A0A087YFG1_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087YFG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 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	Q	40.2	Very low	37.1	Very low	252 Å²	252	197.5 Å²	197.5	100%	1.178	90%	0.9	S	S	*	*				0	97.2	0	-151.9	167.6	2.8	0	0	106.9
2	E	37.2	Very low	37.4	Very low	174 Å²	174	195.5 Å²	195.5	81%	0.813	90%	0.901	S	S	*	*			trans	-68.2	164.2	179.6	-69.2	177	122.8	0	0	112.7
3	R	37.5	Very low	37.9	Very low	229 Å²	229	199.2 Å²	199.2	86%	0.864	90%	0.902	S	S	*	*			trans	79.6	100.4	158.9	-70.5	176.4	-175.6	-156.9	0.1	118.4
4	R	37.8	Very low	38.4	Very low	253 Å²	253	201.7 Å²	201.7	96%	0.955	90%	0.901	S	S	*	*				-159.9	93.6	114.4	-109.2	175.4	-178.4	-176.7	1.3	111.2
5	M	35.3	Very low	39.2	Very low	180 Å²	180	197.1 Å²	197.1	89%	0.887	90%	0.898	S	S	*	*			trans	-75.8	163	159.2	-75.7	-172.8	-60.5	0	0	110.9
6	S	41.6	Very low	40	Very low	111 Å²	111	193.1 Å²	193.1	78%	0.776	89%	0.886	S	S	*	*			trans	81.4	89.1	140.6	172.2	0	0	0	0	118.4
7	V	36.6	Very low	41.3	Very low	128 Å²	128	189.2 Å²	189.2	78%	0.776	87%	0.868	S	S	*	*	S	Bend	trans	-146.5	-29.2	142.1	-176	0	0	0	0	114.2	R9	V7-R9 PolarHBondContact O-N 2.85Å; V7-R9 VanDerWaalsContact O-N 3.09Å
8	F	34.8	Very low	42.3	Very low	213 Å²	213	184 Å²	184	93%	0.934	85%	0.854	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	20.1	-164.8	-102.5	-86.1	0	0	0	118.3
9	R	33.8	Very low	43	Very low	250 Å²	250	180.4 Å²	180.4	94%	0.943	84%	0.841	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	23.6	-179.3	-114.1	-176.4	-173.9	-175.8	2.4	115.2	V7	V7-R9 PolarHBondContact O-N 2.85Å; V7-R9 VanDerWaalsContact O-N 3.09Å
10	R	34.9	Very low	43.5	Very low	238 Å²	238	178.1 Å²	178.1	90%	0.898	83%	0.828	S	S	*	*	S	Bend	trans	-130.7	25.1	-172	-107.4	-174.7	-166.6	-176.2	4.8	118.1
11	V	38.3	Very low	44.4	Very low	145 Å²	145	174.9 Å²	174.9	88%	0.879	82%	0.817	S	S	*	*	S	Bend	trans	-117.1	-8.6	176.1	-174.2	0	0	0	0	114.7	R13	V11-R13 PolarHBondContact O-N 3.34Å
12	L	41.1	Very low	45.9	Very low	173 Å²	173	166.8 Å²	166.8	91%	0.906	78%	0.784	S	S	*	*	S	Bend	trans	-88.7	88.5	167.9	-85	104.4	0	0	0	110.8
13	R	43.3	Very low	47.3	Very low	244 Å²	244	163.2 Å²	163.2	92%	0.921	77%	0.769	S	S	*	*			trans	170.6	90.7	149	-95.3	165.7	-171.3	-161.9	3.4	109.9	V11	V11-R13 PolarHBondContact O-N 3.34Å
14	R	44.7	Very low	48.9	Very low	234 Å²	234	157.1 Å²	157.1	88%	0.883	76%	0.757	S	S	*	*			trans	-137.4	128	152.2	-76.2	-170.7	177.3	-177.8	-1.1	108.1	L16	R14-L16 PolarHBondContact O-N 2.91Å
15	P	50.4	Low	50.5	Low	132 Å²	132	148.7 Å²	148.7	86%	0.857	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-71.9	129.1	177	28.6	-30.1	0	0	0	109.5
16	L	52.8	Low	52.5	Low	134 Å²	134	145 Å²	145	70%	0.702	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-72.3	125.8	173.8	-90.8	124.4	0	0	0	109.6	R14 K20	R14-L16 PolarHBondContact O-N 2.91Å; L16-K20 HydrophobicContact CD2-CB 4.37Å; L16-K20 HydrophobicContact CD2-CD 4.33Å
17	H	61.3	Low	54.2	Low	127 Å²	127	143.9 Å²	143.9	59%	0.588	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.6	136.3	-179.7	-163.9	-87.6	0	0	0	111.1	L19 K20	H17-L19 PolarHBondContact O-N 3.09Å; H17-K20 WeakPolarHBondContact O-CB 3.3Å; H17-K20 PolarHBondContact O-N 2.76Å
18	P	60	Low	55.8	Low	95 Å²	95	143.7 Å²	143.7	62%	0.617	69%	0.694	S	S	*	*	H	α-helix	trans	-57	-29.5	-171.4	17.4	-30.1	0	0	0	114.1	K20 L21 V22	P18-K20 VanDerWaalsContact C-N 3.27Å; P18-K20 PolarHBondContact O-N 3.45Å; P18-L21 PolarHBondContact O-N 3.08Å; P18-L21 VanDerWaalsContact O-N 3.16Å; P18-V22 PolarHBondContact O-N 2.94Å
19	L	55.1	Low	57.8	Low	115 Å²	115	137.6 Å²	137.6	60%	0.602	67%	0.674	S	S	*	*	H	α-helix	trans	-61.7	-31	175.4	-155.3	78.3	0	0	0	113.4	H17 I23	H17-L19 PolarHBondContact O-N 3.09Å; L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.12Å; L19-I23 PolarHBondContact O-N 3.24Å
20	K	54.3	Low	59.6	Low	134 Å²	134	129 Å²	129	58%	0.583	65%	0.649	S	S	*	*	H	α-helix	trans	-76.5	-30.4	177	-68.5	-171.9	175.8	-173.4	0	112.1	L16 H17 P18 V24	L16-K20 HydrophobicContact CD2-CB 4.37Å; L16-K20 HydrophobicContact CD2-CD 4.33Å; H17-K20 WeakPolarHBondContact O-CB 3.3Å; H17-K20 PolarHBondContact O-N 2.76Å; P18-K20 VanDerWaalsContact C-N 3.27Å; P18-K20 PolarHBondContact O-N 3.45Å; K20-V24 VanDerWaalsContact O-CG2 3.26Å; K20-V24 WeakPolarHBondContact O-CG2 3.15Å; K20-V24 PolarHBondContact O-N 2.84Å; K20-V24 VanDerWaalsContact O-N 3.14Å
21	L	60.7	Low	61.4	Low	112 Å²	112	123.4 Å²	123.4	59%	0.586	63%	0.632	S	S	*	*	H	α-helix	trans	-68.2	-44.5	176	-138.8	94.4	0	0	0	110.2	P18 I23 V24 T25	P18-L21 PolarHBondContact O-N 3.08Å; P18-L21 VanDerWaalsContact O-N 3.16Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-I23 PolarHBondContact O-N 3.02Å; L21-V24 PolarHBondContact O-N 2.98Å; L21-T25 PolarHBondContact O-N 3.01Å; L21-T25 PolarHBondContact O-OG1 3.07Å
22	V	71.5	Confident	62.7	Low	81 Å²	81	120.2 Å²	120.2	49%	0.491	61%	0.609	S	S	.	*	H	α-helix	trans	-60.6	-42.3	178.2	175.6	0	0	0	0	111.8	P18 T25 I26	P18-V22 PolarHBondContact O-N 2.94Å; V22-T25 PolarHBondContact O-N 2.02Å; V22-I26 HydrophobicContact CG1-CD1 3.83Å; V22-I26 HydrophobicContact CG1-CG1 4.46Å; V22-I26 VanDerWaalsContact O-CG1 3.3Å; V22-I26 WeakPolarHBondContact O-CG1 2.96Å; V22-I26 PolarHBondContact O-N 3.09Å
23	I	68.6	Low	63.9	Low	99 Å²	99	118.2 Å²	118.2	51%	0.508	59%	0.594	S	S	.	*	H	α-helix	trans	-64.8	-42.7	177	-66.7	167.6	0	0	0	110.9	L19 L21 T25 I26 V27	L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.12Å; L19-I23 PolarHBondContact O-N 3.24Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-I23 PolarHBondContact O-N 3.02Å; I23-T25 VanDerWaalsContact C-N 3.34Å; I23-T25 PolarHBondContact O-N 2.54Å; I23-I26 PolarHBondContact O-N 3.14Å; I23-V27 HydrophobicContact CG2-CG2 4.42Å; I23-V27 WeakPolarHBondContact O-CB 3.28Å; I23-V27 VanDerWaalsContact O-CG2 3.26Å; I23-V27 WeakPolarHBondContact O-CG2 3.23Å; I23-V27 PolarHBondContact O-N 2.9Å
24	V	71.1	Confident	64.6	Low	101 Å²	101	113.1 Å²	113.1	61%	0.612	58%	0.578	S	S	*	*	H	α-helix	trans	-64.8	-39.3	177.2	171.9	0	0	0	0	111.2	K20 L21 F28	K20-V24 VanDerWaalsContact O-CG2 3.26Å; K20-V24 WeakPolarHBondContact O-CG2 3.15Å; K20-V24 PolarHBondContact O-N 2.84Å; K20-V24 VanDerWaalsContact O-N 3.14Å; L21-V24 PolarHBondContact O-N 2.98Å; V24-F28 VanDerWaalsContact O-CB 3.24Å; V24-F28 WeakPolarHBondContact O-CB 3.18Å; V24-F28 PolarHBondContact O-N 3.19Å
25	T	69.9	Low	65.4	Low	76 Å²	76	105.3 Å²	105.3	47%	0.466	55%	0.554	S	S	.	*	H	α-helix	trans	-67.7	-40.9	177	-46.4	0	0	0	0	111.9	L21 V22 I23 F28 V29	L21-T25 PolarHBondContact O-N 3.01Å; L21-T25 PolarHBondContact O-OG1 3.07Å; V22-T25 PolarHBondContact O-N 2.02Å; I23-T25 VanDerWaalsContact C-N 3.34Å; I23-T25 PolarHBondContact O-N 2.54Å; T25-F28 PolarHBondContact O-N 2.94Å; T25-V29 HydrophobicContact CG2-CG2 4.41Å; T25-V29 WeakPolarHBondContact O-CB 3.49Å; T25-V29 VanDerWaalsContact O-CG2 3.26Å; T25-V29 WeakPolarHBondContact O-CG2 3.37Å; T25-V29 PolarHBondContact O-N 3.05Å
26	I	78.7	Confident	65.2	Low	103 Å²	103	106.2 Å²	106.2	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-63.5	-47.3	176.3	-69.7	168.6	0	0	0	110.4	V22 I23 F28 V29 T30	V22-I26 HydrophobicContact CG1-CD1 3.83Å; V22-I26 HydrophobicContact CG1-CG1 4.46Å; V22-I26 VanDerWaalsContact O-CG1 3.3Å; V22-I26 WeakPolarHBondContact O-CG1 2.96Å; V22-I26 PolarHBondContact O-N 3.09Å; I23-I26 PolarHBondContact O-N 3.14Å; I26-F28 VanDerWaalsContact C-N 3.31Å; I26-F28 PolarHBondContact O-N 2.91Å; I26-V29 PolarHBondContact O-N 3.15Å; I26-T30 PolarHBondContact O-N 2.7Å; I26-T30 PolarHBondContact O-OG1 2.76Å
27	V	75.4	Confident	64.8	Low	88 Å²	88	107.9 Å²	107.9	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-60	-42.3	177.7	172	0	0	0	0	111.1	I23 T30 F31	I23-V27 HydrophobicContact CG2-CG2 4.42Å; I23-V27 WeakPolarHBondContact O-CB 3.28Å; I23-V27 VanDerWaalsContact O-CG2 3.26Å; I23-V27 WeakPolarHBondContact O-CG2 3.23Å; I23-V27 PolarHBondContact O-N 2.9Å; V27-T30 VanDerWaalsContact CA-OG1 3.32Å; V27-T30 WeakPolarHBondContact CA-OG1 3.33Å; V27-T30 PolarHBondContact O-N 2.68Å; V27-T30 PolarHBondContact O-OG1 3.32Å; V27-F31 VanDerWaalsContact O-CB 3.27Å; V27-F31 WeakPolarHBondContact O-CB 3.49Å; V27-F31 PolarHBondContact O-N 3Å
28	F	71.9	Confident	64	Low	123 Å²	123	108.7 Å²	108.7	54%	0.539	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-39.9	179	-170	-105.1	0	0	0	112.7	V24 T25 I26 F31 L32	V24-F28 VanDerWaalsContact O-CB 3.24Å; V24-F28 WeakPolarHBondContact O-CB 3.18Å; V24-F28 PolarHBondContact O-N 3.19Å; T25-F28 PolarHBondContact O-N 2.94Å; I26-F28 VanDerWaalsContact C-N 3.31Å; I26-F28 PolarHBondContact O-N 2.91Å; F28-F31 PolarHBondContact O-N 3.41Å; F28-L32 HydrophobicContact CD1-CD1 3.78Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.45Å; F28-L32 VanDerWaalsContact CE1-CD1 3.45Å; F28-L32 HydrophobicContact CE1-CG 4.17Å; F28-L32 HydrophobicContact CZ-CD1 4.08Å; F28-L32 HydrophobicContact CZ-CG 4.41Å; F28-L32 WeakPolarHBondContact O-CG 3.32Å; F28-L32 PolarHBondContact O-N 3.29Å
29	V	76.1	Confident	63.4	Low	86 Å²	86	109.8 Å²	109.8	52%	0.521	55%	0.552	S	S	.	*	H	α-helix	trans	-70	-39.7	176.7	173.1	0	0	0	0	111.2	T25 I26 F31 L32 F33	T25-V29 HydrophobicContact CG2-CG2 4.41Å; T25-V29 WeakPolarHBondContact O-CB 3.49Å; T25-V29 VanDerWaalsContact O-CG2 3.26Å; T25-V29 WeakPolarHBondContact O-CG2 3.37Å; T25-V29 PolarHBondContact O-N 3.05Å; I26-V29 PolarHBondContact O-N 3.15Å; V29-F31 VanDerWaalsContact C-N 3.33Å; V29-F31 PolarHBondContact O-N 2.75Å; V29-L32 PolarHBondContact O-N 3.44Å; V29-F33 WeakPolarHBondContact O-CB 3.38Å; V29-F33 PolarHBondContact O-N 3.4Å
30	T	71.8	Confident	62.6	Low	68 Å²	68	107.6 Å²	107.6	42%	0.417	56%	0.557	S	S	.	*	H	α-helix	trans	-63.9	-38.7	171.9	41	0	0	0	0	112	I26 V27 F33 F34	I26-T30 PolarHBondContact O-N 2.7Å; I26-T30 PolarHBondContact O-OG1 2.76Å; V27-T30 VanDerWaalsContact CA-OG1 3.32Å; V27-T30 WeakPolarHBondContact CA-OG1 3.33Å; V27-T30 PolarHBondContact O-N 2.68Å; V27-T30 PolarHBondContact O-OG1 3.32Å; T30-F33 PolarHBondContact O-N 3.25Å; T30-F34 WeakPolarHBondContact O-CD2 3.49Å; T30-F34 PolarHBondContact O-N 3.04Å
31	F	72.6	Confident	61.8	Low	122 Å²	122	104.4 Å²	104.4	54%	0.535	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-40.4	177.2	-172.4	-105.5	0	0	0	112.1	V27 F28 V29 F33 F34 I35	V27-F31 VanDerWaalsContact O-CB 3.27Å; V27-F31 WeakPolarHBondContact O-CB 3.49Å; V27-F31 PolarHBondContact O-N 3Å; F28-F31 PolarHBondContact O-N 3.41Å; V29-F31 VanDerWaalsContact C-N 3.33Å; V29-F31 PolarHBondContact O-N 2.75Å; F31-F33 VanDerWaalsContact C-N 3.33Å; F31-F33 PolarHBondContact O-N 3.41Å; F31-F34 PolarHBondContact O-N 2.88Å; F31-I35 HydrophobicContact CD1-CD1 3.76Å; F31-I35 HydrophobicContact CE1-CD1 3.32Å; F31-I35 HydrophobicContact CE1-CG1 4.29Å; F31-I35 HydrophobicContact CZ-CD1 3.83Å; F31-I35 HydrophobicContact CZ-CG1 4.49Å; F31-I35 WeakPolarHBondContact O-CG1 3.36Å; F31-I35 PolarHBondContact O-N 3.23Å
32	L	64.7	Low	60.6	Low	77 Å²	77	107.2 Å²	107.2	40%	0.403	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-35.4	173	-74.6	174.4	0	0	0	112.6	F28 V29 I35 Q36	F28-L32 HydrophobicContact CD1-CD1 3.78Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.45Å; F28-L32 VanDerWaalsContact CE1-CD1 3.45Å; F28-L32 HydrophobicContact CE1-CG 4.17Å; F28-L32 HydrophobicContact CZ-CD1 4.08Å; F28-L32 HydrophobicContact CZ-CG 4.41Å; F28-L32 WeakPolarHBondContact O-CG 3.32Å; F28-L32 PolarHBondContact O-N 3.29Å; V29-L32 PolarHBondContact O-N 3.44Å; L32-I35 PolarHBondContact O-N 2.69Å; L32-Q36 WeakPolarHBondContact O-CB 3.13Å; L32-Q36 PolarHBondContact O-N 2.92Å
33	F	67.3	Low	59.1	Low	131 Å²	131	108.2 Å²	108.2	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-67.2	-38.3	174.8	-159.1	-93.4	0	0	0	111.7	V29 T30 F31 Q36 W37	V29-F33 WeakPolarHBondContact O-CB 3.38Å; V29-F33 PolarHBondContact O-N 3.4Å; T30-F33 PolarHBondContact O-N 3.25Å; F31-F33 VanDerWaalsContact C-N 3.33Å; F31-F33 PolarHBondContact O-N 3.41Å; F33-Q36 PolarHBondContact O-N 3.26Å; F33-W37 HydrophobicContact CD1-CE3 4.15Å; F33-W37 AromaticContact CE1-CE3 3.73Å; F33-W37 HydrophobicContact CE1-CE3 3.73Å; F33-W37 HydrophobicContact CE1-CZ3 4.03Å; F33-W37 WeakPolarHBondContact O-CB 3.32Å; F33-W37 PolarHBondContact O-N 3.21Å
34	F	58.4	Low	57.8	Low	137 Å²	137	112.3 Å²	112.3	60%	0.601	59%	0.594	S	S	*	*	H	α-helix	trans	-67.9	-39.5	173.3	-84.8	-70.5	0	0	0	112.7	T30 F31 W37 E38	T30-F34 WeakPolarHBondContact O-CD2 3.49Å; T30-F34 PolarHBondContact O-N 3.04Å; F31-F34 PolarHBondContact O-N 2.88Å; F34-W37 PolarHBondContact O-N 3.39Å; F34-E38 PolarHBondContact O-N 2.64Å
35	I	61.3	Low	56	Low	71 Å²	71	116.9 Å²	116.9	36%	0.364	61%	0.608	S	S	.	*	H	α-helix	trans	-65.2	-41.5	174.1	-71.2	176.7	0	0	0	111.1	F31 L32 W37 E38 V39	F31-I35 HydrophobicContact CD1-CD1 3.76Å; F31-I35 HydrophobicContact CE1-CD1 3.32Å; F31-I35 HydrophobicContact CE1-CG1 4.29Å; F31-I35 HydrophobicContact CZ-CD1 3.83Å; F31-I35 HydrophobicContact CZ-CG1 4.49Å; F31-I35 WeakPolarHBondContact O-CG1 3.36Å; F31-I35 PolarHBondContact O-N 3.23Å; L32-I35 PolarHBondContact O-N 2.69Å; I35-W37 VanDerWaalsContact C-N 3.34Å; I35-E38 PolarHBondContact O-N 2.77Å; I35-V39 HydrophobicContact CG2-CG2 4.46Å; I35-V39 WeakPolarHBondContact O-CB 3.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.2Å; I35-V39 PolarHBondContact O-N 3.23Å
36	Q	45.3	Very low	54.8	Low	150 Å²	150	122.8 Å²	122.8	70%	0.701	63%	0.631	S	S	*	*	H	α-helix	trans	-69.1	-31.7	175.5	-83.1	-172.7	-41.4	0	0	112.7	L32 F33 G40	L32-Q36 WeakPolarHBondContact O-CB 3.13Å; L32-Q36 PolarHBondContact O-N 2.92Å; F33-Q36 PolarHBondContact O-N 3.26Å; Q36-G40 PolarHBondContact O-N 3.22Å
37	W	45	Very low	52.9	Low	170 Å²	170	122.8 Å²	122.8	64%	0.644	63%	0.632	S	S	*	*	H	α-helix	trans	-68.3	-45.7	172.9	-163.4	-40.7	0	0	0	111.1	F33 F34 I35 V39 G40 A41	F33-W37 HydrophobicContact CD1-CE3 4.15Å; F33-W37 AromaticContact CE1-CE3 3.73Å; F33-W37 HydrophobicContact CE1-CE3 3.73Å; F33-W37 HydrophobicContact CE1-CZ3 4.03Å; F33-W37 WeakPolarHBondContact O-CB 3.32Å; F33-W37 PolarHBondContact O-N 3.21Å; F34-W37 PolarHBondContact O-N 3.39Å; I35-W37 VanDerWaalsContact C-N 3.34Å; W37-V39 VanDerWaalsContact C-N 3.32Å; W37-V39 PolarHBondContact O-N 3.34Å; W37-G40 PolarHBondContact O-N 3.44Å; W37-A41 WeakPolarHBondContact O-CB 3.5Å; W37-A41 PolarHBondContact O-N 2.94Å
38	E	44.3	Very low	51.2	Low	144 Å²	144	123.3 Å²	123.3	67%	0.673	64%	0.637	S	S	*	*	H	α-helix	trans	-62.2	-37.4	176.6	-94.6	179.7	155.6	0	0	112.5	F34 I35	F34-E38 PolarHBondContact O-N 2.64Å; I35-E38 PolarHBondContact O-N 2.77Å
39	V	48	Very low	49.3	Very low	118 Å²	118	125 Å²	125	72%	0.715	64%	0.64	S	S	*	*	H	α-helix	trans	-76.5	-24.6	177.5	176.4	0	0	0	0	112.4	I35 W37	I35-V39 HydrophobicContact CG2-CG2 4.46Å; I35-V39 WeakPolarHBondContact O-CB 3.24Å; I35-V39 WeakPolarHBondContact O-CG2 3.2Å; I35-V39 PolarHBondContact O-N 3.23Å; W37-V39 VanDerWaalsContact C-N 3.32Å; W37-V39 PolarHBondContact O-N 3.34Å
40	G	37.5	Very low	47.6	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	65%	0.645	S	S	*	*	H	α-helix	trans	-86.2	-14.4	179.7	0	0	0	0	0	115.5	Q36 W37	Q36-G40 PolarHBondContact O-N 3.22Å; W37-G40 PolarHBondContact O-N 3.44Å
41	A	38.3	Very low	46.2	Very low	68 Å²	68	131.3 Å²	131.3	56%	0.562	66%	0.66	S	S	*	*	S	Bend	trans	-106.2	1.6	-172.1	0	0	0	0	0	115.4	W37	W37-A41 WeakPolarHBondContact O-CB 3.5Å; W37-A41 PolarHBondContact O-N 2.94Å
42	Q	35.8	Very low	44.5	Very low	170 Å²	170	130.2 Å²	130.2	79%	0.794	66%	0.656	S	S	*	*			trans	-112.6	78	175.4	-95.2	175.1	-32.1	0	0	111.3
43	S	38.9	Very low	43.2	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	66%	0.659	S	S	*	*			trans	-109.2	133.7	149.4	71.9	0	0	0	0	108.3
44	Q	40.6	Very low	42.1	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.864	65%	0.651	S	S	*	*	S	Bend	trans	74.8	82.4	176.4	-59.1	-175.7	-35.2	0	0	118
45	Q	34.5	Very low	41.5	Very low	196 Å²	196	125.4 Å²	125.4	92%	0.916	65%	0.651	S	S	*	*				-177.6	134.6	126.7	-106.3	170	-32.1	0	0	110.9
46	E	43.3	Very low	40.6	Very low	200 Å²	200	128.1 Å²	128.1	94%	0.935	66%	0.661	S	S	*	*			trans	-67.8	123.6	178.8	-67.8	-178.1	150.2	0	0	111.7
47	D	39.6	Very low	40.7	Very low	103 Å²	103	130.1 Å²	130.1	55%	0.551	66%	0.662	S	S	*	*			trans	-98.8	122.7	-173.9	-138.6	-22.6	0	0	0	112.2	W49 L50	D47-W49 PolarHBondContact O-N 2.91Å; D47-L50 PolarHBondContact O-N 2.7Å
48	P	39.2	Very low	40.6	Very low	100 Å²	100	127.2 Å²	127.2	65%	0.649	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-14.5	-177.2	-25.8	34.8	0	0	0	116	L50 K51 E52	P48-L50 PolarHBondContact O-N 2.73Å; P48-K51 PolarHBondContact O-N 3.22Å; P48-E52 PolarHBondContact O-N 2.94Å
49	W	33.7	Very low	40.5	Very low	159 Å²	159	123.4 Å²	123.4	60%	0.602	65%	0.648	S	S	*	*	H	α-helix	trans	-68.7	-30.5	-179.1	-174.4	77.4	0	0	0	113.5	D47 K51 E52 M53	D47-W49 PolarHBondContact O-N 2.91Å; W49-K51 VanDerWaalsContact C-N 3.35Å; W49-K51 PolarHBondContact O-N 3.17Å; W49-E52 PolarHBondContact O-N 2.89Å; W49-E52 VanDerWaalsContact O-N 3.16Å; W49-M53 HydrophobicContact CD2-CG 4.37Å; W49-M53 HydrophobicContact CD2-SD 4.35Å; W49-M53 HydrophobicContact CE3-CG 4.44Å; W49-M53 HydrophobicContact CE3-SD 3.97Å; W49-M53 HydrophobicContact CH2-CE 4.38Å; W49-M53 HydrophobicContact CH2-CG 4.25Å; W49-M53 HydrophobicContact CH2-SD 3.18Å; W49-M53 WeakPolarHBondContact CH2-SD 3.41Å; W49-M53 HydrophobicContact CZ2-CG 4.13Å; W49-M53 HydrophobicContact CZ2-SD 3.61Å; W49-M53 HydrophobicContact CZ3-CG 4.38Å; W49-M53 HydrophobicContact CZ3-SD 3.37Å; W49-M53 WeakPolarHBondContact CZ3-SD 3.49Å; W49-M53 PolarHBondContact O-N 2.88Å
50	L	39.3	Very low	40	Very low	118 Å²	118	124.5 Å²	124.5	62%	0.618	65%	0.647	S	S	*	*	H	α-helix	trans	-67.4	-34.3	177	-77.2	165.1	0	0	0	112.4	D47 P48 E52 M53 A54	D47-L50 PolarHBondContact O-N 2.7Å; P48-L50 PolarHBondContact O-N 2.73Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-M53 PolarHBondContact O-N 3.12Å; L50-A54 PolarHBondContact O-N 3.09Å
51	K	42.6	Very low	40.4	Very low	167 Å²	167	126 Å²	126	73%	0.726	64%	0.638	S	S	*	*	H	α-helix	trans	-65.7	-38	171.5	-95.7	179.5	176.2	171	0	111.4	P48 W49 A54 V55	P48-K51 PolarHBondContact O-N 3.22Å; W49-K51 VanDerWaalsContact C-N 3.35Å; W49-K51 PolarHBondContact O-N 3.17Å; K51-A54 PolarHBondContact O-N 2.99Å; K51-V55 WeakPolarHBondContact O-CB 3.48Å; K51-V55 VanDerWaalsContact O-CG2 3.26Å; K51-V55 WeakPolarHBondContact O-CG2 3.31Å; K51-V55 PolarHBondContact O-N 3.09Å
52	E	37.9	Very low	40.7	Very low	99 Å²	99	124.8 Å²	124.8	46%	0.463	63%	0.632	S	S	.	*	H	α-helix	trans	-70.2	-34.1	179.5	-145.4	-165.2	138.3	0	0	112.3	P48 W49 L50 K56	P48-E52 PolarHBondContact O-N 2.94Å; W49-E52 PolarHBondContact O-N 2.89Å; W49-E52 VanDerWaalsContact O-N 3.16Å; L50-E52 VanDerWaalsContact C-N 3.34Å; E52-K56 VanDerWaalsContact O-CB 3.3Å; E52-K56 WeakPolarHBondContact O-CB 3.26Å; E52-K56 WeakPolarHBondContact O-CG 3.35Å; E52-K56 PolarHBondContact O-N 3.37Å; E52-K56 IonicContact OE1-NZ 3.72Å; E52-K56 PolarHBondContact OE1-NZ 3.45Å
53	M	35.8	Very low	41.1	Very low	96 Å²	96	123.1 Å²	123.1	47%	0.473	63%	0.626	S	S	.	*	H	α-helix	trans	-69.9	-38.5	171.6	-76.6	-164.6	80.6	0	0	113.1	W49 L50 K56 R57	W49-M53 HydrophobicContact CD2-CG 4.37Å; W49-M53 HydrophobicContact CD2-SD 4.35Å; W49-M53 HydrophobicContact CE3-CG 4.44Å; W49-M53 HydrophobicContact CE3-SD 3.97Å; W49-M53 HydrophobicContact CH2-CE 4.38Å; W49-M53 HydrophobicContact CH2-CG 4.25Å; W49-M53 HydrophobicContact CH2-SD 3.18Å; W49-M53 WeakPolarHBondContact CH2-SD 3.41Å; W49-M53 HydrophobicContact CZ2-CG 4.13Å; W49-M53 HydrophobicContact CZ2-SD 3.61Å; W49-M53 HydrophobicContact CZ3-CG 4.38Å; W49-M53 HydrophobicContact CZ3-SD 3.37Å; W49-M53 WeakPolarHBondContact CZ3-SD 3.49Å; W49-M53 PolarHBondContact O-N 2.88Å; L50-M53 PolarHBondContact O-N 3.12Å; M53-K56 PolarHBondContact O-N 3.41Å; M53-R57 VanDerWaalsContact O-CB 3.3Å; M53-R57 WeakPolarHBondContact O-CB 3.24Å; M53-R57 PolarHBondContact O-N 2.82Å
54	A	44.3	Very low	41.4	Very low	48 Å²	48	122.4 Å²	122.4	40%	0.397	62%	0.617	S	S	.	*	H	α-helix	trans	-64.7	-43.7	175.3	0	0	0	0	0	111.3	L50 K51 R57 D58	L50-A54 PolarHBondContact O-N 3.09Å; K51-A54 PolarHBondContact O-N 2.99Å; A54-R57 PolarHBondContact O-N 2.77Å; A54-D58 PolarHBondContact O-N 3.19Å
55	V	45.9	Very low	41.9	Very low	100 Å²	100	118 Å²	118	61%	0.606	60%	0.599	S	S	*	*	H	α-helix	trans	-66.8	-37.9	175.5	173.8	0	0	0	0	111.7	K51 R57 S59	K51-V55 WeakPolarHBondContact O-CB 3.48Å; K51-V55 VanDerWaalsContact O-CG2 3.26Å; K51-V55 WeakPolarHBondContact O-CG2 3.31Å; K51-V55 PolarHBondContact O-N 3.09Å; V55-R57 VanDerWaalsContact C-N 3.35Å; V55-S59 WeakPolarHBondContact O-CB 3.35Å; V55-S59 PolarHBondContact O-N 2.93Å
56	K	41.9	Very low	42.3	Very low	129 Å²	129	110 Å²	110	56%	0.561	57%	0.569	S	S	*	*	H	α-helix	trans	-66.6	-34	172.2	-84.3	171.6	175.5	151.6	0	112.5	E52 M53 M60	E52-K56 VanDerWaalsContact O-CB 3.3Å; E52-K56 WeakPolarHBondContact O-CB 3.26Å; E52-K56 WeakPolarHBondContact O-CG 3.35Å; E52-K56 PolarHBondContact O-N 3.37Å; E52-K56 IonicContact OE1-NZ 3.72Å; E52-K56 PolarHBondContact OE1-NZ 3.45Å; M53-K56 PolarHBondContact O-N 3.41Å; K56-M60 WeakPolarHBondContact O-CB 3.39Å; K56-M60 PolarHBondContact O-N 3.36Å
