-162.3	178.3	-163.2	-0	110.4
48	G	42.7	Very low	38.3	Very low	60 Å²	60	147.3 Å²	147.3	62%	0.619	83%	0.83	S	S	*	*			trans	-80.4	-176.3	-167.7	0	0	0	0	0	116
49	P	43.1	Very low	37.9	Very low	136 Å²	136	147.2 Å²	147.2	88%	0.883	83%	0.825	S	S	*	*			trans	-73.6	148	-170.8	30	-35.5	0	0	0	113.7
50	V	39.8	Very low	37.6	Very low	130 Å²	130	145 Å²	145	79%	0.788	82%	0.824	S	S	*	*			trans	-108.4	146.3	178.2	176.5	0	0	0	0	109.5
51	P	40.4	Very low	37.2	Very low	124 Å²	124	142.5 Å²	142.5	81%	0.805	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.1	160.5	-156	-15.1	32	0	0	0	116.9
52	V	43.7	Very low	36.9	Very low	134 Å²	134	141.2 Å²	141.2	81%	0.812	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-102.7	140.4	174.1	-179.8	0	0	0	0	110.4
53	P	37.6	Very low	36.8	Very low	110 Å²	110	139.6 Å²	139.6	71%	0.714	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.9	153.5	176.1	-17.8	32.1	0	0	0	113.7
54	P	44.4	Very low	36.3	Very low	131 Å²	131	139.5 Å²	139.5	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-82.2	134.7	-166.8	31.4	-35.5	0	0	0	114.7
55	Q	36.6	Very low	35.8	Very low	194 Å²	194	137.8 Å²	137.8	91%	0.907	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-95.9	142.3	155.8	-72.5	-175.3	-16	0	0	109.9
56	R	32.2	Very low	35.8	Very low	257 Å²	257	140.4 Å²	140.4	97%	0.97	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-91	124.6	179.5	-163.4	174.9	-172.4	176.2	2.1	110.2
57	A	34.2	Very low	35.4	Very low	84 Å²	84	136.9 Å²	136.9	69%	0.694	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-90.5	165	-171.1	0	0	0	0	0	114.2
58	T	32.3	Very low	35.1	Very low	119 Å²	119	131.7 Å²	131.7	73%	0.73	78%	0.779	S	S	*	*				-168.3	125.5	114.3	26	0	0	0	0	110
59	K	31.6	Very low	34.4	Very low	189 Å²	189	134.5 Å²	134.5	82%	0.822	79%	0.785	S	S	*	*				61.8	134.8	109.1	-63.5	-178	180	-176.1	0	114.3
60	T	31.8	Very low	33.6	Very low	134 Å²	134	138.5 Å²	138.5	82%	0.822	78%	0.782	S	S	*	*			cis	-160.5	168.2	16.3	26.3	0	0	0	0	108.2
61	A	30.7	Very low	33	Very low	76 Å²	76	137.3 Å²	137.3	63%	0.628	78%	0.775	S	S	*	*			cis	-176.2	178.3	-19.3	0	0	0	0	0	108.3
62	N	31.5	Very low	32.4	Very low	146 Å²	146	136.9 Å²	136.9	78%	0.781	77%	0.774	S	S	*	*			trans	65.7	114	168.3	-63.2	4.2	0	0	0	116.1
63	S	30.8	Very low	31.7	Very low	100 Å²	100	137 Å²	137	70%	0.699	78%	0.775	S	S	*	*				69.2	133	66.4	82	0	0	0	0	112.6
64	S	31.5	Very low	31.4	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	78%	0.777	S	S	*	*			cis	-147.6	170.6	14.7	-60.1	0	0	0	0	110.4
65	G	29.5	Very low	31.4	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	77%	0.773	S	S	*	*			trans	-93.3	-175.3	-175.5	0	0	0	0	0	116.9
66	D	31.3	Very low	31.1	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	76%	0.764	S	S	*	*			trans	75.8	125.5	150.7	-73.4	-9.7	0	0	0	123.9
67	H	31.6	Very low	31	Very low	161 Å²	161	123.1 Å²	123.1	75%	0.745	75%	0.752	S	S	*	*			trans	103.1	131.9	130.1	-97.8	-61.1	0	0	0	122.1
68	L	29.4	Very low	30.9	Very low	140 Å²	140	125.6 Å²	125.6	73%	0.733	75%	0.754	S	S	*	*			trans	90.7	110.9	149.5	-68.6	157.8	0	0	0	120
69	T	27.6	Very low	30.7	Very low	118 Å²	118	126.2 Å²	126.2	72%	0.724	75%	0.752	S	S	*	*				23.9	140.9	128	56.9	0	0	0	0	118.8
70	R	28.2	Very low	30.7	Very low	220 Å²	220	122.8 Å²	122.8	83%	0.83	74%	0.743	S	S	*	*				-174.7	142.9	55.5	-147.9	-173.8	173.1	163.3	-5.4	112.1
71	T	27.1	Very low	30.5	Very low	106 Å²	106	123.4 Å²	123.4	65%	0.65	74%	0.741	S	S	*	*			trans	43.7	132.9	144.4	50.7	0	0	0	0	124.2
72	C	26.3	Very low	30.4	Very low	115 Å²	115	124.5 Å²	124.5	78%	0.777	75%	0.75	S	S	*	*			trans	68.3	132.9	144.4	-59.1	0	0	0	0	116.8
73	T	30	Very low	30.4	Very low	137 Å²	137	122.7 Å²	122.7	84%	0.84	76%	0.755	S	S	*	*			cis	-157.7	156.7	45.1	39.2	0	0	0	0	112.1
74	A	31.7	Very low	30.2	Very low	90 Å²	90	121.8 Å²	121.8	74%	0.744	76%	0.762	S	S	*	*			trans	-85.2	165.7	155.8	0	0	0	0	0	108.4
75	P	44.2	Very low	30.1	Very low	120 Å²	120	122.8 Å²	122.8	78%	0.779	76%	0.758	S	S	*	*				-155	167.1	55.7	43.2	-22.1	0	0	0	119.5
76	A	30.3	Very low	30.1	Very low	85 Å²	85	126 Å²	126	70%	0.702	75%	0.754	S	S	*	*			trans	67.6	143.1	135.8	0	0	0	0	0	124
77	S	30.4	Very low	29.9	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	75%	0.75	S	S	*	*			trans	81.5	145.7	145.1	86	0	0	0	0	117.7
78	N	30.4	Very low	29.7	Very low	137 Å²	137	122.1 Å²	122.1	73%	0.733	75%	0.752	S	S	*	*			cis	-166	159.1	-22.4	-118.8	-15.5	0	0	0	110.9
79	L	29.3	Very low	29.6	Very low	131 Å²	131	121.8 Å²	121.8	69%	0.686	76%	0.76	S	S	*	*			trans	64	127.6	141.9	-69	164.7	0	0	0	122.6
80	N	30.1	Very low	29.6	Very low	117 Å²	117	125 Å²	125	63%	0.626	77%	0.766	S	S	*	*				97.2	121.6	128.9	-73.8	-11.4	0	0	0	122.1
81	N	28.8	Very low	29.6	Very low	147 Å²	147	125.5 Å²	125.5	79%	0.786	77%	0.77	S	S	*	*				44.3	136.4	123.7	-51.7	-16.7	0	0	0	118.5
82	A	29.1	Very low	29.6	Very low	99 Å²	99	123.4 Å²	123.4	82%	0.818	77%	0.769	S	S	*	*			cis	-165.2	-179.6	45	0	0	0	0	0	112.6
83	A	29.9	Very low	29.7	Very low	108 Å²	108	128.6 Å²	128.6	89%	0.893	78%	0.779	S	S	*	*			trans	-72.4	157.4	174.4	0	0	0	0	0	113.3
84	G	27.6	Very low	29.5	Very low	82 Å²	82	125.9 Å²	125.9	85%	0.845	78%	0.778	S	S	*	*			trans	-160	127.1	171.7	0	0	0	0	0	110.1
85	N	28.6	Very low	29.2	Very low	140 Å²	140	131.3 Å²	131.3	75%	0.749	79%	0.788	S	S	*	*			trans	-110.7	172.9	-169	-162.9	18.7	0	0	0	111.3
86	H	29.5	Very low	28.3	Very low	138 Å²	138	128.7 Å²	128.7	64%	0.639	78%	0.783	S	S	*	*			trans	88.5	130.1	158.7	-74.5	-68.5	0	0	0	122.8
87	N	27.6	Very low	28	Very low	135 Å²	135	132.3 Å²	132.3	72%	0.722	79%	0.79	S	S	*	*			trans	68.1	114.6	142	-55	-3.7	0	0	0	117.7
88	A	27.1	Very low	27.8	Very low	96 Å²	96	136.1 Å²	136.1	79%	0.793	79%	0.793	S	S	*	*				70.7	104.5	62	0	0	0	0	0	113.3
89	C	28	Very low	27.5	Very low	132 Å²	132	136.6 Å²	136.6	89%	0.892	80%	0.796	S	S	*	*			trans	-137.4	126.6	159.2	-95.3	0	0	0	0	109
90	E	27	Very low	27.6	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	80%	0.797	S	S	*	*			trans	-107.6	132.5	178.9	174.4	-178.3	-142.6	0	0	107.9
91	Y	29.6	Very low	27.2	Very low	232 Å²	232	135.6 Å²	135.6	91%	0.91	80%	0.801	S	S	*	*			trans	-149.7	133.4	164.9	-93	-77	0	0	0	108.9
92	G	25.6	Very low	26.9	Very low	61 Å²	61	137.4 Å²	137.4	63%	0.629	80%	0.802	S	S	*	*			trans	-132.3	-160.2	-177.6	0	0	0	0	0	113.7
93	F	28.4	Very low	26.6	Very low	225 Å²	225	139.1 Å²	139.1	99%	0.987	80%	0.802	S	S	*	*			trans	84.1	130.9	179.1	-67.7	-82.3	0	0	0	118.8
94	G	25.4	Very low	26.3	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	79%	0.794	S	S	*	*			trans	156	81.1	172.8	0	0	0	0	0	113.1
95	E	26.9	Very low	26.2	Very low	204 Å²	204	146.1 Å²	146.1	95%	0.953	79%	0.794	S	S	*	*			trans	-80.8	157.3	173.9	-66.6	-167.7	133.3	0	0	113.4
96	G	24.3	Very low	26.2	Very low	66 Å²	66	147.1 Å²	147.1	68%	0.68	79%	0.792	S	S	*	*			trans	138	137.2	135.8	0	0	0	0	0	119.6
97	L	25.5	Very low	26.1	Very low	161 Å²	161	149.2 Å²	149.2	84%	0.843	80%	0.799	S	S	*	*			trans	73.3	119.4	168.9	-60.5	115.9	0	0	0	116.8
98	K	24.3	Very low	26.1	Very low	183 Å²	183	147.4 Å²	147.4	80%	0.796	79%	0.79	S	S	*	*				63.5	127.4	60.7	-61.6	177.5	-177.9	177.1	0	111.6
99	N	24	Very low	26.1	Very low	148 Å²	148	150 Å²	150	79%	0.791	79%	0.785	S	S	*	*			cis	-154.1	169	14.1	-109	-4.8	0	0	0	111.4
100	P	31.9	Very low	26	Very low	109 Å²	109	151.2 Å²	151.2	71%	0.708	78%	0.778	S	S	*	*			trans	-92.7	176.9	-180	36	-32.6	0	0	0	114.2
101	V	22.2	Very low	26.2	Very low	117 Å²	117	149.3 Å²	149.3	71%	0.709	77%	0.773	S	S	*	*			trans	145	147.1	140.1	163.8	0	0	0	0	115.7
102	K	21.9	Very low	26.1	Very low	185 Å²	185	149.1 Å²	149.1	80%	0.804	77%	0.771	S	S	*	*			trans	78.5	119.4	168.4	-77.7	151.2	-165.5	176.7	0	117.1
103	V	22.9	Very low	26.5	Very low	135 Å²	135	154.2 Å²	154.2	82%	0.818	78%	0.782	S	S	*	*			cis	78.9	113.4	43.4	179.8	0	0	0	0	114
104	E	23.6	Very low	26.7	Very low	154 Å²	154	149 Å²	149	72%	0.72	77%	0.769	S	S	*	*			trans	-152.9	113	138.2	-129	-168.8	156.3	0	0	112	K106	E104-K106 WeakPolarHBondContact OE1-CE 3Å; E104-K106 IonicContact OE1-NZ 3.93Å; E104-K106 PolarHBondContact OE1-NZ 3.35Å; E104-K106 IonicContact OE2-NZ 3.7Å
105	E	27	Very low	26.9	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	77%	0.766	S	S	*	*			trans	-99.1	140.8	156.2	-90	-171.3	131.3	0	0	108.8
106	K	26.9	Very low	27.5	Very low	162 Å²	162	145.6 Å²	145.6	70%	0.704	76%	0.76	S	S	*	*			trans	-128.2	108.4	158.7	-85.7	169.3	173.5	134.5	0	106.9	E104	E104-K106 WeakPolarHBondContact OE1-CE 3Å; E104-K106 IonicContact OE1-NZ 3.93Å; E104-K106 PolarHBondContact OE1-NZ 3.35Å; E104-K106 IonicContact OE2-NZ 3.7Å
107	K	27.8	Very low	28.1	Very low	182 Å²	182	154 Å²	154	79%	0.791	77%	0.771	S	S	*	*				69.9	134.8	89.8	-92	-162.8	170.8	179.4	0	113.1
108	N	27.8	Very low	29.1	Very low	97 Å²	97	154.9 Å²	154.9	52%	0.519	77%	0.771	S	S	.	*			cis	-165.2	156.9	-0.3	-142.3	7	0	0	0	112
109	Q	26.3	Very low	30.1	Very low	149 Å²	149	151.9 Å²	151.9	70%	0.696	77%	0.77	S	S	*	*			trans	47.7	131.7	141.8	-74.4	161.8	1	0	0	120.4
110	Q	27.8	Very low	31	Very low	159 Å²	159	150.4 Å²	150.4	74%	0.743	77%	0.769	S	S	*	*				-149.4	141.4	89.2	-154.5	66.6	24.9	0	0	114.1
111	N	30.7	Very low	31.6	Very low	144 Å²	144	151 Å²	151	77%	0.77	77%	0.773	S	S	*	*			trans	69.5	110.7	163.8	-66.2	-10.5	0	0	0	121
112	R	27.8	Very low	32.9	Very low	228 Å²	228	152 Å²	152	86%	0.86	78%	0.779	S	S	*	*			trans	-123	123.8	160.5	-177.8	-170.1	-163.7	-172.1	7	107.3
113	I	33.5	Very low	33.9	Very low	168 Å²	168	148.6 Å²	148.6	86%	0.862	78%	0.776	S	S	*	*			trans	-126.1	144.4	162.3	-63.6	-177.2	0	0	0	107.7
114	V	32.2	Very low	34.9	Very low	116 Å²	116	148.8 Å²	148.8	70%	0.703	78%	0.777	S	S	*	*			trans	-102.2	140.5	-161.8	175.8	0	0	0	0	111.5
115	A	29.6	Very low	35.8	Very low	91 Å²	91	149.2 Å²	149.2	75%	0.752	78%	0.784	S	S	*	*			trans	-154.6	123.9	147.6	0	0	0	0	0	110
116	S	39	Very low	36.6	Very low	120 Å²	120	145.7 Å²	145.7	84%	0.839	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-76.2	126.2	165.8	46.6	0	0	0	0	109.4
117	R	36.5	Very low	37.2	Very low	243 Å²	243	143.7 Å²	143.7	92%	0.917	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-99.8	133.7	171	-87.2	-177.7	164.8	171.1	-4.9	110.7
118	E	47.1	Very low	37.8	Very low	180 Å²	180	147.2 Å²	147.2	84%	0.841	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63.9	156.6	166.4	-68.9	-178.5	134.8	0	0	111.3
119	P	45.3	Very low	38.1	Very low	119 Å²	119	152.2 Å²	152.2	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.2	145.5	172.1	28.5	-34.8	0	0	0	111.3
120	P	43.2	Very low	38.5	Very low	117 Å²	117	149.2 Å²	149.2	76%	0.76	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-69.8	152.4	-178.8	29.7	-35.5	0	0	0	112.2
121	P	44.8	Very low	38.9	Very low	123 Å²	123	147.3 Å²	147.3	80%	0.799	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-68.5	145.4	178.1	28.9	-34.8	0	0	0	112.1
122	V	49.7	Very low	39.1	Very low	137 Å²	137	149.6 Å²	149.6	83%	0.83	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.5	130.2	175.9	-179.1	0	0	0	0	109.8
123	P	41.4	Very low	39.6	Very low	114 Å²	114	143.9 Å²	143.9	74%	0.74	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-63.2	137.3	176	-21.9	33.2	0	0	0	112.3
124	T	45.9	Very low	40	Very low	138 Å²	138	142 Å²	142	85%	0.847	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.2	134.4	172.6	40.2	0	0	0	0	111.1
125	L	40.6	Very low	40.2	Very low	164 Å²	164	141.8 Å²	141.8	86%	0.859	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.3	136.6	176.3	-70.4	168.1	0	0	0	110.6
126	P	45	Very low	40.6	Very low	109 Å²	109	145.1 Å²	145.1	71%	0.708	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.8	148.9	176.3	28.5	-34.4	0	0	0	111.3
127	P	40.3	Very low	40.6	Very low	120 Å²	120	145 Å²	145	78%	0.779	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.9	139.2	-177.8	26.1	-34.2	0	0	0	111.8	K129	P127-K129 PolarHBondContact O-N 3Å; P127-K129 VanDerWaalsContact O-N 3.11Å
128	R	40.3	Very low	40.8	Very low	255 Å²	255	141.4 Å²	141.4	96%	0.962	81%	0.808	S	S	*	*			trans	-57.4	114	174.7	-71.6	-179.1	176.5	178.5	-0.9	110
129	K	33.8	Very low	40.8	Very low	203 Å²	203	138 Å²	138	88%	0.883	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.8	134.8	164.6	-74.6	-172.6	176	-178.5	0	109.3	P127	P127-K129 PolarHBondContact O-N 3Å; P127-K129 VanDerWaalsContact O-N 3.11Å
130	A	35	Very low	41	Very low	86 Å²	86	138 Å²	138	71%	0.711	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65.1	151.7	-179	0	0	0	0	0	112.3
131	S	34.2	Very low	41.1	Very low	118 Å²	118	137.7 Å²	137.7	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.5	124	172.4	49.3	0	0	0	0	111.5
132	F	35	Very low	40.9	Very low	192 Å²	192	137.9 Å²	137.9	84%	0.842	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-92	140.8	160.3	-79.7	-86.1	0	0	0	109.9
133	P	38.9	Very low	40.4	Very low	109 Å²	109	138.8 Å²	138.8	71%	0.708	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.7	147.1	-179.2	33.1	-34.5	0	0	0	111.6
134	P	42.7	Very low	40	Very low	127 Å²	127	138.4 Å²	138.4	83%	0.825	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.7	137.5	164.7	31.2	-32.3	0	0	0	110.3
135	S	35	Very low	39.4	Very low	113 Å²	113	142 Å²	142	79%	0.79	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.9	146.5	174.4	36.1	0	0	0	0	112.2
136	N	39.2	Very low	38.8	Very low	161 Å²	161	141.7 Å²	141.7	86%	0.861	80%	0.801	S	S	*	*	S	Bend	trans	81.1	146.8	177.4	-73.8	-1.6	0	0	0	119.1
137	P	39.6	Very low	38.2	Very low	118 Å²	118	142.1 Å²	142.1	77%	0.766	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-101	154.3	-148.1	37.8	-35	0	0	0	115.3
138	L	40.3	Very low	37.6	Very low	166 Å²	166	141.2 Å²	141.2	87%	0.869	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-81.9	150	168	-72.2	164.1	0	0	0	111.4
139	P	46.3	Very low	37.1	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.8	155.2	173.4	30.7	-35	0	0	0	112.1
140	P	50.6	Low	36.8	Very low	120 Å²	120	128.4 Å²	128.4	78%	0.779	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.9	151.6	-175.3	29.9	-35.6	0	0	0	113.1
141	P	45.3	Very low	36.5	Very low	111 Å²	111	134.4 Å²	134.4	72%	0.721	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.6	153.7	177	32.4	-35.5	0	0	0	112.3
142	P	39.3	Very low	36.3	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.3	136.7	174.5	29	-33.7	0	0	0	111.9
143	I	39.5	Very low	35.9	Very low	156 Å²	156	131.8 Å²	131.8	80%	0.8	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-77	135.8	-179.6	-62.8	167.2	0	0	0	110.3
144	P	33.4	Very low	35.3	Very low	107 Å²	107	139.3 Å²	139.3	70%	0.695	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.3	137	171.4	-13.4	28.2	0	0	0	111.3
145	K	32.7	Very low	34.5	Very low	212 Å²	212	136.5 Å²	136.5	92%	0.922	81%	0.808	S	S	*	*			trans	-91	99.5	166.8	-79.7	-172.4	174.1	-176.9	0	109.8
146	D	29.4	Very low	34.1	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	81%	0.812	S	S	*	*			trans	-68.9	149.3	166	-82.4	-42.3	0	0	0	111.8
147	S	30.6	Very low	33.5	Very low	117 Å²	117	134.5 Å²	134.5	82%	0.818	81%	0.807	S	S	*	*			trans	-90.9	144.3	175.1	69.1	0	0	0	0	111.6
148	A	29.2	Very low	32.9	Very low	101 Å²	101	137.1 Å²	137.1	84%	0.835	81%	0.813	S	S	*	*			trans	-147.9	136.9	160.7	0	0	0	0	0	112.5
149	A	28.9	Very low	32.3	Very low	96 Å²	96	136.7 Å²	136.7	79%	0.793	81%	0.81	S	S	*	*			trans	0	123.9	160.6	0	0	0	0	0	118.7
150	A	27.9	Very low	32.3	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	81%	0.808	S	S	*	*				83	122.6	65.5	0	0	0	0	0	114.8
151	F	27.9	Very low	31.2	Very low	213 Å²	213	137.5 Å²	137.5	93%	0.934	81%	0.808	S	S	*	*			trans	-144.8	141.5	161.8	-123.8	-89.9	0	0	0	110.2
152	Q	29.6	Very low	30.2	Very low	191 Å²	191	138.3 Å²	138.3	89%	0.893	81%	0.811	S	S	*	*			trans	-80.3	165.1	178.5	-59.4	156.5	-9.2	0	0	109.7
153	G	26.7	Very low	29.8	Very low	64 Å²	64	141.1 Å²	141.1	66%	0.66	81%	0.81	S	S	*	*			cis	162.6	178.5	4.2	0	0	0	0	0	109.9
154	R	27.1	Very low	29.7	Very low	267 Å²	267	138.9 Å²	138.9	100%	1.008	81%	0.806	S	S	*	*			trans	83	137.7	-173.3	-51.9	174.8	176.4	-167.2	-1.4	115.1
155	G	26	Very low	29.4	Very low	67 Å²	67	140.8 Å²	140.8	69%	0.691	81%	0.81	S	S	*	*			cis	179.6	135.6	-9.1	0	0	0	0	0	114.5
156	T	27.1	Very low	29.1	Very low	141 Å²	141	135.1 Å²	135.1	87%	0.865	80%	0.797	S	S	*	*			trans	43.3	109.5	148.6	52.1	0	0	0	0	123.5
157	A	27.1	Very low	29	Very low	91 Å²	91	136 Å²	136	75%	0.752	79%	0.794	S	S	*	*				56.9	129.3	121.5	0	0	0	0	0	123.6
158	L	26.5	Very low	28.9	Very low	174 Å²	174	140 Å²	140	91%	0.911	79%	0.791	S	S	*	*				178.7	160	109.1	-92	163.6	0	0	0	113.1
159	I	26.5	Very low	28.7	Very low	156 Å²	156	142.4 Å²	142.4	80%	0.8	79%	0.785	S	S	*	*			trans	-128.5	177.7	176.6	-6.4	176	0	0	0	107.2
160	P	47.6	Very low	28.6	Very low	100 Å²	100	144.6 Å²	144.6	65%	0.649	79%	0.789	S	S	*	*			cis	-135.6	-159.3	-17.9	34	-10.7	0	0	0	114
161	N	25.8	Very low	28.6	Very low	145 Å²	145	146.2 Å²	146.2	78%	0.775	78%	0.784	S	S	*	*			trans	79.9	146	162.1	-77.4	-5.1	0	0	0	118.6
162	T	26.3	Very low	28.6	Very low	128 Å²	128	146.8 Å²	146.8	79%	0.785	78%	0.782	S	S	*	*			cis	-151.1	154.3	15.2	10	0	0	0	0	112.8
163	K	29.8	Very low	28.6	Very low	185 Å²	185	143.6 Å²	143.6	80%	0.804	78%	0.776	S	S	*	*			trans	-93.4	165.1	152.8	-66.5	-174.7	174.7	-177.3	0	109.7
164	P	37.7	Very low	28.7	Very low	110 Å²	110	148.6 Å²	148.6	71%	0.714	79%	0.787	S	S	*	*				-133.4	145.8	83.7	11	13.3	0	0	0	113.3
165	D	26.6	Very low	28.9	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	78%	0.78	S	S	*	*				69.7	143.2	98.9	-54.6	-39.9	0	0	0	114.5
166	S	27.8	Very low	29.2	Very low	93 Å²	93	148.2 Å²	148.2	65%	0.65	78%	0.778	S	S	*	*			cis	-163.5	142.6	31.5	56.7	0	0	0	0	114.8
167	F	27.1	Very low	29.9	Very low	176 Å²	176	148.6 Å²	148.6	77%	0.772	78%	0.78	S	S	*	*			trans	63.3	147.7	145.3	-75	-125.7	0	0	0	119.7
168	R	28.5	Very low	30.5	Very low	203 Å²	203	148.6 Å²	148.6	77%	0.766	77%	0.774	S	S	*	*			cis	-156.8	122.3	-7.5	-134.3	-175.9	-168.2	167.2	1.5	111
169	Q	24.9	Very low	31.1	Very low	150 Å²	150	150.1 Å²	150.1	70%	0.701	77%	0.768	S	S	*	*			trans	25.6	125.8	130.3	-167.5	175.9	23.4	0	0	122.5
170	T	26.8	Very low	31.7	Very low	143 Å²	143	147.7 Å²	147.7	88%	0.877	76%	0.764	S	S	*	*				-154.9	144.9	125.3	36.6	0	0	0	0	110.6
171	D	27	Very low	31	Very low	127 Å²	127	150.2 Å²	150.2	68%	0.679	77%	0.772	S	S	*	*			trans	-77.5	151.9	-167.8	-53.4	-79	0	0	0	116.2
172	Y	27.9	Very low	31.3	Very low	224 Å²	224	146.4 Å²	146.4	88%	0.878	76%	0.756	S	S	*	*			trans	-154.5	94	141.4	-101.1	-69.5	0	0	0	112.1
173	T	30.5	Very low	31.7	Very low	124 Å²	124	146 Å²	146	76%	0.761	76%	0.756	S	S	*	*			trans	35.3	113.9	150.6	57.8	0	0	0	0	120.3
174	D	29	Very low	32.4	Very low	170 Å²	170	140.4 Å²	140.4	91%	0.909	74%	0.74	S	S	*	*			trans	-53	139.5	168	-70.9	-61.7	0	0	0	114.6
175	R	30.5	Very low	33	Very low	228 Å²	228	137.3 Å²	137.3	86%	0.86	72%	0.719	S	S	*	*			trans	-125.2	115.6	166.1	-161.2	-178.7	-166.4	-158.8	1.9	107.8	T177	R175-T177 PolarHBondContact O-N 3.26Å
176	P	32.7	Very low	33.9	Very low	98 Å²	98	135.4 Å²	135.4	64%	0.636	71%	0.709	S	S	*	*			trans	-73.4	112.7	-167	26.2	-33.9	0	0	0	113.2	S178	P176-S178 PolarHBondContact O-N 2.96Å; P176-S178 VanDerWaalsContact O-N 3.16Å
177	T	41.6	Very low	34.9	Very low	148 Å²	148	134.6 Å²	134.6	91%	0.908	70%	0.704	S	S	*	*			trans	-81.8	76.1	178.8	-35.6	0	0	0	0	111.5	R175	R175-T177 PolarHBondContact O-N 3.26Å
178	S	38.8	Very low	36	Very low	91 Å²	91	129 Å²	129	64%	0.636	68%	0.681	S	S	*	*			trans	-156.2	26.8	-178.9	79.2	0	0	0	0	117.5	P176	P176-S178 PolarHBondContact O-N 2.96Å; P176-S178 VanDerWaalsContact O-N 3.16Å
179	W	40.6	Very low	37.1	Very low	206 Å²	206	124.5 Å²	124.5	78%	0.78	66%	0.664	S	S	*	*	S	Bend	trans	-105.2	-2.2	-172.9	-76.7	90.4	0	0	0	116.3
180	C	38.1	Very low	38.3	Very low	105 Å²	105	124.7 Å²	124.7	71%	0.709	66%	0.664	S	S	*	*	S	Bend	trans	-87.4	-30	-172.4	-65.2	0	0	0	0	115.1	S182	C180-S182 PolarHBondContact O-N 2.87Å
181	D	33.5	Very low	39.5	Very low	154 Å²	154	119.9 Å²	119.9	82%	0.824	64%	0.639	S	S	*	*			trans	-98.9	20.5	-158.9	-54.2	-41.7	0	0	0	115.9
182	S	31.9	Very low	40.6	Very low	64 Å²	64	115.8 Å²	115.8	45%	0.448	62%	0.616	S	S	.	*			trans	-92.2	121.2	175.9	-73.2	0	0	0	0	111.6	C180 S184 T185	C180-S182 PolarHBondContact O-N 2.87Å; S182-S184 PolarHBondContact O-N 2.96Å; S182-T185 PolarHBondContact O-N 2.61Å; S182-T185 PolarHBondContact O-OG1 3.43Å
183	P	33.7	Very low	41.7	Very low	119 Å²	119	110.6 Å²	110.6	77%	0.773	60%	0.603	S	S	*	*	H	α-helix	trans	-55.3	-21.5	-179.3	-28.8	35.9	0	0	0	115.5	T185	P183-T185 VanDerWaalsContact C-N 3.3Å; P183-T185 PolarHBondContact O-N 3.28Å
184	S	45.5	Very low	42.7	Very low	68 Å²	68	106.8 Å²	106.8	48%	0.476	58%	0.582	S	S	.	*	H	α-helix	trans	-70.7	-15.3	173.5	54.8	0	0	0	0	115.2	S182 S187 M188	S182-S184 PolarHBondContact O-N 2.96Å; S184-S187 PolarHBondContact O-OG 3.14Å; S184-M188 VanDerWaalsContact O-CE 3.27Å; S184-M188 WeakPolarHBondContact O-CE 3.12Å
185	T	50.7	Low	43.7	Very low	45 Å²	45	104.9 Å²	104.9	28%	0.276	58%	0.582	S	S	.	*	H	α-helix	trans	-78.5	-40.1	179.5	59.8	0	0	0	0	111.4	S182 P183 M188 R189	S182-T185 PolarHBondContact O-N 2.61Å; S182-T185 PolarHBondContact O-OG1 3.43Å; P183-T185 VanDerWaalsContact C-N 3.3Å; P183-T185 PolarHBondContact O-N 3.28Å; T185-M188 PolarHBondContact O-N 2.94Å; T185-R189 WeakPolarHBondContact O-CB 3.18Å; T185-R189 PolarHBondContact O-N 2.88Å
186	N	45.1	Very low	45	Very low	107 Å²	107	100 Å²	100	57%	0.572	57%	0.569	S	S	*	*	H	α-helix	trans	-65.3	-42.1	-179	-85.4	-25.7	0	0	0	113	R189 Q190	N186-R189 WeakPolarHBondContact O-CB 3.32Å; N186-R189 PolarHBondContact O-N 2.67Å; N186-Q190 PolarHBondContact O-N 3.34Å
187	S	49.8	Very low	46.3	Very low	76 Å²	76	99.4 Å²	99.4	53%	0.531	57%	0.573	S	S	.	*	H	α-helix	trans	-66.8	-37.5	175	56.5	0	0	0	0	112.5	S184 A191	S184-S187 PolarHBondContact O-OG 3.14Å; S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.48Å; S187-A191 VanDerWaalsContact O-N 3.15Å
188	M	49.8	Very low	47.4	Very low	60 Å²	60	94.8 Å²	94.8	30%	0.296	55%	0.554	S	S	.	*	H	α-helix	trans	-63.9	-42.7	169.1	-82.4	-168.1	-72.5	0	0	112	S184 T185 Q190 A191 M192 L203	S184-M188 VanDerWaalsContact O-CE 3.27Å; S184-M188 WeakPolarHBondContact O-CE 3.12Å; T185-M188 PolarHBondContact O-N 2.94Å; M188-Q190 VanDerWaalsContact C-N 3.31Å; M188-Q190 PolarHBondContact O-N 3.15Å; M188-A191 CarbonylContact O-C 3.53Å; M188-A191 PolarHBondContact O-N 3.39Å; M188-M192 WeakPolarHBondContact O-CB 3.38Å; M188-M192 WeakPolarHBondContact O-CG 3.48Å; M188-M192 PolarHBondContact O-N 2.82Å; M188-L203 HydrophobicContact SD-CD1 4.31Å
189	R	50.8	Low	49.1	Very low	107 Å²	107	93.4 Å²	93.4	40%	0.404	54%	0.537	S	S	.	.	H	α-helix	trans	-59.8	-43.4	-179.7	-155.6	179	-156.2	174.8	7.1	110.8	T185 N186 M192 L193	T185-R189 WeakPolarHBondContact O-CB 3.18Å; T185-R189 PolarHBondContact O-N 2.88Å; N186-R189 WeakPolarHBondContact O-CB 3.32Å; N186-R189 PolarHBondContact O-N 2.67Å; R189-M192 PolarHBondContact O-N 3.42Å; R189-L193 WeakPolarHBondContact O-CG 3.39Å; R189-L193 PolarHBondContact O-N 3.43Å
190	Q	49.6	Very low	51	Low	154 Å²	154	86.3 Å²	86.3	72%	0.72	51%	0.511	S	S	*	.	H	α-helix	trans	-66.3	-39.2	177.4	-162.8	169.1	9.8	0	0	112.6	N186 M188 M192	N186-Q190 PolarHBondContact O-N 3.34Å; M188-Q190 VanDerWaalsContact C-N 3.31Å; M188-Q190 PolarHBondContact O-N 3.15Å; Q190-M192 VanDerWaalsContact C-N 3.34Å
191	A	51.8	Low	53	Low	42 Å²	42	86.4 Å²	86.4	35%	0.347	50%	0.5	S	S	.	.	H	α-helix	trans	-77	-11.8	175.4	0	0	0	0	0	114.8	S187 M188 S194 Q199	S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.48Å; S187-A191 VanDerWaalsContact O-N 3.15Å; M188-A191 CarbonylContact O-C 3.53Å; M188-A191 PolarHBondContact O-N 3.39Å; A191-S194 PolarHBondContact O-OG 3.43Å; A191-S194 VanDerWaalsContact O-OG 3.06Å; A191-Q199 PolarHBondContact O-OE1 2.89Å
192	M	51.7	Low	55.6	Low	41 Å²	41	86.6 Å²	86.6	20%	0.202	49%	0.491	C	S	.	.	H	α-helix	trans	-93.1	-17.5	175	-66.7	-77.7	90.8	0	0	112.8	M188 R189 Q190 S194 L203 M533 M536	M188-M192 WeakPolarHBondContact O-CB 3.38Å; M188-M192 WeakPolarHBondContact O-CG 3.48Å; M188-M192 PolarHBondContact O-N 2.82Å; R189-M192 PolarHBondContact O-N 3.42Å; Q190-M192 VanDerWaalsContact C-N 3.34Å; M192-S194 VanDerWaalsContact C-N 3.34Å; M192-L203 HydrophobicContact CE-CB 4.21Å; M192-L203 HydrophobicContact CE-CD2 3.47Å; M192-L203 VanDerWaalsContact CE-CD2 3.47Å; M192-L203 HydrophobicContact CE-CG 4.46Å; M192-L203 HydrophobicContact CG-CD2 4.47Å; M192-L203 HydrophobicContact SD-CD2 3.48Å; M192-L203 WeakPolarHBondContact SD-CD2 3.42Å; M192-M533 HydrophobicContact CE-CE 4.46Å; M192-M533 HydrophobicContact SD-CE 4.02Å; M192-M536 HydrophobicContact CG-CE 3.76Å; M192-M536 HydrophobicContact SD-CE 3.84Å
193	L	49.5	Very low	58.2	Low	115 Å²	115	84.3 Å²	84.3	60%	0.602	47%	0.474	S	S	*	.	S	Bend	trans	-81.2	-15	174.6	-69.6	166	0	0	0	112.4	R189 S195	R189-L193 WeakPolarHBondContact O-CG 3.39Å; R189-L193 PolarHBondContact O-N 3.43Å; L193-S195 PolarHBondContact O-N 3.27Å
194	S	51.3	Low	60.8	Low	45 Å²	45	79.4 Å²	79.4	32%	0.315	44%	0.441	S	S	.	.	S	Bend	trans	-78.4	107.7	168.9	24.4	0	0	0	0	111.2	A191 M192 E196 Q199	A191-S194 PolarHBondContact O-OG 3.43Å; A191-S194 VanDerWaalsContact O-OG 3.06Å; M192-S194 VanDerWaalsContact C-N 3.34Å; S194-E196 PolarHBondContact O-N 2.68Å; S194-Q199 PolarHBondContact OG-OE1 3.42Å
195	S	50.1	Low	62.8	Low	129 Å²	129	82.5 Å²	82.5	90%	0.902	45%	0.445	S	S	*	.			trans	-71.5	41.6	-177.6	-177.9	0	0	0	0	114.8	L193	L193-S195 PolarHBondContact O-N 3.27Å
196	E	59.6	Low	64.7	Low	125 Å²	125	84.1 Å²	84.1	58%	0.584	45%	0.45	S	S	*	.			trans	-101.2	116.2	176.4	-71	-175.1	160.7	0	0	110.9	S194 G198 Q199	S194-E196 PolarHBondContact O-N 2.68Å; E196-G198 PolarHBondContact O-N 3.45Å; E196-Q199 HydrophobicContact CB-CG 4Å; E196-Q199 PolarHBondContact O-N 2.86Å; E196-Q199 PolarHBondContact OE2-NE2 3.26Å
197	A	59.2	Low	66.9	Low	87 Å²	87	81.7 Å²	81.7	72%	0.719	43%	0.433	S	S	*	.	H	α-helix	trans	-54.3	-33	-175	0	0	0	0	0	113.9	Q199 R200 E201	A197-Q199 PolarHBondContact O-N 3.49Å; A197-R200 PolarHBondContact O-N 3.15Å; A197-E201 PolarHBondContact O-N 3.12Å; A197-E201 VanDerWaalsContact O-N 3.12Å
198	G	64	Low	68.9	Low	50 Å²	50	79.2 Å²	79.2	52%	0.515	41%	0.413	S	S	.	.	H	α-helix	trans	-64.9	-32.4	177	0	0	0	0	0	114.3	E196 E201 Y202	E196-G198 PolarHBondContact O-N 3.45Å; G198-E201 PolarHBondContact O-N 2.94Å; G198-Y202 WeakPolarHBondContact O-CB 3.43Å; G198-Y202 PolarHBondContact O-N 2.98Å
199	Q	75	Confident	70.9	Confident	62 Å²	62	78.5 Å²	78.5	29%	0.29	42%	0.421	S	S	.	.	H	α-helix	trans	-69.7	-39	178.1	-59	-173	22.7	0	0	111	A191 S194 E196 A197 L203	A191-Q199 PolarHBondContact O-OE1 2.89Å; S194-Q199 PolarHBondContact OG-OE1 3.42Å; E196-Q199 HydrophobicContact CB-CG 4Å; E196-Q199 PolarHBondContact O-N 2.86Å; E196-Q199 PolarHBondContact OE2-NE2 3.26Å; A197-Q199 PolarHBondContact O-N 3.49Å; Q199-L203 PolarHBondContact O-N 3.48Å
200	R	80.2	Confident	72.9	Confident	58 Å²	58	80.9 Å²	80.9	22%	0.219	43%	0.434	C	S	.	.	H	α-helix	trans	-64.2	-46.4	173.9	175.3	163.4	168.7	130.5	-6	111.6	A197 Y202 L203 I204 M533 D534 E537	A197-R200 PolarHBondContact O-N 3.15Å; R200-Y202 PolarHBondContact O-N 2.95Å; R200-L203 PolarHBondContact O-N 3.02Å; R200-I204 HydrophobicContact CG-CD1 3.93Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å; R200-I204 PolarHBondContact O-N 2.95Å; R200-M533 HydrophobicContact CG-CE 3.81Å; R200-D534 IonicContact CZ-OD1 2.77Å; R200-D534 VanDerWaalsContact CZ-OD1 3.3Å; R200-D534 IonicContact NH1-OD1 2.92Å; R200-D534 PolarHBondContact NH1-OD1 2.92Å; R200-D534 IonicContact NH2-OD1 3.91Å; R200-D534 PolarHBondContact NH2-OD1 3.33Å; R200-D534 IonicContact NH2-OD2 3.65Å; R200-D534 PolarHBondContact NH2-OD2 3.28Å; R200-E537 IonicContact CZ-OE1 2.93Å; R200-E537 IonicContact NH1-OE1 3.72Å; R200-E537 PolarHBondContact NH1-OE1 2.78Å; R200-E537 IonicContact NH1-OE2 3.89Å; R200-E537 PolarHBondContact NH1-OE2 3.48Å
201	E	81.4	Confident	75	Confident	106 Å²	106	77 Å²	77	50%	0.495	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-42.8	177.7	-166.7	-172	162.2	0	0	111.9	A197 G198 L203 I204 K205	A197-E201 PolarHBondContact O-N 3.12Å; A197-E201 VanDerWaalsContact O-N 3.12Å; G198-E201 PolarHBondContact O-N 2.94Å; E201-L203 PolarHBondContact O-N 3.47Å; E201-I204 PolarHBondContact O-N 3.41Å; E201-K205 HydrophobicContact CG-CD 4.46Å; E201-K205 WeakPolarHBondContact O-CG 3.32Å; E201-K205 PolarHBondContact O-N 3Å; E201-K205 WeakPolarHBondContact OE1-CE 3.47Å; E201-K205 IonicContact OE1-NZ 2.73Å; E201-K205 PolarHBondContact OE1-NZ 3.09Å
202	Y	86.3	Confident	77	Confident	159 Å²	159	77.6 Å²	77.6	62%	0.624	41%	0.411	S	S	*	.	H	α-helix	trans	-58.1	-47.4	174.3	175.7	-93.5	0	0	0	112	G198 R200 I204 K205 H206	G198-Y202 WeakPolarHBondContact O-CB 3.43Å; G198-Y202 PolarHBondContact O-N 2.98Å; R200-Y202 PolarHBondContact O-N 2.95Å; Y202-I204 VanDerWaalsContact C-N 3.33Å; Y202-I204 PolarHBondContact O-N 3.13Å; Y202-K205 PolarHBondContact O-N 2.9Å; Y202-H206 WeakPolarHBondContact O-CB 3.32Å; Y202-H206 PolarHBondContact O-N 3.39Å
203	L	86.4	Confident	79	Confident	16 Å²	16	85 Å²	85	8%	0.084	44%	0.442	C	S	.	.	H	α-helix	trans	-64.3	-38	179.6	-174.3	62.7	0	0	0	112	M188 M192 Q199 R200 E201 H206 R207 M533	M188-L203 HydrophobicContact SD-CD1 4.31Å; M192-L203 HydrophobicContact CE-CB 4.21Å; M192-L203 HydrophobicContact CE-CD2 3.47Å; M192-L203 VanDerWaalsContact CE-CD2 3.47Å; M192-L203 HydrophobicContact CE-CG 4.46Å; M192-L203 HydrophobicContact CG-CD2 4.47Å; M192-L203 HydrophobicContact SD-CD2 3.48Å; M192-L203 WeakPolarHBondContact SD-CD2 3.42Å; Q199-L203 PolarHBondContact O-N 3.48Å; R200-L203 PolarHBondContact O-N 3.02Å; E201-L203 PolarHBondContact O-N 3.47Å; L203-H206 PolarHBondContact O-N 2.83Å; L203-R207 HydrophobicContact CD1-CG 4.25Å; L203-R207 HydrophobicContact CG-CG 4.37Å; L203-R207 WeakPolarHBondContact O-CB 3.21Å; L203-R207 WeakPolarHBondContact O-CG 3.28Å; L203-R207 PolarHBondContact O-N 2.92Å; L203-M533 HydrophobicContact CB-CE 4.29Å; L203-M533 HydrophobicContact CD2-CE 3.9Å; L203-M533 HydrophobicContact CD2-SD 4.18Å; L203-M533 HydrophobicContact CG-CE 4.33Å; L203-M533 HydrophobicContact CG-SD 4.3Å
204	I	89.6	Confident	81.2	Confident	16 Å²	16	83.9 Å²	83.9	8%	0.082	43%	0.433	C	S	.	.	H	α-helix	trans	-62.5	-49.7	174.8	-65.9	163.3	0	0	0	110.2	R200 E201 Y202 H206 R207 L208 F526 I529 V530 M533	R200-I204 HydrophobicContact CG-CD1 3.93Å; R200-I204 WeakPolarHBondContact O-CG1 3.44Å; R200-I204 PolarHBondContact O-N 2.95Å; E201-I204 PolarHBondContact O-N 3.41Å; Y202-I204 VanDerWaalsContact C-N 3.33Å; Y202-I204 PolarHBondContact O-N 3.13Å; I204-H206 VanDerWaalsContact C-N 3.34Å; I204-H206 PolarHBondContact O-N 2.91Å; I204-R207 PolarHBondContact O-N 2.81Å; I204-L208 VanDerWaalsContact O-CB 3.28Å; I204-L208 WeakPolarHBondContact O-CB 3.3Å; I204-L208 PolarHBondContact O-N 2.82Å; I204-F526 HydrophobicContact CG2-CD2 3.75Å; I204-F526 HydrophobicContact CG2-CE2 3.51Å; I204-F526 HydrophobicContact CG2-CZ 4.47Å; I204-I529 HydrophobicContact CG1-CG2 4.36Å; I204-I529 HydrophobicContact CG2-CG2 4.24Å; I204-V530 HydrophobicContact CD1-CG2 4.08Å; I204-M533 HydrophobicContact CD1-CE 4.48Å; I204-M533 HydrophobicContact CD1-SD 4.48Å; I204-M533 HydrophobicContact CG1-CE 3.96Å; I204-M533 HydrophobicContact CG1-SD 3.54Å; I204-M533 VanDerWaalsContact CG1-SD 3.54Å
205	K	87.9	Confident	83.3	Confident	132 Å²	132	82.2 Å²	82.2	57%	0.574	42%	0.42	S	S	*	.	H	α-helix	trans	-57.6	-44.7	176.9	-73.7	175.7	-178.2	168.9	0	112	E201 Y202 L208 G209	E201-K205 HydrophobicContact CG-CD 4.46Å; E201-K205 WeakPolarHBondContact O-CG 3.32Å; E201-K205 PolarHBondContact O-N 3Å; E201-K205 WeakPolarHBondContact OE1-CE 3.47Å; E201-K205 IonicContact OE1-NZ 2.73Å; E201-K205 PolarHBondContact OE1-NZ 3.09Å; Y202-K205 PolarHBondContact O-N 2.9Å; K205-L208 PolarHBondContact O-N 2.99Å; K205-G209 PolarHBondContact O-N 2.8Å
206	H	89.7	Confident	85.5	Confident	80 Å²	80	77 Å²	77	37%	0.37	38%	0.383	S	S	.	.	H	α-helix	trans	-65.2	-43.1	177.6	168.8	-116.6	0	0	0	112.8	Y202 L203 I204 G209 K210	Y202-H206 WeakPolarHBondContact O-CB 3.32Å; Y202-H206 PolarHBondContact O-N 3.39Å; L203-H206 PolarHBondContact O-N 2.83Å; I204-H206 VanDerWaalsContact C-N 3.34Å; I204-H206 PolarHBondContact O-N 2.91Å; H206-G209 PolarHBondContact O-N 3.48Å; H206-K210 VanDerWaalsContact NE2-CE 3.26Å; H206-K210 WeakPolarHBondContact NE2-CE 3.36Å; H206-K210 PolarHBondContact O-N 2.69Å; H206-K210 VanDerWaalsContact O-N 3.14Å
207	R	91.8	Very high	87.3	Confident	56 Å²	56	73.9 Å²	73.9	21%	0.211	37%	0.37	C	S	.	.	H	α-helix	trans	-66.1	-38.1	175	-74.9	-179.4	178	-159.8	0.9	112	L203 I204 K210 K211 I529	L203-R207 HydrophobicContact CD1-CG 4.25Å; L203-R207 HydrophobicContact CG-CG 4.37Å; L203-R207 WeakPolarHBondContact O-CB 3.21Å; L203-R207 WeakPolarHBondContact O-CG 3.28Å; L203-R207 PolarHBondContact O-N 2.92Å; I204-R207 PolarHBondContact O-N 2.81Å; R207-K210 PolarHBondContact O-N 3.25Å; R207-K211 PolarHBondContact O-N 3.07Å; R207-I529 HydrophobicContact CB-CD1 4.06Å; R207-I529 HydrophobicContact CB-CG1 4.29Å; R207-I529 HydrophobicContact CB-CG2 3.9Å
208	L	92.6	Very high	89.1	Confident	23 Å²	23	74.6 Å²	74.6	12%	0.12	36%	0.361	C	S	.	.	H	α-helix	trans	-65.2	-46.1	176.7	-172	66	0	0	0	110.6	I204 K205 K210 K211 E212 Y215 Q522 V525 F526 I529	I204-L208 VanDerWaalsContact O-CB 3.28Å; I204-L208 WeakPolarHBondContact O-CB 3.3Å; I204-L208 PolarHBondContact O-N 2.82Å; K205-L208 PolarHBondContact O-N 2.99Å; L208-K210 VanDerWaalsContact C-N 3.32Å; L208-K210 PolarHBondContact O-N 2.66Å; L208-K211 CarbonylContact O-C 3.57Å; L208-K211 WeakPolarHBondContact O-CA 3.3Å; L208-K211 PolarHBondContact O-N 3.18Å; L208-E212 PolarHBondContact O-N 3.07Å; L208-Y215 HydrophobicContact CD1-CD1 4.27Å; L208-Y215 HydrophobicContact CD1-CE1 3.61Å; L208-Y215 HydrophobicContact CG-CE1 3.93Å; L208-Y215 WeakPolarHBondContact O-CE1 3.48Å; L208-Y215 PolarHBondContact O-OH 2.78Å; L208-Q522 HydrophobicContact CD1-CG 4.34Å; L208-Q522 HydrophobicContact CD2-CG 4.41Å; L208-V525 HydrophobicContact CD1-CB 4.33Å; L208-V525 HydrophobicContact CD1-CG1 3.84Å; L208-F526 HydrophobicContact CD1-CB 4.4Å; L208-I529 HydrophobicContact CB-CD1 3.97Å; L208-I529 HydrophobicContact CD1-CD1 3.99Å
209	G	90.4	Very high	90.7	Very high	45 Å²	45	76 Å²	76	46%	0.464	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-37.5	175	0	0	0	0	0	113.8	K205 H206 K211 E212	K205-G209 PolarHBondContact O-N 2.8Å; H206-G209 PolarHBondContact O-N 3.48Å; G209-K211 PolarHBondContact O-N 3.24Å; G209-E212 WeakPolarHBondContact O-CB 3.22Å; G209-E212 PolarHBondContact O-N 3.27Å
210	K	93.3	Very high	91.8	Very high	157 Å²	157	76.8 Å²	76.8	68%	0.683	37%	0.365	S	S	*	.	H	α-helix	trans	-64.7	-23.5	172.5	-76.2	-172.9	172.8	-179	0	113.8	H206 R207 L208	H206-K210 VanDerWaalsContact NE2-CE 3.26Å; H206-K210 WeakPolarHBondContact NE2-CE 3.36Å; H206-K210 PolarHBondContact O-N 2.69Å; H206-K210 VanDerWaalsContact O-N 3.14Å; R207-K210 PolarHBondContact O-N 3.25Å; L208-K210 VanDerWaalsContact C-N 3.32Å; L208-K210 PolarHBondContact O-N 2.66Å
211	K	94.1	Very high	92.7	Very high	74 Å²	74	74.8 Å²	74.8	32%	0.322	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	16.4	178.5	-66.9	174.4	136.9	-70.1	0	112.6	R207 L208 G209 K213 E214 Y215 V525 I529	R207-K211 PolarHBondContact O-N 3.07Å; L208-K211 CarbonylContact O-C 3.57Å; L208-K211 WeakPolarHBondContact O-CA 3.3Å; L208-K211 PolarHBondContact O-N 3.18Å; G209-K211 PolarHBondContact O-N 3.24Å; K211-K213 PolarHBondContact O-N 2.89Å; K211-K213 VanDerWaalsContact O-N 3.09Å; K211-E214 HydrophobicContact CB-CG 4.49Å; K211-E214 WeakPolarHBondContact CG-OE1 3.46Å; K211-E214 IonicContact NZ-OE1 3.49Å; K211-E214 PolarHBondContact NZ-OE1 2.74Å; K211-E214 IonicContact NZ-OE2 2.83Å; K211-E214 PolarHBondContact NZ-OE2 3.06Å; K211-E214 WeakPolarHBondContact O-CB 3.44Å; K211-E214 PolarHBondContact O-N 3.08Å; K211-Y215 WeakPolarHBondContact O-CD1 3.49Å; K211-Y215 WeakPolarHBondContact O-CE1 3.33Å; K211-V525 HydrophobicContact CB-CG1 3.82Å; K211-V525 HydrophobicContact CD-CG1 3.87Å; K211-V525 HydrophobicContact CG-CG1 4.48Å; K211-I529 HydrophobicContact CD-CD1 3.96Å; K211-I529 HydrophobicContact CD-CG1 4.11Å
212	E	92.9	Very high	93.5	Very high	53 Å²	53	71.2 Å²	71.2	25%	0.248	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-48.9	-41.8	-178.6	-173.7	-177.5	-139.3	0	0	112.7	L208 G209 E214 Y215 V216 K515	L208-E212 PolarHBondContact O-N 3.07Å; G209-E212 WeakPolarHBondContact O-CB 3.22Å; G209-E212 PolarHBondContact O-N 3.27Å; E212-E214 PolarHBondContact O-N 2.97Å; E212-E214 VanDerWaalsContact O-N 3.12Å; E212-Y215 PolarHBondContact O-N 3.41Å; E212-Y215 VanDerWaalsContact O-N 3.1Å; E212-V216 HydrophobicContact CG-CB 3.94Å; E212-V216 HydrophobicContact CG-CG2 3.46Å; E212-V216 VanDerWaalsContact CG-CG2 3.46Å; E212-V216 WeakPolarHBondContact O-CB 3.36Å; E212-V216 PolarHBondContact O-N 2.96Å; E212-K515 VanDerWaalsContact CD-NZ 3.35Å; E212-K515 WeakPolarHBondContact OE1-CD 3.26Å; E212-K515 IonicContact OE1-NZ 2.8Å; E212-K515 PolarHBondContact OE1-NZ 2.9Å; E212-K515 VanDerWaalsContact OE1-NZ 3.17Å; E212-K515 IonicContact OE2-NZ 3.52Å; E212-K515 PolarHBondContact OE2-NZ 3.45Å
213	K	94.3	Very high	94.1	Very high	198 Å²	198	63.6 Å²	63.6	86%	0.861	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-61.9	-17.7	179.5	-61.4	-177.9	-179.9	-179.1	0	114.7	K211	K211-K213 PolarHBondContact O-N 2.89Å; K211-K213 VanDerWaalsContact O-N 3.09Å
214	E	95.8	Very high	94.7	Very high	90 Å²	90	62.9 Å²	62.9	42%	0.421	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-81.1	-18	178.3	-65.3	170.8	-146.7	0	0	112.2	K211 E212 R521 V525	K211-E214 HydrophobicContact CB-CG 4.49Å; K211-E214 WeakPolarHBondContact CG-OE1 3.46Å; K211-E214 IonicContact NZ-OE1 3.49Å; K211-E214 PolarHBondContact NZ-OE1 2.74Å; K211-E214 IonicContact NZ-OE2 2.83Å; K211-E214 PolarHBondContact NZ-OE2 3.06Å; K211-E214 WeakPolarHBondContact O-CB 3.44Å; K211-E214 PolarHBondContact O-N 3.08Å; E212-E214 PolarHBondContact O-N 2.97Å; E212-E214 VanDerWaalsContact O-N 3.12Å; E214-R521 WeakPolarHBondContact O-CD 3.14Å; E214-V525 HydrophobicContact CB-CG2 3.88Å
215	Y	95.6	Very high	95.1	Very high	11 Å²	11	62.1 Å²	62.1	4%	0.043	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	3.1	-174.7	65.2	-100	0	0	0	115.3	L208 K211 E212 V517 D518 Q522 V525	L208-Y215 HydrophobicContact CD1-CD1 4.27Å; L208-Y215 HydrophobicContact CD1-CE1 3.61Å; L208-Y215 HydrophobicContact CG-CE1 3.93Å; L208-Y215 WeakPolarHBondContact O-CE1 3.48Å; L208-Y215 PolarHBondContact O-OH 2.78Å; K211-Y215 WeakPolarHBondContact O-CD1 3.49Å; K211-Y215 WeakPolarHBondContact O-CE1 3.33Å; E212-Y215 PolarHBondContact O-N 3.41Å; E212-Y215 VanDerWaalsContact O-N 3.1Å; Y215-V517 HydrophobicContact CD2-CG1 4.09Å; Y215-V517 HydrophobicContact CD2-CG2 4.42Å; Y215-V517 HydrophobicContact CE2-CG2 4.32Å; Y215-D518 PolarHBondContact O-N 2.86Å; Y215-Q522 VanDerWaalsContact CB-N 3.34Å; Y215-Q522 HydrophobicContact CD1-CB 4.47Å; Y215-Q522 HydrophobicContact CD1-CG 4.34Å; Y215-Q522 HydrophobicContact CD2-CB 3.75Å; Y215-Q522 HydrophobicContact CD2-CG 3.76Å; Y215-Q522 HydrophobicContact CE1-CG 4.45Å; Y215-Q522 HydrophobicContact CE2-CB 4.41Å; Y215-Q522 HydrophobicContact CE2-CG 3.91Å; Y215-Q522 HydrophobicContact CG-CB 3.8Å; Y215-Q522 HydrophobicContact CG-CG 4.01Å; Y215-V525 HydrophobicContact CD1-CB 4.31Å; Y215-V525 HydrophobicContact CD1-CG1 4.27Å; Y215-V525 HydrophobicContact CD1-CG2 4.36Å
216	V	96.4	Very high	95.7	Very high	19 Å²	19	55.9 Å²	55.9	12%	0.115	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.8	176.2	172	0	0	0	0	110.8	E212 K515 V516 V517	E212-V216 HydrophobicContact CG-CB 3.94Å; E212-V216 HydrophobicContact CG-CG2 3.46Å; E212-V216 VanDerWaalsContact CG-CG2 3.46Å; E212-V216 WeakPolarHBondContact O-CB 3.36Å; E212-V216 PolarHBondContact O-N 2.96Å; V216-K515 HydrophobicContact CG1-CB 3.59Å; V216-K515 HydrophobicContact CG1-CD 4.32Å; V216-K515 HydrophobicContact CG1-CG 3.92Å; V216-V516 WeakPolarHBondContact CA-O 3.45Å; V216-V517 HydrophobicContact CG2-CG2 3.91Å
217	D	96.4	Very high	96.1	Very high	59 Å²	59	52 Å²	52	32%	0.316	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	148.1	168.6	-54.1	-33.8	0	0	0	110.2	Q219 V516 R521	D217-Q219 HydrophobicContact CB-CG 4.33Å; D217-V516 PolarHBondContact N-O 3.32Å; D217-V516 PolarHBondContact O-N 2.76Å; D217-R521 IonicContact OD1-CZ 2.67Å; D217-R521 IonicContact OD1-NH1 3.68Å; D217-R521 PolarHBondContact OD1-NH1 3.34Å; D217-R521 IonicContact OD1-NH2 3.55Å; D217-R521 PolarHBondContact OD1-NH2 2.91Å; D217-R521 IonicContact OD2-CZ 3.87Å; D217-R521 IonicContact OD2-NH1 2.71Å; D217-R521 IonicContact OD2-NH2 3.67Å; D217-R521 PolarHBondContact OD2-NH2 3.24Å
218	I	97.1	Very high	96.4	Very high	102 Å²	102	49.4 Å²	49.4	52%	0.523	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	102.9	169.8	-59.1	177.7	0	0	0	107.7	V514	I218-V514 WeakPolarHBondContact CA-O 2.8Å
219	Q	97.9	Very high	96.7	Very high	80 Å²	80	48.3 Å²	48.3	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.3	179	-63.2	-173.7	10.4	0	0	110.5	D217 F221 V514 V516	D217-Q219 HydrophobicContact CB-CG 4.33Å; Q219-F221 HydrophobicContact CB-CE2 3.78Å; Q219-F221 HydrophobicContact CB-CZ 4.37Å; Q219-F221 VanDerWaalsContact O-CD2 3.26Å; Q219-F221 WeakPolarHBondContact O-CD2 3.36Å; Q219-V514 PolarHBondContact N-O 3.39Å; Q219-V514 PolarHBondContact O-N 2.97Å; Q219-V516 HydrophobicContact CB-CG2 3.86Å; Q219-V516 HydrophobicContact CG-CB 4.08Å; Q219-V516 HydrophobicContact CG-CG2 3.94Å
220	P	98.1	Very high	97.1	Very high	79 Å²	79	46.1 Å²	46.1	51%	0.513	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128	-179.1	31	-32.9	0	0	0	112	K511 I512	P220-K511 HydrophobicContact CB-CD 4.2Å; P220-K511 VanDerWaalsContact CB-CE 3.43Å; P220-K511 HydrophobicContact CB-CG 3.78Å; P220-I512 WeakPolarHBondContact CA-O 3.35Å
221	F	98.6	Very high	97.3	Very high	16 Å²	16	40.4 Å²	40.4	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.2	173.8	-66.5	-94.4	0	0	0	111.3	Q219 F223 D251 H313 F345 H346 K511 I512 V514 V516	Q219-F221 HydrophobicContact CB-CE2 3.78Å; Q219-F221 HydrophobicContact CB-CZ 4.37Å; Q219-F221 VanDerWaalsContact O-CD2 3.26Å; Q219-F221 WeakPolarHBondContact O-CD2 3.36Å; F221-F223 HydrophobicContact CB-CD2 4.47Å; F221-F223 HydrophobicContact CB-CE2 3.96Å; F221-D251 HydrophobicContact CB-CB 4.34Å; F221-D251 HydrophobicContact CD1-CB 4.25Å; F221-H313 AromaticContact CD1-NE2 3.8Å; F221-H313 AromaticContact CE1-CE1 3.56Å; F221-H313 AromaticContact CE1-NE2 3.79Å; F221-F345 HydrophobicContact CB-CE1 4.13Å; F221-F345 AromaticContact CD1-CE1 3.74Å; F221-F345 HydrophobicContact CD1-CE1 3.74Å; F221-F345 AromaticContact CD1-CZ 3.76Å; F221-F345 HydrophobicContact CD1-CZ 3.76Å; F221-F345 AromaticContact CD2-CE1 3.92Å; F221-F345 HydrophobicContact CD2-CE1 3.92Å; F221-F345 HydrophobicContact CD2-CZ 4.49Å; F221-F345 HydrophobicContact CE1-CE1 4.05Å; F221-F345 AromaticContact CE1-CZ 3.7Å; F221-F345 HydrophobicContact CE1-CZ 3.7Å; F221-F345 HydrophobicContact CE2-CE1 4.21Å; F221-F345 HydrophobicContact CE2-CZ 4.43Å; F221-F345 AromaticContact CG-CE1 3.66Å; F221-F345 HydrophobicContact CG-CE1 3.66Å; F221-F345 HydrophobicContact CG-CZ 4.16Å; F221-F345 HydrophobicContact CZ-CE1 4.27Å; F221-F345 HydrophobicContact CZ-CZ 4.05Å; F221-H346 AromaticContact CZ-NE2 3.92Å; F221-K511 CarbonylContact O-C 3.56Å; F221-K511 WeakPolarHBondContact O-CA 3.43Å; F221-I512 PolarHBondContact N-O 3.37Å; F221-I512 PolarHBondContact O-N 3.3Å; F221-V514 HydrophobicContact CB-CG2 4.45Å; F221-V514 HydrophobicContact CD2-CB 3.59Å; F221-V514 HydrophobicContact CD2-CG1 4.4Å; F221-V514 HydrophobicContact CD2-CG2 3.62Å; F221-V514 HydrophobicContact CE2-CB 3.77Å; F221-V514 HydrophobicContact CE2-CG1 4.23Å; F221-V514 HydrophobicContact CE2-CG2 4.27Å; F221-V514 HydrophobicContact CG-CG2 4.38Å; F221-V516 HydrophobicContact CE2-CG2 3.85Å; F221-V516 HydrophobicContact CZ-CG2 4.11Å
222	S	98.4	Very high	97.4	Very high	30 Å²	30	37.5 Å²	37.5	21%	0.21	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.7	-176.9	50.5	0	0	0	0	112	P250 D251 I252 F510	S222-P250 VanDerWaalsContact OG-CA 3.26Å; S222-P250 WeakPolarHBondContact OG-CA 3.38Å; S222-D251 PolarHBondContact N-OD2 3.34Å; S222-D251 WeakPolarHBondContact O-CA 3.39Å; S222-D251 WeakPolarHBondContact O-CB 3.37Å; S222-D251 PolarHBondContact O-N 3.23Å; S222-D251 PolarHBondContact OG-N 3.23Å; S222-D251 PolarHBondContact OG-OD2 3.4Å; S222-I252 PolarHBondContact O-N 2.88Å; S222-I252 VanDerWaalsContact O-N 3.08Å; S222-F510 CarbonylContact C-O 3.6Å; S222-F510 WeakPolarHBondContact CA-O 3.24Å
223	F	98.8	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.9	-179.2	-74.1	-113	0	0	0	109.5	F221 I225 I252 F345 F350 F510 I512	F221-F223 HydrophobicContact CB-CD2 4.47Å; F221-F223 HydrophobicContact CB-CE2 3.96Å; F223-I225 HydrophobicContact CB-CD1 4.49Å; F223-I252 WeakPolarHBondContact CA-O 3.43Å; F223-I252 HydrophobicContact CD1-CB 3.79Å; F223-I252 HydrophobicContact CD1-CD1 4.22Å; F223-I252 HydrophobicContact CD1-CG2 3.76Å; F223-I252 HydrophobicContact CE1-CB 3.96Å; F223-I252 HydrophobicContact CE1-CD1 3.47Å; F223-I252 VanDerWaalsContact CE1-CD1 3.47Å; F223-I252 HydrophobicContact CE1-CG1 4.27Å; F223-I252 HydrophobicContact CE1-CG2 4Å; F223-I252 HydrophobicContact CE2-CD1 4.47Å; F223-I252 HydrophobicContact CG-CB 4.28Å; F223-I252 HydrophobicContact CZ-CD1 3.62Å; F223-F345 HydrophobicContact CZ-CD1 4.24Å; F223-F350 AromaticContact CE1-CD1 3.95Å; F223-F350 HydrophobicContact CE1-CD1 3.95Å; F223-F350 AromaticContact CE1-CE1 3.64Å; F223-F350 HydrophobicContact CE1-CE1 3.64Å; F223-F350 HydrophobicContact CE1-CZ 4.06Å; F223-F350 HydrophobicContact CE2-CE1 4.22Å; F223-F350 HydrophobicContact CE2-CZ 4.13Å; F223-F350 HydrophobicContact CZ-CD1 4.17Å; F223-F350 AromaticContact CZ-CE1 3.46Å; F223-F350 HydrophobicContact CZ-CE1 3.46Å; F223-F350 VanDerWaalsContact CZ-CE1 3.46Å; F223-F350 HydrophobicContact CZ-CE2 4.1Å; F223-F350 AromaticContact CZ-CZ 3.42Å; F223-F350 HydrophobicContact CZ-CZ 3.42Å; F223-F350 VanDerWaalsContact CZ-CZ 3.42Å; F223-F510 HydrophobicContact CB-CB 4.3Å; F223-F510 PolarHBondContact N-O 3.07Å; F223-F510 PolarHBondContact O-N 3.32Å; F223-I512 HydrophobicContact CB-CD1 4.09Å; F223-I512 HydrophobicContact CD1-CD1 4.2Å; F223-I512 HydrophobicContact CD2-CB 3.94Å; F223-I512 HydrophobicContact CD2-CD1 3.67Å; F223-I512 HydrophobicContact CD2-CG1 3.8Å; F223-I512 HydrophobicContact CE2-CB 3.88Å; F223-I512 HydrophobicContact CE2-CD1 4.06Å; F223-I512 HydrophobicContact CE2-CG1 4.21Å; F223-I512 HydrophobicContact CG-CD1 3.75Å; F223-I512 HydrophobicContact CG-CG1 4.32Å; F223-I512 HydrophobicContact CZ-CD1 4.47Å
224	F	98.9	Very high	97.6	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.1	166.3	179.1	-72.6	0	0	0	108.9	W242 L243 P250 I252 Y253 A254 L509	F224-W242 WeakPolarHBondContact CE2-O 3.25Å; F224-W242 WeakPolarHBondContact CZ-O 3.41Å; F224-L243 HydrophobicContact CE1-CD2 3.61Å; F224-L243 HydrophobicContact CZ-CD2 3.8Å; F224-P250 HydrophobicContact CB-CB 3.94Å; F224-P250 HydrophobicContact CB-CG 3.69Å; F224-I252 PolarHBondContact N-O 3.5Å; F224-Y253 HydrophobicContact CB-CD1 3.61Å; F224-Y253 HydrophobicContact CB-CE1 3.8Å; F224-Y253 HydrophobicContact CB-CG 4.28Å; F224-Y253 AromaticContact CD1-CD1 3.38Å; F224-Y253 HydrophobicContact CD1-CD1 3.38Å; F224-Y253 AromaticContact CD1-CE1 3.73Å; F224-Y253 HydrophobicContact CD1-CE1 3.73Å; F224-Y253 HydrophobicContact CD2-CD1 4.39Å; F224-Y253 AromaticContact CD2-CE1 3.95Å; F224-Y253 HydrophobicContact CD2-CE1 3.95Å; F224-Y253 HydrophobicContact CE1-CD1 4.11Å; F224-Y253 HydrophobicContact CE1-CE1 4.25Å; F224-Y253 HydrophobicContact CE2-CE1 4.43Å; F224-Y253 AromaticContact CG-CD1 3.55Å; F224-Y253 HydrophobicContact CG-CD1 3.55Å; F224-Y253 AromaticContact CG-CE1 3.57Å; F224-Y253 HydrophobicContact CG-CE1 3.57Å; F224-Y253 CarbonylContact O-C 3.55Å; F224-Y253 WeakPolarHBondContact O-CA 3.49Å; F224-A254 PolarHBondContact O-N 3.37Å; F224-L509 HydrophobicContact CB-CD1 4.47Å
225	I	98.9	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.6	177.8	-53.2	-61.8	0	0	0	107.4	F223 A254 I352 I397 L399 I480 S507 S508 F510	F223-I225 HydrophobicContact CB-CD1 4.49Å; I225-A254 CarbonylContact C-O 3.58Å; I225-A254 WeakPolarHBondContact CA-O 3.27Å; I225-A254 HydrophobicContact CD1-CB 3.87Å; I225-I352 HydrophobicContact CD1-CD1 4.47Å; I225-I397 HydrophobicContact CD1-CD1 3.71Å; I225-I397 HydrophobicContact CD1-CG2 4.16Å; I225-I397 HydrophobicContact CG1-CD1 4.01Å; I225-I397 HydrophobicContact CG1-CG2 4.04Å; I225-I397 HydrophobicContact CG2-CG2 3.83Å; I225-L399 HydrophobicContact CG2-CB 4.34Å; I225-L399 HydrophobicContact CG2-CD2 3.34Å; I225-L399 HydrophobicContact CG2-CG 4.44Å; I225-I480 HydrophobicContact CB-CD1 4.45Å; I225-I480 HydrophobicContact CB-CG2 4.29Å; I225-I480 HydrophobicContact CG2-CD1 4.14Å; I225-I480 HydrophobicContact CG2-CG1 4.47Å; I225-I480 HydrophobicContact CG2-CG2 3.73Å; I225-I480 WeakPolarHBondContact O-CD1 3.08Å; I225-S507 CarbonylContact O-C 3.54Å; I225-S507 WeakPolarHBondContact O-CA 3.34Å; I225-S508 PolarHBondContact N-O 3.04Å; I225-S508 PolarHBondContact O-N 3.09Å; I225-F510 HydrophobicContact CB-CD2 4.47Å; I225-F510 HydrophobicContact CB-CE2 4.11Å; I225-F510 HydrophobicContact CG1-CD2 3.68Å; I225-F510 HydrophobicContact CG1-CE2 3.65Å
226	G	98.9	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.8	178.4	0	0	0	0	0	112.2	A254 G256 V506	G226-A254 PolarHBondContact N-O 3Å; G226-G256 PolarHBondContact O-N 3.21Å; G226-V506 WeakPolarHBondContact CA-O 3.32Å
227	T	98.9	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.9	167.6	-174.3	0	0	0	0	111.1	G256 Q258 G400 D478 I480 P505 V506	T227-G256 CarbonylContact C-O 3.3Å; T227-G256 VanDerWaalsContact CA-O 3.31Å; T227-G256 WeakPolarHBondContact CA-O 3.34Å; T227-Q258 PolarHBondContact OG1-NE2 2.86Å; T227-Q258 PolarHBondContact OG1-OE1 2.88Å; T227-G400 VanDerWaalsContact OG1-CA 3.27Å; T227-G400 WeakPolarHBondContact OG1-CA 3.39Å; T227-D478 HydrophobicContact CG2-CB 4.19Å; T227-I480 HydrophobicContact CG2-CD1 4.46Å; T227-I480 HydrophobicContact CG2-CG1 4.09Å; T227-P505 WeakPolarHBondContact O-CA 3.16Å; T227-V506 HydrophobicContact CG2-CB 3.93Å; T227-V506 PolarHBondContact N-O 2.84Å; T227-V506 PolarHBondContact O-N 3.1Å
228	W	98.9	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	120.3	172.7	-163.6	13.2	0	0	0	113	V230 L239 W242 G256 F257 Q258 W278 M498 T500 H503 P505	W228-V230 HydrophobicContact CB-CG1 4.36Å; W228-V230 HydrophobicContact CD2-CG1 3.8Å; W228-V230 HydrophobicContact CE3-CG1 3.89Å; W228-V230 HydrophobicContact CG-CG1 4Å; W228-V230 PolarHBondContact O-N 3.38Å; W228-L239 HydrophobicContact CZ3-CD2 3.89Å; W228-W242 HydrophobicContact CB-CH2 3.7Å; W228-W242 HydrophobicContact CB-CZ2 4.07Å; W228-W242 HydrophobicContact CB-CZ3 4.32Å; W228-W242 HydrophobicContact CE3-CE3 4.03Å; W228-W242 HydrophobicContact CE3-CH2 4.25Å; W228-W242 AromaticContact CE3-CZ3 3.68Å; W228-W242 HydrophobicContact CE3-CZ3 3.68Å; W228-W242 HydrophobicContact CZ3-CE3 4.45Å; W228-W242 HydrophobicContact CZ3-CZ3 4.4Å; W228-G256 PolarHBondContact N-O 3.43Å; W228-F257 HydrophobicContact CB-CD1 4.33Å; W228-F257 HydrophobicContact CE3-CE1 4.26Å; W228-F257 VanDerWaalsContact O-CA 3.29Å; W228-F257 WeakPolarHBondContact O-CA 3.4Å; W228-Q258 PolarHBondContact O-N 3.08Å; W228-Q258 VanDerWaalsContact O-N 3.07Å; W228-Q258 PolarHBondContact O-OE1 2.85Å; W228-W278 HydrophobicContact CE3-CH2 4.08Å; W228-W278 HydrophobicContact CE3-CZ3 4.05Å; W228-W278 HydrophobicContact CH2-CH2 4.28Å; W228-W278 AromaticContact CZ3-CH2 3.66Å; W228-W278 HydrophobicContact CZ3-CH2 3.66Å; W228-W278 AromaticContact CZ3-CZ3 3.76Å; W228-W278 HydrophobicContact CZ3-CZ3 3.76Å; W228-M498 HydrophobicContact CH2-CB 4.08Å; W228-M498 HydrophobicContact CH2-CE 3.75Å; W228-M498 HydrophobicContact CZ2-CB 4.01Å; W228-M498 HydrophobicContact CZ3-CE 4.02Å; W228-T500 VanDerWaalsContact CH2-OG1 3.31Å; W228-T500 WeakPolarHBondContact CH2-OG1 3.35Å; W228-H503 PolarHBondContact NE1-O 2.81Å; W228-P505 HydrophobicContact CB-CB 3.94Å; W228-P505 HydrophobicContact CD2-CB 3.84Å; W228-P505 HydrophobicContact CD2-CG 3.68Å; W228-P505 HydrophobicContact CE3-CB 4.34Å; W228-P505 HydrophobicContact CE3-CG 4.11Å; W228-P505 HydrophobicContact CG-CB 3.66Å; W228-P505 HydrophobicContact CG-CG 3.98Å; W228-P505 HydrophobicContact CH2-CG 4.42Å; W228-P505 HydrophobicContact CZ2-CG 4.03Å; W228-P505 HydrophobicContact CZ3-CG 4.47Å
229	N	98.8	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118	163.5	-175.9	-25.1	0	0	0	108.6	N231 Q258 E259 D401 S501 H503	N229-N231 PolarHBondContact OD1-N 3.04Å; N229-N231 VanDerWaalsContact OD1-N 3.08Å; N229-Q258 WeakPolarHBondContact CA-O 3.35Å; N229-Q258 HydrophobicContact CB-CB 4.1Å; N229-Q258 PolarHBondContact OD1-O 3.31Å; N229-E259 PolarHBondContact ND2-OE1 3.4Å; N229-E259 VanDerWaalsContact OD1-CB 3.32Å; N229-E259 WeakPolarHBondContact OD1-CB 3.25Å; N229-E259 WeakPolarHBondContact OD1-CG 3.4Å; N229-D401 HydrophobicContact CB-CB 4.38Å; N229-D401 PolarHBondContact ND2-OD2 2.93Å; N229-S501 VanDerWaalsContact O-CB 3.31Å; N229-S501 WeakPolarHBondContact O-CB 3.19Å; N229-S501 PolarHBondContact O-OG 2.91Å; N229-H503 HydrophobicContact CB-CB 4.06Å; N229-H503 PolarHBondContact ND2-NE2 2.72Å
230	V	98.4	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.168	C	C	.	.			trans	-100.8	3.2	-173.9	-61.5	0	0	0	0	114	W228 G232 Q233 F257 Q258 L260 W278	W228-V230 HydrophobicContact CB-CG1 4.36Å; W228-V230 HydrophobicContact CD2-CG1 3.8Å; W228-V230 HydrophobicContact CE3-CG1 3.89Å; W228-V230 HydrophobicContact CG-CG1 4Å; W228-V230 PolarHBondContact O-N 3.38Å; V230-G232 VanDerWaalsContact C-N 3.3Å; V230-G232 PolarHBondContact O-N 2.83Å; V230-Q233 VanDerWaalsContact O-CB 3.25Å; V230-Q233 WeakPolarHBondContact O-CB 3.37Å; V230-Q233 VanDerWaalsContact O-CG 3.29Å; V230-Q233 WeakPolarHBondContact O-CG 3.45Å; V230-Q233 PolarHBondContact O-N 2.92Å; V230-F257 HydrophobicContact CG1-CD1 3.72Å; V230-F257 HydrophobicContact CG1-CE1 4.21Å; V230-Q258 PolarHBondContact N-O 3.27Å; V230-L260 HydrophobicContact CG2-CD1 4.28Å; V230-W278 HydrophobicContact CB-CH2 4.24Å; V230-W278 HydrophobicContact CB-CZ2 3.74Å; V230-W278 HydrophobicContact CG1-CH2 3.6Å; V230-W278 HydrophobicContact CG1-CZ2 3.58Å; V230-W278 HydrophobicContact CG1-CZ3 4.18Å; V230-W278 HydrophobicContact CG2-CZ2 4.11Å
231	N	97.4	Very high	97.3	Very high	37 Å²	37	26.4 Å²	26.4	20%	0.198	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	49.1	172.3	-173.2	0.9	0	0	0	113.8	N229 Q233 D502	N229-N231 PolarHBondContact OD1-N 3.04Å; N229-N231 VanDerWaalsContact OD1-N 3.08Å; N231-Q233 WeakPolarHBondContact O-CG 3.33Å; N231-Q233 PolarHBondContact O-N 2.84Å; N231-Q233 PolarHBondContact O-NE2 3.47Å; N231-D502 VanDerWaalsContact CB-OD1 3.24Å; N231-D502 WeakPolarHBondContact CB-OD1 3.36Å; N231-D502 PolarHBondContact ND2-OD1 3.31Å; N231-D502 PolarHBondContact ND2-OD2 3.27Å
232	G	96	Very high	97.3	Very high	12 Å²	12	25.7 Å²	25.7	12%	0.124	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	5.2	-179.6	0	0	0	0	0	115.8	V230 E259 K274	V230-G232 VanDerWaalsContact C-N 3.3Å; V230-G232 PolarHBondContact O-N 2.83Å; G232-E259 WeakPolarHBondContact CA-O 3.38Å; G232-E259 PolarHBondContact N-O 3.4Å; G232-K274 WeakPolarHBondContact O-CE 3.46Å; G232-K274 PolarHBondContact O-NZ 2.97Å
233	Q	96.3	Very high	97.3	Very high	71 Å²	71	24.3 Å²	24.3	33%	0.332	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-79	153.3	-175.9	-55.3	-53.5	-58	0	0	112.2	V230 N231 W278 T500	V230-Q233 VanDerWaalsContact O-CB 3.25Å; V230-Q233 WeakPolarHBondContact O-CB 3.37Å; V230-Q233 VanDerWaalsContact O-CG 3.29Å; V230-Q233 WeakPolarHBondContact O-CG 3.45Å; V230-Q233 PolarHBondContact O-N 2.92Å; N231-Q233 WeakPolarHBondContact O-CG 3.33Å; N231-Q233 PolarHBondContact O-N 2.84Å; N231-Q233 PolarHBondContact O-NE2 3.47Å; Q233-W278 WeakPolarHBondContact O-CZ2 3.48Å; Q233-W278 PolarHBondContact O-NE1 2.91Å; Q233-T500 HydrophobicContact CB-CG2 3.93Å
234	S	95.8	Very high	97.1	Very high	61 Å²	61	26 Å²	26	43%	0.427	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-85.5	157.8	163.9	-61.5	0	0	0	0	110.2	D236 T500	S234-D236 PolarHBondContact O-N 2.89Å; S234-T500 WeakPolarHBondContact O-CG2 3.38Å
235	P	95.7	Very high	96.9	Very high	31 Å²	31	28.4 Å²	28.4	20%	0.201	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-58	126.7	171.5	-16.8	28.3	0	0	0	110.6	V277 W278 A281	P235-V277 HydrophobicContact CG-CG1 4.13Å; P235-W278 HydrophobicContact CB-CH2 4.27Å; P235-W278 HydrophobicContact CB-CZ2 4.48Å; P235-W278 HydrophobicContact CB-CZ3 4.29Å; P235-W278 HydrophobicContact CG-CD2 3.61Å; P235-W278 HydrophobicContact CG-CE3 3.73Å; P235-W278 HydrophobicContact CG-CG 4.12Å; P235-W278 HydrophobicContact CG-CH2 4.07Å; P235-W278 HydrophobicContact CG-CZ2 3.97Å; P235-W278 HydrophobicContact CG-CZ3 3.96Å; P235-A281 HydrophobicContact CB-CB 3.94Å; P235-A281 HydrophobicContact CG-CB 3.67Å
236	D	93.8	Very high	96.7	Very high	78 Å²	78	29.3 Å²	29.3	42%	0.417	18%	0.179	S	C	.	.			trans	-107.8	-7.9	178.9	64.6	-8	0	0	0	113.4	S234 K461 T500	S234-D236 PolarHBondContact O-N 2.89Å; D236-K461 IonicContact OD2-NZ 3.23Å; D236-K461 PolarHBondContact OD2-NZ 2.93Å; D236-T500 HydrophobicContact CB-CG2 4.28Å; D236-T500 WeakPolarHBondContact OD1-CB 3.41Å; D236-T500 WeakPolarHBondContact OD1-CG2 3.2Å; D236-T500 PolarHBondContact OD1-OG1 2.91Å; D236-T500 WeakPolarHBondContact OD2-CA 3.37Å
237	S	92.5	Very high	96.3	Very high	57 Å²	57	33.9 Å²	33.9	40%	0.399	21%	0.209	S	C	.	.	S	Bend	trans	-153.4	167.8	-167.1	51.5	0	0	0	0	110.8
238	S	96	Very high	96.1	Very high	56 Å²	56	39.8 Å²	39.8	39%	0.392	24%	0.241	S	C	.	.			trans	-66.6	138.3	173.1	-177.3	0	0	0	0	110.2	E240 P241	S238-E240 VanDerWaalsContact C-N 3.25Å; S238-E240 WeakPolarHBondContact OG-CB 3.42Å; S238-E240 WeakPolarHBondContact OG-CG 3.3Å; S238-E240 PolarHBondContact OG-N 3.35Å; S238-E240 PolarHBondContact OG-OE2 3.06Å; S238-P241 WeakPolarHBondContact O-CD 3.43Å
239	L	98.2	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-87.1	3.4	174.7	-47.8	-175.8	0	0	0	112.1	W228 P241 W242 L243 W278 A281 V282 S285 M498	W228-L239 HydrophobicContact CZ3-CD2 3.89Å; L239-P241 VanDerWaalsContact C-CD 3.44Å; L239-W242 HydrophobicContact CB-CE3 4.5Å; L239-W242 PolarHBondContact O-N 3.34Å; L239-W242 VanDerWaalsContact O-N 3.17Å; L239-L243 HydrophobicContact CB-CD1 3.85Å; L239-L243 HydrophobicContact CB-CG 4.21Å; L239-L243 HydrophobicContact CD1-CD1 4.38Å; L239-L243 WeakPolarHBondContact O-CG 3.26Å; L239-L243 PolarHBondContact O-N 2.86Å; L239-W278 HydrophobicContact CD1-CE3 4.26Å; L239-W278 HydrophobicContact CD1-CZ3 4.05Å; L239-W278 HydrophobicContact CD2-CZ3 4.07Å; L239-A281 HydrophobicContact CD1-CB 4.01Å; L239-A281 HydrophobicContact CG-CB 4.44Å; L239-V282 HydrophobicContact CD1-CG2 3.88Å; L239-S285 PolarHBondContact N-OG 2.86Å; L239-M498 HydrophobicContact CD2-CE 3.67Å
240	E	96.9	Very high	95.9	Very high	54 Å²	54	40.9 Å²	40.9	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-56.5	-38	179.8	-74.1	177.5	145.7	0	0	114.1	S238 W242 L243 C244 R288	S238-E240 VanDerWaalsContact C-N 3.25Å; S238-E240 WeakPolarHBondContact OG-CB 3.42Å; S238-E240 WeakPolarHBondContact OG-CG 3.3Å; S238-E240 PolarHBondContact OG-N 3.35Å; S238-E240 PolarHBondContact OG-OE2 3.06Å; E240-W242 VanDerWaalsContact C-N 3.3Å; E240-W242 PolarHBondContact O-N 2.84Å; E240-L243 PolarHBondContact O-N 3.28Å; E240-C244 HydrophobicContact CB-CB 4.39Å; E240-C244 VanDerWaalsContact O-CA 3.31Å; E240-C244 WeakPolarHBondContact O-CA 3.4Å; E240-C244 WeakPolarHBondContact O-CB 3.26Å; E240-C244 PolarHBondContact O-N 3Å; E240-R288 IonicContact OE1-CZ 2.63Å; E240-R288 VanDerWaalsContact OE1-CZ 3.24Å; E240-R288 IonicContact OE1-NE 3.68Å; E240-R288 PolarHBondContact OE1-NE 2.9Å; E240-R288 IonicContact OE1-NH2 3.93Å; E240-R288 PolarHBondContact OE1-NH2 3.45Å; E240-R288 IonicContact OE2-NH2 4Å; E240-R288 PolarHBondContact OE2-NH2 3.01Å
241	P	97.4	Very high	95.9	Very high	51 Å²	51	41.7 Å²	41.7	33%	0.331	25%	0.252	S	S	.	.	H	α-helix	trans	-59.2	-42.2	175.6	-23	34.1	0	0	0	112.3	S238 L239 C245 E497 M498	S238-P241 WeakPolarHBondContact O-CD 3.43Å; L239-P241 VanDerWaalsContact C-CD 3.44Å; P241-C245 WeakPolarHBondContact O-CB 3.34Å; P241-C245 PolarHBondContact O-SG 2.86Å; P241-C245 VanDerWaalsContact O-SG 3.38Å; P241-E497 HydrophobicContact CB-CG 3.53Å; P241-E497 VanDerWaalsContact CB-OE1 3.31Å; P241-E497 WeakPolarHBondContact CB-OE1 3.47Å; P241-E497 HydrophobicContact CG-CG 4.29Å; P241-M498 HydrophobicContact CB-SD 4.17Å; P241-M498 HydrophobicContact CG-SD 4.2Å
242	W	98.3	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.3	-47.1	176.5	176.6	31.1	0	0	0	113.2	F224 W228 L239 E240 C245 V255 F257 H495 M498 P505 V506	F224-W242 WeakPolarHBondContact CE2-O 3.25Å; F224-W242 WeakPolarHBondContact CZ-O 3.41Å; W228-W242 HydrophobicContact CB-CH2 3.7Å; W228-W242 HydrophobicContact CB-CZ2 4.07Å; W228-W242 HydrophobicContact CB-CZ3 4.32Å; W228-W242 HydrophobicContact CE3-CE3 4.03Å; W228-W242 HydrophobicContact CE3-CH2 4.25Å; W228-W242 AromaticContact CE3-CZ3 3.68Å; W228-W242 HydrophobicContact CE3-CZ3 3.68Å; W228-W242 HydrophobicContact CZ3-CE3 4.45Å; W228-W242 HydrophobicContact CZ3-CZ3 4.4Å; L239-W242 HydrophobicContact CB-CE3 4.5Å; L239-W242 PolarHBondContact O-N 3.34Å; L239-W242 VanDerWaalsContact O-N 3.17Å; E240-W242 VanDerWaalsContact C-N 3.3Å; E240-W242 PolarHBondContact O-N 2.84Å; W242-C245 PolarHBondContact O-SG 2.96Å; W242-V255 HydrophobicContact CH2-CG1 3.36Å; W242-V255 HydrophobicContact CZ2-CG1 3.95Å; W242-V255 HydrophobicContact CZ3-CG1 3.95Å; W242-F257 AromaticContact CH2-CE1 3.85Å; W242-F257 HydrophobicContact CH2-CE1 3.85Å; W242-F257 HydrophobicContact CH2-CZ 4.04Å; W242-F257 AromaticContact CZ3-CE1 3.75Å; W242-F257 HydrophobicContact CZ3-CE1 3.75Å; W242-F257 AromaticContact CZ3-CZ 3.87Å; W242-F257 HydrophobicContact CZ3-CZ 3.87Å; W242-H495 AromaticContact CD1-CD2 3.32Å; W242-H495 AromaticContact CD1-CE1 3.96Å; W242-H495 AromaticContact CD1-CG 3.78Å; W242-H495 AromaticContact CD1-NE2 3.47Å; W242-H495 AromaticContact NE1-CD2 3.94Å; W242-M498 HydrophobicContact CB-CG 4.21Å; W242-P505 HydrophobicContact CD2-CB 3.75Å; W242-P505 HydrophobicContact CD2-CG 4.31Å; W242-P505 HydrophobicContact CE3-CB 4.33Å; W242-P505 HydrophobicContact CG-CB 3.97Å; W242-P505 HydrophobicContact CG-CG 4.31Å; W242-P505 HydrophobicContact CZ2-CB 3.97Å; W242-V506 PolarHBondContact NE1-O 3.3Å
243	L	97.9	Very high	96.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-94.1	-18.8	-167.8	-59.1	-179.9	0	0	0	114.3	F224 L239 E240 Y253 V255 V282 S285 L286	F224-L243 HydrophobicContact CE1-CD2 3.61Å; F224-L243 HydrophobicContact CZ-CD2 3.8Å; L239-L243 HydrophobicContact CB-CD1 3.85Å; L239-L243 HydrophobicContact CB-CG 4.21Å; L239-L243 HydrophobicContact CD1-CD1 4.38Å; L239-L243 WeakPolarHBondContact O-CG 3.26Å; L239-L243 PolarHBondContact O-N 2.86Å; E240-L243 PolarHBondContact O-N 3.28Å; L243-Y253 HydrophobicContact CB-CE1 4.3Å; L243-Y253 VanDerWaalsContact O-CE1 3.29Å; L243-Y253 WeakPolarHBondContact O-CE1 3.31Å; L243-Y253 PolarHBondContact O-OH 2.85Å; L243-V255 HydrophobicContact CD2-CG2 4.12Å; L243-V282 HydrophobicContact CD1-CB 4.38Å; L243-V282 HydrophobicContact CD1-CG1 4.01Å; L243-V282 HydrophobicContact CD1-CG2 4.34Å; L243-S285 WeakPolarHBondContact CB-O 3.48Å; L243-L286 HydrophobicContact CD1-CD2 4.36Å
244	C	95.8	Very high	96.2	Very high	35 Å²	35	36 Å²	36	24%	0.236	22%	0.221	C	C	.	.	S	Bend	trans	-118.1	17.9	-176.7	-64.7	0	0	0	0	114	E240 D246 S285 L286 N287	E240-C244 HydrophobicContact CB-CB 4.39Å; E240-C244 VanDerWaalsContact O-CA 3.31Å; E240-C244 WeakPolarHBondContact O-CA 3.4Å; E240-C244 WeakPolarHBondContact O-CB 3.26Å; E240-C244 PolarHBondContact O-N 3Å; C244-D246 PolarHBondContact O-N 3.41Å; C244-S285 PolarHBondContact SG-O 3.5Å; C244-L286 VanDerWaalsContact SG-C 3.51Å; C244-N287 WeakPolarHBondContact SG-CA 3.33Å; C244-N287 PolarHBondContact SG-N 2.97Å
245	C	93.3	Very high	96.4	Very high	52 Å²	52	33.1 Å²	33.1	35%	0.351	20%	0.201	S	C	.	.			trans	-74.3	2.5	178.7	46.7	0	0	0	0	115.7	P241 W242 R493 H495	P241-C245 WeakPolarHBondContact O-CB 3.34Å; P241-C245 PolarHBondContact O-SG 2.86Å; P241-C245 VanDerWaalsContact O-SG 3.38Å; W242-C245 PolarHBondContact O-SG 2.96Å; C245-R493 PolarHBondContact SG-NH2 2.84Å; C245-H495 PolarHBondContact SG-CE1 2.91Å
246	D	94.5	Very high	96.5	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.102	19%	0.191	C	C	.	.	S	Bend	trans	-107.9	140.5	171.7	-69.5	-55	0	0	0	110.5	C244 D248 R493	C244-D246 PolarHBondContact O-N 3.41Å; D246-D248 VanDerWaalsContact C-N 3.3Å; D246-D248 PolarHBondContact O-N 3.1Å; D246-R493 IonicContact OD1-CZ 3.68Å; D246-R493 IonicContact OD1-NH2 2.7Å; D246-R493 PolarHBondContact OD1-NH2 3.12Å; D246-R493 VanDerWaalsContact OD1-NH2 3.08Å; D246-R493 IonicContact OD2-CZ 3.77Å; D246-R493 IonicContact OD2-NH1 2.74Å; D246-R493 IonicContact OD2-NH2 3.49Å; D246-R493 PolarHBondContact OD2-NH2 2.9Å
247	P	91	Very high	96.8	Very high	97 Å²	97	28 Å²	28	63%	0.63	17%	0.172	S	C	*	.	S	Bend	trans	-66.1	-32.9	-174.6	26.5	-34.9	0	0	0	113	K289	P247-K289 PolarHBondContact O-NZ 3.09Å
248	D	94.3	Very high	97	Very high	123 Å²	123	25.2 Å²	25.2	66%	0.658	15%	0.153	S	C	*	.	S	Bend	trans	-102.4	134.5	179.5	-69.7	-46.9	0	0	0	111.1	D246	D246-D248 VanDerWaalsContact C-N 3.3Å; D246-D248 PolarHBondContact O-N 3.1Å
249	P	95.9	Very high	97.1	Very high	21 Å²	21	24.6 Å²	24.6	14%	0.136	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-67.3	130.4	178.5	27.7	-34.7	0	0	0	110.5	N287 K289 Y292 K310	P249-N287 HydrophobicContact CB-CB 4.01Å; P249-K289 HydrophobicContact CB-CB 4.32Å; P249-K289 HydrophobicContact CG-CB 3.81Å; P249-Y292 VanDerWaalsContact CB-OH 3.3Å; P249-Y292 WeakPolarHBondContact CB-OH 3.38Å; P249-K310 VanDerWaalsContact O-CE 3.32Å; P249-K310 WeakPolarHBondContact O-CE 3.45Å; P249-K310 PolarHBondContact O-NZ 2.94Å
250	P	98.1	Very high	97	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.013	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-70.2	154.7	177.9	31.5	-37.9	0	0	0	111.6	S222 F224 Y253 Y292 K310 L509	S222-P250 VanDerWaalsContact OG-CA 3.26Å; S222-P250 WeakPolarHBondContact OG-CA 3.38Å; F224-P250 HydrophobicContact CB-CB 3.94Å; F224-P250 HydrophobicContact CB-CG 3.69Å; P250-Y253 WeakPolarHBondContact CD-OH 3.37Å; P250-Y253 HydrophobicContact CG-CD1 4.21Å; P250-Y253 HydrophobicContact CG-CD2 3.71Å; P250-Y253 HydrophobicContact CG-CE1 3.82Å; P250-Y253 HydrophobicContact CG-CE2 3.29Å; P250-Y253 HydrophobicContact CG-CG 4.14Å; P250-Y292 WeakPolarHBondContact CD-OH 3.33Å; P250-Y292 WeakPolarHBondContact O-CE1 3.25Å; P250-Y292 PolarHBondContact O-OH 3.08Å; P250-K310 WeakPolarHBondContact O-CE 3.41Å; P250-K310 PolarHBondContact O-NZ 2.87Å; P250-L509 HydrophobicContact CB-CD1 4.29Å
251	D	98.6	Very high	96.7	Very high	17 Å²	17	22.4 Å²	22.4	9%	0.091	13%	0.134	C	C	.	.	S	Bend	trans	-72.3	-34.7	178.8	-65.6	-64.9	0	0	0	112.9	F221 S222 K310 H313	F221-D251 HydrophobicContact CB-CB 4.34Å; F221-D251 HydrophobicContact CD1-CB 4.25Å; S222-D251 PolarHBondContact N-OD2 3.34Å; S222-D251 WeakPolarHBondContact O-CA 3.39Å; S222-D251 WeakPolarHBondContact O-CB 3.37Å; S222-D251 PolarHBondContact O-N 3.23Å; S222-D251 PolarHBondContact OG-N 3.23Å; S222-D251 PolarHBondContact OG-OD2 3.4Å; D251-K310 VanDerWaalsContact CG-NZ 3.32Å; D251-K310 PolarHBondContact O-N 3.29Å; D251-K310 IonicContact OD1-NZ 2.69Å; D251-K310 PolarHBondContact OD1-NZ 3.4Å; D251-K310 IonicContact OD2-NZ 3.59Å; D251-H313 IonicContact OD1-CD2 3.66Å; D251-H313 IonicContact OD1-CE1 3.13Å; D251-H313 IonicContact OD1-NE2 3.42Å; D251-H313 PolarHBondContact OD1-NE2 2.93Å
252	I	98.8	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.2	175.4	-73.3	166.8	0	0	0	109.6	S222 F223 F224 V307 F308 V309 I317 F343 F345	S222-I252 PolarHBondContact O-N 2.88Å; S222-I252 VanDerWaalsContact O-N 3.08Å; F223-I252 WeakPolarHBondContact CA-O 3.43Å; F223-I252 HydrophobicContact CD1-CB 3.79Å; F223-I252 HydrophobicContact CD1-CD1 4.22Å; F223-I252 HydrophobicContact CD1-CG2 3.76Å; F223-I252 HydrophobicContact CE1-CB 3.96Å; F223-I252 HydrophobicContact CE1-CD1 3.47Å; F223-I252 VanDerWaalsContact CE1-CD1 3.47Å; F223-I252 HydrophobicContact CE1-CG1 4.27Å; F223-I252 HydrophobicContact CE1-CG2 4Å; F223-I252 HydrophobicContact CE2-CD1 4.47Å; F223-I252 HydrophobicContact CG-CB 4.28Å; F223-I252 HydrophobicContact CZ-CD1 3.62Å; F224-I252 PolarHBondContact N-O 3.5Å; I252-V307 HydrophobicContact CG2-CG1 4.04Å; I252-F308 WeakPolarHBondContact CA-O 3.4Å; I252-V309 HydrophobicContact CD1-CG2 4.35Å; I252-V309 HydrophobicContact CG1-CB 4.23Å; I252-V309 HydrophobicContact CG1-CG2 3.77Å; I252-I317 HydrophobicContact CD1-CD1 4.46Å; I252-F343 HydrophobicContact CD1-CE2 4.16Å; I252-F343 HydrophobicContact CD1-CZ 4.32Å; I252-F345 HydrophobicContact CD1-CD1 4.09Å; I252-F345 HydrophobicContact CD1-CE1 4.31Å; I252-F345 HydrophobicContact CD1-CG 4.45Å
253	Y	98.9	Very high	95.5	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134	163.5	-79.5	-90.9	0	0	0	108.7	F224 L243 P250 L286 N287 Y292 V307 F308	F224-Y253 HydrophobicContact CB-CD1 3.61Å; F224-Y253 HydrophobicContact CB-CE1 3.8Å; F224-Y253 HydrophobicContact CB-CG 4.28Å; F224-Y253 AromaticContact CD1-CD1 3.38Å; F224-Y253 HydrophobicContact CD1-CD1 3.38Å; F224-Y253 AromaticContact CD1-CE1 3.73Å; F224-Y253 HydrophobicContact CD1-CE1 3.73Å; F224-Y253 HydrophobicContact CD2-CD1 4.39Å; F224-Y253 AromaticContact CD2-CE1 3.95Å; F224-Y253 HydrophobicContact CD2-CE1 3.95Å; F224-Y253 HydrophobicContact CE1-CD1 4.11Å; F224-Y253 HydrophobicContact CE1-CE1 4.25Å; F224-Y253 HydrophobicContact CE2-CE1 4.43Å; F224-Y253 AromaticContact CG-CD1 3.55Å; F224-Y253 HydrophobicContact CG-CD1 3.55Å; F224-Y253 AromaticContact CG-CE1 3.57Å; F224-Y253 HydrophobicContact CG-CE1 3.57Å; F224-Y253 CarbonylContact O-C 3.55Å; F224-Y253 WeakPolarHBondContact O-CA 3.49Å; L243-Y253 HydrophobicContact CB-CE1 4.3Å; L243-Y253 VanDerWaalsContact O-CE1 3.29Å; L243-Y253 WeakPolarHBondContact O-CE1 3.31Å; L243-Y253 PolarHBondContact O-OH 2.85Å; P250-Y253 WeakPolarHBondContact CD-OH 3.37Å; P250-Y253 HydrophobicContact CG-CD1 4.21Å; P250-Y253 HydrophobicContact CG-CD2 3.71Å; P250-Y253 HydrophobicContact CG-CE1 3.82Å; P250-Y253 HydrophobicContact CG-CE2 3.29Å; P250-Y253 HydrophobicContact CG-CG 4.14Å; Y253-L286 HydrophobicContact CD1-CD2 4.1Å; Y253-L286 HydrophobicContact CD2-CD2 3.84Å; Y253-L286 HydrophobicContact CE1-CD2 4.25Å; Y253-L286 HydrophobicContact CE2-CB 4.4Å; Y253-L286 HydrophobicContact CE2-CD2 3.96Å; Y253-L286 HydrophobicContact CG-CD2 3.91Å; Y253-N287 WeakPolarHBondContact OH-CB 3.32Å; Y253-N287 PolarHBondContact OH-N 2.79Å; Y253-Y292 HydrophobicContact CD2-CD1 4.14Å; Y253-Y292 AromaticContact CD2-CE1 3.64Å; Y253-Y292 HydrophobicContact CD2-CE1 3.64Å; Y253-Y292 HydrophobicContact CD2-CE2 4.44Å; Y253-Y292 AromaticContact CD2-CZ 3.83Å; Y253-Y292 AromaticContact CE2-CE1 3.83Å; Y253-Y292 HydrophobicContact CE2-CE1 3.83Å; Y253-Y292 AromaticContact CE2-CE2 3.92Å; Y253-Y292 HydrophobicContact CE2-CE2 3.92Å; Y253-Y292 AromaticContact CE2-CZ 3.48Å; Y253-Y292 VanDerWaalsContact CE2-CZ 3.48Å; Y253-Y292 WeakPolarHBondContact CE2-OH 3.32Å; Y253-V307 CarbonylContact O-C 3.59Å; Y253-V307 WeakPolarHBondContact O-CA 2.91Å; Y253-V307 WeakPolarHBondContact O-CG1 3.47Å; Y253-F308 PolarHBondContact N-O 2.96Å; Y253-F308 PolarHBondContact O-N 2.61Å
254	A	98.8	Very high	94.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.4	163.1	0	0	0	0	0	109.3	F224 I225 G226 V306 V307 I352	F224-A254 PolarHBondContact O-N 3.37Å; I225-A254 CarbonylContact C-O 3.58Å; I225-A254 WeakPolarHBondContact CA-O 3.27Å; I225-A254 HydrophobicContact CD1-CB 3.87Å; G226-A254 PolarHBondContact N-O 3Å; A254-V306 WeakPolarHBondContact CA-O 3.41Å; A254-V307 HydrophobicContact CB-CG1 4.49Å; A254-V307 HydrophobicContact CB-CG2 3.99Å; A254-I352 HydrophobicContact CB-CD1 3.56Å; A254-I352 HydrophobicContact CB-CG2 4.08Å
255	V	98.9	Very high	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116	-173.9	-170.4	0	0	0	0	109	W242 L243 F257 V282 V306	W242-V255 HydrophobicContact CH2-CG1 3.36Å; W242-V255 HydrophobicContact CZ2-CG1 3.95Å; W242-V255 HydrophobicContact CZ3-CG1 3.95Å; L243-V255 HydrophobicContact CD2-CG2 4.12Å; V255-F257 HydrophobicContact CB-CE2 4.26Å; V255-F257 HydrophobicContact CG1-CD2 4.23Å; V255-F257 HydrophobicContact CG1-CE1 4.44Å; V255-F257 HydrophobicContact CG1-CE2 3.5Å; V255-F257 VanDerWaalsContact CG1-CE2 3.5Å; V255-F257 HydrophobicContact CG1-CZ 3.62Å; V255-V282 HydrophobicContact CG1-CG2 4.45Å; V255-V282 HydrophobicContact CG2-CG1 4.25Å; V255-V306 HydrophobicContact CB-CG1 4.09Å; V255-V306 PolarHBondContact N-O 3.35Å; V255-V306 PolarHBondContact O-N 2.84Å
256	G	98.8	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.7	173.6	0	0	0	0	0	112	G226 T227 W228 M304 N354	G226-G256 PolarHBondContact O-N 3.21Å; T227-G256 CarbonylContact C-O 3.3Å; T227-G256 VanDerWaalsContact CA-O 3.31Å; T227-G256 WeakPolarHBondContact CA-O 3.34Å; W228-G256 PolarHBondContact N-O 3.43Å; G256-M304 CarbonylContact C-O 3.49Å; G256-M304 WeakPolarHBondContact CA-O 3.48Å; G256-N354 WeakPolarHBondContact CA-ND2 3.37Å
257	F	98.8	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.1	172.7	-64.2	-85.1	0	0	0	110.5	W228 V230 W242 V255 L260 W278 V282 M303 M304 N354	W228-F257 HydrophobicContact CB-CD1 4.33Å; W228-F257 HydrophobicContact CE3-CE1 4.26Å; W228-F257 VanDerWaalsContact O-CA 3.29Å; W228-F257 WeakPolarHBondContact O-CA 3.4Å; V230-F257 HydrophobicContact CG1-CD1 3.72Å; V230-F257 HydrophobicContact CG1-CE1 4.21Å; W242-F257 AromaticContact CH2-CE1 3.85Å; W242-F257 HydrophobicContact CH2-CE1 3.85Å; W242-F257 HydrophobicContact CH2-CZ 4.04Å; W242-F257 AromaticContact CZ3-CE1 3.75Å; W242-F257 HydrophobicContact CZ3-CE1 3.75Å; W242-F257 AromaticContact CZ3-CZ 3.87Å; W242-F257 HydrophobicContact CZ3-CZ 3.87Å; V255-F257 HydrophobicContact CB-CE2 4.26Å; V255-F257 HydrophobicContact CG1-CD2 4.23Å; V255-F257 HydrophobicContact CG1-CE1 4.44Å; V255-F257 HydrophobicContact CG1-CE2 3.5Å; V255-F257 VanDerWaalsContact CG1-CE2 3.5Å; V255-F257 HydrophobicContact CG1-CZ 3.62Å; F257-L260 HydrophobicContact CB-CD1 3.68Å; F257-L260 HydrophobicContact CD1-CD1 4.42Å; F257-L260 HydrophobicContact CD2-CD1 4.43Å; F257-L260 HydrophobicContact CG-CD1 3.95Å; F257-W278 HydrophobicContact CD1-CE3 4.19Å; F257-W278 HydrophobicContact CD1-CZ3 4.48Å; F257-W278 HydrophobicContact CE1-CD2 4.21Å; F257-W278 AromaticContact CE1-CE3 3.46Å; F257-W278 HydrophobicContact CE1-CE3 3.46Å; F257-W278 VanDerWaalsContact CE1-CE3 3.46Å; F257-W278 AromaticContact CE1-CZ3 3.68Å; F257-W278 HydrophobicContact CE1-CZ3 3.68Å; F257-W278 AromaticContact CZ-CE3 3.76Å; F257-W278 HydrophobicContact CZ-CE3 3.76Å; F257-W278 HydrophobicContact CZ-CZ3 4.28Å; F257-V282 HydrophobicContact CE2-CG2 3.85Å; F257-V282 HydrophobicContact CZ-CG2 3.63Å; F257-M303 WeakPolarHBondContact O-CA 3.38Å; F257-M304 HydrophobicContact CB-CB 4.44Å; F257-M304 HydrophobicContact CD2-CE 3.48Å; F257-M304 VanDerWaalsContact CD2-CE 3.48Å; F257-M304 HydrophobicContact CE2-CE 3.88Å; F257-M304 HydrophobicContact CG-CE 4.27Å; F257-M304 PolarHBondContact N-O 2.9Å; F257-M304 PolarHBondContact O-N 2.95Å; F257-N354 PolarHBondContact N-ND2 2.84Å; F257-N354 PolarHBondContact O-ND2 3.04Å
258	Q	98.6	Very high	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.1	171.5	-50.8	79	38.1	0	0	109.4	T227 W228 N229 V230 L260 G302 N354 C355 H356 D401	T227-Q258 PolarHBondContact OG1-NE2 2.86Å; T227-Q258 PolarHBondContact OG1-OE1 2.88Å; W228-Q258 PolarHBondContact O-N 3.08Å; W228-Q258 VanDerWaalsContact O-N 3.07Å; W228-Q258 PolarHBondContact O-OE1 2.85Å; N229-Q258 WeakPolarHBondContact CA-O 3.35Å; N229-Q258 HydrophobicContact CB-CB 4.1Å; N229-Q258 PolarHBondContact OD1-O 3.31Å; V230-Q258 PolarHBondContact N-O 3.27Å; Q258-L260 PolarHBondContact O-N 3.35Å; Q258-G302 CarbonylContact C-O 3.52Å; Q258-G302 VanDerWaalsContact C-O 3.3Å; Q258-G302 WeakPolarHBondContact CA-O 3.45Å; Q258-N354 PolarHBondContact NE2-OD1 3.3Å; Q258-C355 WeakPolarHBondContact CG-O 3.34Å; Q258-H356 HydrophobicContact CB-CB 4.2Å; Q258-H356 HydrophobicContact CG-CB 4Å; Q258-D401 HydrophobicContact CB-CB 4.27Å; Q258-D401 HydrophobicContact CG-CB 3.91Å
259	E	97.2	Very high	90.2	Very high	42 Å²	42	29.3 Å²	29.3	20%	0.196	15%	0.146	C	C	.	.	S	Bend	trans	52.1	33.4	-173.3	-54	-170.2	-153.2	0	0	113.7	N229 G232 D261 L262 G302 H356	N229-E259 PolarHBondContact ND2-OE1 3.4Å; N229-E259 VanDerWaalsContact OD1-CB 3.32Å; N229-E259 WeakPolarHBondContact OD1-CB 3.25Å; N229-E259 WeakPolarHBondContact OD1-CG 3.4Å; G232-E259 WeakPolarHBondContact CA-O 3.38Å; G232-E259 PolarHBondContact N-O 3.4Å; E259-D261 PolarHBondContact O-N 3.28Å; E259-D261 VanDerWaalsContact O-N 3.15Å; E259-L262 HydrophobicContact CB-CD2 3.91Å; E259-L262 HydrophobicContact CB-CG 4.34Å; E259-L262 HydrophobicContact CG-CD2 4.09Å; E259-G302 PolarHBondContact N-O 3.06Å; E259-H356 VanDerWaalsContact CG-CE1 3.46Å; E259-H356 WeakPolarHBondContact CG-CE1 3.26Å; E259-H356 IonicContact OE1-CE1 3.71Å; E259-H356 PolarHBondContact OE1-CE1 2.67Å; E259-H356 VanDerWaalsContact OE1-CE1 3.25Å; E259-H356 IonicContact OE1-NE2 2.87Å
260	L	95.8	Very high	89.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-51.8	-40.3	178.9	-161.7	84.6	0	0	0	112.3	V230 F257 Q258 K274 E275 W278 G302 M304	V230-L260 HydrophobicContact CG2-CD1 4.28Å; F257-L260 HydrophobicContact CB-CD1 3.68Å; F257-L260 HydrophobicContact CD1-CD1 4.42Å; F257-L260 HydrophobicContact CD2-CD1 4.43Å; F257-L260 HydrophobicContact CG-CD1 3.95Å; Q258-L260 PolarHBondContact O-N 3.35Å; L260-K274 WeakPolarHBondContact O-CD 3.41Å; L260-E275 HydrophobicContact CD2-CB 4.48Å; L260-W278 HydrophobicContact CD1-CB 3.89Å; L260-W278 VanDerWaalsContact CD1-CD1 3.41Å; L260-W278 HydrophobicContact CD1-CD2 4.26Å; L260-W278 HydrophobicContact CD1-CG 3.58Å; L260-W278 HydrophobicContact CG-CG 4.46Å; L260-G302 WeakPolarHBondContact CB-O 3.12Å; L260-G302 PolarHBondContact N-O 2.81Å; L260-M304 HydrophobicContact CD1-CE 3.73Å; L260-M304 HydrophobicContact CD2-CB 4.06Å; L260-M304 HydrophobicContact CD2-CE 3.96Å; L260-M304 HydrophobicContact CD2-SD 3.73Å
261	D	90.3	Very high	88.3	Confident	9 Å²	9	37.7 Å²	37.7	5%	0.048	19%	0.189	C	C	.	.			trans	-142.7	135	172.6	-156.3	-0.9	0	0	0	110.3	E259 S263 A266 S272 K274	E259-D261 PolarHBondContact O-N 3.28Å; E259-D261 VanDerWaalsContact O-N 3.15Å; D261-S263 PolarHBondContact OD1-N 3.45Å; D261-S263 PolarHBondContact OD1-OG 3.09Å; D261-S263 PolarHBondContact OD2-OG 2.91Å; D261-A266 HydrophobicContact CB-CB 3.77Å; D261-S272 WeakPolarHBondContact CB-OG 3.47Å; D261-S272 PolarHBondContact OD2-OG 2.93Å; D261-K274 HydrophobicContact CB-CD 4.12Å; D261-K274 IonicContact OD1-NZ 2.61Å; D261-K274 PolarHBondContact OD1-NZ 3.15Å
262	L	87.2	Confident	87.6	Confident	102 Å²	102	37.4 Å²	37.4	53%	0.534	19%	0.188	S	C	.	.			trans	-110.1	8	-180	-64.3	177.1	0	0	0	111.4	E259	E259-L262 HydrophobicContact CB-CD2 3.91Å; E259-L262 HydrophobicContact CB-CG 4.34Å; E259-L262 HydrophobicContact CG-CD2 4.09Å
263	S	83.3	Confident	86.9	Confident	32 Å²	32	42.1 Å²	42.1	22%	0.224	22%	0.221	C	C	.	.	S	Bend	trans	-65.8	150.9	176.7	63.7	0	0	0	0	112.2	D261 E265 A266 F267	D261-S263 PolarHBondContact OD1-N 3.45Å; D261-S263 PolarHBondContact OD1-OG 3.09Å; D261-S263 PolarHBondContact OD2-OG 2.91Å; S263-E265 PolarHBondContact O-N 2.86Å; S263-A266 PolarHBondContact O-N 3.31Å; S263-A266 VanDerWaalsContact OG-CB 3.31Å; S263-A266 WeakPolarHBondContact OG-CB 3.32Å; S263-A266 PolarHBondContact OG-N 3.43Å; S263-A266 VanDerWaalsContact OG-N 3.15Å; S263-F267 PolarHBondContact O-N 2.77Å
264	T	79.6	Confident	86.6	Confident	81 Å²	81	44 Å²	44	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-57.7	-34.2	169.7	28.7	0	0	0	0	112	F267 F268	T264-F267 PolarHBondContact O-N 3.21Å; T264-F268 HydrophobicContact CG2-CE2 4.5Å; T264-F268 WeakPolarHBondContact O-CD2 3.28Å; T264-F268 PolarHBondContact O-N 2.74Å
265	E	78.6	Confident	86.4	Confident	77 Å²	77	46.2 Å²	46.2	36%	0.36	24%	0.24	S	C	.	.	H	α-helix	trans	-67.1	-46.3	-178.2	-67.5	84.9	157.3	0	0	111.2	S263 F267 Y269 L270	S263-E265 PolarHBondContact O-N 2.86Å; E265-F267 VanDerWaalsContact C-N 3.27Å; E265-F267 PolarHBondContact O-N 3.17Å; E265-Y269 HydrophobicContact CB-CD2 4.49Å; E265-Y269 WeakPolarHBondContact O-CA 3.48Å; E265-Y269 WeakPolarHBondContact O-CB 3.3Å; E265-Y269 PolarHBondContact O-N 2.98Å; E265-L270 PolarHBondContact O-N 3.35Å
266	A	72.6	Confident	86.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-30.8	173.9	0	0	0	0	0	112.8	D261 S263 D271	D261-A266 HydrophobicContact CB-CB 3.77Å; S263-A266 PolarHBondContact O-N 3.31Å; S263-A266 VanDerWaalsContact OG-CB 3.31Å; S263-A266 WeakPolarHBondContact OG-CB 3.32Å; S263-A266 PolarHBondContact OG-N 3.43Å; S263-A266 VanDerWaalsContact OG-N 3.15Å; A266-D271 WeakPolarHBondContact CA-O 3.26Å; A266-D271 PolarHBondContact N-O 3.49Å
267	F	77.6	Confident	86.1	Confident	46 Å²	46	53.4 Å²	53.4	20%	0.202	28%	0.277	C	S	.	.	H	α-helix	trans	-75.1	-44.4	177.9	-178.6	-95.7	0	0	0	113.2	F17 S263 T264 E265 V301 I329 M333 N335	F17-F267 HydrophobicContact CE2-CE1 4.42Å; S263-F267 PolarHBondContact O-N 2.77Å; T264-F267 PolarHBondContact O-N 3.21Å; E265-F267 VanDerWaalsContact C-N 3.27Å; E265-F267 PolarHBondContact O-N 3.17Å; F267-V301 HydrophobicContact CB-CG1 4.27Å; F267-V301 HydrophobicContact CD2-CG1 4.32Å; F267-I329 HydrophobicContact CE2-CD1 4.41Å; F267-I329 HydrophobicContact CZ-CD1 4.05Å; F267-M333 HydrophobicContact CE2-CB 4.46Å; F267-M333 HydrophobicContact CZ-CB 4.44Å; F267-M333 HydrophobicContact CZ-CG 4.4Å; F267-N335 HydrophobicContact CD2-CB 4.03Å; F267-N335 HydrophobicContact CE2-CB 3.8Å
268	F	76.3	Confident	86.1	Confident	70 Å²	70	53.4 Å²	53.4	31%	0.307	28%	0.277	S	S	.	.	H	α-helix	trans	-95.9	-34.8	-174.1	-72.8	-65.6	0	0	0	115.1	F17 V21 T264	F17-F268 HydrophobicContact CE2-CE1 4.2Å; F17-F268 HydrophobicContact CE2-CZ 4.26Å; F17-F268 AromaticContact CZ-CE1 3.98Å; F17-F268 HydrophobicContact CZ-CE1 3.98Å; F17-F268 HydrophobicContact CZ-CZ 4.47Å; V21-F268 HydrophobicContact CG2-CE1 3.65Å; V21-F268 HydrophobicContact CG2-CZ 3.73Å; T264-F268 HydrophobicContact CG2-CE2 4.5Å; T264-F268 WeakPolarHBondContact O-CD2 3.28Å; T264-F268 PolarHBondContact O-N 2.74Å
269	Y	72	Confident	86	Confident	115 Å²	115	53.4 Å²	53.4	45%	0.451	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.5	-173.3	-54.7	-63.7	0	0	0	113.5	E265 D271	E265-Y269 HydrophobicContact CB-CD2 4.49Å; E265-Y269 WeakPolarHBondContact O-CA 3.48Å; E265-Y269 WeakPolarHBondContact O-CB 3.3Å; E265-Y269 PolarHBondContact O-N 2.98Å; Y269-D271 PolarHBondContact O-N 3.14Å
270	L	74.4	Confident	86	Confident	83 Å²	83	55.2 Å²	55.2	44%	0.435	29%	0.286	S	S	.	.			trans	57.5	10.8	-174.7	-59.8	173.5	0	0	0	114.5	E265 R299 L300 V301	E265-L270 PolarHBondContact O-N 3.35Å; L270-R299 VanDerWaalsContact O-CZ 3.22Å; L270-R299 PolarHBondContact O-NH1 3.48Å; L270-R299 PolarHBondContact O-NH2 3.12Å; L270-L300 HydrophobicContact CD2-CD1 4.22Å; L270-V301 HydrophobicContact CD2-CG2 3.94Å
271	D	78.3	Confident	86.1	Confident	116 Å²	116	55.4 Å²	55.4	62%	0.62	29%	0.287	S	S	*	.			trans	-84.7	143.8	172.6	-171.5	17.9	0	0	0	110.7	A266 Y269	A266-D271 WeakPolarHBondContact CA-O 3.26Å; A266-D271 PolarHBondContact N-O 3.49Å; Y269-D271 PolarHBondContact O-N 3.14Å
272	S	83.9	Confident	86.5	Confident	11 Å²	11	55 Å²	55	8%	0.077	29%	0.285	C	S	.	.			trans	-158.4	119.4	173.8	-176.3	0	0	0	0	111.8	D261 K274 E275	D261-S272 WeakPolarHBondContact CB-OG 3.47Å; D261-S272 PolarHBondContact OD2-OG 2.93Å; S272-K274 PolarHBondContact O-N 3.22Å; S272-K274 PolarHBondContact OG-N 3.4Å; S272-E275 PolarHBondContact O-N 3.29Å
273	S	85.7	Confident	87	Confident	98 Å²	98	53.8 Å²	53.8	69%	0.685	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.7	171.8	56.9	0	0	0	0	113.5	V277	S273-V277 WeakPolarHBondContact O-CG2 3.35Å
274	K	92.6	Very high	87.6	Confident	42 Å²	42	60.2 Å²	60.2	18%	0.183	30%	0.296	C	S	.	.	H	α-helix	trans	-81.3	-19.8	-179.8	-66.3	179	-172.4	156.8	0	113.8	G232 L260 D261 S272 V277 W278	G232-K274 WeakPolarHBondContact O-CE 3.46Å; G232-K274 PolarHBondContact O-NZ 2.97Å; L260-K274 WeakPolarHBondContact O-CD 3.41Å; D261-K274 HydrophobicContact CB-CD 4.12Å; D261-K274 IonicContact OD1-NZ 2.61Å; D261-K274 PolarHBondContact OD1-NZ 3.15Å; S272-K274 PolarHBondContact O-N 3.22Å; S272-K274 PolarHBondContact OG-N 3.4Å; K274-V277 PolarHBondContact O-N 3.3Å; K274-W278 PolarHBondContact O-N 2.87Å
275	E	94	Very high	88.5	Confident	46 Å²	46	56.5 Å²	56.5	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-55.6	-58.1	178.4	-172	-177	144.6	0	0	111	L260 S272 V277 W278 V279 R299 M304	L260-E275 HydrophobicContact CD2-CB 4.48Å; S272-E275 PolarHBondContact O-N 3.29Å; E275-V277 PolarHBondContact O-N 2.82Å; E275-W278 PolarHBondContact O-N 3.4Å; E275-V279 VanDerWaalsContact O-CG2 3.29Å; E275-V279 WeakPolarHBondContact O-CG2 3.39Å; E275-V279 PolarHBondContact O-N 2.92Å; E275-R299 IonicContact OE2-CZ 3.17Å; E275-R299 IonicContact OE2-NE 3.89Å; E275-R299 PolarHBondContact OE2-NE 2.99Å; E275-R299 IonicContact OE2-NH2 2.74Å; E275-R299 PolarHBondContact OE2-NH2 3.38Å; E275-M304 HydrophobicContact CG-SD 3.7Å
276	Q	95.1	Very high	89.3	Confident	88 Å²	88	53.4 Å²	53.4	41%	0.411	26%	0.26	S	S	.	.	H	α-helix	trans	-64.3	-39.5	-177.3	-175.8	61.1	22.7	0	0	111.9	W278 V279 E280	Q276-W278 PolarHBondContact O-N 2.84Å; Q276-V279 PolarHBondContact O-N 2.88Å; Q276-E280 HydrophobicContact CG-CG 4.47Å; Q276-E280 WeakPolarHBondContact CG-OE1 3.45Å; Q276-E280 PolarHBondContact NE2-OE1 2.9Å; Q276-E280 WeakPolarHBondContact O-CB 3.1Å; Q276-E280 WeakPolarHBondContact O-CG 3.27Å; Q276-E280 PolarHBondContact O-N 3.46Å
277	V	96.8	Very high	90.3	Very high	63 Å²	63	54.1 Å²	54.1	38%	0.382	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-44.8	179.3	178	0	0	0	0	111.8	P235 S273 K274 E275 A281	P235-V277 HydrophobicContact CG-CG1 4.13Å; S273-V277 WeakPolarHBondContact O-CG2 3.35Å; K274-V277 PolarHBondContact O-N 3.3Å; E275-V277 PolarHBondContact O-N 2.82Å; V277-A281 WeakPolarHBondContact O-CB 3.39Å; V277-A281 PolarHBondContact O-N 3.29Å