57	R	47.5	Very low	42.4	Very low	192 Å²	192	102.6 Å²	102.6	73%	0.725	54%	0.542	S	S	*	.	H	α-helix	trans	-70.6	-43.5	175.4	-171.1	-179.2	178.9	176.2	-1.1	111.7	M53 A54 V55 S59 M60 L61	M53-R57 VanDerWaalsContact O-CB 3.3Å; M53-R57 WeakPolarHBondContact O-CB 3.24Å; M53-R57 PolarHBondContact O-N 2.82Å; A54-R57 PolarHBondContact O-N 2.77Å; V55-R57 VanDerWaalsContact C-N 3.35Å; R57-S59 VanDerWaalsContact C-N 3.34Å; R57-M60 PolarHBondContact O-N 3.4Å; R57-L61 WeakPolarHBondContact O-CB 3.19Å; R57-L61 PolarHBondContact O-N 3.17Å
58	D	43.6	Very low	42.8	Very low	109 Å²	109	101.8 Å²	101.8	58%	0.583	54%	0.54	S	S	*	.	H	α-helix	trans	-69.2	-33.4	175.9	-72.3	-18.7	0	0	0	111.8	A54 L61 G62	A54-D58 PolarHBondContact O-N 3.19Å; D58-L61 PolarHBondContact O-N 2.9Å; D58-G62 PolarHBondContact O-N 3.01Å
59	S	41.3	Very low	43	Very low	63 Å²	63	100.8 Å²	100.8	44%	0.441	53%	0.53	S	S	.	.	H	α-helix	trans	-65.7	-42.1	170	179.7	0	0	0	0	112.1	V55 R57 G62 M63	V55-S59 WeakPolarHBondContact O-CB 3.35Å; V55-S59 PolarHBondContact O-N 2.93Å; R57-S59 VanDerWaalsContact C-N 3.34Å; S59-G62 PolarHBondContact O-N 3.42Å; S59-M63 WeakPolarHBondContact O-CG 3.46Å; S59-M63 PolarHBondContact O-N 2.92Å
60	M	38.6	Very low	43.3	Very low	141 Å²	141	98.5 Å²	98.5	70%	0.695	53%	0.529	S	S	*	.	H	α-helix	trans	-65.1	-41.5	172.2	-96.7	-165	-179.1	0	0	112	K56 R57 G62 M63 V64	K56-M60 WeakPolarHBondContact O-CB 3.39Å; K56-M60 PolarHBondContact O-N 3.36Å; R57-M60 PolarHBondContact O-N 3.4Å; M60-G62 VanDerWaalsContact C-N 3.33Å; M60-M63 PolarHBondContact O-N 3.03Å; M60-V64 WeakPolarHBondContact O-CB 3.43Å; M60-V64 VanDerWaalsContact O-CG2 3.24Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 2.97Å
61	L	46.3	Very low	43.3	Very low	99 Å²	99	100.1 Å²	100.1	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-40.3	177.2	-151.4	79.6	0	0	0	110.6	R57 D58 V64 I65	R57-L61 WeakPolarHBondContact O-CB 3.19Å; R57-L61 PolarHBondContact O-N 3.17Å; D58-L61 PolarHBondContact O-N 2.9Å; L61-V64 PolarHBondContact O-N 3.19Å; L61-I65 HydrophobicContact CD2-CD1 4.47Å; L61-I65 HydrophobicContact CG-CD1 4.27Å; L61-I65 WeakPolarHBondContact O-CB 3.43Å; L61-I65 WeakPolarHBondContact O-CD1 3.5Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.45Å
62	G	44.4	Very low	43.3	Very low	43 Å²	43	99 Å²	99	44%	0.443	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-38.8	172.2	0	0	0	0	0	113.2	D58 S59 M60 G66	D58-G62 PolarHBondContact O-N 3.01Å; S59-G62 PolarHBondContact O-N 3.42Å; M60-G62 VanDerWaalsContact C-N 3.33Å; G62-G66 PolarHBondContact O-N 3.48Å
63	M	43.2	Very low	43.4	Very low	136 Å²	136	102.6 Å²	102.6	67%	0.67	54%	0.544	S	S	*	.	H	α-helix	trans	-68.9	-37.2	172.2	-79.2	-170.8	-160.4	0	0	112.5	S59 M60 G66 A67	S59-M63 WeakPolarHBondContact O-CG 3.46Å; S59-M63 PolarHBondContact O-N 2.92Å; M60-M63 PolarHBondContact O-N 3.03Å; M63-G66 PolarHBondContact O-N 3.36Å; M63-A67 VanDerWaalsContact O-CB 3.23Å; M63-A67 WeakPolarHBondContact O-CB 3.5Å; M63-A67 PolarHBondContact O-N 3.4Å
64	V	46.7	Very low	43.5	Very low	87 Å²	87	101 Å²	101	53%	0.527	55%	0.546	S	S	.	.	H	α-helix	trans	-68.5	-42.8	176.1	170.9	0	0	0	0	110.5	M60 L61 A67 V68	M60-V64 WeakPolarHBondContact O-CB 3.43Å; M60-V64 VanDerWaalsContact O-CG2 3.24Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 2.97Å; L61-V64 PolarHBondContact O-N 3.19Å; V64-A67 PolarHBondContact O-N 3.46Å; V64-V68 WeakPolarHBondContact O-CB 3.33Å; V64-V68 WeakPolarHBondContact O-CG2 3.42Å; V64-V68 PolarHBondContact O-N 3.08Å
65	I	50.6	Low	43	Very low	92 Å²	92	106.5 Å²	106.5	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-40.9	174.5	-68.3	164.6	0	0	0	110.7	L61 V68 N69	L61-I65 HydrophobicContact CD2-CD1 4.47Å; L61-I65 HydrophobicContact CG-CD1 4.27Å; L61-I65 WeakPolarHBondContact O-CB 3.43Å; L61-I65 WeakPolarHBondContact O-CD1 3.5Å; L61-I65 WeakPolarHBondContact O-CG1 3.35Å; L61-I65 PolarHBondContact O-N 3.45Å; I65-V68 PolarHBondContact O-N 3.31Å; I65-N69 WeakPolarHBondContact O-CB 3.38Å; I65-N69 PolarHBondContact O-N 3.35Å; I65-N69 PolarHBondContact O-ND2 3.44Å
66	G	43.2	Very low	42.3	Very low	28 Å²	28	106.5 Å²	106.5	29%	0.289	56%	0.563	S	S	.	*	H	α-helix	trans	-62.8	-41.1	173.2	0	0	0	0	0	112.8	G62 M63 N69 N70	G62-G66 PolarHBondContact O-N 3.48Å; M63-G66 PolarHBondContact O-N 3.36Å; G66-N69 PolarHBondContact O-N 3.15Å; G66-N70 WeakPolarHBondContact O-CB 3.33Å; G66-N70 PolarHBondContact O-N 2.87Å
67	A	44.3	Very low	41.9	Very low	45 Å²	45	108.9 Å²	108.9	37%	0.372	57%	0.573	S	S	.	*	H	α-helix	trans	-65.9	-42.6	174.2	0	0	0	0	0	111.5	M63 V64 N69 N70 F71	M63-A67 VanDerWaalsContact O-CB 3.23Å; M63-A67 WeakPolarHBondContact O-CB 3.5Å; M63-A67 PolarHBondContact O-N 3.4Å; V64-A67 PolarHBondContact O-N 3.46Å; A67-N69 VanDerWaalsContact C-N 3.32Å; A67-N69 PolarHBondContact O-N 3.5Å; A67-N70 PolarHBondContact O-N 3.49Å; A67-F71 WeakPolarHBondContact O-CB 3.48Å; A67-F71 VanDerWaalsContact O-CD2 3.28Å; A67-F71 WeakPolarHBondContact O-CD2 3.21Å; A67-F71 PolarHBondContact O-N 3.28Å
68	V	48.4	Very low	41.3	Very low	86 Å²	86	107.6 Å²	107.6	52%	0.521	58%	0.577	S	S	.	*	H	α-helix	trans	-63.1	-37.4	175.5	170.6	0	0	0	0	111.7	V64 I65 F71 K72	V64-V68 WeakPolarHBondContact O-CB 3.33Å; V64-V68 WeakPolarHBondContact O-CG2 3.42Å; V64-V68 PolarHBondContact O-N 3.08Å; I65-V68 PolarHBondContact O-N 3.31Å; V68-F71 PolarHBondContact O-N 3.09Å; V68-K72 PolarHBondContact O-N 3.05Å; V68-K72 VanDerWaalsContact O-N 3.14Å
69	N	43.9	Very low	40.9	Very low	80 Å²	80	109.3 Å²	109.3	43%	0.428	58%	0.582	S	S	.	*	H	α-helix	trans	-73.7	-33.1	174.9	-76.2	-25.8	0	0	0	113	I65 G66 A67 K72	I65-N69 WeakPolarHBondContact O-CB 3.38Å; I65-N69 PolarHBondContact O-N 3.35Å; I65-N69 PolarHBondContact O-ND2 3.44Å; G66-N69 PolarHBondContact O-N 3.15Å; A67-N69 VanDerWaalsContact C-N 3.32Å; A67-N69 PolarHBondContact O-N 3.5Å; N69-K72 WeakPolarHBondContact O-CB 3.44Å; N69-K72 PolarHBondContact O-N 2.83Å
70	N	39.2	Very low	41	Very low	110 Å²	110	109.6 Å²	109.6	59%	0.588	58%	0.578	S	S	*	*	H	α-helix	trans	-71.5	-31.9	171.1	-75.9	-17.5	0	0	0	112.1	G66 A67 K72 Q73 A74	G66-N70 WeakPolarHBondContact O-CB 3.33Å; G66-N70 PolarHBondContact O-N 2.87Å; A67-N70 PolarHBondContact O-N 3.49Å; N70-K72 VanDerWaalsContact C-N 3.31Å; N70-K72 PolarHBondContact O-N 2.72Å; N70-Q73 PolarHBondContact O-N 2.95Å; N70-Q73 VanDerWaalsContact O-N 3.16Å; N70-A74 PolarHBondContact O-N 3.05Å
71	F	39.7	Very low	40.9	Very low	152 Å²	152	110.5 Å²	110.5	67%	0.667	58%	0.578	S	S	*	*	H	α-helix	trans	-69	-23.6	170.4	-94	-78.2	0	0	0	113.3	A67 V68 Q73 A74	A67-F71 WeakPolarHBondContact O-CB 3.48Å; A67-F71 VanDerWaalsContact O-CD2 3.28Å; A67-F71 WeakPolarHBondContact O-CD2 3.21Å; A67-F71 PolarHBondContact O-N 3.28Å; V68-F71 PolarHBondContact O-N 3.09Å; F71-Q73 PolarHBondContact O-N 3.43Å; F71-A74 CarbonylContact O-C 3.53Å; F71-A74 PolarHBondContact O-N 2.91Å
72	K	42	Very low	40.9	Very low	145 Å²	145	108.1 Å²	108.1	63%	0.63	57%	0.573	S	S	*	*	H	α-helix	trans	-63.6	-30.5	168.9	-89.6	-180	175.4	174.4	0	112.3	V68 N69 N70	V68-K72 PolarHBondContact O-N 3.05Å; V68-K72 VanDerWaalsContact O-N 3.14Å; N69-K72 WeakPolarHBondContact O-CB 3.44Å; N69-K72 PolarHBondContact O-N 2.83Å; N70-K72 VanDerWaalsContact C-N 3.31Å; N70-K72 PolarHBondContact O-N 2.72Å
73	Q	39.8	Very low	41.1	Very low	174 Å²	174	108.2 Å²	108.2	81%	0.813	57%	0.565	S	S	*	*	H	α-helix	trans	-83.8	-18.7	177.2	-65.7	-175.2	-5.4	0	0	112.9	N70 F71	N70-Q73 PolarHBondContact O-N 2.95Å; N70-Q73 VanDerWaalsContact O-N 3.16Å; F71-Q73 PolarHBondContact O-N 3.43Å
74	A	37.8	Very low	41.2	Very low	63 Å²	63	108 Å²	108	52%	0.521	57%	0.566	S	S	.	*	S	Bend	trans	-111.9	58.7	175.6	0	0	0	0	0	111.9	N70 F71 P76	N70-A74 PolarHBondContact O-N 3.05Å; F71-A74 CarbonylContact O-C 3.53Å; F71-A74 PolarHBondContact O-N 2.91Å; A74-P76 WeakPolarHBondContact O-CD 3.39Å
75	K	35.3	Very low	41.3	Very low	163 Å²	163	111.5 Å²	111.5	71%	0.709	57%	0.569	S	S	*	*			trans	-88.7	116.7	169.5	-83	-172.3	177.4	-178	0	110.7
76	P	30	Very low	40.8	Very low	100 Å²	100	115.4 Å²	115.4	65%	0.649	59%	0.586	S	S	*	*			trans	-63.1	131.5	137	13.6	-0.6	0	0	0	106.4	A74 M78	A74-P76 WeakPolarHBondContact O-CD 3.39Å; P76-M78 PolarHBondContact O-N 2.69Å
77	K	35.1	Very low	40.6	Very low	179 Å²	179	122.6 Å²	122.6	78%	0.778	61%	0.611	S	S	*	*			trans	-60.9	85.4	172	-71.4	177.5	178.2	176.6	0	109	Q79	K77-Q79 PolarHBondContact O-N 2.98Å
78	M	33.5	Very low	40.3	Very low	165 Å²	165	127.2 Å²	127.2	81%	0.813	63%	0.63	S	S	*	*			trans	-75.8	65.5	160.8	-69.7	-167.3	-171.8	0	0	107.9	P76 I80	P76-M78 PolarHBondContact O-N 2.69Å; M78-I80 PolarHBondContact O-N 3.39Å
79	Q	35.8	Very low	39.7	Very low	145 Å²	145	131.9 Å²	131.9	68%	0.678	65%	0.646	S	S	*	*			trans	-64	119.4	156.9	-79.5	174.2	-30.6	0	0	105.5	K77 K81	K77-Q79 PolarHBondContact O-N 2.98Å; Q79-K81 VanDerWaalsContact C-N 3.28Å; Q79-K81 PolarHBondContact O-N 3.41Å
80	I	43.9	Very low	39.6	Very low	69 Å²	69	133.4 Å²	133.4	35%	0.354	66%	0.661	S	S	.	*			trans	-56.8	108.8	153.3	-62.1	179.9	0	0	0	102.9	M78 A82 K481	M78-I80 PolarHBondContact O-N 3.39Å; I80-A82 PolarHBondContact O-N 3.14Å; I80-A82 VanDerWaalsContact O-N 3.12Å; I80-K481 HydrophobicContact CD1-CD 4.03Å; I80-K481 HydrophobicContact CD1-CG 4.4Å
81	K	35.9	Very low	39.6	Very low	159 Å²	159	132.1 Å²	132.1	69%	0.691	67%	0.673	S	S	*	*			trans	-59.1	122.1	169.6	-74.3	-175.5	177	-179.7	0	104.4	Q79 I84	Q79-K81 VanDerWaalsContact C-N 3.28Å; Q79-K81 PolarHBondContact O-N 3.41Å; K81-I84 HydrophobicContact CD-CD1 4.19Å
82	A	46.7	Very low	39.9	Very low	50 Å²	50	128.3 Å²	128.3	41%	0.413	68%	0.677	S	S	.	*			trans	-42.8	137.4	164.4	0	0	0	0	0	107.1	I80 I84	I80-A82 PolarHBondContact O-N 3.14Å; I80-A82 VanDerWaalsContact O-N 3.12Å; A82-I84 PolarHBondContact O-N 3.29Å
83	P	48	Very low	40.6	Very low	45 Å²	45	125.5 Å²	125.5	29%	0.292	68%	0.681	S	S	.	*			trans	-48.8	125	-173.8	1.9	-8.8	0	0	0	108.5	R85 Y296 T297	P83-R85 PolarHBondContact O-N 3.38Å; P83-R85 VanDerWaalsContact O-N 3.14Å; P83-Y296 WeakPolarHBondContact CA-OH 3.39Å; P83-Y296 WeakPolarHBondContact CB-OH 3.34Å; P83-Y296 WeakPolarHBondContact CG-OH 3.46Å; P83-Y296 WeakPolarHBondContact O-CE1 3.33Å; P83-Y296 PolarHBondContact O-OH 3.39Å; P83-T297 HydrophobicContact CG-CG2 4.41Å
84	I	45.6	Very low	41.7	Very low	131 Å²	131	121.4 Å²	121.4	67%	0.672	67%	0.671	S	S	*	*			trans	-74.7	112.7	179.3	-62.1	172	0	0	0	103.9	K81 A82 Q86	K81-I84 HydrophobicContact CD-CD1 4.19Å; A82-I84 PolarHBondContact O-N 3.29Å; I84-Q86 PolarHBondContact O-N 3.03Å
85	R	47.7	Very low	43.8	Very low	161 Å²	161	122.2 Å²	122.2	61%	0.608	67%	0.672	S	S	*	*			trans	-50.6	115.4	167.6	-171.6	176.6	-176	-173.8	0.3	106.1	P83 Q87	P83-R85 PolarHBondContact O-N 3.38Å; P83-R85 VanDerWaalsContact O-N 3.14Å; R85-Q87 PolarHBondContact O-N 3.21Å
86	Q	40.7	Very low	46.5	Very low	174 Å²	174	118.6 Å²	118.6	81%	0.813	66%	0.66	S	S	*	*			trans	-59.8	103.1	164.3	-85.5	179.2	-29.5	0	0	104.4	I84 D88	I84-Q86 PolarHBondContact O-N 3.03Å; Q86-D88 PolarHBondContact O-N 2.76Å
87	Q	39.8	Very low	49.5	Very low	178 Å²	178	119 Å²	119	83%	0.832	66%	0.663	S	S	*	*			trans	-66.7	93.9	165.7	-73.5	-178.4	-17.2	0	0	104.4	R85 E89	R85-Q87 PolarHBondContact O-N 3.21Å; Q87-E89 PolarHBondContact O-N 3.33Å
88	D	38.3	Very low	52.4	Low	142 Å²	142	112.6 Å²	112.6	76%	0.759	65%	0.647	S	S	*	*			trans	-49.7	132.4	154.5	-73.9	-34.9	0	0	0	106.4	Q86	Q86-D88 PolarHBondContact O-N 2.76Å
89	E	35.2	Very low	55.4	Low	185 Å²	185	108.6 Å²	108.6	86%	0.864	63%	0.627	S	S	*	*			trans	-45	131.7	179.2	-71.2	-163.9	154	0	0	109.6	Q87 G91	Q87-E89 PolarHBondContact O-N 3.33Å; E89-G91 VanDerWaalsContact C-N 3.33Å; E89-G91 PolarHBondContact O-N 3.41Å
90	P	41.7	Very low	58.4	Low	112 Å²	112	103.4 Å²	103.4	73%	0.727	60%	0.601	S	S	*	*			trans	-70.3	95.3	-173.3	27	-31.3	0	0	0	109.2	G92	P90-G92 PolarHBondContact O-N 3.13Å
91	G	39.6	Very low	60.9	Low	83 Å²	83	103.4 Å²	103.4	86%	0.856	60%	0.604	S	S	*	*	S	Bend	trans	-61.3	77.3	144.7	0	0	0	0	0	109.3	E89 A93	E89-G91 VanDerWaalsContact C-N 3.33Å; E89-G91 PolarHBondContact O-N 3.41Å; G91-A93 PolarHBondContact O-N 3.38Å
92	G	45.6	Very low	63.7	Low	72 Å²	72	100 Å²	100	74%	0.742	61%	0.606	S	S	*	*	S	Bend	trans	74.5	25.4	150.8	0	0	0	0	0	119.7	P90 S94	P90-G92 PolarHBondContact O-N 3.13Å; G92-S94 PolarHBondContact O-N 3.08Å; G92-S94 VanDerWaalsContact O-N 3.08Å
93	A	56.4	Low	66.1	Low	86 Å²	86	100.5 Å²	100.5	71%	0.711	61%	0.61	S	S	*	*			trans	-75.9	96.4	167.2	0	0	0	0	0	110.3	G91 C95	G91-A93 PolarHBondContact O-N 3.38Å; A93-C95 PolarHBondContact O-N 3.3Å
94	S	63.7	Low	68.4	Low	88 Å²	88	101.3 Å²	101.3	62%	0.615	61%	0.61	S	S	*	*			trans	-58.8	93.9	176.5	166.6	0	0	0	0	111.9	G92 L96	G92-S94 PolarHBondContact O-N 3.08Å; G92-S94 VanDerWaalsContact O-N 3.08Å; S94-L96 PolarHBondContact O-N 3.44Å; S94-L96 VanDerWaalsContact OG-CD2 3.3Å; S94-L96 WeakPolarHBondContact OG-CD2 3.44Å
95	C	81.4	Confident	70.9	Confident	80 Å²	80	96.6 Å²	96.6	54%	0.541	59%	0.586	S	S	.	*			trans	-67.5	95.5	167.2	163.9	0	0	0	0	108.8	A93 C179	A93-C95 PolarHBondContact O-N 3.3Å; C95-C179 HydrophobicContact CB-CB 4.12Å; C95-C179 WeakPolarHBondContact CB-SG 3.43Å; C95-C179 WeakPolarHBondContact SG-CB 3.47Å; C95-C179 CovalentContact SG-SG 2.02Å; C95-C179 PolarHBondContact SG-SG 2.81Å
96	L	91.1	Very high	73.3	Confident	86 Å²	86	96.1 Å²	96.1	45%	0.45	58%	0.584	S	S	.	*			trans	-76.3	142	178.4	-65.4	174.8	0	0	0	110.2	S94 R178	S94-L96 PolarHBondContact O-N 3.44Å; S94-L96 VanDerWaalsContact OG-CD2 3.3Å; S94-L96 WeakPolarHBondContact OG-CD2 3.44Å; L96-R178 HydrophobicContact CB-CB 3.99Å; L96-R178 VanDerWaalsContact O-CB 3.28Å; L96-R178 WeakPolarHBondContact O-CB 3.1Å
97	P	93.6	Very high	76	Confident	109 Å²	109	90 Å²	90	71%	0.708	56%	0.56	S	S	*	*			trans	-75.3	165.1	174.5	31.5	-34.9	0	0	0	112.2	R178	P97-R178 PolarHBondContact O-NH1 3.36Å; P97-R178 VanDerWaalsContact O-NH1 3.09Å
98	G	95.6	Very high	78.7	Confident	44 Å²	44	83.4 Å²	83.4	45%	0.454	54%	0.535	S	S	.	.	S	Bend	trans	79.8	-160.1	173.8	0	0	0	0	0	114.3	R178	G98-R178 PolarHBondContact O-N 3.43Å
99	H	97.8	Very high	81.5	Confident	82 Å²	82	79.7 Å²	79.7	38%	0.38	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-117	152	-176.7	-59.2	82.9	0	0	0	110.6	T175 F176 R178	H99-T175 PolarHBondContact CD2-OG1 2.92Å; H99-F176 CarbonylContact C-O 3.03Å; H99-F176 WeakPolarHBondContact CA-O 3.29Å; H99-F176 WeakPolarHBondContact CB-O 3.09Å; H99-R178 PolarHBondContact O-NH1 2.84Å; H99-R178 PolarHBondContact O-NH2 3.25Å; H99-R178 VanDerWaalsContact O-NH2 3.15Å
100	Y	97.7	Very high	84.4	Confident	36 Å²	36	77.9 Å²	77.9	14%	0.141	51%	0.506	C	S	.	.			trans	-60.3	139.8	171.4	-68.5	-87.1	0	0	0	110.4	E104 L105 F176 K177 R178 L182 I213	Y100-E104 HydrophobicContact CD1-CB 4.29Å; Y100-L105 HydrophobicContact CD1-CD2 4.46Å; Y100-L105 HydrophobicContact CG-CD2 4.29Å; Y100-F176 HydrophobicContact CD2-CB 4.15Å; Y100-F176 WeakPolarHBondContact CD2-O 3.14Å; Y100-F176 PolarHBondContact N-O 3.47Å; Y100-K177 WeakPolarHBondContact CE2-O 3.44Å; Y100-R178 HydrophobicContact CD1-CG 4.18Å; Y100-R178 HydrophobicContact CD2-CG 3.92Å; Y100-R178 HydrophobicContact CE1-CG 4.18Å; Y100-R178 HydrophobicContact CE2-CB 4.26Å; Y100-R178 HydrophobicContact CE2-CG 3.9Å; Y100-R178 HydrophobicContact CG-CG 4.06Å; Y100-L182 HydrophobicContact CD2-CD1 3.97Å; Y100-L182 HydrophobicContact CD2-CG 4.23Å; Y100-L182 HydrophobicContact CE2-CB 4.17Å; Y100-L182 HydrophobicContact CE2-CD1 3.85Å; Y100-L182 HydrophobicContact CE2-CG 3.66Å; Y100-L182 PolarHBondContact OH-N 2.82Å; Y100-I213 HydrophobicContact CD1-CD1 3.85Å; Y100-I213 HydrophobicContact CE1-CD1 3.71Å
101	T	97.6	Very high	87.1	Confident	68 Å²	68	75.4 Å²	75.4	42%	0.417	48%	0.483	S	S	.	.			trans	-86.7	158.3	173.9	63.9	0	0	0	0	110.6	A103 E104 L105	T101-A103 PolarHBondContact O-N 3.41Å; T101-A103 VanDerWaalsContact O-N 3.15Å; T101-E104 WeakPolarHBondContact CB-OE2 3.4Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.39Å; T101-E104 PolarHBondContact N-OE2 2.03Å; T101-E104 PolarHBondContact O-N 2.86Å; T101-E104 WeakPolarHBondContact OG1-CG 3.35Å; T101-E104 PolarHBondContact OG1-N 2.66Å; T101-E104 PolarHBondContact OG1-OE2 3.16Å; T101-L105 PolarHBondContact O-N 2.74Å; T101-L105 VanDerWaalsContact O-N 3.08Å
102	A	94.9	Very high	89.8	Confident	89 Å²	89	74.4 Å²	74.4	74%	0.736	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.3	173.6	0	0	0	0	0	113.1	L105 R106	A102-L105 PolarHBondContact O-N 2.85Å; A102-R106 PolarHBondContact O-N 3.39Å
103	A	96.3	Very high	92.2	Very high	59 Å²	59	77.4 Å²	77.4	49%	0.488	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-36.3	175.8	0	0	0	0	0	112.6	T101 L105 R106	T101-A103 PolarHBondContact O-N 3.41Å; T101-A103 VanDerWaalsContact O-N 3.15Å; A103-L105 VanDerWaalsContact C-N 3.34Å; A103-R106 WeakPolarHBondContact O-CG 3.25Å
104	E	96.9	Very high	94	Very high	63 Å²	63	75.5 Å²	75.5	29%	0.294	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.5	173.5	-73	160.4	109.3	0	0	111.7	Y100 T101 R106 R178 I213	Y100-E104 HydrophobicContact CD1-CB 4.29Å; T101-E104 WeakPolarHBondContact CB-OE2 3.4Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.39Å; T101-E104 PolarHBondContact N-OE2 2.03Å; T101-E104 PolarHBondContact O-N 2.86Å; T101-E104 WeakPolarHBondContact OG1-CG 3.35Å; T101-E104 PolarHBondContact OG1-N 2.66Å; T101-E104 PolarHBondContact OG1-OE2 3.16Å; E104-R106 VanDerWaalsContact C-N 3.28Å; E104-R106 PolarHBondContact O-N 2.8Å; E104-R178 VanDerWaalsContact CD-NH2 3.28Å; E104-R178 IonicContact OE1-CZ 3.01Å; E104-R178 IonicContact OE1-NE 3.05Å; E104-R178 PolarHBondContact OE1-NE 3.16Å; E104-R178 IonicContact OE1-NH2 3.99Å; E104-R178 PolarHBondContact OE1-NH2 3.27Å; E104-R178 VanDerWaalsContact OE1-NH2 3.07Å; E104-R178 IonicContact OE2-CZ 3.47Å; E104-R178 IonicContact OE2-NE 3.81Å; E104-R178 IonicContact OE2-NH2 3.07Å; E104-R178 PolarHBondContact OE2-NH2 3.47Å; E104-I213 HydrophobicContact CB-CD1 4.37Å
105	L	97.6	Very high	95.5	Very high	32 Å²	32	75.3 Å²	75.3	17%	0.168	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	22.3	179.7	-61.3	177.7	0	0	0	113.9	Y100 T101 A102 A103 F176 P211 I213 L214 E286	Y100-L105 HydrophobicContact CD1-CD2 4.46Å; Y100-L105 HydrophobicContact CG-CD2 4.29Å; T101-L105 PolarHBondContact O-N 2.74Å; T101-L105 VanDerWaalsContact O-N 3.08Å; A102-L105 PolarHBondContact O-N 2.85Å; A103-L105 VanDerWaalsContact C-N 3.34Å; L105-F176 HydrophobicContact CD1-CD2 4.11Å; L105-P211 HydrophobicContact CB-CB 4.4Å; L105-P211 HydrophobicContact CB-CG 4.19Å; L105-P211 HydrophobicContact CD2-CB 4.11Å; L105-P211 HydrophobicContact CD2-CG 4.09Å; L105-I213 HydrophobicContact CD2-CD1 4.22Å; L105-L214 HydrophobicContact CD2-CD1 4.4Å; L105-E286 HydrophobicContact CD1-CG 4.44Å; L105-E286 HydrophobicContact CD2-CG 4.38Å
106	R	97.5	Very high	96.1	Very high	151 Å²	151	76.3 Å²	76.3	57%	0.57	44%	0.441	S	S	*	.			trans	-64	143.1	174.6	-76.4	179.8	-173.4	176.8	3.8	111.4	A102 A103 E104 P211 A212	A102-R106 PolarHBondContact O-N 3.39Å; A103-R106 WeakPolarHBondContact O-CG 3.25Å; E104-R106 VanDerWaalsContact C-N 3.28Å; E104-R106 PolarHBondContact O-N 2.8Å; R106-P211 CarbonylContact O-C 3.52Å; R106-P211 VanDerWaalsContact O-CA 3.3Å; R106-P211 WeakPolarHBondContact O-CA 3.38Å; R106-A212 PolarHBondContact O-N 3.05Å
107	P	97.7	Very high	96.3	Very high	46 Å²	46	79.6 Å²	79.6	30%	0.299	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-65.8	159.1	-177.6	28.6	-35.8	0	0	0	112.3	L109 H208 S210	P107-L109 PolarHBondContact O-N 2.95Å; P107-H208 VanDerWaalsContact CB-O 3.27Å; P107-H208 WeakPolarHBondContact CB-O 3.32Å; P107-S210 CarbonylContact C-O 3.49Å; P107-S210 VanDerWaalsContact CA-O 3.28Å; P107-S210 WeakPolarHBondContact CA-O 3.42Å
108	A	96.3	Very high	96.4	Very high	38 Å²	38	76.7 Å²	76.7	31%	0.314	44%	0.441	S	S	.	.	S	Bend	trans	-61.7	-29.7	176.3	0	0	0	0	0	113.2	L207 S210 A212 L215 I243	A108-L207 HydrophobicContact CB-CD2 4.26Å; A108-L207 PolarHBondContact N-O 2.97Å; A108-S210 PolarHBondContact N-O 3.21Å; A108-A212 HydrophobicContact CB-CB 4.45Å; A108-L215 HydrophobicContact CB-CD2 3.94Å; A108-I243 HydrophobicContact CB-CD1 4.31Å
109	L	97.2	Very high	96.5	Very high	65 Å²	65	76.9 Å²	76.9	34%	0.34	43%	0.434	S	S	.	.	S	Bend	trans	-140.4	122.8	176.1	-177.1	64.4	0	0	0	110.5	P107 R111 Y204 L207 H208	P107-L109 PolarHBondContact O-N 2.95Å; L109-R111 PolarHBondContact O-N 2.82Å; L109-Y204 HydrophobicContact CD2-CD1 4.03Å; L109-Y204 HydrophobicContact CD2-CE1 4Å; L109-L207 HydrophobicContact CB-CB 3.92Å; L109-L207 HydrophobicContact CD2-CB 4.34Å; L109-L207 HydrophobicContact CD2-CD1 4.35Å; L109-L207 PolarHBondContact N-O 3.41Å; L109-H208 WeakPolarHBondContact O-CA 3.19Å; L109-H208 PolarHBondContact O-ND1 3.41Å
110	E	96.9	Very high	96.5	Very high	146 Å²	146	73.2 Å²	73.2	68%	0.682	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.8	134.1	174.5	-68.1	-171.6	173.4	0	0	111
111	R	97.2	Very high	96.5	Very high	61 Å²	61	71.9 Å²	71.9	23%	0.23	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-72.4	128.6	177.4	-173.9	-179.9	-75.4	139	-0.1	109.2	L109 S159 R160 H208	L109-R111 PolarHBondContact O-N 2.82Å; R111-S159 VanDerWaalsContact CD-O 3.25Å; R111-S159 WeakPolarHBondContact CD-O 3.19Å; R111-S159 WeakPolarHBondContact CG-O 3.44Å; R111-S159 PolarHBondContact NE-O 2.66Å; R111-R160 PolarHBondContact NE-O 2.75Å; R111-H208 WeakPolarHBondContact CA-ND1 3.37Å; R111-H208 HydrophobicContact CB-CB 4.35Å