278	W	97.8	Very high	90.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.3	-39.1	177	-86.3	105.3	0	0	0	112.4	W228 V230 Q233 P235 L239 F257 L260 K274 E275 Q276 A281 V282 M304	W228-W278 HydrophobicContact CE3-CH2 4.08Å; W228-W278 HydrophobicContact CE3-CZ3 4.05Å; W228-W278 HydrophobicContact CH2-CH2 4.28Å; W228-W278 AromaticContact CZ3-CH2 3.66Å; W228-W278 HydrophobicContact CZ3-CH2 3.66Å; W228-W278 AromaticContact CZ3-CZ3 3.76Å; W228-W278 HydrophobicContact CZ3-CZ3 3.76Å; V230-W278 HydrophobicContact CB-CH2 4.24Å; V230-W278 HydrophobicContact CB-CZ2 3.74Å; V230-W278 HydrophobicContact CG1-CH2 3.6Å; V230-W278 HydrophobicContact CG1-CZ2 3.58Å; V230-W278 HydrophobicContact CG1-CZ3 4.18Å; V230-W278 HydrophobicContact CG2-CZ2 4.11Å; Q233-W278 WeakPolarHBondContact O-CZ2 3.48Å; Q233-W278 PolarHBondContact O-NE1 2.91Å; P235-W278 HydrophobicContact CB-CH2 4.27Å; P235-W278 HydrophobicContact CB-CZ2 4.48Å; P235-W278 HydrophobicContact CB-CZ3 4.29Å; P235-W278 HydrophobicContact CG-CD2 3.61Å; P235-W278 HydrophobicContact CG-CE3 3.73Å; P235-W278 HydrophobicContact CG-CG 4.12Å; P235-W278 HydrophobicContact CG-CH2 4.07Å; P235-W278 HydrophobicContact CG-CZ2 3.97Å; P235-W278 HydrophobicContact CG-CZ3 3.96Å; L239-W278 HydrophobicContact CD1-CE3 4.26Å; L239-W278 HydrophobicContact CD1-CZ3 4.05Å; L239-W278 HydrophobicContact CD2-CZ3 4.07Å; F257-W278 HydrophobicContact CD1-CE3 4.19Å; F257-W278 HydrophobicContact CD1-CZ3 4.48Å; F257-W278 HydrophobicContact CE1-CD2 4.21Å; F257-W278 AromaticContact CE1-CE3 3.46Å; F257-W278 HydrophobicContact CE1-CE3 3.46Å; F257-W278 VanDerWaalsContact CE1-CE3 3.46Å; F257-W278 AromaticContact CE1-CZ3 3.68Å; F257-W278 HydrophobicContact CE1-CZ3 3.68Å; F257-W278 AromaticContact CZ-CE3 3.76Å; F257-W278 HydrophobicContact CZ-CE3 3.76Å; F257-W278 HydrophobicContact CZ-CZ3 4.28Å; L260-W278 HydrophobicContact CD1-CB 3.89Å; L260-W278 VanDerWaalsContact CD1-CD1 3.41Å; L260-W278 HydrophobicContact CD1-CD2 4.26Å; L260-W278 HydrophobicContact CD1-CG 3.58Å; L260-W278 HydrophobicContact CG-CG 4.46Å; K274-W278 PolarHBondContact O-N 2.87Å; E275-W278 PolarHBondContact O-N 3.4Å; Q276-W278 PolarHBondContact O-N 2.84Å; W278-A281 PolarHBondContact O-N 3.24Å; W278-V282 WeakPolarHBondContact O-CG2 3.39Å; W278-V282 PolarHBondContact O-N 2.96Å; W278-M304 HydrophobicContact CB-CE 3.87Å
279	V	97.6	Very high	91.6	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-43.6	175.4	171.8	0	0	0	0	111.3	E275 Q276 V282 E283 R294 V297 M304 V306 F308	E275-V279 VanDerWaalsContact O-CG2 3.29Å; E275-V279 WeakPolarHBondContact O-CG2 3.39Å; E275-V279 PolarHBondContact O-N 2.92Å; Q276-V279 PolarHBondContact O-N 2.88Å; V279-V282 PolarHBondContact O-N 3.42Å; V279-E283 WeakPolarHBondContact O-CG 3.48Å; V279-E283 PolarHBondContact O-N 3.04Å; V279-R294 VanDerWaalsContact CG1-NH1 3.29Å; V279-V297 HydrophobicContact CG2-CG2 4.18Å; V279-M304 HydrophobicContact CG2-CE 3.98Å; V279-M304 HydrophobicContact CG2-SD 3.89Å; V279-V306 HydrophobicContact CG2-CG2 4.48Å; V279-F308 HydrophobicContact CG1-CZ 4.49Å
280	E	97.1	Very high	92.4	Very high	80 Å²	80	60.4 Å²	60.4	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-66.3	-35.4	175	-74.8	175.8	-168.3	0	0	113.1	Q276 E283 R284	Q276-E280 HydrophobicContact CG-CG 4.47Å; Q276-E280 WeakPolarHBondContact CG-OE1 3.45Å; Q276-E280 PolarHBondContact NE2-OE1 2.9Å; Q276-E280 WeakPolarHBondContact O-CB 3.1Å; Q276-E280 WeakPolarHBondContact O-CG 3.27Å; Q276-E280 PolarHBondContact O-N 3.46Å; E280-E283 PolarHBondContact O-N 3.04Å; E280-R284 WeakPolarHBondContact O-CB 3.46Å; E280-R284 WeakPolarHBondContact O-CG 3.38Å; E280-R284 PolarHBondContact O-N 3.3Å; E280-R284 PolarHBondContact O-NE 3.14Å; E280-R284 VanDerWaalsContact O-NE 3.17Å
281	A	98	Very high	93.4	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-39.5	174.8	0	0	0	0	0	111.7	P235 L239 V277 W278 S285	P235-A281 HydrophobicContact CB-CB 3.94Å; P235-A281 HydrophobicContact CG-CB 3.67Å; L239-A281 HydrophobicContact CD1-CB 4.01Å; L239-A281 HydrophobicContact CG-CB 4.44Å; V277-A281 WeakPolarHBondContact O-CB 3.39Å; V277-A281 PolarHBondContact O-N 3.29Å; W278-A281 PolarHBondContact O-N 3.24Å; A281-S285 VanDerWaalsContact O-CB 3.25Å; A281-S285 WeakPolarHBondContact O-CB 3.37Å; A281-S285 PolarHBondContact O-N 3.06Å; A281-S285 PolarHBondContact O-OG 3.36Å
282	V	98.3	Very high	94.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-51.7	171	173	0	0	0	0	110.4	L239 L243 V255 F257 W278 V279 R284 S285 L286 F308	L239-V282 HydrophobicContact CD1-CG2 3.88Å; L243-V282 HydrophobicContact CD1-CB 4.38Å; L243-V282 HydrophobicContact CD1-CG1 4.01Å; L243-V282 HydrophobicContact CD1-CG2 4.34Å; V255-V282 HydrophobicContact CG1-CG2 4.45Å; V255-V282 HydrophobicContact CG2-CG1 4.25Å; F257-V282 HydrophobicContact CE2-CG2 3.85Å; F257-V282 HydrophobicContact CZ-CG2 3.63Å; W278-V282 WeakPolarHBondContact O-CG2 3.39Å; W278-V282 PolarHBondContact O-N 2.96Å; V279-V282 PolarHBondContact O-N 3.42Å; V282-R284 VanDerWaalsContact C-N 3.32Å; V282-R284 PolarHBondContact O-N 3.31Å; V282-S285 CarbonylContact O-C 3.54Å; V282-S285 PolarHBondContact O-N 3.42Å; V282-L286 HydrophobicContact CG1-CD2 3.89Å; V282-L286 WeakPolarHBondContact O-CG 3.26Å; V282-L286 PolarHBondContact O-N 2.77Å; V282-L286 VanDerWaalsContact O-N 3.15Å; V282-F308 HydrophobicContact CB-CE2 4.43Å; V282-F308 HydrophobicContact CG1-CD2 4.18Å; V282-F308 HydrophobicContact CG1-CE2 3.53Å; V282-F308 HydrophobicContact CG1-CZ 4.2Å
283	E	97	Very high	95	Very high	77 Å²	77	59.5 Å²	59.5	36%	0.36	28%	0.28	S	S	.	.	H	α-helix	trans	-55.5	-43.3	-178.4	-79.3	179.3	-175.7	0	0	113.2	V279 E280 S285 R294 F308	V279-E283 WeakPolarHBondContact O-CG 3.48Å; V279-E283 PolarHBondContact O-N 3.04Å; E280-E283 PolarHBondContact O-N 3.04Å; E283-S285 PolarHBondContact O-N 2.87Å; E283-R294 WeakPolarHBondContact OE1-CD 3.26Å; E283-R294 IonicContact OE1-CZ 3.85Å; E283-R294 IonicContact OE1-NE 3.46Å; E283-R294 IonicContact OE1-NH1 3.08Å; E283-R294 PolarHBondContact OE1-NH1 3.49Å; E283-R294 IonicContact OE2-NH1 2.81Å; E283-F308 HydrophobicContact CG-CD1 4.4Å; E283-F308 HydrophobicContact CG-CE1 3.3Å; E283-F308 HydrophobicContact CG-CZ 3.44Å; E283-F308 VanDerWaalsContact CG-CZ 3.44Å; E283-F308 WeakPolarHBondContact OE1-CE1 3.5Å
284	R	96.8	Very high	95.6	Very high	167 Å²	167	59.2 Å²	59.2	63%	0.63	26%	0.264	S	S	*	.	H	α-helix	trans	-71.1	-16.8	177.3	-72	179.9	-71	117.4	-6.5	114	E280 V282	E280-R284 WeakPolarHBondContact O-CB 3.46Å; E280-R284 WeakPolarHBondContact O-CG 3.38Å; E280-R284 PolarHBondContact O-N 3.3Å; E280-R284 PolarHBondContact O-NE 3.14Å; E280-R284 VanDerWaalsContact O-NE 3.17Å; V282-R284 VanDerWaalsContact C-N 3.32Å; V282-R284 PolarHBondContact O-N 3.31Å
285	S	97.3	Very high	95.8	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.028	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	7.8	-173.7	-51.4	0	0	0	0	113.8	L239 L243 C244 A281 V282 E283	L239-S285 PolarHBondContact N-OG 2.86Å; L243-S285 WeakPolarHBondContact CB-O 3.48Å; C244-S285 PolarHBondContact SG-O 3.5Å; A281-S285 VanDerWaalsContact O-CB 3.25Å; A281-S285 WeakPolarHBondContact O-CB 3.37Å; A281-S285 PolarHBondContact O-N 3.06Å; A281-S285 PolarHBondContact O-OG 3.36Å; V282-S285 CarbonylContact O-C 3.54Å; V282-S285 PolarHBondContact O-N 3.42Å; E283-S285 PolarHBondContact O-N 2.87Å
286	L	96.9	Very high	96	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.063	27%	0.272	C	S	.	.	S	Bend	trans	-71.6	154.3	171.8	-60.9	-174.9	0	0	0	111	L243 C244 Y253 V282 R288 Y292 F308	L243-L286 HydrophobicContact CD1-CD2 4.36Å; C244-L286 VanDerWaalsContact SG-C 3.51Å; Y253-L286 HydrophobicContact CD1-CD2 4.1Å; Y253-L286 HydrophobicContact CD2-CD2 3.84Å; Y253-L286 HydrophobicContact CE1-CD2 4.25Å; Y253-L286 HydrophobicContact CE2-CB 4.4Å; Y253-L286 HydrophobicContact CE2-CD2 3.96Å; Y253-L286 HydrophobicContact CG-CD2 3.91Å; V282-L286 HydrophobicContact CG1-CD2 3.89Å; V282-L286 WeakPolarHBondContact O-CG 3.26Å; V282-L286 PolarHBondContact O-N 2.77Å; V282-L286 VanDerWaalsContact O-N 3.15Å; L286-R288 PolarHBondContact O-N 2.89Å; L286-Y292 HydrophobicContact CB-CD2 3.99Å; L286-Y292 HydrophobicContact CB-CE2 4.37Å; L286-Y292 HydrophobicContact CD1-CD1 4.49Å; L286-Y292 HydrophobicContact CD1-CD2 4.01Å; L286-Y292 HydrophobicContact CD1-CG 3.81Å; L286-F308 HydrophobicContact CD1-CB 4.04Å; L286-F308 HydrophobicContact CD1-CD1 3.88Å; L286-F308 HydrophobicContact CD1-CD2 4.21Å; L286-F308 HydrophobicContact CD1-CE1 4.45Å; L286-F308 HydrophobicContact CD1-CG 3.78Å
287	N	92.9	Very high	96.1	Very high	14 Å²	14	59 Å²	59	8%	0.075	26%	0.262	C	S	.	.			trans	-60.8	112	-176.3	-172.9	-35.1	0	0	0	111.6	C244 P249 Y253 K289 G290 Y292	C244-N287 WeakPolarHBondContact SG-CA 3.33Å; C244-N287 PolarHBondContact SG-N 2.97Å; P249-N287 HydrophobicContact CB-CB 4.01Å; Y253-N287 WeakPolarHBondContact OH-CB 3.32Å; Y253-N287 PolarHBondContact OH-N 2.79Å; N287-K289 PolarHBondContact O-N 2.97Å; N287-K289 WeakPolarHBondContact OD1-CB 3.5Å; N287-K289 WeakPolarHBondContact OD1-CG 3.3Å; N287-K289 PolarHBondContact OD1-N 2.9Å; N287-K289 VanDerWaalsContact OD1-N 3.08Å; N287-G290 PolarHBondContact O-N 2.68Å; N287-Y292 WeakPolarHBondContact O-CE2 3.12Å
288	R	90.5	Very high	96.2	Very high	198 Å²	198	57 Å²	57	75%	0.747	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.1	-173.6	-52.7	-177.6	-165.4	-179.1	3.7	114.3	E240 L286 G290	E240-R288 IonicContact OE1-CZ 2.63Å; E240-R288 VanDerWaalsContact OE1-CZ 3.24Å; E240-R288 IonicContact OE1-NE 3.68Å; E240-R288 PolarHBondContact OE1-NE 2.9Å; E240-R288 IonicContact OE1-NH2 3.93Å; E240-R288 PolarHBondContact OE1-NH2 3.45Å; E240-R288 IonicContact OE2-NH2 4Å; E240-R288 PolarHBondContact OE2-NH2 3.01Å; L286-R288 PolarHBondContact O-N 2.89Å; R288-G290 PolarHBondContact O-N 2.78Å
289	K	90.9	Very high	96.1	Very high	152 Å²	152	59 Å²	59	66%	0.661	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.8	171.3	-60.5	177.8	-176	176.3	0	113.3	P247 P249 N287	P247-K289 PolarHBondContact O-NZ 3.09Å; P249-K289 HydrophobicContact CB-CB 4.32Å; P249-K289 HydrophobicContact CG-CB 3.81Å; N287-K289 PolarHBondContact O-N 2.97Å; N287-K289 WeakPolarHBondContact OD1-CB 3.5Å; N287-K289 WeakPolarHBondContact OD1-CG 3.3Å; N287-K289 PolarHBondContact OD1-N 2.9Å; N287-K289 VanDerWaalsContact OD1-N 3.08Å
290	G	89.8	Confident	96	Very high	14 Å²	14	59.5 Å²	59.5	14%	0.144	26%	0.259	C	S	.	.	S	Bend	trans	-116.9	131.5	175.3	0	0	0	0	0	113	N287 R288 Y292	N287-G290 PolarHBondContact O-N 2.68Å; R288-G290 PolarHBondContact O-N 2.78Å; G290-Y292 WeakPolarHBondContact O-CD2 3.02Å; G290-Y292 WeakPolarHBondContact O-CE2 3.46Å; G290-Y292 PolarHBondContact O-N 2.99Å
291	D	95	Very high	95.8	Very high	80 Å²	80	56.2 Å²	56.2	43%	0.428	24%	0.244	S	C	.	.			trans	-79	108.5	164	-178.5	-9.5	0	0	0	108.2	K293 K310 K311	D291-K293 IonicContact OD1-NZ 2.63Å; D291-K310 CarbonylContact O-C 3.55Å; D291-K310 WeakPolarHBondContact O-CA 3.39Å; D291-K311 HydrophobicContact CB-CB 4.39Å; D291-K311 HydrophobicContact CB-CD 4.47Å; D291-K311 VanDerWaalsContact CG-CD 3.43Å; D291-K311 WeakPolarHBondContact O-CB 3.46Å; D291-K311 PolarHBondContact O-N 2.78Å; D291-K311 WeakPolarHBondContact OD2-CD 3.39Å; D291-K311 WeakPolarHBondContact OD2-CE 3.36Å; D291-K311 IonicContact OD2-NZ 2.66Å; D291-K311 PolarHBondContact OD2-NZ 3.17Å
292	Y	98.1	Very high	95.6	Very high	21 Å²	21	56.4 Å²	56.4	8%	0.082	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.9	-178.2	-69.1	-83.4	0	0	0	112.8	P249 P250 Y253 L286 N287 G290 F308 V309 K310	P249-Y292 VanDerWaalsContact CB-OH 3.3Å; P249-Y292 WeakPolarHBondContact CB-OH 3.38Å; P250-Y292 WeakPolarHBondContact CD-OH 3.33Å; P250-Y292 WeakPolarHBondContact O-CE1 3.25Å; P250-Y292 PolarHBondContact O-OH 3.08Å; Y253-Y292 HydrophobicContact CD2-CD1 4.14Å; Y253-Y292 AromaticContact CD2-CE1 3.64Å; Y253-Y292 HydrophobicContact CD2-CE1 3.64Å; Y253-Y292 HydrophobicContact CD2-CE2 4.44Å; Y253-Y292 AromaticContact CD2-CZ 3.83Å; Y253-Y292 AromaticContact CE2-CE1 3.83Å; Y253-Y292 HydrophobicContact CE2-CE1 3.83Å; Y253-Y292 AromaticContact CE2-CE2 3.92Å; Y253-Y292 HydrophobicContact CE2-CE2 3.92Å; Y253-Y292 AromaticContact CE2-CZ 3.48Å; Y253-Y292 VanDerWaalsContact CE2-CZ 3.48Å; Y253-Y292 WeakPolarHBondContact CE2-OH 3.32Å; L286-Y292 HydrophobicContact CB-CD2 3.99Å; L286-Y292 HydrophobicContact CB-CE2 4.37Å; L286-Y292 HydrophobicContact CD1-CD1 4.49Å; L286-Y292 HydrophobicContact CD1-CD2 4.01Å; L286-Y292 HydrophobicContact CD1-CG 3.81Å; N287-Y292 WeakPolarHBondContact O-CE2 3.12Å; G290-Y292 WeakPolarHBondContact O-CD2 3.02Å; G290-Y292 WeakPolarHBondContact O-CE2 3.46Å; G290-Y292 PolarHBondContact O-N 2.99Å; Y292-F308 HydrophobicContact CD1-CB 4.43Å; Y292-V309 CarbonylContact C-O 3.58Å; Y292-V309 WeakPolarHBondContact CA-O 3.37Å; Y292-K310 HydrophobicContact CD1-CG 4.14Å; Y292-K310 HydrophobicContact CE1-CB 4.47Å; Y292-K310 HydrophobicContact CE1-CG 3.55Å
293	K	97.3	Very high	95.5	Very high	89 Å²	89	56.5 Å²	56.5	39%	0.387	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.7	168.1	-62.4	-63.9	159.8	-150.6	0	110.6	D291 I295 F308 V309 K311 K314	D291-K293 IonicContact OD1-NZ 2.63Å; K293-I295 PolarHBondContact O-N 3.48Å; K293-F308 WeakPolarHBondContact O-CA 3.3Å; K293-V309 PolarHBondContact N-O 3.01Å; K293-V309 PolarHBondContact O-N 3.4Å; K293-K311 HydrophobicContact CG-CB 4.25Å; K293-K311 HydrophobicContact CG-CG 4.28Å; K293-K314 HydrophobicContact CB-CD 4.26Å; K293-K314 HydrophobicContact CG-CD 4.5Å
294	R	97.9	Very high	95.6	Very high	93 Å²	93	52.8 Å²	52.8	35%	0.351	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	128.9	168.4	-158.6	162.7	74.4	-143.7	21.7	108.5	V279 E283 V306 F308	V279-R294 VanDerWaalsContact CG1-NH1 3.29Å; E283-R294 WeakPolarHBondContact OE1-CD 3.26Å; E283-R294 IonicContact OE1-CZ 3.85Å; E283-R294 IonicContact OE1-NE 3.46Å; E283-R294 IonicContact OE1-NH1 3.08Å; E283-R294 PolarHBondContact OE1-NH1 3.49Å; E283-R294 IonicContact OE2-NH1 2.81Å; R294-V306 HydrophobicContact CG-CG2 3.89Å; R294-F308 VanDerWaalsContact CA-CD1 3.47Å; R294-F308 HydrophobicContact CB-CD1 3.85Å; R294-F308 HydrophobicContact CB-CE1 3.5Å; R294-F308 VanDerWaalsContact CB-CE1 3.5Å; R294-F308 HydrophobicContact CB-CZ 4.29Å; R294-F308 HydrophobicContact CG-CD1 4.25Å; R294-F308 HydrophobicContact CG-CE1 3.69Å; R294-F308 HydrophobicContact CG-CZ 3.97Å
295	I	96.9	Very high	95.7	Very high	27 Å²	27	44.9 Å²	44.9	14%	0.138	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-41.5	172.1	66.2	172.1	0	0	0	110.8	K293 V307 V309 I317 L320 F343	K293-I295 PolarHBondContact O-N 3.48Å; I295-V307 HydrophobicContact CD1-CB 4.05Å; I295-V307 HydrophobicContact CD1-CG1 3.61Å; I295-V307 HydrophobicContact CG1-CB 3.77Å; I295-V307 HydrophobicContact CG1-CG1 3.79Å; I295-V307 WeakPolarHBondContact CG1-O 3.32Å; I295-V307 PolarHBondContact N-O 3.13Å; I295-V309 HydrophobicContact CG2-CB 4Å; I295-V309 HydrophobicContact CG2-CG1 3.36Å; I295-I317 HydrophobicContact CD1-CG2 4.15Å; I295-L320 HydrophobicContact CB-CD2 4.46Å; I295-L320 HydrophobicContact CD1-CD1 4.21Å; I295-L320 WeakPolarHBondContact O-CD2 3.13Å; I295-F343 HydrophobicContact CD1-CD1 4.09Å; I295-F343 HydrophobicContact CD1-CE1 4.29Å; I295-F343 HydrophobicContact CD1-CG 4.43Å
296	R	98.1	Very high	95.8	Very high	112 Å²	112	44.7 Å²	44.7	42%	0.423	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	148	-177.7	-164.7	65.4	176.6	-164.7	-1.5	110.5	V307 L320 A322 I341	R296-V307 PolarHBondContact O-N 2.89Å; R296-L320 HydrophobicContact CB-CD1 4.02Å; R296-L320 HydrophobicContact CB-CD2 4.16Å; R296-L320 HydrophobicContact CB-CG 4.4Å; R296-L320 HydrophobicContact CG-CD1 4.45Å; R296-A322 HydrophobicContact CG-CB 3.98Å; R296-I341 HydrophobicContact CB-CD1 3.8Å; R296-I341 HydrophobicContact CB-CG1 4.28Å; R296-I341 HydrophobicContact CB-CG2 4.15Å; R296-I341 HydrophobicContact CG-CD1 3.83Å; R296-I341 HydrophobicContact CG-CG1 3.94Å; R296-I341 HydrophobicContact CG-CG2 4.35Å
297	V	98.1	Very high	95.9	Very high	33 Å²	33	44.1 Å²	44.1	20%	0.2	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.3	161.7	62	0	0	0	0	107.4	V279 M304 L305 V306	V279-V297 HydrophobicContact CG2-CG2 4.18Å; V297-M304 HydrophobicContact CG2-CG 3.95Å; V297-M304 HydrophobicContact CG2-SD 4Å; V297-L305 CarbonylContact C-O 3.59Å; V297-L305 WeakPolarHBondContact CA-O 3.44Å; V297-V306 HydrophobicContact CB-CB 4.46Å; V297-V306 HydrophobicContact CB-CG2 4.21Å; V297-V306 HydrophobicContact CG2-CB 4.24Å; V297-V306 HydrophobicContact CG2-CG2 4.42Å
298	I	97.8	Very high	96.1	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.108	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.7	168.5	-177.1	161.2	0	0	0	108.9	M304 L305 A322 E323 H324 V339 I341	I298-M304 CarbonylContact O-C 3.53Å; I298-M304 VanDerWaalsContact O-CA 3.3Å; I298-M304 WeakPolarHBondContact O-CA 3.39Å; I298-L305 HydrophobicContact CG2-CB 4.03Å; I298-L305 PolarHBondContact N-O 3.05Å; I298-L305 PolarHBondContact O-N 2.78Å; I298-A322 HydrophobicContact CB-CB 4.12Å; I298-A322 HydrophobicContact CD1-CB 3.7Å; I298-A322 HydrophobicContact CG1-CB 4.48Å; I298-A322 HydrophobicContact CG2-CB 4.41Å; I298-E323 VanDerWaalsContact CD1-C 3.49Å; I298-E323 VanDerWaalsContact CD1-O 3.28Å; I298-E323 WeakPolarHBondContact CD1-O 3.43Å; I298-H324 HydrophobicContact CD1-CB 4.3Å; I298-V339 HydrophobicContact CG1-CB 4.27Å; I298-V339 HydrophobicContact CG1-CG1 4.46Å; I298-V339 HydrophobicContact CG2-CB 3.89Å; I298-V339 HydrophobicContact CG2-CG2 4.08Å; I298-I341 HydrophobicContact CG2-CD1 3.83Å; I298-I341 HydrophobicContact CG2-CG1 3.68Å
299	R	96.3	Very high	96.5	Very high	40 Å²	40	34.1 Å²	34.1	15%	0.151	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.1	175.5	-176.2	172.5	53.8	73	10.8	111.1	L270 E275 V301 M303 M304	L270-R299 VanDerWaalsContact O-CZ 3.22Å; L270-R299 PolarHBondContact O-NH1 3.48Å; L270-R299 PolarHBondContact O-NH2 3.12Å; E275-R299 IonicContact OE2-CZ 3.17Å; E275-R299 IonicContact OE2-NE 3.89Å; E275-R299 PolarHBondContact OE2-NE 2.99Å; E275-R299 IonicContact OE2-NH2 2.74Å; E275-R299 PolarHBondContact OE2-NH2 3.38Å; R299-V301 WeakPolarHBondContact CD-O 3.47Å; R299-V301 WeakPolarHBondContact CG-O 3.47Å; R299-V301 PolarHBondContact NH1-O 2.96Å; R299-M303 CarbonylContact C-O 3.59Å; R299-M303 WeakPolarHBondContact CA-O 3.42Å; R299-M303 WeakPolarHBondContact CG-O 3.42Å; R299-M304 HydrophobicContact CB-CB 4.32Å; R299-M304 HydrophobicContact CB-CG 4.41Å; R299-M304 HydrophobicContact CG-CB 4.27Å
300	L	94.5	Very high	96.9	Very high	13 Å²	13	28 Å²	28	7%	0.068	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	108.7	166.9	176.3	61.9	0	0	0	107.6	L270 G302 M303 H324 V339	L270-L300 HydrophobicContact CD2-CD1 4.22Å; L300-G302 PolarHBondContact O-N 3.45Å; L300-M303 HydrophobicContact CB-CE 4.31Å; L300-M303 HydrophobicContact CD2-CE 3.93Å; L300-M303 HydrophobicContact CG-CE 4.11Å; L300-M303 PolarHBondContact N-O 2.67Å; L300-M303 PolarHBondContact O-N 3.08Å; L300-H324 HydrophobicContact CB-CB 4.08Å; L300-H324 HydrophobicContact CD2-CB 3.99Å; L300-V339 HydrophobicContact CB-CG1 3.48Å; L300-V339 VanDerWaalsContact CB-CG1 3.48Å
301	V	93.3	Very high	97.3	Very high	10 Å²	10	32.7 Å²	32.7	6%	0.061	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-106.9	-171.2	-173	0	0	0	0	110.5	F267 L270 R299 G334	F267-V301 HydrophobicContact CB-CG1 4.27Å; F267-V301 HydrophobicContact CD2-CG1 4.32Å; L270-V301 HydrophobicContact CD2-CG2 3.94Å; R299-V301 WeakPolarHBondContact CD-O 3.47Å; R299-V301 WeakPolarHBondContact CG-O 3.47Å; R299-V301 PolarHBondContact NH1-O 2.96Å; V301-G334 WeakPolarHBondContact CB-O 3.35Å
302	G	94.3	Very high	97.3	Very high	7 Å²	7	35.5 Å²	35.5	7%	0.072	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	0.5	180	0	0	0	0	0	115	Q258 E259 L260 L300	Q258-G302 CarbonylContact C-O 3.52Å; Q258-G302 VanDerWaalsContact C-O 3.3Å; Q258-G302 WeakPolarHBondContact CA-O 3.45Å; E259-G302 PolarHBondContact N-O 3.06Å; L260-G302 WeakPolarHBondContact CB-O 3.12Å; L260-G302 PolarHBondContact N-O 2.81Å; L300-G302 PolarHBondContact O-N 3.45Å
303	M	97	Very high	97.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.1	173.1	-67.6	172.2	-76.9	0	0	109.6	F257 R299 L300 G334 V339 H356	F257-M303 WeakPolarHBondContact O-CA 3.38Å; R299-M303 CarbonylContact C-O 3.59Å; R299-M303 WeakPolarHBondContact CA-O 3.42Å; R299-M303 WeakPolarHBondContact CG-O 3.42Å; L300-M303 HydrophobicContact CB-CE 4.31Å; L300-M303 HydrophobicContact CD2-CE 3.93Å; L300-M303 HydrophobicContact CG-CE 4.11Å; L300-M303 PolarHBondContact N-O 2.67Å; L300-M303 PolarHBondContact O-N 3.08Å; M303-G334 WeakPolarHBondContact CE-O 3.38Å; M303-V339 HydrophobicContact CB-CG1 4.16Å; M303-V339 HydrophobicContact CB-CG2 4.4Å; M303-H356 HydrophobicContact CG-CB 3.67Å; M303-H356 HydrophobicContact SD-CB 3.69Å; M303-H356 PolarHBondContact SD-N 2.96Å
304	M	98.4	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.9	176.8	-179.9	176.4	74.3	0	0	110.8	G256 F257 L260 E275 W278 V279 V297 I298 R299 N354	G256-M304 CarbonylContact C-O 3.49Å; G256-M304 WeakPolarHBondContact CA-O 3.48Å; F257-M304 HydrophobicContact CB-CB 4.44Å; F257-M304 HydrophobicContact CD2-CE 3.48Å; F257-M304 VanDerWaalsContact CD2-CE 3.48Å; F257-M304 HydrophobicContact CE2-CE 3.88Å; F257-M304 HydrophobicContact CG-CE 4.27Å; F257-M304 PolarHBondContact N-O 2.9Å; F257-M304 PolarHBondContact O-N 2.95Å; L260-M304 HydrophobicContact CD1-CE 3.73Å; L260-M304 HydrophobicContact CD2-CB 4.06Å; L260-M304 HydrophobicContact CD2-CE 3.96Å; L260-M304 HydrophobicContact CD2-SD 3.73Å; E275-M304 HydrophobicContact CG-SD 3.7Å; W278-M304 HydrophobicContact CB-CE 3.87Å; V279-M304 HydrophobicContact CG2-CE 3.98Å; V279-M304 HydrophobicContact CG2-SD 3.89Å; V297-M304 HydrophobicContact CG2-CG 3.95Å; V297-M304 HydrophobicContact CG2-SD 4Å; I298-M304 CarbonylContact O-C 3.53Å; I298-M304 VanDerWaalsContact O-CA 3.3Å; I298-M304 WeakPolarHBondContact O-CA 3.39Å; R299-M304 HydrophobicContact CB-CB 4.32Å; R299-M304 HydrophobicContact CB-CG 4.41Å; R299-M304 HydrophobicContact CG-CB 4.27Å; M304-N354 PolarHBondContact O-ND2 3.18Å
305	L	98.8	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.4	169.3	178.3	67.8	0	0	0	108.8	V297 I298 V307 V339 I341 I352 N354 L399	V297-L305 CarbonylContact C-O 3.59Å; V297-L305 WeakPolarHBondContact CA-O 3.44Å; I298-L305 HydrophobicContact CG2-CB 4.03Å; I298-L305 PolarHBondContact N-O 3.05Å; I298-L305 PolarHBondContact O-N 2.78Å; L305-V307 HydrophobicContact CG-CG2 4.45Å; L305-V339 HydrophobicContact CB-CG2 3.78Å; L305-I341 HydrophobicContact CB-CD1 4.39Å; L305-I341 HydrophobicContact CD2-CB 4.02Å; L305-I341 HydrophobicContact CD2-CD1 4.07Å; L305-I341 HydrophobicContact CD2-CG1 4.05Å; L305-I341 HydrophobicContact CG-CD1 4Å; L305-I341 WeakPolarHBondContact O-CD1 3.25Å; L305-I352 HydrophobicContact CD1-CG2 4.14Å; L305-I352 HydrophobicContact CD2-CB 4.2Å; L305-I352 HydrophobicContact CD2-CG2 4.04Å; L305-I352 VanDerWaalsContact CD2-O 3.24Å; L305-I352 WeakPolarHBondContact CD2-O 3.33Å; L305-N354 HydrophobicContact CB-CB 4Å; L305-N354 HydrophobicContact CD1-CB 4.22Å; L305-N354 HydrophobicContact CG-CB 4.47Å; L305-L399 HydrophobicContact CD1-CD2 4.48Å
306	V	98.8	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.2	175.6	65	0	0	0	0	110.2	A254 V255 V279 R294 V297 F308	A254-V306 WeakPolarHBondContact CA-O 3.41Å; V255-V306 HydrophobicContact CB-CG1 4.09Å; V255-V306 PolarHBondContact N-O 3.35Å; V255-V306 PolarHBondContact O-N 2.84Å; V279-V306 HydrophobicContact CG2-CG2 4.48Å; R294-V306 HydrophobicContact CG-CG2 3.89Å; V297-V306 HydrophobicContact CB-CB 4.46Å; V297-V306 HydrophobicContact CB-CG2 4.21Å; V297-V306 HydrophobicContact CG2-CB 4.24Å; V297-V306 HydrophobicContact CG2-CG2 4.42Å; V306-F308 HydrophobicContact CB-CE2 4.2Å; V306-F308 HydrophobicContact CG1-CE2 3.8Å; V306-F308 HydrophobicContact CG2-CD2 4.22Å; V306-F308 HydrophobicContact CG2-CE2 3.41Å; V306-F308 VanDerWaalsContact CG2-CE2 3.41Å; V306-F308 HydrophobicContact CG2-CZ 3.62Å
307	V	98.8	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.1	-179.2	-173.4	0	0	0	0	110.4	I252 Y253 A254 I295 R296 L305 I341 F343 I352	I252-V307 HydrophobicContact CG2-CG1 4.04Å; Y253-V307 CarbonylContact O-C 3.59Å; Y253-V307 WeakPolarHBondContact O-CA 2.91Å; Y253-V307 WeakPolarHBondContact O-CG1 3.47Å; A254-V307 HydrophobicContact CB-CG1 4.49Å; A254-V307 HydrophobicContact CB-CG2 3.99Å; I295-V307 HydrophobicContact CD1-CB 4.05Å; I295-V307 HydrophobicContact CD1-CG1 3.61Å; I295-V307 HydrophobicContact CG1-CB 3.77Å; I295-V307 HydrophobicContact CG1-CG1 3.79Å; I295-V307 WeakPolarHBondContact CG1-O 3.32Å; I295-V307 PolarHBondContact N-O 3.13Å; R296-V307 PolarHBondContact O-N 2.89Å; L305-V307 HydrophobicContact CG-CG2 4.45Å; V307-I341 HydrophobicContact CG2-CB 4.32Å; V307-I341 HydrophobicContact CG2-CD1 3.85Å; V307-I341 HydrophobicContact CG2-CG2 4.21Å; V307-F343 HydrophobicContact CG1-CE1 4.32Å; V307-I352 HydrophobicContact CG2-CD1 4.49Å
308	F	98.8	Very high	97.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.1	176	-61.3	-91.5	0	0	0	110.5	I252 Y253 V279 V282 E283 L286 Y292 K293 R294 V306	I252-F308 WeakPolarHBondContact CA-O 3.4Å; Y253-F308 PolarHBondContact N-O 2.96Å; Y253-F308 PolarHBondContact O-N 2.61Å; V279-F308 HydrophobicContact CG1-CZ 4.49Å; V282-F308 HydrophobicContact CB-CE2 4.43Å; V282-F308 HydrophobicContact CG1-CD2 4.18Å; V282-F308 HydrophobicContact CG1-CE2 3.53Å; V282-F308 HydrophobicContact CG1-CZ 4.2Å; E283-F308 HydrophobicContact CG-CD1 4.4Å; E283-F308 HydrophobicContact CG-CE1 3.3Å; E283-F308 HydrophobicContact CG-CZ 3.44Å; E283-F308 VanDerWaalsContact CG-CZ 3.44Å; E283-F308 WeakPolarHBondContact OE1-CE1 3.5Å; L286-F308 HydrophobicContact CD1-CB 4.04Å; L286-F308 HydrophobicContact CD1-CD1 3.88Å; L286-F308 HydrophobicContact CD1-CD2 4.21Å; L286-F308 HydrophobicContact CD1-CE1 4.45Å; L286-F308 HydrophobicContact CD1-CG 3.78Å; Y292-F308 HydrophobicContact CD1-CB 4.43Å; K293-F308 WeakPolarHBondContact O-CA 3.3Å; R294-F308 VanDerWaalsContact CA-CD1 3.47Å; R294-F308 HydrophobicContact CB-CD1 3.85Å; R294-F308 HydrophobicContact CB-CE1 3.5Å; R294-F308 VanDerWaalsContact CB-CE1 3.5Å; R294-F308 HydrophobicContact CB-CZ 4.29Å; R294-F308 HydrophobicContact CG-CD1 4.25Å; R294-F308 HydrophobicContact CG-CE1 3.69Å; R294-F308 HydrophobicContact CG-CZ 3.97Å; V306-F308 HydrophobicContact CB-CE2 4.2Å; V306-F308 HydrophobicContact CG1-CE2 3.8Å; V306-F308 HydrophobicContact CG2-CD2 4.22Å; V306-F308 HydrophobicContact CG2-CE2 3.41Å; V306-F308 VanDerWaalsContact CG2-CE2 3.41Å; V306-F308 HydrophobicContact CG2-CZ 3.62Å
309	V	98.6	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.7	176.8	71.7	0	0	0	0	109.8	I252 Y292 K293 I295 K311 H313 K314 I317	I252-V309 HydrophobicContact CD1-CG2 4.35Å; I252-V309 HydrophobicContact CG1-CB 4.23Å; I252-V309 HydrophobicContact CG1-CG2 3.77Å; Y292-V309 CarbonylContact C-O 3.58Å; Y292-V309 WeakPolarHBondContact CA-O 3.37Å; K293-V309 PolarHBondContact N-O 3.01Å; K293-V309 PolarHBondContact O-N 3.4Å; I295-V309 HydrophobicContact CG2-CB 4Å; I295-V309 HydrophobicContact CG2-CG1 3.36Å; V309-K311 PolarHBondContact O-N 3.32Å; V309-H313 HydrophobicContact CG2-CB 3.7Å; V309-K314 HydrophobicContact CG1-CB 4.02Å; V309-K314 HydrophobicContact CG1-CG 4.43Å; V309-I317 HydrophobicContact CG2-CD1 4.42Å; V309-I317 HydrophobicContact CG2-CG1 4.33Å
310	K	98.3	Very high	97	Very high	24 Å²	24	43.7 Å²	43.7	10%	0.104	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	131.3	166.6	-73.7	-173.6	-176.8	116.6	0	109.2	P249 P250 D251 D291 Y292 K312 H313 K314	P249-K310 VanDerWaalsContact O-CE 3.32Å; P249-K310 WeakPolarHBondContact O-CE 3.45Å; P249-K310 PolarHBondContact O-NZ 2.94Å; P250-K310 WeakPolarHBondContact O-CE 3.41Å; P250-K310 PolarHBondContact O-NZ 2.87Å; D251-K310 VanDerWaalsContact CG-NZ 3.32Å; D251-K310 PolarHBondContact O-N 3.29Å; D251-K310 IonicContact OD1-NZ 2.69Å; D251-K310 PolarHBondContact OD1-NZ 3.4Å; D251-K310 IonicContact OD2-NZ 3.59Å; D291-K310 CarbonylContact O-C 3.55Å; D291-K310 WeakPolarHBondContact O-CA 3.39Å; Y292-K310 HydrophobicContact CD1-CG 4.14Å; Y292-K310 HydrophobicContact CE1-CB 4.47Å; Y292-K310 HydrophobicContact CE1-CG 3.55Å; K310-K312 HydrophobicContact CB-CG 4.2Å; K310-K312 PolarHBondContact O-N 3.44Å; K310-K312 VanDerWaalsContact O-N 3.08Å; K310-H313 WeakPolarHBondContact O-CB 3.44Å; K310-H313 PolarHBondContact O-N 3.23Å; K310-K314 PolarHBondContact O-N 2.8Å
311	K	97.4	Very high	97.2	Very high	113 Å²	113	43.6 Å²	43.6	49%	0.491	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-52.1	-37	-174.2	-177.4	-177.1	178.9	-172.1	0	113.8	D291 K293 V309 H313 K314	D291-K311 HydrophobicContact CB-CB 4.39Å; D291-K311 HydrophobicContact CB-CD 4.47Å; D291-K311 VanDerWaalsContact CG-CD 3.43Å; D291-K311 WeakPolarHBondContact O-CB 3.46Å; D291-K311 PolarHBondContact O-N 2.78Å; D291-K311 WeakPolarHBondContact OD2-CD 3.39Å; D291-K311 WeakPolarHBondContact OD2-CE 3.36Å; D291-K311 IonicContact OD2-NZ 2.66Å; D291-K311 PolarHBondContact OD2-NZ 3.17Å; K293-K311 HydrophobicContact CG-CB 4.25Å; K293-K311 HydrophobicContact CG-CG 4.28Å; V309-K311 PolarHBondContact O-N 3.32Å; K311-H313 PolarHBondContact O-N 2.85Å; K311-K314 WeakPolarHBondContact O-CB 3.42Å; K311-K314 PolarHBondContact O-N 3.38Å
312	K	96.9	Very high	97.4	Very high	138 Å²	138	43.9 Å²	43.9	60%	0.6	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-56.6	-31.4	175.2	59.3	167.9	179.6	171.4	0	113.7	K310	K310-K312 HydrophobicContact CB-CG 4.2Å; K310-K312 PolarHBondContact O-N 3.44Å; K310-K312 VanDerWaalsContact O-N 3.08Å
313	H	97.8	Very high	97.5	Very high	16 Å²	16	46.3 Å²	46.3	7%	0.074	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-93.2	-12.3	-177.6	-60.3	-33	0	0	0	113.2	F221 D251 V309 K310 K311 K315 H316 F345	F221-H313 AromaticContact CD1-NE2 3.8Å; F221-H313 AromaticContact CE1-CE1 3.56Å; F221-H313 AromaticContact CE1-NE2 3.79Å; D251-H313 IonicContact OD1-CD2 3.66Å; D251-H313 IonicContact OD1-CE1 3.13Å; D251-H313 IonicContact OD1-NE2 3.42Å; D251-H313 PolarHBondContact OD1-NE2 2.93Å; V309-H313 HydrophobicContact CG2-CB 3.7Å; K310-H313 WeakPolarHBondContact O-CB 3.44Å; K310-H313 PolarHBondContact O-N 3.23Å; K311-H313 PolarHBondContact O-N 2.85Å; H313-K315 PolarHBondContact O-N 3.08Å; H313-K315 VanDerWaalsContact O-N 3.13Å; H313-H316 WeakPolarHBondContact O-CB 3.46Å; H313-H316 PolarHBondContact O-N 3.24Å; H313-F345 HydrophobicContact CB-CE2 3.86Å; H313-F345 HydrophobicContact CB-CZ 4.1Å
314	K	96.9	Very high	97.6	Very high	112 Å²	112	50.5 Å²	50.5	49%	0.487	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-53.6	-37.8	-176.3	-176.1	179.1	176.7	-180	0	112.8	K293 V309 K310 K311 H316 I317	K293-K314 HydrophobicContact CB-CD 4.26Å; K293-K314 HydrophobicContact CG-CD 4.5Å; V309-K314 HydrophobicContact CG1-CB 4.02Å; V309-K314 HydrophobicContact CG1-CG 4.43Å; K310-K314 PolarHBondContact O-N 2.8Å; K311-K314 WeakPolarHBondContact O-CB 3.42Å; K311-K314 PolarHBondContact O-N 3.38Å; K314-H316 PolarHBondContact O-N 2.79Å; K314-I317 PolarHBondContact O-N 2.89Å
315	K	96.7	Very high	97.5	Very high	164 Å²	164	50.8 Å²	50.8	71%	0.713	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.9	-13.7	178.2	66.6	175.5	-177	170.2	0	114.7	H313	H313-K315 PolarHBondContact O-N 3.08Å; H313-K315 VanDerWaalsContact O-N 3.13Å
316	H	97.6	Very high	97.4	Very high	52 Å²	52	51.2 Å²	51.2	24%	0.241	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-101.4	0.2	179.3	-58.5	-62	0	0	0	113	H313 K314 F345 H346	H313-H316 WeakPolarHBondContact O-CB 3.46Å; H313-H316 PolarHBondContact O-N 3.24Å; K314-H316 PolarHBondContact O-N 2.79Å; H316-F345 HydrophobicContact CB-CD2 4Å; H316-F345 HydrophobicContact CB-CE2 3.9Å; H316-F345 WeakPolarHBondContact O-CA 3.43Å; H316-H346 AromaticContact CD2-CE1 3.35Å; H316-H346 PolarHBondContact CD2-CE1 2.97Å; H316-H346 AromaticContact CD2-NE2 3.58Å; H316-H346 AromaticContact CE1-CE1 3.71Å; H316-H346 AromaticContact CG-CE1 3.27Å; H316-H346 AromaticContact CG-ND1 3.74Å; H316-H346 AromaticContact CG-NE2 3.58Å; H316-H346 AromaticContact ND1-CE1 3.51Å; H316-H346 AromaticContact ND1-ND1 3.71Å; H316-H346 AromaticContact NE2-CE1 3.67Å; H316-H346 PolarHBondContact O-N 3.45Å
317	I	97.8	Very high	97.2	Very high	27 Å²	27	51.2 Å²	51.2	14%	0.138	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.9	171.1	-57.8	-64.7	0	0	0	108.8	I252 I295 V309 K314 F343 V344 F345	I252-I317 HydrophobicContact CD1-CD1 4.46Å; I295-I317 HydrophobicContact CD1-CG2 4.15Å; V309-I317 HydrophobicContact CG2-CD1 4.42Å; V309-I317 HydrophobicContact CG2-CG1 4.33Å; K314-I317 PolarHBondContact O-N 2.89Å; I317-F343 HydrophobicContact CD1-CD2 3.84Å; I317-F343 HydrophobicContact CD1-CE2 4.06Å; I317-F343 HydrophobicContact CG2-CB 4.02Å; I317-F343 HydrophobicContact CG2-CD2 4.48Å; I317-F343 HydrophobicContact CG2-CG 4.41Å; I317-V344 CarbonylContact C-O 3.34Å; I317-V344 WeakPolarHBondContact CA-O 2.98Å; I317-F345 HydrophobicContact CD1-CB 3.91Å; I317-F345 HydrophobicContact CD1-CD2 3.62Å; I317-F345 HydrophobicContact CD1-CE2 4.45Å; I317-F345 HydrophobicContact CD1-CG 3.95Å; I317-F345 HydrophobicContact CG1-CD2 4.48Å
318	K	95.6	Very high	96.5	Very high	114 Å²	114	51.7 Å²	51.7	50%	0.496	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	165.3	-177.5	-60.8	177.7	-177.5	174.5	0	110.7	L320 V344	K318-L320 PolarHBondContact O-N 3.17Å; K318-L320 VanDerWaalsContact O-N 3.13Å; K318-V344 HydrophobicContact CB-CB 4.36Å; K318-V344 PolarHBondContact N-O 2.88Å; K318-V344 PolarHBondContact O-N 3Å
319	E	95.4	Very high	95.7	Very high	63 Å²	63	55.1 Å²	55.1	29%	0.294	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.9	43.1	171.9	-55.6	177.1	-174.8	0	0	114.2	A321 R342 V344 L382 Y385	E319-A321 PolarHBondContact O-N 2.79Å; E319-R342 VanDerWaalsContact O-CD 3.28Å; E319-R342 WeakPolarHBondContact O-CD 3.05Å; E319-R342 PolarHBondContact O-NH1 2.82Å; E319-R342 IonicContact OE2-CZ 3.94Å; E319-R342 IonicContact OE2-NH1 3.26Å; E319-R342 PolarHBondContact OE2-NH1 3.25Å; E319-R342 IonicContact OE2-NH2 3.36Å; E319-V344 HydrophobicContact CB-CG2 4.29Å; E319-V344 HydrophobicContact CG-CG2 4.44Å; E319-V344 VanDerWaalsContact OE2-CG2 3.26Å; E319-V344 WeakPolarHBondContact OE2-CG2 3.31Å; E319-L382 HydrophobicContact CB-CD1 4.25Å; E319-L382 HydrophobicContact CB-CD2 4.43Å; E319-Y385 HydrophobicContact CG-CE2 4.29Å; E319-Y385 VanDerWaalsContact OE1-CE2 3.26Å; E319-Y385 WeakPolarHBondContact OE1-CE2 3.37Å; E319-Y385 VanDerWaalsContact OE1-CZ 3.27Å; E319-Y385 PolarHBondContact OE1-OH 2.88Å
320	L	96	Very high	94.8	Very high	61 Å²	61	60.1 Å²	60.1	32%	0.319	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.2	-177.2	178.9	67.4	0	0	0	110.5	I295 R296 K318 I341 R342 F343	I295-L320 HydrophobicContact CB-CD2 4.46Å; I295-L320 HydrophobicContact CD1-CD1 4.21Å; I295-L320 WeakPolarHBondContact O-CD2 3.13Å; R296-L320 HydrophobicContact CB-CD1 4.02Å; R296-L320 HydrophobicContact CB-CD2 4.16Å; R296-L320 HydrophobicContact CB-CG 4.4Å; R296-L320 HydrophobicContact CG-CD1 4.45Å; K318-L320 PolarHBondContact O-N 3.17Å; K318-L320 VanDerWaalsContact O-N 3.13Å; L320-I341 HydrophobicContact CD1-CG2 3.91Å; L320-R342 WeakPolarHBondContact CA-O 3.2Å; L320-F343 HydrophobicContact CD1-CB 4.03Å
321	A	97.1	Very high	93.8	Very high	11 Å²	11	59.7 Å²	59.7	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159	173.1	0	0	0	0	0	110.7	E319 R342 F380 L382	E319-A321 PolarHBondContact O-N 2.79Å; A321-R342 HydrophobicContact CB-CG 4.01Å; A321-R342 PolarHBondContact N-O 2.92Å; A321-R342 PolarHBondContact O-N 2.91Å; A321-R342 VanDerWaalsContact O-O 3.13Å; A321-F380 HydrophobicContact CB-CB 4.28Å; A321-F380 HydrophobicContact CB-CD1 4.06Å; A321-L382 HydrophobicContact CB-CD2 3.95Å
322	A	97.8	Very high	93	Very high	15 Å²	15	60.9 Å²	60.9	12%	0.124	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	136.3	178.2	0	0	0	0	0	110	R296 I298 A340 I341	R296-A322 HydrophobicContact CG-CB 3.98Å; I298-A322 HydrophobicContact CB-CB 4.12Å; I298-A322 HydrophobicContact CD1-CB 3.7Å; I298-A322 HydrophobicContact CG1-CB 4.48Å; I298-A322 HydrophobicContact CG2-CB 4.41Å; A322-A340 CarbonylContact C-O 3.56Å; A322-A340 WeakPolarHBondContact CA-O 3.48Å; A322-A340 WeakPolarHBondContact CB-O 3.46Å; A322-I341 HydrophobicContact CB-CG1 3.79Å
323	E	97.9	Very high	92.4	Very high	59 Å²	59	57.1 Å²	57.1	28%	0.276	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.7	-172.1	-69.2	-71.7	-177.2	0	0	110.5	I298 A340 M378 T379 F380 H381	I298-E323 VanDerWaalsContact CD1-C 3.49Å; I298-E323 VanDerWaalsContact CD1-O 3.28Å; I298-E323 WeakPolarHBondContact CD1-O 3.43Å; E323-A340 PolarHBondContact N-O 3.47Å; E323-A340 PolarHBondContact O-N 2.58Å; E323-M378 HydrophobicContact CB-CG 4.41Å; E323-M378 HydrophobicContact CB-SD 3.54Å; E323-M378 VanDerWaalsContact CB-SD 3.54Å; E323-T379 WeakPolarHBondContact CG-O 3.31Å; E323-F380 HydrophobicContact CB-CD1 3.91Å; E323-F380 HydrophobicContact CB-CE1 3.84Å; E323-F380 HydrophobicContact CG-CB 4.41Å; E323-F380 HydrophobicContact CG-CD1 3.42Å; E323-F380 VanDerWaalsContact CG-CD1 3.42Å; E323-F380 HydrophobicContact CG-CE1 3.9Å; E323-F380 HydrophobicContact CG-CG 4.08Å; E323-H381 IonicContact OE1-ND1 3.45Å; E323-H381 PolarHBondContact OE1-ND1 2.87Å
324	H	97.2	Very high	91.8	Very high	89 Å²	89	56.8 Å²	56.8	41%	0.412	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	152	179.8	64.8	32.2	0	0	0	113.1	I298 L300 G338 V339	I298-H324 HydrophobicContact CD1-CB 4.3Å; L300-H324 HydrophobicContact CB-CB 4.08Å; L300-H324 HydrophobicContact CD2-CB 3.99Å; H324-G338 CarbonylContact C-O 3.55Å; H324-G338 WeakPolarHBondContact CA-O 3.24Å; H324-V339 HydrophobicContact CB-CB 4.47Å; H324-V339 HydrophobicContact CB-CG1 3.89Å
325	V	97.5	Very high	91.4	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.4	176.4	174.6	0	0	0	0	108.9	T327 G337 G338 I374 R377 M378	V325-T327 HydrophobicContact CG1-CG2 3.99Å; V325-G337 CarbonylContact O-C 3.53Å; V325-G337 VanDerWaalsContact O-CA 3.28Å; V325-G337 WeakPolarHBondContact O-CA 3.39Å; V325-G338 PolarHBondContact N-O 2.67Å; V325-G338 PolarHBondContact O-N 3.32Å; V325-I374 HydrophobicContact CB-CG1 4.47Å; V325-I374 HydrophobicContact CG1-CG1 4.38Å; V325-R377 HydrophobicContact CG1-CB 4.02Å; V325-R377 HydrophobicContact CG2-CB 3.83Å; V325-M378 HydrophobicContact CB-CE 4.05Å; V325-M378 HydrophobicContact CG2-CB 3.95Å; V325-M378 HydrophobicContact CG2-CE 3.78Å; V325-M378 HydrophobicContact CG2-SD 3.97Å
326	G	96.3	Very high	91.3	Very high	8 Å²	8	47.8 Å²	47.8	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.4	168.3	0	0	0	0	0	111.5	G331 M333 K336 R377	G326-G331 VanDerWaalsContact O-O 3.06Å; G326-M333 CarbonylContact C-O 3.49Å; G326-M333 WeakPolarHBondContact CA-O 3.39Å; G326-K336 WeakPolarHBondContact CA-O 3.4Å; G326-R377 PolarHBondContact O-NH1 2.91Å; G326-R377 PolarHBondContact O-NH2 2.79Å
327	T	94.1	Very high	91.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.			trans	-123.2	10	176.6	73.2	0	0	0	0	112.7	V325 M333 K336 G337 R366 D370 D373 I374	V325-T327 HydrophobicContact CG1-CG2 3.99Å; T327-M333 PolarHBondContact N-O 3.08Å; T327-K336 PolarHBondContact N-O 2.98Å; T327-G337 VanDerWaalsContact OG1-CA 3.25Å; T327-G337 WeakPolarHBondContact OG1-CA 3.33Å; T327-G337 PolarHBondContact OG1-N 3.09Å; T327-R366 PolarHBondContact O-NH2 2.89Å; T327-D370 WeakPolarHBondContact CB-OD1 3.4Å; T327-D370 VanDerWaalsContact OG1-CG 3.28Å; T327-D370 PolarHBondContact OG1-OD1 3.3Å; T327-D370 VanDerWaalsContact OG1-OD1 3.06Å; T327-D373 HydrophobicContact CG2-CB 3.98Å; T327-I374 HydrophobicContact CG2-CG1 3.95Å
328	G	85.4	Confident	91.3	Very high	11 Å²	11	44 Å²	44	11%	0.113	22%	0.224	C	C	.	.	S	Bend	trans	-75.6	-124.8	-174.5	0	0	0	0	0	114.6	M330 G331 M333 N335 K336 R366	G328-M330 PolarHBondContact O-N 2.87Å; G328-G331 WeakPolarHBondContact O-CA 3.48Å; G328-G331 PolarHBondContact O-N 2.79Å; G328-M333 WeakPolarHBondContact CA-O 3.31Å; G328-M333 PolarHBondContact N-O 2.84Å; G328-N335 WeakPolarHBondContact CA-OD1 3.29Å; G328-K336 PolarHBondContact N-O 2.76Å; G328-R366 PolarHBondContact O-NH2 2.83Å
329	I	81.2	Confident	91.5	Very high	74 Å²	74	38.6 Å²	38.6	38%	0.379	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-54.2	134	178.7	-65.3	165	0	0	0	109.6	F267 G331 K332 M333 N335	F267-I329 HydrophobicContact CE2-CD1 4.41Å; F267-I329 HydrophobicContact CZ-CD1 4.05Å; I329-G331 PolarHBondContact O-N 2.72Å; I329-K332 PolarHBondContact O-N 3.23Å; I329-K332 VanDerWaalsContact O-N 3.13Å; I329-M333 HydrophobicContact CB-CB 3.94Å; I329-M333 HydrophobicContact CB-CG 3.81Å; I329-M333 HydrophobicContact CG2-CG 4.26Å; I329-M333 WeakPolarHBondContact O-CB 3.46Å; I329-M333 WeakPolarHBondContact O-CG 3.48Å; I329-M333 PolarHBondContact O-N 2.71Å; I329-N335 PolarHBondContact N-OD1 2.62Å
330	M	79.4	Confident	91.6	Very high	104 Å²	104	35.6 Å²	35.6	51%	0.512	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	53.9	18.3	-173.2	-63	173	170.8	0	0	115.1	L8 T14 G328 K332	L8-M330 HydrophobicContact CD2-CE 4.11Å; L8-M330 HydrophobicContact CD2-SD 4.08Å; T14-M330 WeakPolarHBondContact OG1-CE 3.33Å; G328-M330 PolarHBondContact O-N 2.87Å; M330-K332 PolarHBondContact O-N 2.88Å
331	G	78.4	Confident	91.8	Very high	16 Å²	16	32.7 Å²	32.7	17%	0.165	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	69	6.8	-175.6	0	0	0	0	0	114.5	G326 G328 I329 R377	G326-G331 VanDerWaalsContact O-O 3.06Å; G328-G331 WeakPolarHBondContact O-CA 3.48Å; G328-G331 PolarHBondContact O-N 2.79Å; I329-G331 PolarHBondContact O-N 2.72Å; G331-R377 PolarHBondContact O-NH1 2.84Å
332	K	79.3	Confident	91.8	Very high	137 Å²	137	32.4 Å²	32.4	60%	0.596	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-32.4	-174.1	-66.1	-177.9	-178.8	-179.9	0	113.4	E7 I329 M330	E7-K332 IonicContact OE2-NZ 2.8Å; I329-K332 PolarHBondContact O-N 3.23Å; I329-K332 VanDerWaalsContact O-N 3.13Å; M330-K332 PolarHBondContact O-N 2.88Å
333	M	85.6	Confident	91.8	Very high	59 Å²	59	31.7 Å²	31.7	29%	0.291	16%	0.163	S	C	.	.	S	Bend	trans	-71.6	151.6	-174.1	-66.6	-64.6	-173.2	0	0	113.5	F17 F267 G326 T327 G328 I329 N335	F17-M333 HydrophobicContact CE1-CE 4.35Å; F17-M333 HydrophobicContact CZ-CE 3.94Å; F267-M333 HydrophobicContact CE2-CB 4.46Å; F267-M333 HydrophobicContact CZ-CB 4.44Å; F267-M333 HydrophobicContact CZ-CG 4.4Å; G326-M333 CarbonylContact C-O 3.49Å; G326-M333 WeakPolarHBondContact CA-O 3.39Å; T327-M333 PolarHBondContact N-O 3.08Å; G328-M333 WeakPolarHBondContact CA-O 3.31Å; G328-M333 PolarHBondContact N-O 2.84Å; I329-M333 HydrophobicContact CB-CB 3.94Å; I329-M333 HydrophobicContact CB-CG 3.81Å; I329-M333 HydrophobicContact CG2-CG 4.26Å; I329-M333 WeakPolarHBondContact O-CB 3.46Å; I329-M333 WeakPolarHBondContact O-CG 3.48Å; I329-M333 PolarHBondContact O-N 2.71Å; M333-N335 PolarHBondContact O-N 3.08Å
334	G	84.3	Confident	91.8	Very high	9 Å²	9	29.8 Å²	29.8	9%	0.093	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	4	-172	0	0	0	0	0	117	V301 M303 K336	V301-G334 WeakPolarHBondContact CB-O 3.35Å; M303-G334 WeakPolarHBondContact CE-O 3.38Å; G334-K336 PolarHBondContact O-N 2.85Å
335	N	88.7	Confident	91.9	Very high	50 Å²	50	25.5 Å²	25.5	27%	0.267	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.6	178.3	65	-62	0	0	0	114.4	F267 G328 I329 M333	F267-N335 HydrophobicContact CD2-CB 4.03Å; F267-N335 HydrophobicContact CE2-CB 3.8Å; G328-N335 WeakPolarHBondContact CA-OD1 3.29Å; I329-N335 PolarHBondContact N-OD1 2.62Å; M333-N335 PolarHBondContact O-N 3.08Å