112	P	96.8	Very high	96.5	Very high	61 Å²	61	69.6 Å²	69.6	40%	0.396	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-64.5	154.8	175.4	24.8	-31.5	0	0	0	111	Q114	P112-Q114 PolarHBondContact O-N 3.41Å; P112-Q114 PolarHBondContact O-NE2 3.24Å
113	P	95.5	Very high	96.6	Very high	135 Å²	135	65.4 Å²	65.4	88%	0.877	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-54.6	130	173.3	-24.5	34	0	0	0	111.2
114	Q	94.4	Very high	96.7	Very high	47 Å²	47	68.6 Å²	68.6	22%	0.22	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-97.6	146.2	179.7	-60	-57.5	-66.5	0	0	110.6	P112 P116 S157 S159 D161	P112-Q114 PolarHBondContact O-N 3.41Å; P112-Q114 PolarHBondContact O-NE2 3.24Å; Q114-P116 WeakPolarHBondContact O-CD 3.2Å; Q114-S157 PolarHBondContact OE1-OG 3.25Å; Q114-S157 VanDerWaalsContact OE1-OG 3.11Å; Q114-S159 VanDerWaalsContact CD-O 3.27Å; Q114-S159 PolarHBondContact NE2-O 2.89Å; Q114-S159 PolarHBondContact OE1-O 3.42Å; Q114-D161 VanDerWaalsContact CB-OD2 3.26Å; Q114-D161 WeakPolarHBondContact CB-OD2 3.36Å; Q114-D161 HydrophobicContact CG-CB 4.31Å; Q114-D161 VanDerWaalsContact CG-OD2 3.28Å; Q114-D161 WeakPolarHBondContact CG-OD2 3.5Å
115	N	94.9	Very high	96.8	Very high	84 Å²	84	67.7 Å²	67.7	45%	0.449	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-82.4	118.5	170.9	176.1	2.6	0	0	0	109.3	L117 S118 A121	N115-L117 PolarHBondContact O-N 3.41Å; N115-L117 WeakPolarHBondContact OD1-CB 3.46Å; N115-L117 PolarHBondContact OD1-N 2.83Å; N115-S118 WeakPolarHBondContact CB-OG 3.4Å; N115-S118 WeakPolarHBondContact O-CB 3.31Å; N115-S118 PolarHBondContact O-N 2.93Å; N115-A121 WeakPolarHBondContact O-CB 3.46Å
116	P	94.8	Very high	96.8	Very high	100 Å²	100	68.2 Å²	68.2	65%	0.649	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.9	-179.6	-23.1	34.2	0	0	0	114.9	Q114	Q114-P116 WeakPolarHBondContact O-CD 3.2Å
117	L	95	Very high	96.6	Very high	156 Å²	156	66.7 Å²	66.7	82%	0.817	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.1	178.4	-58.1	177.4	0	0	0	113.2	N115	N115-L117 PolarHBondContact O-N 3.41Å; N115-L117 WeakPolarHBondContact OD1-CB 3.46Å; N115-L117 PolarHBondContact OD1-N 2.83Å
118	S	96.6	Very high	96.4	Very high	48 Å²	48	64.9 Å²	64.9	34%	0.336	36%	0.359	S	S	.	.	S	Bend	trans	-67.5	150.6	177.6	-76.2	0	0	0	0	111.7	N115 G120 A121	N115-S118 WeakPolarHBondContact CB-OG 3.4Å; N115-S118 WeakPolarHBondContact O-CB 3.31Å; N115-S118 PolarHBondContact O-N 2.93Å; S118-G120 PolarHBondContact O-N 3.03Å; S118-A121 WeakPolarHBondContact O-CB 3.24Å; S118-A121 PolarHBondContact O-N 2.97Å; S118-A121 VanDerWaalsContact O-N 3.09Å
119	P	97.3	Very high	96	Very high	48 Å²	48	69.1 Å²	69.1	31%	0.312	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	129.7	174.5	-27.3	35.5	0	0	0	112.1	A121 F126 V156	P119-A121 PolarHBondContact O-N 3.44Å; P119-F126 HydrophobicContact CB-CD1 4.16Å; P119-F126 HydrophobicContact CB-CD2 3.75Å; P119-F126 HydrophobicContact CB-CE1 4.28Å; P119-F126 HydrophobicContact CB-CE2 3.88Å; P119-F126 HydrophobicContact CB-CG 3.9Å; P119-F126 HydrophobicContact CB-CZ 4.16Å; P119-F126 HydrophobicContact CG-CD2 4.47Å; P119-F126 HydrophobicContact CG-CE2 4.17Å; P119-F126 HydrophobicContact CG-CZ 4.38Å; P119-V156 HydrophobicContact CB-CG2 4.4Å
120	G	97.5	Very high	95.7	Very high	4 Å²	4	71.8 Å²	71.8	4%	0.041	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	12.1	178.6	0	0	0	0	0	115.8	S118 G123 K124 R160	S118-G120 PolarHBondContact O-N 3.03Å; G120-G123 PolarHBondContact O-N 2.74Å; G120-K124 WeakPolarHBondContact CA-O 3.28Å; G120-R160 WeakPolarHBondContact O-CD 3.34Å; G120-R160 PolarHBondContact O-NH1 3.06Å; G120-R160 VanDerWaalsContact O-NH1 3.16Å
121	A	97.6	Very high	95.6	Very high	8 Å²	8	66.7 Å²	66.7	7%	0.066	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-57.6	143.2	179.3	0	0	0	0	0	111.7	N115 S118 P119 G123 K124	N115-A121 WeakPolarHBondContact O-CB 3.46Å; S118-A121 WeakPolarHBondContact O-CB 3.24Å; S118-A121 PolarHBondContact O-N 2.97Å; S118-A121 VanDerWaalsContact O-N 3.09Å; P119-A121 PolarHBondContact O-N 3.44Å; A121-G123 PolarHBondContact O-N 3.3Å; A121-G123 VanDerWaalsContact O-N 3.15Å; A121-K124 WeakPolarHBondContact O-CB 3.42Å; A121-K124 WeakPolarHBondContact O-CG 3.4Å; A121-K124 PolarHBondContact O-N 2.95Å
122	A	97.4	Very high	95.6	Very high	20 Å²	20	65.9 Å²	65.9	17%	0.165	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	54.8	25.2	-175.7	0	0	0	0	0	114.6	K124 D161 L162 K316	A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 2.92Å; A122-D161 CarbonylContact C-O 3.5Å; A122-D161 WeakPolarHBondContact CA-O 3.42Å; A122-D161 WeakPolarHBondContact CA-OD1 3.32Å; A122-D161 PolarHBondContact N-O 2.9Å; A122-L162 CarbonylContact O-C 3.59Å; A122-K316 WeakPolarHBondContact O-CE 3.39Å; A122-K316 PolarHBondContact O-NZ 3.42Å
123	G	97.8	Very high	95.5	Very high	2 Å²	2	67.9 Å²	67.9	2%	0.021	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	74.2	14.4	-179	0	0	0	0	0	115.2	G120 A121 D161 F314	G120-G123 PolarHBondContact O-N 2.74Å; A121-G123 PolarHBondContact O-N 3.3Å; A121-G123 VanDerWaalsContact O-N 3.15Å; G123-D161 PolarHBondContact N-O 3.49Å; G123-F314 PolarHBondContact O-N 3.07Å
124	K	98.1	Very high	95.6	Very high	126 Å²	126	68.2 Å²	68.2	55%	0.548	38%	0.384	S	S	.	.			trans	-70.5	157.9	178.3	-68.4	176.3	-176.9	176.4	0	111.9	G120 A121 A122	G120-K124 WeakPolarHBondContact CA-O 3.28Å; A121-K124 WeakPolarHBondContact O-CB 3.42Å; A121-K124 WeakPolarHBondContact O-CG 3.4Å; A121-K124 PolarHBondContact O-N 2.95Å; A122-K124 VanDerWaalsContact C-N 3.32Å; A122-K124 PolarHBondContact O-N 2.92Å
125	P	97.9	Very high	95.7	Very high	43 Å²	43	69.1 Å²	69.1	28%	0.279	39%	0.388	S	S	.	.			trans	-63.5	139.2	174.3	25.1	-33.4	0	0	0	111.4	T311 E313	P125-T311 HydrophobicContact CB-CG2 4.38Å; P125-E313 HydrophobicContact CB-CB 3.99Å; P125-E313 HydrophobicContact CB-CG 4.5Å
126	F	97.5	Very high	95.8	Very high	44 Å²	44	68.2 Å²	68.2	19%	0.193	38%	0.381	C	S	.	.			trans	-104.9	101.7	166.1	179.2	-135.1	0	0	0	109.9	P119 T128 A152 R155 V156 T311	P119-F126 HydrophobicContact CB-CD1 4.16Å; P119-F126 HydrophobicContact CB-CD2 3.75Å; P119-F126 HydrophobicContact CB-CE1 4.28Å; P119-F126 HydrophobicContact CB-CE2 3.88Å; P119-F126 HydrophobicContact CB-CG 3.9Å; P119-F126 HydrophobicContact CB-CZ 4.16Å; P119-F126 HydrophobicContact CG-CD2 4.47Å; P119-F126 HydrophobicContact CG-CE2 4.17Å; P119-F126 HydrophobicContact CG-CZ 4.38Å; F126-T128 HydrophobicContact CD1-CG2 3.93Å; F126-T128 HydrophobicContact CE1-CG2 3.68Å; F126-T128 HydrophobicContact CZ-CG2 4.1Å; F126-A152 HydrophobicContact CD1-CB 3.79Å; F126-A152 HydrophobicContact CE1-CB 4.38Å; F126-R155 HydrophobicContact CE1-CB 3.94Å; F126-R155 HydrophobicContact CZ-CB 4.44Å; F126-V156 HydrophobicContact CB-CG2 4.42Å; F126-V156 HydrophobicContact CD1-CG2 4.42Å; F126-T311 PolarHBondContact N-O 3.45Å
127	H	95.3	Very high	95.8	Very high	118 Å²	118	71 Å²	71	55%	0.546	38%	0.383	S	S	.	.			trans	-75.7	133.9	178.8	-65.8	-77.8	0	0	0	111.2	D129	H127-D129 IonicContact ND1-OD2 2.64Å
128	T	92.7	Very high	95.9	Very high	8 Å²	8	66.5 Å²	66.5	5%	0.049	36%	0.358	C	S	.	.			trans	-124.5	43.4	-176.4	54.2	0	0	0	0	110.8	F126 L131 K139 N149 Y151 A152	F126-T128 HydrophobicContact CD1-CG2 3.93Å; F126-T128 HydrophobicContact CE1-CG2 3.68Å; F126-T128 HydrophobicContact CZ-CG2 4.1Å; T128-L131 WeakPolarHBondContact O-CG 3.43Å; T128-K139 PolarHBondContact OG1-NZ 2.84Å; T128-N149 PolarHBondContact OG1-ND2 3.24Å; T128-N149 VanDerWaalsContact OG1-ND2 3.1Å; T128-Y151 HydrophobicContact CG2-CD1 3.89Å; T128-Y151 HydrophobicContact CG2-CE1 4.04Å; T128-A152 HydrophobicContact CG2-CB 4.25Å
129	D	87.7	Confident	95.9	Very high	128 Å²	128	65.4 Å²	65.4	68%	0.684	35%	0.347	S	S	*	.			trans	-89.4	-14.3	-170.1	-52.7	-37.8	0	0	0	113.6	H127	H127-D129 IonicContact ND1-OD2 2.64Å
130	S	90.4	Very high	95.8	Very high	121 Å²	121	66.8 Å²	66.8	85%	0.846	35%	0.352	S	S	*	.	S	Bend	trans	-126.7	73.5	-178.3	-62.7	0	0	0	0	109.9
131	L	94.9	Very high	95.7	Very high	38 Å²	38	74.9 Å²	74.9	20%	0.199	38%	0.381	C	S	.	.			trans	-101.6	147	179.2	-61.3	-176.3	0	0	0	110.9	T128 E135 Q136 K139 Y151	T128-L131 WeakPolarHBondContact O-CG 3.43Å; L131-E135 HydrophobicContact CB-CB 3.88Å; L131-E135 HydrophobicContact CD1-CB 4.42Å; L131-E135 HydrophobicContact CD2-CB 4.24Å; L131-E135 HydrophobicContact CG-CB 4.4Å; L131-Q136 HydrophobicContact CB-CB 4.39Å; L131-K139 HydrophobicContact CD1-CB 4.18Å; L131-K139 HydrophobicContact CD1-CD 3.74Å; L131-Y151 HydrophobicContact CD1-CD1 4.32Å; L131-Y151 HydrophobicContact CD1-CE1 4.12Å; L131-Y151 HydrophobicContact CD2-CD1 4.49Å; L131-Y151 HydrophobicContact CD2-CE1 3.56Å
132	S	96.6	Very high	95.6	Very high	44 Å²	44	74.8 Å²	74.8	31%	0.308	38%	0.381	S	S	.	.			trans	-62.1	159.9	164.1	60.8	0	0	0	0	111	E134 E135 Q136	S132-E134 PolarHBondContact O-N 2.98Å; S132-E135 WeakPolarHBondContact CB-OE2 3.47Å; S132-E135 PolarHBondContact N-OE2 3.45Å; S132-E135 PolarHBondContact O-N 2.94Å; S132-E135 VanDerWaalsContact O-N 3.16Å; S132-E135 WeakPolarHBondContact OG-CB 3.28Å; S132-E135 WeakPolarHBondContact OG-CG 3.46Å; S132-E135 PolarHBondContact OG-N 2.82Å; S132-E135 PolarHBondContact OG-OE2 3.3Å; S132-Q136 PolarHBondContact O-N 3.42Å
133	P	96.6	Very high	95.4	Very high	104 Å²	104	76.6 Å²	76.6	68%	0.675	39%	0.387	S	S	*	.	H	α-helix	trans	-54.8	-36.7	176.9	-27	36.1	0	0	0	113.7	K137	P133-K137 PolarHBondContact O-N 3.22Å; P133-K137 VanDerWaalsContact O-N 3.15Å
134	E	96.2	Very high	95.2	Very high	142 Å²	142	84.5 Å²	84.5	66%	0.664	42%	0.423	S	S	*	.	H	α-helix	trans	-68.2	-44.3	177.3	-67.7	72.6	-161.1	0	0	112.1	S132 K137 E138	S132-E134 PolarHBondContact O-N 2.98Å; E134-K137 WeakPolarHBondContact O-CB 3.29Å; E134-K137 PolarHBondContact O-N 2.82Å; E134-E138 PolarHBondContact O-N 3.35Å
135	E	96.6	Very high	95	Very high	65 Å²	65	83 Å²	83	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-67.3	-37.7	177.1	-72.3	167.2	142.3	0	0	111.9	L131 S132 K137 E138 K139 Y151	L131-E135 HydrophobicContact CB-CB 3.88Å; L131-E135 HydrophobicContact CD1-CB 4.42Å; L131-E135 HydrophobicContact CD2-CB 4.24Å; L131-E135 HydrophobicContact CG-CB 4.4Å; S132-E135 WeakPolarHBondContact CB-OE2 3.47Å; S132-E135 PolarHBondContact N-OE2 3.45Å; S132-E135 PolarHBondContact O-N 2.94Å; S132-E135 VanDerWaalsContact O-N 3.16Å; S132-E135 WeakPolarHBondContact OG-CB 3.28Å; S132-E135 WeakPolarHBondContact OG-CG 3.46Å; S132-E135 PolarHBondContact OG-N 2.82Å; S132-E135 PolarHBondContact OG-OE2 3.3Å; E135-K137 VanDerWaalsContact C-N 3.29Å; E135-K137 PolarHBondContact O-N 2.76Å; E135-E138 WeakPolarHBondContact O-CB 3.17Å; E135-E138 PolarHBondContact O-N 3.16Å; E135-K139 PolarHBondContact O-N 3.31Å; E135-Y151 HydrophobicContact CB-CE2 3.68Å; E135-Y151 VanDerWaalsContact CD-OH 3.27Å; E135-Y151 HydrophobicContact CG-CE2 3.88Å; E135-Y151 WeakPolarHBondContact CG-OH 3.48Å; E135-Y151 PolarHBondContact OE1-OH 2.89Å; E135-Y151 VanDerWaalsContact OE1-OH 3.07Å
136	Q	96.6	Very high	94.9	Very high	65 Å²	65	81.7 Å²	81.7	30%	0.304	41%	0.406	S	S	.	.	H	α-helix	trans	-61.2	-41.4	174	-173.5	61	55.1	0	0	110.7	L131 S132 E138 K139 D140	L131-Q136 HydrophobicContact CB-CB 4.39Å; S132-Q136 PolarHBondContact O-N 3.42Å; Q136-E138 VanDerWaalsContact C-N 3.34Å; Q136-E138 PolarHBondContact O-N 3.46Å; Q136-K139 WeakPolarHBondContact O-CB 3.46Å; Q136-K139 PolarHBondContact O-N 3.08Å; Q136-D140 PolarHBondContact NE2-OD1 2.76Å; Q136-D140 PolarHBondContact O-N 3.14Å
137	K	96.6	Very high	94.8	Very high	160 Å²	160	81 Å²	81	70%	0.696	41%	0.406	S	S	*	.	H	α-helix	trans	-65.6	-35.3	175.5	-168.7	178.7	-178.2	179.7	0	112.8	P133 E134 E135 R141	P133-K137 PolarHBondContact O-N 3.22Å; P133-K137 VanDerWaalsContact O-N 3.15Å; E134-K137 WeakPolarHBondContact O-CB 3.29Å; E134-K137 PolarHBondContact O-N 2.82Å; E135-K137 VanDerWaalsContact C-N 3.29Å; E135-K137 PolarHBondContact O-N 2.76Å; K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 PolarHBondContact O-N 3.47Å; K137-R141 VanDerWaalsContact O-N 3.14Å
138	E	96.6	Very high	94.8	Very high	60 Å²	60	75.4 Å²	75.4	28%	0.28	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-46.4	172.4	-175	-168.3	144.5	0	0	111	E134 E135 Q136 R141 G142 Y151 R155	E134-E138 PolarHBondContact O-N 3.35Å; E135-E138 WeakPolarHBondContact O-CB 3.17Å; E135-E138 PolarHBondContact O-N 3.16Å; Q136-E138 VanDerWaalsContact C-N 3.34Å; Q136-E138 PolarHBondContact O-N 3.46Å; E138-R141 PolarHBondContact O-N 3.15Å; E138-G142 PolarHBondContact O-N 3.3Å; E138-G142 VanDerWaalsContact O-N 3.09Å; E138-Y151 HydrophobicContact CB-CD2 4.05Å; E138-Y151 VanDerWaalsContact CD-CD2 3.46Å; E138-Y151 HydrophobicContact CG-CD2 3.93Å; E138-Y151 WeakPolarHBondContact OE1-CD2 3.45Å; E138-R155 IonicContact OE1-CZ 3.9Å; E138-R155 IonicContact OE1-NH1 3.27Å; E138-R155 PolarHBondContact OE1-NH1 2.76Å; E138-R155 IonicContact OE1-NH2 3.54Å; E138-R155 PolarHBondContact OE1-NH2 3.01Å; E138-R155 IonicContact OE2-NH2 3.29Å; E138-R155 PolarHBondContact OE2-NH2 3.49Å
139	K	96.4	Very high	95	Very high	26 Å²	26	75 Å²	75	11%	0.113	38%	0.378	C	S	.	.	H	α-helix	trans	-58.9	-53	175.4	175.7	175.9	173.3	178.1	0	112	T128 L131 E135 Q136 R141 G142 E143 Y151	T128-K139 PolarHBondContact OG1-NZ 2.84Å; L131-K139 HydrophobicContact CD1-CB 4.18Å; L131-K139 HydrophobicContact CD1-CD 3.74Å; E135-K139 PolarHBondContact O-N 3.31Å; Q136-K139 WeakPolarHBondContact O-CB 3.46Å; Q136-K139 PolarHBondContact O-N 3.08Å; K139-R141 VanDerWaalsContact C-N 3.3Å; K139-R141 PolarHBondContact O-N 2.68Å; K139-G142 WeakPolarHBondContact O-CA 3.46Å; K139-G142 PolarHBondContact O-N 3.11Å; K139-E143 WeakPolarHBondContact CE-OE1 3.45Å; K139-E143 HydrophobicContact CG-CG 4.49Å; K139-E143 PolarHBondContact O-N 2.83Å; K139-Y151 HydrophobicContact CB-CD2 4.45Å; K139-Y151 HydrophobicContact CB-CG 4.13Å
140	D	95.8	Very high	95.5	Very high	77 Å²	77	69.5 Å²	69.5	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-58.4	-42.3	-178.4	-63.8	-14.6	0	0	0	111.4	Q136 G142 E143 E144	Q136-D140 PolarHBondContact NE2-OD1 2.76Å; Q136-D140 PolarHBondContact O-N 3.14Å; D140-G142 VanDerWaalsContact C-N 3.33Å; D140-G142 PolarHBondContact O-N 3.35Å; D140-E143 PolarHBondContact O-N 3.33Å; D140-E144 WeakPolarHBondContact O-CB 3.47Å; D140-E144 PolarHBondContact O-N 3.36Å
141	R	95.6	Very high	95.8	Very high	173 Å²	173	64.1 Å²	64.1	65%	0.653	31%	0.311	S	S	*	.	H	α-helix	trans	-63.5	-38.9	176.3	-175.3	-175.9	66.3	176	-0.8	112.2	K137 E138 K139 K145	K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 PolarHBondContact O-N 3.47Å; K137-R141 VanDerWaalsContact O-N 3.14Å; E138-R141 PolarHBondContact O-N 3.15Å; K139-R141 VanDerWaalsContact C-N 3.3Å; K139-R141 PolarHBondContact O-N 2.68Å; R141-K145 WeakPolarHBondContact O-CB 3.3Å; R141-K145 PolarHBondContact O-N 3.16Å
142	G	94.7	Very high	96	Very high	7 Å²	7	62.3 Å²	62.3	7%	0.072	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-46.7	175.6	0	0	0	0	0	111.9	E138 K139 D140 K145 H146	E138-G142 PolarHBondContact O-N 3.3Å; E138-G142 VanDerWaalsContact O-N 3.09Å; K139-G142 WeakPolarHBondContact O-CA 3.46Å; K139-G142 PolarHBondContact O-N 3.11Å; D140-G142 VanDerWaalsContact C-N 3.33Å; D140-G142 PolarHBondContact O-N 3.35Å; G142-K145 PolarHBondContact O-N 2.95Å; G142-H146 WeakPolarHBondContact O-CB 3.28Å; G142-H146 PolarHBondContact O-N 3.33Å
143	E	94	Very high	96.1	Very high	58 Å²	58	60.2 Å²	60.2	27%	0.271	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-42.1	178.6	-72	177.8	178.5	0	0	112.2	K139 D140 K145 C147 F148 N149	K139-E143 WeakPolarHBondContact CE-OE1 3.45Å; K139-E143 HydrophobicContact CG-CG 4.49Å; K139-E143 PolarHBondContact O-N 2.83Å; D140-E143 PolarHBondContact O-N 3.33Å; E143-K145 VanDerWaalsContact C-N 3.35Å; E143-K145 PolarHBondContact O-N 3.1Å; E143-C147 WeakPolarHBondContact O-CA 3.47Å; E143-C147 PolarHBondContact O-N 2.98Å; E143-F148 WeakPolarHBondContact CA-O 3.17Å; E143-N149 HydrophobicContact CG-CB 4.47Å
144	E	93.7	Very high	96.1	Very high	168 Å²	168	59.3 Å²	59.3	79%	0.785	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-43.6	175.9	-174.8	-179.7	-172.8	0	0	111.6	D140	D140-E144 WeakPolarHBondContact O-CB 3.47Å; D140-E144 PolarHBondContact O-N 3.36Å
145	K	93.7	Very high	96.2	Very high	95 Å²	95	56.7 Å²	56.7	41%	0.413	26%	0.26	S	S	.	.	H	α-helix	trans	-77.6	-41	-176.1	-177.2	176.6	171.9	-172.2	0	113.4	R141 G142 E143 D227	R141-K145 WeakPolarHBondContact O-CB 3.3Å; R141-K145 PolarHBondContact O-N 3.16Å; G142-K145 PolarHBondContact O-N 2.95Å; E143-K145 VanDerWaalsContact C-N 3.35Å; E143-K145 PolarHBondContact O-N 3.1Å; K145-D227 WeakPolarHBondContact CE-OD2 3.49Å; K145-D227 IonicContact NZ-OD1 3.67Å; K145-D227 PolarHBondContact NZ-OD1 2.68Å; K145-D227 IonicContact NZ-OD2 2.65Å; K145-D227 PolarHBondContact NZ-OD2 2.74Å
146	H	94.3	Very high	96.3	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.065	25%	0.246	C	C	.	.	H	α-helix	trans	-112.4	-9.4	-168.7	-62.4	-82.6	0	0	0	113.9	G142 F148 V150 N193 R416	G142-H146 WeakPolarHBondContact O-CB 3.28Å; G142-H146 PolarHBondContact O-N 3.33Å; H146-F148 HydrophobicContact CB-CD1 3.98Å; H146-F148 HydrophobicContact CB-CE1 3.64Å; H146-F148 HydrophobicContact CB-CE2 4.4Å; H146-F148 HydrophobicContact CB-CG 4.48Å; H146-F148 HydrophobicContact CB-CZ 3.86Å; H146-F148 WeakPolarHBondContact O-CD1 3.27Å; H146-F148 PolarHBondContact O-N 3.32Å; H146-V150 HydrophobicContact CB-CG2 3.7Å; H146-V150 VanDerWaalsContact CD2-CG2 3.48Å; H146-V150 WeakPolarHBondContact CD2-CG2 3.37Å; H146-N193 PolarHBondContact CE1-O 2.89Å; H146-N193 VanDerWaalsContact CE1-O 3.28Å; H146-N193 PolarHBondContact ND1-O 2.78Å; H146-R416 PolarHBondContact O-NH1 3.38Å
147	C	95.4	Very high	96.4	Very high	29 Å²	29	52.7 Å²	52.7	20%	0.196	25%	0.246	C	C	.	.	S	Bend	trans	61.3	26.2	-176.1	-53.7	0	0	0	0	114.1	E143	E143-C147 WeakPolarHBondContact O-CA 3.47Å; E143-C147 PolarHBondContact O-N 2.98Å
148	F	96.4	Very high	96.5	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	22%	0.224	C	C	.	.	S	Bend	trans	-155.1	165.8	170	63.4	-100.3	0	0	0	109.9	E143 H146 V150 E194 A195 T198 L309 F312 V414 R416	E143-F148 WeakPolarHBondContact CA-O 3.17Å; H146-F148 HydrophobicContact CB-CD1 3.98Å; H146-F148 HydrophobicContact CB-CE1 3.64Å; H146-F148 HydrophobicContact CB-CE2 4.4Å; H146-F148 HydrophobicContact CB-CG 4.48Å; H146-F148 HydrophobicContact CB-CZ 3.86Å; H146-F148 WeakPolarHBondContact O-CD1 3.27Å; H146-F148 PolarHBondContact O-N 3.32Å; F148-V150 HydrophobicContact CD2-CG2 3.96Å; F148-V150 HydrophobicContact CE2-CB 4.44Å; F148-V150 HydrophobicContact CE2-CG2 3.51Å; F148-V150 HydrophobicContact CZ-CG2 4.06Å; F148-V150 PolarHBondContact O-N 2.7Å; F148-E194 WeakPolarHBondContact CZ-OE1 3.5Å; F148-A195 HydrophobicContact CE2-CB 4.36Å; F148-A195 HydrophobicContact CZ-CB 3.96Å; F148-T198 HydrophobicContact CE2-CG2 3.64Å; F148-T198 HydrophobicContact CZ-CG2 3.74Å; F148-L309 HydrophobicContact CB-CB 3.86Å; F148-F312 HydrophobicContact CD2-CE2 4.02Å; F148-F312 AromaticContact CD2-CZ 3.71Å; F148-F312 HydrophobicContact CD2-CZ 3.71Å; F148-F312 AromaticContact CE2-CZ 3.95Å; F148-F312 HydrophobicContact CE2-CZ 3.95Å; F148-V414 HydrophobicContact CB-CG1 4.04Å; F148-V414 HydrophobicContact CD1-CG1 4.32Å; F148-V414 HydrophobicContact CG-CG1 4.14Å; F148-R416 VanDerWaalsContact CE1-CZ 3.43Å
149	N	97.1	Very high	96.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.			trans	-75.5	83.3	-175.6	-173.6	-7	0	0	0	112.4	T128 E143 Y151 A152 S153 L309 N310 F312	T128-N149 PolarHBondContact OG1-ND2 3.24Å; T128-N149 VanDerWaalsContact OG1-ND2 3.1Å; E143-N149 HydrophobicContact CG-CB 4.47Å; N149-Y151 PolarHBondContact O-N 3.04Å; N149-Y151 WeakPolarHBondContact OD1-CB 3.26Å; N149-Y151 PolarHBondContact OD1-N 3.13Å; N149-A152 HydrophobicContact CB-CB 4.19Å; N149-A152 PolarHBondContact O-N 3.39Å; N149-A152 PolarHBondContact OD1-N 3.09Å; N149-S153 PolarHBondContact O-N 3.18Å; N149-L309 WeakPolarHBondContact CB-O 3.4Å; N149-L309 PolarHBondContact N-O 2.56Å; N149-N310 WeakPolarHBondContact CB-O 3.33Å; N149-N310 PolarHBondContact ND2-O 2.57Å; N149-F312 VanDerWaalsContact O-CE2 3.25Å; N149-F312 WeakPolarHBondContact O-CE2 3.3Å
150	V	96.9	Very high	96.6	Very high	12 Å²	12	44.2 Å²	44.2	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-33.1	176.7	-179.5	0	0	0	0	111.9	H146 F148 A152 S153 D154 A195	H146-V150 HydrophobicContact CB-CG2 3.7Å; H146-V150 VanDerWaalsContact CD2-CG2 3.48Å; H146-V150 WeakPolarHBondContact CD2-CG2 3.37Å; F148-V150 HydrophobicContact CD2-CG2 3.96Å; F148-V150 HydrophobicContact CE2-CB 4.44Å; F148-V150 HydrophobicContact CE2-CG2 3.51Å; F148-V150 HydrophobicContact CZ-CG2 4.06Å; F148-V150 PolarHBondContact O-N 2.7Å; V150-A152 VanDerWaalsContact C-N 3.28Å; V150-A152 PolarHBondContact O-N 3.13Å; V150-S153 CarbonylContact O-C 3.49Å; V150-S153 WeakPolarHBondContact O-CA 3.43Å; V150-S153 WeakPolarHBondContact O-CB 3.45Å; V150-S153 PolarHBondContact O-N 2.91Å; V150-D154 PolarHBondContact O-N 3.12Å; V150-A195 HydrophobicContact CG1-CB 4.07Å; V150-A195 HydrophobicContact CG2-CB 4.07Å