336	K	94.9	Very high	91.9	Very high	37 Å²	37	26.3 Å²	26.3	16%	0.161	14%	0.138	C	C	.	.	S	Bend	trans	-145.2	161.4	169.2	-63.1	-67.8	-178.8	-105.2	0	108	G326 T327 G328 G334 H356 L357	G326-K336 WeakPolarHBondContact CA-O 3.4Å; T327-K336 PolarHBondContact N-O 2.98Å; G328-K336 PolarHBondContact N-O 2.76Å; G334-K336 PolarHBondContact O-N 2.85Å; K336-H356 CarbonylContact C-O 3.58Å; K336-H356 VanDerWaalsContact CA-O 3.28Å; K336-H356 WeakPolarHBondContact CA-O 3.36Å; K336-H356 WeakPolarHBondContact CB-O 3.49Å; K336-H356 HydrophobicContact CD-CB 4.45Å; K336-H356 VanDerWaalsContact CD-CD2 3.47Å; K336-H356 WeakPolarHBondContact CD-CD2 3.44Å; K336-H356 VanDerWaalsContact CD-O 3.28Å; K336-H356 WeakPolarHBondContact CD-O 3.45Å; K336-H356 VanDerWaalsContact CE-NE2 3.33Å; K336-H356 WeakPolarHBondContact CE-NE2 3.34Å; K336-H356 PolarHBondContact NZ-CD2 3.38Å; K336-H356 PolarHBondContact NZ-CE1 3.05Å; K336-H356 PolarHBondContact NZ-NE2 3.11Å; K336-L357 WeakPolarHBondContact CD-O 3.42Å
337	G	97.4	Very high	91.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.7	-138.5	-178.8	0	0	0	0	0	111.1	V325 T327 C355 H356	V325-G337 CarbonylContact O-C 3.53Å; V325-G337 VanDerWaalsContact O-CA 3.28Å; V325-G337 WeakPolarHBondContact O-CA 3.39Å; T327-G337 VanDerWaalsContact OG1-CA 3.25Å; T327-G337 WeakPolarHBondContact OG1-CA 3.33Å; T327-G337 PolarHBondContact OG1-N 3.09Å; G337-C355 CarbonylContact O-C 3.45Å; G337-C355 WeakPolarHBondContact O-CA 3.49Å; G337-C355 WeakPolarHBondContact O-CB 3.49Å; G337-H356 PolarHBondContact N-O 3.35Å; G337-H356 PolarHBondContact O-N 3.48Å
338	G	98.1	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161.9	177.9	0	0	0	0	0	115.2	H324 V325 N354	H324-G338 CarbonylContact C-O 3.55Å; H324-G338 WeakPolarHBondContact CA-O 3.24Å; V325-G338 PolarHBondContact N-O 2.67Å; V325-G338 PolarHBondContact O-N 3.32Å; G338-N354 CarbonylContact C-O 3.58Å; G338-N354 WeakPolarHBondContact CA-O 3.26Å
339	V	98.7	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.4	171.8	-59	0	0	0	0	108.6	I298 L300 M303 L305 H324 N354	I298-V339 HydrophobicContact CG1-CB 4.27Å; I298-V339 HydrophobicContact CG1-CG1 4.46Å; I298-V339 HydrophobicContact CG2-CB 3.89Å; I298-V339 HydrophobicContact CG2-CG2 4.08Å; L300-V339 HydrophobicContact CB-CG1 3.48Å; L300-V339 VanDerWaalsContact CB-CG1 3.48Å; M303-V339 HydrophobicContact CB-CG1 4.16Å; M303-V339 HydrophobicContact CB-CG2 4.4Å; L305-V339 HydrophobicContact CB-CG2 3.78Å; H324-V339 HydrophobicContact CB-CB 4.47Å; H324-V339 HydrophobicContact CB-CG1 3.89Å; V339-N354 HydrophobicContact CG2-CB 3.94Å; V339-N354 PolarHBondContact N-O 2.95Å; V339-N354 PolarHBondContact O-N 2.82Å
340	A	98.8	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.8	-176.1	0	0	0	0	0	112.1	A322 E323 I352 V353 M378 F380	A322-A340 CarbonylContact C-O 3.56Å; A322-A340 WeakPolarHBondContact CA-O 3.48Å; A322-A340 WeakPolarHBondContact CB-O 3.46Å; E323-A340 PolarHBondContact N-O 3.47Å; E323-A340 PolarHBondContact O-N 2.58Å; A340-I352 CarbonylContact C-O 3.51Å; A340-I352 WeakPolarHBondContact CA-O 3.18Å; A340-V353 HydrophobicContact CB-CB 4.41Å; A340-V353 HydrophobicContact CB-CG1 4.44Å; A340-V353 HydrophobicContact CB-CG2 3.99Å; A340-M378 HydrophobicContact CB-CE 4.08Å; A340-M378 HydrophobicContact CB-CG 4.25Å; A340-M378 HydrophobicContact CB-SD 4.02Å; A340-F380 HydrophobicContact CB-CE1 4.18Å; A340-F380 HydrophobicContact CB-CZ 3.7Å
341	I	98.8	Very high	94.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.1	171.2	-70.1	166.3	0	0	0	107.6	R296 I298 L305 V307 L320 A322 F343 I352	R296-I341 HydrophobicContact CB-CD1 3.8Å; R296-I341 HydrophobicContact CB-CG1 4.28Å; R296-I341 HydrophobicContact CB-CG2 4.15Å; R296-I341 HydrophobicContact CG-CD1 3.83Å; R296-I341 HydrophobicContact CG-CG1 3.94Å; R296-I341 HydrophobicContact CG-CG2 4.35Å; I298-I341 HydrophobicContact CG2-CD1 3.83Å; I298-I341 HydrophobicContact CG2-CG1 3.68Å; L305-I341 HydrophobicContact CB-CD1 4.39Å; L305-I341 HydrophobicContact CD2-CB 4.02Å; L305-I341 HydrophobicContact CD2-CD1 4.07Å; L305-I341 HydrophobicContact CD2-CG1 4.05Å; L305-I341 HydrophobicContact CG-CD1 4Å; L305-I341 WeakPolarHBondContact O-CD1 3.25Å; V307-I341 HydrophobicContact CG2-CB 4.32Å; V307-I341 HydrophobicContact CG2-CD1 3.85Å; V307-I341 HydrophobicContact CG2-CG2 4.21Å; L320-I341 HydrophobicContact CD1-CG2 3.91Å; A322-I341 HydrophobicContact CB-CG1 3.79Å; I341-F343 HydrophobicContact CG2-CD1 4.17Å; I341-I352 PolarHBondContact N-O 2.87Å; I341-I352 PolarHBondContact O-N 3.4Å
342	R	98.3	Very high	95.3	Very high	6 Å²	6	20.1 Å²	20.1	2%	0.023	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.3	172.1	76.9	80.2	58.1	179.1	6.1	111.3	E319 L320 A321 F350 C351 F380 H393	E319-R342 VanDerWaalsContact O-CD 3.28Å; E319-R342 WeakPolarHBondContact O-CD 3.05Å; E319-R342 PolarHBondContact O-NH1 2.82Å; E319-R342 IonicContact OE2-CZ 3.94Å; E319-R342 IonicContact OE2-NH1 3.26Å; E319-R342 PolarHBondContact OE2-NH1 3.25Å; E319-R342 IonicContact OE2-NH2 3.36Å; L320-R342 WeakPolarHBondContact CA-O 3.2Å; A321-R342 HydrophobicContact CB-CG 4.01Å; A321-R342 PolarHBondContact N-O 2.92Å; A321-R342 PolarHBondContact O-N 2.91Å; A321-R342 VanDerWaalsContact O-O 3.13Å; R342-F350 CarbonylContact C-O 3.54Å; R342-F350 WeakPolarHBondContact CA-O 3.39Å; R342-F350 WeakPolarHBondContact CB-O 3.38Å; R342-C351 HydrophobicContact CB-CB 4.31Å; R342-F380 HydrophobicContact CB-CD1 4.28Å; R342-F380 HydrophobicContact CB-CD2 4.35Å; R342-F380 HydrophobicContact CB-CE1 4.06Å; R342-F380 HydrophobicContact CB-CE2 4.14Å; R342-F380 HydrophobicContact CB-CG 4.43Å; R342-F380 HydrophobicContact CB-CZ 3.99Å; R342-F380 HydrophobicContact CG-CB 4.12Å; R342-F380 HydrophobicContact CG-CD1 3.52Å; R342-F380 HydrophobicContact CG-CD2 3.86Å; R342-F380 HydrophobicContact CG-CE1 3.81Å; R342-F380 HydrophobicContact CG-CE2 4.13Å; R342-F380 HydrophobicContact CG-CG 3.56Å; R342-F380 HydrophobicContact CG-CZ 4.11Å; R342-H393 PolarHBondContact NE-NE2 2.88Å; R342-H393 PolarHBondContact NH2-NE2 2.68Å
343	F	98.3	Very high	96.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160.7	175.3	54.1	-89.1	0	0	0	110.2	I252 I295 V307 I317 L320 I341 F345 F350 I352	I252-F343 HydrophobicContact CD1-CE2 4.16Å; I252-F343 HydrophobicContact CD1-CZ 4.32Å; I295-F343 HydrophobicContact CD1-CD1 4.09Å; I295-F343 HydrophobicContact CD1-CE1 4.29Å; I295-F343 HydrophobicContact CD1-CG 4.43Å; V307-F343 HydrophobicContact CG1-CE1 4.32Å; I317-F343 HydrophobicContact CD1-CD2 3.84Å; I317-F343 HydrophobicContact CD1-CE2 4.06Å; I317-F343 HydrophobicContact CG2-CB 4.02Å; I317-F343 HydrophobicContact CG2-CD2 4.48Å; I317-F343 HydrophobicContact CG2-CG 4.41Å; L320-F343 HydrophobicContact CD1-CB 4.03Å; I341-F343 HydrophobicContact CG2-CD1 4.17Å; F343-F345 HydrophobicContact CD2-CB 4.11Å; F343-F345 HydrophobicContact CE2-CB 4.05Å; F343-F350 HydrophobicContact CD2-CB 4.13Å; F343-F350 HydrophobicContact CD2-CD2 4.32Å; F343-F350 HydrophobicContact CE1-CB 4.17Å; F343-F350 HydrophobicContact CE2-CB 3.75Å; F343-F350 AromaticContact CE2-CD2 3.84Å; F343-F350 HydrophobicContact CE2-CD2 3.84Å; F343-F350 AromaticContact CE2-CG 3.87Å; F343-F350 HydrophobicContact CE2-CG 3.87Å; F343-F350 HydrophobicContact CG-CB 4.49Å; F343-F350 HydrophobicContact CZ-CB 3.77Å; F343-F350 HydrophobicContact CZ-CG 4.11Å; F343-F350 PolarHBondContact N-O 3.4Å; F343-F350 PolarHBondContact O-N 2.81Å; F343-I352 HydrophobicContact CE1-CD1 4.02Å; F343-I352 HydrophobicContact CE1-CG1 4.46Å; F343-I352 HydrophobicContact CZ-CD1 4.25Å
344	V	98	Very high	96.9	Very high	18 Å²	18	10.8 Å²	10.8	11%	0.109	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.5	163.9	177.9	0	0	0	0	108.1	I317 K318 E319 H346 T348	I317-V344 CarbonylContact C-O 3.34Å; I317-V344 WeakPolarHBondContact CA-O 2.98Å; K318-V344 HydrophobicContact CB-CB 4.36Å; K318-V344 PolarHBondContact N-O 2.88Å; K318-V344 PolarHBondContact O-N 3Å; E319-V344 HydrophobicContact CB-CG2 4.29Å; E319-V344 HydrophobicContact CG-CG2 4.44Å; E319-V344 VanDerWaalsContact OE2-CG2 3.26Å; E319-V344 WeakPolarHBondContact OE2-CG2 3.31Å; V344-H346 VanDerWaalsContact CG1-O 3.3Å; V344-H346 WeakPolarHBondContact CG1-O 3.19Å; V344-T348 WeakPolarHBondContact CA-O 3.49Å
345	F	98.4	Very high	97.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.2	170.8	179.9	-139.6	0	0	0	108.4	F221 F223 I252 H313 H316 I317 F343 N347 T348 F350 V514	F221-F345 HydrophobicContact CB-CE1 4.13Å; F221-F345 AromaticContact CD1-CE1 3.74Å; F221-F345 HydrophobicContact CD1-CE1 3.74Å; F221-F345 AromaticContact CD1-CZ 3.76Å; F221-F345 HydrophobicContact CD1-CZ 3.76Å; F221-F345 AromaticContact CD2-CE1 3.92Å; F221-F345 HydrophobicContact CD2-CE1 3.92Å; F221-F345 HydrophobicContact CD2-CZ 4.49Å; F221-F345 HydrophobicContact CE1-CE1 4.05Å; F221-F345 AromaticContact CE1-CZ 3.7Å; F221-F345 HydrophobicContact CE1-CZ 3.7Å; F221-F345 HydrophobicContact CE2-CE1 4.21Å; F221-F345 HydrophobicContact CE2-CZ 4.43Å; F221-F345 AromaticContact CG-CE1 3.66Å; F221-F345 HydrophobicContact CG-CE1 3.66Å; F221-F345 HydrophobicContact CG-CZ 4.16Å; F221-F345 HydrophobicContact CZ-CE1 4.27Å; F221-F345 HydrophobicContact CZ-CZ 4.05Å; F223-F345 HydrophobicContact CZ-CD1 4.24Å; I252-F345 HydrophobicContact CD1-CD1 4.09Å; I252-F345 HydrophobicContact CD1-CE1 4.31Å; I252-F345 HydrophobicContact CD1-CG 4.45Å; H313-F345 HydrophobicContact CB-CE2 3.86Å; H313-F345 HydrophobicContact CB-CZ 4.1Å; H316-F345 HydrophobicContact CB-CD2 4Å; H316-F345 HydrophobicContact CB-CE2 3.9Å; H316-F345 WeakPolarHBondContact O-CA 3.43Å; I317-F345 HydrophobicContact CD1-CB 3.91Å; I317-F345 HydrophobicContact CD1-CD2 3.62Å; I317-F345 HydrophobicContact CD1-CE2 4.45Å; I317-F345 HydrophobicContact CD1-CG 3.95Å; I317-F345 HydrophobicContact CG1-CD2 4.48Å; F343-F345 HydrophobicContact CD2-CB 4.11Å; F343-F345 HydrophobicContact CE2-CB 4.05Å; F345-N347 PolarHBondContact O-N 3.01Å; F345-N347 VanDerWaalsContact O-N 3.08Å; F345-T348 PolarHBondContact N-O 3.26Å; F345-T348 PolarHBondContact O-N 2.96Å; F345-F350 HydrophobicContact CB-CD2 4.1Å; F345-F350 HydrophobicContact CB-CE2 3.97Å; F345-F350 HydrophobicContact CD1-CE2 4.46Å; F345-V514 HydrophobicContact CD1-CG1 4.04Å; F345-V514 HydrophobicContact CD1-CG2 3.85Å; F345-V514 HydrophobicContact CE1-CG1 4.42Å; F345-V514 HydrophobicContact CE1-CG2 4.13Å; F345-V514 VanDerWaalsContact O-CG1 3.32Å; F345-V514 WeakPolarHBondContact O-CG1 3.35Å
346	H	96.9	Very high	98	Very high	23 Å²	23	8.1 Å²	8.1	11%	0.106	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-106.9	-163.7	-63.2	-95.2	0	0	0	112	F221 H316 V344 V514 K515 V516	F221-H346 AromaticContact CZ-NE2 3.92Å; H316-H346 AromaticContact CD2-CE1 3.35Å; H316-H346 PolarHBondContact CD2-CE1 2.97Å; H316-H346 AromaticContact CD2-NE2 3.58Å; H316-H346 AromaticContact CE1-CE1 3.71Å; H316-H346 AromaticContact CG-CE1 3.27Å; H316-H346 AromaticContact CG-ND1 3.74Å; H316-H346 AromaticContact CG-NE2 3.58Å; H316-H346 AromaticContact ND1-CE1 3.51Å; H316-H346 AromaticContact ND1-ND1 3.71Å; H316-H346 AromaticContact NE2-CE1 3.67Å; H316-H346 PolarHBondContact O-N 3.45Å; V344-H346 VanDerWaalsContact CG1-O 3.3Å; V344-H346 WeakPolarHBondContact CG1-O 3.19Å; H346-V514 HydrophobicContact CB-CG1 3.94Å; H346-K515 WeakPolarHBondContact CB-O 3.31Å; H346-V516 HydrophobicContact CB-CG2 4.31Å
347	N	95	Very high	98.2	Very high	59 Å²	59	6.4 Å²	6.4	32%	0.316	4%	0.035	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	24	176.3	-77.5	35.6	0	0	0	112.5	F345 K515 V517	F345-N347 PolarHBondContact O-N 3.01Å; F345-N347 VanDerWaalsContact O-N 3.08Å; N347-K515 HydrophobicContact CB-CB 3.74Å; N347-K515 HydrophobicContact CB-CD 4.48Å; N347-K515 WeakPolarHBondContact CB-O 3.12Å; N347-K515 PolarHBondContact N-O 2.97Å; N347-V517 VanDerWaalsContact ND2-CG2 3.3Å; N347-V517 WeakPolarHBondContact ND2-CG2 3.4Å
348	T	98	Very high	98.2	Very high	7 Å²	7	7 Å²	7	4%	0.043	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.3	175.7	-58.4	0	0	0	0	110.4	V344 F345 F350 D394 V395 K515	V344-T348 WeakPolarHBondContact CA-O 3.49Å; F345-T348 PolarHBondContact N-O 3.26Å; F345-T348 PolarHBondContact O-N 2.96Å; T348-F350 HydrophobicContact CG2-CD2 4.34Å; T348-F350 HydrophobicContact CG2-CE2 3.66Å; T348-F350 HydrophobicContact CG2-CZ 3.98Å; T348-F350 WeakPolarHBondContact O-CD2 3.38Å; T348-D394 HydrophobicContact CG2-CB 3.83Å; T348-V395 HydrophobicContact CG2-CG2 4.28Å; T348-K515 PolarHBondContact OG1-N 2.94Å
349	S	98	Very high	98	Very high	16 Å²	16	8.3 Å²	8.3	11%	0.112	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.6	-179.1	65.4	0	0	0	0	111.8	H393 D394 V395	S349-H393 WeakPolarHBondContact OG-CA 3.22Å; S349-D394 WeakPolarHBondContact CB-OD2 3.22Å; S349-D394 PolarHBondContact N-OD2 2.86Å; S349-D394 PolarHBondContact O-N 2.85Å; S349-D394 PolarHBondContact OG-N 2.91Å; S349-D394 PolarHBondContact OG-OD2 2.93Å; S349-V395 PolarHBondContact O-N 3.33Å
350	F	98.8	Very high	97.7	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140	-178.1	-72	-94	0	0	0	110.4	F223 R342 F343 F345 T348 H393 V395 I512 V514	F223-F350 AromaticContact CE1-CD1 3.95Å; F223-F350 HydrophobicContact CE1-CD1 3.95Å; F223-F350 AromaticContact CE1-CE1 3.64Å; F223-F350 HydrophobicContact CE1-CE1 3.64Å; F223-F350 HydrophobicContact CE1-CZ 4.06Å; F223-F350 HydrophobicContact CE2-CE1 4.22Å; F223-F350 HydrophobicContact CE2-CZ 4.13Å; F223-F350 HydrophobicContact CZ-CD1 4.17Å; F223-F350 AromaticContact CZ-CE1 3.46Å; F223-F350 HydrophobicContact CZ-CE1 3.46Å; F223-F350 VanDerWaalsContact CZ-CE1 3.46Å; F223-F350 HydrophobicContact CZ-CE2 4.1Å; F223-F350 AromaticContact CZ-CZ 3.42Å; F223-F350 HydrophobicContact CZ-CZ 3.42Å; F223-F350 VanDerWaalsContact CZ-CZ 3.42Å; R342-F350 CarbonylContact C-O 3.54Å; R342-F350 WeakPolarHBondContact CA-O 3.39Å; R342-F350 WeakPolarHBondContact CB-O 3.38Å; F343-F350 HydrophobicContact CD2-CB 4.13Å; F343-F350 HydrophobicContact CD2-CD2 4.32Å; F343-F350 HydrophobicContact CE1-CB 4.17Å; F343-F350 HydrophobicContact CE2-CB 3.75Å; F343-F350 AromaticContact CE2-CD2 3.84Å; F343-F350 HydrophobicContact CE2-CD2 3.84Å; F343-F350 AromaticContact CE2-CG 3.87Å; F343-F350 HydrophobicContact CE2-CG 3.87Å; F343-F350 HydrophobicContact CG-CB 4.49Å; F343-F350 HydrophobicContact CZ-CB 3.77Å; F343-F350 HydrophobicContact CZ-CG 4.11Å; F343-F350 PolarHBondContact N-O 3.4Å; F343-F350 PolarHBondContact O-N 2.81Å; F345-F350 HydrophobicContact CB-CD2 4.1Å; F345-F350 HydrophobicContact CB-CE2 3.97Å; F345-F350 HydrophobicContact CD1-CE2 4.46Å; T348-F350 HydrophobicContact CG2-CD2 4.34Å; T348-F350 HydrophobicContact CG2-CE2 3.66Å; T348-F350 HydrophobicContact CG2-CZ 3.98Å; T348-F350 WeakPolarHBondContact O-CD2 3.38Å; F350-H393 PolarHBondContact O-CD2 2.97Å; F350-V395 CarbonylContact C-O 3.57Å; F350-V395 VanDerWaalsContact CA-O 3.31Å; F350-V395 WeakPolarHBondContact CA-O 3.24Å; F350-V395 HydrophobicContact CD1-CB 3.76Å; F350-V395 HydrophobicContact CD1-CG1 3.9Å; F350-V395 HydrophobicContact CD1-CG2 4.5Å; F350-V395 HydrophobicContact CE1-CB 3.76Å; F350-V395 HydrophobicContact CE1-CG1 3.84Å; F350-V395 HydrophobicContact CE1-CG2 4.04Å; F350-V395 HydrophobicContact CZ-CB 4.5Å; F350-V395 HydrophobicContact CZ-CG2 4.39Å; F350-I512 HydrophobicContact CE1-CD1 4.06Å; F350-I512 HydrophobicContact CE1-CG2 4.04Å; F350-I512 HydrophobicContact CZ-CG2 4.01Å; F350-V514 HydrophobicContact CE2-CG2 4.19Å; F350-V514 HydrophobicContact CZ-CG2 3.94Å
351	C	98.7	Very high	97.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	121	164.3	-174.3	0	0	0	0	109.2	R342 H393 V395 V396 I397	R342-C351 HydrophobicContact CB-CB 4.31Å; C351-H393 HydrophobicContact CB-CB 4.03Å; C351-V395 PolarHBondContact N-O 2.98Å; C351-V396 HydrophobicContact CB-CG2 4.44Å; C351-V396 CarbonylContact O-C 3.49Å; C351-V396 VanDerWaalsContact O-CA 3.31Å; C351-V396 WeakPolarHBondContact O-CA 3.28Å; C351-I397 PolarHBondContact O-N 2.9Å
352	I	98.9	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.1	177.7	-51.8	-178.4	0	0	0	107.5	I225 A254 L305 V307 A340 I341 F343 I397 L399	I225-I352 HydrophobicContact CD1-CD1 4.47Å; A254-I352 HydrophobicContact CB-CD1 3.56Å; A254-I352 HydrophobicContact CB-CG2 4.08Å; L305-I352 HydrophobicContact CD1-CG2 4.14Å; L305-I352 HydrophobicContact CD2-CB 4.2Å; L305-I352 HydrophobicContact CD2-CG2 4.04Å; L305-I352 VanDerWaalsContact CD2-O 3.24Å; L305-I352 WeakPolarHBondContact CD2-O 3.33Å; V307-I352 HydrophobicContact CG2-CD1 4.49Å; A340-I352 CarbonylContact C-O 3.51Å; A340-I352 WeakPolarHBondContact CA-O 3.18Å; I341-I352 PolarHBondContact N-O 2.87Å; I341-I352 PolarHBondContact O-N 3.4Å; F343-I352 HydrophobicContact CE1-CD1 4.02Å; F343-I352 HydrophobicContact CE1-CG1 4.46Å; F343-I352 HydrophobicContact CZ-CD1 4.25Å; I352-I397 CarbonylContact C-O 3.6Å; I352-I397 WeakPolarHBondContact CA-O 3.47Å; I352-L399 HydrophobicContact CG2-CD2 3.93Å
353	V	98.9	Very high	97.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.6	-176.5	-173.8	0	0	0	0	108.6	A340 I374 I390 I397 W398 L399	A340-V353 HydrophobicContact CB-CB 4.41Å; A340-V353 HydrophobicContact CB-CG1 4.44Å; A340-V353 HydrophobicContact CB-CG2 3.99Å; V353-I374 HydrophobicContact CG1-CG2 4.36Å; V353-I390 HydrophobicContact CG2-CD1 3.96Å; V353-I390 HydrophobicContact CG2-CG1 4.2Å; V353-I390 HydrophobicContact CG2-CG2 4.03Å; V353-I397 PolarHBondContact N-O 2.99Å; V353-W398 HydrophobicContact CB-CD2 3.87Å; V353-W398 HydrophobicContact CB-CE3 4.12Å; V353-W398 HydrophobicContact CB-CG 4.1Å; V353-W398 HydrophobicContact CG1-CD2 3.89Å; V353-W398 HydrophobicContact CG1-CE3 4.25Å; V353-W398 HydrophobicContact CG1-CG 4.4Å; V353-W398 HydrophobicContact CG1-CH2 4.29Å; V353-W398 HydrophobicContact CG1-CZ2 3.9Å; V353-W398 HydrophobicContact CG1-CZ3 4.44Å; V353-W398 HydrophobicContact CG2-CD2 4.34Å; V353-W398 HydrophobicContact CG2-CE3 4.07Å; V353-W398 HydrophobicContact CG2-CZ3 4.4Å; V353-W398 WeakPolarHBondContact O-CA 3.43Å; V353-L399 PolarHBondContact O-N 2.87Å
354	N	98.9	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.4	165.2	178.4	21.7	0	0	0	109	G256 F257 Q258 M304 L305 G338 V339 L399	G256-N354 WeakPolarHBondContact CA-ND2 3.37Å; F257-N354 PolarHBondContact N-ND2 2.84Å; F257-N354 PolarHBondContact O-ND2 3.04Å; Q258-N354 PolarHBondContact NE2-OD1 3.3Å; M304-N354 PolarHBondContact O-ND2 3.18Å; L305-N354 HydrophobicContact CB-CB 4Å; L305-N354 HydrophobicContact CD1-CB 4.22Å; L305-N354 HydrophobicContact CG-CB 4.47Å; G338-N354 CarbonylContact C-O 3.58Å; G338-N354 WeakPolarHBondContact CA-O 3.26Å; V339-N354 HydrophobicContact CG2-CB 3.94Å; V339-N354 PolarHBondContact N-O 2.95Å; V339-N354 PolarHBondContact O-N 2.82Å; N354-L399 CarbonylContact C-O 3.57Å; N354-L399 VanDerWaalsContact CA-O 3.3Å; N354-L399 WeakPolarHBondContact CA-O 3.37Å; N354-L399 HydrophobicContact CB-CD1 3.74Å; N354-L399 HydrophobicContact CB-CG 4.44Å
355	C	98.4	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.3	175.1	67.3	0	0	0	0	114.2	Q258 G337 L357 I374 W398 L399 G400 D401 L402	Q258-C355 WeakPolarHBondContact CG-O 3.34Å; G337-C355 CarbonylContact O-C 3.45Å; G337-C355 WeakPolarHBondContact O-CA 3.49Å; G337-C355 WeakPolarHBondContact O-CB 3.49Å; C355-L357 HydrophobicContact CB-CD2 3.99Å; C355-I374 HydrophobicContact CB-CD1 4.06Å; C355-W398 PolarHBondContact SG-NE1 2.99Å; C355-L399 PolarHBondContact N-O 3.29Å; C355-G400 VanDerWaalsContact O-CA 3.29Å; C355-G400 WeakPolarHBondContact O-CA 3.42Å; C355-D401 PolarHBondContact O-N 3.34Å; C355-D401 VanDerWaalsContact O-N 3.17Å; C355-L402 WeakPolarHBondContact SG-CD2 3.47Å
356	H	98.6	Very high	97	Very high	4 Å²	4	33 Å²	33	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	101.7	167.6	-173.2	165.5	0	0	0	107.1	Q258 E259 M303 K336 G337 D401 N403	Q258-H356 HydrophobicContact CB-CB 4.2Å; Q258-H356 HydrophobicContact CG-CB 4Å; E259-H356 VanDerWaalsContact CG-CE1 3.46Å; E259-H356 WeakPolarHBondContact CG-CE1 3.26Å; E259-H356 IonicContact OE1-CE1 3.71Å; E259-H356 PolarHBondContact OE1-CE1 2.67Å; E259-H356 VanDerWaalsContact OE1-CE1 3.25Å; E259-H356 IonicContact OE1-NE2 2.87Å; M303-H356 HydrophobicContact CG-CB 3.67Å; M303-H356 HydrophobicContact SD-CB 3.69Å; M303-H356 PolarHBondContact SD-N 2.96Å; K336-H356 CarbonylContact C-O 3.58Å; K336-H356 VanDerWaalsContact CA-O 3.28Å; K336-H356 WeakPolarHBondContact CA-O 3.36Å; K336-H356 WeakPolarHBondContact CB-O 3.49Å; K336-H356 HydrophobicContact CD-CB 4.45Å; K336-H356 VanDerWaalsContact CD-CD2 3.47Å; K336-H356 WeakPolarHBondContact CD-CD2 3.44Å; K336-H356 VanDerWaalsContact CD-O 3.28Å; K336-H356 WeakPolarHBondContact CD-O 3.45Å; K336-H356 VanDerWaalsContact CE-NE2 3.33Å; K336-H356 WeakPolarHBondContact CE-NE2 3.34Å; K336-H356 PolarHBondContact NZ-CD2 3.38Å; K336-H356 PolarHBondContact NZ-CE1 3.05Å; K336-H356 PolarHBondContact NZ-NE2 3.11Å; G337-H356 PolarHBondContact N-O 3.35Å; G337-H356 PolarHBondContact O-N 3.48Å; H356-D401 WeakPolarHBondContact CA-O 3.29Å; H356-D401 IonicContact CD2-OD2 2.9Å; H356-D401 IonicContact NE2-OD2 3.67Å; H356-N403 PolarHBondContact CD2-ND2 2.74Å; H356-N403 PolarHBondContact NE2-ND2 3.21Å
357	L	98.4	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.			trans	-87.1	165	-176.5	-49.8	-175.9	0	0	0	111.7	K336 C355 A359 R367 D370 I374 D401 L402 N403 Y404 F442	K336-L357 WeakPolarHBondContact CD-O 3.42Å; C355-L357 HydrophobicContact CB-CD2 3.99Å; L357-A359 PolarHBondContact O-N 2.86Å; L357-R367 HydrophobicContact CB-CB 4.37Å; L357-R367 HydrophobicContact CB-CG 3.97Å; L357-R367 HydrophobicContact CD1-CB 4.34Å; L357-D370 HydrophobicContact CD2-CB 3.85Å; L357-I374 HydrophobicContact CD2-CD1 3.8Å; L357-D401 PolarHBondContact N-O 2.98Å; L357-L402 HydrophobicContact CD1-CB 4.18Å; L357-L402 HydrophobicContact CD1-CD2 4.22Å; L357-L402 HydrophobicContact CG-CD2 4.45Å; L357-N403 PolarHBondContact O-ND2 3.18Å; L357-Y404 HydrophobicContact CD1-CE2 4.07Å; L357-F442 HydrophobicContact CD1-CE2 4.4Å; L357-F442 HydrophobicContact CD1-CZ 4.48Å
358	A	97.3	Very high	97.3	Very high	14 Å²	14	29.5 Å²	29.5	12%	0.116	15%	0.147	C	C	.	.			trans	-50.3	133.9	179.8	0	0	0	0	0	113.4	R366 R367 D370 N403	A358-R366 HydrophobicContact CB-CB 4.18Å; A358-R366 HydrophobicContact CB-CG 3.53Å; A358-R367 HydrophobicContact CB-CG 4.36Å; A358-R367 WeakPolarHBondContact O-CD 3.37Å; A358-R367 WeakPolarHBondContact O-CG 3.46Å; A358-R367 PolarHBondContact O-NH1 3.37Å; A358-D370 VanDerWaalsContact CB-OD2 3.31Å; A358-D370 WeakPolarHBondContact CB-OD2 3.42Å; A358-D370 PolarHBondContact N-OD2 2.99Å; A358-N403 VanDerWaalsContact O-CB 3.26Å; A358-N403 WeakPolarHBondContact O-CB 3.26Å
359	A	94	Very high	97.3	Very high	27 Å²	27	32.5 Å²	32.5	22%	0.223	16%	0.16	C	C	.	.			trans	-77.3	-166.4	178.2	0	0	0	0	0	111.9	L357 D363 R367	L357-A359 PolarHBondContact O-N 2.86Å; A359-D363 WeakPolarHBondContact O-CB 3.25Å; A359-R367 PolarHBondContact O-NH1 3.17Å; A359-R367 VanDerWaalsContact O-NH1 3.09Å
360	H	91.9	Very high	97.3	Very high	96 Å²	96	31.8 Å²	31.8	44%	0.444	16%	0.155	S	C	.	.	S	Bend	trans	69.4	145.7	-178.3	-55.5	-94.7	0	0	0	114.5	D363 R367	H360-D363 HydrophobicContact CB-CB 4.47Å; H360-R367 VanDerWaalsContact O-CZ 3.25Å; H360-R367 PolarHBondContact O-NH1 2.78Å; H360-R367 PolarHBondContact O-NH2 2.9Å
361	V	92.2	Very high	97.2	Very high	22 Å²	22	32.8 Å²	32.8	13%	0.133	16%	0.159	C	C	.	.	S	Bend	trans	-74.4	-33.1	-172.4	52	0	0	0	0	111.1	R367 R405 Y409 Q431	V361-R367 PolarHBondContact O-NH2 2.88Å; V361-R405 HydrophobicContact CB-CB 4.03Å; V361-R405 HydrophobicContact CB-CG 4.03Å; V361-R405 HydrophobicContact CG2-CB 3.85Å; V361-R405 HydrophobicContact CG2-CG 4.4Å; V361-Y409 HydrophobicContact CG1-CE1 4.04Å; V361-Y409 HydrophobicContact CG2-CE1 3.9Å; V361-Q431 PolarHBondContact O-NE2 2.77Å
362	E	95.5	Very high	97.2	Very high	117 Å²	117	37.9 Å²	37.9	55%	0.547	18%	0.178	S	C	.	.	S	Bend	trans	-69.7	-33.5	-178.1	-55.9	78.1	-173	0	0	112.6	F364	E362-F364 WeakPolarHBondContact O-CD1 3.38Å; E362-F364 PolarHBondContact O-N 3.01Å
363	D	96.4	Very high	97.1	Very high	74 Å²	74	39.6 Å²	39.6	40%	0.396	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	35.3	-168.7	-78.6	-47.5	0	0	0	115.1	A359 H360 R366 R367	A359-D363 WeakPolarHBondContact O-CB 3.25Å; H360-D363 HydrophobicContact CB-CB 4.47Å; D363-R366 HydrophobicContact CB-CB 4.16Å; D363-R366 WeakPolarHBondContact O-CB 3.33Å; D363-R366 PolarHBondContact O-N 3.38Å; D363-R366 VanDerWaalsContact O-N 3.11Å; D363-R367 PolarHBondContact O-N 2.69Å; D363-R367 PolarHBondContact O-NH1 3.42Å
364	F	96.9	Very high	97.1	Very high	35 Å²	35	39.6 Å²	39.6	15%	0.154	19%	0.187	C	C	.	.	H	α-helix	trans	-72.5	-32.3	-177.9	68.6	-85.9	0	0	0	113.2	E362 R366 R367 N368 Y404 F407 Q435	E362-F364 WeakPolarHBondContact O-CD1 3.38Å; E362-F364 PolarHBondContact O-N 3.01Å; F364-R366 PolarHBondContact O-N 3.49Å; F364-R367 PolarHBondContact O-N 2.8Å; F364-N368 VanDerWaalsContact O-CG 3.32Å; F364-N368 PolarHBondContact O-N 2.87Å; F364-Y404 HydrophobicContact CB-CD1 4.4Å; F364-Y404 HydrophobicContact CB-CE1 4.36Å; F364-F407 AromaticContact CD1-CE1 3.72Å; F364-F407 HydrophobicContact CD1-CE1 3.72Å; F364-F407 AromaticContact CD1-CZ 3.72Å; F364-F407 HydrophobicContact CD1-CZ 3.72Å; F364-F407 HydrophobicContact CD2-CZ 4.15Å; F364-F407 AromaticContact CE1-CE1 3.51Å; F364-F407 HydrophobicContact CE1-CE1 3.51Å; F364-F407 AromaticContact CE1-CZ 3.51Å; F364-F407 HydrophobicContact CE1-CZ 3.51Å; F364-F407 AromaticContact CE2-CZ 3.93Å; F364-F407 HydrophobicContact CE2-CZ 3.93Å; F364-F407 HydrophobicContact CG-CE1 4.45Å; F364-F407 HydrophobicContact CG-CZ 4.05Å; F364-F407 HydrophobicContact CZ-CE1 4.07Å; F364-F407 AromaticContact CZ-CZ 3.62Å; F364-F407 HydrophobicContact CZ-CZ 3.62Å; F364-Q435 HydrophobicContact CD2-CG 4.35Å
365	E	97.9	Very high	97	Very high	108 Å²	108	41 Å²	41	51%	0.505	20%	0.197	S	C	.	.	H	α-helix	trans	-59.7	-34.6	165.6	-81	74.4	-167.7	0	0	112.2	N368 Q369	E365-N368 WeakPolarHBondContact O-CB 3.34Å; E365-N368 PolarHBondContact O-N 2.84Å; E365-Q369 PolarHBondContact O-N 3.49Å
366	R	97.7	Very high	96.9	Very high	90 Å²	90	44.8 Å²	44.8	34%	0.34	23%	0.228	S	C	.	.	H	α-helix	trans	-70.5	-40	176.1	-180	54.4	-175.7	-112.9	-0.4	111.2	T327 G328 A358 D363 F364 N368 Q369 D370	T327-R366 PolarHBondContact O-NH2 2.89Å; G328-R366 PolarHBondContact O-NH2 2.83Å; A358-R366 HydrophobicContact CB-CB 4.18Å; A358-R366 HydrophobicContact CB-CG 3.53Å; D363-R366 HydrophobicContact CB-CB 4.16Å; D363-R366 WeakPolarHBondContact O-CB 3.33Å; D363-R366 PolarHBondContact O-N 3.38Å; D363-R366 VanDerWaalsContact O-N 3.11Å; F364-R366 PolarHBondContact O-N 3.49Å; R366-N368 VanDerWaalsContact C-N 3.31Å; R366-N368 PolarHBondContact O-N 3.13Å; R366-Q369 CarbonylContact O-C 3.57Å; R366-Q369 WeakPolarHBondContact O-CA 3.4Å; R366-Q369 WeakPolarHBondContact O-CB 3.43Å; R366-Q369 PolarHBondContact O-N 3.26Å; R366-D370 IonicContact CZ-OD1 3.94Å; R366-D370 IonicContact NE-OD1 2.67Å; R366-D370 PolarHBondContact NE-OD1 2.89Å; R366-D370 IonicContact NH2-OD1 3.99Å; R366-D370 PolarHBondContact O-N 3.38Å
367	R	98.5	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-40.6	170	-69	-178.7	-84	-75.5	9.3	112.4	L357 A358 A359 H360 V361 D363 F364 Q369 D370 Y371 L402 N403 Y404	L357-R367 HydrophobicContact CB-CB 4.37Å; L357-R367 HydrophobicContact CB-CG 3.97Å; L357-R367 HydrophobicContact CD1-CB 4.34Å; A358-R367 HydrophobicContact CB-CG 4.36Å; A358-R367 WeakPolarHBondContact O-CD 3.37Å; A358-R367 WeakPolarHBondContact O-CG 3.46Å; A358-R367 PolarHBondContact O-NH1 3.37Å; A359-R367 PolarHBondContact O-NH1 3.17Å; A359-R367 VanDerWaalsContact O-NH1 3.09Å; H360-R367 VanDerWaalsContact O-CZ 3.25Å; H360-R367 PolarHBondContact O-NH1 2.78Å; H360-R367 PolarHBondContact O-NH2 2.9Å; V361-R367 PolarHBondContact O-NH2 2.88Å; D363-R367 PolarHBondContact O-N 2.69Å; D363-R367 PolarHBondContact O-NH1 3.42Å; F364-R367 PolarHBondContact O-N 2.8Å; R367-Q369 VanDerWaalsContact C-N 3.26Å; R367-Q369 PolarHBondContact O-N 3.15Å; R367-D370 PolarHBondContact O-N 2.95Å; R367-Y371 WeakPolarHBondContact O-CB 3.25Å; R367-Y371 PolarHBondContact O-N 2.71Å; R367-L402 WeakPolarHBondContact CD-O 3.45Å; R367-N403 VanDerWaalsContact CD-C 3.46Å; R367-N403 PolarHBondContact NE-O 2.88Å; R367-Y404 HydrophobicContact CB-CD1 4.43Å; R367-Y404 HydrophobicContact CB-CE1 3.72Å; R367-Y404 HydrophobicContact CB-CE2 4.04Å; R367-Y404 VanDerWaalsContact CB-CZ 3.49Å; R367-Y404 WeakPolarHBondContact CB-OH 3.2Å
368	N	98.5	Very high	96.8	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-33.9	172.7	-69.6	-23.5	0	0	0	112.1	F364 E365 R366 R372 Y404 Q435 A441	F364-N368 VanDerWaalsContact O-CG 3.32Å; F364-N368 PolarHBondContact O-N 2.87Å; E365-N368 WeakPolarHBondContact O-CB 3.34Å; E365-N368 PolarHBondContact O-N 2.84Å; R366-N368 VanDerWaalsContact C-N 3.31Å; R366-N368 PolarHBondContact O-N 3.13Å; N368-R372 WeakPolarHBondContact O-CG 3.41Å; N368-R372 PolarHBondContact O-N 3.4Å; N368-R372 PolarHBondContact O-NE 3.39Å; N368-Y404 PolarHBondContact N-OH 2.87Å; N368-Y404 PolarHBondContact OD1-OH 3.36Å; N368-Y404 VanDerWaalsContact OD1-OH 3.07Å; N368-Q435 PolarHBondContact ND2-OE1 3.04Å; N368-Q435 WeakPolarHBondContact OD1-CG 3.48Å; N368-A441 HydrophobicContact CB-CB 4.37Å; N368-A441 WeakPolarHBondContact OD1-CB 3.34Å
369	Q	98	Very high	96.8	Very high	70 Å²	70	51 Å²	51	33%	0.327	25%	0.253	S	S	.	.	H	α-helix	trans	-74.6	-47	175.8	-172.7	67.3	52.7	0	0	111.7	E365 R366 R367 Y371 R372 D373	E365-Q369 PolarHBondContact O-N 3.49Å; R366-Q369 CarbonylContact O-C 3.57Å; R366-Q369 WeakPolarHBondContact O-CA 3.4Å; R366-Q369 WeakPolarHBondContact O-CB 3.43Å; R366-Q369 PolarHBondContact O-N 3.26Å; R367-Q369 VanDerWaalsContact C-N 3.26Å; R367-Q369 PolarHBondContact O-N 3.15Å; Q369-Y371 VanDerWaalsContact C-N 3.28Å; Q369-Y371 PolarHBondContact O-N 2.87Å; Q369-R372 VanDerWaalsContact CA-NH2 3.29Å; Q369-R372 PolarHBondContact O-N 2.69Å; Q369-D373 PolarHBondContact NE2-OD1 3.36Å; Q369-D373 WeakPolarHBondContact O-CB 3.46Å; Q369-D373 PolarHBondContact O-N 3.21Å
370	D	98.3	Very high	96.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-43.6	176.5	-68.7	-24.2	0	0	0	110.8	T327 L357 A358 R366 R367 R372 D373 I374	T327-D370 WeakPolarHBondContact CB-OD1 3.4Å; T327-D370 VanDerWaalsContact OG1-CG 3.28Å; T327-D370 PolarHBondContact OG1-OD1 3.3Å; T327-D370 VanDerWaalsContact OG1-OD1 3.06Å; L357-D370 HydrophobicContact CD2-CB 3.85Å; A358-D370 VanDerWaalsContact CB-OD2 3.31Å; A358-D370 WeakPolarHBondContact CB-OD2 3.42Å; A358-D370 PolarHBondContact N-OD2 2.99Å; R366-D370 IonicContact CZ-OD1 3.94Å; R366-D370 IonicContact NE-OD1 2.67Å; R366-D370 PolarHBondContact NE-OD1 2.89Å; R366-D370 IonicContact NH2-OD1 3.99Å; R366-D370 PolarHBondContact O-N 3.38Å; R367-D370 PolarHBondContact O-N 2.95Å; D370-R372 PolarHBondContact O-N 3.17Å; D370-D373 PolarHBondContact O-N 2.9Å; D370-I374 WeakPolarHBondContact O-CD1 3.35Å; D370-I374 WeakPolarHBondContact O-CG1 3.37Å; D370-I374 PolarHBondContact O-N 3.44Å
371	Y	98.3	Very high	96.8	Very high	23 Å²	23	51 Å²	51	9%	0.09	25%	0.248	C	C	.	.	H	α-helix	trans	-56.5	-49.2	172.6	165.5	-103.4	0	0	0	112.3	R367 Q369 I374 C375 W398 A441 F442	R367-Y371 WeakPolarHBondContact O-CB 3.25Å; R367-Y371 PolarHBondContact O-N 2.71Å; Q369-Y371 VanDerWaalsContact C-N 3.28Å; Q369-Y371 PolarHBondContact O-N 2.87Å; Y371-I374 PolarHBondContact O-N 3.23Å; Y371-C375 VanDerWaalsContact CE2-SG 3.54Å; Y371-C375 PolarHBondContact O-N 2.81Å; Y371-C375 PolarHBondContact O-SG 2.77Å; Y371-C375 VanDerWaalsContact O-SG 3.34Å; Y371-W398 AromaticContact CD2-CH2 3.81Å; Y371-W398 HydrophobicContact CD2-CH2 3.81Å; Y371-W398 AromaticContact CD2-CZ2 3.87Å; Y371-W398 HydrophobicContact CD2-CZ2 3.87Å; Y371-W398 HydrophobicContact CD2-CZ3 4.3Å; Y371-W398 HydrophobicContact CE2-CE3 4.37Å; Y371-W398 AromaticContact CE2-CH2 3.92Å; Y371-W398 HydrophobicContact CE2-CH2 3.92Å; Y371-W398 HydrophobicContact CE2-CZ2 4.33Å; Y371-W398 AromaticContact CE2-CZ3 3.95Å; Y371-W398 HydrophobicContact CE2-CZ3 3.95Å; Y371-A441 HydrophobicContact CD1-CB 3.81Å; Y371-A441 HydrophobicContact CE1-CB 4.31Å; Y371-A441 HydrophobicContact CG-CB 4.34Å; Y371-F442 AromaticContact CD2-CD1 3.86Å; Y371-F442 HydrophobicContact CD2-CD1 3.86Å; Y371-F442 AromaticContact CD2-CD2 3.98Å; Y371-F442 HydrophobicContact CD2-CD2 3.98Å; Y371-F442 AromaticContact CD2-CE1 3.54Å; Y371-F442 HydrophobicContact CD2-CE1 3.54Å; Y371-F442 AromaticContact CD2-CE2 3.66Å; Y371-F442 HydrophobicContact CD2-CE2 3.66Å; Y371-F442 HydrophobicContact CD2-CG 4.07Å; Y371-F442 AromaticContact CD2-CZ 3.44Å; Y371-F442 HydrophobicContact CD2-CZ 3.44Å; Y371-F442 VanDerWaalsContact CD2-CZ 3.44Å; Y371-F442 VanDerWaalsContact CE1-N 3.26Å; Y371-F442 AromaticContact CE2-CD1 3.57Å; Y371-F442 HydrophobicContact CE2-CD1 3.57Å; Y371-F442 HydrophobicContact CE2-CD2 4.27Å; Y371-F442 AromaticContact CE2-CE1 3.65Å; Y371-F442 HydrophobicContact CE2-CE1 3.65Å; Y371-F442 HydrophobicContact CE2-CE2 4.33Å; Y371-F442 AromaticContact CE2-CG 3.9Å; Y371-F442 HydrophobicContact CE2-CG 3.9Å; Y371-F442 HydrophobicContact CE2-CZ 4.04Å; Y371-F442 HydrophobicContact CG-CD2 4.22Å; Y371-F442 AromaticContact CG-CE2 3.95Å; Y371-F442 HydrophobicContact CG-CE2 3.95Å; Y371-F442 HydrophobicContact CG-CZ 4.16Å
372	R	97.5	Very high	96.7	Very high	107 Å²	107	51.3 Å²	51.3	40%	0.404	25%	0.249	S	C	.	.	H	α-helix	trans	-64.8	-39.9	179.5	-76.4	177.3	-73	121.3	-0.5	112.1	N368 Q369 D370 C375 A376	N368-R372 WeakPolarHBondContact O-CG 3.41Å; N368-R372 PolarHBondContact O-N 3.4Å; N368-R372 PolarHBondContact O-NE 3.39Å; Q369-R372 VanDerWaalsContact CA-NH2 3.29Å; Q369-R372 PolarHBondContact O-N 2.69Å; D370-R372 PolarHBondContact O-N 3.17Å; R372-C375 PolarHBondContact O-N 2.8Å; R372-A376 VanDerWaalsContact O-CB 3.31Å; R372-A376 WeakPolarHBondContact O-CB 3.42Å; R372-A376 PolarHBondContact O-N 2.84Å
373	D	97.4	Very high	95.9	Very high	35 Å²	35	54.3 Å²	54.3	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-43.7	177.3	-75.3	9.2	0	0	0	111.4	T327 Q369 D370 A376 R377	T327-D373 HydrophobicContact CG2-CB 3.98Å; Q369-D373 PolarHBondContact NE2-OD1 3.36Å; Q369-D373 WeakPolarHBondContact O-CB 3.46Å; Q369-D373 PolarHBondContact O-N 3.21Å; D370-D373 PolarHBondContact O-N 2.9Å; D373-A376 PolarHBondContact O-N 2.63Å; D373-R377 VanDerWaalsContact O-CB 3.23Å; D373-R377 WeakPolarHBondContact O-CB 3.25Å; D373-R377 WeakPolarHBondContact O-CD 3.21Å; D373-R377 WeakPolarHBondContact O-CG 3.27Å; D373-R377 PolarHBondContact O-N 2.92Å
374	I	98.2	Very high	95.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-48	173.7	-65.6	161.4	0	0	0	109.9	V325 T327 V353 C355 L357 D370 Y371 A376 M378 I390 W398	V325-I374 HydrophobicContact CB-CG1 4.47Å; V325-I374 HydrophobicContact CG1-CG1 4.38Å; T327-I374 HydrophobicContact CG2-CG1 3.95Å; V353-I374 HydrophobicContact CG1-CG2 4.36Å; C355-I374 HydrophobicContact CB-CD1 4.06Å; L357-I374 HydrophobicContact CD2-CD1 3.8Å; D370-I374 WeakPolarHBondContact O-CD1 3.35Å; D370-I374 WeakPolarHBondContact O-CG1 3.37Å; D370-I374 PolarHBondContact O-N 3.44Å; Y371-I374 PolarHBondContact O-N 3.23Å; I374-A376 VanDerWaalsContact C-N 3.32Å; I374-A376 PolarHBondContact O-N 3.17Å; I374-M378 HydrophobicContact CG2-CE 3.96Å; I374-M378 WeakPolarHBondContact O-CB 3.38Å; I374-M378 PolarHBondContact O-N 3.18Å; I374-I390 HydrophobicContact CG2-CD1 4.02Å; I374-W398 HydrophobicContact CB-CH2 4.06Å; I374-W398 HydrophobicContact CB-CZ2 4.12Å; I374-W398 HydrophobicContact CD1-CZ2 4.27Å; I374-W398 HydrophobicContact CG2-CH2 3.55Å; I374-W398 HydrophobicContact CG2-CZ2 3.67Å
375	C	97	Very high	94.4	Very high	30 Å²	30	61.8 Å²	61.8	20%	0.203	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-38.6	177.4	-73.4	0	0	0	0	113.8	Y371 R372 W398	Y371-C375 VanDerWaalsContact CE2-SG 3.54Å; Y371-C375 PolarHBondContact O-N 2.81Å; Y371-C375 PolarHBondContact O-SG 2.77Å; Y371-C375 VanDerWaalsContact O-SG 3.34Å; R372-C375 PolarHBondContact O-N 2.8Å; C375-W398 VanDerWaalsContact SG-CH2 3.56Å
376	A	96.3	Very high	94	Very high	79 Å²	79	60.9 Å²	60.9	65%	0.653	31%	0.305	S	S	*	.	H	α-helix	trans	-81.2	-34.9	-176.5	0	0	0	0	0	113.4	R372 D373 I374	R372-A376 VanDerWaalsContact O-CB 3.31Å; R372-A376 WeakPolarHBondContact O-CB 3.42Å; R372-A376 PolarHBondContact O-N 2.84Å; D373-A376 PolarHBondContact O-N 2.63Å; I374-A376 VanDerWaalsContact C-N 3.32Å; I374-A376 PolarHBondContact O-N 3.17Å
377	R	97.1	Very high	93.7	Very high	106 Å²	106	59.8 Å²	59.8	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-96.2	-26.7	-172.8	-65.3	159.6	59.4	-168	-6.2	113.3	V325 G326 G331 D373 T379	V325-R377 HydrophobicContact CG1-CB 4.02Å; V325-R377 HydrophobicContact CG2-CB 3.83Å; G326-R377 PolarHBondContact O-NH1 2.91Å; G326-R377 PolarHBondContact O-NH2 2.79Å; G331-R377 PolarHBondContact O-NH1 2.84Å; D373-R377 VanDerWaalsContact O-CB 3.23Å; D373-R377 WeakPolarHBondContact O-CB 3.25Å; D373-R377 WeakPolarHBondContact O-CD 3.21Å; D373-R377 WeakPolarHBondContact O-CG 3.27Å; D373-R377 PolarHBondContact O-N 2.92Å; R377-T379 PolarHBondContact O-N 2.84Å; R377-T379 VanDerWaalsContact O-N 3.12Å
378	M	97.6	Very high	93.5	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	32%	0.317	C	S	.	.			trans	-73.6	104.7	-178.1	-168.1	79.3	69.2	0	0	111	E323 V325 A340 I374 F380 I390	E323-M378 HydrophobicContact CB-CG 4.41Å; E323-M378 HydrophobicContact CB-SD 3.54Å; E323-M378 VanDerWaalsContact CB-SD 3.54Å; V325-M378 HydrophobicContact CB-CE 4.05Å; V325-M378 HydrophobicContact CG2-CB 3.95Å; V325-M378 HydrophobicContact CG2-CE 3.78Å; V325-M378 HydrophobicContact CG2-SD 3.97Å; A340-M378 HydrophobicContact CB-CE 4.08Å; A340-M378 HydrophobicContact CB-CG 4.25Å; A340-M378 HydrophobicContact CB-SD 4.02Å; I374-M378 HydrophobicContact CG2-CE 3.96Å; I374-M378 WeakPolarHBondContact O-CB 3.38Å; I374-M378 PolarHBondContact O-N 3.18Å; M378-F380 HydrophobicContact CG-CE2 4.41Å; M378-F380 HydrophobicContact CG-CZ 4.23Å; M378-I390 HydrophobicContact CB-CD1 3.63Å; M378-I390 HydrophobicContact CB-CG1 3.95Å; M378-I390 HydrophobicContact CG-CD1 3.82Å; M378-I390 HydrophobicContact CG-CG1 3.86Å
379	T	96.9	Very high	93.4	Very high	40 Å²	40	62.2 Å²	62.2	25%	0.245	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.9	-174.7	-60.7	0	0	0	0	110.3	E323 R377 H381 P387 L388	E323-T379 WeakPolarHBondContact CG-O 3.31Å; R377-T379 PolarHBondContact O-N 2.84Å; R377-T379 VanDerWaalsContact O-N 3.12Å; T379-H381 PolarHBondContact O-CE1 2.83Å; T379-H381 PolarHBondContact O-ND1 3.01Å; T379-P387 HydrophobicContact CG2-CB 3.32Å; T379-L388 WeakPolarHBondContact CA-O 3.4Å
380	F	96.7	Very high	93.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.2	179.3	-53.4	-86.1	0	0	0	111.1	A321 E323 A340 R342 M378 L388 I390	A321-F380 HydrophobicContact CB-CB 4.28Å; A321-F380 HydrophobicContact CB-CD1 4.06Å; E323-F380 HydrophobicContact CB-CD1 3.91Å; E323-F380 HydrophobicContact CB-CE1 3.84Å; E323-F380 HydrophobicContact CG-CB 4.41Å; E323-F380 HydrophobicContact CG-CD1 3.42Å; E323-F380 VanDerWaalsContact CG-CD1 3.42Å; E323-F380 HydrophobicContact CG-CE1 3.9Å; E323-F380 HydrophobicContact CG-CG 4.08Å; A340-F380 HydrophobicContact CB-CE1 4.18Å; A340-F380 HydrophobicContact CB-CZ 3.7Å; R342-F380 HydrophobicContact CB-CD1 4.28Å; R342-F380 HydrophobicContact CB-CD2 4.35Å; R342-F380 HydrophobicContact CB-CE1 4.06Å; R342-F380 HydrophobicContact CB-CE2 4.14Å; R342-F380 HydrophobicContact CB-CG 4.43Å; R342-F380 HydrophobicContact CB-CZ 3.99Å; R342-F380 HydrophobicContact CG-CB 4.12Å; R342-F380 HydrophobicContact CG-CD1 3.52Å; R342-F380 HydrophobicContact CG-CD2 3.86Å; R342-F380 HydrophobicContact CG-CE1 3.81Å; R342-F380 HydrophobicContact CG-CE2 4.13Å; R342-F380 HydrophobicContact CG-CG 3.56Å; R342-F380 HydrophobicContact CG-CZ 4.11Å; M378-F380 HydrophobicContact CG-CE2 4.41Å; M378-F380 HydrophobicContact CG-CZ 4.23Å; F380-L388 HydrophobicContact CB-CB 4.49Å; F380-L388 WeakPolarHBondContact CD2-O 3.32Å; F380-L388 PolarHBondContact N-O 3.32Å; F380-L388 PolarHBondContact O-N 3.14Å; F380-I390 HydrophobicContact CE2-CG1 4.44Å
381	H	91.1	Very high	93.1	Very high	123 Å²	123	62.2 Å²	62.2	57%	0.569	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	123	177.7	-57.7	86.1	0	0	0	110.1	E323 T379	E323-H381 IonicContact OE1-ND1 3.45Å; E323-H381 PolarHBondContact OE1-ND1 2.87Å; T379-H381 PolarHBondContact O-CE1 2.83Å; T379-H381 PolarHBondContact O-ND1 3.01Å
382	L	88.4	Confident	92.9	Very high	30 Å²	30	67 Å²	67	16%	0.157	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.1	176.2	-61.6	171.1	0	0	0	107.6	E319 A321 D384 Y385 L388	E319-L382 HydrophobicContact CB-CD1 4.25Å; E319-L382 HydrophobicContact CB-CD2 4.43Å; A321-L382 HydrophobicContact CB-CD2 3.95Å; L382-D384 VanDerWaalsContact C-N 3.3Å; L382-D384 PolarHBondContact O-N 2.87Å; L382-Y385 HydrophobicContact CB-CD2 3.94Å; L382-Y385 HydrophobicContact CD1-CD2 3.99Å; L382-Y385 PolarHBondContact O-N 2.91Å; L382-L388 HydrophobicContact CD1-CD1 3.8Å
383	L	80.4	Confident	92.9	Very high	179 Å²	179	62.6 Å²	62.6	94%	0.937	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-40.9	-168.8	-69.1	168.3	0	0	0	114
384	D	80.5	Confident	92.9	Very high	147 Å²	147	64.4 Å²	64.4	79%	0.786	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	8.1	-172	-52.1	-63.8	0	0	0	114.1	L382	L382-D384 VanDerWaalsContact C-N 3.3Å; L382-D384 PolarHBondContact O-N 2.87Å
385	Y	81.1	Confident	92.9	Very high	119 Å²	119	64.5 Å²	64.5	47%	0.467	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.5	-171.5	-62	-76.4	0	0	0	113.3	E319 L382	E319-Y385 HydrophobicContact CG-CE2 4.29Å; E319-Y385 VanDerWaalsContact OE1-CE2 3.26Å; E319-Y385 WeakPolarHBondContact OE1-CE2 3.37Å; E319-Y385 VanDerWaalsContact OE1-CZ 3.27Å; E319-Y385 PolarHBondContact OE1-OH 2.88Å; L382-Y385 HydrophobicContact CB-CD2 3.94Å; L382-Y385 HydrophobicContact CD1-CD2 3.99Å; L382-Y385 PolarHBondContact O-N 2.91Å
386	P	88.6	Confident	93	Very high	90 Å²	90	63.1 Å²	63.1	58%	0.584	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	151.9	170.8	28.9	-36	0	0	0	110.7	L388	P386-L388 PolarHBondContact O-N 3.42Å
387	P	90.9	Very high	93.1	Very high	66 Å²	66	59.4 Å²	59.4	43%	0.429	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	132.2	-176.3	-23.7	31.9	0	0	0	113.2	T379 K392	T379-P387 HydrophobicContact CG2-CB 3.32Å; P387-K392 PolarHBondContact O-NZ 2.97Å; P387-K392 VanDerWaalsContact O-NZ 3.08Å
388	L	94.5	Very high	93.2	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.157	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.7	-176.1	-64.5	179.6	0	0	0	110.3	T379 F380 L382 P386 K392	T379-L388 WeakPolarHBondContact CA-O 3.4Å; F380-L388 HydrophobicContact CB-CB 4.49Å; F380-L388 WeakPolarHBondContact CD2-O 3.32Å; F380-L388 PolarHBondContact N-O 3.32Å; F380-L388 PolarHBondContact O-N 3.14Å; L382-L388 HydrophobicContact CD1-CD1 3.8Å; P386-L388 PolarHBondContact O-N 3.42Å; L388-K392 HydrophobicContact CD2-CB 4.44Å; L388-K392 HydrophobicContact CD2-CD 3.93Å
389	S	95.9	Very high	93.3	Very high	29 Å²	29	54.2 Å²	54.2	20%	0.203	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	163.8	168.4	58.8	0	0	0	0	110.9	V391 K392 H393	S389-V391 VanDerWaalsContact C-N 3.28Å; S389-V391 PolarHBondContact O-N 3.38Å; S389-K392 PolarHBondContact O-N 3.22Å; S389-H393 PolarHBondContact O-CE1 3.17Å; S389-H393 PolarHBondContact O-ND1 2.85Å