151	Y	97.9	Very high	96.7	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.035	20%	0.202	C	C	.	.	H	α-helix	trans	-56.9	-43.3	176.5	176.2	-81.2	0	0	0	111.8	T128 L131 E135 E138 K139 N149 R155	T128-Y151 HydrophobicContact CG2-CD1 3.89Å; T128-Y151 HydrophobicContact CG2-CE1 4.04Å; L131-Y151 HydrophobicContact CD1-CD1 4.32Å; L131-Y151 HydrophobicContact CD1-CE1 4.12Å; L131-Y151 HydrophobicContact CD2-CD1 4.49Å; L131-Y151 HydrophobicContact CD2-CE1 3.56Å; E135-Y151 HydrophobicContact CB-CE2 3.68Å; E135-Y151 VanDerWaalsContact CD-OH 3.27Å; E135-Y151 HydrophobicContact CG-CE2 3.88Å; E135-Y151 WeakPolarHBondContact CG-OH 3.48Å; E135-Y151 PolarHBondContact OE1-OH 2.89Å; E135-Y151 VanDerWaalsContact OE1-OH 3.07Å; E138-Y151 HydrophobicContact CB-CD2 4.05Å; E138-Y151 VanDerWaalsContact CD-CD2 3.46Å; E138-Y151 HydrophobicContact CG-CD2 3.93Å; E138-Y151 WeakPolarHBondContact OE1-CD2 3.45Å; K139-Y151 HydrophobicContact CB-CD2 4.45Å; K139-Y151 HydrophobicContact CB-CG 4.13Å; N149-Y151 PolarHBondContact O-N 3.04Å; N149-Y151 WeakPolarHBondContact OD1-CB 3.26Å; N149-Y151 PolarHBondContact OD1-N 3.13Å; Y151-R155 PolarHBondContact O-NH1 3.17Å; Y151-R155 PolarHBondContact OH-NE 3.47Å; Y151-R155 PolarHBondContact OH-NH2 3.35Å
152	A	97.9	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-49.9	172.6	0	0	0	0	0	111	F126 T128 N149 V150 D154 R155 V156 F312	F126-A152 HydrophobicContact CD1-CB 3.79Å; F126-A152 HydrophobicContact CE1-CB 4.38Å; T128-A152 HydrophobicContact CG2-CB 4.25Å; N149-A152 HydrophobicContact CB-CB 4.19Å; N149-A152 PolarHBondContact O-N 3.39Å; N149-A152 PolarHBondContact OD1-N 3.09Å; V150-A152 VanDerWaalsContact C-N 3.28Å; V150-A152 PolarHBondContact O-N 3.13Å; A152-D154 VanDerWaalsContact C-N 3.33Å; A152-D154 PolarHBondContact O-N 2.84Å; A152-R155 PolarHBondContact O-N 2.92Å; A152-R155 VanDerWaalsContact O-N 3.14Å; A152-V156 WeakPolarHBondContact O-CG2 3.47Å; A152-V156 PolarHBondContact O-N 2.93Å; A152-F312 HydrophobicContact CB-CD2 4.07Å
153	S	98.3	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.1	-45.3	179.4	-174.2	0	0	0	0	112.7	N149 V150 R155 V156 S197 T198 R201 F312	N149-S153 PolarHBondContact O-N 3.18Å; V150-S153 CarbonylContact O-C 3.49Å; V150-S153 WeakPolarHBondContact O-CA 3.43Å; V150-S153 WeakPolarHBondContact O-CB 3.45Å; V150-S153 PolarHBondContact O-N 2.91Å; S153-R155 PolarHBondContact O-N 3.33Å; S153-R155 VanDerWaalsContact O-N 3.14Å; S153-V156 PolarHBondContact O-N 3.5Å; S153-V156 VanDerWaalsContact O-N 3.09Å; S153-S197 WeakPolarHBondContact CB-OG 3.42Å; S153-S197 WeakPolarHBondContact OG-CB 3.46Å; S153-S197 PolarHBondContact OG-OG 2.73Å; S153-T198 WeakPolarHBondContact OG-CG2 3.45Å; S153-R201 PolarHBondContact O-NH2 3.15Å; S153-R201 PolarHBondContact OG-NH1 2.64Å; S153-R201 PolarHBondContact OG-NH2 3.35Å; S153-F312 VanDerWaalsContact CB-CZ 3.48Å
154	D	98.3	Very high	97	Very high	84 Å²	84	35.5 Å²	35.5	45%	0.449	19%	0.194	S	C	.	.	H	α-helix	trans	-65.4	-20.1	-176.1	-71.5	-8.9	0	0	0	113.1	V150 A152 S197	V150-D154 PolarHBondContact O-N 3.12Å; A152-D154 VanDerWaalsContact C-N 3.33Å; A152-D154 PolarHBondContact O-N 2.84Å; D154-S197 WeakPolarHBondContact OD1-CB 3.44Å; D154-S197 PolarHBondContact OD1-OG 3.03Å
155	R	97.8	Very high	97.2	Very high	87 Å²	87	29.7 Å²	29.7	33%	0.328	17%	0.168	S	C	.	.	H	α-helix	trans	-99.1	-8.3	178.4	-70.7	162.3	176.2	72	-2.3	113.2	F126 E138 Y151 A152 S153	F126-R155 HydrophobicContact CE1-CB 3.94Å; F126-R155 HydrophobicContact CZ-CB 4.44Å; E138-R155 IonicContact OE1-CZ 3.9Å; E138-R155 IonicContact OE1-NH1 3.27Å; E138-R155 PolarHBondContact OE1-NH1 2.76Å; E138-R155 IonicContact OE1-NH2 3.54Å; E138-R155 PolarHBondContact OE1-NH2 3.01Å; E138-R155 IonicContact OE2-NH2 3.29Å; E138-R155 PolarHBondContact OE2-NH2 3.49Å; Y151-R155 PolarHBondContact O-NH1 3.17Å; Y151-R155 PolarHBondContact OH-NE 3.47Å; Y151-R155 PolarHBondContact OH-NH2 3.35Å; A152-R155 PolarHBondContact O-N 2.92Å; A152-R155 VanDerWaalsContact O-N 3.14Å; S153-R155 PolarHBondContact O-N 3.33Å; S153-R155 VanDerWaalsContact O-N 3.14Å
156	V	98.3	Very high	97.4	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.024	16%	0.161	C	C	.	.	S	Bend	trans	-92.1	130.3	174.8	172.5	0	0	0	0	109.8	P119 F126 A152 S153 L158 R160 R201	P119-V156 HydrophobicContact CB-CG2 4.4Å; F126-V156 HydrophobicContact CB-CG2 4.42Å; F126-V156 HydrophobicContact CD1-CG2 4.42Å; A152-V156 WeakPolarHBondContact O-CG2 3.47Å; A152-V156 PolarHBondContact O-N 2.93Å; S153-V156 PolarHBondContact O-N 3.5Å; S153-V156 VanDerWaalsContact O-N 3.09Å; V156-L158 PolarHBondContact O-N 2.91Å; V156-R160 VanDerWaalsContact CG1-CD 3.44Å; V156-R201 PolarHBondContact O-NH2 2.92Å
157	S	98.3	Very high	97.5	Very high	43 Å²	43	27.2 Å²	27.2	30%	0.301	16%	0.16	S	C	.	.			trans	-50.6	137.7	-178.8	176.1	0	0	0	0	112.7	Q114 S159 R160 R201	Q114-S157 PolarHBondContact OE1-OG 3.25Å; Q114-S157 VanDerWaalsContact OE1-OG 3.11Å; S157-S159 PolarHBondContact O-N 2.77Å; S157-S159 PolarHBondContact OG-N 2.74Å; S157-R160 PolarHBondContact O-N 3.46Å; S157-R160 PolarHBondContact OG-N 2.9Å; S157-R201 PolarHBondContact O-NE 3.08Å
158	L	98.2	Very high	97.6	Very high	43 Å²	43	26.2 Å²	26.2	23%	0.225	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.5	172.9	-57	-179	0	0	0	112.1	V156 S197 L200 R201 Y204	V156-L158 PolarHBondContact O-N 2.91Å; L158-S197 VanDerWaalsContact CD2-O 3.26Å; L158-S197 WeakPolarHBondContact CD2-O 3.26Å; L158-L200 HydrophobicContact CD1-CB 4.01Å; L158-L200 HydrophobicContact CD1-CD1 4.04Å; L158-L200 HydrophobicContact CD2-CB 4.23Å; L158-R201 HydrophobicContact CD2-CB 4.28Å; L158-Y204 HydrophobicContact CB-CD2 3.96Å; L158-Y204 HydrophobicContact CB-CE2 4.47Å; L158-Y204 HydrophobicContact CD1-CD2 4.43Å; L158-Y204 HydrophobicContact CD1-CE2 4.27Å; L158-Y204 WeakPolarHBondContact O-CB 3.14Å
159	S	98	Very high	97.6	Very high	17 Å²	17	29.2 Å²	29.2	12%	0.119	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	21.2	-178.9	-62.4	0	0	0	0	112.5	R111 Q114 S157 D161 H208	R111-S159 VanDerWaalsContact CD-O 3.25Å; R111-S159 WeakPolarHBondContact CD-O 3.19Å; R111-S159 WeakPolarHBondContact CG-O 3.44Å; R111-S159 PolarHBondContact NE-O 2.66Å; Q114-S159 VanDerWaalsContact CD-O 3.27Å; Q114-S159 PolarHBondContact NE2-O 2.89Å; Q114-S159 PolarHBondContact OE1-O 3.42Å; S157-S159 PolarHBondContact O-N 2.77Å; S157-S159 PolarHBondContact OG-N 2.74Å; S159-D161 PolarHBondContact O-N 3.23Å; S159-H208 WeakPolarHBondContact CB-NE2 3.45Å; S159-H208 PolarHBondContact OG-NE2 3Å
160	R	98.1	Very high	97.6	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.026	19%	0.186	C	C	.	.			trans	-53.7	142.7	-178.4	79.9	178	-174.5	166.3	-6.1	111.1	R111 G120 V156 S157 E279 F312	R111-R160 PolarHBondContact NE-O 2.75Å; G120-R160 WeakPolarHBondContact O-CD 3.34Å; G120-R160 PolarHBondContact O-NH1 3.06Å; G120-R160 VanDerWaalsContact O-NH1 3.16Å; V156-R160 VanDerWaalsContact CG1-CD 3.44Å; S157-R160 PolarHBondContact O-N 3.46Å; S157-R160 PolarHBondContact OG-N 2.9Å; R160-E279 IonicContact CZ-OE1 3.15Å; R160-E279 VanDerWaalsContact CZ-OE1 3.29Å; R160-E279 IonicContact CZ-OE2 3.84Å; R160-E279 IonicContact NE-OE1 2.87Å; R160-E279 PolarHBondContact NE-OE1 3.04Å; R160-E279 IonicContact NE-OE2 3.26Å; R160-E279 PolarHBondContact NE-OE2 3.45Å; R160-E279 IonicContact NH2-OE1 3.26Å; R160-E279 PolarHBondContact NH2-OE1 3.48Å; R160-E279 IonicContact NH2-OE2 3.55Å; R160-E279 PolarHBondContact NH2-OE2 3.46Å; R160-F312 PolarHBondContact NH1-O 3.07Å; R160-F312 PolarHBondContact NH2-O 2.93Å
161	D	97.6	Very high	97.7	Very high	37 Å²	37	31.8 Å²	31.8	20%	0.198	18%	0.184	C	C	.	.			trans	-82.2	163.9	164.6	70.6	94	0	0	0	110.3	Q114 A122 G123 S159 G163	Q114-D161 VanDerWaalsContact CB-OD2 3.26Å; Q114-D161 WeakPolarHBondContact CB-OD2 3.36Å; Q114-D161 HydrophobicContact CG-CB 4.31Å; Q114-D161 VanDerWaalsContact CG-OD2 3.28Å; Q114-D161 WeakPolarHBondContact CG-OD2 3.5Å; A122-D161 CarbonylContact C-O 3.5Å; A122-D161 WeakPolarHBondContact CA-O 3.42Å; A122-D161 WeakPolarHBondContact CA-OD1 3.32Å; A122-D161 PolarHBondContact N-O 2.9Å; G123-D161 PolarHBondContact N-O 3.49Å; S159-D161 PolarHBondContact O-N 3.23Å; D161-G163 VanDerWaalsContact OD1-CA 3.3Å; D161-G163 WeakPolarHBondContact OD1-CA 3.42Å; D161-G163 PolarHBondContact OD1-N 2.99Å
162	L	98.3	Very high	97.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	20%	0.203	C	C	.	.			trans	-107.6	24.1	177.1	-58.4	177.4	0	0	0	111.3	A122 E279 F281 F314 K316	A122-L162 CarbonylContact O-C 3.59Å; L162-E279 HydrophobicContact CD1-CB 4.42Å; L162-F281 HydrophobicContact CB-CD2 3.93Å; L162-F281 HydrophobicContact CB-CE2 3.74Å; L162-F281 HydrophobicContact CD1-CD2 3.67Å; L162-F281 HydrophobicContact CD1-CE2 4.34Å; L162-F281 HydrophobicContact CG-CD2 4.46Å; L162-F314 HydrophobicContact CD1-CD2 3.78Å; L162-F314 HydrophobicContact CD1-CE1 4.34Å; L162-F314 HydrophobicContact CD1-CE2 3.55Å; L162-F314 HydrophobicContact CD1-CG 4.27Å; L162-F314 HydrophobicContact CD1-CZ 3.87Å; L162-F314 HydrophobicContact CD2-CB 4.07Å; L162-F314 HydrophobicContact CD2-CD2 3.81Å; L162-F314 HydrophobicContact CD2-CE2 4.45Å; L162-F314 HydrophobicContact CD2-CG 3.97Å; L162-F314 HydrophobicContact CG-CD2 4.42Å; L162-K316 WeakPolarHBondContact O-CE 3.32Å; L162-K316 PolarHBondContact O-NZ 3.42Å
163	G	96.7	Very high	97.6	Very high	18 Å²	18	42.7 Å²	42.7	19%	0.186	24%	0.237	C	C	.	.			trans	70.4	-157.1	-176.9	0	0	0	0	0	113.6	D161 H282	D161-G163 VanDerWaalsContact OD1-CA 3.3Å; D161-G163 WeakPolarHBondContact OD1-CA 3.42Å; D161-G163 PolarHBondContact OD1-N 2.99Å; G163-H282 PolarHBondContact O-NE2 2.82Å
164	A	96.4	Very high	97.6	Very high	76 Å²	76	45.3 Å²	45.3	63%	0.628	25%	0.25	S	C	*	.	S	Bend	trans	-61.6	150.3	176.3	0	0	0	0	0	111.8	T166	A164-T166 PolarHBondContact O-N 3.5Å
165	D	97.4	Very high	97.5	Very high	46 Å²	46	45.6 Å²	45.6	25%	0.246	25%	0.254	C	S	.	.			trans	-70.9	113.9	171	-166.7	-15.9	0	0	0	109.5	R167 I172 F281 H282	D165-R167 VanDerWaalsContact OD1-CB 3.31Å; D165-R167 WeakPolarHBondContact OD1-CB 3.31Å; D165-R167 VanDerWaalsContact OD1-CG 3.31Å; D165-R167 WeakPolarHBondContact OD1-CG 3.28Å; D165-R167 IonicContact OD1-CZ 2.85Å; D165-R167 PolarHBondContact OD1-N 2.76Å; D165-R167 VanDerWaalsContact OD1-N 3.08Å; D165-R167 IonicContact OD1-NE 2.85Å; D165-R167 PolarHBondContact OD1-NE 2.86Å; D165-R167 IonicContact OD2-CZ 3.06Å; D165-R167 IonicContact OD2-NE 3.83Å; D165-R167 PolarHBondContact OD2-NE 2.9Å; D165-R167 VanDerWaalsContact OD2-NE 3.16Å; D165-R167 IonicContact OD2-NH2 3.52Å; D165-R167 PolarHBondContact OD2-NH2 2.84Å; D165-I172 HydrophobicContact CB-CD1 4.21Å; D165-F281 WeakPolarHBondContact OD1-CE1 3.37Å; D165-H282 HydrophobicContact CB-CB 4.47Å
166	T	96.9	Very high	97.5	Very high	42 Å²	42	42.3 Å²	42.3	26%	0.258	24%	0.243	S	C	.	.			trans	-108.6	15.5	-178.3	58.1	0	0	0	0	112.4	A164 P317 S318 P319	A164-T166 PolarHBondContact O-N 3.5Å; T166-P317 VanDerWaalsContact CB-O 3.24Å; T166-P317 WeakPolarHBondContact CB-O 3.46Å; T166-P317 CarbonylContact O-C 3.53Å; T166-P317 VanDerWaalsContact O-O 3.07Å; T166-P317 PolarHBondContact OG1-O 2.97Å; T166-S318 CarbonylContact O-C 3.57Å; T166-P319 WeakPolarHBondContact O-CA 3.46Å; T166-P319 WeakPolarHBondContact O-CD 3.44Å
167	R	97.5	Very high	97.5	Very high	15 Å²	15	48.1 Å²	48.1	6%	0.057	27%	0.268	C	S	.	.	S	Bend	trans	-64.8	162.1	172.8	-69.8	178.8	-60.5	157.2	5.5	111	D165 C171 I172 F281 H282 G283 P317 C408 V410	D165-R167 VanDerWaalsContact OD1-CB 3.31Å; D165-R167 WeakPolarHBondContact OD1-CB 3.31Å; D165-R167 VanDerWaalsContact OD1-CG 3.31Å; D165-R167 WeakPolarHBondContact OD1-CG 3.28Å; D165-R167 IonicContact OD1-CZ 2.85Å; D165-R167 PolarHBondContact OD1-N 2.76Å; D165-R167 VanDerWaalsContact OD1-N 3.08Å; D165-R167 IonicContact OD1-NE 2.85Å; D165-R167 PolarHBondContact OD1-NE 2.86Å; D165-R167 IonicContact OD2-CZ 3.06Å; D165-R167 IonicContact OD2-NE 3.83Å; D165-R167 PolarHBondContact OD2-NE 2.9Å; D165-R167 VanDerWaalsContact OD2-NE 3.16Å; D165-R167 IonicContact OD2-NH2 3.52Å; D165-R167 PolarHBondContact OD2-NH2 2.84Å; R167-C171 HydrophobicContact CB-CB 4.05Å; R167-I172 HydrophobicContact CB-CG1 4.24Å; R167-F281 HydrophobicContact CG-CD1 4.02Å; R167-F281 HydrophobicContact CG-CE1 3.98Å; R167-H282 PolarHBondContact NE-O 3.41Å; R167-H282 PolarHBondContact NH1-O 2.77Å; R167-H282 VanDerWaalsContact NH1-O 3.14Å; R167-H282 PolarHBondContact NH2-O 3.24Å; R167-G283 PolarHBondContact NH1-O 3.35Å; R167-P317 HydrophobicContact CG-CB 4.27Å; R167-P317 HydrophobicContact CG-CG 3.7Å; R167-C408 WeakPolarHBondContact CD-O 3.39Å; R167-C408 PolarHBondContact NH1-O 2.94Å; R167-V410 HydrophobicContact CG-CG2 4.42Å
168	P	97.1	Very high	97.3	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.052	26%	0.262	C	S	.	.			trans	-49.9	140.8	169.2	-27.3	34.8	0	0	0	112	E170 C171 I172 E351	P168-E170 HydrophobicContact CB-CG 4.31Å; P168-E170 WeakPolarHBondContact CB-OE2 3.22Å; P168-E170 PolarHBondContact O-N 3.03Å; P168-C171 VanDerWaalsContact O-CB 3.29Å; P168-C171 WeakPolarHBondContact O-CB 3.25Å; P168-C171 PolarHBondContact O-N 3.48Å; P168-I172 PolarHBondContact O-N 3.46Å; P168-E351 HydrophobicContact CB-CB 3.93Å; P168-E351 HydrophobicContact CB-CG 3.96Å; P168-E351 HydrophobicContact CG-CB 3.85Å; P168-E351 HydrophobicContact CG-CG 3.67Å
169	P	97.3	Very high	97.1	Very high	63 Å²	63	48.7 Å²	48.7	41%	0.409	27%	0.267	S	S	.	.	H	α-helix	trans	-53.1	-39.8	-176.2	-27.9	35.2	0	0	0	113.7	C171 I172 E173	P169-C171 PolarHBondContact O-N 2.84Å; P169-I172 PolarHBondContact O-N 2.97Å; P169-E173 WeakPolarHBondContact O-CB 3.42Å; P169-E173 WeakPolarHBondContact O-CG 3.34Å; P169-E173 PolarHBondContact O-N 3.25Å
170	E	97	Very high	97	Very high	61 Å²	61	51 Å²	51	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-26.2	178	63.2	-93.9	-140.9	0	0	113.6	P168 Q174 D350 E351 T352	P168-E170 HydrophobicContact CB-CG 4.31Å; P168-E170 WeakPolarHBondContact CB-OE2 3.22Å; P168-E170 PolarHBondContact O-N 3.03Å; E170-Q174 WeakPolarHBondContact O-CB 3.23Å; E170-Q174 PolarHBondContact O-N 3.32Å; E170-D350 HydrophobicContact CG-CB 4.09Å; E170-E351 HydrophobicContact CG-CB 4.1Å; E170-E351 WeakPolarHBondContact OE1-CB 3.26Å; E170-E351 WeakPolarHBondContact OE1-CG 3.44Å; E170-E351 PolarHBondContact OE1-N 2.76Å; E170-T352 HydrophobicContact CB-CG2 4.11Å; E170-T352 HydrophobicContact CG-CG2 4.01Å
171	C	97.6	Very high	96.9	Very high	5 Å²	5	54 Å²	54	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-77.4	-35.6	174.5	-65.1	0	0	0	0	111.9	R167 P168 P169 C408	R167-C171 HydrophobicContact CB-CB 4.05Å; P168-C171 VanDerWaalsContact O-CB 3.29Å; P168-C171 WeakPolarHBondContact O-CB 3.25Å; P168-C171 PolarHBondContact O-N 3.48Å; P169-C171 PolarHBondContact O-N 2.84Å; C171-C408 WeakPolarHBondContact CA-SG 3.46Å; C171-C408 HydrophobicContact CB-CB 3.54Å; C171-C408 WeakPolarHBondContact CB-SG 3.47Å; C171-C408 WeakPolarHBondContact SG-CA 3.39Å; C171-C408 WeakPolarHBondContact SG-CB 3.48Å; C171-C408 CovalentContact SG-SG 2.04Å; C171-C408 PolarHBondContact SG-SG 3.12Å
172	I	97.4	Very high	96.9	Very high	85 Å²	85	52.9 Å²	52.9	44%	0.436	30%	0.297	S	S	.	.	H	α-helix	trans	-73.2	-39	178.6	-57.7	176.4	0	0	0	110	D165 R167 P168 P169 Q174	D165-I172 HydrophobicContact CB-CD1 4.21Å; R167-I172 HydrophobicContact CB-CG1 4.24Å; P168-I172 PolarHBondContact O-N 3.46Å; P169-I172 PolarHBondContact O-N 2.97Å; I172-Q174 VanDerWaalsContact C-N 3.32Å
173	E	97.3	Very high	96.9	Very high	153 Å²	153	53.8 Å²	53.8	72%	0.715	30%	0.302	S	S	*	.	S	Bend	trans	-84.4	-4.6	-179.3	-64.6	176.3	-176	0	0	113.3	P169 T175	P169-E173 WeakPolarHBondContact O-CB 3.42Å; P169-E173 WeakPolarHBondContact O-CG 3.34Å; P169-E173 PolarHBondContact O-N 3.25Å; E173-T175 PolarHBondContact O-N 2.83Å
174	Q	97.4	Very high	97	Very high	56 Å²	56	54.6 Å²	54.6	26%	0.262	30%	0.304	S	S	.	.			trans	-59.5	132.5	-177.8	-167.6	175.1	12.7	0	0	111.2	E170 I172 F176 T352	E170-Q174 WeakPolarHBondContact O-CB 3.23Å; E170-Q174 PolarHBondContact O-N 3.32Å; I172-Q174 VanDerWaalsContact C-N 3.32Å; Q174-F176 HydrophobicContact CB-CZ 4.34Å; Q174-F176 HydrophobicContact CG-CE1 4Å; Q174-F176 HydrophobicContact CG-CZ 3.97Å; Q174-T352 HydrophobicContact CG-CG2 4.49Å
175	T	97.5	Very high	97.1	Very high	89 Å²	89	51 Å²	51	55%	0.546	27%	0.274	S	S	.	.			trans	-114.1	146.2	174.4	58.7	0	0	0	0	110.8	H99 E173	H99-T175 PolarHBondContact CD2-OG1 2.92Å; E173-T175 PolarHBondContact O-N 2.83Å
176	F	97.9	Very high	97.2	Very high	19 Å²	19	48.8 Å²	48.8	8%	0.083	26%	0.262	C	S	.	.			trans	-111.2	126.5	-175	-57.3	-75	0	0	0	110.8	H99 Y100 L105 Q174 L182 E286 P287 A290	H99-F176 CarbonylContact C-O 3.03Å; H99-F176 WeakPolarHBondContact CA-O 3.29Å; H99-F176 WeakPolarHBondContact CB-O 3.09Å; Y100-F176 HydrophobicContact CD2-CB 4.15Å; Y100-F176 WeakPolarHBondContact CD2-O 3.14Å; Y100-F176 PolarHBondContact N-O 3.47Å; L105-F176 HydrophobicContact CD1-CD2 4.11Å; Q174-F176 HydrophobicContact CB-CZ 4.34Å; Q174-F176 HydrophobicContact CG-CE1 4Å; Q174-F176 HydrophobicContact CG-CZ 3.97Å; F176-L182 HydrophobicContact CB-CD1 3.96Å; F176-L182 HydrophobicContact CB-CD2 4.46Å; F176-L182 HydrophobicContact CB-CG 4.47Å; F176-L182 HydrophobicContact CG-CD1 4.33Å; F176-E286 HydrophobicContact CD1-CB 4.28Å; F176-E286 HydrophobicContact CD2-CB 3.73Å; F176-E286 HydrophobicContact CD2-CG 4.32Å; F176-E286 HydrophobicContact CE1-CB 3.93Å; F176-E286 HydrophobicContact CE2-CB 3.34Å; F176-E286 HydrophobicContact CE2-CG 4.09Å; F176-E286 HydrophobicContact CG-CB 4.19Å; F176-E286 HydrophobicContact CZ-CB 3.45Å; F176-E286 VanDerWaalsContact CZ-CB 3.45Å; F176-P287 HydrophobicContact CE1-CG 4.36Å; F176-P287 HydrophobicContact CZ-CG 4Å; F176-A290 HydrophobicContact CD1-CB 3.64Å; F176-A290 HydrophobicContact CE1-CB 4Å
177	K	96.8	Very high	97.3	Very high	125 Å²	125	46.8 Å²	46.8	54%	0.543	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-67	144.7	179.3	-67.2	173	-176.2	166.5	0	110.1	Y100	Y100-K177 WeakPolarHBondContact CE2-O 3.44Å
178	R	95.9	Very high	97.4	Very high	47 Å²	47	46.1 Å²	46.1	18%	0.177	25%	0.247	C	C	.	.	S	Bend	trans	-79.5	-6.4	170.3	-64.2	-166.9	-174.6	101.9	0.2	113.4	L96 P97 G98 H99 Y100 E104 P180 P181	L96-R178 HydrophobicContact CB-CB 3.99Å; L96-R178 VanDerWaalsContact O-CB 3.28Å; L96-R178 WeakPolarHBondContact O-CB 3.1Å; P97-R178 PolarHBondContact O-NH1 3.36Å; P97-R178 VanDerWaalsContact O-NH1 3.09Å; G98-R178 PolarHBondContact O-N 3.43Å; H99-R178 PolarHBondContact O-NH1 2.84Å; H99-R178 PolarHBondContact O-NH2 3.25Å; H99-R178 VanDerWaalsContact O-NH2 3.15Å; Y100-R178 HydrophobicContact CD1-CG 4.18Å; Y100-R178 HydrophobicContact CD2-CG 3.92Å; Y100-R178 HydrophobicContact CE1-CG 4.18Å; Y100-R178 HydrophobicContact CE2-CB 4.26Å; Y100-R178 HydrophobicContact CE2-CG 3.9Å; Y100-R178 HydrophobicContact CG-CG 4.06Å; E104-R178 VanDerWaalsContact CD-NH2 3.28Å; E104-R178 IonicContact OE1-CZ 3.01Å; E104-R178 IonicContact OE1-NE 3.05Å; E104-R178 PolarHBondContact OE1-NE 3.16Å; E104-R178 IonicContact OE1-NH2 3.99Å; E104-R178 PolarHBondContact OE1-NH2 3.27Å; E104-R178 VanDerWaalsContact OE1-NH2 3.07Å; E104-R178 IonicContact OE2-CZ 3.47Å; E104-R178 IonicContact OE2-NE 3.81Å; E104-R178 IonicContact OE2-NH2 3.07Å; E104-R178 PolarHBondContact OE2-NH2 3.47Å; R178-P180 CarbonylContact C-O 3.55Å; R178-P180 CarbonylContact O-C 3.27Å; R178-P181 VanDerWaalsContact O-CA 3.23Å; R178-P181 WeakPolarHBondContact O-CA 3.47Å
179	C	94.1	Very high	97.5	Very high	51 Å²	51	45.7 Å²	45.7	35%	0.345	25%	0.245	S	C	.	.	S	Bend	trans	-140	120.8	177.4	-164	0	0	0	0	112.4	C95	C95-C179 HydrophobicContact CB-CB 4.12Å; C95-C179 WeakPolarHBondContact CB-SG 3.43Å; C95-C179 WeakPolarHBondContact SG-CB 3.47Å; C95-C179 CovalentContact SG-SG 2.02Å; C95-C179 PolarHBondContact SG-SG 2.81Å
180	P	94.8	Very high	97.5	Very high	67 Å²	67	43.5 Å²	43.5	44%	0.435	23%	0.23	S	C	.	.	S	Bend	cis	-56.4	147.3	-10	27.6	-34.7	0	0	0	111	R178 A293	R178-P180 CarbonylContact C-O 3.55Å; R178-P180 CarbonylContact O-C 3.27Å; P180-A293 HydrophobicContact CB-CB 4.47Å; P180-A293 HydrophobicContact CG-CB 4.04Å; P180-A293 WeakPolarHBondContact CG-O 3.25Å
181	P	96.2	Very high	97.6	Very high	69 Å²	69	40.8 Å²	40.8	45%	0.448	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-64.2	150.7	179.2	27.9	-34.8	0	0	0	110.1	R178	R178-P181 VanDerWaalsContact O-CA 3.23Å; R178-P181 WeakPolarHBondContact O-CA 3.47Å
182	L	97.9	Very high	97.5	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.073	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-63.6	126.9	171.2	-68.5	178.8	0	0	0	108.9	Y100 F176 L214 A290	Y100-L182 HydrophobicContact CD2-CD1 3.97Å; Y100-L182 HydrophobicContact CD2-CG 4.23Å; Y100-L182 HydrophobicContact CE2-CB 4.17Å; Y100-L182 HydrophobicContact CE2-CD1 3.85Å; Y100-L182 HydrophobicContact CE2-CG 3.66Å; Y100-L182 PolarHBondContact OH-N 2.82Å; F176-L182 HydrophobicContact CB-CD1 3.96Å; F176-L182 HydrophobicContact CB-CD2 4.46Å; F176-L182 HydrophobicContact CB-CG 4.47Å; F176-L182 HydrophobicContact CG-CD1 4.33Å; L182-L214 HydrophobicContact CB-CD1 4.49Å; L182-L214 HydrophobicContact CB-CD2 3.52Å; L182-L214 HydrophobicContact CD1-CD1 3.89Å; L182-L214 HydrophobicContact CD1-CD2 4.19Å; L182-A290 VanDerWaalsContact CD2-CA 3.43Å; L182-A290 HydrophobicContact CD2-CB 3.66Å
183	P	98.3	Very high	97.5	Very high	20 Å²	20	39.2 Å²	39.2	13%	0.13	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-67.6	154.5	179.1	27	-34.5	0	0	0	110.8	D269 T270 L289	P183-D269 HydrophobicContact CB-CB 3.77Å; P183-T270 HydrophobicContact CB-CG2 3.82Å; P183-T270 HydrophobicContact CG-CG2 3.68Å; P183-L289 WeakPolarHBondContact CD-O 3.29Å; P183-L289 HydrophobicContact CG-CB 4.1Å; P183-L289 HydrophobicContact CG-CD2 4.43Å; P183-L289 WeakPolarHBondContact O-CD1 3.2Å
184	T	98.8	Very high	97.5	Very high	35 Å²	35	32.3 Å²	32.3	22%	0.215	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-74.5	155.8	167.5	62.3	0	0	0	0	110.7	L214 D269 T270	T184-L214 CarbonylContact C-O 3.53Å; T184-L214 WeakPolarHBondContact CA-O 3.37Å; T184-D269 PolarHBondContact N-OD2 3.27Å; T184-D269 PolarHBondContact O-N 3.02Å; T184-D269 VanDerWaalsContact O-N 3.17Å; T184-D269 PolarHBondContact OG1-N 3.46Å; T184-D269 PolarHBondContact OG1-OD2 3.44Å; T184-T270 PolarHBondContact O-N 2.81Å; T184-T270 PolarHBondContact O-OG1 3.08Å
185	T	98.9	Very high	97.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142	175.3	-167.7	0	0	0	0	112.7	V187 L214 L215 K216 T270 T272 L285 L289	T185-V187 HydrophobicContact CG2-CG2 4.13Å; T185-L214 PolarHBondContact N-O 3.4Å; T185-L215 HydrophobicContact CG2-CD1 4.46Å; T185-K216 VanDerWaalsContact O-CB 3.26Å; T185-K216 WeakPolarHBondContact O-CB 3.06Å; T185-K216 PolarHBondContact O-N 2.92Å; T185-T270 WeakPolarHBondContact CA-O 3.27Å; T185-T270 WeakPolarHBondContact CA-OG1 3.39Å; T185-T270 WeakPolarHBondContact CB-OG1 3.36Å; T185-T270 PolarHBondContact OG1-O 2.98Å; T185-T270 PolarHBondContact OG1-OG1 3.37Å; T185-T272 WeakPolarHBondContact OG1-CB 3.26Å; T185-T272 PolarHBondContact OG1-N 3.47Å; T185-T272 PolarHBondContact OG1-OG1 2.86Å; T185-L285 HydrophobicContact CG2-CD1 4.1Å; T185-L285 HydrophobicContact CG2-CD2 3.93Å; T185-L289 HydrophobicContact CG2-CD1 4.26Å
186	S	98.9	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.6	159.6	-64.2	0	0	0	0	108.4	E217 T267 G268 T270 T272	S186-E217 VanDerWaalsContact OG-CG 3.32Å; S186-E217 WeakPolarHBondContact OG-CG 3.36Å; S186-E217 PolarHBondContact OG-OE1 2.84Å; S186-T267 PolarHBondContact OG-N 3.48Å; S186-G268 PolarHBondContact OG-N 2.82Å; S186-T270 PolarHBondContact N-O 2.85Å; S186-T272 PolarHBondContact O-N 2.84Å
187	V	98.9	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.4	174.5	177.3	0	0	0	0	108.8	T185 I189 V206 L215 E217 I218 I219 T272 L274	T185-V187 HydrophobicContact CG2-CG2 4.13Å; V187-I189 HydrophobicContact CG1-CD1 4.22Å; V187-I189 HydrophobicContact CG1-CG1 4.13Å; V187-V206 HydrophobicContact CB-CG1 4.46Å; V187-V206 HydrophobicContact CG1-CG1 4.35Å; V187-V206 HydrophobicContact CG1-CG2 4.35Å; V187-V206 HydrophobicContact CG2-CG1 4.02Å; V187-L215 HydrophobicContact CB-CD1 4.32Å; V187-L215 HydrophobicContact CG2-CD1 3.54Å; V187-E217 PolarHBondContact N-O 3.45Å; V187-I218 HydrophobicContact CB-CG1 4.34Å; V187-I218 CarbonylContact O-C 3.18Å; V187-I218 WeakPolarHBondContact O-CA 3.4Å; V187-I219 PolarHBondContact O-N 2.87Å; V187-T272 CarbonylContact C-O 3.55Å; V187-T272 VanDerWaalsContact CA-O 3.26Å; V187-T272 WeakPolarHBondContact CA-O 3.31Å; V187-T272 HydrophobicContact CG2-CG2 4.5Å; V187-L274 HydrophobicContact CG1-CD1 3.98Å; V187-L274 HydrophobicContact CG1-CG 4.38Å
188	I	98.9	Very high	97.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.3	-178.5	-61.3	163.3	0	0	0	108.7	I219 V221 A263 A266 L271 T272 F273 L274	I188-I219 WeakPolarHBondContact CA-O 3.49Å; I188-I219 HydrophobicContact CG1-CB 4.37Å; I188-I219 HydrophobicContact CG1-CD1 4.25Å; I188-V221 HydrophobicContact CG2-CG2 4.16Å; I188-A263 HydrophobicContact CD1-CB 4.25Å; I188-A266 HydrophobicContact CD1-CB 4.34Å; I188-L271 HydrophobicContact CD1-CB 4.4Å; I188-L271 HydrophobicContact CD1-CD2 4.03Å; I188-T272 PolarHBondContact N-O 2.85Å; I188-F273 HydrophobicContact CB-CD1 3.82Å; I188-F273 HydrophobicContact CB-CE1 3.97Å; I188-F273 HydrophobicContact CD1-CD1 4.27Å; I188-F273 HydrophobicContact CD1-CE1 3.61Å; I188-F273 HydrophobicContact CD1-CZ 3.95Å; I188-F273 HydrophobicContact CG1-CE1 4.4Å; I188-F273 HydrophobicContact CG2-CD1 3.97Å; I188-F273 HydrophobicContact CG2-CE1 3.98Å; I188-F273 WeakPolarHBondContact O-CA 3.47Å; I188-L274 PolarHBondContact O-N 3.25Å; I188-L274 VanDerWaalsContact O-N 3.08Å
189	I	98.9	Very high	97.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.6	178.9	-61.8	160.9	0	0	0	108.2	V187 L199 T202 V203 I218 I219 L220 V221 L274 A276	V187-I189 HydrophobicContact CG1-CD1 4.22Å; V187-I189 HydrophobicContact CG1-CG1 4.13Å; I189-L199 HydrophobicContact CG2-CD1 4.38Å; I189-T202 HydrophobicContact CD1-CG2 3.87Å; I189-V203 HydrophobicContact CD1-CG2 4.47Å; I189-I218 HydrophobicContact CD1-CG2 3.98Å; I189-I219 PolarHBondContact N-O 3.04Å; I189-L220 HydrophobicContact CB-CD2 3.67Å; I189-L220 HydrophobicContact CD1-CD2 3.82Å; I189-L220 HydrophobicContact CG1-CD2 4.29Å; I189-L220 HydrophobicContact CG2-CD2 4.1Å; I189-L220 CarbonylContact O-C 3.48Å; I189-L220 WeakPolarHBondContact O-CA 3.42Å; I189-V221 PolarHBondContact O-N 3.33Å; I189-L274 WeakPolarHBondContact CA-O 3.16Å; I189-L274 HydrophobicContact CG1-CB 4.09Å; I189-A276 HydrophobicContact CG2-CB 3.77Å
190	V	98.5	Very high	98.1	Very high	16 Å²	16	17.9 Å²	17.9	10%	0.097	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.5	173.5	177.1	0	0	0	0	109.1	V221 D223 L255 A258 R259	V190-V221 WeakPolarHBondContact CA-O 3.36Å; V190-V221 HydrophobicContact CG2-CB 4.2Å; V190-D223 HydrophobicContact CG1-CB 4.46Å; V190-L255 HydrophobicContact CB-CD1 3.82Å; V190-L255 HydrophobicContact CG1-CD1 3.95Å; V190-L255 HydrophobicContact CG2-CD1 4.15Å; V190-A258 HydrophobicContact CB-CB 4.3Å; V190-A258 HydrophobicContact CG1-CB 3.47Å; V190-A258 VanDerWaalsContact CG1-CB 3.47Å; V190-A258 HydrophobicContact CG2-CB 3.79Å; V190-R259 HydrophobicContact CG2-CB 4.44Å; V190-R259 HydrophobicContact CG2-CG 3.61Å
191	F	98.3	Very high	98.2	Very high	5 Å²	5	14.9 Å²	14.9	2%	0.022	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.5	175	71.2	-82.9	0	0	0	112.3	E194 L199 L220 V221 D222 D223 L230 L234 A276	F191-E194 HydrophobicContact CB-CB 4.11Å; F191-L199 HydrophobicContact CB-CD1 4.31Å; F191-L199 HydrophobicContact CD1-CD1 4.27Å; F191-L199 HydrophobicContact CD2-CD2 4.19Å; F191-L199 HydrophobicContact CE2-CD2 4.27Å; F191-L199 HydrophobicContact CG-CD1 4.26Å; F191-L199 HydrophobicContact CG-CD2 4.32Å; F191-L199 HydrophobicContact CZ-CD2 4.46Å; F191-L220 HydrophobicContact CD1-CB 4.34Å; F191-L220 HydrophobicContact CE1-CB 3.88Å; F191-V221 WeakPolarHBondContact CD1-O 3.26Å; F191-V221 PolarHBondContact N-O 3.35Å; F191-D222 HydrophobicContact CE1-CB 3.8Å; F191-D222 HydrophobicContact CE2-CB 3.93Å; F191-D222 HydrophobicContact CZ-CB 3.42Å; F191-D222 VanDerWaalsContact CZ-CB 3.42Å; F191-D223 PolarHBondContact O-N 2.99Å; F191-L230 HydrophobicContact CD2-CD1 4.26Å; F191-L230 HydrophobicContact CE2-CB 4.24Å; F191-L230 HydrophobicContact CE2-CD1 4.16Å; F191-L230 HydrophobicContact CE2-CD2 4.44Å; F191-L234 HydrophobicContact CE1-CD2 4.47Å; F191-L234 HydrophobicContact CE2-CD2 4.21Å; F191-L234 HydrophobicContact CZ-CD2 3.71Å; F191-A276 HydrophobicContact CB-CB 3.74Å
192	H	96.9	Very high	98.4	Very high	20 Å²	20	11.7 Å²	11.7	9%	0.093	6%	0.059	C	C	.	.	S	Bend	trans	-145.9	110.3	172	177.8	71.6	0	0	0	108.8	E194 D223 A224 S225 R252 H421	H192-E194 PolarHBondContact O-N 3.33Å; H192-D223 HydrophobicContact CB-CB 4.33Å; H192-D223 PolarHBondContact ND1-O 3.17Å; H192-A224 PolarHBondContact CE1-O 3.35Å; H192-A224 PolarHBondContact ND1-O 2.95Å; H192-S225 WeakPolarHBondContact CA-OG 3.3Å; H192-R252 PolarHBondContact CE1-NE 2.69Å; H192-R252 PolarHBondContact NE2-NE 3.28Å; H192-R252 VanDerWaalsContact NE2-NE 3.14Å; H192-H421 AromaticContact CD2-ND1 3.61Å; H192-H421 PolarHBondContact O-CE1 3.02Å; H192-H421 VanDerWaalsContact O-CE1 3.29Å
193	N	96.6	Very high	98.4	Very high	37 Å²	37	11 Å²	11	20%	0.198	6%	0.056	C	C	.	.	S	Bend	trans	52.7	39.7	-176.4	-57.2	-29	0	0	0	113.6	H146 S225 V226	H146-N193 PolarHBondContact CE1-O 2.89Å; H146-N193 VanDerWaalsContact CE1-O 3.28Å; H146-N193 PolarHBondContact ND1-O 2.78Å; N193-S225 PolarHBondContact N-OG 2.66Å; N193-S225 VanDerWaalsContact OD1-CA 3.26Å; N193-S225 WeakPolarHBondContact OD1-CA 3.45Å; N193-S225 WeakPolarHBondContact OD1-CB 3.39Å; N193-V226 WeakPolarHBondContact ND2-CG2 3.46Å; N193-V226 WeakPolarHBondContact OD1-CG2 3.29Å; N193-V226 PolarHBondContact OD1-N 2.84Å
194	E	98.1	Very high	98.4	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.037	6%	0.057	C	C	.	.			trans	-74	148.4	176.5	-169.9	57.1	-94.6	0	0	111	F148 F191 H192 T198 L199 A276 H277 R416	F148-E194 WeakPolarHBondContact CZ-OE1 3.5Å; F191-E194 HydrophobicContact CB-CB 4.11Å; H192-E194 PolarHBondContact O-N 3.33Å; E194-T198 PolarHBondContact OE1-OG1 3.14Å; E194-L199 HydrophobicContact CB-CB 4.41Å; E194-L199 HydrophobicContact CG-CB 4.05Å; E194-A276 HydrophobicContact CB-CB 4.22Å; E194-A276 HydrophobicContact CG-CB 3.77Å; E194-H277 IonicContact OE2-CE1 3.47Å; E194-H277 IonicContact OE2-CG 3.32Å; E194-H277 IonicContact OE2-ND1 3.64Å; E194-H277 PolarHBondContact OE2-ND1 2.8Å; E194-R416 IonicContact OE1-NH2 3.19Å; E194-R416 PolarHBondContact OE1-NH2 3.4Å; E194-R416 IonicContact OE2-NH2 3.31Å; E194-R416 PolarHBondContact OE2-NH2 2.97Å
195	A	97.9	Very high	98.4	Very high	5 Å²	5	10.4 Å²	10.4	4%	0.041	5%	0.048	C	C	.	.			trans	-64.3	140.4	174.1	0	0	0	0	0	110.6	F148 V150 S197 T198 L199	F148-A195 HydrophobicContact CE2-CB 4.36Å; F148-A195 HydrophobicContact CZ-CB 3.96Å; V150-A195 HydrophobicContact CG1-CB 4.07Å; V150-A195 HydrophobicContact CG2-CB 4.07Å; A195-S197 VanDerWaalsContact C-N 3.29Å; A195-S197 PolarHBondContact O-N 3.06Å; A195-T198 PolarHBondContact O-N 2.8Å; A195-T198 PolarHBondContact O-OG1 3.02Å; A195-L199 WeakPolarHBondContact O-CB 3.34Å; A195-L199 PolarHBondContact O-N 2.76Å
196	W	98.4	Very high	98.4	Very high	72 Å²	72	10.4 Å²	10.4	27%	0.273	5%	0.048	S	C	.	.	H	α-helix	trans	-54.9	-45.4	-178	176.4	-92.6	0	0	0	112.4	L200 V229 L234 Y237	W196-L200 HydrophobicContact CD2-CD1 3.99Å; W196-L200 HydrophobicContact CD2-CG 4.47Å; W196-L200 HydrophobicContact CG-CD1 4.39Å; W196-L200 HydrophobicContact CH2-CD1 4.33Å; W196-L200 HydrophobicContact CZ2-CD1 3.51Å; W196-L200 VanDerWaalsContact NE1-CD1 3.3Å; W196-L200 WeakPolarHBondContact O-CB 3.4Å; W196-L200 PolarHBondContact O-N 3.36Å; W196-V229 HydrophobicContact CD2-CG2 4.24Å; W196-V229 HydrophobicContact CE3-CG1 4.48Å; W196-V229 HydrophobicContact CE3-CG2 3.65Å; W196-V229 HydrophobicContact CZ3-CG2 3.91Å; W196-V229 WeakPolarHBondContact CZ3-O 3.26Å; W196-L234 HydrophobicContact CE3-CD1 4.36Å; W196-L234 HydrophobicContact CH2-CD1 4.28Å; W196-L234 HydrophobicContact CZ3-CB 3.96Å; W196-L234 HydrophobicContact CZ3-CD1 3.8Å; W196-Y237 HydrophobicContact CH2-CD2 4.21Å; W196-Y237 AromaticContact CH2-CG 3.91Å; W196-Y237 HydrophobicContact CH2-CG 3.91Å; W196-Y237 HydrophobicContact CZ2-CD1 4.35Å; W196-Y237 AromaticContact CZ2-CD2 3.74Å; W196-Y237 HydrophobicContact CZ2-CD2 3.74Å; W196-Y237 HydrophobicContact CZ2-CE2 4.2Å; W196-Y237 AromaticContact CZ2-CG 3.81Å; W196-Y237 HydrophobicContact CZ2-CG 3.81Å
197	S	98.4	Very high	98.4	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.028	5%	0.05	C	C	.	.	H	α-helix	trans	-65.8	-41.9	-177.3	54.2	0	0	0	0	112.9	S153 D154 L158 A195 R201	S153-S197 WeakPolarHBondContact CB-OG 3.42Å; S153-S197 WeakPolarHBondContact OG-CB 3.46Å; S153-S197 PolarHBondContact OG-OG 2.73Å; D154-S197 WeakPolarHBondContact OD1-CB 3.44Å; D154-S197 PolarHBondContact OD1-OG 3.03Å; L158-S197 VanDerWaalsContact CD2-O 3.26Å; L158-S197 WeakPolarHBondContact CD2-O 3.26Å; A195-S197 VanDerWaalsContact C-N 3.29Å; A195-S197 PolarHBondContact O-N 3.06Å; S197-R201 WeakPolarHBondContact O-CB 3.23Å; S197-R201 PolarHBondContact O-N 2.56Å
198	T	98.3	Very high	98.4	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.012	5%	0.053	C	C	.	.	H	α-helix	trans	-72	-42.6	178.8	48.8	0	0	0	0	112.2	F148 S153 E194 A195 R201 T202 A276 F312	F148-T198 HydrophobicContact CE2-CG2 3.64Å; F148-T198 HydrophobicContact CZ-CG2 3.74Å; S153-T198 WeakPolarHBondContact OG-CG2 3.45Å; E194-T198 PolarHBondContact OE1-OG1 3.14Å; A195-T198 PolarHBondContact O-N 2.8Å; A195-T198 PolarHBondContact O-OG1 3.02Å; T198-R201 PolarHBondContact O-N 3.24Å; T198-T202 PolarHBondContact O-N 2.92Å; T198-T202 PolarHBondContact O-OG1 2.85Å; T198-A276 CarbonylContact C-O 3.55Å; T198-A276 VanDerWaalsContact C-O 3.27Å; T198-F312 HydrophobicContact CG2-CE1 3.88Å; T198-F312 HydrophobicContact CG2-CZ 3.96Å
199	L	98.8	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.3	-52.6	176.5	175.1	61.8	0	0	0	111	I189 F191 E194 A195 T202 V203 L220 L230 L234 A276	I189-L199 HydrophobicContact CG2-CD1 4.38Å; F191-L199 HydrophobicContact CB-CD1 4.31Å; F191-L199 HydrophobicContact CD1-CD1 4.27Å; F191-L199 HydrophobicContact CD2-CD2 4.19Å; F191-L199 HydrophobicContact CE2-CD2 4.27Å; F191-L199 HydrophobicContact CG-CD1 4.26Å; F191-L199 HydrophobicContact CG-CD2 4.32Å; F191-L199 HydrophobicContact CZ-CD2 4.46Å; E194-L199 HydrophobicContact CB-CB 4.41Å; E194-L199 HydrophobicContact CG-CB 4.05Å; A195-L199 WeakPolarHBondContact O-CB 3.34Å; A195-L199 PolarHBondContact O-N 2.76Å; L199-T202 WeakPolarHBondContact O-CB 3.47Å; L199-T202 PolarHBondContact O-N 3.3Å; L199-V203 PolarHBondContact O-N 3.33Å; L199-L220 HydrophobicContact CD1-CD2 4.48Å; L199-L230 HydrophobicContact CD2-CD2 3.96Å; L199-L234 HydrophobicContact CD2-CD1 4.21Å; L199-L234 HydrophobicContact CD2-CD2 3.94Å; L199-A276 VanDerWaalsContact CA-O 3.29Å; L199-A276 WeakPolarHBondContact CA-O 3.28Å; L199-A276 HydrophobicContact CD1-CB 3.88Å; L199-A276 PolarHBondContact N-O 3.34Å
200	L	98.6	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.9	-36.3	-179.3	-71.2	-173.3	0	0	0	112.7	L158 W196 T202 V203 Y204 L234 Y237 L238	L158-L200 HydrophobicContact CD1-CB 4.01Å; L158-L200 HydrophobicContact CD1-CD1 4.04Å; L158-L200 HydrophobicContact CD2-CB 4.23Å; W196-L200 HydrophobicContact CD2-CD1 3.99Å; W196-L200 HydrophobicContact CD2-CG 4.47Å; W196-L200 HydrophobicContact CG-CD1 4.39Å; W196-L200 HydrophobicContact CH2-CD1 4.33Å; W196-L200 HydrophobicContact CZ2-CD1 3.51Å; W196-L200 VanDerWaalsContact NE1-CD1 3.3Å; W196-L200 WeakPolarHBondContact O-CB 3.4Å; W196-L200 PolarHBondContact O-N 3.36Å; L200-T202 PolarHBondContact O-N 3.34Å; L200-V203 PolarHBondContact O-N 3.27Å; L200-V203 VanDerWaalsContact O-N 3.14Å; L200-Y204 HydrophobicContact CB-CD2 4.43Å; L200-Y204 VanDerWaalsContact O-CD2 3.28Å; L200-Y204 WeakPolarHBondContact O-CD2 3.46Å; L200-Y204 PolarHBondContact O-N 3.46Å; L200-L234 HydrophobicContact CD2-CD1 4.12Å; L200-Y237 HydrophobicContact CD1-CD1 3.85Å; L200-Y237 HydrophobicContact CD1-CE1 3.4Å; L200-Y237 VanDerWaalsContact CD1-CE1 3.4Å; L200-Y237 HydrophobicContact CD1-CE2 4.27Å; L200-Y237 HydrophobicContact CD1-CG 4.46Å; L200-Y237 HydrophobicContact CD2-CD1 3.85Å; L200-Y237 HydrophobicContact CD2-CE1 3.74Å; L200-Y237 HydrophobicContact CG-CE1 4.21Å; L200-L238 HydrophobicContact CD2-CD2 4.01Å
201	R	98.8	Very high	98.4	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.019	5%	0.052	C	C	.	.	H	α-helix	trans	-59.7	-37.3	174.1	-171.6	178.9	-55.5	108.8	8.9	111.1	S153 V156 S157 L158 S197 T198 S205 E279	S153-R201 PolarHBondContact O-NH2 3.15Å; S153-R201 PolarHBondContact OG-NH1 2.64Å; S153-R201 PolarHBondContact OG-NH2 3.35Å; V156-R201 PolarHBondContact O-NH2 2.92Å; S157-R201 PolarHBondContact O-NE 3.08Å; L158-R201 HydrophobicContact CD2-CB 4.28Å; S197-R201 WeakPolarHBondContact O-CB 3.23Å; S197-R201 PolarHBondContact O-N 2.56Å; T198-R201 PolarHBondContact O-N 3.24Å; R201-S205 WeakPolarHBondContact O-CB 3.38Å; R201-S205 PolarHBondContact O-N 3.22Å; R201-E279 VanDerWaalsContact CD-OE1 3.3Å; R201-E279 WeakPolarHBondContact CD-OE1 3.33Å; R201-E279 HydrophobicContact CG-CG 4.11Å
202	T	98.9	Very high	98.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-49.7	172.8	-54	0	0	0	0	111.4	I189 T198 L199 L200 Y204 S205 V206 D275 A276 H277 C278	I189-T202 HydrophobicContact CD1-CG2 3.87Å; T198-T202 PolarHBondContact O-N 2.92Å; T198-T202 PolarHBondContact O-OG1 2.85Å; L199-T202 WeakPolarHBondContact O-CB 3.47Å; L199-T202 PolarHBondContact O-N 3.3Å; L200-T202 PolarHBondContact O-N 3.34Å; T202-Y204 PolarHBondContact O-N 3.41Å; T202-S205 PolarHBondContact O-N 3.48Å; T202-V206 WeakPolarHBondContact O-CG2 3.37Å; T202-V206 PolarHBondContact O-N 3.31Å; T202-D275 WeakPolarHBondContact CG2-O 3.27Å; T202-A276 PolarHBondContact OG1-O 3.18Å; T202-A276 VanDerWaalsContact OG1-O 3.05Å; T202-H277 PolarHBondContact OG1-N 2.98Å; T202-C278 VanDerWaalsContact CA-O 3.29Å; T202-C278 WeakPolarHBondContact CA-O 3.32Å; T202-C278 HydrophobicContact CG2-CB 4.05Å; T202-C278 PolarHBondContact OG1-N 2.63Å; T202-C278 PolarHBondContact OG1-O 2.71Å; T202-C278 VanDerWaalsContact OG1-O 3.14Å
203	V	98.8	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59	-50.1	178.4	174.7	0	0	0	0	111.7	I189 L199 L200 S205 V206 L207 I218 L220 L241 V244	I189-V203 HydrophobicContact CD1-CG2 4.47Å; L199-V203 PolarHBondContact O-N 3.33Å; L200-V203 PolarHBondContact O-N 3.27Å; L200-V203 VanDerWaalsContact O-N 3.14Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 2.9Å; V203-V206 PolarHBondContact O-N 2.83Å; V203-L207 HydrophobicContact CG1-CD1 4.04Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 3.29Å; V203-I218 HydrophobicContact CG1-CD1 4.37Å; V203-L220 HydrophobicContact CG2-CD1 4.03Å; V203-L220 HydrophobicContact CG2-CD2 3.83Å; V203-L220 HydrophobicContact CG2-CG 4.46Å; V203-L241 HydrophobicContact CG1-CD1 4.04Å; V203-V244 HydrophobicContact CG1-CG1 4.23Å; V203-V244 HydrophobicContact CG1-CG2 4.04Å
204	Y	98.7	Very high	98.5	Very high	36 Å²	36	14.9 Å²	14.9	14%	0.141	8%	0.079	C	C	.	.	H	α-helix	trans	-63.7	-39.3	178	-83.9	-70.2	0	0	0	111.9	L109 L158 L200 T202 V206 L207 H208 Y237 L241	L109-Y204 HydrophobicContact CD2-CD1 4.03Å; L109-Y204 HydrophobicContact CD2-CE1 4Å; L158-Y204 HydrophobicContact CB-CD2 3.96Å; L158-Y204 HydrophobicContact CB-CE2 4.47Å; L158-Y204 HydrophobicContact CD1-CD2 4.43Å; L158-Y204 HydrophobicContact CD1-CE2 4.27Å; L158-Y204 WeakPolarHBondContact O-CB 3.14Å; L200-Y204 HydrophobicContact CB-CD2 4.43Å; L200-Y204 VanDerWaalsContact O-CD2 3.28Å; L200-Y204 WeakPolarHBondContact O-CD2 3.46Å; L200-Y204 PolarHBondContact O-N 3.46Å; T202-Y204 PolarHBondContact O-N 3.41Å; Y204-V206 VanDerWaalsContact C-N 3.35Å; Y204-V206 PolarHBondContact O-N 3.34Å; Y204-L207 PolarHBondContact O-N 2.88Å; Y204-H208 AromaticContact CD1-NE2 3.7Å; Y204-H208 VanDerWaalsContact O-CB 3.31Å; Y204-H208 WeakPolarHBondContact O-CB 3.36Å; Y204-H208 PolarHBondContact O-CD2 3.14Å; Y204-H208 PolarHBondContact O-N 3.3Å; Y204-Y237 HydrophobicContact CE2-CE1 4.1Å; Y204-Y237 WeakPolarHBondContact CE2-OH 3.28Å; Y204-Y237 PolarHBondContact OH-OH 2.94Å; Y204-Y237 VanDerWaalsContact OH-OH 3.09Å; Y204-L241 HydrophobicContact CE1-CD2 4.36Å
205	S	98.9	Very high	98.6	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-45.5	177.1	-167.7	0	0	0	0	111.4	R201 T202 V203 H208 T209 C280	R201-S205 WeakPolarHBondContact O-CB 3.38Å; R201-S205 PolarHBondContact O-N 3.22Å; T202-S205 PolarHBondContact O-N 3.48Å; V203-S205 VanDerWaalsContact C-N 3.33Å; V203-S205 PolarHBondContact O-N 2.9Å; S205-H208 PolarHBondContact O-N 3.34Å; S205-T209 WeakPolarHBondContact O-CB 3.41Å; S205-T209 WeakPolarHBondContact O-CG2 3.24Å; S205-T209 PolarHBondContact O-N 2.04Å; S205-T209 VanDerWaalsContact O-N 3.15Å; S205-T209 PolarHBondContact O-OG1 2.93Å; S205-C280 PolarHBondContact OG-N 3.32Å; S205-C280 PolarHBondContact OG-O 3.08Å
206	V	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-48.8	173.7	173.8	0	0	0	0	111	V187 T202 V203 Y204 H208 T209 S210 L215 I218 L274 W284	V187-V206 HydrophobicContact CB-CG1 4.46Å; V187-V206 HydrophobicContact CG1-CG1 4.35Å; V187-V206 HydrophobicContact CG1-CG2 4.35Å; V187-V206 HydrophobicContact CG2-CG1 4.02Å; T202-V206 WeakPolarHBondContact O-CG2 3.37Å; T202-V206 PolarHBondContact O-N 3.31Å; V203-V206 PolarHBondContact O-N 2.83Å; Y204-V206 VanDerWaalsContact C-N 3.35Å; Y204-V206 PolarHBondContact O-N 3.34Å; V206-H208 VanDerWaalsContact C-N 3.3Å; V206-H208 PolarHBondContact O-N 3.47Å; V206-T209 PolarHBondContact O-N 3.34Å; V206-S210 WeakPolarHBondContact O-CB 3.19Å; V206-S210 PolarHBondContact O-N 3.41Å; V206-S210 PolarHBondContact O-OG 3.39Å; V206-L215 HydrophobicContact CG1-CD1 4.07Å; V206-L215 HydrophobicContact CG1-CD2 4.11Å; V206-I218 HydrophobicContact CB-CD1 4.01Å; V206-I218 HydrophobicContact CG1-CD1 3.6Å; V206-I218 HydrophobicContact CG1-CG1 4.09Å; V206-L274 HydrophobicContact CG2-CD1 3.57Å; V206-W284 HydrophobicContact CG2-CZ2 4.48Å
207	L	98.6	Very high	98.6	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-37.6	180	-70.4	170.9	0	0	0	112.9	A108 L109 V203 Y204 L215 I218 L241 I243 V244	A108-L207 HydrophobicContact CB-CD2 4.26Å; A108-L207 PolarHBondContact N-O 2.97Å; L109-L207 HydrophobicContact CB-CB 3.92Å; L109-L207 HydrophobicContact CD2-CB 4.34Å; L109-L207 HydrophobicContact CD2-CD1 4.35Å; L109-L207 PolarHBondContact N-O 3.41Å; V203-L207 HydrophobicContact CG1-CD1 4.04Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 3.29Å; Y204-L207 PolarHBondContact O-N 2.88Å; L207-L215 HydrophobicContact CD2-CD2 4.06Å; L207-I218 HydrophobicContact CD2-CD1 3.79Å; L207-I218 HydrophobicContact CG-CD1 3.82Å; L207-L241 HydrophobicContact CD1-CD1 4.05Å; L207-L241 HydrophobicContact CD1-CD2 4.21Å; L207-I243 HydrophobicContact CD2-CD1 3.77Å; L207-I243 HydrophobicContact CD2-CG1 4Å; L207-V244 HydrophobicContact CD1-CG2 4.37Å