390	I	96.8	Very high	93.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-47.6	-50.3	179.7	-65.2	167.1	0	0	0	111.5	V353 I374 M378 F380 K392 H393 V396 W398	V353-I390 HydrophobicContact CG2-CD1 3.96Å; V353-I390 HydrophobicContact CG2-CG1 4.2Å; V353-I390 HydrophobicContact CG2-CG2 4.03Å; I374-I390 HydrophobicContact CG2-CD1 4.02Å; M378-I390 HydrophobicContact CB-CD1 3.63Å; M378-I390 HydrophobicContact CB-CG1 3.95Å; M378-I390 HydrophobicContact CG-CD1 3.82Å; M378-I390 HydrophobicContact CG-CG1 3.86Å; F380-I390 HydrophobicContact CE2-CG1 4.44Å; I390-K392 PolarHBondContact O-N 3.23Å; I390-K392 VanDerWaalsContact O-N 3.14Å; I390-H393 PolarHBondContact O-N 3.27Å; I390-H393 PolarHBondContact O-ND1 3.39Å; I390-V396 HydrophobicContact CG2-CG1 3.55Å; I390-V396 HydrophobicContact CG2-CG2 4.16Å; I390-V396 WeakPolarHBondContact O-CG2 3.5Å; I390-W398 HydrophobicContact CD1-CH2 4.05Å; I390-W398 HydrophobicContact CD1-CZ3 3.86Å; I390-W398 HydrophobicContact CG2-CE3 4.49Å; I390-W398 HydrophobicContact CG2-CZ3 4.21Å
391	V	93	Very high	93.5	Very high	72 Å²	72	52.4 Å²	52.4	44%	0.436	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-71.3	-5.8	-172.1	-60.5	0	0	0	0	115.6	S389 H393	S389-V391 VanDerWaalsContact C-N 3.28Å; S389-V391 PolarHBondContact O-N 3.38Å; V391-H393 VanDerWaalsContact C-N 3.31Å
392	K	94.5	Very high	93.8	Very high	122 Å²	122	46.5 Å²	46.5	53%	0.53	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-83.7	0.7	176.6	-70.8	-176	-176.4	174.8	0	114.1	P387 L388 S389 I390	P387-K392 PolarHBondContact O-NZ 2.97Å; P387-K392 VanDerWaalsContact O-NZ 3.08Å; L388-K392 HydrophobicContact CD2-CB 4.44Å; L388-K392 HydrophobicContact CD2-CD 3.93Å; S389-K392 PolarHBondContact O-N 3.22Å; I390-K392 PolarHBondContact O-N 3.23Å; I390-K392 VanDerWaalsContact O-N 3.14Å
393	H	97.7	Very high	94.3	Very high	16 Å²	16	45.2 Å²	45.2	7%	0.074	24%	0.24	C	C	.	.	S	Bend	trans	-91.9	149.1	-179	-61.2	78.5	0	0	0	111.6	R342 S349 F350 C351 S389 I390 V391 V395 V396	R342-H393 PolarHBondContact NE-NE2 2.88Å; R342-H393 PolarHBondContact NH2-NE2 2.68Å; S349-H393 WeakPolarHBondContact OG-CA 3.22Å; F350-H393 PolarHBondContact O-CD2 2.97Å; C351-H393 HydrophobicContact CB-CB 4.03Å; S389-H393 PolarHBondContact O-CE1 3.17Å; S389-H393 PolarHBondContact O-ND1 2.85Å; I390-H393 PolarHBondContact O-N 3.27Å; I390-H393 PolarHBondContact O-ND1 3.39Å; V391-H393 VanDerWaalsContact C-N 3.31Å; H393-V395 VanDerWaalsContact C-N 3.27Å; H393-V395 PolarHBondContact O-N 2.93Å; H393-V396 HydrophobicContact CB-CG2 4.2Å
394	D	97.8	Very high	95.2	Very high	73 Å²	73	36.7 Å²	36.7	39%	0.39	20%	0.195	S	C	.	.	S	Bend	trans	-62.4	-36.8	178.9	-60	-75.5	0	0	0	111.9	T348 S349 G484	T348-D394 HydrophobicContact CG2-CB 3.83Å; S349-D394 WeakPolarHBondContact CB-OD2 3.22Å; S349-D394 PolarHBondContact N-OD2 2.86Å; S349-D394 PolarHBondContact O-N 2.85Å; S349-D394 PolarHBondContact OG-N 2.91Å; S349-D394 PolarHBondContact OG-OD2 2.93Å; D394-G484 VanDerWaalsContact O-CA 3.25Å; D394-G484 WeakPolarHBondContact O-CA 3.33Å
395	V	98.7	Very high	96.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.5	176.4	-178.4	0	0	0	0	109.7	T348 S349 F350 C351 H393 I397 R483 V487 I512	T348-V395 HydrophobicContact CG2-CG2 4.28Å; S349-V395 PolarHBondContact O-N 3.33Å; F350-V395 CarbonylContact C-O 3.57Å; F350-V395 VanDerWaalsContact CA-O 3.31Å; F350-V395 WeakPolarHBondContact CA-O 3.24Å; F350-V395 HydrophobicContact CD1-CB 3.76Å; F350-V395 HydrophobicContact CD1-CG1 3.9Å; F350-V395 HydrophobicContact CD1-CG2 4.5Å; F350-V395 HydrophobicContact CE1-CB 3.76Å; F350-V395 HydrophobicContact CE1-CG1 3.84Å; F350-V395 HydrophobicContact CE1-CG2 4.04Å; F350-V395 HydrophobicContact CZ-CB 4.5Å; F350-V395 HydrophobicContact CZ-CG2 4.39Å; C351-V395 PolarHBondContact N-O 2.98Å; H393-V395 VanDerWaalsContact C-N 3.27Å; H393-V395 PolarHBondContact O-N 2.93Å; V395-I397 HydrophobicContact CG1-CG1 4.15Å; V395-R483 WeakPolarHBondContact CA-O 3.05Å; V395-V487 HydrophobicContact CG1-CG2 3.93Å; V395-V487 HydrophobicContact CG2-CG2 4.13Å; V395-I512 HydrophobicContact CG1-CD1 4.4Å; V395-I512 HydrophobicContact CG2-CG2 4.17Å
396	V	98.8	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.1	170.5	-175.5	0	0	0	0	108.5	C351 I390 H393 F445 W482 R483	C351-V396 HydrophobicContact CB-CG2 4.44Å; C351-V396 CarbonylContact O-C 3.49Å; C351-V396 VanDerWaalsContact O-CA 3.31Å; C351-V396 WeakPolarHBondContact O-CA 3.28Å; I390-V396 HydrophobicContact CG2-CG1 3.55Å; I390-V396 HydrophobicContact CG2-CG2 4.16Å; I390-V396 WeakPolarHBondContact O-CG2 3.5Å; H393-V396 HydrophobicContact CB-CG2 4.2Å; V396-F445 HydrophobicContact CB-CE1 4.28Å; V396-F445 HydrophobicContact CB-CZ 4.36Å; V396-F445 HydrophobicContact CG1-CE1 3.89Å; V396-F445 HydrophobicContact CG1-CZ 3.88Å; V396-W482 CarbonylContact O-C 3.56Å; V396-W482 VanDerWaalsContact O-CA 3.25Å; V396-W482 WeakPolarHBondContact O-CA 3.2Å; V396-R483 HydrophobicContact CB-CB 4.47Å; V396-R483 PolarHBondContact N-O 3.45Å; V396-R483 PolarHBondContact O-N 3.25Å
397	I	98.9	Very high	97.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.2	172.1	-59.5	177.6	0	0	0	107.2	I225 C351 I352 V353 V395 I480 W482 I512	I225-I397 HydrophobicContact CD1-CD1 3.71Å; I225-I397 HydrophobicContact CD1-CG2 4.16Å; I225-I397 HydrophobicContact CG1-CD1 4.01Å; I225-I397 HydrophobicContact CG1-CG2 4.04Å; I225-I397 HydrophobicContact CG2-CG2 3.83Å; C351-I397 PolarHBondContact O-N 2.9Å; I352-I397 CarbonylContact C-O 3.6Å; I352-I397 WeakPolarHBondContact CA-O 3.47Å; V353-I397 PolarHBondContact N-O 2.99Å; V395-I397 HydrophobicContact CG1-CG1 4.15Å; I397-I480 HydrophobicContact CG2-CG2 4.31Å; I397-W482 HydrophobicContact CG1-CB 4.37Å; I397-I512 HydrophobicContact CD1-CD1 4.1Å
398	W	98.9	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.2	-177.8	-158.3	-55.5	0	0	0	109.3	V353 C355 Y371 I374 C375 I390 F442 F445 L481	V353-W398 HydrophobicContact CB-CD2 3.87Å; V353-W398 HydrophobicContact CB-CE3 4.12Å; V353-W398 HydrophobicContact CB-CG 4.1Å; V353-W398 HydrophobicContact CG1-CD2 3.89Å; V353-W398 HydrophobicContact CG1-CE3 4.25Å; V353-W398 HydrophobicContact CG1-CG 4.4Å; V353-W398 HydrophobicContact CG1-CH2 4.29Å; V353-W398 HydrophobicContact CG1-CZ2 3.9Å; V353-W398 HydrophobicContact CG1-CZ3 4.44Å; V353-W398 HydrophobicContact CG2-CD2 4.34Å; V353-W398 HydrophobicContact CG2-CE3 4.07Å; V353-W398 HydrophobicContact CG2-CZ3 4.4Å; V353-W398 WeakPolarHBondContact O-CA 3.43Å; C355-W398 PolarHBondContact SG-NE1 2.99Å; Y371-W398 AromaticContact CD2-CH2 3.81Å; Y371-W398 HydrophobicContact CD2-CH2 3.81Å; Y371-W398 AromaticContact CD2-CZ2 3.87Å; Y371-W398 HydrophobicContact CD2-CZ2 3.87Å; Y371-W398 HydrophobicContact CD2-CZ3 4.3Å; Y371-W398 HydrophobicContact CE2-CE3 4.37Å; Y371-W398 AromaticContact CE2-CH2 3.92Å; Y371-W398 HydrophobicContact CE2-CH2 3.92Å; Y371-W398 HydrophobicContact CE2-CZ2 4.33Å; Y371-W398 AromaticContact CE2-CZ3 3.95Å; Y371-W398 HydrophobicContact CE2-CZ3 3.95Å; I374-W398 HydrophobicContact CB-CH2 4.06Å; I374-W398 HydrophobicContact CB-CZ2 4.12Å; I374-W398 HydrophobicContact CD1-CZ2 4.27Å; I374-W398 HydrophobicContact CG2-CH2 3.55Å; I374-W398 HydrophobicContact CG2-CZ2 3.67Å; C375-W398 VanDerWaalsContact SG-CH2 3.56Å; I390-W398 HydrophobicContact CD1-CH2 4.05Å; I390-W398 HydrophobicContact CD1-CZ3 3.86Å; I390-W398 HydrophobicContact CG2-CE3 4.49Å; I390-W398 HydrophobicContact CG2-CZ3 4.21Å; W398-F442 HydrophobicContact CB-CE1 4.35Å; W398-F442 AromaticContact CD1-CE1 3.71Å; W398-F442 AromaticContact CD2-CE1 3.76Å; W398-F442 HydrophobicContact CD2-CE1 3.76Å; W398-F442 AromaticContact CE2-CE1 3.81Å; W398-F442 HydrophobicContact CE3-CE1 4.42Å; W398-F442 AromaticContact CG-CE1 3.7Å; W398-F442 HydrophobicContact CG-CE1 3.7Å; W398-F442 HydrophobicContact CZ2-CE1 4.49Å; W398-F442 AromaticContact NE1-CE1 3.77Å; W398-F442 AromaticContact NE1-CZ 3.88Å; W398-F445 HydrophobicContact CB-CD1 4.4Å; W398-F445 HydrophobicContact CB-CE1 3.91Å; W398-F445 HydrophobicContact CE3-CE1 4.33Å; W398-F445 AromaticContact CE3-CZ 3.9Å; W398-F445 HydrophobicContact CE3-CZ 3.9Å; W398-L481 PolarHBondContact N-O 3.12Å; W398-L481 PolarHBondContact O-N 2.88Å
399	L	98.9	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	163	-176.5	64.2	93.5	0	0	0	110.3	I225 L305 I352 V353 N354 C355 R479 I480	I225-L399 HydrophobicContact CG2-CB 4.34Å; I225-L399 HydrophobicContact CG2-CD2 3.34Å; I225-L399 HydrophobicContact CG2-CG 4.44Å; L305-L399 HydrophobicContact CD1-CD2 4.48Å; I352-L399 HydrophobicContact CG2-CD2 3.93Å; V353-L399 PolarHBondContact O-N 2.87Å; N354-L399 CarbonylContact C-O 3.57Å; N354-L399 VanDerWaalsContact CA-O 3.3Å; N354-L399 WeakPolarHBondContact CA-O 3.37Å; N354-L399 HydrophobicContact CB-CD1 3.74Å; N354-L399 HydrophobicContact CB-CG 4.44Å; C355-L399 PolarHBondContact N-O 3.29Å; L399-R479 VanDerWaalsContact CA-O 3.27Å; L399-R479 WeakPolarHBondContact CA-O 3.32Å; L399-I480 HydrophobicContact CB-CG1 4.07Å; L399-I480 HydrophobicContact CB-CG2 4.48Å
400	G	98.8	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.9	-174.2	168.7	0	0	0	0	0	114.3	T227 C355 L402 D478 R479	T227-G400 VanDerWaalsContact OG1-CA 3.27Å; T227-G400 WeakPolarHBondContact OG1-CA 3.39Å; C355-G400 VanDerWaalsContact O-CA 3.29Å; C355-G400 WeakPolarHBondContact O-CA 3.42Å; G400-L402 PolarHBondContact O-N 3.19Å; G400-D478 WeakPolarHBondContact O-CA 3.4Å; G400-R479 PolarHBondContact N-O 2.99Å; G400-R479 VanDerWaalsContact N-O 3.12Å; G400-R479 PolarHBondContact O-N 3.17Å
401	D	98.9	Very high	96.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	93.3	158.7	-177.8	-3.3	0	0	0	107.5	N229 Q258 C355 H356 L357 N403 C477 H503	N229-D401 HydrophobicContact CB-CB 4.38Å; N229-D401 PolarHBondContact ND2-OD2 2.93Å; Q258-D401 HydrophobicContact CB-CB 4.27Å; Q258-D401 HydrophobicContact CG-CB 3.91Å; C355-D401 PolarHBondContact O-N 3.34Å; C355-D401 VanDerWaalsContact O-N 3.17Å; H356-D401 WeakPolarHBondContact CA-O 3.29Å; H356-D401 IonicContact CD2-OD2 2.9Å; H356-D401 IonicContact NE2-OD2 3.67Å; L357-D401 PolarHBondContact N-O 2.98Å; D401-N403 PolarHBondContact O-N 3.28Å; D401-N403 WeakPolarHBondContact OD1-CA 3.41Å; D401-N403 PolarHBondContact OD1-N 3.17Å; D401-N403 PolarHBondContact OD1-ND2 3.01Å; D401-N403 PolarHBondContact OD2-ND2 3.16Å; D401-C477 WeakPolarHBondContact OD1-CB 3.28Å; D401-H503 IonicContact OD2-CE1 3.74Å; D401-H503 PolarHBondContact OD2-CE1 2.84Å; D401-H503 IonicContact OD2-NE2 3.56Å
402	L	98.8	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.			trans	-78.4	-7.7	177.9	-51.9	-163.8	0	0	0	111.7	C355 L357 R367 G400 Y404 L432 F442 C477 R479 L481	C355-L402 WeakPolarHBondContact SG-CD2 3.47Å; L357-L402 HydrophobicContact CD1-CB 4.18Å; L357-L402 HydrophobicContact CD1-CD2 4.22Å; L357-L402 HydrophobicContact CG-CD2 4.45Å; R367-L402 WeakPolarHBondContact CD-O 3.45Å; G400-L402 PolarHBondContact O-N 3.19Å; L402-Y404 HydrophobicContact CB-CD2 3.76Å; L402-Y404 HydrophobicContact CB-CE2 4.16Å; L402-Y404 VanDerWaalsContact O-CD2 3.24Å; L402-Y404 WeakPolarHBondContact O-CD2 3.49Å; L402-Y404 PolarHBondContact O-N 3.19Å; L402-L432 HydrophobicContact CD1-CD2 3.72Å; L402-F442 HydrophobicContact CD1-CE2 4.33Å; L402-F442 HydrophobicContact CD1-CZ 4.03Å; L402-F442 HydrophobicContact CD2-CZ 4.43Å; L402-C477 PolarHBondContact N-O 3.02Å; L402-R479 HydrophobicContact CB-CG 4.46Å; L402-R479 HydrophobicContact CD1-CB 3.66Å; L402-R479 HydrophobicContact CD1-CG 4.12Å; L402-R479 HydrophobicContact CG-CB 3.93Å; L402-R479 HydrophobicContact CG-CG 4.24Å; L402-L481 HydrophobicContact CD1-CD1 3.52Å
403	N	98.7	Very high	97	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.142	C	C	.	.			trans	53.9	8.1	176.4	-100.9	-66.3	0	0	0	117.4	H356 L357 A358 R367 D401 R405 C477	H356-N403 PolarHBondContact CD2-ND2 2.74Å; H356-N403 PolarHBondContact NE2-ND2 3.21Å; L357-N403 PolarHBondContact O-ND2 3.18Å; A358-N403 VanDerWaalsContact O-CB 3.26Å; A358-N403 WeakPolarHBondContact O-CB 3.26Å; R367-N403 VanDerWaalsContact CD-C 3.46Å; R367-N403 PolarHBondContact NE-O 2.88Å; D401-N403 PolarHBondContact O-N 3.28Å; D401-N403 WeakPolarHBondContact OD1-CA 3.41Å; D401-N403 PolarHBondContact OD1-N 3.17Å; D401-N403 PolarHBondContact OD1-ND2 3.01Å; D401-N403 PolarHBondContact OD2-ND2 3.16Å; N403-R405 VanDerWaalsContact O-CD 3.28Å; N403-R405 WeakPolarHBondContact O-CD 3.42Å; N403-R405 WeakPolarHBondContact O-CG 3.39Å; N403-R405 PolarHBondContact O-NE 3.22Å; N403-R405 PolarHBondContact OD1-NH2 3.47Å; N403-C477 PolarHBondContact N-O 2.91Å
404	Y	98.8	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.			trans	-63.6	139.1	172.1	-71	-80.3	0	0	0	110.6	L357 F364 R367 N368 L402 Q431 L432 Q435 F442	L357-Y404 HydrophobicContact CD1-CE2 4.07Å; F364-Y404 HydrophobicContact CB-CD1 4.4Å; F364-Y404 HydrophobicContact CB-CE1 4.36Å; R367-Y404 HydrophobicContact CB-CD1 4.43Å; R367-Y404 HydrophobicContact CB-CE1 3.72Å; R367-Y404 HydrophobicContact CB-CE2 4.04Å; R367-Y404 VanDerWaalsContact CB-CZ 3.49Å; R367-Y404 WeakPolarHBondContact CB-OH 3.2Å; N368-Y404 PolarHBondContact N-OH 2.87Å; N368-Y404 PolarHBondContact OD1-OH 3.36Å; N368-Y404 VanDerWaalsContact OD1-OH 3.07Å; L402-Y404 HydrophobicContact CB-CD2 3.76Å; L402-Y404 HydrophobicContact CB-CE2 4.16Å; L402-Y404 VanDerWaalsContact O-CD2 3.24Å; L402-Y404 WeakPolarHBondContact O-CD2 3.49Å; L402-Y404 PolarHBondContact O-N 3.19Å; Y404-Q431 HydrophobicContact CD1-CB 3.75Å; Y404-Q431 HydrophobicContact CG-CB 4.37Å; Y404-L432 HydrophobicContact CD1-CB 4.35Å; Y404-L432 HydrophobicContact CD2-CB 3.78Å; Y404-L432 HydrophobicContact CD2-CD1 3.88Å; Y404-L432 HydrophobicContact CD2-CD2 4.35Å; Y404-L432 HydrophobicContact CD2-CG 4.21Å; Y404-L432 HydrophobicContact CE2-CB 4.46Å; Y404-L432 HydrophobicContact CE2-CD1 3.72Å; Y404-L432 HydrophobicContact CG-CB 3.72Å; Y404-L432 HydrophobicContact CG-CD1 4.5Å; Y404-Q435 HydrophobicContact CE1-CG 3.93Å; Y404-F442 HydrophobicContact CE2-CE2 4.19Å
405	R	98.4	Very high	96.9	Very high	19 Å²	19	26.2 Å²	26.2	7%	0.072	13%	0.132	C	C	.	.			trans	-117.1	-173.9	-172.9	-52.1	-53.3	178.7	94.4	-13.2	110.4	V361 N403 Q431 Y456 A475	V361-R405 HydrophobicContact CB-CB 4.03Å; V361-R405 HydrophobicContact CB-CG 4.03Å; V361-R405 HydrophobicContact CG2-CB 3.85Å; V361-R405 HydrophobicContact CG2-CG 4.4Å; N403-R405 VanDerWaalsContact O-CD 3.28Å; N403-R405 WeakPolarHBondContact O-CD 3.42Å; N403-R405 WeakPolarHBondContact O-CG 3.39Å; N403-R405 PolarHBondContact O-NE 3.22Å; N403-R405 PolarHBondContact OD1-NH2 3.47Å; R405-Q431 VanDerWaalsContact O-CB 3.26Å; R405-Q431 WeakPolarHBondContact O-CB 3.48Å; R405-Q431 WeakPolarHBondContact O-CG 3.35Å; R405-Q431 PolarHBondContact O-N 3.45Å; R405-Y456 VanDerWaalsContact NH1-CE1 3.31Å; R405-A475 HydrophobicContact CB-CB 4.43Å
406	L	97.9	Very high	96.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-90.2	142	171.2	-56.1	177.2	0	0	0	110.2	L408 V414 L426 Y429 D430 I473 P474 W476	L406-L408 HydrophobicContact CB-CB 4.24Å; L406-L408 PolarHBondContact O-N 3.44Å; L406-L408 VanDerWaalsContact O-N 3.1Å; L406-V414 HydrophobicContact CD1-CG1 3.82Å; L406-V414 HydrophobicContact CD1-CG2 3.91Å; L406-L426 HydrophobicContact CD1-CD1 3.64Å; L406-L426 HydrophobicContact CD1-CD2 4.18Å; L406-L426 HydrophobicContact CD1-CG 3.85Å; L406-L426 HydrophobicContact CD2-CG 4.39Å; L406-Y429 CarbonylContact C-O 3.56Å; L406-Y429 WeakPolarHBondContact CA-O 3.48Å; L406-D430 HydrophobicContact CD2-CB 4.37Å; L406-I473 HydrophobicContact CD1-CG2 4.48Å; L406-P474 WeakPolarHBondContact CD1-O 3.47Å; L406-W476 HydrophobicContact CD2-CE3 4.14Å; L406-W476 HydrophobicContact CD2-CZ3 4.07Å
407	F	96.1	Very high	96.8	Very high	61 Å²	61	31.4 Å²	31.4	27%	0.268	16%	0.156	S	C	.	.	S	Bend	trans	-79.4	41.9	160.4	-70.6	-53.1	0	0	0	111.7	F364 Y429 Q431 I434	F364-F407 AromaticContact CD1-CE1 3.72Å; F364-F407 HydrophobicContact CD1-CE1 3.72Å; F364-F407 AromaticContact CD1-CZ 3.72Å; F364-F407 HydrophobicContact CD1-CZ 3.72Å; F364-F407 HydrophobicContact CD2-CZ 4.15Å; F364-F407 AromaticContact CE1-CE1 3.51Å; F364-F407 HydrophobicContact CE1-CE1 3.51Å; F364-F407 AromaticContact CE1-CZ 3.51Å; F364-F407 HydrophobicContact CE1-CZ 3.51Å; F364-F407 AromaticContact CE2-CZ 3.93Å; F364-F407 HydrophobicContact CE2-CZ 3.93Å; F364-F407 HydrophobicContact CG-CE1 4.45Å; F364-F407 HydrophobicContact CG-CZ 4.05Å; F364-F407 HydrophobicContact CZ-CE1 4.07Å; F364-F407 AromaticContact CZ-CZ 3.62Å; F364-F407 HydrophobicContact CZ-CZ 3.62Å; F407-Y429 PolarHBondContact N-O 2.82Å; F407-Q431 HydrophobicContact CD1-CG 4.07Å; F407-Q431 HydrophobicContact CD2-CG 3.87Å; F407-Q431 HydrophobicContact CE1-CG 3.88Å; F407-Q431 VanDerWaalsContact CE1-NE2 3.27Å; F407-Q431 HydrophobicContact CE2-CB 4.49Å; F407-Q431 HydrophobicContact CE2-CG 3.69Å; F407-Q431 HydrophobicContact CG-CG 4.06Å; F407-Q431 HydrophobicContact CZ-CG 3.69Å; F407-I434 HydrophobicContact CD2-CD1 3.56Å; F407-I434 HydrophobicContact CE2-CD1 3.95Å
408	L	92.4	Very high	96.7	Very high	18 Å²	18	32.1 Å²	32.1	9%	0.094	16%	0.16	C	C	.	.			trans	-131.7	110.3	175.5	-168.7	57.7	0	0	0	107.7	L406 E413 V414 L417 L426 Y429	L406-L408 HydrophobicContact CB-CB 4.24Å; L406-L408 PolarHBondContact O-N 3.44Å; L406-L408 VanDerWaalsContact O-N 3.1Å; L408-E413 HydrophobicContact CD2-CG 4.29Å; L408-V414 HydrophobicContact CB-CG2 4.01Å; L408-V414 HydrophobicContact CD2-CG2 3.72Å; L408-V414 HydrophobicContact CG-CG2 3.82Å; L408-L417 HydrophobicContact CD2-CD1 4.04Å; L408-L426 HydrophobicContact CD2-CD1 4.05Å; L408-Y429 HydrophobicContact CB-CD1 4.2Å; L408-Y429 HydrophobicContact CB-CG 4.19Å; L408-Y429 HydrophobicContact CD1-CD1 4.47Å; L408-Y429 HydrophobicContact CD1-CE1 4.31Å; L408-Y429 HydrophobicContact CD2-CD2 4.42Å
409	Y	90.6	Very high	96.7	Very high	135 Å²	135	36.3 Å²	36.3	53%	0.529	20%	0.195	S	C	.	.			trans	-92.6	-12.3	-168.5	-63.5	-82.6	0	0	0	113.8	V361 T411	V361-Y409 HydrophobicContact CG1-CE1 4.04Å; V361-Y409 HydrophobicContact CG2-CE1 3.9Å; Y409-T411 PolarHBondContact O-N 3.36Å
410	D	94	Very high	96.6	Very high	85 Å²	85	42.1 Å²	42.1	46%	0.455	22%	0.222	S	C	.	.			trans	-82	105.7	173.6	-172.1	-15	0	0	0	110.7	A412 E413 V414	D410-A412 PolarHBondContact O-N 2.96Å; D410-A412 WeakPolarHBondContact OD1-CA 3.3Å; D410-A412 VanDerWaalsContact OD1-CB 3.3Å; D410-A412 WeakPolarHBondContact OD1-CB 3.39Å; D410-A412 PolarHBondContact OD1-N 3.16Å; D410-E413 HydrophobicContact CB-CB 3.94Å; D410-E413 PolarHBondContact O-N 3.41Å; D410-E413 PolarHBondContact OD1-N 3.42Å; D410-V414 WeakPolarHBondContact O-CG2 3.45Å; D410-V414 PolarHBondContact O-N 3.44Å
411	T	93.5	Very high	96.5	Very high	30 Å²	30	47.7 Å²	47.7	18%	0.184	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-29.6	176.2	-54	0	0	0	0	113.1	Y409 K415 I473	Y409-T411 PolarHBondContact O-N 3.36Å; T411-K415 HydrophobicContact CG2-CD 4Å; T411-K415 WeakPolarHBondContact O-CB 3.27Å; T411-K415 VanDerWaalsContact O-CG 3.24Å; T411-K415 WeakPolarHBondContact O-CG 3.32Å; T411-K415 PolarHBondContact O-N 2.95Å; T411-K415 VanDerWaalsContact O-N 3.09Å; T411-I473 VanDerWaalsContact OG1-CG1 3.24Å; T411-I473 WeakPolarHBondContact OG1-CG1 3.4Å
412	A	94.4	Very high	96.4	Very high	67 Å²	67	49 Å²	49	55%	0.554	26%	0.263	S	S	*	.	H	α-helix	trans	-73.8	-45.6	178.2	0	0	0	0	0	110.9	D410 V414 K415 H416	D410-A412 PolarHBondContact O-N 2.96Å; D410-A412 WeakPolarHBondContact OD1-CA 3.3Å; D410-A412 VanDerWaalsContact OD1-CB 3.3Å; D410-A412 WeakPolarHBondContact OD1-CB 3.39Å; D410-A412 PolarHBondContact OD1-N 3.16Å; A412-V414 PolarHBondContact O-N 3.14Å; A412-K415 PolarHBondContact O-N 3Å; A412-H416 WeakPolarHBondContact O-CB 3.29Å; A412-H416 PolarHBondContact O-N 2.92Å
413	E	96.4	Very high	96.4	Very high	66 Å²	66	49.5 Å²	49.5	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-46.4	174.1	-171	-179.1	179.2	0	0	111.2	L408 D410 K415 H416 L417	L408-E413 HydrophobicContact CD2-CG 4.29Å; D410-E413 HydrophobicContact CB-CB 3.94Å; D410-E413 PolarHBondContact O-N 3.41Å; D410-E413 PolarHBondContact OD1-N 3.42Å; E413-K415 PolarHBondContact O-N 3.03Å; E413-H416 PolarHBondContact O-N 3.37Å; E413-L417 HydrophobicContact CG-CD1 4.08Å; E413-L417 HydrophobicContact CG-CG 4.42Å; E413-L417 WeakPolarHBondContact O-CG 3.3Å; E413-L417 PolarHBondContact O-N 3.42Å
414	V	97.4	Very high	96.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-46.9	176.7	171.6	0	0	0	0	111.3	L406 L408 D410 A412 H416 L417 I418 L426 I473 P474	L406-V414 HydrophobicContact CD1-CG1 3.82Å; L406-V414 HydrophobicContact CD1-CG2 3.91Å; L408-V414 HydrophobicContact CB-CG2 4.01Å; L408-V414 HydrophobicContact CD2-CG2 3.72Å; L408-V414 HydrophobicContact CG-CG2 3.82Å; D410-V414 WeakPolarHBondContact O-CG2 3.45Å; D410-V414 PolarHBondContact O-N 3.44Å; A412-V414 PolarHBondContact O-N 3.14Å; V414-H416 VanDerWaalsContact C-N 3.33Å; V414-H416 PolarHBondContact O-N 3.33Å; V414-L417 PolarHBondContact O-N 3.13Å; V414-I418 HydrophobicContact CG1-CD1 3.83Å; V414-I418 WeakPolarHBondContact O-CD1 3.27Å; V414-I418 WeakPolarHBondContact O-CG1 3.48Å; V414-I418 PolarHBondContact O-N 3.46Å; V414-I418 VanDerWaalsContact O-N 3.08Å; V414-L426 HydrophobicContact CG1-CD1 4.34Å; V414-L426 HydrophobicContact CG1-CD2 4.36Å; V414-L426 HydrophobicContact CG2-CD1 4.22Å; V414-I473 HydrophobicContact CB-CG2 4.2Å; V414-I473 HydrophobicContact CG1-CG2 4.05Å; V414-I473 HydrophobicContact CG2-CG2 3.82Å; V414-P474 HydrophobicContact CG1-CB 4.07Å; V414-P474 HydrophobicContact CG1-CG 4.06Å
415	K	96.3	Very high	96.2	Very high	61 Å²	61	61.5 Å²	61.5	27%	0.265	32%	0.317	S	S	.	.	H	α-helix	trans	-65.6	-35.3	178.5	-75.7	173.2	-179.6	175.4	0	112.2	T411 A412 E413 A419 P474	T411-K415 HydrophobicContact CG2-CD 4Å; T411-K415 WeakPolarHBondContact O-CB 3.27Å; T411-K415 VanDerWaalsContact O-CG 3.24Å; T411-K415 WeakPolarHBondContact O-CG 3.32Å; T411-K415 PolarHBondContact O-N 2.95Å; T411-K415 VanDerWaalsContact O-N 3.09Å; A412-K415 PolarHBondContact O-N 3Å; E413-K415 PolarHBondContact O-N 3.03Å; K415-A419 WeakPolarHBondContact O-CB 3.23Å; K415-A419 PolarHBondContact O-N 3.17Å; K415-P474 HydrophobicContact CG-CG 4.33Å
416	H	97.3	Very high	96.2	Very high	102 Å²	102	60.6 Å²	60.6	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-66.4	-49.2	175.5	178	42.3	0	0	0	111.8	A412 E413 V414 I418 A419 E420	A412-H416 WeakPolarHBondContact O-CB 3.29Å; A412-H416 PolarHBondContact O-N 2.92Å; E413-H416 PolarHBondContact O-N 3.37Å; V414-H416 VanDerWaalsContact C-N 3.33Å; V414-H416 PolarHBondContact O-N 3.33Å; H416-I418 VanDerWaalsContact C-N 3.26Å; H416-I418 PolarHBondContact O-N 2.93Å; H416-A419 WeakPolarHBondContact O-CB 3.31Å; H416-A419 PolarHBondContact O-N 3.42Å; H416-E420 IonicContact CE1-OE1 2.72Å; H416-E420 PolarHBondContact CE1-OE1 2.76Å; H416-E420 IonicContact CE1-OE2 3.2Å; H416-E420 IonicContact ND1-OE1 3.4Å; H416-E420 IonicContact NE2-OE1 2.81Å; H416-E420 PolarHBondContact O-N 2.83Å
417	L	97.8	Very high	96.2	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-34.3	176.3	-70	171.9	0	0	0	112.7	L408 E413 V414 N421 A422 K425 L426	L408-L417 HydrophobicContact CD2-CD1 4.04Å; E413-L417 HydrophobicContact CG-CD1 4.08Å; E413-L417 HydrophobicContact CG-CG 4.42Å; E413-L417 WeakPolarHBondContact O-CG 3.3Å; E413-L417 PolarHBondContact O-N 3.42Å; V414-L417 PolarHBondContact O-N 3.13Å; L417-N421 PolarHBondContact O-N 3.12Å; L417-A422 HydrophobicContact CB-CB 4.38Å; L417-A422 HydrophobicContact CD2-CB 3.9Å; L417-A422 WeakPolarHBondContact O-CB 3.45Å; L417-A422 PolarHBondContact O-N 2.85Å; L417-K425 HydrophobicContact CD2-CD 4.05Å; L417-L426 HydrophobicContact CB-CD1 4.38Å; L417-L426 HydrophobicContact CD1-CD1 3.91Å
418	I	97.6	Very high	96.2	Very high	17 Å²	17	65.4 Å²	65.4	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-68.6	-43.3	172.9	-64.7	161.4	0	0	0	111	V414 H416 E420 N421 L426 V453 P454 W465 P474	V414-I418 HydrophobicContact CG1-CD1 3.83Å; V414-I418 WeakPolarHBondContact O-CD1 3.27Å; V414-I418 WeakPolarHBondContact O-CG1 3.48Å; V414-I418 PolarHBondContact O-N 3.46Å; V414-I418 VanDerWaalsContact O-N 3.08Å; H416-I418 VanDerWaalsContact C-N 3.26Å; H416-I418 PolarHBondContact O-N 2.93Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.49Å; I418-N421 PolarHBondContact O-N 3.01Å; I418-L426 HydrophobicContact CD1-CD2 4.16Å; I418-L426 HydrophobicContact CG1-CD2 3.61Å; I418-V453 HydrophobicContact CG2-CB 4.17Å; I418-V453 HydrophobicContact CG2-CG1 3.94Å; I418-P454 HydrophobicContact CD1-CG 3.76Å; I418-P454 HydrophobicContact CG1-CG 4.2Å; I418-W465 HydrophobicContact CD1-CH2 4.37Å; I418-W465 HydrophobicContact CD1-CZ2 4.08Å; I418-W465 HydrophobicContact CG2-CZ2 4.03Å; I418-P474 HydrophobicContact CD1-CB 3.72Å; I418-P474 HydrophobicContact CD1-CG 3.99Å
419	A	97.1	Very high	96.5	Very high	88 Å²	88	68 Å²	68	73%	0.727	35%	0.346	S	S	*	.	H	α-helix	trans	-64.5	-34	179.1	0	0	0	0	0	112.9	K415 H416 N421	K415-A419 WeakPolarHBondContact O-CB 3.23Å; K415-A419 PolarHBondContact O-N 3.17Å; H416-A419 WeakPolarHBondContact O-CB 3.31Å; H416-A419 PolarHBondContact O-N 3.42Å; A419-N421 PolarHBondContact O-N 3.23Å
420	E	97.4	Very high	96.9	Very high	122 Å²	122	61.6 Å²	61.6	57%	0.57	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	0.5	172.7	-64.2	-166.9	147	0	0	113.8	H416 I418 A422	H416-E420 IonicContact CE1-OE1 2.72Å; H416-E420 PolarHBondContact CE1-OE1 2.76Å; H416-E420 IonicContact CE1-OE2 3.2Å; H416-E420 IonicContact ND1-OE1 3.4Å; H416-E420 IonicContact NE2-OE1 2.81Å; H416-E420 PolarHBondContact O-N 2.83Å; I418-E420 VanDerWaalsContact C-N 3.31Å; I418-E420 PolarHBondContact O-N 3.49Å; E420-A422 HydrophobicContact CB-CB 4.47Å; E420-A422 PolarHBondContact O-N 2.73Å
421	N	96.5	Very high	97.1	Very high	116 Å²	116	57.5 Å²	57.5	62%	0.62	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	27.3	-173.5	-165.6	38.6	0	0	0	113.6	L417 I418 A419 L423	L417-N421 PolarHBondContact O-N 3.12Å; I418-N421 PolarHBondContact O-N 3.01Å; A419-N421 PolarHBondContact O-N 3.23Å; N421-L423 PolarHBondContact O-N 3.01Å; N421-L423 WeakPolarHBondContact OD1-CD1 3.27Å
422	A	97.5	Very high	97.3	Very high	29 Å²	29	56.1 Å²	56.1	24%	0.24	29%	0.29	C	S	.	.			trans	-77	39.3	179	0	0	0	0	0	112.6	L417 E420 K424 K425 L426	L417-A422 HydrophobicContact CB-CB 4.38Å; L417-A422 HydrophobicContact CD2-CB 3.9Å; L417-A422 WeakPolarHBondContact O-CB 3.45Å; L417-A422 PolarHBondContact O-N 2.85Å; E420-A422 HydrophobicContact CB-CB 4.47Å; E420-A422 PolarHBondContact O-N 2.73Å; A422-K424 VanDerWaalsContact C-N 3.28Å; A422-K424 PolarHBondContact O-N 3.13Å; A422-K425 PolarHBondContact O-N 3.22Å; A422-K425 VanDerWaalsContact O-N 3.16Å; A422-L426 PolarHBondContact O-N 3.44Å
423	L	97.6	Very high	97.5	Very high	11 Å²	11	54 Å²	54	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-31.7	-167	-55.7	-175.7	0	0	0	113.4	N421 L426 Q427 V453 W476	N421-L423 PolarHBondContact O-N 3.01Å; N421-L423 WeakPolarHBondContact OD1-CD1 3.27Å; L423-L426 PolarHBondContact O-N 3.08Å; L423-Q427 WeakPolarHBondContact O-CB 3.46Å; L423-Q427 VanDerWaalsContact O-CG 3.26Å; L423-Q427 WeakPolarHBondContact O-CG 3.31Å; L423-Q427 PolarHBondContact O-N 2.63Å; L423-Q427 PolarHBondContact O-NE2 3.27Å; L423-Q427 VanDerWaalsContact O-NE2 3.16Å; L423-V453 HydrophobicContact CD1-CG1 4.39Å; L423-V453 HydrophobicContact CD2-CG1 4.36Å; L423-W476 HydrophobicContact CB-CH2 4.43Å; L423-W476 HydrophobicContact CB-CZ2 4.37Å; L423-W476 HydrophobicContact CD2-CH2 4.46Å; L423-W476 HydrophobicContact CD2-CZ2 4.21Å
424	K	97.2	Very high	97.6	Very high	161 Å²	161	52.9 Å²	52.9	70%	0.7	27%	0.266	S	S	*	.	H	α-helix	trans	-65.1	-44.8	177.2	-68.6	-169.5	-178.9	-170.9	0	112.2	A422 L426 Q427 E428	A422-K424 VanDerWaalsContact C-N 3.28Å; A422-K424 PolarHBondContact O-N 3.13Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.15Å; K424-Q427 WeakPolarHBondContact O-CB 3.33Å; K424-Q427 PolarHBondContact O-N 2.7Å; K424-E428 PolarHBondContact O-N 2.98Å
425	K	96.9	Very high	97.7	Very high	94 Å²	94	53.3 Å²	53.3	41%	0.409	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-42.8	174.1	-177.5	-175.5	173	-163.6	0	110.4	L417 A422 Q427 E428 Y429	L417-K425 HydrophobicContact CD2-CD 4.05Å; A422-K425 PolarHBondContact O-N 3.22Å; A422-K425 VanDerWaalsContact O-N 3.16Å; K425-Q427 VanDerWaalsContact C-N 3.28Å; K425-Q427 PolarHBondContact O-N 3.36Å; K425-E428 WeakPolarHBondContact O-CB 3.46Å; K425-E428 PolarHBondContact O-N 2.91Å; K425-E428 VanDerWaalsContact O-N 3.16Å; K425-Y429 WeakPolarHBondContact O-CD2 3.31Å
426	L	97.8	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-33.1	178.3	-166.2	64.3	0	0	0	112.7	L406 L408 V414 L417 I418 A422 L423 K424 E428 Y429 P454 W476	L406-L426 HydrophobicContact CD1-CD1 3.64Å; L406-L426 HydrophobicContact CD1-CD2 4.18Å; L406-L426 HydrophobicContact CD1-CG 3.85Å; L406-L426 HydrophobicContact CD2-CG 4.39Å; L408-L426 HydrophobicContact CD2-CD1 4.05Å; V414-L426 HydrophobicContact CG1-CD1 4.34Å; V414-L426 HydrophobicContact CG1-CD2 4.36Å; V414-L426 HydrophobicContact CG2-CD1 4.22Å; L417-L426 HydrophobicContact CB-CD1 4.38Å; L417-L426 HydrophobicContact CD1-CD1 3.91Å; I418-L426 HydrophobicContact CD1-CD2 4.16Å; I418-L426 HydrophobicContact CG1-CD2 3.61Å; A422-L426 PolarHBondContact O-N 3.44Å; L423-L426 PolarHBondContact O-N 3.08Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.15Å; L426-E428 VanDerWaalsContact C-N 3.27Å; L426-E428 PolarHBondContact O-N 2.75Å; L426-Y429 PolarHBondContact O-N 3.02Å; L426-P454 HydrophobicContact CD2-CG 4.4Å; L426-W476 HydrophobicContact CB-CH2 4.02Å; L426-W476 HydrophobicContact CB-CZ3 4.22Å; L426-W476 HydrophobicContact CD2-CH2 3.75Å; L426-W476 HydrophobicContact CD2-CZ3 4Å; L426-W476 HydrophobicContact CG-CH2 4Å; L426-W476 HydrophobicContact CG-CZ3 3.91Å
427	Q	97.7	Very high	97.7	Very high	28 Å²	28	55.1 Å²	55.1	13%	0.131	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-15	175.7	-77.3	167.1	59.5	0	0	114.5	L423 K424 K425 Y429 D430 N433 I450 W476	L423-Q427 WeakPolarHBondContact O-CB 3.46Å; L423-Q427 VanDerWaalsContact O-CG 3.26Å; L423-Q427 WeakPolarHBondContact O-CG 3.31Å; L423-Q427 PolarHBondContact O-N 2.63Å; L423-Q427 PolarHBondContact O-NE2 3.27Å; L423-Q427 VanDerWaalsContact O-NE2 3.16Å; K424-Q427 WeakPolarHBondContact O-CB 3.33Å; K424-Q427 PolarHBondContact O-N 2.7Å; K425-Q427 VanDerWaalsContact C-N 3.28Å; K425-Q427 PolarHBondContact O-N 3.36Å; Q427-Y429 PolarHBondContact O-N 2.83Å; Q427-D430 WeakPolarHBondContact O-CB 3.46Å; Q427-D430 PolarHBondContact O-N 3.29Å; Q427-N433 PolarHBondContact O-ND2 2.84Å; Q427-N433 VanDerWaalsContact O-ND2 3.14Å; Q427-I450 PolarHBondContact NE2-O 2.9Å; Q427-W476 HydrophobicContact CG-CE3 4.24Å; Q427-W476 HydrophobicContact CG-CH2 3.74Å; Q427-W476 HydrophobicContact CG-CZ2 4.36Å; Q427-W476 HydrophobicContact CG-CZ3 3.67Å
428	E	97.3	Very high	97.7	Very high	135 Å²	135	58.5 Å²	58.5	63%	0.631	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.6	170.7	-63.3	170.2	-155.1	0	0	111.4	K424 K425 L426	K424-E428 PolarHBondContact O-N 2.98Å; K425-E428 WeakPolarHBondContact O-CB 3.46Å; K425-E428 PolarHBondContact O-N 2.91Å; K425-E428 VanDerWaalsContact O-N 3.16Å; L426-E428 VanDerWaalsContact C-N 3.27Å; L426-E428 PolarHBondContact O-N 2.75Å
429	Y	98	Very high	97.7	Very high	73 Å²	73	65.3 Å²	65.3	29%	0.286	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-3.4	175.5	-55.6	-91.4	0	0	0	113.2	L406 F407 L408 K425 L426 Q427 Q431	L406-Y429 CarbonylContact C-O 3.56Å; L406-Y429 WeakPolarHBondContact CA-O 3.48Å; F407-Y429 PolarHBondContact N-O 2.82Å; L408-Y429 HydrophobicContact CB-CD1 4.2Å; L408-Y429 HydrophobicContact CB-CG 4.19Å; L408-Y429 HydrophobicContact CD1-CD1 4.47Å; L408-Y429 HydrophobicContact CD1-CE1 4.31Å; L408-Y429 HydrophobicContact CD2-CD2 4.42Å; K425-Y429 WeakPolarHBondContact O-CD2 3.31Å; L426-Y429 PolarHBondContact O-N 3.02Å; Q427-Y429 PolarHBondContact O-N 2.83Å; Y429-Q431 PolarHBondContact O-N 3.34Å
430	D	98.5	Very high	97.7	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-67.7	119.5	-178.8	177.8	72.2	0	0	0	111.2	L406 Q427 L432 N433 I434 R479	L406-D430 HydrophobicContact CD2-CB 4.37Å; Q427-D430 WeakPolarHBondContact O-CB 3.46Å; Q427-D430 PolarHBondContact O-N 3.29Å; D430-L432 VanDerWaalsContact C-N 3.3Å; D430-L432 PolarHBondContact O-N 3.03Å; D430-L432 WeakPolarHBondContact OD2-CB 3.34Å; D430-L432 PolarHBondContact OD2-N 2.88Å; D430-N433 HydrophobicContact CB-CB 4.11Å; D430-N433 PolarHBondContact O-N 3.26Å; D430-N433 VanDerWaalsContact OD2-CG 3.22Å; D430-N433 PolarHBondContact OD2-N 2.88Å; D430-N433 PolarHBondContact OD2-OD1 2.98Å; D430-I434 WeakPolarHBondContact O-CG1 3.3Å; D430-I434 PolarHBondContact O-N 3.49Å; D430-I434 VanDerWaalsContact O-N 3.08Å; D430-R479 VanDerWaalsContact CG-NH1 3.29Å; D430-R479 IonicContact OD1-CZ 3.05Å; D430-R479 IonicContact OD1-NH1 2.86Å; D430-R479 PolarHBondContact OD1-NH1 2.82Å; D430-R479 IonicContact OD2-CZ 3.9Å; D430-R479 IonicContact OD2-NH1 2.59Å; D430-R479 PolarHBondContact OD2-NH1 3.07Å; D430-R479 VanDerWaalsContact OD2-NH1 3.08Å; D430-R479 IonicContact OD2-NH2 3.45Å; D430-R479 PolarHBondContact OD2-NH2 2.91Å
431	Q	98.7	Very high	97.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-38.9	-176.8	-74.1	172.6	-10.6	0	0	112.1	V361 Y404 R405 F407 Y429 I434 Q435	V361-Q431 PolarHBondContact O-NE2 2.77Å; Y404-Q431 HydrophobicContact CD1-CB 3.75Å; Y404-Q431 HydrophobicContact CG-CB 4.37Å; R405-Q431 VanDerWaalsContact O-CB 3.26Å; R405-Q431 WeakPolarHBondContact O-CB 3.48Å; R405-Q431 WeakPolarHBondContact O-CG 3.35Å; R405-Q431 PolarHBondContact O-N 3.45Å; F407-Q431 HydrophobicContact CD1-CG 4.07Å; F407-Q431 HydrophobicContact CD2-CG 3.87Å; F407-Q431 HydrophobicContact CE1-CG 3.88Å; F407-Q431 VanDerWaalsContact CE1-NE2 3.27Å; F407-Q431 HydrophobicContact CE2-CB 4.49Å; F407-Q431 HydrophobicContact CE2-CG 3.69Å; F407-Q431 HydrophobicContact CG-CG 4.06Å; F407-Q431 HydrophobicContact CZ-CG 3.69Å; Y429-Q431 PolarHBondContact O-N 3.34Å; Q431-I434 PolarHBondContact O-N 2.63Å; Q431-Q435 WeakPolarHBondContact O-CB 3.29Å; Q431-Q435 VanDerWaalsContact O-CG 3.24Å; Q431-Q435 WeakPolarHBondContact O-CG 3.49Å; Q431-Q435 PolarHBondContact O-N 2.96Å
432	L	98.7	Very high	97.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-43.6	-179	178.6	58.3	0	0	0	111.4	L402 Y404 D430 I434 Q435 R436 F442 R479 L481	L402-L432 HydrophobicContact CD1-CD2 3.72Å; Y404-L432 HydrophobicContact CD1-CB 4.35Å; Y404-L432 HydrophobicContact CD2-CB 3.78Å; Y404-L432 HydrophobicContact CD2-CD1 3.88Å; Y404-L432 HydrophobicContact CD2-CD2 4.35Å; Y404-L432 HydrophobicContact CD2-CG 4.21Å; Y404-L432 HydrophobicContact CE2-CB 4.46Å; Y404-L432 HydrophobicContact CE2-CD1 3.72Å; Y404-L432 HydrophobicContact CG-CB 3.72Å; Y404-L432 HydrophobicContact CG-CD1 4.5Å; D430-L432 VanDerWaalsContact C-N 3.3Å; D430-L432 PolarHBondContact O-N 3.03Å; D430-L432 WeakPolarHBondContact OD2-CB 3.34Å; D430-L432 PolarHBondContact OD2-N 2.88Å; L432-I434 VanDerWaalsContact C-N 3.31Å; L432-I434 PolarHBondContact O-N 2.62Å; L432-Q435 PolarHBondContact O-N 3.34Å; L432-R436 HydrophobicContact CD1-CG 4.01Å; L432-R436 HydrophobicContact CG-CG 4.47Å; L432-R436 WeakPolarHBondContact O-CB 3.16Å; L432-R436 WeakPolarHBondContact O-CG 3.5Å; L432-R436 PolarHBondContact O-N 3.42Å; L432-F442 HydrophobicContact CD1-CD2 3.68Å; L432-F442 HydrophobicContact CD1-CE2 4.19Å; L432-F442 HydrophobicContact CD1-CG 4.36Å; L432-R479 HydrophobicContact CD2-CB 4.3Å; L432-R479 HydrophobicContact CD2-CG 3.94Å; L432-L481 HydrophobicContact CD2-CD1 4.19Å; L432-L481 HydrophobicContact CD2-CD2 4.4Å
433	N	98.3	Very high	97.7	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-55.1	-48.8	173.1	-72.6	-15.8	0	0	0	110.8	Q427 D430 R436 Q437 R479	Q427-N433 PolarHBondContact O-ND2 2.84Å; Q427-N433 VanDerWaalsContact O-ND2 3.14Å; D430-N433 HydrophobicContact CB-CB 4.11Å; D430-N433 PolarHBondContact O-N 3.26Å; D430-N433 VanDerWaalsContact OD2-CG 3.22Å; D430-N433 PolarHBondContact OD2-N 2.88Å; D430-N433 PolarHBondContact OD2-OD1 2.98Å; N433-R436 PolarHBondContact O-N 3.44Å; N433-Q437 WeakPolarHBondContact O-CB 3.4Å; N433-Q437 WeakPolarHBondContact O-CG 3.35Å; N433-Q437 PolarHBondContact O-N 3.46Å; N433-R479 PolarHBondContact OD1-NH2 3.38Å
434	I	98.4	Very high	97.5	Very high	42 Å²	42	64 Å²	64	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-45.8	178.4	-65	163.9	0	0	0	111.4	F407 D430 Q431 L432 R436 Q437 T438	F407-I434 HydrophobicContact CD2-CD1 3.56Å; F407-I434 HydrophobicContact CE2-CD1 3.95Å; D430-I434 WeakPolarHBondContact O-CG1 3.3Å; D430-I434 PolarHBondContact O-N 3.49Å; D430-I434 VanDerWaalsContact O-N 3.08Å; Q431-I434 PolarHBondContact O-N 2.63Å; L432-I434 VanDerWaalsContact C-N 3.31Å; L432-I434 PolarHBondContact O-N 2.62Å; I434-R436 VanDerWaalsContact C-N 3.29Å; I434-R436 PolarHBondContact O-N 3.36Å; I434-Q437 PolarHBondContact O-N 3.36Å; I434-T438 HydrophobicContact CG2-CG2 4.33Å; I434-T438 WeakPolarHBondContact O-CB 3.45Å; I434-T438 WeakPolarHBondContact O-CG2 3.33Å; I434-T438 PolarHBondContact O-N 3.38Å; I434-T438 PolarHBondContact O-OG1 3.29Å
435	Q	98.4	Very high	97.6	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-31.2	179.3	-65.9	-39.9	-67.8	0	0	112.5	F364 N368 Y404 Q431 L432 K439 R440 A441	F364-Q435 HydrophobicContact CD2-CG 4.35Å; N368-Q435 PolarHBondContact ND2-OE1 3.04Å; N368-Q435 WeakPolarHBondContact OD1-CG 3.48Å; Y404-Q435 HydrophobicContact CE1-CG 3.93Å; Q431-Q435 WeakPolarHBondContact O-CB 3.29Å; Q431-Q435 VanDerWaalsContact O-CG 3.24Å; Q431-Q435 WeakPolarHBondContact O-CG 3.49Å; Q431-Q435 PolarHBondContact O-N 2.96Å; L432-Q435 PolarHBondContact O-N 3.34Å; Q435-K439 PolarHBondContact O-N 3.01Å; Q435-R440 HydrophobicContact CB-CB 4.38Å; Q435-R440 PolarHBondContact O-N 3.49Å; Q435-R440 VanDerWaalsContact OE1-CB 3.29Å; Q435-A441 PolarHBondContact O-N 3.4Å
436	R	98	Very high	97.7	Very high	54 Å²	54	56.5 Å²	56.5	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-73.6	-48.9	173.8	-76	169.4	65.2	-138.7	-4	112.1	L432 N433 I434 T438 K439 F442 F445 E447	L432-R436 HydrophobicContact CD1-CG 4.01Å; L432-R436 HydrophobicContact CG-CG 4.47Å; L432-R436 WeakPolarHBondContact O-CB 3.16Å; L432-R436 WeakPolarHBondContact O-CG 3.5Å; L432-R436 PolarHBondContact O-N 3.42Å; N433-R436 PolarHBondContact O-N 3.44Å; I434-R436 VanDerWaalsContact C-N 3.29Å; I434-R436 PolarHBondContact O-N 3.36Å; R436-T438 VanDerWaalsContact C-N 3.32Å; R436-T438 PolarHBondContact O-N 3.11Å; R436-K439 WeakPolarHBondContact O-CA 3.28Å; R436-K439 PolarHBondContact O-N 2.9Å; R436-F442 HydrophobicContact CG-CB 3.75Å; R436-F445 PolarHBondContact NE-O 3.31Å; R436-F445 PolarHBondContact NH2-O 3.44Å; R436-E447 VanDerWaalsContact NH1-CB 3.26Å; R436-E447 IonicContact NH1-OE2 3.78Å; R436-E447 PolarHBondContact NH1-OE2 3.29Å; R436-E447 VanDerWaalsContact NH1-OE2 3.13Å
437	Q	96.8	Very high	97.7	Very high	148 Å²	148	57.4 Å²	57.4	69%	0.692	27%	0.27	S	S	*	.	H	α-helix	trans	-59.9	-41.6	178	-71.1	169.7	15.3	0	0	111.8	N433 I434 K439	N433-Q437 WeakPolarHBondContact O-CB 3.4Å; N433-Q437 WeakPolarHBondContact O-CG 3.35Å; N433-Q437 PolarHBondContact O-N 3.46Å; I434-Q437 PolarHBondContact O-N 3.36Å; Q437-K439 PolarHBondContact O-N 3.21Å
438	T	97.4	Very high	97.7	Very high	78 Å²	78	56.7 Å²	56.7	48%	0.479	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	5.3	175.6	61	0	0	0	0	114.1	I434 R436 R440	I434-T438 HydrophobicContact CG2-CG2 4.33Å; I434-T438 WeakPolarHBondContact O-CB 3.45Å; I434-T438 WeakPolarHBondContact O-CG2 3.33Å; I434-T438 PolarHBondContact O-N 3.38Å; I434-T438 PolarHBondContact O-OG1 3.29Å; R436-T438 VanDerWaalsContact C-N 3.32Å; R436-T438 PolarHBondContact O-N 3.11Å; T438-R440 VanDerWaalsContact C-N 3.26Å; T438-R440 PolarHBondContact O-N 3.16Å; T438-R440 WeakPolarHBondContact OG1-CG 3.36Å
439	K	97.5	Very high	97.8	Very high	160 Å²	160	56.8 Å²	56.8	70%	0.696	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	31.4	176.8	-53.3	-178	-177.6	-179.6	0	114.7	Q435 R436 Q437 V443	Q435-K439 PolarHBondContact O-N 3.01Å; R436-K439 WeakPolarHBondContact O-CA 3.28Å; R436-K439 PolarHBondContact O-N 2.9Å; Q437-K439 PolarHBondContact O-N 3.21Å; K439-V443 HydrophobicContact CB-CG2 4.14Å
440	R	97.8	Very high	97.8	Very high	173 Å²	173	53.6 Å²	53.6	65%	0.653	26%	0.262	S	S	*	.	S	Bend	trans	-86.2	-32.1	178.8	-64.6	-63.7	-170.7	156.2	4.3	113.6	Q435 T438	Q435-R440 HydrophobicContact CB-CB 4.38Å; Q435-R440 PolarHBondContact O-N 3.49Å; Q435-R440 VanDerWaalsContact OE1-CB 3.29Å; T438-R440 VanDerWaalsContact C-N 3.26Å; T438-R440 PolarHBondContact O-N 3.16Å; T438-R440 WeakPolarHBondContact OG1-CG 3.36Å
441	A	97.8	Very high	97.7	Very high	1 Å²	1	59 Å²	59	1%	0.008	29%	0.291	C	S	.	.	S	Bend	trans	-148.6	163.8	173.7	0	0	0	0	0	111	N368 Y371 Q435 V443	N368-A441 HydrophobicContact CB-CB 4.37Å; N368-A441 WeakPolarHBondContact OD1-CB 3.34Å; Y371-A441 HydrophobicContact CD1-CB 3.81Å; Y371-A441 HydrophobicContact CE1-CB 4.31Å; Y371-A441 HydrophobicContact CG-CB 4.34Å; Q435-A441 PolarHBondContact O-N 3.4Å; A441-V443 PolarHBondContact O-N 3.25Å
442	F	97.9	Very high	97.7	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.009	30%	0.295	C	S	.	.	S	Bend	trans	50.7	40.7	177.6	-66.4	-84.2	0	0	0	114	L357 Y371 W398 L402 Y404 L432 R436 F445 L481	L357-F442 HydrophobicContact CD1-CE2 4.4Å; L357-F442 HydrophobicContact CD1-CZ 4.48Å; Y371-F442 AromaticContact CD2-CD1 3.86Å; Y371-F442 HydrophobicContact CD2-CD1 3.86Å; Y371-F442 AromaticContact CD2-CD2 3.98Å; Y371-F442 HydrophobicContact CD2-CD2 3.98Å; Y371-F442 AromaticContact CD2-CE1 3.54Å; Y371-F442 HydrophobicContact CD2-CE1 3.54Å; Y371-F442 AromaticContact CD2-CE2 3.66Å; Y371-F442 HydrophobicContact CD2-CE2 3.66Å; Y371-F442 HydrophobicContact CD2-CG 4.07Å; Y371-F442 AromaticContact CD2-CZ 3.44Å; Y371-F442 HydrophobicContact CD2-CZ 3.44Å; Y371-F442 VanDerWaalsContact CD2-CZ 3.44Å; Y371-F442 VanDerWaalsContact CE1-N 3.26Å; Y371-F442 AromaticContact CE2-CD1 3.57Å; Y371-F442 HydrophobicContact CE2-CD1 3.57Å; Y371-F442 HydrophobicContact CE2-CD2 4.27Å; Y371-F442 AromaticContact CE2-CE1 3.65Å; Y371-F442 HydrophobicContact CE2-CE1 3.65Å; Y371-F442 HydrophobicContact CE2-CE2 4.33Å; Y371-F442 AromaticContact CE2-CG 3.9Å; Y371-F442 HydrophobicContact CE2-CG 3.9Å; Y371-F442 HydrophobicContact CE2-CZ 4.04Å; Y371-F442 HydrophobicContact CG-CD2 4.22Å; Y371-F442 AromaticContact CG-CE2 3.95Å; Y371-F442 HydrophobicContact CG-CE2 3.95Å; Y371-F442 HydrophobicContact CG-CZ 4.16Å; W398-F442 HydrophobicContact CB-CE1 4.35Å; W398-F442 AromaticContact CD1-CE1 3.71Å; W398-F442 AromaticContact CD2-CE1 3.76Å; W398-F442 HydrophobicContact CD2-CE1 3.76Å; W398-F442 AromaticContact CE2-CE1 3.81Å; W398-F442 HydrophobicContact CE3-CE1 4.42Å; W398-F442 AromaticContact CG-CE1 3.7Å; W398-F442 HydrophobicContact CG-CE1 3.7Å; W398-F442 HydrophobicContact CZ2-CE1 4.49Å; W398-F442 AromaticContact NE1-CE1 3.77Å; W398-F442 AromaticContact NE1-CZ 3.88Å; L402-F442 HydrophobicContact CD1-CE2 4.33Å; L402-F442 HydrophobicContact CD1-CZ 4.03Å; L402-F442 HydrophobicContact CD2-CZ 4.43Å; Y404-F442 HydrophobicContact CE2-CE2 4.19Å; L432-F442 HydrophobicContact CD1-CD2 3.68Å; L432-F442 HydrophobicContact CD1-CE2 4.19Å; L432-F442 HydrophobicContact CD1-CG 4.36Å; R436-F442 HydrophobicContact CG-CB 3.75Å; F442-F445 HydrophobicContact CB-CB 4.16Å; F442-F445 HydrophobicContact CB-CD2 4.4Å; F442-F445 HydrophobicContact CD1-CD2 4.27Å; F442-F445 HydrophobicContact CD1-CG 4.26Å; F442-F445 WeakPolarHBondContact O-CB 3.37Å; F442-F445 PolarHBondContact O-N 3.44Å; F442-L481 HydrophobicContact CB-CD2 4.32Å; F442-L481 HydrophobicContact CD1-CD2 4.33Å; F442-L481 HydrophobicContact CG-CD2 4.41Å