208	H	98.6	Very high	98.6	Very high	13 Å²	13	17.2 Å²	17.2	6%	0.06	9%	0.091	C	C	.	.	H	α-helix	trans	-78.3	-17.4	-178.2	-69.3	-41.8	0	0	0	114.5	P107 L109 R111 S159 Y204 S205 V206	P107-H208 VanDerWaalsContact CB-O 3.27Å; P107-H208 WeakPolarHBondContact CB-O 3.32Å; L109-H208 WeakPolarHBondContact O-CA 3.19Å; L109-H208 PolarHBondContact O-ND1 3.41Å; R111-H208 WeakPolarHBondContact CA-ND1 3.37Å; R111-H208 HydrophobicContact CB-CB 4.35Å; S159-H208 WeakPolarHBondContact CB-NE2 3.45Å; S159-H208 PolarHBondContact OG-NE2 3Å; Y204-H208 AromaticContact CD1-NE2 3.7Å; Y204-H208 VanDerWaalsContact O-CB 3.31Å; Y204-H208 WeakPolarHBondContact O-CB 3.36Å; Y204-H208 PolarHBondContact O-CD2 3.14Å; Y204-H208 PolarHBondContact O-N 3.3Å; S205-H208 PolarHBondContact O-N 3.34Å; V206-H208 VanDerWaalsContact C-N 3.3Å; V206-H208 PolarHBondContact O-N 3.47Å
209	T	98.6	Very high	98.7	Very high	13 Å²	13	17.1 Å²	17.1	8%	0.08	9%	0.09	C	C	.	.	H	α-helix	trans	-123.9	-10.2	-170.9	60.3	0	0	0	0	113.9	S205 V206 C280 W284	S205-T209 WeakPolarHBondContact O-CB 3.41Å; S205-T209 WeakPolarHBondContact O-CG2 3.24Å; S205-T209 PolarHBondContact O-N 2.04Å; S205-T209 VanDerWaalsContact O-N 3.15Å; S205-T209 PolarHBondContact O-OG1 2.93Å; V206-T209 PolarHBondContact O-N 3.34Å; T209-C280 HydrophobicContact CG2-CB 4.4Å; T209-C280 VanDerWaalsContact OG1-CB 3.24Å; T209-C280 WeakPolarHBondContact OG1-CB 3.38Å; T209-W284 PolarHBondContact OG1-NE1 3.49Å; T209-W284 VanDerWaalsContact OG1-NE1 3.08Å
210	S	98.7	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-98.5	126.2	179.5	-52.1	0	0	0	0	110.6	P107 A108 V206 A212	P107-S210 CarbonylContact C-O 3.49Å; P107-S210 VanDerWaalsContact CA-O 3.28Å; P107-S210 WeakPolarHBondContact CA-O 3.42Å; A108-S210 PolarHBondContact N-O 3.21Å; V206-S210 WeakPolarHBondContact O-CB 3.19Å; V206-S210 PolarHBondContact O-N 3.41Å; V206-S210 PolarHBondContact O-OG 3.39Å; S210-A212 PolarHBondContact O-N 2.7Å
211	P	98.6	Very high	98.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-56.1	134.9	176.3	-29.7	37.2	0	0	0	113.3	L105 R106 I213 L214 L215 E286	L105-P211 HydrophobicContact CB-CB 4.4Å; L105-P211 HydrophobicContact CB-CG 4.19Å; L105-P211 HydrophobicContact CD2-CB 4.11Å; L105-P211 HydrophobicContact CD2-CG 4.09Å; R106-P211 CarbonylContact O-C 3.52Å; R106-P211 VanDerWaalsContact O-CA 3.3Å; R106-P211 WeakPolarHBondContact O-CA 3.38Å; P211-I213 HydrophobicContact CB-CG1 4.46Å; P211-I213 PolarHBondContact O-N 2.9Å; P211-L214 HydrophobicContact CB-CB 4.39Å; P211-L214 HydrophobicContact CB-CD1 3.97Å; P211-L214 HydrophobicContact CB-CG 3.99Å; P211-L214 HydrophobicContact CG-CD1 3.94Å; P211-L214 PolarHBondContact O-N 3.05Å; P211-L215 PolarHBondContact O-N 2.9Å; P211-E286 HydrophobicContact CG-CG 3.93Å; P211-E286 WeakPolarHBondContact CG-OE1 3.5Å
212	A	98.3	Very high	98.7	Very high	55 Å²	55	17.3 Å²	17.3	46%	0.455	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.8	-175.7	0	0	0	0	0	113	R106 A108 S210 L214	R106-A212 PolarHBondContact O-N 3.05Å; A108-A212 HydrophobicContact CB-CB 4.45Å; S210-A212 PolarHBondContact O-N 2.7Å; A212-L214 VanDerWaalsContact C-N 3.26Å; A212-L214 PolarHBondContact O-N 3.18Å
213	I	98	Very high	98.6	Very high	81 Å²	81	17.5 Å²	17.5	42%	0.415	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-19	179	66.2	172.1	0	0	0	113.2	Y100 E104 L105 P211	Y100-I213 HydrophobicContact CD1-CD1 3.85Å; Y100-I213 HydrophobicContact CE1-CD1 3.71Å; E104-I213 HydrophobicContact CB-CD1 4.37Å; L105-I213 HydrophobicContact CD2-CD1 4.22Å; P211-I213 HydrophobicContact CB-CG1 4.46Å; P211-I213 PolarHBondContact O-N 2.9Å
214	L	98.6	Very high	98.5	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-34.6	-177.3	-54	-178.7	0	0	0	111.6	L105 L182 T184 T185 P211 A212 K216 L285 E286 L289	L105-L214 HydrophobicContact CD2-CD1 4.4Å; L182-L214 HydrophobicContact CB-CD1 4.49Å; L182-L214 HydrophobicContact CB-CD2 3.52Å; L182-L214 HydrophobicContact CD1-CD1 3.89Å; L182-L214 HydrophobicContact CD1-CD2 4.19Å; T184-L214 CarbonylContact C-O 3.53Å; T184-L214 WeakPolarHBondContact CA-O 3.37Å; T185-L214 PolarHBondContact N-O 3.4Å; P211-L214 HydrophobicContact CB-CB 4.39Å; P211-L214 HydrophobicContact CB-CD1 3.97Å; P211-L214 HydrophobicContact CB-CG 3.99Å; P211-L214 HydrophobicContact CG-CD1 3.94Å; P211-L214 PolarHBondContact O-N 3.05Å; A212-L214 VanDerWaalsContact C-N 3.26Å; A212-L214 PolarHBondContact O-N 3.18Å; L214-K216 PolarHBondContact O-N 3.14Å; L214-L285 HydrophobicContact CB-CD2 4.3Å; L214-E286 HydrophobicContact CD1-CG 4.04Å; L214-L289 HydrophobicContact CB-CD1 4.01Å; L214-L289 HydrophobicContact CD1-CD1 4.1Å; L214-L289 HydrophobicContact CG-CD1 4.48Å
215	L	98.8	Very high	98.5	Very high	9 Å²	9	17.5 Å²	17.5	5%	0.047	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	98.1	-177.9	-175	64.3	0	0	0	111.1	A108 T185 V187 V206 L207 P211 I218 I243	A108-L215 HydrophobicContact CB-CD2 3.94Å; T185-L215 HydrophobicContact CG2-CD1 4.46Å; V187-L215 HydrophobicContact CB-CD1 4.32Å; V187-L215 HydrophobicContact CG2-CD1 3.54Å; V206-L215 HydrophobicContact CG1-CD1 4.07Å; V206-L215 HydrophobicContact CG1-CD2 4.11Å; L207-L215 HydrophobicContact CD2-CD2 4.06Å; P211-L215 PolarHBondContact O-N 2.9Å; L215-I218 HydrophobicContact CD1-CG1 4.09Å; L215-I218 HydrophobicContact CD2-CD1 4.18Å; L215-I218 HydrophobicContact CD2-CG1 4.24Å; L215-I243 HydrophobicContact CD2-CD1 3.57Å; L215-I243 HydrophobicContact CG-CD1 3.88Å
216	K	98.6	Very high	98.4	Very high	114 Å²	114	22 Å²	22	50%	0.496	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-45.6	-179.4	-172	66.7	174.8	-172.8	0	112	T185 L214	T185-K216 VanDerWaalsContact O-CB 3.26Å; T185-K216 WeakPolarHBondContact O-CB 3.06Å; T185-K216 PolarHBondContact O-N 2.92Å; L214-K216 PolarHBondContact O-N 3.14Å
217	E	98.6	Very high	98.2	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.07	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	157.5	-175.6	57.3	-174.5	141	0	0	111.2	S186 V187 I219 I243 R245 T267	S186-E217 VanDerWaalsContact OG-CG 3.32Å; S186-E217 WeakPolarHBondContact OG-CG 3.36Å; S186-E217 PolarHBondContact OG-OE1 2.84Å; V187-E217 PolarHBondContact N-O 3.45Å; E217-I219 HydrophobicContact CG-CD1 4.13Å; E217-I219 HydrophobicContact CG-CG1 4.14Å; E217-I243 CarbonylContact C-O 3.11Å; E217-I243 WeakPolarHBondContact CA-O 3.49Å; E217-R245 IonicContact OE1-NH2 2.72Å; E217-R245 IonicContact OE2-CZ 2.66Å; E217-R245 IonicContact OE2-NE 3.67Å; E217-R245 PolarHBondContact OE2-NE 2.93Å; E217-R245 IonicContact OE2-NH2 2.7Å; E217-R245 PolarHBondContact OE2-NH2 3.14Å; E217-T267 WeakPolarHBondContact OE1-CB 3.3Å; E217-T267 PolarHBondContact OE1-N 2.89Å; E217-T267 PolarHBondContact OE1-OG1 3.37Å
218	I	98.9	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120	167.2	-56.6	177.4	0	0	0	107.8	V187 I189 V203 V206 L207 L215 L220 I243 V244 R245	V187-I218 HydrophobicContact CB-CG1 4.34Å; V187-I218 CarbonylContact O-C 3.18Å; V187-I218 WeakPolarHBondContact O-CA 3.4Å; I189-I218 HydrophobicContact CD1-CG2 3.98Å; V203-I218 HydrophobicContact CG1-CD1 4.37Å; V206-I218 HydrophobicContact CB-CD1 4.01Å; V206-I218 HydrophobicContact CG1-CD1 3.6Å; V206-I218 HydrophobicContact CG1-CG1 4.09Å; L207-I218 HydrophobicContact CD2-CD1 3.79Å; L207-I218 HydrophobicContact CG-CD1 3.82Å; L215-I218 HydrophobicContact CD1-CG1 4.09Å; L215-I218 HydrophobicContact CD2-CD1 4.18Å; L215-I218 HydrophobicContact CD2-CG1 4.24Å; I218-L220 HydrophobicContact CG2-CD2 4.02Å; I218-I243 PolarHBondContact N-O 3.33Å; I218-V244 HydrophobicContact CB-CB 4.49Å; I218-V244 HydrophobicContact CB-CG1 4.2Å; I218-V244 HydrophobicContact CB-CG2 4.16Å; I218-V244 HydrophobicContact CD1-CG2 4.15Å; I218-V244 HydrophobicContact CG2-CG1 4.23Å; I218-V244 WeakPolarHBondContact O-CA 3.14Å; I218-R245 PolarHBondContact O-N 2.77Å
219	I	98.9	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108.3	-179.4	-58.7	161.2	0	0	0	107.9	V187 I188 I189 E217 V221 R245 V247 V265 A266	V187-I219 PolarHBondContact O-N 2.87Å; I188-I219 WeakPolarHBondContact CA-O 3.49Å; I188-I219 HydrophobicContact CG1-CB 4.37Å; I188-I219 HydrophobicContact CG1-CD1 4.25Å; I189-I219 PolarHBondContact N-O 3.04Å; E217-I219 HydrophobicContact CG-CD1 4.13Å; E217-I219 HydrophobicContact CG-CG1 4.14Å; I219-V221 HydrophobicContact CG2-CG2 3.95Å; I219-R245 HydrophobicContact CG1-CG 4.36Å; I219-V247 HydrophobicContact CG2-CG2 3.8Å; I219-V265 HydrophobicContact CD1-CG2 4.11Å; I219-V265 HydrophobicContact CG2-CG2 4.15Å; I219-A266 HydrophobicContact CD1-CB 3.77Å
220	L	98.8	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123	170.4	-55	-173.2	0	0	0	108.8	I189 F191 L199 V203 I218 L238 V244 R245 V246 V247	I189-L220 HydrophobicContact CB-CD2 3.67Å; I189-L220 HydrophobicContact CD1-CD2 3.82Å; I189-L220 HydrophobicContact CG1-CD2 4.29Å; I189-L220 HydrophobicContact CG2-CD2 4.1Å; I189-L220 CarbonylContact O-C 3.48Å; I189-L220 WeakPolarHBondContact O-CA 3.42Å; F191-L220 HydrophobicContact CD1-CB 4.34Å; F191-L220 HydrophobicContact CE1-CB 3.88Å; L199-L220 HydrophobicContact CD1-CD2 4.48Å; V203-L220 HydrophobicContact CG2-CD1 4.03Å; V203-L220 HydrophobicContact CG2-CD2 3.83Å; V203-L220 HydrophobicContact CG2-CG 4.46Å; I218-L220 HydrophobicContact CG2-CD2 4.02Å; L220-L238 HydrophobicContact CD1-CD1 3.47Å; L220-L238 VanDerWaalsContact CD1-CD1 3.47Å; L220-L238 HydrophobicContact CD1-CD2 4.45Å; L220-V244 HydrophobicContact CD1-CG1 4.24Å; L220-V244 HydrophobicContact CG-CG1 4.21Å; L220-R245 PolarHBondContact N-O 3.41Å; L220-V246 HydrophobicContact CB-CG2 4.32Å; L220-V246 HydrophobicContact CD1-CG2 4.42Å; L220-V246 CarbonylContact O-C 3.55Å; L220-V246 WeakPolarHBondContact O-CA 3.47Å; L220-V247 PolarHBondContact O-N 3.35Å
221	V	98.8	Very high	97.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	110	177.3	-169.3	0	0	0	0	109.4	I188 I189 V190 F191 I219 D223 V247 A258 L261	I188-V221 HydrophobicContact CG2-CG2 4.16Å; I189-V221 PolarHBondContact O-N 3.33Å; V190-V221 WeakPolarHBondContact CA-O 3.36Å; V190-V221 HydrophobicContact CG2-CB 4.2Å; F191-V221 WeakPolarHBondContact CD1-O 3.26Å; F191-V221 PolarHBondContact N-O 3.35Å; I219-V221 HydrophobicContact CG2-CG2 3.95Å; V221-D223 PolarHBondContact O-N 2.73Å; V221-V247 WeakPolarHBondContact CA-O 3.42Å; V221-A258 HydrophobicContact CB-CB 4.44Å; V221-A258 HydrophobicContact CG1-CB 3.82Å; V221-L261 HydrophobicContact CG1-CB 4.48Å; V221-L261 HydrophobicContact CG1-CD2 4.04Å; V221-L261 HydrophobicContact CG1-CG 4.43Å
222	D	98.6	Very high	97.7	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	111.6	175	-179.9	16.9	0	0	0	110	F191 A224 S225 V246 V247 R248 Q249	F191-D222 HydrophobicContact CE1-CB 3.8Å; F191-D222 HydrophobicContact CE2-CB 3.93Å; F191-D222 HydrophobicContact CZ-CB 3.42Å; F191-D222 VanDerWaalsContact CZ-CB 3.42Å; D222-A224 PolarHBondContact O-N 2.85Å; D222-A224 VanDerWaalsContact O-N 3.11Å; D222-A224 PolarHBondContact OD1-N 2.99Å; D222-S225 WeakPolarHBondContact OD1-CB 3.01Å; D222-S225 PolarHBondContact OD1-N 3.34Å; D222-S225 PolarHBondContact OD1-OG 3.23Å; D222-V246 HydrophobicContact CB-CG1 4.49Å; D222-V247 PolarHBondContact N-O 3.42Å; D222-R248 WeakPolarHBondContact OD2-CD 3.42Å; D222-R248 IonicContact OD2-CZ 2.8Å; D222-R248 IonicContact OD2-NE 3.61Å; D222-R248 IonicContact OD2-NH1 2.7Å; D222-R248 PolarHBondContact OD2-NH1 2.96Å; D222-Q249 WeakPolarHBondContact O-CA 3.5Å; D222-Q249 VanDerWaalsContact O-CB 3.28Å; D222-Q249 WeakPolarHBondContact O-CB 3.41Å; D222-Q249 PolarHBondContact O-N 3.18Å
223	D	97.7	Very high	97.6	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	63.4	173.6	-177	29.4	0	0	0	111.2	V190 F191 H192 V221 Q249 R252 K253 G254 A258	V190-D223 HydrophobicContact CG1-CB 4.46Å; F191-D223 PolarHBondContact O-N 2.99Å; H192-D223 HydrophobicContact CB-CB 4.33Å; H192-D223 PolarHBondContact ND1-O 3.17Å; V221-D223 PolarHBondContact O-N 2.73Å; D223-Q249 PolarHBondContact OD1-NE2 3.05Å; D223-R252 WeakPolarHBondContact OD1-CA 3.24Å; D223-K253 PolarHBondContact OD1-N 2.83Å; D223-G254 PolarHBondContact OD1-N 3.29Å; D223-G254 WeakPolarHBondContact OD2-CA 3.47Å; D223-G254 PolarHBondContact OD2-N 3.25Å; D223-A258 HydrophobicContact CB-CB 4.21Å
224	A	97.2	Very high	97.5	Very high	25 Å²	25	38.6 Å²	38.6	21%	0.207	21%	0.207	C	C	.	.	S	Bend	trans	55	53.4	177.9	0	0	0	0	0	114	H192 D222 Q249 R252	H192-A224 PolarHBondContact CE1-O 3.35Å; H192-A224 PolarHBondContact ND1-O 2.95Å; D222-A224 PolarHBondContact O-N 2.85Å; D222-A224 VanDerWaalsContact O-N 3.11Å; D222-A224 PolarHBondContact OD1-N 2.99Å; A224-Q249 WeakPolarHBondContact CA-O 3.26Å; A224-Q249 WeakPolarHBondContact CB-O 3.47Å; A224-Q249 PolarHBondContact N-O 3Å; A224-R252 HydrophobicContact CB-CB 4.13Å
225	S	97.6	Very high	97.4	Very high	11 Å²	11	41.1 Å²	41.1	8%	0.077	22%	0.22	C	C	.	.			trans	-62	145.4	171.1	-58.2	0	0	0	0	111.6	H192 N193 D222	H192-S225 WeakPolarHBondContact CA-OG 3.3Å; N193-S225 PolarHBondContact N-OG 2.66Å; N193-S225 VanDerWaalsContact OD1-CA 3.26Å; N193-S225 WeakPolarHBondContact OD1-CA 3.45Å; N193-S225 WeakPolarHBondContact OD1-CB 3.39Å; D222-S225 WeakPolarHBondContact OD1-CB 3.01Å; D222-S225 PolarHBondContact OD1-N 3.34Å; D222-S225 PolarHBondContact OD1-OG 3.23Å
226	V	96.3	Very high	97.2	Very high	101 Å²	101	45.8 Å²	45.8	61%	0.612	24%	0.242	S	C	*	.			trans	-97.1	-30	-179.4	-113.2	0	0	0	0	112.5	N193 D228 K231	N193-V226 WeakPolarHBondContact ND2-CG2 3.46Å; N193-V226 WeakPolarHBondContact OD1-CG2 3.29Å; N193-V226 PolarHBondContact OD1-N 2.84Å; V226-D228 PolarHBondContact O-N 2.69Å; V226-K231 WeakPolarHBondContact O-CE 3.36Å; V226-K231 PolarHBondContact O-NZ 3.3Å; V226-K231 VanDerWaalsContact O-NZ 3.12Å
227	D	95	Very high	97.1	Very high	38 Å²	38	43 Å²	43	20%	0.203	23%	0.228	C	C	.	.			trans	-60	124.6	-178.9	-69.3	-27.9	0	0	0	111.8	K145 V229 L230	K145-D227 WeakPolarHBondContact CE-OD2 3.49Å; K145-D227 IonicContact NZ-OD1 3.67Å; K145-D227 PolarHBondContact NZ-OD1 2.68Å; K145-D227 IonicContact NZ-OD2 2.65Å; K145-D227 PolarHBondContact NZ-OD2 2.74Å; D227-V229 VanDerWaalsContact C-N 3.32Å; D227-V229 HydrophobicContact CB-CG1 4.49Å; D227-V229 PolarHBondContact O-N 3.11Å; D227-L230 HydrophobicContact CB-CD1 4.04Å; D227-L230 HydrophobicContact CB-CG 4.11Å; D227-L230 WeakPolarHBondContact O-CB 3.39Å; D227-L230 PolarHBondContact O-N 2.71Å
228	D	96.4	Very high	96.9	Very high	116 Å²	116	42.5 Å²	42.5	62%	0.62	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-64.4	-35	-173.8	-69.1	-35.3	0	0	0	113.1	V226 L230 K231	V226-D228 PolarHBondContact O-N 2.69Å; D228-L230 PolarHBondContact O-N 2.7Å; D228-L230 VanDerWaalsContact O-N 3.11Å; D228-K231 WeakPolarHBondContact O-CB 3.24Å; D228-K231 PolarHBondContact O-N 3.17Å; D228-K231 IonicContact OD1-NZ 4Å; D228-K231 PolarHBondContact OD1-NZ 3.35Å
229	V	96.4	Very high	96.6	Very high	61 Å²	61	49.2 Å²	49.2	37%	0.37	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-60.5	-23.3	176.5	74.9	0	0	0	0	112.5	W196 D227 K231 D233 L234	W196-V229 HydrophobicContact CD2-CG2 4.24Å; W196-V229 HydrophobicContact CE3-CG1 4.48Å; W196-V229 HydrophobicContact CE3-CG2 3.65Å; W196-V229 HydrophobicContact CZ3-CG2 3.91Å; W196-V229 WeakPolarHBondContact CZ3-O 3.26Å; D227-V229 VanDerWaalsContact C-N 3.32Å; D227-V229 HydrophobicContact CB-CG1 4.49Å; D227-V229 PolarHBondContact O-N 3.11Å; V229-K231 VanDerWaalsContact C-N 3.31Å; V229-D233 HydrophobicContact CG2-CB 4.4Å; V229-L234 PolarHBondContact O-N 3.13Å
230	L	97.6	Very high	96.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-84.6	-4.3	177.8	-62.3	179.6	0	0	0	112.7	F191 L199 D227 D228 L234 R248	F191-L230 HydrophobicContact CD2-CD1 4.26Å; F191-L230 HydrophobicContact CE2-CB 4.24Å; F191-L230 HydrophobicContact CE2-CD1 4.16Å; F191-L230 HydrophobicContact CE2-CD2 4.44Å; L199-L230 HydrophobicContact CD2-CD2 3.96Å; D227-L230 HydrophobicContact CB-CD1 4.04Å; D227-L230 HydrophobicContact CB-CG 4.11Å; D227-L230 WeakPolarHBondContact O-CB 3.39Å; D227-L230 PolarHBondContact O-N 2.71Å; D228-L230 PolarHBondContact O-N 2.7Å; D228-L230 VanDerWaalsContact O-N 3.11Å; L230-L234 HydrophobicContact CD2-CD2 4.46Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CD2 3.47Å; L230-R248 PolarHBondContact O-NH1 3.48Å; L230-R248 PolarHBondContact O-NH2 3.47Å
231	K	96.1	Very high	96.1	Very high	78 Å²	78	57.9 Å²	57.9	34%	0.339	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-115.8	-178.6	-59	174.8	-169.6	156.7	0	110.5	V226 D228 V229 D233 L234 D235 R248	V226-K231 WeakPolarHBondContact O-CE 3.36Å; V226-K231 PolarHBondContact O-NZ 3.3Å; V226-K231 VanDerWaalsContact O-NZ 3.12Å; D228-K231 WeakPolarHBondContact O-CB 3.24Å; D228-K231 PolarHBondContact O-N 3.17Å; D228-K231 IonicContact OD1-NZ 4Å; D228-K231 PolarHBondContact OD1-NZ 3.35Å; V229-K231 VanDerWaalsContact C-N 3.31Å; K231-D233 VanDerWaalsContact C-N 3.29Å; K231-D233 PolarHBondContact O-N 2.9Å; K231-L234 PolarHBondContact O-N 2.93Å; K231-D235 PolarHBondContact O-N 3.36Å; K231-R248 PolarHBondContact O-NH2 2.9Å
232	D	95.8	Very high	95.6	Very high	128 Å²	128	65.6 Å²	65.6	68%	0.684	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-35	-174.1	-62.6	-30.4	0	0	0	112.3	L234 D235 E236	D232-L234 VanDerWaalsContact C-N 3.34Å; D232-L234 PolarHBondContact O-N 3.11Å; D232-D235 PolarHBondContact O-N 3.47Å; D232-E236 WeakPolarHBondContact O-CB 3.46Å; D232-E236 PolarHBondContact O-N 3.06Å
233	D	96.6	Very high	95.4	Very high	97 Å²	97	68 Å²	68	52%	0.519	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-41.4	177.9	-67.5	-20.9	0	0	0	112	V229 K231 Y237	V229-D233 HydrophobicContact CG2-CB 4.4Å; K231-D233 VanDerWaalsContact C-N 3.29Å; K231-D233 PolarHBondContact O-N 2.9Å; D233-Y237 WeakPolarHBondContact O-CB 3.28Å; D233-Y237 PolarHBondContact O-N 2.73Å
234	L	97.3	Very high	95.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-45.2	175.3	-177.6	63.9	0	0	0	111	F191 W196 L199 L200 V229 L230 K231 D232 E236 Y237 L238 V246	F191-L234 HydrophobicContact CE1-CD2 4.47Å; F191-L234 HydrophobicContact CE2-CD2 4.21Å; F191-L234 HydrophobicContact CZ-CD2 3.71Å; W196-L234 HydrophobicContact CE3-CD1 4.36Å; W196-L234 HydrophobicContact CH2-CD1 4.28Å; W196-L234 HydrophobicContact CZ3-CB 3.96Å; W196-L234 HydrophobicContact CZ3-CD1 3.8Å; L199-L234 HydrophobicContact CD2-CD1 4.21Å; L199-L234 HydrophobicContact CD2-CD2 3.94Å; L200-L234 HydrophobicContact CD2-CD1 4.12Å; V229-L234 PolarHBondContact O-N 3.13Å; L230-L234 HydrophobicContact CD2-CD2 4.46Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CD2 3.47Å; K231-L234 PolarHBondContact O-N 2.93Å; D232-L234 VanDerWaalsContact C-N 3.34Å; D232-L234 PolarHBondContact O-N 3.11Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.46Å; L234-Y237 PolarHBondContact O-N 2.89Å; L234-L238 HydrophobicContact CD1-CD1 3.77Å; L234-L238 HydrophobicContact CD1-CG 4.03Å; L234-L238 HydrophobicContact CD2-CD1 4.44Å; L234-L238 HydrophobicContact CG-CD1 3.74Å; L234-L238 HydrophobicContact CG-CG 4.35Å; L234-L238 WeakPolarHBondContact O-CB 3.5Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.45Å; L234-L238 PolarHBondContact O-N 2.81Å; L234-V246 HydrophobicContact CD2-CG2 4.48Å
235	D	95	Very high	95.3	Very high	56 Å²	56	71.7 Å²	71.7	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-43.7	179.1	-72.3	-5.6	0	0	0	110.8	K231 D232 L238 K239 V246 R248	K231-D235 PolarHBondContact O-N 3.36Å; D232-D235 PolarHBondContact O-N 3.47Å; D235-L238 PolarHBondContact O-N 3.24Å; D235-K239 WeakPolarHBondContact O-CG 3.35Å; D235-K239 PolarHBondContact O-N 2.82Å; D235-V246 WeakPolarHBondContact OD1-CB 3.33Å; D235-V246 WeakPolarHBondContact OD1-CG2 3.39Å; D235-R248 VanDerWaalsContact CG-NH2 3.35Å; D235-R248 IonicContact OD1-CZ 2.69Å; D235-R248 IonicContact OD1-NE 3.65Å; D235-R248 IonicContact OD1-NH2 3.4Å; D235-R248 PolarHBondContact OD1-NH2 3.37Å; D235-R248 IonicContact OD2-NE 2.78Å; D235-R248 IonicContact OD2-NH2 2.68Å
236	E	95.7	Very high	95.4	Very high	106 Å²	106	72.8 Å²	72.8	50%	0.495	36%	0.363	S	S	.	.	H	α-helix	trans	-67	-40.7	177.4	-172	59.4	-150.8	0	0	112.3	D232 L234 L238 K239	D232-E236 WeakPolarHBondContact O-CB 3.46Å; D232-E236 PolarHBondContact O-N 3.06Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.46Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 2.88Å; E236-K239 WeakPolarHBondContact OE2-CD 3.42Å; E236-K239 WeakPolarHBondContact OE2-CE 3.42Å; E236-K239 IonicContact OE2-NZ 3.16Å; E236-K239 PolarHBondContact OE2-NZ 3.22Å
237	Y	95.9	Very high	95.4	Very high	55 Å²	55	69.1 Å²	69.1	22%	0.216	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-44.1	176.5	-174.8	-88.1	0	0	0	111.7	W196 L200 Y204 D233 L234 K239	W196-Y237 HydrophobicContact CH2-CD2 4.21Å; W196-Y237 AromaticContact CH2-CG 3.91Å; W196-Y237 HydrophobicContact CH2-CG 3.91Å; W196-Y237 HydrophobicContact CZ2-CD1 4.35Å; W196-Y237 AromaticContact CZ2-CD2 3.74Å; W196-Y237 HydrophobicContact CZ2-CD2 3.74Å; W196-Y237 HydrophobicContact CZ2-CE2 4.2Å; W196-Y237 AromaticContact CZ2-CG 3.81Å; W196-Y237 HydrophobicContact CZ2-CG 3.81Å; L200-Y237 HydrophobicContact CD1-CD1 3.85Å; L200-Y237 HydrophobicContact CD1-CE1 3.4Å; L200-Y237 VanDerWaalsContact CD1-CE1 3.4Å; L200-Y237 HydrophobicContact CD1-CE2 4.27Å; L200-Y237 HydrophobicContact CD1-CG 4.46Å; L200-Y237 HydrophobicContact CD2-CD1 3.85Å; L200-Y237 HydrophobicContact CD2-CE1 3.74Å; L200-Y237 HydrophobicContact CG-CE1 4.21Å; Y204-Y237 HydrophobicContact CE2-CE1 4.1Å; Y204-Y237 WeakPolarHBondContact CE2-OH 3.28Å; Y204-Y237 PolarHBondContact OH-OH 2.94Å; Y204-Y237 VanDerWaalsContact OH-OH 3.09Å; D233-Y237 WeakPolarHBondContact O-CB 3.28Å; D233-Y237 PolarHBondContact O-N 2.73Å; L234-Y237 PolarHBondContact O-N 2.89Å; Y237-K239 PolarHBondContact O-N 3.17Å
238	L	95.3	Very high	95.6	Very high	5 Å²	5	70.9 Å²	70.9	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-76.3	-18.7	-174.7	-66.3	173.8	0	0	0	114	L200 L220 L234 D235 E236 K240 L241 V244 V246	L200-L238 HydrophobicContact CD2-CD2 4.01Å; L220-L238 HydrophobicContact CD1-CD1 3.47Å; L220-L238 VanDerWaalsContact CD1-CD1 3.47Å; L220-L238 HydrophobicContact CD1-CD2 4.45Å; L234-L238 HydrophobicContact CD1-CD1 3.77Å; L234-L238 HydrophobicContact CD1-CG 4.03Å; L234-L238 HydrophobicContact CD2-CD1 4.44Å; L234-L238 HydrophobicContact CG-CD1 3.74Å; L234-L238 HydrophobicContact CG-CG 4.35Å; L234-L238 WeakPolarHBondContact O-CB 3.5Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.45Å; L234-L238 PolarHBondContact O-N 2.81Å; D235-L238 PolarHBondContact O-N 3.24Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 2.88Å; L238-K240 PolarHBondContact O-N 3.33Å; L238-L241 HydrophobicContact CD2-CD1 3.88Å; L238-L241 WeakPolarHBondContact O-CA 3.4Å; L238-L241 WeakPolarHBondContact O-CB 3.43Å; L238-L241 PolarHBondContact O-N 2.83Å; L238-V244 HydrophobicContact CD1-CG1 4.29Å; L238-V244 HydrophobicContact CD2-CG1 3.94Å; L238-V246 HydrophobicContact CD1-CG2 3.4Å
239	K	92.3	Very high	95.6	Very high	141 Å²	141	66.2 Å²	66.2	61%	0.613	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.8	172.6	-78.2	172.1	-168.6	169.9	0	113.5	D235 E236 Y237 L241	D235-K239 WeakPolarHBondContact O-CG 3.35Å; D235-K239 PolarHBondContact O-N 2.82Å; E236-K239 WeakPolarHBondContact OE2-CD 3.42Å; E236-K239 WeakPolarHBondContact OE2-CE 3.42Å; E236-K239 IonicContact OE2-NZ 3.16Å; E236-K239 PolarHBondContact OE2-NZ 3.22Å; Y237-K239 PolarHBondContact O-N 3.17Å; K239-L241 PolarHBondContact O-N 3.25Å
240	K	92.2	Very high	95.5	Very high	160 Å²	160	74.9 Å²	74.9	70%	0.696	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.9	176.5	-58.2	171.4	-171.9	170.3	0	112.7	L238	L238-K240 PolarHBondContact O-N 3.33Å
241	L	93.5	Very high	95.3	Very high	23 Å²	23	80.9 Å²	80.9	12%	0.12	37%	0.374	C	S	.	.	S	Bend	trans	-111.4	92.9	-176.6	-53.3	178.2	0	0	0	109.2	V203 Y204 L207 L238 K239 I243 V244	V203-L241 HydrophobicContact CG1-CD1 4.04Å; Y204-L241 HydrophobicContact CE1-CD2 4.36Å; L207-L241 HydrophobicContact CD1-CD1 4.05Å; L207-L241 HydrophobicContact CD1-CD2 4.21Å; L238-L241 HydrophobicContact CD2-CD1 3.88Å; L238-L241 WeakPolarHBondContact O-CA 3.4Å; L238-L241 WeakPolarHBondContact O-CB 3.43Å; L238-L241 PolarHBondContact O-N 2.83Å; K239-L241 PolarHBondContact O-N 3.25Å; L241-I243 PolarHBondContact O-N 3.44Å; L241-V244 HydrophobicContact CB-CB 4.02Å; L241-V244 HydrophobicContact CB-CG2 3.58Å; L241-V244 HydrophobicContact CD1-CG2 4.12Å; L241-V244 PolarHBondContact O-N 2.97Å
242	N	88.7	Confident	95.2	Very high	161 Å²	161	79.8 Å²	79.8	86%	0.861	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-26	-167.2	-66.3	-26.9	0	0	0	116.8
243	I	95.8	Very high	95.1	Very high	60 Å²	60	78.3 Å²	78.3	31%	0.308	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	7.7	-176.7	62.9	167	0	0	0	113.3	A108 L207 L215 E217 I218 L241	A108-I243 HydrophobicContact CB-CD1 4.31Å; L207-I243 HydrophobicContact CD2-CD1 3.77Å; L207-I243 HydrophobicContact CD2-CG1 4Å; L215-I243 HydrophobicContact CD2-CD1 3.57Å; L215-I243 HydrophobicContact CG-CD1 3.88Å; E217-I243 CarbonylContact C-O 3.11Å; E217-I243 WeakPolarHBondContact CA-O 3.49Å; I218-I243 PolarHBondContact N-O 3.33Å; L241-I243 PolarHBondContact O-N 3.44Å
244	V	97.6	Very high	94.9	Very high	14 Å²	14	73.8 Å²	73.8	9%	0.085	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.3	-179.4	-168.2	0	0	0	0	109.5	V203 L207 I218 L220 L238 L241	V203-V244 HydrophobicContact CG1-CG1 4.23Å; V203-V244 HydrophobicContact CG1-CG2 4.04Å; L207-V244 HydrophobicContact CD1-CG2 4.37Å; I218-V244 HydrophobicContact CB-CB 4.49Å; I218-V244 HydrophobicContact CB-CG1 4.2Å; I218-V244 HydrophobicContact CB-CG2 4.16Å; I218-V244 HydrophobicContact CD1-CG2 4.15Å; I218-V244 HydrophobicContact CG2-CG1 4.23Å; I218-V244 WeakPolarHBondContact O-CA 3.14Å; L220-V244 HydrophobicContact CD1-CG1 4.24Å; L220-V244 HydrophobicContact CG-CG1 4.21Å; L238-V244 HydrophobicContact CD1-CG1 4.29Å; L238-V244 HydrophobicContact CD2-CG1 3.94Å; L241-V244 HydrophobicContact CB-CB 4.02Å; L241-V244 HydrophobicContact CB-CG2 3.58Å; L241-V244 HydrophobicContact CD1-CG2 4.12Å; L241-V244 PolarHBondContact O-N 2.97Å
245	R	95.2	Very high	94.7	Very high	95 Å²	95	75 Å²	75	36%	0.358	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.2	176.4	62.4	177.4	173.8	155.7	2.1	112.3	E217 I218 I219 L220 V265	E217-R245 IonicContact OE1-NH2 2.72Å; E217-R245 IonicContact OE2-CZ 2.66Å; E217-R245 IonicContact OE2-NE 3.67Å; E217-R245 PolarHBondContact OE2-NE 2.93Å; E217-R245 IonicContact OE2-NH2 2.7Å; E217-R245 PolarHBondContact OE2-NH2 3.14Å; I218-R245 PolarHBondContact O-N 2.77Å; I219-R245 HydrophobicContact CG1-CG 4.36Å; L220-R245 PolarHBondContact N-O 3.41Å; R245-V265 PolarHBondContact NH2-O 3.25Å
246	V	97.9	Very high	94.7	Very high	33 Å²	33	72.4 Å²	72.4	20%	0.2	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.5	175.9	-169.9	0	0	0	0	110.2	L220 D222 L234 D235 L238 R248	L220-V246 HydrophobicContact CB-CG2 4.32Å; L220-V246 HydrophobicContact CD1-CG2 4.42Å; L220-V246 CarbonylContact O-C 3.55Å; L220-V246 WeakPolarHBondContact O-CA 3.47Å; D222-V246 HydrophobicContact CB-CG1 4.49Å; L234-V246 HydrophobicContact CD2-CG2 4.48Å; D235-V246 WeakPolarHBondContact OD1-CB 3.33Å; D235-V246 WeakPolarHBondContact OD1-CG2 3.39Å; L238-V246 HydrophobicContact CD1-CG2 3.4Å; V246-R248 HydrophobicContact CG1-CG 4.43Å
247	V	98	Very high	94.7	Very high	25 Å²	25	69.1 Å²	69.1	15%	0.152	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.4	172	-178.1	0	0	0	0	107.6	I219 L220 V221 D222 L261 V265	I219-V247 HydrophobicContact CG2-CG2 3.8Å; L220-V247 PolarHBondContact O-N 3.35Å; V221-V247 WeakPolarHBondContact CA-O 3.42Å; D222-V247 PolarHBondContact N-O 3.42Å; V247-L261 HydrophobicContact CG1-CD1 4.13Å; V247-L261 HydrophobicContact CG1-CD2 3.69Å; V247-L261 HydrophobicContact CG1-CG 3.71Å; V247-V265 HydrophobicContact CG2-CG2 4.06Å
248	R	97.8	Very high	94.8	Very high	75 Å²	75	66.5 Å²	66.5	28%	0.283	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118	-173.1	-57.3	-68.3	-174.7	167.3	-7.4	110.9	D222 L230 K231 D235 V246	D222-R248 WeakPolarHBondContact OD2-CD 3.42Å; D222-R248 IonicContact OD2-CZ 2.8Å; D222-R248 IonicContact OD2-NE 3.61Å; D222-R248 IonicContact OD2-NH1 2.7Å; D222-R248 PolarHBondContact OD2-NH1 2.96Å; L230-R248 PolarHBondContact O-NH1 3.48Å; L230-R248 PolarHBondContact O-NH2 3.47Å; K231-R248 PolarHBondContact O-NH2 2.9Å; D235-R248 VanDerWaalsContact CG-NH2 3.35Å; D235-R248 IonicContact OD1-CZ 2.69Å; D235-R248 IonicContact OD1-NE 3.65Å; D235-R248 IonicContact OD1-NH2 3.4Å; D235-R248 PolarHBondContact OD1-NH2 3.37Å; D235-R248 IonicContact OD2-NE 2.78Å; D235-R248 IonicContact OD2-NH2 2.68Å; V246-R248 HydrophobicContact CG1-CG 4.43Å
249	Q	96.1	Very high	95	Very high	17 Å²	17	66.4 Å²	66.4	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.3	165.5	-166.7	166.2	-112.3	0	0	108.8	D222 D223 A224 E251 L261	D222-Q249 WeakPolarHBondContact O-CA 3.5Å; D222-Q249 VanDerWaalsContact O-CB 3.28Å; D222-Q249 WeakPolarHBondContact O-CB 3.41Å; D222-Q249 PolarHBondContact O-N 3.18Å; D223-Q249 PolarHBondContact OD1-NE2 3.05Å; A224-Q249 WeakPolarHBondContact CA-O 3.26Å; A224-Q249 WeakPolarHBondContact CB-O 3.47Å; A224-Q249 PolarHBondContact N-O 3Å; Q249-E251 VanDerWaalsContact C-N 3.28Å; Q249-E251 WeakPolarHBondContact CG-O 3.43Å; Q249-E251 PolarHBondContact O-N 3Å; Q249-L261 HydrophobicContact CB-CD2 4.09Å; Q249-L261 HydrophobicContact CG-CD2 4.48Å
250	R	94.2	Very high	95.2	Very high	244 Å²	244	61.2 Å²	61.2	92%	0.921	28%	0.278	S	S	*	.	S	Bend	trans	-68.7	-25	-171.7	-64.5	-175.6	179.8	-176.5	-0.9	114.4
251	E	94.6	Very high	95.5	Very high	126 Å²	126	56 Å²	56	59%	0.589	26%	0.258	S	S	*	.	S	Bend	trans	-127.3	143.6	-178	-66.8	175.1	167.6	0	0	108.9	Q249 K253	Q249-E251 VanDerWaalsContact C-N 3.28Å; Q249-E251 WeakPolarHBondContact CG-O 3.43Å; Q249-E251 PolarHBondContact O-N 3Å; E251-K253 HydrophobicContact CB-CG 4.46Å; E251-K253 PolarHBondContact O-N 2.92Å; E251-K253 VanDerWaalsContact OE2-CE 3.24Å; E251-K253 WeakPolarHBondContact OE2-CE 3.44Å; E251-K253 IonicContact OE2-NZ 2.71Å
252	R	93.7	Very high	95.8	Very high	54 Å²	54	54.9 Å²	54.9	20%	0.204	25%	0.252	C	S	.	.			trans	-69.1	106.1	178.8	-170.3	171.1	-175	-92.5	-3.2	110.7	H192 D223 A224 T422	H192-R252 PolarHBondContact CE1-NE 2.69Å; H192-R252 PolarHBondContact NE2-NE 3.28Å; H192-R252 VanDerWaalsContact NE2-NE 3.14Å; D223-R252 WeakPolarHBondContact OD1-CA 3.24Å; A224-R252 HydrophobicContact CB-CB 4.13Å; R252-T422 PolarHBondContact NH1-O 2.84Å; R252-T422 PolarHBondContact NH2-O 2.8Å
253	K	92.9	Very high	96.2	Very high	97 Å²	97	47.2 Å²	47.2	42%	0.422	21%	0.211	S	C	.	.			trans	-118.1	-4.8	-178.4	-63.4	179.6	-179.6	178.7	0	113.4	D223 E251 T257	D223-K253 PolarHBondContact OD1-N 2.83Å; E251-K253 HydrophobicContact CB-CG 4.46Å; E251-K253 PolarHBondContact O-N 2.92Å; E251-K253 VanDerWaalsContact OE2-CE 3.24Å; E251-K253 WeakPolarHBondContact OE2-CE 3.44Å; E251-K253 IonicContact OE2-NZ 2.71Å; K253-T257 HydrophobicContact CB-CG2 3.94Å; K253-T257 HydrophobicContact CD-CG2 3.97Å; K253-T257 PolarHBondContact O-OG1 3.48Å
254	G	93.1	Very high	96.4	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	95.1	170.9	176.1	0	0	0	0	0	114.8	D223 I256 T257 A258 I384	D223-G254 PolarHBondContact OD1-N 3.29Å; D223-G254 WeakPolarHBondContact OD2-CA 3.47Å; D223-G254 PolarHBondContact OD2-N 3.25Å; G254-I256 VanDerWaalsContact C-N 3.28Å; G254-I256 PolarHBondContact O-N 3.43Å; G254-T257 PolarHBondContact O-N 3.31Å; G254-A258 WeakPolarHBondContact O-CB 3.45Å; G254-A258 PolarHBondContact O-N 2.8Å; G254-I384 CarbonylContact C-O 3.56Å; G254-I384 WeakPolarHBondContact CA-O 3.46Å
255	L	93.6	Very high	96.4	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-50.8	-46	-178.8	179.3	64.7	0	0	0	112.1	V190 A258 R259 I384	V190-L255 HydrophobicContact CB-CD1 3.82Å; V190-L255 HydrophobicContact CG1-CD1 3.95Å; V190-L255 HydrophobicContact CG2-CD1 4.15Å; L255-A258 PolarHBondContact O-N 3.1Å; L255-R259 HydrophobicContact CD1-CG 4.11Å; L255-R259 HydrophobicContact CG-CG 4.42Å; L255-R259 WeakPolarHBondContact O-CB 3.19Å; L255-R259 WeakPolarHBondContact O-CG 3.49Å; L255-R259 PolarHBondContact O-N 3.46Å; L255-I384 PolarHBondContact N-O 2.91Å
256	I	94.6	Very high	96.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-50.6	-172.7	-58.1	169.3	0	0	0	110.6	G254 A258 R259 L260 Y378 M382 E388	G254-I256 VanDerWaalsContact C-N 3.28Å; G254-I256 PolarHBondContact O-N 3.43Å; I256-A258 VanDerWaalsContact C-N 3.33Å; I256-A258 PolarHBondContact O-N 2.88Å; I256-R259 PolarHBondContact O-N 2.83Å; I256-L260 HydrophobicContact CG2-CD1 4.4Å; I256-L260 WeakPolarHBondContact O-CG 3.37Å; I256-L260 PolarHBondContact O-N 2.64Å; I256-Y378 HydrophobicContact CG2-CD2 4.37Å; I256-Y378 HydrophobicContact CG2-CG 3.96Å; I256-M382 HydrophobicContact CD1-CB 3.22Å; I256-M382 HydrophobicContact CD1-CG 4.24Å; I256-M382 HydrophobicContact CD1-SD 4.07Å; I256-E388 HydrophobicContact CD1-CB 3.67Å; I256-E388 HydrophobicContact CD1-CG 4.22Å; I256-E388 HydrophobicContact CG1-CB 3.92Å; I256-E388 HydrophobicContact CG1-CG 3.98Å
257	T	96.3	Very high	96.6	Very high	38 Å²	38	47.3 Å²	47.3	23%	0.233	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-40.2	179.2	-47.1	0	0	0	0	111	K253 G254 L260 L261	K253-T257 HydrophobicContact CB-CG2 3.94Å; K253-T257 HydrophobicContact CD-CG2 3.97Å; K253-T257 PolarHBondContact O-OG1 3.48Å; G254-T257 PolarHBondContact O-N 3.31Å; T257-L260 PolarHBondContact O-N 3.12Å; T257-L261 WeakPolarHBondContact O-CB 3.37Å; T257-L261 PolarHBondContact O-N 3.2Å
258	A	97.8	Very high	96.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-41.5	177.2	0	0	0	0	0	112.4	V190 V221 D223 G254 L255 I256 L260 L261 G262	V190-A258 HydrophobicContact CB-CB 4.3Å; V190-A258 HydrophobicContact CG1-CB 3.47Å; V190-A258 VanDerWaalsContact CG1-CB 3.47Å; V190-A258 HydrophobicContact CG2-CB 3.79Å; V221-A258 HydrophobicContact CB-CB 4.44Å; V221-A258 HydrophobicContact CG1-CB 3.82Å; D223-A258 HydrophobicContact CB-CB 4.21Å; G254-A258 WeakPolarHBondContact O-CB 3.45Å; G254-A258 PolarHBondContact O-N 2.8Å; L255-A258 PolarHBondContact O-N 3.1Å; I256-A258 VanDerWaalsContact C-N 3.33Å; I256-A258 PolarHBondContact O-N 2.88Å; A258-L260 PolarHBondContact O-N 3.27Å; A258-L261 WeakPolarHBondContact O-CB 3.45Å; A258-L261 PolarHBondContact O-N 2.97Å; A258-G262 PolarHBondContact O-N 3.18Å
259	R	98.3	Very high	96.6	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.011	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-41.4	173.5	-76.8	-172.9	177.1	176.9	-2.5	112.3	V190 L255 I256 L261 G262 A263 F273 D275 G362 G363 Y378	V190-R259 HydrophobicContact CG2-CB 4.44Å; V190-R259 HydrophobicContact CG2-CG 3.61Å; L255-R259 HydrophobicContact CD1-CG 4.11Å; L255-R259 HydrophobicContact CG-CG 4.42Å; L255-R259 WeakPolarHBondContact O-CB 3.19Å; L255-R259 WeakPolarHBondContact O-CG 3.49Å; L255-R259 PolarHBondContact O-N 3.46Å; I256-R259 PolarHBondContact O-N 2.83Å; R259-L261 VanDerWaalsContact C-N 3.32Å; R259-L261 PolarHBondContact O-N 3.17Å; R259-G262 PolarHBondContact O-N 3.14Å; R259-A263 WeakPolarHBondContact O-CB 3.47Å; R259-A263 PolarHBondContact O-N 3.28Å; R259-F273 HydrophobicContact CB-CD1 4.22Å; R259-F273 HydrophobicContact CB-CE1 3.78Å; R259-F273 HydrophobicContact CG-CD1 3.79Å; R259-F273 HydrophobicContact CG-CE1 3.9Å; R259-D275 IonicContact NH2-OD1 3.19Å; R259-G362 VanDerWaalsContact CZ-O 3.28Å; R259-G362 PolarHBondContact NH1-O 2.92Å; R259-G362 PolarHBondContact NH2-O 3.02Å; R259-G363 VanDerWaalsContact NH2-CA 3.32Å; R259-G363 PolarHBondContact NH2-O 3.17Å; R259-Y378 HydrophobicContact CB-CE2 4.31Å; R259-Y378 PolarHBondContact NH1-OH 3.33Å
260	L	98.1	Very high	96.8	Very high	31 Å²	31	46.4 Å²	46.4	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-39.9	175	-71.5	174.3	0	0	0	111.7	I256 T257 A258 A263 S264 F372 Y378 E380	I256-L260 HydrophobicContact CG2-CD1 4.4Å; I256-L260 WeakPolarHBondContact O-CG 3.37Å; I256-L260 PolarHBondContact O-N 2.64Å; T257-L260 PolarHBondContact O-N 3.12Å; A258-L260 PolarHBondContact O-N 3.27Å; L260-A263 PolarHBondContact O-N 2.86Å; L260-S264 WeakPolarHBondContact O-CB 3.46Å; L260-S264 PolarHBondContact O-N 3.09Å; L260-F372 HydrophobicContact CD2-CE1 4.22Å; L260-F372 HydrophobicContact CD2-CZ 4.05Å; L260-Y378 HydrophobicContact CD2-CD2 4.34Å; L260-E380 HydrophobicContact CD1-CB 4.27Å
261	L	98.4	Very high	97	Very high	50 Å²	50	34.8 Å²	34.8	26%	0.262	19%	0.186	S	C	.	.	H	α-helix	trans	-62	-48.3	174.5	178.8	59.1	0	0	0	111.2	V221 V247 Q249 T257 A258 R259 A263 S264 V265	V221-L261 HydrophobicContact CG1-CB 4.48Å; V221-L261 HydrophobicContact CG1-CD2 4.04Å; V221-L261 HydrophobicContact CG1-CG 4.43Å; V247-L261 HydrophobicContact CG1-CD1 4.13Å; V247-L261 HydrophobicContact CG1-CD2 3.69Å; V247-L261 HydrophobicContact CG1-CG 3.71Å; Q249-L261 HydrophobicContact CB-CD2 4.09Å; Q249-L261 HydrophobicContact CG-CD2 4.48Å; T257-L261 WeakPolarHBondContact O-CB 3.37Å; T257-L261 PolarHBondContact O-N 3.2Å; A258-L261 WeakPolarHBondContact O-CB 3.45Å; A258-L261 PolarHBondContact O-N 2.97Å; R259-L261 VanDerWaalsContact C-N 3.32Å; R259-L261 PolarHBondContact O-N 3.17Å; L261-A263 PolarHBondContact O-N 3.34Å; L261-S264 PolarHBondContact O-N 3.47Å; L261-S264 PolarHBondContact O-OG 3.45Å; L261-V265 PolarHBondContact O-N 3.3Å
262	G	98.6	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-46.3	174.2	0	0	0	0	0	112.7	A258 R259 S264 V265 A266	A258-G262 PolarHBondContact O-N 3.18Å; R259-G262 PolarHBondContact O-N 3.14Å; G262-S264 VanDerWaalsContact C-N 3.3Å; G262-S264 PolarHBondContact O-N 2.83Å; G262-V265 WeakPolarHBondContact O-CG2 3.35Å; G262-V265 PolarHBondContact O-N 3.34Å; G262-A266 PolarHBondContact O-N 2.81Å; G262-A266 VanDerWaalsContact O-N 3.08Å
263	A	98.5	Very high	97.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-35.8	178.3	0	0	0	0	0	112.6	I188 R259 L260 L261 V265 A266 L271 F273 F372 Y373	I188-A263 HydrophobicContact CD1-CB 4.25Å; R259-A263 WeakPolarHBondContact O-CB 3.47Å; R259-A263 PolarHBondContact O-N 3.28Å; L260-A263 PolarHBondContact O-N 2.86Å; L261-A263 PolarHBondContact O-N 3.34Å; A263-V265 VanDerWaalsContact C-N 3.29Å; A263-V265 PolarHBondContact O-N 2.96Å; A263-A266 PolarHBondContact O-N 3.32Å; A263-L271 HydrophobicContact CB-CD1 3.73Å; A263-F273 HydrophobicContact CB-CZ 4.45Å; A263-F372 HydrophobicContact CB-CD1 4.45Å; A263-F372 HydrophobicContact CB-CE1 3.83Å; A263-Y373 PolarHBondContact O-OH 3.39Å; A263-Y373 VanDerWaalsContact O-OH 3.13Å
264	S	98.3	Very high	97.7	Very high	70 Å²	70	21.7 Å²	21.7	49%	0.49	13%	0.128	S	C	.	.	H	α-helix	trans	-65.5	-30.5	-179.3	75.9	0	0	0	0	113.4	L260 L261 G262 Y373	L260-S264 WeakPolarHBondContact O-CB 3.46Å; L260-S264 PolarHBondContact O-N 3.09Å; L261-S264 PolarHBondContact O-N 3.47Å; L261-S264 PolarHBondContact O-OG 3.45Å; G262-S264 VanDerWaalsContact C-N 3.3Å; G262-S264 PolarHBondContact O-N 2.83Å; S264-Y373 WeakPolarHBondContact CA-OH 3.14Å; S264-Y373 PolarHBondContact N-OH 3.18Å
265	V	98.5	Very high	98	Very high	46 Å²	46	23.1 Å²	23.1	28%	0.279	14%	0.135	S	C	.	.	H	α-helix	trans	-98.3	-14.2	179.8	-57.3	0	0	0	0	113.2	I219 R245 V247 L261 G262 A263	I219-V265 HydrophobicContact CD1-CG2 4.11Å; I219-V265 HydrophobicContact CG2-CG2 4.15Å; R245-V265 PolarHBondContact NH2-O 3.25Å; V247-V265 HydrophobicContact CG2-CG2 4.06Å; L261-V265 PolarHBondContact O-N 3.3Å; G262-V265 WeakPolarHBondContact O-CG2 3.35Å; G262-V265 PolarHBondContact O-N 3.34Å; A263-V265 VanDerWaalsContact C-N 3.29Å; A263-V265 PolarHBondContact O-N 2.96Å
266	A	98.6	Very high	98.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	13%	0.129	C	C	.	.			trans	-60.2	143.5	178.4	0	0	0	0	0	112.2	I188 I219 G262 A263 L271 K369	I188-A266 HydrophobicContact CD1-CB 4.34Å; I219-A266 HydrophobicContact CD1-CB 3.77Å; G262-A266 PolarHBondContact O-N 2.81Å; G262-A266 VanDerWaalsContact O-N 3.08Å; A263-A266 PolarHBondContact O-N 3.32Å; A266-L271 HydrophobicContact CB-CD2 3.5Å; A266-K369 PolarHBondContact O-NZ 2.94Å
267	T	98.6	Very high	98.4	Very high	87 Å²	87	22.9 Å²	22.9	53%	0.534	13%	0.134	S	C	.	.			trans	-122.6	-5.6	-176.9	61.6	0	0	0	0	114.2	S186 E217	S186-T267 PolarHBondContact OG-N 3.48Å; E217-T267 WeakPolarHBondContact OE1-CB 3.3Å; E217-T267 PolarHBondContact OE1-N 2.89Å; E217-T267 PolarHBondContact OE1-OG1 3.37Å
268	G	98.3	Very high	98.5	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.031	12%	0.123	C	C	.	.	S	Bend	trans	-69.5	159	173	0	0	0	0	0	112.7	S186 T270	S186-G268 PolarHBondContact OG-N 2.82Å; G268-T270 PolarHBondContact O-N 3.5Å
269	D	98.6	Very high	98.6	Very high	93 Å²	93	21.5 Å²	21.5	50%	0.497	13%	0.125	S	C	.	.	S	Bend	trans	-66.9	-30.3	177.1	-54.2	-57.7	0	0	0	111.6	P183 T184 K369	P183-D269 HydrophobicContact CB-CB 3.77Å; T184-D269 PolarHBondContact N-OD2 3.27Å; T184-D269 PolarHBondContact O-N 3.02Å; T184-D269 VanDerWaalsContact O-N 3.17Å; T184-D269 PolarHBondContact OG1-N 3.46Å; T184-D269 PolarHBondContact OG1-OD2 3.44Å; D269-K369 WeakPolarHBondContact O-CB 3.46Å; D269-K369 PolarHBondContact O-N 3.43Å
270	T	98.9	Very high	98.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.5	176.9	57.7	0	0	0	0	111.3	P183 T184 T185 S186 G268 L289 I292 I367	P183-T270 HydrophobicContact CB-CG2 3.82Å; P183-T270 HydrophobicContact CG-CG2 3.68Å; T184-T270 PolarHBondContact O-N 2.81Å; T184-T270 PolarHBondContact O-OG1 3.08Å; T185-T270 WeakPolarHBondContact CA-O 3.27Å; T185-T270 WeakPolarHBondContact CA-OG1 3.39Å; T185-T270 WeakPolarHBondContact CB-OG1 3.36Å; T185-T270 PolarHBondContact OG1-O 2.98Å; T185-T270 PolarHBondContact OG1-OG1 3.37Å; S186-T270 PolarHBondContact N-O 2.85Å; G268-T270 PolarHBondContact O-N 3.5Å; T270-L289 HydrophobicContact CG2-CD2 4.22Å; T270-L289 VanDerWaalsContact OG1-CD2 3.29Å; T270-L289 WeakPolarHBondContact OG1-CD2 3.37Å; T270-I292 HydrophobicContact CG2-CB 4.49Å; T270-I292 HydrophobicContact CG2-CD1 4.03Å; T270-I292 HydrophobicContact CG2-CG2 3.86Å; T270-I367 CarbonylContact C-O 3.56Å; T270-I367 VanDerWaalsContact CA-O 3.31Å; T270-I367 WeakPolarHBondContact CA-O 3.45Å; T270-I367 WeakPolarHBondContact CB-O 3.29Å