443	V	95.1	Very high	97.7	Very high	55 Å²	55	61.7 Å²	61.7	33%	0.333	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	137.5	176.8	-172.6	0	0	0	0	110.1	K439 A441 F445	K439-V443 HydrophobicContact CB-CG2 4.14Å; A441-V443 PolarHBondContact O-N 3.25Å; V443-F445 WeakPolarHBondContact O-CD2 3.39Å; V443-F445 PolarHBondContact O-N 3.08Å
444	D	94.6	Very high	97.7	Very high	109 Å²	109	60.6 Å²	60.6	58%	0.583	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	7.4	-171.8	-40.1	-41	0	0	0	115.7	R483	D444-R483 IonicContact OD2-CZ 3.06Å; D444-R483 IonicContact OD2-NH1 2.78Å; D444-R483 PolarHBondContact OD2-NH1 3.23Å; D444-R483 IonicContact OD2-NH2 2.86Å
445	F	98.3	Very high	97.7	Very high	10 Å²	10	58.6 Å²	58.6	4%	0.044	29%	0.29	C	S	.	.			trans	-87.2	130.6	170.6	-78	-97.3	0	0	0	111.2	V396 W398 R436 F442 V443 L481 W482 R483	V396-F445 HydrophobicContact CB-CE1 4.28Å; V396-F445 HydrophobicContact CB-CZ 4.36Å; V396-F445 HydrophobicContact CG1-CE1 3.89Å; V396-F445 HydrophobicContact CG1-CZ 3.88Å; W398-F445 HydrophobicContact CB-CD1 4.4Å; W398-F445 HydrophobicContact CB-CE1 3.91Å; W398-F445 HydrophobicContact CE3-CE1 4.33Å; W398-F445 AromaticContact CE3-CZ 3.9Å; W398-F445 HydrophobicContact CE3-CZ 3.9Å; R436-F445 PolarHBondContact NE-O 3.31Å; R436-F445 PolarHBondContact NH2-O 3.44Å; F442-F445 HydrophobicContact CB-CB 4.16Å; F442-F445 HydrophobicContact CB-CD2 4.4Å; F442-F445 HydrophobicContact CD1-CD2 4.27Å; F442-F445 HydrophobicContact CD1-CG 4.26Å; F442-F445 WeakPolarHBondContact O-CB 3.37Å; F442-F445 PolarHBondContact O-N 3.44Å; V443-F445 WeakPolarHBondContact O-CD2 3.39Å; V443-F445 PolarHBondContact O-N 3.08Å; F445-L481 HydrophobicContact CB-CB 4.2Å; F445-L481 HydrophobicContact CB-CD2 4.14Å; F445-L481 HydrophobicContact CD1-CB 4.08Å; F445-W482 CarbonylContact C-O 3.59Å; F445-W482 WeakPolarHBondContact CA-O 3.36Å; F445-R483 HydrophobicContact CD1-CB 3.97Å; F445-R483 HydrophobicContact CE1-CB 3.93Å; F445-R483 HydrophobicContact CE2-CB 4.5Å; F445-R483 HydrophobicContact CG-CB 4.27Å; F445-R483 HydrophobicContact CZ-CB 4.21Å
446	I	98.4	Very high	97.8	Very high	86 Å²	86	59.2 Å²	59.2	44%	0.441	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148	174.4	-47.6	177.3	0	0	0	108.2	L481 W482	I446-L481 CarbonylContact O-C 3.48Å; I446-L481 VanDerWaalsContact O-CA 3.25Å; I446-L481 WeakPolarHBondContact O-CA 3.41Å; I446-L481 WeakPolarHBondContact O-CB 3.43Å; I446-W482 HydrophobicContact CB-CD2 4.07Å; I446-W482 HydrophobicContact CB-CE3 4.41Å; I446-W482 HydrophobicContact CB-CH2 4.14Å; I446-W482 HydrophobicContact CB-CZ2 3.76Å; I446-W482 HydrophobicContact CB-CZ3 4.45Å; I446-W482 HydrophobicContact CG2-CH2 3.58Å; I446-W482 HydrophobicContact CG2-CZ2 3.39Å; I446-W482 HydrophobicContact CG2-CZ3 4.23Å; I446-W482 PolarHBondContact N-O 3.27Å; I446-W482 VanDerWaalsContact O-CE3 3.31Å; I446-W482 PolarHBondContact O-N 2.88Å
447	E	98.7	Very high	97.8	Very high	20 Å²	20	58.7 Å²	58.7	9%	0.093	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.4	171.7	-174.2	169.7	-155	0	0	107.1	R436 R479 L481 Y492	R436-E447 VanDerWaalsContact NH1-CB 3.26Å; R436-E447 IonicContact NH1-OE2 3.78Å; R436-E447 PolarHBondContact NH1-OE2 3.29Å; R436-E447 VanDerWaalsContact NH1-OE2 3.13Å; E447-R479 WeakPolarHBondContact OE1-CD 3.35Å; E447-R479 IonicContact OE1-CZ 3.01Å; E447-R479 IonicContact OE1-NE 3.34Å; E447-R479 PolarHBondContact OE1-NE 3.36Å; E447-R479 IonicContact OE1-NH2 3.06Å; E447-R479 IonicContact OE2-CZ 3.78Å; E447-R479 IonicContact OE2-NE 2.82Å; E447-R479 PolarHBondContact OE2-NE 2.91Å; E447-R479 IonicContact OE2-NH2 2.76Å; E447-R479 PolarHBondContact OE2-NH2 3.07Å; E447-L481 HydrophobicContact CB-CD2 4.18Å; E447-L481 HydrophobicContact CB-CG 4.08Å; E447-L481 HydrophobicContact CG-CG 4.32Å; E447-Y492 HydrophobicContact CG-CE1 3.73Å; E447-Y492 PolarHBondContact OE1-OH 2.8Å
448	G	98.1	Very high	97.8	Very high	12 Å²	12	51.8 Å²	51.8	12%	0.124	26%	0.259	C	S	.	.			trans	-77.6	162.5	177	0	0	0	0	0	113.2	I450	G448-I450 PolarHBondContact O-N 3.4Å; G448-I450 VanDerWaalsContact O-N 3.17Å
449	D	97.8	Very high	97.9	Very high	137 Å²	137	49 Å²	49	73%	0.733	24%	0.241	S	C	*	.			trans	-58.5	118.7	170.2	-64.4	-35.9	0	0	0	110.4	N451	D449-N451 VanDerWaalsContact CB-ND2 3.33Å; D449-N451 WeakPolarHBondContact CB-ND2 3.36Å; D449-N451 PolarHBondContact O-N 3.37Å; D449-N451 PolarHBondContact O-ND2 3.33Å
450	I	98.2	Very high	97.8	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	23%	0.228	C	C	.	.			trans	-79.6	106.5	176.9	-67	162.8	0	0	0	108.1	Q427 G448 F452 W476 Y492	Q427-I450 PolarHBondContact NE2-O 2.9Å; G448-I450 PolarHBondContact O-N 3.4Å; G448-I450 VanDerWaalsContact O-N 3.17Å; I450-F452 HydrophobicContact CB-CE1 4.46Å; I450-F452 HydrophobicContact CG1-CE1 4.33Å; I450-F452 HydrophobicContact CG1-CZ 4.33Å; I450-F452 HydrophobicContact CG2-CD1 4.16Å; I450-F452 HydrophobicContact CG2-CD2 4.33Å; I450-F452 HydrophobicContact CG2-CE1 4.03Å; I450-F452 HydrophobicContact CG2-CE2 4.21Å; I450-F452 HydrophobicContact CG2-CG 4.32Å; I450-F452 HydrophobicContact CG2-CZ 4.05Å; I450-W476 HydrophobicContact CG2-CD2 4.35Å; I450-W476 HydrophobicContact CG2-CG 4.37Å; I450-W476 HydrophobicContact CG2-CZ2 4.2Å; I450-Y492 HydrophobicContact CD1-CE1 4.39Å; I450-Y492 HydrophobicContact CG1-CD1 4.18Å; I450-Y492 HydrophobicContact CG1-CE1 3.62Å
451	N	97.5	Very high	97.8	Very high	113 Å²	113	41.5 Å²	41.5	60%	0.604	22%	0.219	S	C	*	.			trans	-113.2	23.4	178.9	-64	-79	0	0	0	111.9	D449	D449-N451 VanDerWaalsContact CB-ND2 3.33Å; D449-N451 WeakPolarHBondContact CB-ND2 3.36Å; D449-N451 PolarHBondContact O-N 3.37Å; D449-N451 PolarHBondContact O-ND2 3.33Å
452	F	98.6	Very high	97.7	Very high	18 Å²	18	42.7 Å²	42.7	8%	0.079	23%	0.226	C	C	.	.	S	Bend	trans	-127.1	150.4	179.2	56.2	-91.2	0	0	0	110.5	I450 T455 W476 Y492 V506	I450-F452 HydrophobicContact CB-CE1 4.46Å; I450-F452 HydrophobicContact CG1-CE1 4.33Å; I450-F452 HydrophobicContact CG1-CZ 4.33Å; I450-F452 HydrophobicContact CG2-CD1 4.16Å; I450-F452 HydrophobicContact CG2-CD2 4.33Å; I450-F452 HydrophobicContact CG2-CE1 4.03Å; I450-F452 HydrophobicContact CG2-CE2 4.21Å; I450-F452 HydrophobicContact CG2-CG 4.32Å; I450-F452 HydrophobicContact CG2-CZ 4.05Å; F452-T455 HydrophobicContact CD2-CG2 4.17Å; F452-T455 HydrophobicContact CE2-CG2 3.86Å; F452-W476 AromaticContact CE2-CD1 3.8Å; F452-W476 PolarHBondContact O-NE1 2.84Å; F452-Y492 HydrophobicContact CE1-CD1 4Å; F452-Y492 HydrophobicContact CE1-CD2 4.14Å; F452-Y492 HydrophobicContact CE1-CE1 4.18Å; F452-Y492 HydrophobicContact CE1-CE2 4.29Å; F452-Y492 AromaticContact CE1-CG 3.99Å; F452-Y492 HydrophobicContact CE1-CG 3.99Å; F452-Y492 HydrophobicContact CZ-CD2 4.48Å; F452-Y492 HydrophobicContact CZ-CE1 4.32Å; F452-Y492 HydrophobicContact CZ-CE2 4.2Å; F452-V506 HydrophobicContact CE2-CG2 4.21Å; F452-V506 HydrophobicContact CZ-CG1 4.12Å; F452-V506 HydrophobicContact CZ-CG2 4.47Å
453	V	98.5	Very high	97.7	Very high	39 Å²	39	45.8 Å²	45.8	24%	0.236	24%	0.243	C	C	.	.			trans	-65.6	159.6	-179.6	-58.2	0	0	0	0	111.9	I418 L423 T455 W476 M496	I418-V453 HydrophobicContact CG2-CB 4.17Å; I418-V453 HydrophobicContact CG2-CG1 3.94Å; L423-V453 HydrophobicContact CD1-CG1 4.39Å; L423-V453 HydrophobicContact CD2-CG1 4.36Å; V453-T455 PolarHBondContact O-N 2.91Å; V453-W476 PolarHBondContact O-NE1 3.49Å; V453-M496 HydrophobicContact CG2-SD 4.06Å
454	P	98.7	Very high	97.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.			trans	-48.8	138.4	177.4	-33.9	40.3	0	0	0	114.5	I418 L426 Y458 W465 P474 W476	I418-P454 HydrophobicContact CD1-CG 3.76Å; I418-P454 HydrophobicContact CG1-CG 4.2Å; L426-P454 HydrophobicContact CD2-CG 4.4Å; P454-Y458 WeakPolarHBondContact O-CE2 3.37Å; P454-Y458 PolarHBondContact O-OH 3.31Å; P454-W465 HydrophobicContact CB-CH2 4.1Å; P454-W465 HydrophobicContact CB-CZ3 4.37Å; P454-W465 WeakPolarHBondContact O-CH2 3.24Å; P454-P474 HydrophobicContact CB-CB 3.79Å; P454-P474 HydrophobicContact CG-CB 4.11Å; P454-W476 HydrophobicContact CG-CD2 4.08Å; P454-W476 HydrophobicContact CG-CE3 4.37Å; P454-W476 HydrophobicContact CG-CH2 4.2Å; P454-W476 HydrophobicContact CG-CZ2 3.88Å; P454-W476 HydrophobicContact CG-CZ3 4.42Å
455	T	98.8	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.			trans	-89.2	-13.7	-173.6	54.7	0	0	0	0	113.4	F452 V453 Y458 A475 D478 H503 K504 V506	F452-T455 HydrophobicContact CD2-CG2 4.17Å; F452-T455 HydrophobicContact CE2-CG2 3.86Å; V453-T455 PolarHBondContact O-N 2.91Å; T455-Y458 WeakPolarHBondContact O-CE2 3.48Å; T455-A475 PolarHBondContact N-O 2.83Å; T455-D478 VanDerWaalsContact CB-OD2 3.3Å; T455-D478 WeakPolarHBondContact CB-OD2 3.4Å; T455-D478 HydrophobicContact CG2-CB 4.49Å; T455-D478 PolarHBondContact OG1-OD2 3.44Å; T455-H503 CarbonylContact O-C 3.5Å; T455-H503 VanDerWaalsContact O-CA 3.28Å; T455-H503 WeakPolarHBondContact O-CA 3.47Å; T455-K504 PolarHBondContact O-N 3.31Å; T455-V506 HydrophobicContact CG2-CG2 3.53Å
456	Y	98.6	Very high	97.8	Very high	23 Å²	23	47.7 Å²	47.7	9%	0.09	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-128.6	149.8	177.6	175.4	-100.2	0	0	0	109.4	R405 R472 P474 A475 H503	R405-Y456 VanDerWaalsContact NH1-CE1 3.31Å; Y456-R472 HydrophobicContact CE1-CB 4.27Å; Y456-P474 CarbonylContact O-C 3.56Å; Y456-P474 WeakPolarHBondContact O-CA 3.43Å; Y456-A475 HydrophobicContact CD1-CB 4.39Å; Y456-A475 PolarHBondContact N-O 2.94Å; Y456-A475 VanDerWaalsContact N-O 3.14Å; Y456-A475 PolarHBondContact O-N 2.97Å; Y456-H503 AromaticContact CD2-CD2 3.62Å; Y456-H503 AromaticContact CD2-CE1 3.51Å; Y456-H503 AromaticContact CD2-NE2 3.15Å; Y456-H503 WeakPolarHBondContact CD2-NE2 3.45Å; Y456-H503 AromaticContact CE2-NE2 3.53Å
457	K	98	Very high	97.6	Very high	42 Å²	42	47.9 Å²	47.9	18%	0.183	25%	0.245	C	C	.	.			cis	-114	133.7	-9.9	-175.1	-176.9	161.1	76.6	0	109.4	D466 R472 D502	K457-D466 HydrophobicContact CB-CB 4.09Å; K457-D466 HydrophobicContact CD-CB 3.88Å; K457-D466 HydrophobicContact CG-CB 4.02Å; K457-D466 PolarHBondContact O-N 2.89Å; K457-R472 HydrophobicContact CB-CB 4.11Å; K457-R472 HydrophobicContact CD-CB 3.96Å; K457-R472 HydrophobicContact CD-CG 3.77Å; K457-D502 HydrophobicContact CG-CB 4.1Å; K457-D502 IonicContact NZ-OD2 3.93Å; K457-D502 PolarHBondContact NZ-OD2 3.17Å
458	Y	98.4	Very high	97.4	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.016	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-106	155.8	178.3	-65.6	-91.8	0	0	0	112.4	P454 T455 T460 R464 W465 M496 D502 K504	P454-Y458 WeakPolarHBondContact O-CE2 3.37Å; P454-Y458 PolarHBondContact O-OH 3.31Å; T455-Y458 WeakPolarHBondContact O-CE2 3.48Å; Y458-T460 PolarHBondContact O-N 3.28Å; Y458-R464 CarbonylContact C-O 3.59Å; Y458-R464 WeakPolarHBondContact CA-O 3.06Å; Y458-R464 WeakPolarHBondContact CD1-O 3.44Å; Y458-W465 HydrophobicContact CD1-CE3 4.27Å; Y458-W465 HydrophobicContact CD1-CZ3 4.39Å; Y458-W465 HydrophobicContact CD2-CZ3 4.36Å; Y458-W465 HydrophobicContact CE1-CD2 4.4Å; Y458-W465 AromaticContact CE1-CE3 3.95Å; Y458-W465 HydrophobicContact CE1-CE3 3.95Å; Y458-W465 AromaticContact CE1-CH2 3.98Å; Y458-W465 HydrophobicContact CE1-CH2 3.98Å; Y458-W465 HydrophobicContact CE1-CZ2 4.39Å; Y458-W465 AromaticContact CE1-CZ3 3.73Å; Y458-W465 HydrophobicContact CE1-CZ3 3.73Å; Y458-W465 HydrophobicContact CE2-CE3 4.36Å; Y458-W465 HydrophobicContact CE2-CH2 4.21Å; Y458-W465 AromaticContact CE2-CZ3 3.66Å; Y458-W465 HydrophobicContact CE2-CZ3 3.66Å; Y458-W465 AromaticContact CZ-CE3 4Å; Y458-W465 AromaticContact CZ-CH2 3.51Å; Y458-W465 AromaticContact CZ-CZ3 3.32Å; Y458-W465 WeakPolarHBondContact OH-CH2 3.5Å; Y458-W465 WeakPolarHBondContact OH-CZ3 3.24Å; Y458-M496 HydrophobicContact CE1-CE 3.79Å; Y458-D502 PolarHBondContact N-O 2.81Å; Y458-D502 WeakPolarHBondContact O-CB 3.21Å; Y458-K504 HydrophobicContact CD2-CD 4.34Å; Y458-K504 HydrophobicContact CD2-CG 3.88Å; Y458-K504 HydrophobicContact CE2-CD 4.34Å; Y458-K504 HydrophobicContact CE2-CG 3.52Å
459	D	98.1	Very high	96.8	Very high	20 Å²	20	53.2 Å²	53.2	11%	0.107	30%	0.297	C	S	.	.			trans	-65.2	125	158	-74.2	-9.9	0	0	0	108.1	T462 R464 S467	D459-T462 HydrophobicContact CB-CG2 4.47Å; D459-T462 WeakPolarHBondContact CB-OG1 3.46Å; D459-T462 PolarHBondContact O-N 2.82Å; D459-T462 VanDerWaalsContact O-N 3.12Å; D459-T462 PolarHBondContact O-OG1 3.02Å; D459-R464 HydrophobicContact CB-CB 4.4Å; D459-R464 PolarHBondContact N-O 2.88Å; D459-R464 IonicContact OD2-CZ 2.78Å; D459-R464 IonicContact OD2-NE 3.99Å; D459-R464 PolarHBondContact OD2-NE 3.46Å; D459-R464 IonicContact OD2-NH2 2.84Å; D459-R464 PolarHBondContact OD2-NH2 3.08Å; D459-S467 VanDerWaalsContact CG-OG 3.31Å; D459-S467 PolarHBondContact OD1-N 2.88Å; D459-S467 PolarHBondContact OD1-OG 2.68Å; D459-S467 PolarHBondContact OD2-OG 3.26Å; D459-S467 VanDerWaalsContact OD2-OG 3.05Å
460	T	96.5	Very high	96.3	Very high	69 Å²	69	54 Å²	54	42%	0.423	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	145.7	-179.6	52.4	0	0	0	0	111.8	Y458 T462 D502	Y458-T460 PolarHBondContact O-N 3.28Å; T460-T462 PolarHBondContact O-N 3.03Å; T460-D502 HydrophobicContact CG2-CB 4.07Å
461	K	96.8	Very high	95.9	Very high	105 Å²	105	56.4 Å²	56.4	46%	0.457	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	9.4	-173.5	-45	-64.6	168	164.3	0	115	D236 K499	D236-K461 IonicContact OD2-NZ 3.23Å; D236-K461 PolarHBondContact OD2-NZ 2.93Å; K461-K499 WeakPolarHBondContact CA-O 3.36Å; K461-K499 PolarHBondContact N-O 3.18Å
462	T	96.7	Very high	95.7	Very high	27 Å²	27	55.1 Å²	55.1	17%	0.166	30%	0.297	C	S	.	.	S	Bend	trans	-136.8	-177.4	-179.4	84.7	0	0	0	0	113.6	D459 T460 R464 K504	D459-T462 HydrophobicContact CB-CG2 4.47Å; D459-T462 WeakPolarHBondContact CB-OG1 3.46Å; D459-T462 PolarHBondContact O-N 2.82Å; D459-T462 VanDerWaalsContact O-N 3.12Å; D459-T462 PolarHBondContact O-OG1 3.02Å; T460-T462 PolarHBondContact O-N 3.03Å; T462-R464 PolarHBondContact OG1-N 3.28Å; T462-K504 PolarHBondContact O-NZ 3.42Å
463	D	97.1	Very high	95.7	Very high	66 Å²	66	56 Å²	56	35%	0.353	30%	0.303	S	S	.	.	S	Bend	trans	-112.7	14.2	169.1	-49.6	-49.5	0	0	0	112.1	M496 K499 K504	D463-M496 HydrophobicContact CB-CE 4.17Å; D463-M496 VanDerWaalsContact OD1-O 3.09Å; D463-K499 WeakPolarHBondContact OD1-CD 3.17Å; D463-K499 VanDerWaalsContact OD1-CE 3.31Å; D463-K499 WeakPolarHBondContact OD1-CE 3.32Å; D463-K499 IonicContact OD1-NZ 3.3Å; D463-K499 VanDerWaalsContact OD2-CE 3.23Å; D463-K499 WeakPolarHBondContact OD2-CE 3.38Å; D463-K499 IonicContact OD2-NZ 2.84Å; D463-K499 PolarHBondContact OD2-NZ 2.85Å; D463-K504 IonicContact OD1-NZ 2.85Å; D463-K504 PolarHBondContact OD1-NZ 3.21Å
464	R	97.3	Very high	95.7	Very high	153 Å²	153	54.2 Å²	54.2	58%	0.577	29%	0.292	S	S	*	.	S	Bend	trans	-79.9	141.3	173.4	-61.5	-169.2	-54.2	-95.7	-6.6	109.8	Y458 D459 T462	Y458-R464 CarbonylContact C-O 3.59Å; Y458-R464 WeakPolarHBondContact CA-O 3.06Å; Y458-R464 WeakPolarHBondContact CD1-O 3.44Å; D459-R464 HydrophobicContact CB-CB 4.4Å; D459-R464 PolarHBondContact N-O 2.88Å; D459-R464 IonicContact OD2-CZ 2.78Å; D459-R464 IonicContact OD2-NE 3.99Å; D459-R464 PolarHBondContact OD2-NE 3.46Å; D459-R464 IonicContact OD2-NH2 2.84Å; D459-R464 PolarHBondContact OD2-NH2 3.08Å; T462-R464 PolarHBondContact OG1-N 3.28Å
465	W	97.6	Very high	95.6	Very high	56 Å²	56	54.3 Å²	54.3	21%	0.212	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-62.4	151.3	168.4	-59.1	115	0	0	0	111.6	I418 P454 Y458 S467 P474	I418-W465 HydrophobicContact CD1-CH2 4.37Å; I418-W465 HydrophobicContact CD1-CZ2 4.08Å; I418-W465 HydrophobicContact CG2-CZ2 4.03Å; P454-W465 HydrophobicContact CB-CH2 4.1Å; P454-W465 HydrophobicContact CB-CZ3 4.37Å; P454-W465 WeakPolarHBondContact O-CH2 3.24Å; Y458-W465 HydrophobicContact CD1-CE3 4.27Å; Y458-W465 HydrophobicContact CD1-CZ3 4.39Å; Y458-W465 HydrophobicContact CD2-CZ3 4.36Å; Y458-W465 HydrophobicContact CE1-CD2 4.4Å; Y458-W465 AromaticContact CE1-CE3 3.95Å; Y458-W465 HydrophobicContact CE1-CE3 3.95Å; Y458-W465 AromaticContact CE1-CH2 3.98Å; Y458-W465 HydrophobicContact CE1-CH2 3.98Å; Y458-W465 HydrophobicContact CE1-CZ2 4.39Å; Y458-W465 AromaticContact CE1-CZ3 3.73Å; Y458-W465 HydrophobicContact CE1-CZ3 3.73Å; Y458-W465 HydrophobicContact CE2-CE3 4.36Å; Y458-W465 HydrophobicContact CE2-CH2 4.21Å; Y458-W465 AromaticContact CE2-CZ3 3.66Å; Y458-W465 HydrophobicContact CE2-CZ3 3.66Å; Y458-W465 AromaticContact CZ-CE3 4Å; Y458-W465 AromaticContact CZ-CH2 3.51Å; Y458-W465 AromaticContact CZ-CZ3 3.32Å; Y458-W465 WeakPolarHBondContact OH-CH2 3.5Å; Y458-W465 WeakPolarHBondContact OH-CZ3 3.24Å; W465-S467 PolarHBondContact O-N 2.81Å; W465-P474 HydrophobicContact CD2-CG 3.89Å; W465-P474 HydrophobicContact CE3-CB 3.98Å; W465-P474 HydrophobicContact CE3-CG 3.7Å; W465-P474 HydrophobicContact CG-CG 4.46Å; W465-P474 HydrophobicContact CH2-CB 4.08Å; W465-P474 HydrophobicContact CH2-CG 4.41Å; W465-P474 HydrophobicContact CZ3-CB 3.73Å; W465-P474 HydrophobicContact CZ3-CG 3.97Å
466	D	96.1	Very high	95.6	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.032	29%	0.292	C	S	.	.			trans	-40.8	110.1	178.8	179.6	25.7	0	0	0	113	K457 S468 R472	K457-D466 HydrophobicContact CB-CB 4.09Å; K457-D466 HydrophobicContact CD-CB 3.88Å; K457-D466 HydrophobicContact CG-CB 4.02Å; K457-D466 PolarHBondContact O-N 2.89Å; D466-S468 VanDerWaalsContact CG-OG 3.3Å; D466-S468 WeakPolarHBondContact OD1-CB 3.36Å; D466-S468 PolarHBondContact OD1-N 3.08Å; D466-S468 PolarHBondContact OD1-OG 3.21Å; D466-S468 PolarHBondContact OD2-OG 3.33Å; D466-R472 HydrophobicContact CB-CB 4.44Å; D466-R472 WeakPolarHBondContact OD2-CB 3.5Å; D466-R472 VanDerWaalsContact OD2-CG 3.32Å; D466-R472 WeakPolarHBondContact OD2-CG 3.22Å; D466-R472 PolarHBondContact OD2-N 3.34Å
467	S	93.4	Very high	95.6	Very high	90 Å²	90	53.2 Å²	53.2	63%	0.629	29%	0.288	S	S	*	.			trans	-94	2	175.7	66.8	0	0	0	0	113.3	D459 W465	D459-S467 VanDerWaalsContact CG-OG 3.31Å; D459-S467 PolarHBondContact OD1-N 2.88Å; D459-S467 PolarHBondContact OD1-OG 2.68Å; D459-S467 PolarHBondContact OD2-OG 3.26Å; D459-S467 VanDerWaalsContact OD2-OG 3.05Å; W465-S467 PolarHBondContact O-N 2.81Å
468	S	93.8	Very high	95.7	Very high	50 Å²	50	51.2 Å²	51.2	35%	0.35	28%	0.279	S	S	.	.	S	Bend	trans	-66.4	161.1	177	77.6	0	0	0	0	111.8	D466 K470 C471	D466-S468 VanDerWaalsContact CG-OG 3.3Å; D466-S468 WeakPolarHBondContact OD1-CB 3.36Å; D466-S468 PolarHBondContact OD1-N 3.08Å; D466-S468 PolarHBondContact OD1-OG 3.21Å; D466-S468 PolarHBondContact OD2-OG 3.33Å; S468-K470 PolarHBondContact O-N 3.14Å; S468-K470 PolarHBondContact OG-N 3.21Å; S468-C471 PolarHBondContact O-N 2.85Å
469	G	86.6	Confident	95.7	Very high	93 Å²	93	51 Å²	51	96%	0.959	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-5.2	174.6	0	0	0	0	0	115.2
470	K	87.9	Confident	95.8	Very high	155 Å²	155	50 Å²	50	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-13.9	171	-65.2	-179.4	-178	173.6	0	113.3	S468 R472	S468-K470 PolarHBondContact O-N 3.14Å; S468-K470 PolarHBondContact OG-N 3.21Å; K470-R472 VanDerWaalsContact C-N 3.29Å; K470-R472 HydrophobicContact CB-CG 4.49Å; K470-R472 PolarHBondContact O-N 3.41Å; K470-R472 VanDerWaalsContact O-N 3.07Å
471	C	89.8	Confident	95.9	Very high	56 Å²	56	46.8 Å²	46.8	38%	0.378	25%	0.253	S	S	.	.			trans	32.2	58	175.9	-163.4	0	0	0	0	113.2	S468 I473	S468-C471 PolarHBondContact O-N 2.85Å; C471-I473 PolarHBondContact O-N 3.06Å
472	R	93.3	Very high	96	Very high	86 Å²	86	42.6 Å²	42.6	33%	0.325	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-61.3	130.9	-171.4	-66.3	-54.4	-159.9	-179.4	6.8	110.8	Y456 K457 D466 K470	Y456-R472 HydrophobicContact CE1-CB 4.27Å; K457-R472 HydrophobicContact CB-CB 4.11Å; K457-R472 HydrophobicContact CD-CB 3.96Å; K457-R472 HydrophobicContact CD-CG 3.77Å; D466-R472 HydrophobicContact CB-CB 4.44Å; D466-R472 WeakPolarHBondContact OD2-CB 3.5Å; D466-R472 VanDerWaalsContact OD2-CG 3.32Å; D466-R472 WeakPolarHBondContact OD2-CG 3.22Å; D466-R472 PolarHBondContact OD2-N 3.34Å; K470-R472 VanDerWaalsContact C-N 3.29Å; K470-R472 HydrophobicContact CB-CG 4.49Å; K470-R472 PolarHBondContact O-N 3.41Å; K470-R472 VanDerWaalsContact O-N 3.07Å
473	I	97	Very high	96	Very high	37 Å²	37	45.4 Å²	45.4	19%	0.19	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-59.1	131.2	172.9	-60.7	154.4	0	0	0	109	L406 T411 V414 C471	L406-I473 HydrophobicContact CD1-CG2 4.48Å; T411-I473 VanDerWaalsContact OG1-CG1 3.24Å; T411-I473 WeakPolarHBondContact OG1-CG1 3.4Å; V414-I473 HydrophobicContact CB-CG2 4.2Å; V414-I473 HydrophobicContact CG1-CG2 4.05Å; V414-I473 HydrophobicContact CG2-CG2 3.82Å; C471-I473 PolarHBondContact O-N 3.06Å
474	P	98.3	Very high	96	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-57.4	140.8	174.6	-27.1	35	0	0	0	113.4	L406 V414 K415 I418 P454 Y456 W465	L406-P474 WeakPolarHBondContact CD1-O 3.47Å; V414-P474 HydrophobicContact CG1-CB 4.07Å; V414-P474 HydrophobicContact CG1-CG 4.06Å; K415-P474 HydrophobicContact CG-CG 4.33Å; I418-P474 HydrophobicContact CD1-CB 3.72Å; I418-P474 HydrophobicContact CD1-CG 3.99Å; P454-P474 HydrophobicContact CB-CB 3.79Å; P454-P474 HydrophobicContact CG-CB 4.11Å; Y456-P474 CarbonylContact O-C 3.56Å; Y456-P474 WeakPolarHBondContact O-CA 3.43Å; W465-P474 HydrophobicContact CD2-CG 3.89Å; W465-P474 HydrophobicContact CE3-CB 3.98Å; W465-P474 HydrophobicContact CE3-CG 3.7Å; W465-P474 HydrophobicContact CG-CG 4.46Å; W465-P474 HydrophobicContact CH2-CB 4.08Å; W465-P474 HydrophobicContact CH2-CG 4.41Å; W465-P474 HydrophobicContact CZ3-CB 3.73Å; W465-P474 HydrophobicContact CZ3-CG 3.97Å
475	A	98.4	Very high	95.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-149	154	-179.3	0	0	0	0	0	113.6	R405 T455 Y456 C477	R405-A475 HydrophobicContact CB-CB 4.43Å; T455-A475 PolarHBondContact N-O 2.83Å; Y456-A475 HydrophobicContact CD1-CB 4.39Å; Y456-A475 PolarHBondContact N-O 2.94Å; Y456-A475 VanDerWaalsContact N-O 3.14Å; Y456-A475 PolarHBondContact O-N 2.97Å; A475-C477 VanDerWaalsContact C-N 3.3Å; A475-C477 PolarHBondContact O-N 2.63Å
476	W	98.8	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.253	C	S	.	.			trans	-87.1	70.7	168.3	-68	-78.3	0	0	0	110.2	L406 L423 L426 Q427 I450 F452 V453 P454 R479	L406-W476 HydrophobicContact CD2-CE3 4.14Å; L406-W476 HydrophobicContact CD2-CZ3 4.07Å; L423-W476 HydrophobicContact CB-CH2 4.43Å; L423-W476 HydrophobicContact CB-CZ2 4.37Å; L423-W476 HydrophobicContact CD2-CH2 4.46Å; L423-W476 HydrophobicContact CD2-CZ2 4.21Å; L426-W476 HydrophobicContact CB-CH2 4.02Å; L426-W476 HydrophobicContact CB-CZ3 4.22Å; L426-W476 HydrophobicContact CD2-CH2 3.75Å; L426-W476 HydrophobicContact CD2-CZ3 4Å; L426-W476 HydrophobicContact CG-CH2 4Å; L426-W476 HydrophobicContact CG-CZ3 3.91Å; Q427-W476 HydrophobicContact CG-CE3 4.24Å; Q427-W476 HydrophobicContact CG-CH2 3.74Å; Q427-W476 HydrophobicContact CG-CZ2 4.36Å; Q427-W476 HydrophobicContact CG-CZ3 3.67Å; I450-W476 HydrophobicContact CG2-CD2 4.35Å; I450-W476 HydrophobicContact CG2-CG 4.37Å; I450-W476 HydrophobicContact CG2-CZ2 4.2Å; F452-W476 AromaticContact CE2-CD1 3.8Å; F452-W476 PolarHBondContact O-NE1 2.84Å; V453-W476 PolarHBondContact O-NE1 3.49Å; P454-W476 HydrophobicContact CG-CD2 4.08Å; P454-W476 HydrophobicContact CG-CE3 4.37Å; P454-W476 HydrophobicContact CG-CH2 4.2Å; P454-W476 HydrophobicContact CG-CZ2 3.88Å; P454-W476 HydrophobicContact CG-CZ3 4.42Å; W476-R479 VanDerWaalsContact O-CD 3.32Å; W476-R479 WeakPolarHBondContact O-CD 3.14Å; W476-R479 PolarHBondContact O-NH1 2.82Å
477	C	98.8	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.258	C	S	.	.			trans	-68.4	-40.4	176.5	-66.7	0	0	0	0	111.9	D401 L402 N403 A475	D401-C477 WeakPolarHBondContact OD1-CB 3.28Å; L402-C477 PolarHBondContact N-O 3.02Å; N403-C477 PolarHBondContact N-O 2.91Å; A475-C477 VanDerWaalsContact C-N 3.3Å; A475-C477 PolarHBondContact O-N 2.63Å
478	D	98.9	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.7	-172.4	-50.8	-94.2	0	0	0	110.5	T227 G400 T455 H503 V506	T227-D478 HydrophobicContact CG2-CB 4.19Å; G400-D478 WeakPolarHBondContact O-CA 3.4Å; T455-D478 VanDerWaalsContact CB-OD2 3.3Å; T455-D478 WeakPolarHBondContact CB-OD2 3.4Å; T455-D478 HydrophobicContact CG2-CB 4.49Å; T455-D478 PolarHBondContact OG1-OD2 3.44Å; D478-H503 IonicContact OD1-ND1 2.67Å; D478-H503 PolarHBondContact OD1-ND1 2.76Å; D478-H503 IonicContact OD2-CE1 3.93Å; D478-H503 IonicContact OD2-CG 3.61Å; D478-H503 IonicContact OD2-ND1 3.25Å; D478-H503 PolarHBondContact OD2-ND1 3.04Å; D478-V506 HydrophobicContact CB-CG2 3.75Å
479	R	98.9	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.2	-168.6	-52.1	-68.7	-88.1	-93.7	0.4	112.7	L399 G400 L402 D430 L432 N433 E447 W476 L481 Y492	L399-R479 VanDerWaalsContact CA-O 3.27Å; L399-R479 WeakPolarHBondContact CA-O 3.32Å; G400-R479 PolarHBondContact N-O 2.99Å; G400-R479 VanDerWaalsContact N-O 3.12Å; G400-R479 PolarHBondContact O-N 3.17Å; L402-R479 HydrophobicContact CB-CG 4.46Å; L402-R479 HydrophobicContact CD1-CB 3.66Å; L402-R479 HydrophobicContact CD1-CG 4.12Å; L402-R479 HydrophobicContact CG-CB 3.93Å; L402-R479 HydrophobicContact CG-CG 4.24Å; D430-R479 VanDerWaalsContact CG-NH1 3.29Å; D430-R479 IonicContact OD1-CZ 3.05Å; D430-R479 IonicContact OD1-NH1 2.86Å; D430-R479 PolarHBondContact OD1-NH1 2.82Å; D430-R479 IonicContact OD2-CZ 3.9Å; D430-R479 IonicContact OD2-NH1 2.59Å; D430-R479 PolarHBondContact OD2-NH1 3.07Å; D430-R479 VanDerWaalsContact OD2-NH1 3.08Å; D430-R479 IonicContact OD2-NH2 3.45Å; D430-R479 PolarHBondContact OD2-NH2 2.91Å; L432-R479 HydrophobicContact CD2-CB 4.3Å; L432-R479 HydrophobicContact CD2-CG 3.94Å; N433-R479 PolarHBondContact OD1-NH2 3.38Å; E447-R479 WeakPolarHBondContact OE1-CD 3.35Å; E447-R479 IonicContact OE1-CZ 3.01Å; E447-R479 IonicContact OE1-NE 3.34Å; E447-R479 PolarHBondContact OE1-NE 3.36Å; E447-R479 IonicContact OE1-NH2 3.06Å; E447-R479 IonicContact OE2-CZ 3.78Å; E447-R479 IonicContact OE2-NE 2.82Å; E447-R479 PolarHBondContact OE2-NE 2.91Å; E447-R479 IonicContact OE2-NH2 2.76Å; E447-R479 PolarHBondContact OE2-NH2 3.07Å; W476-R479 VanDerWaalsContact O-CD 3.32Å; W476-R479 WeakPolarHBondContact O-CD 3.14Å; W476-R479 PolarHBondContact O-NH1 2.82Å; R479-L481 HydrophobicContact CB-CD1 4.01Å; R479-Y492 WeakPolarHBondContact CA-OH 3.38Å
480	I	98.9	Very high	96.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	114.2	175.7	-54.4	172.9	0	0	0	109.4	I225 T227 I397 L399 Y492 V506 F510	I225-I480 HydrophobicContact CB-CD1 4.45Å; I225-I480 HydrophobicContact CB-CG2 4.29Å; I225-I480 HydrophobicContact CG2-CD1 4.14Å; I225-I480 HydrophobicContact CG2-CG1 4.47Å; I225-I480 HydrophobicContact CG2-CG2 3.73Å; I225-I480 WeakPolarHBondContact O-CD1 3.08Å; T227-I480 HydrophobicContact CG2-CD1 4.46Å; T227-I480 HydrophobicContact CG2-CG1 4.09Å; I397-I480 HydrophobicContact CG2-CG2 4.31Å; L399-I480 HydrophobicContact CB-CG1 4.07Å; L399-I480 HydrophobicContact CB-CG2 4.48Å; I480-Y492 HydrophobicContact CB-CE2 3.87Å; I480-Y492 HydrophobicContact CD1-CE2 4.28Å; I480-Y492 HydrophobicContact CG1-CE2 4.16Å; I480-Y492 PolarHBondContact N-OH 3.25Å; I480-V506 HydrophobicContact CD1-CG1 4Å; I480-V506 HydrophobicContact CG1-CG1 4.36Å; I480-F510 HydrophobicContact CG2-CE2 4.15Å; I480-F510 HydrophobicContact CG2-CZ 4.2Å
481	L	98.9	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160.2	179.1	-57.8	93.6	0	0	0	110.5	W398 L402 L432 F442 F445 I446 E447 R479	W398-L481 PolarHBondContact N-O 3.12Å; W398-L481 PolarHBondContact O-N 2.88Å; L402-L481 HydrophobicContact CD1-CD1 3.52Å; L432-L481 HydrophobicContact CD2-CD1 4.19Å; L432-L481 HydrophobicContact CD2-CD2 4.4Å; F442-L481 HydrophobicContact CB-CD2 4.32Å; F442-L481 HydrophobicContact CD1-CD2 4.33Å; F442-L481 HydrophobicContact CG-CD2 4.41Å; F445-L481 HydrophobicContact CB-CB 4.2Å; F445-L481 HydrophobicContact CB-CD2 4.14Å; F445-L481 HydrophobicContact CD1-CB 4.08Å; I446-L481 CarbonylContact O-C 3.48Å; I446-L481 VanDerWaalsContact O-CA 3.25Å; I446-L481 WeakPolarHBondContact O-CA 3.41Å; I446-L481 WeakPolarHBondContact O-CB 3.43Å; E447-L481 HydrophobicContact CB-CD2 4.18Å; E447-L481 HydrophobicContact CB-CG 4.08Å; E447-L481 HydrophobicContact CG-CG 4.32Å; R479-L481 HydrophobicContact CB-CD1 4.01Å
482	W	98.8	Very high	97.8	Very high	18 Å²	18	39 Å²	39	7%	0.068	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.8	174.4	74.6	96.7	0	0	0	113	V396 I397 F445 I446 V487 Q489 F510	V396-W482 CarbonylContact O-C 3.56Å; V396-W482 VanDerWaalsContact O-CA 3.25Å; V396-W482 WeakPolarHBondContact O-CA 3.2Å; I397-W482 HydrophobicContact CG1-CB 4.37Å; F445-W482 CarbonylContact C-O 3.59Å; F445-W482 WeakPolarHBondContact CA-O 3.36Å; I446-W482 HydrophobicContact CB-CD2 4.07Å; I446-W482 HydrophobicContact CB-CE3 4.41Å; I446-W482 HydrophobicContact CB-CH2 4.14Å; I446-W482 HydrophobicContact CB-CZ2 3.76Å; I446-W482 HydrophobicContact CB-CZ3 4.45Å; I446-W482 HydrophobicContact CG2-CH2 3.58Å; I446-W482 HydrophobicContact CG2-CZ2 3.39Å; I446-W482 HydrophobicContact CG2-CZ3 4.23Å; I446-W482 PolarHBondContact N-O 3.27Å; I446-W482 VanDerWaalsContact O-CE3 3.31Å; I446-W482 PolarHBondContact O-N 2.88Å; W482-V487 HydrophobicContact CD2-CG1 4.29Å; W482-V487 HydrophobicContact CG-CG1 3.88Å; W482-Q489 HydrophobicContact CH2-CB 3.85Å; W482-Q489 HydrophobicContact CH2-CG 4.44Å; W482-Q489 VanDerWaalsContact CH2-OE1 3.3Å; W482-Q489 HydrophobicContact CZ2-CB 4.31Å; W482-Q489 HydrophobicContact CZ3-CB 4.27Å; W482-Q489 HydrophobicContact CZ3-CG 4.42Å; W482-Q489 VanDerWaalsContact CZ3-OE1 3.3Å; W482-F510 AromaticContact CD2-CE1 3.71Å; W482-F510 HydrophobicContact CD2-CE1 3.71Å; W482-F510 HydrophobicContact CD2-CZ 4.28Å; W482-F510 AromaticContact CE3-CE1 3.51Å; W482-F510 HydrophobicContact CE3-CE1 3.51Å; W482-F510 AromaticContact CE3-CZ 3.81Å; W482-F510 HydrophobicContact CE3-CZ 3.81Å; W482-F510 HydrophobicContact CG-CE1 4.2Å; W482-F510 HydrophobicContact CH2-CE1 4.43Å; W482-F510 AromaticContact CZ3-CE1 3.89Å; W482-F510 HydrophobicContact CZ3-CE1 3.89Å; W482-F510 HydrophobicContact CZ3-CZ 4.34Å
483	R	98.1	Very high	98	Very high	86 Å²	86	37 Å²	37	33%	0.325	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.8	170.5	170.8	-179	169.4	131.6	6.1	107.7	V395 V396 D444 F445	V395-R483 WeakPolarHBondContact CA-O 3.05Å; V396-R483 HydrophobicContact CB-CB 4.47Å; V396-R483 PolarHBondContact N-O 3.45Å; V396-R483 PolarHBondContact O-N 3.25Å; D444-R483 IonicContact OD2-CZ 3.06Å; D444-R483 IonicContact OD2-NH1 2.78Å; D444-R483 PolarHBondContact OD2-NH1 3.23Å; D444-R483 IonicContact OD2-NH2 2.86Å; F445-R483 HydrophobicContact CD1-CB 3.97Å; F445-R483 HydrophobicContact CE1-CB 3.93Å; F445-R483 HydrophobicContact CE2-CB 4.5Å; F445-R483 HydrophobicContact CG-CB 4.27Å; F445-R483 HydrophobicContact CZ-CB 4.21Å
484	G	96.4	Very high	98.1	Very high	35 Å²	35	36.2 Å²	36.2	36%	0.361	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	151.9	169.5	179	0	0	0	0	0	112.6	D394	D394-G484 VanDerWaalsContact O-CA 3.25Å; D394-G484 WeakPolarHBondContact O-CA 3.33Å
485	S	92.8	Very high	98.1	Very high	77 Å²	77	36.3 Å²	36.3	54%	0.538	19%	0.187	S	C	.	.	S	Bend	trans	-93.9	158.6	174.4	65.1	0	0	0	0	111.2	V487	S485-V487 PolarHBondContact O-N 3.46Å; S485-V487 VanDerWaalsContact O-N 3.17Å
486	N	96.4	Very high	98.1	Very high	89 Å²	89	39.1 Å²	39.1	48%	0.476	20%	0.201	S	C	.	.	S	Bend	trans	59	23.1	178.6	-46	-70.4	0	0	0	115.1	I512 G513	N486-I512 WeakPolarHBondContact O-CA 3.42Å; N486-G513 PolarHBondContact O-N 3.28Å
487	V	98.3	Very high	98	Very high	22 Å²	22	43.8 Å²	43.8	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.7	174.8	-178.7	0	0	0	0	109.5	V395 W482 S485 F510 I512	V395-V487 HydrophobicContact CG1-CG2 3.93Å; V395-V487 HydrophobicContact CG2-CG2 4.13Å; W482-V487 HydrophobicContact CD2-CG1 4.29Å; W482-V487 HydrophobicContact CG-CG1 3.88Å; S485-V487 PolarHBondContact O-N 3.46Å; S485-V487 VanDerWaalsContact O-N 3.17Å; V487-F510 HydrophobicContact CG1-CD1 3.57Å; V487-F510 HydrophobicContact CG1-CE1 4.05Å; V487-F510 HydrophobicContact CG1-CG 4.35Å; V487-I512 HydrophobicContact CG1-CD1 4.43Å; V487-I512 HydrophobicContact CG1-CG1 4.25Å; V487-I512 HydrophobicContact CG2-CD1 4.43Å; V487-I512 HydrophobicContact CG2-CG1 4.37Å; V487-I512 HydrophobicContact CG2-CG2 4.06Å
488	Q	98.4	Very high	98	Very high	112 Å²	112	43.9 Å²	43.9	52%	0.523	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.8	170.3	-175.4	-175	18.9	0	0	109.2	L490 F510 K511	Q488-L490 HydrophobicContact CG-CD2 4.01Å; Q488-F510 CarbonylContact O-C 3.6Å; Q488-F510 WeakPolarHBondContact O-CA 3.48Å; Q488-K511 HydrophobicContact CB-CB 4.43Å; Q488-K511 PolarHBondContact N-O 3.25Å; Q488-K511 PolarHBondContact O-N 2.91Å
489	Q	98.5	Very high	97.9	Very high	42 Å²	42	47.3 Å²	47.3	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.4	168.4	-163.3	178.8	33.5	0	0	109.6	W482 S508 F510	W482-Q489 HydrophobicContact CH2-CB 3.85Å; W482-Q489 HydrophobicContact CH2-CG 4.44Å; W482-Q489 VanDerWaalsContact CH2-OE1 3.3Å; W482-Q489 HydrophobicContact CZ2-CB 4.31Å; W482-Q489 HydrophobicContact CZ3-CB 4.27Å; W482-Q489 HydrophobicContact CZ3-CG 4.42Å; W482-Q489 VanDerWaalsContact CZ3-OE1 3.3Å; Q489-S508 WeakPolarHBondContact CG-OG 3.22Å; Q489-S508 PolarHBondContact NE2-OG 2.82Å; Q489-F510 HydrophobicContact CB-CD1 3.79Å; Q489-F510 HydrophobicContact CB-CE1 3.73Å; Q489-F510 HydrophobicContact CG-CD1 3.92Å; Q489-F510 HydrophobicContact CG-CE1 3.63Å; Q489-F510 HydrophobicContact CG-CZ 4.25Å
490	L	98.3	Very high	97.8	Very high	75 Å²	75	47.3 Å²	47.3	39%	0.393	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-32.5	-179.3	-59.2	-176.4	0	0	0	112.6	Q488 L509 K511	Q488-L490 HydrophobicContact CG-CD2 4.01Å; L490-L509 HydrophobicContact CB-CD2 4.25Å; L490-L509 HydrophobicContact CB-CG 4.44Å; L490-L509 HydrophobicContact CD1-CD2 3.94Å; L490-L509 HydrophobicContact CD1-CG 4.3Å; L490-L509 PolarHBondContact N-O 2.84Å; L490-K511 HydrophobicContact CD1-CB 4.03Å; L490-K511 HydrophobicContact CD2-CB 4.33Å; L490-K511 HydrophobicContact CG-CB 4.21Å
491	K	98.5	Very high	97.8	Very high	114 Å²	114	47.3 Å²	47.3	50%	0.496	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144.7	-178	-60.3	-67.3	173.9	-176.8	0	109.8	S508 L509	K491-S508 VanDerWaalsContact O-CA 3.24Å; K491-S508 WeakPolarHBondContact O-CA 3.17Å; K491-S508 PolarHBondContact O-OG 3.12Å; K491-L509 HydrophobicContact CB-CB 4.12Å; K491-L509 HydrophobicContact CG-CB 4.4Å; K491-L509 PolarHBondContact N-O 2.87Å; K491-L509 PolarHBondContact O-N 3.29Å
492	Y	98.8	Very high	97.8	Very high	24 Å²	24	47.7 Å²	47.7	9%	0.094	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	120.8	167.6	-168.8	-155.2	0	0	0	107.9	E447 I450 F452 R479 I480 V506	E447-Y492 HydrophobicContact CG-CE1 3.73Å; E447-Y492 PolarHBondContact OE1-OH 2.8Å; I450-Y492 HydrophobicContact CD1-CE1 4.39Å; I450-Y492 HydrophobicContact CG1-CD1 4.18Å; I450-Y492 HydrophobicContact CG1-CE1 3.62Å; F452-Y492 HydrophobicContact CE1-CD1 4Å; F452-Y492 HydrophobicContact CE1-CD2 4.14Å; F452-Y492 HydrophobicContact CE1-CE1 4.18Å; F452-Y492 HydrophobicContact CE1-CE2 4.29Å; F452-Y492 AromaticContact CE1-CG 3.99Å; F452-Y492 HydrophobicContact CE1-CG 3.99Å; F452-Y492 HydrophobicContact CZ-CD2 4.48Å; F452-Y492 HydrophobicContact CZ-CE1 4.32Å; F452-Y492 HydrophobicContact CZ-CE2 4.2Å; R479-Y492 WeakPolarHBondContact CA-OH 3.38Å; I480-Y492 HydrophobicContact CB-CE2 3.87Å; I480-Y492 HydrophobicContact CD1-CE2 4.28Å; I480-Y492 HydrophobicContact CG1-CE2 4.16Å; I480-Y492 PolarHBondContact N-OH 3.25Å; Y492-V506 HydrophobicContact CD2-CG1 4.06Å; Y492-V506 HydrophobicContact CE2-CG1 3.56Å
493	R	98.6	Very high	97.8	Very high	44 Å²	44	47 Å²	47	17%	0.166	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	150	-167	61.9	-168.4	-179.1	-78.3	21	113.3	C245 D246 V506 S507	C245-R493 PolarHBondContact SG-NH2 2.84Å; D246-R493 IonicContact OD1-CZ 3.68Å; D246-R493 IonicContact OD1-NH2 2.7Å; D246-R493 PolarHBondContact OD1-NH2 3.12Å; D246-R493 VanDerWaalsContact OD1-NH2 3.08Å; D246-R493 IonicContact OD2-CZ 3.77Å; D246-R493 IonicContact OD2-NH1 2.74Å; D246-R493 IonicContact OD2-NH2 3.49Å; D246-R493 PolarHBondContact OD2-NH2 2.9Å; R493-V506 CarbonylContact O-C 3.56Å; R493-V506 WeakPolarHBondContact O-CA 3.34Å; R493-S507 PolarHBondContact N-O 3.29Å; R493-S507 PolarHBondContact NH1-OG 2.69Å; R493-S507 PolarHBondContact O-N 2.82Å
494	S	98.6	Very high	97.8	Very high	20 Å²	20	43 Å²	43	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	164.8	163	65.6	0	0	0	0	111.6	P505	S494-P505 CarbonylContact C-O 3.57Å; S494-P505 VanDerWaalsContact CA-O 3.27Å; S494-P505 WeakPolarHBondContact CA-O 3.08Å
495	H	98.5	Very high	97.9	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.019	21%	0.205	C	C	.	.			trans	-124.3	88.9	-175.1	-54.9	-92.5	0	0	0	109.5	W242 C245 E497 M498 P505 S507	W242-H495 AromaticContact CD1-CD2 3.32Å; W242-H495 AromaticContact CD1-CE1 3.96Å; W242-H495 AromaticContact CD1-CG 3.78Å; W242-H495 AromaticContact CD1-NE2 3.47Å; W242-H495 AromaticContact NE1-CD2 3.94Å; C245-H495 PolarHBondContact SG-CE1 2.91Å; H495-E497 VanDerWaalsContact C-N 3.28Å; H495-E497 WeakPolarHBondContact CA-OE2 3.29Å; H495-E497 IonicContact ND1-OE1 3.11Å; H495-E497 PolarHBondContact O-N 3.47Å; H495-M498 HydrophobicContact CB-CG 4.11Å; H495-M498 PolarHBondContact O-N 2.86Å; H495-P505 HydrophobicContact CB-CG 4.16Å; H495-P505 PolarHBondContact CD2-O 3.18Å; H495-P505 PolarHBondContact N-O 3.08Å; H495-S507 PolarHBondContact CE1-OG 2.88Å; H495-S507 WeakPolarHBondContact NE2-CB 3.43Å; H495-S507 PolarHBondContact NE2-OG 3.49Å
496	M	97.9	Very high	98.2	Very high	59 Å²	59	37.6 Å²	37.6	29%	0.291	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.3	-172.8	-69.5	-61.6	-63.9	0	0	113.2	V453 Y458 D463 M498 K504	V453-M496 HydrophobicContact CG2-SD 4.06Å; Y458-M496 HydrophobicContact CE1-CE 3.79Å; D463-M496 HydrophobicContact CB-CE 4.17Å; D463-M496 VanDerWaalsContact OD1-O 3.09Å; M496-M498 PolarHBondContact O-N 2.98Å; M496-K504 PolarHBondContact O-NZ 3.32Å; M496-K504 VanDerWaalsContact O-NZ 3.15Å; M496-K504 HydrophobicContact SD-CD 4.22Å; M496-K504 HydrophobicContact SD-CG 3.82Å
497	E	96.9	Very high	98.3	Very high	98 Å²	98	33.4 Å²	33.4	46%	0.458	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.2	177.2	68.9	-83.1	-160.4	0	0	113.3	P241 H495 K499	P241-E497 HydrophobicContact CB-CG 3.53Å; P241-E497 VanDerWaalsContact CB-OE1 3.31Å; P241-E497 WeakPolarHBondContact CB-OE1 3.47Å; P241-E497 HydrophobicContact CG-CG 4.29Å; H495-E497 VanDerWaalsContact C-N 3.28Å; H495-E497 WeakPolarHBondContact CA-OE2 3.29Å; H495-E497 IonicContact ND1-OE1 3.11Å; H495-E497 PolarHBondContact O-N 3.47Å; E497-K499 WeakPolarHBondContact O-CG 3.31Å
498	M	97.6	Very high	98.3	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	15%	0.151	C	C	.	.			trans	-84.1	116.3	172.6	-56.2	-55.5	-61.4	0	0	109.5	W228 L239 P241 W242 H495 M496 K504 P505	W228-M498 HydrophobicContact CH2-CB 4.08Å; W228-M498 HydrophobicContact CH2-CE 3.75Å; W228-M498 HydrophobicContact CZ2-CB 4.01Å; W228-M498 HydrophobicContact CZ3-CE 4.02Å; L239-M498 HydrophobicContact CD2-CE 3.67Å; P241-M498 HydrophobicContact CB-SD 4.17Å; P241-M498 HydrophobicContact CG-SD 4.2Å; W242-M498 HydrophobicContact CB-CG 4.21Å; H495-M498 HydrophobicContact CB-CG 4.11Å; H495-M498 PolarHBondContact O-N 2.86Å; M496-M498 PolarHBondContact O-N 2.98Å; M498-K504 VanDerWaalsContact O-CD 3.27Å; M498-K504 WeakPolarHBondContact O-CD 3.25Å; M498-K504 PolarHBondContact O-NZ 3.38Å; M498-P505 HydrophobicContact CB-CG 3.46Å; M498-P505 VanDerWaalsContact CB-CG 3.46Å; M498-P505 HydrophobicContact CG-CG 3.64Å
499	K	97.9	Very high	98.4	Very high	72 Å²	72	28 Å²	28	31%	0.313	13%	0.131	S	C	.	.			trans	-124.8	7.2	-171.3	-42.4	-170.7	-171.5	-175.6	0	113.9	K461 D463 E497 S501	K461-K499 WeakPolarHBondContact CA-O 3.36Å; K461-K499 PolarHBondContact N-O 3.18Å; D463-K499 WeakPolarHBondContact OD1-CD 3.17Å; D463-K499 VanDerWaalsContact OD1-CE 3.31Å; D463-K499 WeakPolarHBondContact OD1-CE 3.32Å; D463-K499 IonicContact OD1-NZ 3.3Å; D463-K499 VanDerWaalsContact OD2-CE 3.23Å; D463-K499 WeakPolarHBondContact OD2-CE 3.38Å; D463-K499 IonicContact OD2-NZ 2.84Å; D463-K499 PolarHBondContact OD2-NZ 2.85Å; E497-K499 WeakPolarHBondContact O-CG 3.31Å; K499-S501 PolarHBondContact O-N 2.99Å
500	T	97.4	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-55.3	-40.4	-177.6	-41.2	0	0	0	0	112.4	W228 Q233 S234 D236	W228-T500 VanDerWaalsContact CH2-OG1 3.31Å; W228-T500 WeakPolarHBondContact CH2-OG1 3.35Å; Q233-T500 HydrophobicContact CB-CG2 3.93Å; S234-T500 WeakPolarHBondContact O-CG2 3.38Å; D236-T500 HydrophobicContact CB-CG2 4.28Å; D236-T500 WeakPolarHBondContact OD1-CB 3.41Å; D236-T500 WeakPolarHBondContact OD1-CG2 3.2Å; D236-T500 PolarHBondContact OD1-OG1 2.91Å; D236-T500 WeakPolarHBondContact OD2-CA 3.37Å
501	S	98.1	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-109.3	172.4	-174	-175.3	0	0	0	0	112	N229 K499 H503	N229-S501 VanDerWaalsContact O-CB 3.31Å; N229-S501 WeakPolarHBondContact O-CB 3.19Å; N229-S501 PolarHBondContact O-OG 2.91Å; K499-S501 PolarHBondContact O-N 2.99Å; S501-H503 VanDerWaalsContact C-N 3.27Å; S501-H503 PolarHBondContact OG-N 2.71Å
502	D	98.2	Very high	98.4	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.043	10%	0.099	C	C	.	.	S	Bend	trans	-82.7	-4.6	165.9	62.6	-29.8	0	0	0	113.1	N231 K457 Y458 T460	N231-D502 VanDerWaalsContact CB-OD1 3.24Å; N231-D502 WeakPolarHBondContact CB-OD1 3.36Å; N231-D502 PolarHBondContact ND2-OD1 3.31Å; N231-D502 PolarHBondContact ND2-OD2 3.27Å; K457-D502 HydrophobicContact CG-CB 4.1Å; K457-D502 IonicContact NZ-OD2 3.93Å; K457-D502 PolarHBondContact NZ-OD2 3.17Å; Y458-D502 PolarHBondContact N-O 2.81Å; Y458-D502 WeakPolarHBondContact O-CB 3.21Å; T460-D502 HydrophobicContact CG2-CB 4.07Å
503	H	98.8	Very high	98.4	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.019	10%	0.099	C	C	.	.	S	Bend	trans	-104.1	149.3	163.6	-71.9	-120.5	0	0	0	111.6	W228 N229 D401 T455 Y456 D478 S501	W228-H503 PolarHBondContact NE1-O 2.81Å; N229-H503 HydrophobicContact CB-CB 4.06Å; N229-H503 PolarHBondContact ND2-NE2 2.72Å; D401-H503 IonicContact OD2-CE1 3.74Å; D401-H503 PolarHBondContact OD2-CE1 2.84Å; D401-H503 IonicContact OD2-NE2 3.56Å; T455-H503 CarbonylContact O-C 3.5Å; T455-H503 VanDerWaalsContact O-CA 3.28Å; T455-H503 WeakPolarHBondContact O-CA 3.47Å; Y456-H503 AromaticContact CD2-CD2 3.62Å; Y456-H503 AromaticContact CD2-CE1 3.51Å; Y456-H503 AromaticContact CD2-NE2 3.15Å; Y456-H503 WeakPolarHBondContact CD2-NE2 3.45Å; Y456-H503 AromaticContact CE2-NE2 3.53Å; D478-H503 IonicContact OD1-ND1 2.67Å; D478-H503 PolarHBondContact OD1-ND1 2.76Å; D478-H503 IonicContact OD2-CE1 3.93Å; D478-H503 IonicContact OD2-CG 3.61Å; D478-H503 IonicContact OD2-ND1 3.25Å; D478-H503 PolarHBondContact OD2-ND1 3.04Å; S501-H503 VanDerWaalsContact C-N 3.27Å; S501-H503 PolarHBondContact OG-N 2.71Å
504	K	98.6	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.			trans	-92.5	136.5	168.3	-56.8	-61.1	-175.7	175.4	0	110.2	T455 Y458 T462 D463 M496 M498	T455-K504 PolarHBondContact O-N 3.31Å; Y458-K504 HydrophobicContact CD2-CD 4.34Å; Y458-K504 HydrophobicContact CD2-CG 3.88Å; Y458-K504 HydrophobicContact CE2-CD 4.34Å; Y458-K504 HydrophobicContact CE2-CG 3.52Å; T462-K504 PolarHBondContact O-NZ 3.42Å; D463-K504 IonicContact OD1-NZ 2.85Å; D463-K504 PolarHBondContact OD1-NZ 3.21Å; M496-K504 PolarHBondContact O-NZ 3.32Å; M496-K504 VanDerWaalsContact O-NZ 3.15Å; M496-K504 HydrophobicContact SD-CD 4.22Å; M496-K504 HydrophobicContact SD-CG 3.82Å; M498-K504 VanDerWaalsContact O-CD 3.27Å; M498-K504 WeakPolarHBondContact O-CD 3.25Å; M498-K504 PolarHBondContact O-NZ 3.38Å
505	P	98.8	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.			trans	-62.4	151.6	174.4	6.5	-1.4	0	0	0	110.5	T227 W228 W242 S494 H495 M498	T227-P505 WeakPolarHBondContact O-CA 3.16Å; W228-P505 HydrophobicContact CB-CB 3.94Å; W228-P505 HydrophobicContact CD2-CB 3.84Å; W228-P505 HydrophobicContact CD2-CG 3.68Å; W228-P505 HydrophobicContact CE3-CB 4.34Å; W228-P505 HydrophobicContact CE3-CG 4.11Å; W228-P505 HydrophobicContact CG-CB 3.66Å; W228-P505 HydrophobicContact CG-CG 3.98Å; W228-P505 HydrophobicContact CH2-CG 4.42Å; W228-P505 HydrophobicContact CZ2-CG 4.03Å; W228-P505 HydrophobicContact CZ3-CG 4.47Å; W242-P505 HydrophobicContact CD2-CB 3.75Å; W242-P505 HydrophobicContact CD2-CG 4.31Å; W242-P505 HydrophobicContact CE3-CB 4.33Å; W242-P505 HydrophobicContact CG-CB 3.97Å; W242-P505 HydrophobicContact CG-CG 4.31Å; W242-P505 HydrophobicContact CZ2-CB 3.97Å; S494-P505 CarbonylContact C-O 3.57Å; S494-P505 VanDerWaalsContact CA-O 3.27Å; S494-P505 WeakPolarHBondContact CA-O 3.08Å; H495-P505 HydrophobicContact CB-CG 4.16Å; H495-P505 PolarHBondContact CD2-O 3.18Å; H495-P505 PolarHBondContact N-O 3.08Å; M498-P505 HydrophobicContact CB-CG 3.46Å; M498-P505 VanDerWaalsContact CB-CG 3.46Å; M498-P505 HydrophobicContact CG-CG 3.64Å
506	V	98.9	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.5	173.7	178	0	0	0	0	108.9	G226 T227 W242 F452 T455 D478 I480 Y492 R493	G226-V506 WeakPolarHBondContact CA-O 3.32Å; T227-V506 HydrophobicContact CG2-CB 3.93Å; T227-V506 PolarHBondContact N-O 2.84Å; T227-V506 PolarHBondContact O-N 3.1Å; W242-V506 PolarHBondContact NE1-O 3.3Å; F452-V506 HydrophobicContact CE2-CG2 4.21Å; F452-V506 HydrophobicContact CZ-CG1 4.12Å; F452-V506 HydrophobicContact CZ-CG2 4.47Å; T455-V506 HydrophobicContact CG2-CG2 3.53Å; D478-V506 HydrophobicContact CB-CG2 3.75Å; I480-V506 HydrophobicContact CD1-CG1 4Å; I480-V506 HydrophobicContact CG1-CG1 4.36Å; Y492-V506 HydrophobicContact CD2-CG1 4.06Å; Y492-V506 HydrophobicContact CE2-CG1 3.56Å; R493-V506 CarbonylContact O-C 3.56Å; R493-V506 WeakPolarHBondContact O-CA 3.34Å
507	S	98.9	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.7	167.2	75.9	0	0	0	0	113.6	I225 R493 H495	I225-S507 CarbonylContact O-C 3.54Å; I225-S507 WeakPolarHBondContact O-CA 3.34Å; R493-S507 PolarHBondContact N-O 3.29Å; R493-S507 PolarHBondContact NH1-OG 2.69Å; R493-S507 PolarHBondContact O-N 2.82Å; H495-S507 PolarHBondContact CE1-OG 2.88Å; H495-S507 WeakPolarHBondContact NE2-CB 3.43Å; H495-S507 PolarHBondContact NE2-OG 3.49Å
508	S	98.9	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132	171.8	-178.6	0	0	0	0	109.5	I225 Q489 K491 F510	I225-S508 PolarHBondContact N-O 3.04Å; I225-S508 PolarHBondContact O-N 3.09Å; Q489-S508 WeakPolarHBondContact CG-OG 3.22Å; Q489-S508 PolarHBondContact NE2-OG 2.82Å; K491-S508 VanDerWaalsContact O-CA 3.24Å; K491-S508 WeakPolarHBondContact O-CA 3.17Å; K491-S508 PolarHBondContact O-OG 3.12Å; S508-F510 VanDerWaalsContact CB-CE2 3.5Å; S508-F510 WeakPolarHBondContact OG-CE2 3.36Å; S508-F510 WeakPolarHBondContact OG-CZ 3.42Å
509	L	98.8	Very high	97.9	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.105	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.4	171	-176.7	72.6	0	0	0	108.5	F224 P250 L490 K491	F224-L509 HydrophobicContact CB-CD1 4.47Å; P250-L509 HydrophobicContact CB-CD1 4.29Å; L490-L509 HydrophobicContact CB-CD2 4.25Å; L490-L509 HydrophobicContact CB-CG 4.44Å; L490-L509 HydrophobicContact CD1-CD2 3.94Å; L490-L509 HydrophobicContact CD1-CG 4.3Å; L490-L509 PolarHBondContact N-O 2.84Å; K491-L509 HydrophobicContact CB-CB 4.12Å; K491-L509 HydrophobicContact CG-CB 4.4Å; K491-L509 PolarHBondContact N-O 2.87Å; K491-L509 PolarHBondContact O-N 3.29Å
510	F	98.9	Very high	97.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.1	176.7	-60.6	-87.8	0	0	0	111.7	S222 F223 I225 I480 W482 V487 Q488 Q489 S508 I512	S222-F510 CarbonylContact C-O 3.6Å; S222-F510 WeakPolarHBondContact CA-O 3.24Å; F223-F510 HydrophobicContact CB-CB 4.3Å; F223-F510 PolarHBondContact N-O 3.07Å; F223-F510 PolarHBondContact O-N 3.32Å; I225-F510 HydrophobicContact CB-CD2 4.47Å; I225-F510 HydrophobicContact CB-CE2 4.11Å; I225-F510 HydrophobicContact CG1-CD2 3.68Å; I225-F510 HydrophobicContact CG1-CE2 3.65Å; I480-F510 HydrophobicContact CG2-CE2 4.15Å; I480-F510 HydrophobicContact CG2-CZ 4.2Å; W482-F510 AromaticContact CD2-CE1 3.71Å; W482-F510 HydrophobicContact CD2-CE1 3.71Å; W482-F510 HydrophobicContact CD2-CZ 4.28Å; W482-F510 AromaticContact CE3-CE1 3.51Å; W482-F510 HydrophobicContact CE3-CE1 3.51Å; W482-F510 AromaticContact CE3-CZ 3.81Å; W482-F510 HydrophobicContact CE3-CZ 3.81Å; W482-F510 HydrophobicContact CG-CE1 4.2Å; W482-F510 HydrophobicContact CH2-CE1 4.43Å; W482-F510 AromaticContact CZ3-CE1 3.89Å; W482-F510 HydrophobicContact CZ3-CE1 3.89Å; W482-F510 HydrophobicContact CZ3-CZ 4.34Å; V487-F510 HydrophobicContact CG1-CD1 3.57Å; V487-F510 HydrophobicContact CG1-CE1 4.05Å; V487-F510 HydrophobicContact CG1-CG 4.35Å; Q488-F510 CarbonylContact O-C 3.6Å; Q488-F510 WeakPolarHBondContact O-CA 3.48Å; Q489-F510 HydrophobicContact CB-CD1 3.79Å; Q489-F510 HydrophobicContact CB-CE1 3.73Å; Q489-F510 HydrophobicContact CG-CD1 3.92Å; Q489-F510 HydrophobicContact CG-CE1 3.63Å; Q489-F510 HydrophobicContact CG-CZ 4.25Å; S508-F510 VanDerWaalsContact CB-CE2 3.5Å; S508-F510 WeakPolarHBondContact OG-CE2 3.36Å; S508-F510 WeakPolarHBondContact OG-CZ 3.42Å; F510-I512 HydrophobicContact CB-CD1 4.04Å; F510-I512 HydrophobicContact CB-CG1 3.8Å
511	K	98.6	Very high	97.7	Very high	94 Å²	94	31.3 Å²	31.3	41%	0.409	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.4	163	-171.6	172.8	-175.9	176.4	0	107.2	P220 F221 Q488 L490	P220-K511 HydrophobicContact CB-CD 4.2Å; P220-K511 VanDerWaalsContact CB-CE 3.43Å; P220-K511 HydrophobicContact CB-CG 3.78Å; F221-K511 CarbonylContact O-C 3.56Å; F221-K511 WeakPolarHBondContact O-CA 3.43Å; Q488-K511 HydrophobicContact CB-CB 4.43Å; Q488-K511 PolarHBondContact N-O 3.25Å; Q488-K511 PolarHBondContact O-N 2.91Å; L490-K511 HydrophobicContact CD1-CB 4.03Å; L490-K511 HydrophobicContact CD2-CB 4.33Å; L490-K511 HydrophobicContact CG-CB 4.21Å
512	I	98.8	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.3	-171.2	-52.1	-174.5	0	0	0	109.3	P220 F221 F223 F350 V395 I397 N486 V487 F510 V514	P220-I512 WeakPolarHBondContact CA-O 3.35Å; F221-I512 PolarHBondContact N-O 3.37Å; F221-I512 PolarHBondContact O-N 3.3Å; F223-I512 HydrophobicContact CB-CD1 4.09Å; F223-I512 HydrophobicContact CD1-CD1 4.2Å; F223-I512 HydrophobicContact CD2-CB 3.94Å; F223-I512 HydrophobicContact CD2-CD1 3.67Å; F223-I512 HydrophobicContact CD2-CG1 3.8Å; F223-I512 HydrophobicContact CE2-CB 3.88Å; F223-I512 HydrophobicContact CE2-CD1 4.06Å; F223-I512 HydrophobicContact CE2-CG1 4.21Å; F223-I512 HydrophobicContact CG-CD1 3.75Å; F223-I512 HydrophobicContact CG-CG1 4.32Å; F223-I512 HydrophobicContact CZ-CD1 4.47Å; F350-I512 HydrophobicContact CE1-CD1 4.06Å; F350-I512 HydrophobicContact CE1-CG2 4.04Å; F350-I512 HydrophobicContact CZ-CG2 4.01Å; V395-I512 HydrophobicContact CG1-CD1 4.4Å; V395-I512 HydrophobicContact CG2-CG2 4.17Å; I397-I512 HydrophobicContact CD1-CD1 4.1Å; N486-I512 WeakPolarHBondContact O-CA 3.42Å; V487-I512 HydrophobicContact CG1-CD1 4.43Å; V487-I512 HydrophobicContact CG1-CG1 4.25Å; V487-I512 HydrophobicContact CG2-CD1 4.43Å; V487-I512 HydrophobicContact CG2-CG1 4.37Å; V487-I512 HydrophobicContact CG2-CG2 4.06Å; F510-I512 HydrophobicContact CB-CD1 4.04Å; F510-I512 HydrophobicContact CB-CG1 3.8Å; I512-V514 PolarHBondContact O-N 2.92Å
513	G	98.5	Very high	97.5	Very high	10 Å²	10	40 Å²	40	10%	0.103	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.7	173.1	0	0	0	0	0	111.3	N486	N486-G513 PolarHBondContact O-N 3.28Å
514	V	98.4	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.7	179.2	174	0	0	0	0	109.2	I218 Q219 F221 F345 H346 F350 I512 V516	I218-V514 WeakPolarHBondContact CA-O 2.8Å; Q219-V514 PolarHBondContact N-O 3.39Å; Q219-V514 PolarHBondContact O-N 2.97Å; F221-V514 HydrophobicContact CB-CG2 4.45Å; F221-V514 HydrophobicContact CD2-CB 3.59Å; F221-V514 HydrophobicContact CD2-CG1 4.4Å; F221-V514 HydrophobicContact CD2-CG2 3.62Å; F221-V514 HydrophobicContact CE2-CB 3.77Å; F221-V514 HydrophobicContact CE2-CG1 4.23Å; F221-V514 HydrophobicContact CE2-CG2 4.27Å; F221-V514 HydrophobicContact CG-CG2 4.38Å; F345-V514 HydrophobicContact CD1-CG1 4.04Å; F345-V514 HydrophobicContact CD1-CG2 3.85Å; F345-V514 HydrophobicContact CE1-CG1 4.42Å; F345-V514 HydrophobicContact CE1-CG2 4.13Å; F345-V514 VanDerWaalsContact O-CG1 3.32Å; F345-V514 WeakPolarHBondContact O-CG1 3.35Å; H346-V514 HydrophobicContact CB-CG1 3.94Å; F350-V514 HydrophobicContact CE2-CG2 4.19Å; F350-V514 HydrophobicContact CZ-CG2 3.94Å; I512-V514 PolarHBondContact O-N 2.92Å; V514-V516 HydrophobicContact CG1-CG2 4.42Å; V514-V516 PolarHBondContact O-N 3.45Å
515	K	97.3	Very high	97.2	Very high	62 Å²	62	47.4 Å²	47.4	27%	0.27	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	109.9	172.7	-68.9	-172.6	-177	-173.7	0	109.9	E212 V216 H346 N347 T348	E212-K515 VanDerWaalsContact CD-NZ 3.35Å; E212-K515 WeakPolarHBondContact OE1-CD 3.26Å; E212-K515 IonicContact OE1-NZ 2.8Å; E212-K515 PolarHBondContact OE1-NZ 2.9Å; E212-K515 VanDerWaalsContact OE1-NZ 3.17Å; E212-K515 IonicContact OE2-NZ 3.52Å; E212-K515 PolarHBondContact OE2-NZ 3.45Å; V216-K515 HydrophobicContact CG1-CB 3.59Å; V216-K515 HydrophobicContact CG1-CD 4.32Å; V216-K515 HydrophobicContact CG1-CG 3.92Å; H346-K515 WeakPolarHBondContact CB-O 3.31Å; N347-K515 HydrophobicContact CB-CB 3.74Å; N347-K515 HydrophobicContact CB-CD 4.48Å; N347-K515 WeakPolarHBondContact CB-O 3.12Å; N347-K515 PolarHBondContact N-O 2.97Å; T348-K515 PolarHBondContact OG1-N 2.94Å
516	V	97.3	Very high	97	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.1	175.8	-179.6	0	0	0	0	109.1	V216 D217 Q219 F221 H346 V514	V216-V516 WeakPolarHBondContact CA-O 3.45Å; D217-V516 PolarHBondContact N-O 3.32Å; D217-V516 PolarHBondContact O-N 2.76Å; Q219-V516 HydrophobicContact CB-CG2 3.86Å; Q219-V516 HydrophobicContact CG-CB 4.08Å; Q219-V516 HydrophobicContact CG-CG2 3.94Å; F221-V516 HydrophobicContact CE2-CG2 3.85Å; F221-V516 HydrophobicContact CZ-CG2 4.11Å; H346-V516 HydrophobicContact CB-CG2 4.31Å; V514-V516 HydrophobicContact CG1-CG2 4.42Å; V514-V516 PolarHBondContact O-N 3.45Å
517	V	94.9	Very high	96.8	Very high	29 Å²	29	55.3 Å²	55.3	18%	0.176	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.4	176.6	171.6	0	0	0	0	110.3	Y215 V216 N347 Q522	Y215-V517 HydrophobicContact CD2-CG1 4.09Å; Y215-V517 HydrophobicContact CD2-CG2 4.42Å; Y215-V517 HydrophobicContact CE2-CG2 4.32Å; V216-V517 HydrophobicContact CG2-CG2 3.91Å; N347-V517 VanDerWaalsContact ND2-CG2 3.3Å; N347-V517 WeakPolarHBondContact ND2-CG2 3.4Å; V517-Q522 HydrophobicContact CG1-CB 4.02Å; V517-Q522 HydrophobicContact CG1-CG 4.4Å
518	D	95.8	Very high	96.6	Very high	50 Å²	50	59 Å²	59	27%	0.267	27%	0.271	S	S	.	.			trans	-85.7	107.8	162.3	179.7	-37.5	0	0	0	108.9	Y215 Q520 R521 Q522	Y215-D518 PolarHBondContact O-N 2.86Å; D518-Q520 PolarHBondContact O-N 2.82Å; D518-Q520 WeakPolarHBondContact OD1-CA 3.4Å; D518-Q520 WeakPolarHBondContact OD1-CB 3.05Å; D518-Q520 PolarHBondContact OD1-N 3.02Å; D518-R521 HydrophobicContact CB-CB 4.12Å; D518-R521 VanDerWaalsContact CB-NH2 3.33Å; D518-R521 VanDerWaalsContact CG-NE 3.3Å; D518-R521 PolarHBondContact O-N 3.04Å; D518-R521 PolarHBondContact OD1-N 3.42Å; D518-R521 IonicContact OD2-CZ 3.34Å; D518-R521 VanDerWaalsContact OD2-CZ 3.26Å; D518-R521 IonicContact OD2-NE 3.87Å; D518-R521 PolarHBondContact OD2-NE 3.36Å; D518-R521 IonicContact OD2-NH2 2.68Å; D518-R521 PolarHBondContact OD2-NH2 3.5Å; D518-Q522 WeakPolarHBondContact O-CB 3.13Å; D518-Q522 PolarHBondContact O-N 3.05Å
519	E	93.6	Very high	96.3	Very high	158 Å²	158	59.5 Å²	59.5	74%	0.738	27%	0.274	S	S	*	.	H	α-helix	trans	-61.5	-30.4	-176.6	-63	178.7	179.4	0	0	112.6	K523	E519-K523 VanDerWaalsContact O-CB 3.26Å; E519-K523 WeakPolarHBondContact O-CB 3.28Å; E519-K523 PolarHBondContact O-N 2.8Å
520	Q	95.8	Very high	96	Very high	132 Å²	132	59.9 Å²	59.9	62%	0.617	28%	0.277	S	S	*	.	H	α-helix	trans	-75.6	-44.6	179.1	-61.2	-168.7	14.7	0	0	111.5	D518 K523 R524	D518-Q520 PolarHBondContact O-N 2.82Å; D518-Q520 WeakPolarHBondContact OD1-CA 3.4Å; D518-Q520 WeakPolarHBondContact OD1-CB 3.05Å; D518-Q520 PolarHBondContact OD1-N 3.02Å; Q520-K523 PolarHBondContact O-N 3.03Å; Q520-R524 WeakPolarHBondContact O-CG 3.34Å; Q520-R524 PolarHBondContact O-N 3.39Å; Q520-R524 VanDerWaalsContact O-N 3.13Å
521	R	96.6	Very high	95.6	Very high	75 Å²	75	66.2 Å²	66.2	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-43.6	173.3	-79.4	-177.2	-79	156.9	-5.4	110.7	E214 D217 D518 K523 R524 V525	E214-R521 WeakPolarHBondContact O-CD 3.14Å; D217-R521 IonicContact OD1-CZ 2.67Å; D217-R521 IonicContact OD1-NH1 3.68Å; D217-R521 PolarHBondContact OD1-NH1 3.34Å; D217-R521 IonicContact OD1-NH2 3.55Å; D217-R521 PolarHBondContact OD1-NH2 2.91Å; D217-R521 IonicContact OD2-CZ 3.87Å; D217-R521 IonicContact OD2-NH1 2.71Å; D217-R521 IonicContact OD2-NH2 3.67Å; D217-R521 PolarHBondContact OD2-NH2 3.24Å; D518-R521 HydrophobicContact CB-CB 4.12Å; D518-R521 VanDerWaalsContact CB-NH2 3.33Å; D518-R521 VanDerWaalsContact CG-NE 3.3Å; D518-R521 PolarHBondContact O-N 3.04Å; D518-R521 PolarHBondContact OD1-N 3.42Å; D518-R521 IonicContact OD2-CZ 3.34Å; D518-R521 VanDerWaalsContact OD2-CZ 3.26Å; D518-R521 IonicContact OD2-NE 3.87Å; D518-R521 PolarHBondContact OD2-NE 3.36Å; D518-R521 IonicContact OD2-NH2 2.68Å; D518-R521 PolarHBondContact OD2-NH2 3.5Å; R521-K523 VanDerWaalsContact C-N 3.33Å; R521-K523 PolarHBondContact O-N 2.93Å; R521-R524 PolarHBondContact O-N 3.34Å; R521-V525 VanDerWaalsContact O-CG2 3.3Å; R521-V525 WeakPolarHBondContact O-CG2 3.47Å; R521-V525 PolarHBondContact O-N 3.44Å
522	Q	95.9	Very high	95.2	Very high	60 Å²	60	63.5 Å²	63.5	28%	0.28	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-44	178.3	-169.9	-176.3	41.8	0	0	111.3	L208 Y215 V517 D518 V525 F526	L208-Q522 HydrophobicContact CD1-CG 4.34Å; L208-Q522 HydrophobicContact CD2-CG 4.41Å; Y215-Q522 VanDerWaalsContact CB-N 3.34Å; Y215-Q522 HydrophobicContact CD1-CB 4.47Å; Y215-Q522 HydrophobicContact CD1-CG 4.34Å; Y215-Q522 HydrophobicContact CD2-CB 3.75Å; Y215-Q522 HydrophobicContact CD2-CG 3.76Å; Y215-Q522 HydrophobicContact CE1-CG 4.45Å; Y215-Q522 HydrophobicContact CE2-CB 4.41Å; Y215-Q522 HydrophobicContact CE2-CG 3.91Å; Y215-Q522 HydrophobicContact CG-CB 3.8Å; Y215-Q522 HydrophobicContact CG-CG 4.01Å; V517-Q522 HydrophobicContact CG1-CB 4.02Å; V517-Q522 HydrophobicContact CG1-CG 4.4Å; D518-Q522 WeakPolarHBondContact O-CB 3.13Å; D518-Q522 PolarHBondContact O-N 3.05Å; Q522-V525 PolarHBondContact O-N 3.27Å; Q522-F526 WeakPolarHBondContact O-CB 3.39Å; Q522-F526 PolarHBondContact O-N 3.26Å
523	K	95.1	Very high	94.5	Very high	131 Å²	131	63.5 Å²	63.5	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-59.8	-46.5	176.2	178.8	172.4	172.3	174.7	0	112.2	E519 Q520 R521 V525 F526 E527	E519-K523 VanDerWaalsContact O-CB 3.26Å; E519-K523 WeakPolarHBondContact O-CB 3.28Å; E519-K523 PolarHBondContact O-N 2.8Å; Q520-K523 PolarHBondContact O-N 3.03Å; R521-K523 VanDerWaalsContact C-N 3.33Å; R521-K523 PolarHBondContact O-N 2.93Å; K523-V525 PolarHBondContact O-N 3.43Å; K523-F526 PolarHBondContact O-N 2.85Å; K523-E527 WeakPolarHBondContact CE-OE1 3.23Å; K523-E527 WeakPolarHBondContact CG-OE1 3.38Å; K523-E527 IonicContact NZ-OE1 3.77Å; K523-E527 WeakPolarHBondContact O-CG 3.31Å; K523-E527 PolarHBondContact O-N 2.93Å
524	R	96.3	Very high	94	Very high	148 Å²	148	65 Å²	65	56%	0.558	30%	0.301	S	S	*	.	H	α-helix	trans	-60	-47	176.9	-67.9	172.5	-164.2	-179.6	7.4	111.6	Q520 R521 F526 E527 D528	Q520-R524 WeakPolarHBondContact O-CG 3.34Å; Q520-R524 PolarHBondContact O-N 3.39Å; Q520-R524 VanDerWaalsContact O-N 3.13Å; R521-R524 PolarHBondContact O-N 3.34Å; R524-F526 VanDerWaalsContact C-N 3.33Å; R524-F526 PolarHBondContact O-N 2.89Å; R524-E527 PolarHBondContact O-N 2.73Å; R524-D528 PolarHBondContact O-N 2.97Å
525	V	95.7	Very high	93.4	Very high	10 Å²	10	72.3 Å²	72.3	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-39.5	178.6	176	0	0	0	0	111.4	L208 K211 E214 Y215 R521 Q522 K523 D528 I529	L208-V525 HydrophobicContact CD1-CB 4.33Å; L208-V525 HydrophobicContact CD1-CG1 3.84Å; K211-V525 HydrophobicContact CB-CG1 3.82Å; K211-V525 HydrophobicContact CD-CG1 3.87Å; K211-V525 HydrophobicContact CG-CG1 4.48Å; E214-V525 HydrophobicContact CB-CG2 3.88Å; Y215-V525 HydrophobicContact CD1-CB 4.31Å; Y215-V525 HydrophobicContact CD1-CG1 4.27Å; Y215-V525 HydrophobicContact CD1-CG2 4.36Å; R521-V525 VanDerWaalsContact O-CG2 3.3Å; R521-V525 WeakPolarHBondContact O-CG2 3.47Å; R521-V525 PolarHBondContact O-N 3.44Å; Q522-V525 PolarHBondContact O-N 3.27Å; K523-V525 PolarHBondContact O-N 3.43Å; V525-D528 PolarHBondContact O-N 3.38Å; V525-I529 HydrophobicContact CG1-CD1 4Å; V525-I529 WeakPolarHBondContact O-CD1 3.46Å; V525-I529 VanDerWaalsContact O-CG1 3.25Å; V525-I529 WeakPolarHBondContact O-CG1 3.49Å; V525-I529 PolarHBondContact O-N 3.05Å
526	F	94.3	Very high	92.8	Very high	93 Å²	93	72.2 Å²	72.2	41%	0.408	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-48.7	173.7	175.4	-89.8	0	0	0	111.9	I204 L208 Q522 K523 R524 D528 I529 V530	I204-F526 HydrophobicContact CG2-CD2 3.75Å; I204-F526 HydrophobicContact CG2-CE2 3.51Å; I204-F526 HydrophobicContact CG2-CZ 4.47Å; L208-F526 HydrophobicContact CD1-CB 4.4Å; Q522-F526 WeakPolarHBondContact O-CB 3.39Å; Q522-F526 PolarHBondContact O-N 3.26Å; K523-F526 PolarHBondContact O-N 2.85Å; R524-F526 VanDerWaalsContact C-N 3.33Å; R524-F526 PolarHBondContact O-N 2.89Å; F526-D528 VanDerWaalsContact C-N 3.29Å; F526-D528 PolarHBondContact O-N 2.86Å; F526-I529 PolarHBondContact O-N 2.86Å; F526-V530 HydrophobicContact CD1-CG2 4.22Å; F526-V530 HydrophobicContact CE1-CG2 3.84Å; F526-V530 HydrophobicContact CE2-CG2 4.37Å; F526-V530 HydrophobicContact CZ-CG2 3.93Å; F526-V530 WeakPolarHBondContact O-CG2 3.31Å; F526-V530 PolarHBondContact O-N 3.47Å
527	E	94.6	Very high	92.1	Very high	74 Å²	74	74.4 Å²	74.4	35%	0.346	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-38.8	175.8	-73.5	171.2	-176.5	0	0	111.8	K523 R524 V530 R531	K523-E527 WeakPolarHBondContact CE-OE1 3.23Å; K523-E527 WeakPolarHBondContact CG-OE1 3.38Å; K523-E527 IonicContact NZ-OE1 3.77Å; K523-E527 WeakPolarHBondContact O-CG 3.31Å; K523-E527 PolarHBondContact O-N 2.93Å; R524-E527 PolarHBondContact O-N 2.73Å; E527-V530 PolarHBondContact O-N 3.41Å; E527-R531 VanDerWaalsContact O-CB 3.28Å; E527-R531 WeakPolarHBondContact O-CB 3.15Å; E527-R531 WeakPolarHBondContact O-CG 3.26Å; E527-R531 PolarHBondContact O-N 2.93Å; E527-R531 PolarHBondContact O-NE 2.76Å
528	D	94.4	Very high	91.6	Very high	77 Å²	77	75.9 Å²	75.9	41%	0.412	35%	0.347	S	S	.	.	H	α-helix	trans	-66.8	-40.6	175.3	-74.8	-24.3	0	0	0	113	R524 V525 F526 R531 A532	R524-D528 PolarHBondContact O-N 2.97Å; V525-D528 PolarHBondContact O-N 3.38Å; F526-D528 VanDerWaalsContact C-N 3.29Å; F526-D528 PolarHBondContact O-N 2.86Å; D528-R531 IonicContact OD1-CZ 2.61Å; D528-R531 IonicContact OD1-NE 3.43Å; D528-R531 IonicContact OD1-NH2 3.37Å; D528-R531 PolarHBondContact OD1-NH2 3.47Å; D528-A532 VanDerWaalsContact O-CB 3.25Å; D528-A532 WeakPolarHBondContact O-CB 3.24Å; D528-A532 PolarHBondContact O-N 3.05Å
529	I	93.2	Very high	90.9	Very high	10 Å²	10	77.6 Å²	77.6	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-47.3	174.6	-70	162.1	0	0	0	110.4	I204 R207 L208 K211 V525 F526 A532 M533	I204-I529 HydrophobicContact CG1-CG2 4.36Å; I204-I529 HydrophobicContact CG2-CG2 4.24Å; R207-I529 HydrophobicContact CB-CD1 4.06Å; R207-I529 HydrophobicContact CB-CG1 4.29Å; R207-I529 HydrophobicContact CB-CG2 3.9Å; L208-I529 HydrophobicContact CB-CD1 3.97Å; L208-I529 HydrophobicContact CD1-CD1 3.99Å; K211-I529 HydrophobicContact CD-CD1 3.96Å; K211-I529 HydrophobicContact CD-CG1 4.11Å; V525-I529 HydrophobicContact CG1-CD1 4Å; V525-I529 WeakPolarHBondContact O-CD1 3.46Å; V525-I529 VanDerWaalsContact O-CG1 3.25Å; V525-I529 WeakPolarHBondContact O-CG1 3.49Å; V525-I529 PolarHBondContact O-N 3.05Å; F526-I529 PolarHBondContact O-N 2.86Å; I529-A532 PolarHBondContact O-N 2.97Å; I529-M533 HydrophobicContact CG2-SD 4.1Å; I529-M533 WeakPolarHBondContact O-CG 3.45Å; I529-M533 PolarHBondContact O-N 2.95Å
530	V	91.2	Very high	90.3	Very high	29 Å²	29	71.7 Å²	71.7	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-48.9	178.4	171.3	0	0	0	0	110.5	I204 F526 E527 A532 M533 D534	I204-V530 HydrophobicContact CD1-CG2 4.08Å; F526-V530 HydrophobicContact CD1-CG2 4.22Å; F526-V530 HydrophobicContact CE1-CG2 3.84Å; F526-V530 HydrophobicContact CE2-CG2 4.37Å; F526-V530 HydrophobicContact CZ-CG2 3.93Å; F526-V530 WeakPolarHBondContact O-CG2 3.31Å; F526-V530 PolarHBondContact O-N 3.47Å; E527-V530 PolarHBondContact O-N 3.41Å; V530-A532 VanDerWaalsContact C-N 3.28Å; V530-A532 PolarHBondContact O-N 3.25Å; V530-M533 PolarHBondContact O-N 2.84Å; V530-M533 VanDerWaalsContact O-N 3.08Å; V530-D534 WeakPolarHBondContact CG1-OD2 3.36Å; V530-D534 PolarHBondContact O-N 2.59Å
531	R	91.8	Very high	89.6	Confident	133 Å²	133	69.5 Å²	69.5	50%	0.502	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-30.4	176.1	-72.1	-175	-64.8	-160.7	1.7	113.3	E527 D528 R535	E527-R531 VanDerWaalsContact O-CB 3.28Å; E527-R531 WeakPolarHBondContact O-CB 3.15Å; E527-R531 WeakPolarHBondContact O-CG 3.26Å; E527-R531 PolarHBondContact O-N 2.93Å; E527-R531 PolarHBondContact O-NE 2.76Å; D528-R531 IonicContact OD1-CZ 2.61Å; D528-R531 IonicContact OD1-NE 3.43Å; D528-R531 IonicContact OD1-NH2 3.37Å; D528-R531 PolarHBondContact OD1-NH2 3.47Å; R531-R535 WeakPolarHBondContact O-CB 3.46Å; R531-R535 VanDerWaalsContact O-CG 3.3Å; R531-R535 WeakPolarHBondContact O-CG 3.07Å; R531-R535 PolarHBondContact O-N 3.37Å; R531-R535 PolarHBondContact O-NE 2.9Å
532	A	88.9	Confident	89	Confident	36 Å²	36	67.6 Å²	67.6	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-72.2	-38.6	172.5	0	0	0	0	0	111.9	D528 I529 V530 M536	D528-A532 VanDerWaalsContact O-CB 3.25Å; D528-A532 WeakPolarHBondContact O-CB 3.24Å; D528-A532 PolarHBondContact O-N 3.05Å; I529-A532 PolarHBondContact O-N 2.97Å; V530-A532 VanDerWaalsContact C-N 3.28Å; V530-A532 PolarHBondContact O-N 3.25Å; A532-M536 WeakPolarHBondContact O-CB 3.28Å; A532-M536 PolarHBondContact O-N 3.15Å
533	M	85.9	Confident	88.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.6	-43.8	176.2	-72.9	178.9	56.3	0	0	112.3	M192 R200 L203 I204 I529 V530 R535 M536 E537	M192-M533 HydrophobicContact CE-CE 4.46Å; M192-M533 HydrophobicContact SD-CE 4.02Å; R200-M533 HydrophobicContact CG-CE 3.81Å; L203-M533 HydrophobicContact CB-CE 4.29Å; L203-M533 HydrophobicContact CD2-CE 3.9Å; L203-M533 HydrophobicContact CD2-SD 4.18Å; L203-M533 HydrophobicContact CG-CE 4.33Å; L203-M533 HydrophobicContact CG-SD 4.3Å; I204-M533 HydrophobicContact CD1-CE 4.48Å; I204-M533 HydrophobicContact CD1-SD 4.48Å; I204-M533 HydrophobicContact CG1-CE 3.96Å; I204-M533 HydrophobicContact CG1-SD 3.54Å; I204-M533 VanDerWaalsContact CG1-SD 3.54Å; I529-M533 HydrophobicContact CG2-SD 4.1Å; I529-M533 WeakPolarHBondContact O-CG 3.45Å; I529-M533 PolarHBondContact O-N 2.95Å; V530-M533 PolarHBondContact O-N 2.84Å; V530-M533 VanDerWaalsContact O-N 3.08Å; M533-R535 VanDerWaalsContact C-N 3.32Å; M533-R535 PolarHBondContact O-N 2.86Å; M533-M536 PolarHBondContact O-N 2.76Å; M533-E537 WeakPolarHBondContact O-CG 3.33Å; M533-E537 PolarHBondContact O-N 3.1Å
534	D	86.7	Confident	88.1	Confident	41 Å²	41	62.6 Å²	62.6	22%	0.219	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-33.8	177.3	-73	-38.7	0	0	0	112.7	R200 V530 N538 K663	R200-D534 IonicContact CZ-OD1 2.77Å; R200-D534 VanDerWaalsContact CZ-OD1 3.3Å; R200-D534 IonicContact NH1-OD1 2.92Å; R200-D534 PolarHBondContact NH1-OD1 2.92Å; R200-D534 IonicContact NH2-OD1 3.91Å; R200-D534 PolarHBondContact NH2-OD1 3.33Å; R200-D534 IonicContact NH2-OD2 3.65Å; R200-D534 PolarHBondContact NH2-OD2 3.28Å; V530-D534 WeakPolarHBondContact CG1-OD2 3.36Å; V530-D534 PolarHBondContact O-N 2.59Å; D534-N538 VanDerWaalsContact O-CB 3.3Å; D534-N538 WeakPolarHBondContact O-CB 3.28Å; D534-N538 PolarHBondContact O-N 3.48Å; D534-K663 IonicContact OD1-NZ 3.56Å; D534-K663 PolarHBondContact OD1-NZ 2.89Å
535	R	87.3	Confident	87.7	Confident	154 Å²	154	57.7 Å²	57.7	58%	0.581	30%	0.296	S	S	*	.	H	α-helix	trans	-64	-49.2	169.8	-79.6	179.9	-71	179.8	0.8	111.2	R531 M533 E537 N538 D539	R531-R535 WeakPolarHBondContact O-CB 3.46Å; R531-R535 VanDerWaalsContact O-CG 3.3Å; R531-R535 WeakPolarHBondContact O-CG 3.07Å; R531-R535 PolarHBondContact O-N 3.37Å; R531-R535 PolarHBondContact O-NE 2.9Å; M533-R535 VanDerWaalsContact C-N 3.32Å; M533-R535 PolarHBondContact O-N 2.86Å; R535-E537 VanDerWaalsContact C-N 3.34Å; R535-E537 PolarHBondContact O-N 3.43Å; R535-N538 PolarHBondContact O-N 3.37Å; R535-N538 VanDerWaalsContact O-N 3.15Å; R535-D539 WeakPolarHBondContact O-CB 3.47Å; R535-D539 PolarHBondContact O-N 3.02Å
536	M	84.2	Confident	87.4	Confident	61 Å²	61	60 Å²	60	30%	0.3	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-39.2	178.2	-172.2	-175.8	74	0	0	112.7	M192 A532 M533 C540	M192-M536 HydrophobicContact CG-CE 3.76Å; M192-M536 HydrophobicContact SD-CE 3.84Å; A532-M536 WeakPolarHBondContact O-CB 3.28Å; A532-M536 PolarHBondContact O-N 3.15Å; M533-M536 PolarHBondContact O-N 2.76Å; M536-C540 WeakPolarHBondContact O-CB 3.25Å; M536-C540 PolarHBondContact O-N 2.97Å; M536-C540 VanDerWaalsContact O-N 3.07Å; M536-C540 PolarHBondContact O-SG 3.05Å
537	E	82.4	Confident	87.2	Confident	61 Å²	61	59.4 Å²	59.4	29%	0.285	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-45.5	172.5	-76.7	175.9	-177.5	0	0	111.9	R200 M533 R535 C540 L541 K663	R200-E537 IonicContact CZ-OE1 2.93Å; R200-E537 IonicContact NH1-OE1 3.72Å; R200-E537 PolarHBondContact NH1-OE1 2.78Å; R200-E537 IonicContact NH1-OE2 3.89Å; R200-E537 PolarHBondContact NH1-OE2 3.48Å; M533-E537 WeakPolarHBondContact O-CG 3.33Å; M533-E537 PolarHBondContact O-N 3.1Å; R535-E537 VanDerWaalsContact C-N 3.34Å; R535-E537 PolarHBondContact O-N 3.43Å; E537-C540 PolarHBondContact O-N 3.27Å; E537-L541 PolarHBondContact O-N 2.99Å; E537-K663 IonicContact OE2-NZ 2.91Å; E537-K663 PolarHBondContact OE2-NZ 2.74Å
538	N	83.5	Confident	86.7	Confident	61 Å²	61	60.4 Å²	60.4	33%	0.326	32%	0.316	S	S	.	.	H	α-helix	trans	-64.4	-41.6	178.2	179	97	0	0	0	112.1	D534 R535 C540 L541	D534-N538 VanDerWaalsContact O-CB 3.3Å; D534-N538 WeakPolarHBondContact O-CB 3.28Å; D534-N538 PolarHBondContact O-N 3.48Å; R535-N538 PolarHBondContact O-N 3.37Å; R535-N538 VanDerWaalsContact O-N 3.15Å; N538-C540 PolarHBondContact O-N 3.37Å; N538-L541 WeakPolarHBondContact O-CB 3.37Å; N538-L541 PolarHBondContact O-N 2.87Å; N538-L541 VanDerWaalsContact O-N 3.15Å
539	D	81.5	Confident	86.1	Confident	85 Å²	85	61 Å²	61	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-69.6	-23.8	178.1	-62.2	-17.8	0	0	0	111.6	R535 L541 Q573	R535-D539 WeakPolarHBondContact O-CB 3.47Å; R535-D539 PolarHBondContact O-N 3.02Å; D539-L541 VanDerWaalsContact C-N 3.31Å; D539-Q573 HydrophobicContact CB-CG 4.37Å; D539-Q573 WeakPolarHBondContact O-CB 3.37Å
540	C	81.2	Confident	85.4	Confident	35 Å²	35	64.7 Å²	64.7	24%	0.236	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.5	171.8	-76.7	0	0	0	0	114.6	M536 E537 N538 V574	M536-C540 WeakPolarHBondContact O-CB 3.25Å; M536-C540 PolarHBondContact O-N 2.97Å; M536-C540 VanDerWaalsContact O-N 3.07Å; M536-C540 PolarHBondContact O-SG 3.05Å; E537-C540 PolarHBondContact O-N 3.27Å; N538-C540 PolarHBondContact O-N 3.37Å; C540-V574 HydrophobicContact CB-CG1 4.31Å
541	L	81.6	Confident	84.9	Confident	85 Å²	85	63.7 Å²	63.7	45%	0.445	33%	0.331	S	S	.	.	S	Bend	trans	-73.7	132.6	174.5	-66.6	174.1	0	0	0	110.5	E537 N538 D539	E537-L541 PolarHBondContact O-N 2.99Å; N538-L541 WeakPolarHBondContact O-CB 3.37Å; N538-L541 PolarHBondContact O-N 2.87Å; N538-L541 VanDerWaalsContact O-N 3.15Å; D539-L541 VanDerWaalsContact C-N 3.31Å
542	P	83.9	Confident	84.4	Confident	35 Å²	35	61 Å²	61	23%	0.227	33%	0.329	C	S	.	.			trans	-65.9	135	173.6	29.7	-35.4	0	0	0	110	V574 C576 A639	P542-V574 HydrophobicContact CB-CG2 4.24Å; P542-C576 HydrophobicContact CB-CB 3.79Å; P542-A639 HydrophobicContact CB-CB 4.16Å; P542-A639 VanDerWaalsContact CG-O 3.31Å; P542-A639 WeakPolarHBondContact CG-O 3.34Å
543	S	84.3	Confident	83.9	Confident	50 Å²	50	59.9 Å²	59.9	35%	0.35	32%	0.318	S	S	.	.			trans	-140.7	138.9	-178.9	-174.4	0	0	0	0	110.3	N570 D571 G572	S543-N570 PolarHBondContact O-OD1 2.65Å; S543-N570 VanDerWaalsContact O-OD1 3.14Å; S543-D571 WeakPolarHBondContact CB-OD1 3.31Å; S543-D571 PolarHBondContact O-N 2.9Å; S543-D571 PolarHBondContact OG-OD1 3.35Å; S543-G572 PolarHBondContact O-N 2.86Å
544	V	87	Confident	83.6	Confident	37 Å²	37	67.5 Å²	67.5	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.3	176.8	-66.9	0	0	0	0	110.5	I568 K569 D571 C576 L637 A639	V544-I568 HydrophobicContact CB-CD1 4.34Å; V544-I568 HydrophobicContact CB-CG1 4.21Å; V544-I568 HydrophobicContact CG1-CD1 4.28Å; V544-I568 HydrophobicContact CG1-CG1 4.39Å; V544-K569 CarbonylContact C-O 3.52Å; V544-K569 WeakPolarHBondContact CA-O 3.32Å; V544-D571 PolarHBondContact N-OD1 2.88Å; V544-C576 VanDerWaalsContact CG1-SG 3.52Å; V544-L637 HydrophobicContact CG2-CD2 3.69Å; V544-L637 HydrophobicContact CG2-CG 4.39Å; V544-A639 HydrophobicContact CG1-CB 4.25Å; V544-A639 HydrophobicContact CG2-CB 4.04Å
545	S	88.5	Confident	83.1	Confident	45 Å²	45	72 Å²	72	32%	0.315	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.2	169.7	35.6	0	0	0	0	111.4	K569 D571	S545-K569 PolarHBondContact N-O 3.06Å; S545-K569 PolarHBondContact O-N 2.9Å; S545-D571 WeakPolarHBondContact CB-OD2 3.3Å; S545-D571 PolarHBondContact OG-OD2 2.81Å
546	L	89	Confident	82.6	Confident	58 Å²	58	66.1 Å²	66.1	30%	0.304	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133	177.9	-58	-170.9	0	0	0	109.9	R548 I549 F566 L567 I568 L637	L546-R548 PolarHBondContact O-N 3.38Å; L546-I549 HydrophobicContact CB-CG2 4.02Å; L546-I549 HydrophobicContact CD1-CG2 4.14Å; L546-F566 HydrophobicContact CB-CD2 4.4Å; L546-F566 HydrophobicContact CD1-CE2 4.06Å; L546-F566 HydrophobicContact CD2-CD2 4.23Å; L546-F566 HydrophobicContact CD2-CE2 3.72Å; L546-F566 HydrophobicContact CG-CE2 4.3Å; L546-L567 WeakPolarHBondContact CA-O 3.48Å; L546-I568 HydrophobicContact CD2-CB 3.74Å; L546-I568 HydrophobicContact CD2-CD1 4.24Å; L546-I568 HydrophobicContact CD2-CG1 3.7Å; L546-L637 HydrophobicContact CD1-CD2 4.07Å; L546-L637 HydrophobicContact CD2-CD2 3.75Å; L546-L637 HydrophobicContact CG-CD2 4.2Å
547	S	91.1	Very high	82.2	Confident	80 Å²	80	69.3 Å²	69.3	56%	0.559	37%	0.368	S	S	*	.	S	Bend	trans	-67.6	-21.1	176.9	70.9	0	0	0	0	113.3	L567	S547-L567 PolarHBondContact N-O 3.19Å; S547-L567 PolarHBondContact OG-N 2.77Å
548	R	83.7	Confident	82	Confident	96 Å²	96	70.5 Å²	70.5	36%	0.362	37%	0.373	S	S	.	.			trans	-155.8	141	179.8	-171.8	171.2	177.6	-169.6	-3.4	109.7	L546 D550 F551 E564 F566	L546-R548 PolarHBondContact O-N 3.38Å; R548-D550 WeakPolarHBondContact CG-O 3.28Å; R548-D550 PolarHBondContact NE-O 3.35Å; R548-F551 HydrophobicContact CB-CE1 4.2Å; R548-F551 HydrophobicContact CB-CZ 3.98Å; R548-F551 HydrophobicContact CG-CD1 4.42Å; R548-F551 HydrophobicContact CG-CE1 3.94Å; R548-F551 HydrophobicContact CG-CE2 4.46Å; R548-F551 HydrophobicContact CG-CZ 3.95Å; R548-E564 IonicContact CZ-OE2 3.51Å; R548-E564 IonicContact NH1-OE2 2.65Å; R548-E564 PolarHBondContact NH1-OE2 2.8Å; R548-E564 IonicContact NH2-OE2 3.7Å; R548-F566 HydrophobicContact CB-CB 4.12Å
549	I	81.4	Confident	81.8	Confident	90 Å²	90	76.1 Å²	76.1	46%	0.462	39%	0.389	S	S	.	.			trans	-121.2	-22	-179	59	176.8	0	0	0	113.4	L546	L546-I549 HydrophobicContact CB-CG2 4.02Å; L546-I549 HydrophobicContact CD1-CG2 4.14Å
550	D	79.4	Confident	81.7	Confident	87 Å²	87	76.4 Å²	76.4	47%	0.465	39%	0.388	S	S	.	.			trans	-116	125.2	-178	-59.9	-51.4	0	0	0	109.7	R548 R656	R548-D550 WeakPolarHBondContact CG-O 3.28Å; R548-D550 PolarHBondContact NE-O 3.35Å; D550-R656 IonicContact OD1-NH2 3.84Å; D550-R656 IonicContact OD2-NH2 3.08Å; D550-R656 PolarHBondContact OD2-NH2 2.98Å
551	F	80.2	Confident	81.9	Confident	7 Å²	7	78.8 Å²	78.8	3%	0.031	40%	0.398	C	S	.	.			trans	-123.8	147.4	-173.6	-59.4	-92.9	0	0	0	110.8	R548 F553 E564 F566 L613 A632	R548-F551 HydrophobicContact CB-CE1 4.2Å; R548-F551 HydrophobicContact CB-CZ 3.98Å; R548-F551 HydrophobicContact CG-CD1 4.42Å; R548-F551 HydrophobicContact CG-CE1 3.94Å; R548-F551 HydrophobicContact CG-CE2 4.46Å; R548-F551 HydrophobicContact CG-CZ 3.95Å; F551-F553 HydrophobicContact CB-CE2 4.23Å; F551-E564 HydrophobicContact CD1-CB 4.08Å; F551-F566 HydrophobicContact CE1-CB 3.98Å; F551-F566 AromaticContact CE1-CD1 3.87Å; F551-F566 HydrophobicContact CE1-CD1 3.87Å; F551-F566 HydrophobicContact CE1-CG 4.22Å; F551-F566 HydrophobicContact CE2-CD1 4.31Å; F551-F566 HydrophobicContact CZ-CB 3.75Å; F551-F566 AromaticContact CZ-CD1 3.38Å; F551-F566 HydrophobicContact CZ-CD1 3.38Å; F551-F566 HydrophobicContact CZ-CD2 4.49Å; F551-F566 HydrophobicContact CZ-CE1 4.06Å; F551-F566 AromaticContact CZ-CG 3.63Å; F551-F566 HydrophobicContact CZ-CG 3.63Å; F551-L613 HydrophobicContact CB-CD1 4.46Å; F551-L613 HydrophobicContact CD1-CD1 3.82Å; F551-L613 HydrophobicContact CD2-CD1 3.56Å; F551-L613 HydrophobicContact CE1-CD1 3.88Å; F551-L613 HydrophobicContact CE2-CD1 3.64Å; F551-L613 HydrophobicContact CG-CD1 3.67Å; F551-L613 HydrophobicContact CZ-CD1 3.8Å; F551-A632 HydrophobicContact CB-CB 4.2Å; F551-A632 HydrophobicContact CD2-CB 4.41Å
552	T	80	Confident	82	Confident	77 Å²	77	76.4 Å²	76.4	47%	0.472	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	108.5	-179	-52.8	0	0	0	0	109.5
553	F	80.1	Confident	82.2	Confident	12 Å²	12	80 Å²	80	5%	0.053	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.2	176.5	-65.1	-93.5	0	0	0	109.1	F551 V556 Q562 E564 L613 V615	F551-F553 HydrophobicContact CB-CE2 4.23Å; F553-V556 HydrophobicContact CB-CG2 3.67Å; F553-Q562 HydrophobicContact CD1-CB 3.95Å; F553-Q562 HydrophobicContact CE1-CB 4.4Å; F553-E564 HydrophobicContact CD1-CG 4Å; F553-E564 HydrophobicContact CE1-CB 3.86Å; F553-E564 HydrophobicContact CE1-CG 3.48Å; F553-E564 VanDerWaalsContact CE1-CG 3.48Å; F553-E564 HydrophobicContact CE2-CG 4.38Å; F553-E564 HydrophobicContact CZ-CB 3.75Å; F553-E564 HydrophobicContact CZ-CG 3.7Å; F553-L613 HydrophobicContact CZ-CB 4.05Å; F553-V615 HydrophobicContact CD1-CB 4.2Å; F553-V615 HydrophobicContact CD1-CG2 3.86Å; F553-V615 HydrophobicContact CD2-CG2 3.73Å; F553-V615 HydrophobicContact CE1-CB 4.26Å; F553-V615 HydrophobicContact CE1-CG2 3.76Å; F553-V615 HydrophobicContact CE2-CG2 3.65Å; F553-V615 HydrophobicContact CG-CB 4.46Å; F553-V615 HydrophobicContact CG-CG2 3.83Å; F553-V615 HydrophobicContact CZ-CG2 3.66Å
554	K	78.1	Confident	82.4	Confident	161 Å²	161	80.6 Å²	80.6	70%	0.7	39%	0.394	S	S	*	.			trans	-95	143.2	178.8	-65.9	-174.4	179.9	-178.1	0	110.3	V556 Q562	K554-V556 VanDerWaalsContact C-N 3.31Å; K554-V556 PolarHBondContact O-N 3.09Å; K554-Q562 PolarHBondContact O-NE2 3.19Å; K554-Q562 PolarHBondContact O-OE1 3.33Å
555	D	77.8	Confident	82.5	Confident	134 Å²	134	85.8 Å²	85.8	72%	0.717	41%	0.409	S	S	*	.	S	Bend	trans	51.6	45	170.8	-50.3	-49.6	0	0	0	114.1	K557 Q562	D555-K557 WeakPolarHBondContact O-CG 3.48Å; D555-K557 PolarHBondContact O-N 2.92Å; D555-K557 VanDerWaalsContact O-N 3.11Å; D555-Q562 PolarHBondContact O-NE2 2.73Å
556	V	76.3	Confident	82.6	Confident	32 Å²	32	84 Å²	84	19%	0.194	40%	0.396	C	S	.	.			trans	-60.6	111.8	178.9	-179.7	0	0	0	0	110	F553 K554 V615 T617	F553-V556 HydrophobicContact CB-CG2 3.67Å; K554-V556 VanDerWaalsContact C-N 3.31Å; K554-V556 PolarHBondContact O-N 3.09Å; V556-V615 HydrophobicContact CG1-CG1 3.67Å; V556-V615 HydrophobicContact CG2-CG1 4.23Å; V556-T617 HydrophobicContact CG1-CG2 4.11Å
557	K	75.6	Confident	82.8	Confident	127 Å²	127	84.4 Å²	84.4	55%	0.552	40%	0.398	S	S	*	.			trans	-100.7	151.2	-178.4	-48.2	-167.3	-173.4	172.9	0	112.1	D555 R559 Q560 T617	D555-K557 WeakPolarHBondContact O-CG 3.48Å; D555-K557 PolarHBondContact O-N 2.92Å; D555-K557 VanDerWaalsContact O-N 3.11Å; K557-R559 PolarHBondContact O-N 2.82Å; K557-Q560 HydrophobicContact CB-CB 4Å; K557-Q560 PolarHBondContact O-N 3.42Å; K557-Q560 VanDerWaalsContact O-N 3.15Å; K557-T617 PolarHBondContact O-OG1 3.02Å
558	F	78.2	Confident	82.8	Confident	86 Å²	86	80.7 Å²	80.7	38%	0.377	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	134.1	174.9	179.9	-108.5	0	0	0	111.8	Q560 T618 S619	F558-Q560 PolarHBondContact O-N 3.11Å; F558-Q560 VanDerWaalsContact O-N 3.07Å; F558-T618 VanDerWaalsContact CE2-C 3.47Å; F558-T618 VanDerWaalsContact CE2-O 3.28Å; F558-T618 WeakPolarHBondContact CE2-O 3.37Å; F558-S619 WeakPolarHBondContact CD2-O 3.41Å; F558-S619 VanDerWaalsContact CE2-C 3.42Å
559	R	78.3	Confident	83.1	Confident	180 Å²	180	80.1 Å²	80.1	68%	0.679	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	18.1	-175.9	-65.2	178.5	179.8	-169.1	-0.5	115.1	K557 Y616 T617	K557-R559 PolarHBondContact O-N 2.82Å; R559-Y616 HydrophobicContact CB-CE2 4.5Å; R559-T617 PolarHBondContact N-O 3.47Å
560	Q	80.9	Confident	83.6	Confident	90 Å²	90	75.9 Å²	75.9	42%	0.421	35%	0.35	S	S	.	.			trans	-105.5	118.9	172	-169.8	174.1	4.4	0	0	109.7	K557 F558 Q562	K557-Q560 HydrophobicContact CB-CB 4Å; K557-Q560 PolarHBondContact O-N 3.42Å; K557-Q560 VanDerWaalsContact O-N 3.15Å; F558-Q560 PolarHBondContact O-N 3.11Å; F558-Q560 VanDerWaalsContact O-N 3.07Å; Q560-Q562 PolarHBondContact O-N 2.75Å
561	L	83.8	Confident	84	Confident	85 Å²	85	75 Å²	75	45%	0.445	35%	0.346	S	S	.	.			trans	-73.6	123.4	172.3	-176.6	63.6	0	0	0	109.3	K563 E614 Y616	L561-K563 HydrophobicContact CG-CG 4.32Å; L561-E614 HydrophobicContact CD1-CB 4.08Å; L561-Y616 HydrophobicContact CB-CD2 4.28Å
562	Q	84.5	Confident	84.2	Confident	35 Å²	35	75.1 Å²	75.1	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.2	167	-64.6	-168	-2.9	0	0	109.5	F553 K554 D555 Q560 E614 V615	F553-Q562 HydrophobicContact CD1-CB 3.95Å; F553-Q562 HydrophobicContact CE1-CB 4.4Å; K554-Q562 PolarHBondContact O-NE2 3.19Å; K554-Q562 PolarHBondContact O-OE1 3.33Å; D555-Q562 PolarHBondContact O-NE2 2.73Å; Q560-Q562 PolarHBondContact O-N 2.75Å; Q562-E614 WeakPolarHBondContact O-CA 3.48Å; Q562-V615 PolarHBondContact N-O 2.9Å; Q562-V615 PolarHBondContact O-N 2.83Å
563	K	88.1	Confident	84.4	Confident	111 Å²	111	77.7 Å²	77.7	48%	0.483	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132	176.9	-54.8	-162.7	-171	-158.6	0	110.7	L561 Y612 L613 E614	L561-K563 HydrophobicContact CG-CG 4.32Å; K563-Y612 HydrophobicContact CD-CD1 4.32Å; K563-L613 WeakPolarHBondContact CA-O 3.19Å; K563-E614 HydrophobicContact CD-CG 4.23Å; K563-E614 WeakPolarHBondContact CE-OE1 3.12Å; K563-E614 HydrophobicContact CG-CG 4.27Å; K563-E614 IonicContact NZ-OE1 3.8Å; K563-E614 PolarHBondContact NZ-OE1 3.07Å
564	E	87.8	Confident	84.6	Confident	63 Å²	63	77.5 Å²	77.5	29%	0.294	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152.7	162.1	-74.6	-81	129.5	0	0	108	R548 F551 F553 L613	R548-E564 IonicContact CZ-OE2 3.51Å; R548-E564 IonicContact NH1-OE2 2.65Å; R548-E564 PolarHBondContact NH1-OE2 2.8Å; R548-E564 IonicContact NH2-OE2 3.7Å; F551-E564 HydrophobicContact CD1-CB 4.08Å; F553-E564 HydrophobicContact CD1-CG 4Å; F553-E564 HydrophobicContact CE1-CB 3.86Å; F553-E564 HydrophobicContact CE1-CG 3.48Å; F553-E564 VanDerWaalsContact CE1-CG 3.48Å; F553-E564 HydrophobicContact CE2-CG 4.38Å; F553-E564 HydrophobicContact CZ-CB 3.75Å; F553-E564 HydrophobicContact CZ-CG 3.7Å; E564-L613 PolarHBondContact N-O 2.85Å; E564-L613 PolarHBondContact O-N 3.3Å
565	R	90.1	Very high	85	Confident	145 Å²	145	72 Å²	72	55%	0.547	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.9	176.4	68.9	178	174.4	97.5	10.3	112	E610 I611 Y612	R565-E610 IonicContact CZ-OE1 3Å; R565-E610 IonicContact NE-OE1 2.67Å; R565-E610 IonicContact NH1-OE1 3.57Å; R565-E610 PolarHBondContact NH1-OE1 2.9Å; R565-I611 WeakPolarHBondContact CA-O 3.48Å; R565-Y612 HydrophobicContact CB-CD1 4.17Å; R565-Y612 HydrophobicContact CB-CE1 4.08Å
566	F	90.6	Very high	85.3	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.039	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.5	167.4	70.7	-80.5	0	0	0	110.6	L546 R548 F551 F580 I611 L613	L546-F566 HydrophobicContact CB-CD2 4.4Å; L546-F566 HydrophobicContact CD1-CE2 4.06Å; L546-F566 HydrophobicContact CD2-CD2 4.23Å; L546-F566 HydrophobicContact CD2-CE2 3.72Å; L546-F566 HydrophobicContact CG-CE2 4.3Å; R548-F566 HydrophobicContact CB-CB 4.12Å; F551-F566 HydrophobicContact CE1-CB 3.98Å; F551-F566 AromaticContact CE1-CD1 3.87Å; F551-F566 HydrophobicContact CE1-CD1 3.87Å; F551-F566 HydrophobicContact CE1-CG 4.22Å; F551-F566 HydrophobicContact CE2-CD1 4.31Å; F551-F566 HydrophobicContact CZ-CB 3.75Å; F551-F566 AromaticContact CZ-CD1 3.38Å; F551-F566 HydrophobicContact CZ-CD1 3.38Å; F551-F566 HydrophobicContact CZ-CD2 4.49Å; F551-F566 HydrophobicContact CZ-CE1 4.06Å; F551-F566 AromaticContact CZ-CG 3.63Å; F551-F566 HydrophobicContact CZ-CG 3.63Å; F566-F580 HydrophobicContact CE1-CZ 4.23Å; F566-F580 AromaticContact CZ-CZ 3.75Å; F566-F580 HydrophobicContact CZ-CZ 3.75Å; F566-I611 HydrophobicContact CD1-CB 4.1Å; F566-I611 HydrophobicContact CE1-CB 3.61Å; F566-I611 HydrophobicContact CE1-CG1 4.4Å; F566-I611 HydrophobicContact CE1-CG2 3.67Å; F566-I611 HydrophobicContact CE2-CB 4.24Å; F566-I611 HydrophobicContact CE2-CG1 4.21Å; F566-I611 HydrophobicContact CZ-CB 3.7Å; F566-I611 HydrophobicContact CZ-CG1 3.98Å; F566-I611 HydrophobicContact CZ-CG2 3.87Å; F566-I611 PolarHBondContact N-O 3.48Å; F566-I611 PolarHBondContact O-N 3.01Å; F566-L613 HydrophobicContact CD1-CD1 4.33Å; F566-L613 HydrophobicContact CD1-CG 4.21Å; F566-L613 HydrophobicContact CE1-CD1 4.12Å; F566-L613 HydrophobicContact CE1-CD2 4.08Å; F566-L613 HydrophobicContact CE1-CG 3.87Å
567	L	92.7	Very high	85.8	Confident	65 Å²	65	66.8 Å²	66.8	34%	0.34	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.9	176.3	-60.2	165	0	0	0	109.1	L546 S547 T608 L609 E610	L546-L567 WeakPolarHBondContact CA-O 3.48Å; S547-L567 PolarHBondContact N-O 3.19Å; S547-L567 PolarHBondContact OG-N 2.77Å; L567-T608 HydrophobicContact CB-CG2 3.86Å; L567-T608 HydrophobicContact CD1-CG2 4.41Å; L567-T608 HydrophobicContact CD2-CG2 3.84Å; L567-T608 HydrophobicContact CG-CG2 4.25Å; L567-L609 WeakPolarHBondContact CA-O 3.35Å; L567-E610 HydrophobicContact CD2-CG 3.49Å; L567-E610 VanDerWaalsContact CD2-CG 3.49Å
568	I	91.4	Very high	86.4	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.6	157.6	-177.7	172.8	0	0	0	107.9	V544 L546 F578 L603 T608 L609 I611 L637	V544-I568 HydrophobicContact CB-CD1 4.34Å; V544-I568 HydrophobicContact CB-CG1 4.21Å; V544-I568 HydrophobicContact CG1-CD1 4.28Å; V544-I568 HydrophobicContact CG1-CG1 4.39Å; L546-I568 HydrophobicContact CD2-CB 3.74Å; L546-I568 HydrophobicContact CD2-CD1 4.24Å; L546-I568 HydrophobicContact CD2-CG1 3.7Å; I568-F578 HydrophobicContact CD1-CB 3.67Å; I568-F578 HydrophobicContact CD1-CD1 3.95Å; I568-F578 HydrophobicContact CD1-CD2 3.79Å; I568-F578 HydrophobicContact CD1-CE2 4.44Å; I568-F578 HydrophobicContact CD1-CG 3.52Å; I568-L603 HydrophobicContact CD1-CD1 3.95Å; I568-L603 HydrophobicContact CG1-CD1 3.83Å; I568-L603 HydrophobicContact CG2-CD1 4.09Å; I568-T608 CarbonylContact O-C 3.58Å; I568-T608 WeakPolarHBondContact O-CA 3.48Å; I568-T608 WeakPolarHBondContact O-CG2 3.44Å; I568-L609 HydrophobicContact CG2-CB 3.89Å; I568-L609 WeakPolarHBondContact CG2-O 3.4Å; I568-L609 PolarHBondContact N-O 3.38Å; I568-L609 PolarHBondContact O-N 2.99Å; I568-I611 HydrophobicContact CB-CG1 4.35Å; I568-I611 HydrophobicContact CG2-CD1 3.84Å; I568-I611 HydrophobicContact CG2-CG1 3.72Å; I568-L637 HydrophobicContact CD1-CD1 4.22Å; I568-L637 HydrophobicContact CD1-CD2 3.77Å
569	K	90.7	Very high	86.8	Confident	85 Å²	85	57.4 Å²	57.4	37%	0.37	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.8	175.8	177.1	172.1	-177.8	179.1	0	110	V544 S545 D571 E607 T608	V544-K569 CarbonylContact C-O 3.52Å; V544-K569 WeakPolarHBondContact CA-O 3.32Å; S545-K569 PolarHBondContact N-O 3.06Å; S545-K569 PolarHBondContact O-N 2.9Å; K569-D571 PolarHBondContact O-N 3.36Å; K569-E607 WeakPolarHBondContact CA-O 3.34Å; K569-T608 HydrophobicContact CB-CG2 4.22Å; K569-T608 WeakPolarHBondContact CG-OG1 3.36Å
570	N	91	Very high	87.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	110.4	163.6	-178.3	-7.9	0	0	0	108.8	S543 G572 V574 C576 L603 E604 S606 E607	S543-N570 PolarHBondContact O-OD1 2.65Å; S543-N570 VanDerWaalsContact O-OD1 3.14Å; N570-G572 WeakPolarHBondContact OD1-CA 3.16Å; N570-G572 PolarHBondContact OD1-N 2.97Å; N570-V574 PolarHBondContact ND2-O 3.2Å; N570-C576 PolarHBondContact ND2-SG 2.67Å; N570-L603 HydrophobicContact CB-CB 3.77Å; N570-L603 HydrophobicContact CB-CD1 4.4Å; N570-L603 PolarHBondContact ND2-O 3.45Å; N570-E604 WeakPolarHBondContact CB-O 3.49Å; N570-E604 PolarHBondContact ND2-O 2.87Å; N570-S606 WeakPolarHBondContact O-CA 3.44Å; N570-S606 PolarHBondContact O-N 3.46Å; N570-E607 PolarHBondContact N-O 3.37Å
571	D	87.3	Confident	87.1	Confident	70 Å²	70	48.3 Å²	48.3	37%	0.374	23%	0.233	S	C	.	.			trans	-105.7	6.2	175.8	59.6	10.9	0	0	0	113.2	S543 V544 S545 K569	S543-D571 WeakPolarHBondContact CB-OD1 3.31Å; S543-D571 PolarHBondContact O-N 2.9Å; S543-D571 PolarHBondContact OG-OD1 3.35Å; V544-D571 PolarHBondContact N-OD1 2.88Å; S545-D571 WeakPolarHBondContact CB-OD2 3.3Å; S545-D571 PolarHBondContact OG-OD2 2.81Å; K569-D571 PolarHBondContact O-N 3.36Å
572	G	85.6	Confident	86.9	Confident	9 Å²	9	47 Å²	47	9%	0.093	23%	0.23	C	C	.	.	S	Bend	trans	-81.6	-178.5	169.6	0	0	0	0	0	113.7	S543 N570	S543-G572 PolarHBondContact O-N 2.86Å; N570-G572 WeakPolarHBondContact OD1-CA 3.16Å; N570-G572 PolarHBondContact OD1-N 2.97Å
573	Q	83.9	Confident	86.5	Confident	130 Å²	130	48.7 Å²	48.7	61%	0.607	24%	0.237	S	C	*	.	S	Bend	trans	-104.6	9.8	177.2	-51.1	-64.4	-51.8	0	0	112.8	D539	D539-Q573 HydrophobicContact CB-CG 4.37Å; D539-Q573 WeakPolarHBondContact O-CB 3.37Å
574	V	84.9	Confident	85.7	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	24%	0.242	C	C	.	.	S	Bend	trans	-128.1	148	-179.2	-70.5	0	0	0	0	110.5	C540 P542 N570 C576	C540-V574 HydrophobicContact CB-CG1 4.31Å; P542-V574 HydrophobicContact CB-CG2 4.24Å; N570-V574 PolarHBondContact ND2-O 3.2Å; V574-C576 PolarHBondContact O-N 3.19Å
575	P	85.4	Confident	85.3	Confident	47 Å²	47	52.6 Å²	52.6	31%	0.305	27%	0.27	S	S	.	.			trans	-58.5	132	166	-17.5	29.6	0	0	0	109.5	L603 E604	P575-L603 WeakPolarHBondContact CA-O 3.41Å; P575-E604 WeakPolarHBondContact CG-OE2 3.43Å
576	C	85.3	Confident	84.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.9	179.4	66.5	0	0	0	0	111.2	P542 V544 N570 V574 F602 L603 A640	P542-C576 HydrophobicContact CB-CB 3.79Å; V544-C576 VanDerWaalsContact CG1-SG 3.52Å; N570-C576 PolarHBondContact ND2-SG 2.67Å; V574-C576 PolarHBondContact O-N 3.19Å; C576-F602 WeakPolarHBondContact O-CA 3.46Å; C576-L603 PolarHBondContact N-O 3.34Å; C576-L603 PolarHBondContact O-N 3.41Å; C576-A640 WeakPolarHBondContact CA-O 3.24Å
577	H	86.9	Confident	84.1	Confident	55 Å²	55	53.3 Å²	53.3	26%	0.255	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.2	161.5	-177	-102.4	0	0	0	108.5	G601 F602 A639 A640	H577-G601 CarbonylContact C-O 3.59Å; H577-G601 WeakPolarHBondContact CA-O 3.47Å; H577-G601 PolarHBondContact CD2-O 3.35Å; H577-G601 VanDerWaalsContact CD2-O 3.25Å; H577-F602 HydrophobicContact CB-CD1 4.02Å; H577-F602 HydrophobicContact CB-CE1 3.69Å; H577-F602 HydrophobicContact CB-CZ 4.01Å; H577-F602 AromaticContact CD2-CD2 3.75Å; H577-F602 AromaticContact CD2-CE2 3.43Å; H577-F602 VanDerWaalsContact CD2-CE2 3.43Å; H577-F602 WeakPolarHBondContact CD2-CE2 3.32Å; H577-F602 AromaticContact CD2-CZ 3.61Å; H577-A639 WeakPolarHBondContact O-CA 3.38Å; H577-A640 PolarHBondContact N-O 3.13Å; H577-A640 PolarHBondContact O-N 3.38Å
578	F	87.7	Confident	83.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.2	169.3	78.6	-90.9	0	0	0	110.4	I568 P598 D600 G601 L603 L609 I611 L637 C638	I568-F578 HydrophobicContact CD1-CB 3.67Å; I568-F578 HydrophobicContact CD1-CD1 3.95Å; I568-F578 HydrophobicContact CD1-CD2 3.79Å; I568-F578 HydrophobicContact CD1-CE2 4.44Å; I568-F578 HydrophobicContact CD1-CG 3.52Å; F578-P598 HydrophobicContact CZ-CG 4.34Å; F578-D600 CarbonylContact O-C 3.58Å; F578-D600 WeakPolarHBondContact O-CA 3.42Å; F578-D600 WeakPolarHBondContact O-CB 3.32Å; F578-G601 VanDerWaalsContact CD1-O 3.27Å; F578-G601 WeakPolarHBondContact CD1-O 3.47Å; F578-G601 PolarHBondContact N-O 3.21Å; F578-G601 PolarHBondContact O-N 3.28Å; F578-L603 HydrophobicContact CD1-CD1 3.77Å; F578-L603 HydrophobicContact CD1-CG 3.84Å; F578-L603 HydrophobicContact CE1-CD1 4.17Å; F578-L603 HydrophobicContact CE1-CD2 4.39Å; F578-L603 HydrophobicContact CE1-CG 4.02Å; F578-L609 HydrophobicContact CE1-CD2 3.67Å; F578-L609 HydrophobicContact CZ-CD2 3.63Å; F578-I611 HydrophobicContact CE2-CD1 3.92Å; F578-I611 HydrophobicContact CZ-CD1 3.85Å; F578-L637 HydrophobicContact CB-CD1 4.02Å; F578-L637 HydrophobicContact CD2-CD1 3.95Å; F578-L637 HydrophobicContact CG-CD1 4.44Å; F578-C638 CarbonylContact C-O 3.55Å; F578-C638 VanDerWaalsContact CA-O 3.26Å; F578-C638 WeakPolarHBondContact CA-O 3.43Å
579	A	85.3	Confident	82.8	Confident	17 Å²	17	57.4 Å²	57.4	14%	0.14	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	142	169.5	0	0	0	0	0	111.4	I581 D600 L637 C638	A579-I581 HydrophobicContact CB-CG2 4.24Å; A579-D600 HydrophobicContact CB-CB 3.93Å; A579-L637 WeakPolarHBondContact O-CA 3.4Å; A579-C638 PolarHBondContact N-O 3.41Å; A579-C638 VanDerWaalsContact N-O 3.08Å; A579-C638 PolarHBondContact O-N 3.47Å
580	F	85.1	Confident	82.3	Confident	17 Å²	17	54.6 Å²	54.6	8%	0.075	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	116.4	164.3	-70.9	-106.3	0	0	0	109.1	F566 Y589 A596 S599 I611 L613 W635	F566-F580 HydrophobicContact CE1-CZ 4.23Å; F566-F580 AromaticContact CZ-CZ 3.75Å; F566-F580 HydrophobicContact CZ-CZ 3.75Å; F580-Y589 HydrophobicContact CB-CD2 3.44Å; F580-Y589 VanDerWaalsContact CB-CD2 3.44Å; F580-Y589 HydrophobicContact CB-CE2 3.99Å; F580-Y589 HydrophobicContact CB-CG 4.02Å; F580-Y589 HydrophobicContact CD1-CD2 4.43Å; F580-Y589 HydrophobicContact CG-CD2 4.21Å; F580-Y589 HydrophobicContact CG-CE2 4.45Å; F580-Y589 WeakPolarHBondContact O-CB 3.48Å; F580-A596 HydrophobicContact CD1-CB 4.34Å; F580-A596 HydrophobicContact CD2-CB 4.02Å; F580-A596 HydrophobicContact CE1-CB 3.98Å; F580-A596 HydrophobicContact CE2-CB 3.63Å; F580-A596 HydrophobicContact CG-CB 4.32Å; F580-A596 HydrophobicContact CZ-CB 3.56Å; F580-S599 WeakPolarHBondContact CD2-O 3.39Å; F580-S599 PolarHBondContact N-O 2.97Å; F580-I611 HydrophobicContact CE2-CG2 3.95Å; F580-I611 HydrophobicContact CZ-CG2 3.94Å; F580-L613 HydrophobicContact CZ-CD2 4.45Å; F580-W635 HydrophobicContact CD1-CB 4.05Å; F580-W635 AromaticContact CD1-CD2 3.71Å; F580-W635 HydrophobicContact CD1-CD2 3.71Å; F580-W635 AromaticContact CD1-CE3 3.49Å; F580-W635 HydrophobicContact CD1-CE3 3.49Å; F580-W635 VanDerWaalsContact CD1-CE3 3.49Å; F580-W635 HydrophobicContact CD1-CG 4.01Å; F580-W635 HydrophobicContact CD1-CZ3 4.01Å; F580-W635 HydrophobicContact CE1-CB 4.26Å; F580-W635 AromaticContact CE1-CD2 3.74Å; F580-W635 HydrophobicContact CE1-CD2 3.74Å; F580-W635 AromaticContact CE1-CE3 3.95Å; F580-W635 HydrophobicContact CE1-CE3 3.95Å; F580-W635 AromaticContact CE1-CG 3.94Å; F580-W635 HydrophobicContact CE1-CG 3.94Å; F580-W635 HydrophobicContact CE1-CZ3 4.4Å
581	I	80.8	Confident	81.9	Confident	61 Å²	61	59.2 Å²	59.2	31%	0.313	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	152.1	-174.7	68.2	172.5	0	0	0	112.7	A579 R636 C638	A579-I581 HydrophobicContact CB-CG2 4.24Å; I581-R636 HydrophobicContact CD1-CB 4.09Å; I581-R636 HydrophobicContact CG1-CB 3.54Å; I581-R636 PolarHBondContact N-O 2.66Å; I581-C638 HydrophobicContact CD1-CB 4.26Å; I581-C638 HydrophobicContact CG2-CB 4.12Å
582	P	78.9	Confident	81.6	Confident	58 Å²	58	62 Å²	62	38%	0.377	34%	0.343	S	S	.	.			trans	-57.8	152.1	171.9	-21.2	32.2	0	0	0	113.3	D586	P582-D586 VanDerWaalsContact CB-O 3.25Å; P582-D586 WeakPolarHBondContact CB-O 3.38Å
583	K	77.8	Confident	81.4	Confident	70 Å²	70	66 Å²	66	30%	0.304	36%	0.355	S	S	.	.			trans	-71.2	154.6	165.8	-63.3	-174.6	179.1	-170	0	108.8	N585 D586 H634	K583-N585 PolarHBondContact O-N 3.33Å; K583-D586 HydrophobicContact CB-CB 4.26Å; K583-D586 PolarHBondContact O-N 3.23Å; K583-H634 WeakPolarHBondContact CE-O 3.47Å; K583-H634 PolarHBondContact NZ-O 3.22Å
584	P	71.6	Confident	81.3	Confident	92 Å²	92	60 Å²	60	60%	0.597	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-20	-173.7	-29.6	36.4	0	0	0	116.8
585	N	77.4	Confident	81.3	Confident	164 Å²	164	65 Å²	65	88%	0.877	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-0	-179.4	-57.5	-7.2	0	0	0	113.4	K583	K583-N585 PolarHBondContact O-N 3.33Å
586	D	78.1	Confident	81.4	Confident	58 Å²	58	62.8 Å²	62.8	31%	0.31	33%	0.331	S	S	.	.			trans	-102.5	139.5	176.2	-80.7	-67.4	0	0	0	109.1	P582 K583 N588 K591	P582-D586 VanDerWaalsContact CB-O 3.25Å; P582-D586 WeakPolarHBondContact CB-O 3.38Å; K583-D586 HydrophobicContact CB-CB 4.26Å; K583-D586 PolarHBondContact O-N 3.23Å; D586-N588 VanDerWaalsContact C-N 3.31Å; D586-N588 PolarHBondContact O-N 3.38Å; D586-K591 IonicContact OD1-NZ 3.94Å; D586-K591 PolarHBondContact OD1-NZ 3.27Å
587	P	79.2	Confident	81.6	Confident	112 Å²	112	66.4 Å²	66.4	73%	0.727	35%	0.348	S	S	*	.	S	Bend	trans	-76.7	-17.7	176.9	30.8	-35.4	0	0	0	113.4
588	N	78.4	Confident	81.8	Confident	98 Å²	98	66.1 Å²	66.1	52%	0.524	35%	0.351	S	S	.	.	S	Bend	trans	-126.9	153.7	-175.6	-68.6	-49.7	0	0	0	110.8	D586 C590	D586-N588 VanDerWaalsContact C-N 3.31Å; D586-N588 PolarHBondContact O-N 3.38Å; N588-C590 VanDerWaalsContact C-N 3.28Å; N588-C590 WeakPolarHBondContact CB-O 3.11Å; N588-C590 PolarHBondContact O-N 3.28Å
589	Y	78.1	Confident	81.7	Confident	55 Å²	55	67.8 Å²	67.8	22%	0.216	36%	0.363	C	S	.	.	S	Bend	trans	-73.3	-19.9	177	75.9	-87.6	0	0	0	113.3	F580 A596 W635	F580-Y589 HydrophobicContact CB-CD2 3.44Å; F580-Y589 VanDerWaalsContact CB-CD2 3.44Å; F580-Y589 HydrophobicContact CB-CE2 3.99Å; F580-Y589 HydrophobicContact CB-CG 4.02Å; F580-Y589 HydrophobicContact CD1-CD2 4.43Å; F580-Y589 HydrophobicContact CG-CD2 4.21Å; F580-Y589 HydrophobicContact CG-CE2 4.45Å; F580-Y589 WeakPolarHBondContact O-CB 3.48Å; Y589-A596 HydrophobicContact CE2-CB 4.08Å; Y589-A596 PolarHBondContact OH-N 3.37Å; Y589-W635 HydrophobicContact CD2-CE3 4.08Å; Y589-W635 HydrophobicContact CD2-CH2 4.43Å; Y589-W635 AromaticContact CD2-CZ3 3.47Å; Y589-W635 HydrophobicContact CD2-CZ3 3.47Å; Y589-W635 VanDerWaalsContact CD2-CZ3 3.47Å; Y589-W635 HydrophobicContact CE2-CH2 4.3Å; Y589-W635 AromaticContact CE2-CZ3 3.76Å; Y589-W635 HydrophobicContact CE2-CZ3 3.76Å; Y589-W635 WeakPolarHBondContact O-CZ3 3.5Å
590	C	80.4	Confident	81.8	Confident	25 Å²	25	70.9 Å²	70.9	17%	0.169	38%	0.377	C	S	.	.	S	Bend	trans	-133.8	172.4	176.6	54.1	0	0	0	0	112.5	N588 L594 W635	N588-C590 VanDerWaalsContact C-N 3.28Å; N588-C590 WeakPolarHBondContact CB-O 3.11Å; N588-C590 PolarHBondContact O-N 3.28Å; C590-L594 VanDerWaalsContact CB-O 3.22Å; C590-L594 WeakPolarHBondContact CB-O 3.45Å; C590-L594 PolarHBondContact SG-O 2.87Å; C590-W635 HydrophobicContact CB-CH2 3.81Å; C590-W635 HydrophobicContact CB-CZ3 3.66Å
591	K	82.2	Confident	81.9	Confident	97 Å²	97	71 Å²	71	42%	0.422	38%	0.382	S	S	.	.			trans	-85.3	153.8	161.8	-60.3	-54.7	-175.4	-165.9	0	109.7	D586 W593 L594	D586-K591 IonicContact OD1-NZ 3.94Å; D586-K591 PolarHBondContact OD1-NZ 3.27Å; K591-W593 HydrophobicContact CB-CZ2 4.21Å; K591-W593 HydrophobicContact CG-CZ2 4.44Å; K591-W593 PolarHBondContact O-N 3.15Å; K591-L594 PolarHBondContact O-N 2.91Å; K591-L594 VanDerWaalsContact O-O 3.07Å
592	P	81.5	Confident	82.4	Confident	130 Å²	130	74.4 Å²	74.4	84%	0.844	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.1	-170	-26.7	35.6	0	0	0	117
593	W	80.7	Confident	82.8	Confident	91 Å²	91	71.7 Å²	71.7	35%	0.345	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.6	178.2	53.4	-100.4	0	0	0	113.9	K591 V615 Y616 T617 A630	K591-W593 HydrophobicContact CB-CZ2 4.21Å; K591-W593 HydrophobicContact CG-CZ2 4.44Å; K591-W593 PolarHBondContact O-N 3.15Å; W593-V615 HydrophobicContact CE3-CG1 4.25Å; W593-V615 HydrophobicContact CE3-CG2 4.46Å; W593-V615 HydrophobicContact CZ3-CG2 4.37Å; W593-V615 WeakPolarHBondContact O-CA 3.36Å; W593-Y616 VanDerWaalsContact CA-O 3.32Å; W593-Y616 WeakPolarHBondContact CA-O 3.26Å; W593-Y616 WeakPolarHBondContact CB-O 3.42Å; W593-Y616 PolarHBondContact O-N 3.5Å; W593-T617 HydrophobicContact CB-CG2 4.2Å; W593-A630 HydrophobicContact CH2-CB 4.2Å; W593-A630 HydrophobicContact CZ3-CB 4.22Å
594	L	82.1	Confident	83.4	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	131.1	-177	178	63.7	0	0	0	109.8	C590 K591 E614 V615 P633 W635	C590-L594 VanDerWaalsContact CB-O 3.22Å; C590-L594 WeakPolarHBondContact CB-O 3.45Å; C590-L594 PolarHBondContact SG-O 2.87Å; K591-L594 PolarHBondContact O-N 2.91Å; K591-L594 VanDerWaalsContact O-O 3.07Å; L594-E614 CarbonylContact C-O 3.55Å; L594-E614 VanDerWaalsContact CA-O 3.31Å; L594-E614 WeakPolarHBondContact CA-O 3.16Å; L594-V615 HydrophobicContact CD1-CG2 3.68Å; L594-P633 HydrophobicContact CD2-CG 4.4Å; L594-W635 HydrophobicContact CD1-CZ2 4.31Å; L594-W635 HydrophobicContact CD2-CH2 3.69Å; L594-W635 HydrophobicContact CD2-CZ2 3.49Å; L594-W635 VanDerWaalsContact CD2-CZ2 3.49Å; L594-W635 HydrophobicContact CG-CH2 3.8Å; L594-W635 HydrophobicContact CG-CZ2 3.85Å
595	R	85	Confident	84.3	Confident	114 Å²	114	71.7 Å²	71.7	43%	0.43	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.4	179.2	-176.9	171.4	173	-112.2	-6.6	110.3	E597 L613 E614	R595-E597 IonicContact CZ-OE1 3.9Å; R595-E597 IonicContact CZ-OE2 2.72Å; R595-E597 VanDerWaalsContact NH1-CD 3.32Å; R595-E597 IonicContact NH1-OE1 3.69Å; R595-E597 IonicContact NH1-OE2 2.68Å; R595-E597 PolarHBondContact NH1-OE2 3.25Å; R595-E597 IonicContact NH2-OE1 3.72Å; R595-E597 PolarHBondContact NH2-OE1 3Å; R595-E597 IonicContact NH2-OE2 3.24Å; R595-E597 PolarHBondContact NH2-OE2 3.3Å; R595-L613 WeakPolarHBondContact O-CA 3.49Å; R595-E614 HydrophobicContact CB-CB 4.39Å; R595-E614 PolarHBondContact N-O 3.33Å; R595-E614 IonicContact NH1-OE2 3Å; R595-E614 PolarHBondContact NH1-OE2 3.11Å; R595-E614 PolarHBondContact O-N 3.11Å
596	A	87.1	Confident	85.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.1	166.9	0	0	0	0	0	108.6	F580 Y589 P598 S599 I611 Y612 L613	F580-A596 HydrophobicContact CD1-CB 4.34Å; F580-A596 HydrophobicContact CD2-CB 4.02Å; F580-A596 HydrophobicContact CE1-CB 3.98Å; F580-A596 HydrophobicContact CE2-CB 3.63Å; F580-A596 HydrophobicContact CG-CB 4.32Å; F580-A596 HydrophobicContact CZ-CB 3.56Å; Y589-A596 HydrophobicContact CE2-CB 4.08Å; Y589-A596 PolarHBondContact OH-N 3.37Å; A596-P598 CarbonylContact O-C 3.55Å; A596-S599 PolarHBondContact O-N 3.04Å; A596-I611 HydrophobicContact CB-CG2 4.25Å; A596-Y612 CarbonylContact C-O 3.57Å; A596-Y612 WeakPolarHBondContact CA-O 3.44Å; A596-L613 HydrophobicContact CB-CD2 3.87Å
597	E	88.9	Confident	85.8	Confident	77 Å²	77	69.3 Å²	69.3	36%	0.36	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	116.9	177.7	-175.4	150.7	-135.4	0	0	110.8	R595 Y612	R595-E597 IonicContact CZ-OE1 3.9Å; R595-E597 IonicContact CZ-OE2 2.72Å; R595-E597 VanDerWaalsContact NH1-CD 3.32Å; R595-E597 IonicContact NH1-OE1 3.69Å; R595-E597 IonicContact NH1-OE2 2.68Å; R595-E597 PolarHBondContact NH1-OE2 3.25Å; R595-E597 IonicContact NH2-OE1 3.72Å; R595-E597 PolarHBondContact NH2-OE1 3Å; R595-E597 IonicContact NH2-OE2 3.24Å; R595-E597 PolarHBondContact NH2-OE2 3.3Å; E597-Y612 PolarHBondContact N-O 2.99Å; E597-Y612 PolarHBondContact O-N 3.45Å
598	P	92.2	Very high	86.5	Confident	48 Å²	48	67 Å²	67	31%	0.312	35%	0.35	S	S	.	.	S	Bend	cis	-67.6	154.5	-10.9	28.4	-33.6	0	0	0	113.4	F578 A596 L609 I611	F578-P598 HydrophobicContact CZ-CG 4.34Å; A596-P598 CarbonylContact O-C 3.55Å; P598-L609 HydrophobicContact CG-CD2 3.86Å; P598-I611 HydrophobicContact CG-CD1 3.76Å
599	S	84.5	Confident	87.3	Confident	36 Å²	36	65 Å²	65	25%	0.252	34%	0.339	S	S	.	.	S	Bend	trans	-86.9	-12	177.7	47.4	0	0	0	0	114.4	F580 A596	F580-S599 WeakPolarHBondContact CD2-O 3.39Å; F580-S599 PolarHBondContact N-O 2.97Å; A596-S599 PolarHBondContact O-N 3.04Å
600	D	88.7	Confident	88.1	Confident	82 Å²	82	65.5 Å²	65.5	44%	0.439	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	163.8	-174	55.7	-71	0	0	0	109.1	F578 A579	F578-D600 CarbonylContact O-C 3.58Å; F578-D600 WeakPolarHBondContact O-CA 3.42Å; F578-D600 WeakPolarHBondContact O-CB 3.32Å; A579-D600 HydrophobicContact CB-CB 3.93Å
601	G	86.8	Confident	88.6	Confident	18 Å²	18	64.3 Å²	64.3	19%	0.186	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	176.2	178.9	0	0	0	0	0	113.1	H577 F578	H577-G601 CarbonylContact C-O 3.59Å; H577-G601 WeakPolarHBondContact CA-O 3.47Å; H577-G601 PolarHBondContact CD2-O 3.35Å; H577-G601 VanDerWaalsContact CD2-O 3.25Å; F578-G601 VanDerWaalsContact CD1-O 3.27Å; F578-G601 WeakPolarHBondContact CD1-O 3.47Å; F578-G601 PolarHBondContact N-O 3.21Å; F578-G601 PolarHBondContact O-N 3.28Å
602	F	90.1	Very high	89	Confident	134 Å²	134	63.8 Å²	63.8	59%	0.588	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.9	171.3	-75.4	-91.6	0	0	0	109.8	C576 H577	C576-F602 WeakPolarHBondContact O-CA 3.46Å; H577-F602 HydrophobicContact CB-CD1 4.02Å; H577-F602 HydrophobicContact CB-CE1 3.69Å; H577-F602 HydrophobicContact CB-CZ 4.01Å; H577-F602 AromaticContact CD2-CD2 3.75Å; H577-F602 AromaticContact CD2-CE2 3.43Å; H577-F602 VanDerWaalsContact CD2-CE2 3.43Å; H577-F602 WeakPolarHBondContact CD2-CE2 3.32Å; H577-F602 AromaticContact CD2-CZ 3.61Å
603	L	88.1	Confident	89.4	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124	172.8	-64	170.4	0	0	0	109.4	I568 N570 P575 C576 F578 E607 L609	I568-L603 HydrophobicContact CD1-CD1 3.95Å; I568-L603 HydrophobicContact CG1-CD1 3.83Å; I568-L603 HydrophobicContact CG2-CD1 4.09Å; N570-L603 HydrophobicContact CB-CB 3.77Å; N570-L603 HydrophobicContact CB-CD1 4.4Å; N570-L603 PolarHBondContact ND2-O 3.45Å; P575-L603 WeakPolarHBondContact CA-O 3.41Å; C576-L603 PolarHBondContact N-O 3.34Å; C576-L603 PolarHBondContact O-N 3.41Å; F578-L603 HydrophobicContact CD1-CD1 3.77Å; F578-L603 HydrophobicContact CD1-CG 3.84Å; F578-L603 HydrophobicContact CE1-CD1 4.17Å; F578-L603 HydrophobicContact CE1-CD2 4.39Å; F578-L603 HydrophobicContact CE1-CG 4.02Å; L603-E607 WeakPolarHBondContact CA-OE2 3.27Å; L603-E607 HydrophobicContact CB-CB 4.43Å; L603-E607 HydrophobicContact CD2-CB 4.37Å; L603-E607 HydrophobicContact CD2-CG 4.05Å; L603-L609 HydrophobicContact CD2-CB 3.69Å; L603-L609 HydrophobicContact CD2-CD2 4.21Å
604	E	91.4	Very high	89.7	Confident	110 Å²	110	54.3 Å²	54.3	51%	0.514	28%	0.279	S	S	.	.			trans	-69.1	159.3	167.7	-72.5	-60.3	143.8	0	0	111.2	N570 P575 S606 E607	N570-E604 WeakPolarHBondContact CB-O 3.49Å; N570-E604 PolarHBondContact ND2-O 2.87Å; P575-E604 WeakPolarHBondContact CG-OE2 3.43Å; E604-S606 PolarHBondContact O-N 3.49Å; E604-E607 HydrophobicContact CB-CB 4.35Å; E604-E607 PolarHBondContact N-OE2 3.16Å; E604-E607 WeakPolarHBondContact O-CB 3.41Å; E604-E607 PolarHBondContact O-N 3.07Å
605	P	90.5	Very high	89.9	Confident	51 Å²	51	54.1 Å²	54.1	33%	0.331	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	132.8	179.1	-27.4	35.9	0	0	0	112.8	E607	P605-E607 PolarHBondContact O-N 3.31Å
606	S	92.4	Very high	89.8	Confident	83 Å²	83	53.5 Å²	53.5	58%	0.58	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-4.5	-172.4	-53.9	0	0	0	0	116.8	N570 E604	N570-S606 WeakPolarHBondContact O-CA 3.44Å; N570-S606 PolarHBondContact O-N 3.46Å; E604-S606 PolarHBondContact O-N 3.49Å
607	E	93.2	Very high	89.2	Confident	89 Å²	89	54.9 Å²	54.9	42%	0.416	29%	0.285	S	S	.	.			trans	-63.1	144.7	174.7	-169.1	172	-164.2	0	0	111.1	K569 N570 L603 E604 P605	K569-E607 WeakPolarHBondContact CA-O 3.34Å; N570-E607 PolarHBondContact N-O 3.37Å; L603-E607 WeakPolarHBondContact CA-OE2 3.27Å; L603-E607 HydrophobicContact CB-CB 4.43Å; L603-E607 HydrophobicContact CD2-CB 4.37Å; L603-E607 HydrophobicContact CD2-CG 4.05Å; E604-E607 HydrophobicContact CB-CB 4.35Å; E604-E607 PolarHBondContact N-OE2 3.16Å; E604-E607 WeakPolarHBondContact O-CB 3.41Å; E604-E607 PolarHBondContact O-N 3.07Å; P605-E607 PolarHBondContact O-N 3.31Å
608	T	94.9	Very high	88.2	Confident	65 Å²	65	55.9 Å²	55.9	40%	0.399	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.4	179.3	-54.3	0	0	0	0	109.1	L567 I568 K569	L567-T608 HydrophobicContact CB-CG2 3.86Å; L567-T608 HydrophobicContact CD1-CG2 4.41Å; L567-T608 HydrophobicContact CD2-CG2 3.84Å; L567-T608 HydrophobicContact CG-CG2 4.25Å; I568-T608 CarbonylContact O-C 3.58Å; I568-T608 WeakPolarHBondContact O-CA 3.48Å; I568-T608 WeakPolarHBondContact O-CG2 3.44Å; K569-T608 HydrophobicContact CB-CG2 4.22Å; K569-T608 WeakPolarHBondContact CG-OG1 3.36Å
609	L	93.6	Very high	86.7	Confident	56 Å²	56	58.2 Å²	58.2	29%	0.293	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.6	-177.9	179.1	66.7	0	0	0	109.9	L567 I568 F578 P598 L603 I611	L567-L609 WeakPolarHBondContact CA-O 3.35Å; I568-L609 HydrophobicContact CG2-CB 3.89Å; I568-L609 WeakPolarHBondContact CG2-O 3.4Å; I568-L609 PolarHBondContact N-O 3.38Å; I568-L609 PolarHBondContact O-N 2.99Å; F578-L609 HydrophobicContact CE1-CD2 3.67Å; F578-L609 HydrophobicContact CZ-CD2 3.63Å; P598-L609 HydrophobicContact CG-CD2 3.86Å; L603-L609 HydrophobicContact CD2-CB 3.69Å; L603-L609 HydrophobicContact CD2-CD2 4.21Å; L609-I611 HydrophobicContact CD2-CD1 4.06Å; L609-I611 HydrophobicContact CG-CD1 4.22Å
610	E	95	Very high	84.9	Confident	64 Å²	64	60.8 Å²	60.8	30%	0.299	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.1	170.6	-76.9	-165.3	150.3	0	0	110.9	R565 L567 Y612	R565-E610 IonicContact CZ-OE1 3Å; R565-E610 IonicContact NE-OE1 2.67Å; R565-E610 IonicContact NH1-OE1 3.57Å; R565-E610 PolarHBondContact NH1-OE1 2.9Å; L567-E610 HydrophobicContact CD2-CG 3.49Å; L567-E610 VanDerWaalsContact CD2-CG 3.49Å; E610-Y612 HydrophobicContact CB-CE2 3.93Å; E610-Y612 PolarHBondContact OE2-OH 3.45Å
611	I	91.6	Very high	82.9	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.6	170.2	-49.7	-57.9	0	0	0	108.7	R565 F566 I568 F578 F580 A596 P598 L609	R565-I611 WeakPolarHBondContact CA-O 3.48Å; F566-I611 HydrophobicContact CD1-CB 4.1Å; F566-I611 HydrophobicContact CE1-CB 3.61Å; F566-I611 HydrophobicContact CE1-CG1 4.4Å; F566-I611 HydrophobicContact CE1-CG2 3.67Å; F566-I611 HydrophobicContact CE2-CB 4.24Å; F566-I611 HydrophobicContact CE2-CG1 4.21Å; F566-I611 HydrophobicContact CZ-CB 3.7Å; F566-I611 HydrophobicContact CZ-CG1 3.98Å; F566-I611 HydrophobicContact CZ-CG2 3.87Å; F566-I611 PolarHBondContact N-O 3.48Å; F566-I611 PolarHBondContact O-N 3.01Å; I568-I611 HydrophobicContact CB-CG1 4.35Å; I568-I611 HydrophobicContact CG2-CD1 3.84Å; I568-I611 HydrophobicContact CG2-CG1 3.72Å; F578-I611 HydrophobicContact CE2-CD1 3.92Å; F578-I611 HydrophobicContact CZ-CD1 3.85Å; F580-I611 HydrophobicContact CE2-CG2 3.95Å; F580-I611 HydrophobicContact CZ-CG2 3.94Å; A596-I611 HydrophobicContact CB-CG2 4.25Å; P598-I611 HydrophobicContact CG-CD1 3.76Å; L609-I611 HydrophobicContact CD2-CD1 4.06Å; L609-I611 HydrophobicContact CG-CD1 4.22Å
612	Y	91.2	Very high	80.6	Confident	85 Å²	85	64.8 Å²	64.8	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.5	174.7	-68.4	-95.1	0	0	0	109.5	K563 R565 A596 E597 E610	K563-Y612 HydrophobicContact CD-CD1 4.32Å; R565-Y612 HydrophobicContact CB-CD1 4.17Å; R565-Y612 HydrophobicContact CB-CE1 4.08Å; A596-Y612 CarbonylContact C-O 3.57Å; A596-Y612 WeakPolarHBondContact CA-O 3.44Å; E597-Y612 PolarHBondContact N-O 2.99Å; E597-Y612 PolarHBondContact O-N 3.45Å; E610-Y612 HydrophobicContact CB-CE2 3.93Å; E610-Y612 PolarHBondContact OE2-OH 3.45Å
613	L	89	Confident	78	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.7	168.5	-66.6	-175.3	0	0	0	108.7	F551 F553 K563 E564 F566 F580 R595 A596 W635	F551-L613 HydrophobicContact CB-CD1 4.46Å; F551-L613 HydrophobicContact CD1-CD1 3.82Å; F551-L613 HydrophobicContact CD2-CD1 3.56Å; F551-L613 HydrophobicContact CE1-CD1 3.88Å; F551-L613 HydrophobicContact CE2-CD1 3.64Å; F551-L613 HydrophobicContact CG-CD1 3.67Å; F551-L613 HydrophobicContact CZ-CD1 3.8Å; F553-L613 HydrophobicContact CZ-CB 4.05Å; K563-L613 WeakPolarHBondContact CA-O 3.19Å; E564-L613 PolarHBondContact N-O 2.85Å; E564-L613 PolarHBondContact O-N 3.3Å; F566-L613 HydrophobicContact CD1-CD1 4.33Å; F566-L613 HydrophobicContact CD1-CG 4.21Å; F566-L613 HydrophobicContact CE1-CD1 4.12Å; F566-L613 HydrophobicContact CE1-CD2 4.08Å; F566-L613 HydrophobicContact CE1-CG 3.87Å; F580-L613 HydrophobicContact CZ-CD2 4.45Å; R595-L613 WeakPolarHBondContact O-CA 3.49Å; A596-L613 HydrophobicContact CB-CD2 3.87Å; L613-W635 HydrophobicContact CD2-CH2 4.44Å; L613-W635 HydrophobicContact CD2-CZ2 3.77Å
614	E	87.9	Confident	75.7	Confident	22 Å²	22	70.7 Å²	70.7	10%	0.103	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.5	-176.3	-55.4	-164.4	134.8	0	0	110.5	L561 Q562 K563 L594 R595	L561-E614 HydrophobicContact CD1-CB 4.08Å; Q562-E614 WeakPolarHBondContact O-CA 3.48Å; K563-E614 HydrophobicContact CD-CG 4.23Å; K563-E614 WeakPolarHBondContact CE-OE1 3.12Å; K563-E614 HydrophobicContact CG-CG 4.27Å; K563-E614 IonicContact NZ-OE1 3.8Å; K563-E614 PolarHBondContact NZ-OE1 3.07Å; L594-E614 CarbonylContact C-O 3.55Å; L594-E614 VanDerWaalsContact CA-O 3.31Å; L594-E614 WeakPolarHBondContact CA-O 3.16Å; R595-E614 HydrophobicContact CB-CB 4.39Å; R595-E614 PolarHBondContact N-O 3.33Å; R595-E614 IonicContact NH1-OE2 3Å; R595-E614 PolarHBondContact NH1-OE2 3.11Å; R595-E614 PolarHBondContact O-N 3.11Å
615	V	85.7	Confident	73	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.006	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.2	171.6	172.9	0	0	0	0	109.3	F553 V556 Q562 W593 L594	F553-V615 HydrophobicContact CD1-CB 4.2Å; F553-V615 HydrophobicContact CD1-CG2 3.86Å; F553-V615 HydrophobicContact CD2-CG2 3.73Å; F553-V615 HydrophobicContact CE1-CB 4.26Å; F553-V615 HydrophobicContact CE1-CG2 3.76Å; F553-V615 HydrophobicContact CE2-CG2 3.65Å; F553-V615 HydrophobicContact CG-CB 4.46Å; F553-V615 HydrophobicContact CG-CG2 3.83Å; F553-V615 HydrophobicContact CZ-CG2 3.66Å; V556-V615 HydrophobicContact CG1-CG1 3.67Å; V556-V615 HydrophobicContact CG2-CG1 4.23Å; Q562-V615 PolarHBondContact N-O 2.9Å; Q562-V615 PolarHBondContact O-N 2.83Å; W593-V615 HydrophobicContact CE3-CG1 4.25Å; W593-V615 HydrophobicContact CE3-CG2 4.46Å; W593-V615 HydrophobicContact CZ3-CG2 4.37Å; W593-V615 WeakPolarHBondContact O-CA 3.36Å; L594-V615 HydrophobicContact CD1-CG2 3.68Å
616	Y	82.8	Confident	70.3	Confident	101 Å²	101	74.1 Å²	74.1	40%	0.396	45%	0.446	S	S	.	.			trans	-145.7	120.8	179.2	-175.6	-117.5	0	0	0	111.1	R559 L561 W593 T618	R559-Y616 HydrophobicContact CB-CE2 4.5Å; L561-Y616 HydrophobicContact CB-CD2 4.28Å; W593-Y616 VanDerWaalsContact CA-O 3.32Å; W593-Y616 WeakPolarHBondContact CA-O 3.26Å; W593-Y616 WeakPolarHBondContact CB-O 3.42Å; W593-Y616 PolarHBondContact O-N 3.5Å; Y616-T618 HydrophobicContact CD1-CG2 3.71Å; Y616-T618 HydrophobicContact CE1-CG2 3.24Å
617	T	75.6	Confident	67.7	Low	29 Å²	29	74.3 Å²	74.3	18%	0.178	45%	0.446	C	S	.	.			trans	-109.1	120.2	-177.4	55.5	0	0	0	0	111.3	V556 K557 R559 W593	V556-T617 HydrophobicContact CG1-CG2 4.11Å; K557-T617 PolarHBondContact O-OG1 3.02Å; R559-T617 PolarHBondContact N-O 3.47Å; W593-T617 HydrophobicContact CB-CG2 4.2Å
618	T	66.9	Low	64.9	Low	97 Å²	97	75.2 Å²	75.2	60%	0.595	46%	0.46	S	S	*	.			trans	-106.3	-11.9	-176.8	50.5	0	0	0	0	114.3	F558 Y616	F558-T618 VanDerWaalsContact CE2-C 3.47Å; F558-T618 VanDerWaalsContact CE2-O 3.28Å; F558-T618 WeakPolarHBondContact CE2-O 3.37Å; Y616-T618 HydrophobicContact CD1-CG2 3.71Å; Y616-T618 HydrophobicContact CE1-CG2 3.24Å
619	S	60	Low	62	Low	97 Å²	97	75.8 Å²	75.8	68%	0.678	47%	0.472	S	S	*	.	S	Bend	trans	-98.8	131.8	172.6	36.5	0	0	0	0	110.9	F558	F558-S619 WeakPolarHBondContact CD2-O 3.41Å; F558-S619 VanDerWaalsContact CE2-C 3.42Å
620	S	46.8	Very low	59.3	Low	90 Å²	90	74.3 Å²	74.3	63%	0.629	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-70.8	140.1	-179.6	54.7	0	0	0	0	110.9	S622	S620-S622 PolarHBondContact O-N 3.01Å
621	P	46.8	Very low	56.5	Low	89 Å²	89	75.9 Å²	75.9	58%	0.578	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-67	121.6	167.9	8.7	1.2	0	0	0	109.2
622	S	39.4	Very low	53.9	Low	96 Å²	96	76.8 Å²	76.8	67%	0.671	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-57.8	137.4	156	50.9	0	0	0	0	108.5	S620 G624	S620-S622 PolarHBondContact O-N 3.01Å; S622-G624 PolarHBondContact O-N 2.96Å
623	L	35.8	Very low	51.7	Low	175 Å²	175	74.6 Å²	74.6	92%	0.916	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	134.3	-172.4	-89.8	67.7	0	0	0	113.7
624	G	38.8	Very low	49.7	Very low	84 Å²	84	80.1 Å²	80.1	87%	0.866	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.4	-11.8	156.4	0	0	0	0	0	117.4	S622	S622-G624 PolarHBondContact O-N 2.96Å
625	T	34.7	Very low	48.3	Very low	104 Å²	104	81.4 Å²	81.4	64%	0.638	52%	0.519	S	S	*	.			trans	-104.4	112.2	174.9	-1.8	0	0	0	0	111.2	C627	T625-C627 PolarHBondContact O-N 3.16Å
626	T	34.2	Very low	46.9	Very low	129 Å²	129	84.1 Å²	84.1	79%	0.791	53%	0.529	S	S	*	.			trans	-50.6	128.2	152.9	41	0	0	0	0	107.9	P628	T626-P628 VanDerWaalsContact O-CD 3.26Å; T626-P628 WeakPolarHBondContact O-CD 3.42Å
627	C	36.9	Very low	45.6	Very low	86 Å²	86	81.7 Å²	81.7	58%	0.581	52%	0.522	S	S	*	.			trans	-54.6	115.8	169.7	-74.5	0	0	0	0	107.5	T625 A629	T625-C627 PolarHBondContact O-N 3.16Å; C627-A629 PolarHBondContact O-N 3.26Å
628	P	34.5	Very low	44.8	Very low	109 Å²	109	82.7 Å²	82.7	71%	0.708	53%	0.53	S	S	*	.			trans	-57.9	137.7	174.9	25.7	-32.9	0	0	0	107	T626 A630	T626-P628 VanDerWaalsContact O-CD 3.26Å; T626-P628 WeakPolarHBondContact O-CD 3.42Å; P628-A630 PolarHBondContact O-N 3.31Å
629	A	35.9	Very low	44.6	Very low	77 Å²	77	79.4 Å²	79.4	64%	0.636	51%	0.513	S	S	*	.			trans	-44.9	115	-175.8	0	0	0	0	0	109.1	C627 S631	C627-A629 PolarHBondContact O-N 3.26Å; A629-S631 PolarHBondContact O-N 2.79Å
630	A	36	Very low	44.7	Very low	25 Å²	25	76.8 Å²	76.8	21%	0.207	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	84.3	-168.9	0	0	0	0	0	109	W593 P628 A632	W593-A630 HydrophobicContact CH2-CB 4.2Å; W593-A630 HydrophobicContact CZ3-CB 4.22Å; P628-A630 PolarHBondContact O-N 3.31Å; A630-A632 PolarHBondContact O-N 3.33Å; A630-A632 VanDerWaalsContact O-N 3.11Å
631	S	35.8	Very low	44.8	Very low	97 Å²	97	74.7 Å²	74.7	68%	0.678	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	113.6	167.9	53	0	0	0	0	106.6	A629	A629-S631 PolarHBondContact O-N 2.79Å
632	A	37.8	Very low	44.6	Very low	19 Å²	19	73.7 Å²	73.7	16%	0.157	49%	0.488	C	S	.	.			trans	-55	127.8	174.4	0	0	0	0	0	107.7	F551 A630	F551-A632 HydrophobicContact CB-CB 4.2Å; F551-A632 HydrophobicContact CD2-CB 4.41Å; A630-A632 PolarHBondContact O-N 3.33Å; A630-A632 VanDerWaalsContact O-N 3.11Å
633	P	43.5	Very low	44.4	Very low	40 Å²	40	73.1 Å²	73.1	26%	0.26	48%	0.484	S	S	.	.			trans	-59.2	145.4	-178.5	25.6	-34.1	0	0	0	109.1	L594 W635	L594-P633 HydrophobicContact CD2-CG 4.4Å; P633-W635 PolarHBondContact O-N 2.76Å
634	H	48.9	Very low	44.2	Very low	115 Å²	115	77.5 Å²	77.5	53%	0.532	49%	0.488	S	S	.	.			trans	-52.9	103.4	172.9	-67.8	-48	0	0	0	110.4	K583	K583-H634 WeakPolarHBondContact CE-O 3.47Å; K583-H634 PolarHBondContact NZ-O 3.22Å
635	W	56.6	Low	43.7	Very low	50 Å²	50	77.2 Å²	77.2	19%	0.189	47%	0.473	C	S	.	.			trans	-71.7	143.8	178.1	-56.3	101	0	0	0	109.5	F580 Y589 C590 L594 L613 P633	F580-W635 HydrophobicContact CD1-CB 4.05Å; F580-W635 AromaticContact CD1-CD2 3.71Å; F580-W635 HydrophobicContact CD1-CD2 3.71Å; F580-W635 AromaticContact CD1-CE3 3.49Å; F580-W635 HydrophobicContact CD1-CE3 3.49Å; F580-W635 VanDerWaalsContact CD1-CE3 3.49Å; F580-W635 HydrophobicContact CD1-CG 4.01Å; F580-W635 HydrophobicContact CD1-CZ3 4.01Å; F580-W635 HydrophobicContact CE1-CB 4.26Å; F580-W635 AromaticContact CE1-CD2 3.74Å; F580-W635 HydrophobicContact CE1-CD2 3.74Å; F580-W635 AromaticContact CE1-CE3 3.95Å; F580-W635 HydrophobicContact CE1-CE3 3.95Å; F580-W635 AromaticContact CE1-CG 3.94Å; F580-W635 HydrophobicContact CE1-CG 3.94Å; F580-W635 HydrophobicContact CE1-CZ3 4.4Å; Y589-W635 HydrophobicContact CD2-CE3 4.08Å; Y589-W635 HydrophobicContact CD2-CH2 4.43Å; Y589-W635 AromaticContact CD2-CZ3 3.47Å; Y589-W635 HydrophobicContact CD2-CZ3 3.47Å; Y589-W635 VanDerWaalsContact CD2-CZ3 3.47Å; Y589-W635 HydrophobicContact CE2-CH2 4.3Å; Y589-W635 AromaticContact CE2-CZ3 3.76Å; Y589-W635 HydrophobicContact CE2-CZ3 3.76Å; Y589-W635 WeakPolarHBondContact O-CZ3 3.5Å; C590-W635 HydrophobicContact CB-CH2 3.81Å; C590-W635 HydrophobicContact CB-CZ3 3.66Å; L594-W635 HydrophobicContact CD1-CZ2 4.31Å; L594-W635 HydrophobicContact CD2-CH2 3.69Å; L594-W635 HydrophobicContact CD2-CZ2 3.49Å; L594-W635 VanDerWaalsContact CD2-CZ2 3.49Å; L594-W635 HydrophobicContact CG-CH2 3.8Å; L594-W635 HydrophobicContact CG-CZ2 3.85Å; L613-W635 HydrophobicContact CD2-CH2 4.44Å; L613-W635 HydrophobicContact CD2-CZ2 3.77Å; P633-W635 PolarHBondContact O-N 2.76Å
636	R	56.3	Low	43.4	Very low	57 Å²	57	82 Å²	82	22%	0.215	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111.8	162.6	-73.5	-171.8	-179.9	-169	3.9	108.3	I581 T653	I581-R636 HydrophobicContact CD1-CB 4.09Å; I581-R636 HydrophobicContact CG1-CB 3.54Å; I581-R636 PolarHBondContact N-O 2.66Å; R636-T653 VanDerWaalsContact NH2-CG2 3.27Å
637	L	56.8	Low	43.1	Very low	51 Å²	51	86.2 Å²	86.2	27%	0.267	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.3	167.6	-174.1	65.8	0	0	0	107.5	V544 L546 I568 F578 A579	V544-L637 HydrophobicContact CG2-CD2 3.69Å; V544-L637 HydrophobicContact CG2-CG 4.39Å; L546-L637 HydrophobicContact CD1-CD2 4.07Å; L546-L637 HydrophobicContact CD2-CD2 3.75Å; L546-L637 HydrophobicContact CG-CD2 4.2Å; I568-L637 HydrophobicContact CD1-CD1 4.22Å; I568-L637 HydrophobicContact CD1-CD2 3.77Å; F578-L637 HydrophobicContact CB-CD1 4.02Å; F578-L637 HydrophobicContact CD2-CD1 3.95Å; F578-L637 HydrophobicContact CG-CD1 4.44Å; A579-L637 WeakPolarHBondContact O-CA 3.4Å
638	C	59.6	Low	42.6	Very low	50 Å²	50	87.3 Å²	87.3	34%	0.338	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.1	171.9	-168.5	0	0	0	0	108.9	F578 A579 I581	F578-C638 CarbonylContact C-O 3.55Å; F578-C638 VanDerWaalsContact CA-O 3.26Å; F578-C638 WeakPolarHBondContact CA-O 3.43Å; A579-C638 PolarHBondContact N-O 3.41Å; A579-C638 VanDerWaalsContact N-O 3.08Å; A579-C638 PolarHBondContact O-N 3.47Å; I581-C638 HydrophobicContact CD1-CB 4.26Å; I581-C638 HydrophobicContact CG2-CB 4.12Å
639	A	61.7	Low	42.4	Very low	28 Å²	28	87.4 Å²	87.4	23%	0.231	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.2	168.9	0	0	0	0	0	108.8	P542 V544 H577	P542-A639 HydrophobicContact CB-CB 4.16Å; P542-A639 VanDerWaalsContact CG-O 3.31Å; P542-A639 WeakPolarHBondContact CG-O 3.34Å; V544-A639 HydrophobicContact CG1-CB 4.25Å; V544-A639 HydrophobicContact CG2-CB 4.04Å; H577-A639 WeakPolarHBondContact O-CA 3.38Å
640	A	62.2	Low	41.8	Very low	42 Å²	42	90 Å²	90	35%	0.347	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.5	-177.5	0	0	0	0	0	111.6	C576 H577	C576-A640 WeakPolarHBondContact CA-O 3.24Å; H577-A640 PolarHBondContact N-O 3.13Å; H577-A640 PolarHBondContact O-N 3.38Å
641	S	48	Very low	41.4	Very low	45 Å²	45	94.2 Å²	94.2	32%	0.315	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	137.9	170.7	54.9	0	0	0	0	110.1	S643	S641-S643 PolarHBondContact O-N 3.33Å
642	G	44.3	Very low	40.8	Very low	68 Å²	68	92.7 Å²	92.7	70%	0.701	52%	0.524	S	S	*	.	S	Bend	trans	-64.4	80.4	-172.1	0	0	0	0	0	116.2
643	S	34.3	Very low	40	Very low	84 Å²	84	97.1 Å²	97.1	59%	0.587	55%	0.549	S	S	*	.			trans	-132	114.8	154.3	62.8	0	0	0	0	109.5	S641 S645	S641-S643 PolarHBondContact O-N 3.33Å; S643-S645 PolarHBondContact O-N 2.9Å
644	R	32.4	Very low	39.3	Very low	267 Å²	267	100.7 Å²	100.7	100%	1.008	56%	0.558	S	S	*	*			trans	-76.2	74.9	175.4	-142.9	-176	-165.2	-172.8	4.9	108.4
645	S	27.3	Very low	38.2	Very low	78 Å²	78	101.8 Å²	101.8	55%	0.545	56%	0.563	S	S	.	*			trans	-112	128.1	169.2	81.6	0	0	0	0	109.3	S643 R647	S643-S645 PolarHBondContact O-N 2.9Å; S645-R647 VanDerWaalsContact C-N 3.3Å; S645-R647 PolarHBondContact O-N 2.74Å
646	E	29.5	Very low	36.8	Very low	204 Å²	204	108.4 Å²	108.4	95%	0.953	59%	0.588	S	S	*	*			trans	-68.1	87.2	176.2	-64.7	174	141.2	0	0	110
647	R	26.7	Very low	35.3	Very low	218 Å²	218	110.1 Å²	110.1	82%	0.823	61%	0.605	S	S	*	*			trans	-128.5	118.2	158.5	-69.2	-168.4	-177.4	-165	2.1	108.1	S645	S645-R647 VanDerWaalsContact C-N 3.3Å; S645-R647 PolarHBondContact O-N 2.74Å
648	S	26.4	Very low	33.9	Very low	110 Å²	110	111.4 Å²	111.4	77%	0.769	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-52.1	124.2	169.6	35	0	0	0	0	109.2	T650	S648-T650 PolarHBondContact O-N 3.43Å; S648-T650 VanDerWaalsContact O-N 3.09Å
649	P	30.7	Very low	32.6	Very low	111 Å²	111	114 Å²	114	72%	0.721	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-65.2	116.5	175.4	24.8	-30.5	0	0	0	108.1	S651	P649-S651 PolarHBondContact O-N 3Å
650	T	24	Very low	31	Very low	131 Å²	131	119.3 Å²	119.3	80%	0.804	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.8	131.3	177	40.3	0	0	0	0	109.6	S648 S652	S648-T650 PolarHBondContact O-N 3.43Å; S648-T650 VanDerWaalsContact O-N 3.09Å; T650-S652 PolarHBondContact O-N 2.98Å
651	S	25.8	Very low	29.4	Very low	113 Å²	113	124.5 Å²	124.5	79%	0.79	67%	0.672	S	S	*	*			trans	-63.9	105.3	-172.2	41.6	0	0	0	0	111.4	P649	P649-S651 PolarHBondContact O-N 3Å
652	S	23.4	Very low	28.5	Very low	65 Å²	65	131.2 Å²	131.2	46%	0.455	69%	0.69	S	S	.	*			trans	-113	129.3	155.8	46	0	0	0	0	108.9	T650 W654	T650-S652 PolarHBondContact O-N 2.98Å; S652-W654 PolarHBondContact O-N 2.86Å; S652-W654 PolarHBondContact OG-NE1 3.06Å
653	T	22.3	Very low	27.7	Very low	112 Å²	112	135 Å²	135	69%	0.687	69%	0.688	S	S	*	*			trans	-77.9	112.9	-177.3	-24.9	0	0	0	0	108.7	R636	R636-T653 VanDerWaalsContact NH2-CG2 3.27Å
654	W	28.9	Very low	27.3	Very low	115 Å²	115	136 Å²	136	44%	0.436	70%	0.695	S	S	.	*			trans	-114.5	94.8	173.8	-61.1	93.1	0	0	0	109.5	S652	S652-W654 PolarHBondContact O-N 2.86Å; S652-W654 PolarHBondContact OG-NE1 3.06Å
655	E	25.5	Very low	27.2	Very low	138 Å²	138	134.3 Å²	134.3	65%	0.645	69%	0.688	S	S	*	*	S	Bend	trans	-105	123	159.2	-78.3	-177	150	0	0	107.4	T657	E655-T657 PolarHBondContact O-N 3.06Å
656	R	27.1	Very low	27.2	Very low	189 Å²	189	146.2 Å²	146.2	71%	0.713	72%	0.721	S	S	*	*	S	Bend	trans	26	71.1	-174.7	-74.8	-165.5	-175.9	-171.7	5.2	116.1	D550	D550-R656 IonicContact OD1-NH2 3.84Å; D550-R656 IonicContact OD2-NH2 3.08Å; D550-R656 PolarHBondContact OD2-NH2 2.98Å
657	T	24.2	Very low	27.1	Very low	93 Å²	93	143.3 Å²	143.3	57%	0.571	71%	0.71	S	S	*	*			trans	-127.1	125.9	138.6	-29.4	0	0	0	0	107.2	E655 V659	E655-T657 PolarHBondContact O-N 3.06Å; T657-V659 PolarHBondContact O-N 3.38Å
658	A	28.2	Very low	27.1	Very low	78 Å²	78	139.4 Å²	139.4	65%	0.645	70%	0.704	S	S	*	*			trans	-53.8	141.7	162.3	0	0	0	0	0	107.8	Q660	A658-Q660 HydrophobicContact CB-CB 4.47Å; A658-Q660 PolarHBondContact O-N 3.34Å
659	V	31.1	Very low	27.2	Very low	106 Å²	106	141 Å²	141	64%	0.642	70%	0.7	S	S	*	*			trans	-76.1	51.9	171.6	-171.5	0	0	0	0	109.4	T657 K661	T657-V659 PolarHBondContact O-N 3.38Å; V659-K661 PolarHBondContact O-N 2.93Å; V659-K661 VanDerWaalsContact O-N 3.12Å
660	Q	28.6	Very low	27	Very low	139 Å²	139	142.8 Å²	142.8	65%	0.65	70%	0.699	S	S	*	*			trans	-84.7	55.8	162.6	-157.8	165.2	38.8	0	0	108.6	A658 R662	A658-Q660 HydrophobicContact CB-CB 4.47Å; A658-Q660 PolarHBondContact O-N 3.34Å; Q660-R662 HydrophobicContact CG-CG 4.22Å; Q660-R662 PolarHBondContact O-N 2.84Å
661	K	28.7	Very low	27.1	Very low	150 Å²	150	143.5 Å²	143.5	65%	0.652	69%	0.692	S	S	*	*			trans	-71.4	57	155.7	-98.3	-168.9	176.5	179.9	0	109.4	V659 K663	V659-K661 PolarHBondContact O-N 2.93Å; V659-K661 VanDerWaalsContact O-N 3.12Å; K661-K663 PolarHBondContact O-N 3.03Å
662	R	29.1	Very low	27.2	Very low	186 Å²	186	145.5 Å²	145.5	70%	0.702	69%	0.686	S	S	*	*			trans	-54.1	112.7	149.2	-90.1	-177	166.7	173	-3.1	105.1	Q660 S664	Q660-R662 HydrophobicContact CG-CG 4.22Å; Q660-R662 PolarHBondContact O-N 2.84Å; R662-S664 PolarHBondContact O-N 2.67Å
663	K	27.9	Very low	27.5	Very low	149 Å²	149	151.3 Å²	151.3	65%	0.648	70%	0.702	S	S	*	*			trans	-60.5	88.5	170.6	-76.2	176.1	177.8	165.9	0	108.2	D534 E537 K661 R665	D534-K663 IonicContact OD1-NZ 3.56Å; D534-K663 PolarHBondContact OD1-NZ 2.89Å; E537-K663 IonicContact OE2-NZ 2.91Å; E537-K663 PolarHBondContact OE2-NZ 2.74Å; K661-K663 PolarHBondContact O-N 3.03Å; K663-R665 PolarHBondContact O-N 3.11Å
664	S	25.9	Very low	27.9	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	70%	0.704	S	S	*	*			trans	-88.9	97	175.7	56.2	0	0	0	0	109.7	R662	R662-S664 PolarHBondContact O-N 2.67Å
665	R	29.2	Very low	27.8	Very low	231 Å²	231	157.6 Å²	157.6	87%	0.872	73%	0.726	S	S	*	*			trans	68.6	140.6	179.6	-59.4	178.1	174.6	-177.4	-3.1	113.4	K663	K663-R665 PolarHBondContact O-N 3.11Å
666	W	28.5	Very low	28	Very low	327 Å²	327	159.4 Å²	159.4	100%	1.239	73%	0.733	S	S	*	*			cis	-104.5	0	27.4	-75.6	71.6	0	0	0	115.3

Retrieved 666 of 666 residues in 608.4 ms (Link to these results)

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