271	L	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.8	172.3	-53.9	179	0	0	0	107.6	I188 A263 A266 F273 S366 I367 K369 F372	I188-L271 HydrophobicContact CD1-CB 4.4Å; I188-L271 HydrophobicContact CD1-CD2 4.03Å; A263-L271 HydrophobicContact CB-CD1 3.73Å; A266-L271 HydrophobicContact CB-CD2 3.5Å; L271-F273 HydrophobicContact CB-CD2 4.46Å; L271-F273 HydrophobicContact CB-CE2 3.75Å; L271-F273 HydrophobicContact CB-CZ 4.1Å; L271-F273 HydrophobicContact CD1-CE2 4.23Å; L271-F273 HydrophobicContact CD1-CZ 4.03Å; L271-S366 CarbonylContact O-C 3.5Å; L271-S366 VanDerWaalsContact O-CA 3.24Å; L271-S366 WeakPolarHBondContact O-CA 3.22Å; L271-I367 HydrophobicContact CB-CG2 4.13Å; L271-I367 PolarHBondContact N-O 2.73Å; L271-I367 PolarHBondContact O-N 3.48Å; L271-K369 HydrophobicContact CD1-CB 4.47Å; L271-K369 HydrophobicContact CD1-CG 4.28Å; L271-K369 HydrophobicContact CD2-CB 4.16Å; L271-K369 HydrophobicContact CD2-CD 4.25Å; L271-K369 HydrophobicContact CD2-CG 4.04Å; L271-K369 HydrophobicContact CG-CB 3.98Å; L271-K369 HydrophobicContact CG-CG 4.15Å; L271-F372 HydrophobicContact CD1-CB 4.18Å; L271-F372 HydrophobicContact CD1-CD1 3.67Å; L271-F372 HydrophobicContact CD1-CE1 4.16Å; L271-F372 HydrophobicContact CD1-CG 3.92Å
272	T	98.9	Very high	98.6	Very high	1 Å²	1	20 Å²	20	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	108.5	173.7	-60.9	0	0	0	0	109	T185 S186 V187 I188 W284 F365 S366	T185-T272 WeakPolarHBondContact OG1-CB 3.26Å; T185-T272 PolarHBondContact OG1-N 3.47Å; T185-T272 PolarHBondContact OG1-OG1 2.86Å; S186-T272 PolarHBondContact O-N 2.84Å; V187-T272 CarbonylContact C-O 3.55Å; V187-T272 VanDerWaalsContact CA-O 3.26Å; V187-T272 WeakPolarHBondContact CA-O 3.31Å; V187-T272 HydrophobicContact CG2-CG2 4.5Å; I188-T272 PolarHBondContact N-O 2.85Å; T272-W284 HydrophobicContact CG2-CH2 3.64Å; T272-W284 HydrophobicContact CG2-CZ3 3.84Å; T272-F365 CarbonylContact C-O 3.56Å; T272-F365 WeakPolarHBondContact CA-O 3.47Å; T272-S366 WeakPolarHBondContact CB-OG 3.45Å; T272-S366 WeakPolarHBondContact CG2-OG 3.5Å; T272-S366 PolarHBondContact OG1-OG 2.85Å
273	F	98.9	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.3	178.1	-62	-84.2	0	0	0	109.8	I188 R259 A263 L271 L364 F365 I367 F372	I188-F273 HydrophobicContact CB-CD1 3.82Å; I188-F273 HydrophobicContact CB-CE1 3.97Å; I188-F273 HydrophobicContact CD1-CD1 4.27Å; I188-F273 HydrophobicContact CD1-CE1 3.61Å; I188-F273 HydrophobicContact CD1-CZ 3.95Å; I188-F273 HydrophobicContact CG1-CE1 4.4Å; I188-F273 HydrophobicContact CG2-CD1 3.97Å; I188-F273 HydrophobicContact CG2-CE1 3.98Å; I188-F273 WeakPolarHBondContact O-CA 3.47Å; R259-F273 HydrophobicContact CB-CD1 4.22Å; R259-F273 HydrophobicContact CB-CE1 3.78Å; R259-F273 HydrophobicContact CG-CD1 3.79Å; R259-F273 HydrophobicContact CG-CE1 3.9Å; A263-F273 HydrophobicContact CB-CZ 4.45Å; L271-F273 HydrophobicContact CB-CD2 4.46Å; L271-F273 HydrophobicContact CB-CE2 3.75Å; L271-F273 HydrophobicContact CB-CZ 4.1Å; L271-F273 HydrophobicContact CD1-CE2 4.23Å; L271-F273 HydrophobicContact CD1-CZ 4.03Å; F273-L364 VanDerWaalsContact O-CA 3.31Å; F273-L364 WeakPolarHBondContact O-CA 3.37Å; F273-F365 HydrophobicContact CB-CD1 4.07Å; F273-F365 HydrophobicContact CB-CE1 3.87Å; F273-F365 HydrophobicContact CB-CZ 4.45Å; F273-F365 HydrophobicContact CD2-CD1 4.15Å; F273-F365 HydrophobicContact CD2-CD2 4.17Å; F273-F365 AromaticContact CD2-CE1 3.53Å; F273-F365 HydrophobicContact CD2-CE1 3.53Å; F273-F365 AromaticContact CD2-CE2 3.56Å; F273-F365 HydrophobicContact CD2-CE2 3.56Å; F273-F365 HydrophobicContact CD2-CG 4.45Å; F273-F365 AromaticContact CD2-CZ 3.2Å; F273-F365 HydrophobicContact CD2-CZ 3.2Å; F273-F365 HydrophobicContact CE2-CE1 4.33Å; F273-F365 AromaticContact CE2-CE2 3.85Å; F273-F365 HydrophobicContact CE2-CE2 3.85Å; F273-F365 AromaticContact CE2-CZ 3.59Å; F273-F365 HydrophobicContact CE2-CZ 3.59Å; F273-F365 HydrophobicContact CG-CD1 4.49Å; F273-F365 AromaticContact CG-CE1 3.9Å; F273-F365 HydrophobicContact CG-CE1 3.9Å; F273-F365 HydrophobicContact CG-CZ 4Å; F273-F365 PolarHBondContact N-O 3.16Å; F273-F365 PolarHBondContact O-N 2.8Å; F273-F365 VanDerWaalsContact O-N 3.17Å; F273-I367 HydrophobicContact CE2-CG2 4.3Å; F273-F372 HydrophobicContact CE2-CE2 4.5Å; F273-F372 HydrophobicContact CZ-CE2 4.48Å; F273-F372 HydrophobicContact CZ-CZ 4.41Å
274	L	98.9	Very high	98.6	Very high	2 Å²	2	21 Å²	21	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.2	170.9	-63.3	176.6	0	0	0	109.5	V187 I188 I189 V206 W284 L364 V411	V187-L274 HydrophobicContact CG1-CD1 3.98Å; V187-L274 HydrophobicContact CG1-CG 4.38Å; I188-L274 PolarHBondContact O-N 3.25Å; I188-L274 VanDerWaalsContact O-N 3.08Å; I189-L274 WeakPolarHBondContact CA-O 3.16Å; I189-L274 HydrophobicContact CG1-CB 4.09Å; V206-L274 HydrophobicContact CG2-CD1 3.57Å; L274-W284 HydrophobicContact CD1-CH2 3.82Å; L274-W284 HydrophobicContact CD1-CZ2 4.38Å; L274-W284 HydrophobicContact CD1-CZ3 4.46Å; L274-W284 HydrophobicContact CD2-CH2 4.21Å; L274-W284 HydrophobicContact CD2-CZ3 4.05Å; L274-W284 HydrophobicContact CG-CH2 4.33Å; L274-L364 HydrophobicContact CD2-CB 4.21Å; L274-L364 HydrophobicContact CD2-CD2 3.86Å; L274-L364 HydrophobicContact CD2-CG 3.8Å; L274-V411 HydrophobicContact CD2-CG1 4.39Å
275	D	98.3	Very high	98.6	Very high	31 Å²	31	17.6 Å²	17.6	17%	0.166	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	162.7	168	-69.9	-8.6	0	0	0	110.3	T202 R259 H277 H413	T202-D275 WeakPolarHBondContact CG2-O 3.27Å; R259-D275 IonicContact NH2-OD1 3.19Å; D275-H277 PolarHBondContact O-N 3.5Å; D275-H413 IonicContact OD2-CD2 2.74Å; D275-H413 IonicContact OD2-NE2 2.87Å; D275-H413 PolarHBondContact OD2-NE2 2.74Å
276	A	98.4	Very high	98.6	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.008	9%	0.093	C	C	.	.	S	Bend	trans	-79.4	10.1	-173.8	0	0	0	0	0	115.3	I189 F191 E194 T198 L199 T202	I189-A276 HydrophobicContact CG2-CB 3.77Å; F191-A276 HydrophobicContact CB-CB 3.74Å; E194-A276 HydrophobicContact CB-CB 4.22Å; E194-A276 HydrophobicContact CG-CB 3.77Å; T198-A276 CarbonylContact C-O 3.55Å; T198-A276 VanDerWaalsContact C-O 3.27Å; L199-A276 VanDerWaalsContact CA-O 3.29Å; L199-A276 WeakPolarHBondContact CA-O 3.28Å; L199-A276 HydrophobicContact CD1-CB 3.88Å; L199-A276 PolarHBondContact N-O 3.34Å; T202-A276 PolarHBondContact OG1-O 3.18Å; T202-A276 VanDerWaalsContact OG1-O 3.05Å
277	H	98.4	Very high	98.6	Very high	22 Å²	22	16.5 Å²	16.5	10%	0.102	9%	0.094	C	C	.	.	S	Bend	trans	-140.1	54.5	-177.1	41.1	-87	0	0	0	109.4	E194 T202 D275 H413 V414 R416	E194-H277 IonicContact OE2-CE1 3.47Å; E194-H277 IonicContact OE2-CG 3.32Å; E194-H277 IonicContact OE2-ND1 3.64Å; E194-H277 PolarHBondContact OE2-ND1 2.8Å; T202-H277 PolarHBondContact OG1-N 2.98Å; D275-H277 PolarHBondContact O-N 3.5Å; H277-H413 AromaticContact CD2-CD2 3.89Å; H277-H413 AromaticContact CD2-CE1 3.8Å; H277-H413 AromaticContact CD2-NE2 3.47Å; H277-H413 PolarHBondContact CD2-NE2 3.03Å; H277-H413 AromaticContact NE2-CE1 3.59Å; H277-H413 AromaticContact NE2-NE2 3.19Å; H277-H413 PolarHBondContact NE2-NE2 3.05Å; H277-H413 VanDerWaalsContact NE2-NE2 3.19Å; H277-V414 HydrophobicContact CB-CB 4.21Å; H277-V414 HydrophobicContact CB-CG2 4.2Å; H277-V414 PolarHBondContact O-N 2.79Å; H277-V414 VanDerWaalsContact O-N 3.16Å; H277-R416 PolarHBondContact CE1-NH2 2.97Å; H277-R416 PolarHBondContact ND1-NH2 3.27Å
278	C	98.8	Very high	98.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154	-177.7	-70.8	0	0	0	0	111.9	T202 V411 G412	T202-C278 VanDerWaalsContact CA-O 3.29Å; T202-C278 WeakPolarHBondContact CA-O 3.32Å; T202-C278 HydrophobicContact CG2-CB 4.05Å; T202-C278 PolarHBondContact OG1-N 2.63Å; T202-C278 PolarHBondContact OG1-O 2.71Å; T202-C278 VanDerWaalsContact OG1-O 3.14Å; C278-V411 HydrophobicContact CB-CG1 3.99Å; C278-G412 CarbonylContact C-O 3.53Å; C278-G412 WeakPolarHBondContact CA-O 3.37Å; C278-G412 WeakPolarHBondContact CB-O 3.18Å
279	E	98.9	Very high	98.7	Very high	7 Å²	7	12.3 Å²	12.3	3%	0.033	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.8	169.1	-63.3	-176.5	-123.8	0	0	109.8	R160 L162 R201 I307 F314 G412	R160-E279 IonicContact CZ-OE1 3.15Å; R160-E279 VanDerWaalsContact CZ-OE1 3.29Å; R160-E279 IonicContact CZ-OE2 3.84Å; R160-E279 IonicContact NE-OE1 2.87Å; R160-E279 PolarHBondContact NE-OE1 3.04Å; R160-E279 IonicContact NE-OE2 3.26Å; R160-E279 PolarHBondContact NE-OE2 3.45Å; R160-E279 IonicContact NH2-OE1 3.26Å; R160-E279 PolarHBondContact NH2-OE1 3.48Å; R160-E279 IonicContact NH2-OE2 3.55Å; R160-E279 PolarHBondContact NH2-OE2 3.46Å; L162-E279 HydrophobicContact CD1-CB 4.42Å; R201-E279 VanDerWaalsContact CD-OE1 3.3Å; R201-E279 WeakPolarHBondContact CD-OE1 3.33Å; R201-E279 HydrophobicContact CG-CG 4.11Å; E279-I307 HydrophobicContact CB-CD1 3.87Å; E279-I307 HydrophobicContact CG-CD1 3.81Å; E279-F314 HydrophobicContact CB-CD2 4.35Å; E279-F314 HydrophobicContact CB-CE2 4.17Å; E279-F314 WeakPolarHBondContact O-CE2 3.48Å; E279-G412 PolarHBondContact N-O 3.16Å; E279-G412 PolarHBondContact O-N 2.92Å
280	C	98.9	Very high	98.7	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.007	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.3	-178.6	-60.3	0	0	0	0	110.6	S205 T209 W284	S205-C280 PolarHBondContact OG-N 3.32Å; S205-C280 PolarHBondContact OG-O 3.08Å; T209-C280 HydrophobicContact CG2-CB 4.4Å; T209-C280 VanDerWaalsContact OG1-CB 3.24Å; T209-C280 WeakPolarHBondContact OG1-CB 3.38Å; C280-W284 HydrophobicContact CB-CD2 4.03Å; C280-W284 HydrophobicContact CB-CG 3.86Å; C280-W284 VanDerWaalsContact SG-CE2 3.54Å
281	F	98.6	Very high	98.7	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-81.9	173.2	173.7	-152.3	-112.7	0	0	0	111.2	L162 D165 R167 G283 F314 P317 V410	L162-F281 HydrophobicContact CB-CD2 3.93Å; L162-F281 HydrophobicContact CB-CE2 3.74Å; L162-F281 HydrophobicContact CD1-CD2 3.67Å; L162-F281 HydrophobicContact CD1-CE2 4.34Å; L162-F281 HydrophobicContact CG-CD2 4.46Å; D165-F281 WeakPolarHBondContact OD1-CE1 3.37Å; R167-F281 HydrophobicContact CG-CD1 4.02Å; R167-F281 HydrophobicContact CG-CE1 3.98Å; F281-G283 PolarHBondContact O-N 3.3Å; F281-F314 HydrophobicContact CB-CZ 4.4Å; F281-F314 AromaticContact CD2-CE1 3.71Å; F281-F314 HydrophobicContact CD2-CE1 3.71Å; F281-F314 AromaticContact CD2-CZ 3.88Å; F281-F314 HydrophobicContact CD2-CZ 3.88Å; F281-F314 HydrophobicContact CE2-CE1 4.12Å; F281-P317 HydrophobicContact CD1-CG 4.1Å; F281-P317 HydrophobicContact CE1-CG 3.72Å; F281-P317 HydrophobicContact CZ-CG 4.11Å; F281-V410 HydrophobicContact CB-CB 3.81Å; F281-V410 HydrophobicContact CB-CG1 4.15Å; F281-V410 WeakPolarHBondContact CB-O 3.42Å; F281-V410 HydrophobicContact CD1-CB 4.49Å; F281-V410 HydrophobicContact CG-CB 4.36Å; F281-V410 PolarHBondContact N-O 3.28Å
282	H	97.9	Very high	98.7	Very high	52 Å²	52	11 Å²	11	24%	0.241	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	136.8	178	-54.6	-73.3	0	0	0	110.9	G163 D165 R167 W284	G163-H282 PolarHBondContact O-NE2 2.82Å; D165-H282 HydrophobicContact CB-CB 4.47Å; R167-H282 PolarHBondContact NE-O 3.41Å; R167-H282 PolarHBondContact NH1-O 2.77Å; R167-H282 VanDerWaalsContact NH1-O 3.14Å; R167-H282 PolarHBondContact NH2-O 3.24Å; H282-W284 VanDerWaalsContact C-N 3.26Å; H282-W284 PolarHBondContact O-N 3Å
283	G	97.9	Very high	98.6	Very high	18 Å²	18	12.3 Å²	12.3	19%	0.186	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	30.2	174.9	0	0	0	0	0	114.9	R167 F281 E286 P287	R167-G283 PolarHBondContact NH1-O 3.35Å; F281-G283 PolarHBondContact O-N 3.3Å; G283-E286 VanDerWaalsContact C-OE2 3.28Å; G283-E286 WeakPolarHBondContact CA-OE2 3.43Å; G283-P287 WeakPolarHBondContact O-CD 3.47Å; G283-P287 WeakPolarHBondContact O-CG 3.2Å
284	W	98.8	Very high	98.5	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	10%	0.099	C	C	.	.			trans	-72.7	-29.6	-175.4	77.3	-74.2	0	0	0	113.3	V206 T209 T272 L274 C280 H282 L288 S409 V411	V206-W284 HydrophobicContact CG2-CZ2 4.48Å; T209-W284 PolarHBondContact OG1-NE1 3.49Å; T209-W284 VanDerWaalsContact OG1-NE1 3.08Å; T272-W284 HydrophobicContact CG2-CH2 3.64Å; T272-W284 HydrophobicContact CG2-CZ3 3.84Å; L274-W284 HydrophobicContact CD1-CH2 3.82Å; L274-W284 HydrophobicContact CD1-CZ2 4.38Å; L274-W284 HydrophobicContact CD1-CZ3 4.46Å; L274-W284 HydrophobicContact CD2-CH2 4.21Å; L274-W284 HydrophobicContact CD2-CZ3 4.05Å; L274-W284 HydrophobicContact CG-CH2 4.33Å; C280-W284 HydrophobicContact CB-CD2 4.03Å; C280-W284 HydrophobicContact CB-CG 3.86Å; C280-W284 VanDerWaalsContact SG-CE2 3.54Å; H282-W284 VanDerWaalsContact C-N 3.26Å; H282-W284 PolarHBondContact O-N 3Å; W284-L288 HydrophobicContact CE3-CD1 3.96Å; W284-L288 HydrophobicContact CZ3-CD1 4Å; W284-S409 WeakPolarHBondContact O-CB 3.23Å; W284-S409 PolarHBondContact O-OG 2.73Å; W284-V411 HydrophobicContact CB-CG2 4.36Å; W284-V411 HydrophobicContact CD2-CG2 4.04Å; W284-V411 HydrophobicContact CE3-CG2 3.49Å; W284-V411 VanDerWaalsContact CE3-CG2 3.49Å; W284-V411 HydrophobicContact CG-CG2 4.41Å; W284-V411 HydrophobicContact CZ3-CG2 4.12Å
285	L	98.9	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-88.2	-41.5	-165.7	-176.9	58.9	0	0	0	112.3	T185 L214 L288 L289	T185-L285 HydrophobicContact CG2-CD1 4.1Å; T185-L285 HydrophobicContact CG2-CD2 3.93Å; L214-L285 HydrophobicContact CB-CD2 4.3Å; L285-L288 WeakPolarHBondContact O-CB 3.43Å; L285-L288 PolarHBondContact O-N 3.5Å; L285-L288 VanDerWaalsContact O-N 3.16Å; L285-L289 HydrophobicContact CD1-CD1 3.83Å; L285-L289 HydrophobicContact CD1-CD2 4.27Å; L285-L289 HydrophobicContact CD1-CG 3.87Å; L285-L289 HydrophobicContact CD2-CD1 4.01Å; L285-L289 HydrophobicContact CG-CD1 3.62Å; L285-L289 HydrophobicContact CG-CG 4.03Å; L285-L289 WeakPolarHBondContact O-CG 3.31Å; L285-L289 PolarHBondContact O-N 2.91Å; L285-L289 VanDerWaalsContact O-N 3.1Å
286	E	98.8	Very high	98.4	Very high	19 Å²	19	20.9 Å²	20.9	9%	0.089	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-44.4	-173.8	-53.2	93.5	131	0	0	112.8	L105 F176 P211 L214 G283 L288 L289 A290	L105-E286 HydrophobicContact CD1-CG 4.44Å; L105-E286 HydrophobicContact CD2-CG 4.38Å; F176-E286 HydrophobicContact CD1-CB 4.28Å; F176-E286 HydrophobicContact CD2-CB 3.73Å; F176-E286 HydrophobicContact CD2-CG 4.32Å; F176-E286 HydrophobicContact CE1-CB 3.93Å; F176-E286 HydrophobicContact CE2-CB 3.34Å; F176-E286 HydrophobicContact CE2-CG 4.09Å; F176-E286 HydrophobicContact CG-CB 4.19Å; F176-E286 HydrophobicContact CZ-CB 3.45Å; F176-E286 VanDerWaalsContact CZ-CB 3.45Å; P211-E286 HydrophobicContact CG-CG 3.93Å; P211-E286 WeakPolarHBondContact CG-OE1 3.5Å; L214-E286 HydrophobicContact CD1-CG 4.04Å; G283-E286 VanDerWaalsContact C-OE2 3.28Å; G283-E286 WeakPolarHBondContact CA-OE2 3.43Å; E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.45Å; E286-L289 PolarHBondContact O-N 3.33Å; E286-A290 WeakPolarHBondContact O-CB 3.29Å; E286-A290 PolarHBondContact O-N 3.27Å
287	P	98.8	Very high	98.4	Very high	5 Å²	5	21 Å²	21	3%	0.032	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-37	176.6	-23.1	34.4	0	0	0	113.3	F176 G283 R291 I406 C408	F176-P287 HydrophobicContact CE1-CG 4.36Å; F176-P287 HydrophobicContact CZ-CG 4Å; G283-P287 WeakPolarHBondContact O-CD 3.47Å; G283-P287 WeakPolarHBondContact O-CG 3.2Å; P287-R291 WeakPolarHBondContact O-CB 3.39Å; P287-R291 PolarHBondContact O-N 2.87Å; P287-R291 VanDerWaalsContact O-N 3.11Å; P287-I406 HydrophobicContact CB-CG2 3.53Å; P287-C408 HydrophobicContact CB-CB 4.32Å; P287-C408 HydrophobicContact CG-CB 4.02Å
288	L	98.9	Very high	98.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-50.1	177.8	-57.7	177.7	0	0	0	110.5	W284 L285 E286 R291 I292 V300 I406 S409	W284-L288 HydrophobicContact CE3-CD1 3.96Å; W284-L288 HydrophobicContact CZ3-CD1 4Å; L285-L288 WeakPolarHBondContact O-CB 3.43Å; L285-L288 PolarHBondContact O-N 3.5Å; L285-L288 VanDerWaalsContact O-N 3.16Å; E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.45Å; L288-R291 PolarHBondContact O-N 3.16Å; L288-I292 WeakPolarHBondContact O-CG1 3.26Å; L288-I292 PolarHBondContact O-N 3.2Å; L288-I292 VanDerWaalsContact O-N 3.15Å; L288-V300 HydrophobicContact CB-CG2 3.88Å; L288-V300 HydrophobicContact CD2-CB 4.16Å; L288-V300 HydrophobicContact CD2-CG2 3.94Å; L288-V300 HydrophobicContact CG-CG2 4.5Å; L288-I406 HydrophobicContact CD2-CB 3.93Å; L288-I406 HydrophobicContact CD2-CG1 3.76Å; L288-S409 WeakPolarHBondContact CD1-OG 3.39Å; L288-S409 WeakPolarHBondContact CG-OG 3.11Å
289	L	98.9	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-70.3	-36.2	-176.8	-60.2	-174.8	0	0	0	112	P183 T185 L214 T270 L285 E286 R291 I292 A293	P183-L289 WeakPolarHBondContact CD-O 3.29Å; P183-L289 HydrophobicContact CG-CB 4.1Å; P183-L289 HydrophobicContact CG-CD2 4.43Å; P183-L289 WeakPolarHBondContact O-CD1 3.2Å; T185-L289 HydrophobicContact CG2-CD1 4.26Å; L214-L289 HydrophobicContact CB-CD1 4.01Å; L214-L289 HydrophobicContact CD1-CD1 4.1Å; L214-L289 HydrophobicContact CG-CD1 4.48Å; T270-L289 HydrophobicContact CG2-CD2 4.22Å; T270-L289 VanDerWaalsContact OG1-CD2 3.29Å; T270-L289 WeakPolarHBondContact OG1-CD2 3.37Å; L285-L289 HydrophobicContact CD1-CD1 3.83Å; L285-L289 HydrophobicContact CD1-CD2 4.27Å; L285-L289 HydrophobicContact CD1-CG 3.87Å; L285-L289 HydrophobicContact CD2-CD1 4.01Å; L285-L289 HydrophobicContact CG-CD1 3.62Å; L285-L289 HydrophobicContact CG-CG 4.03Å; L285-L289 WeakPolarHBondContact O-CG 3.31Å; L285-L289 PolarHBondContact O-N 2.91Å; L285-L289 VanDerWaalsContact O-N 3.1Å; E286-L289 PolarHBondContact O-N 3.33Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 2.7Å; L289-I292 PolarHBondContact O-N 2.73Å; L289-A293 WeakPolarHBondContact O-CB 3.18Å; L289-A293 PolarHBondContact O-N 3.32Å
290	A	98.7	Very high	98.4	Very high	14 Å²	14	19.6 Å²	19.6	12%	0.116	10%	0.102	C	C	.	.	H	α-helix	trans	-59.9	-44.2	172.9	0	0	0	0	0	111.1	F176 L182 E286 I292 A293 E294	F176-A290 HydrophobicContact CD1-CB 3.64Å; F176-A290 HydrophobicContact CE1-CB 4Å; L182-A290 VanDerWaalsContact CD2-CA 3.43Å; L182-A290 HydrophobicContact CD2-CB 3.66Å; E286-A290 WeakPolarHBondContact O-CB 3.29Å; E286-A290 PolarHBondContact O-N 3.27Å; A290-I292 PolarHBondContact O-N 3.29Å; A290-A293 WeakPolarHBondContact O-CB 3.44Å; A290-A293 PolarHBondContact O-N 3.41Å; A290-E294 WeakPolarHBondContact O-CG 3.43Å; A290-E294 PolarHBondContact O-N 2.87Å
291	R	98.7	Very high	98.4	Very high	46 Å²	46	19.7 Å²	19.7	17%	0.174	10%	0.103	C	C	.	.	H	α-helix	trans	-65	-39.4	179.6	-177	56.8	-177.6	156.2	4.1	112.6	P287 L288 L289 A293 E294 N295 A298 V300 E404 I406	P287-R291 WeakPolarHBondContact O-CB 3.39Å; P287-R291 PolarHBondContact O-N 2.87Å; P287-R291 VanDerWaalsContact O-N 3.11Å; L288-R291 PolarHBondContact O-N 3.16Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 2.7Å; R291-A293 VanDerWaalsContact C-N 3.35Å; R291-E294 IonicContact NH1-OE2 3.61Å; R291-E294 PolarHBondContact NH1-OE2 3.08Å; R291-E294 PolarHBondContact O-N 2.92Å; R291-N295 PolarHBondContact O-N 3.35Å; R291-A298 HydrophobicContact CG-CB 4.41Å; R291-V300 HydrophobicContact CB-CG1 4.02Å; R291-V300 HydrophobicContact CG-CG1 3.56Å; R291-E404 WeakPolarHBondContact CG-OE2 3.31Å; R291-E404 IonicContact CZ-OE1 3.15Å; R291-E404 IonicContact CZ-OE2 3.8Å; R291-E404 IonicContact NE-OE1 2.76Å; R291-E404 IonicContact NE-OE2 3.35Å; R291-E404 PolarHBondContact NE-OE2 3.01Å; R291-E404 IonicContact NH2-OE1 3.45Å; R291-E404 PolarHBondContact NH2-OE1 3.29Å; R291-E404 IonicContact NH2-OE2 2.97Å; R291-E404 PolarHBondContact NH2-OE2 2.92Å; R291-I406 HydrophobicContact CB-CD1 4.29Å; R291-I406 HydrophobicContact CG-CD1 4.08Å
292	I	98.8	Very high	98.4	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.036	10%	0.103	C	C	.	.	H	α-helix	trans	-67.3	-36.7	174.1	-63.6	166.4	0	0	0	111.1	T270 L288 L289 A290 E294 N295 Y296 V300	T270-I292 HydrophobicContact CG2-CB 4.49Å; T270-I292 HydrophobicContact CG2-CD1 4.03Å; T270-I292 HydrophobicContact CG2-CG2 3.86Å; L288-I292 WeakPolarHBondContact O-CG1 3.26Å; L288-I292 PolarHBondContact O-N 3.2Å; L288-I292 VanDerWaalsContact O-N 3.15Å; L289-I292 PolarHBondContact O-N 2.73Å; A290-I292 PolarHBondContact O-N 3.29Å; I292-E294 VanDerWaalsContact C-N 3.3Å; I292-E294 PolarHBondContact O-N 3.16Å; I292-N295 CarbonylContact O-C 3.56Å; I292-N295 PolarHBondContact O-N 3.31Å; I292-Y296 VanDerWaalsContact O-CA 3.24Å; I292-Y296 WeakPolarHBondContact O-CA 3.37Å; I292-Y296 PolarHBondContact O-N 2.97Å; I292-Y296 VanDerWaalsContact O-N 3.09Å; I292-V300 HydrophobicContact CD1-CG2 3.81Å; I292-V300 HydrophobicContact CG1-CG2 3.84Å
293	A	98	Very high	98.4	Very high	29 Å²	29	19.2 Å²	19.2	24%	0.24	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-39.2	176.2	0	0	0	0	0	112	P180 L289 A290 R291	P180-A293 HydrophobicContact CB-CB 4.47Å; P180-A293 HydrophobicContact CG-CB 4.04Å; P180-A293 WeakPolarHBondContact CG-O 3.25Å; L289-A293 WeakPolarHBondContact O-CB 3.18Å; L289-A293 PolarHBondContact O-N 3.32Å; A290-A293 WeakPolarHBondContact O-CB 3.44Å; A290-A293 PolarHBondContact O-N 3.41Å; R291-A293 VanDerWaalsContact C-N 3.35Å
294	E	97.1	Very high	98.4	Very high	131 Å²	131	19.3 Å²	19.3	61%	0.612	10%	0.098	S	C	*	.	H	α-helix	trans	-72.2	-40.9	175	-69	-179.7	169.6	0	0	112.8	A290 R291 I292	A290-E294 WeakPolarHBondContact O-CG 3.43Å; A290-E294 PolarHBondContact O-N 2.87Å; R291-E294 IonicContact NH1-OE2 3.61Å; R291-E294 PolarHBondContact NH1-OE2 3.08Å; R291-E294 PolarHBondContact O-N 2.92Å; I292-E294 VanDerWaalsContact C-N 3.3Å; I292-E294 PolarHBondContact O-N 3.16Å
295	N	97.7	Very high	98.2	Very high	32 Å²	32	20.5 Å²	20.5	17%	0.171	11%	0.105	C	C	.	.			trans	-139.3	95.7	-178.8	-174.8	9.6	0	0	0	110.7	R291 I292 T297 A298 Q402	R291-N295 PolarHBondContact O-N 3.35Å; I292-N295 CarbonylContact O-C 3.56Å; I292-N295 PolarHBondContact O-N 3.31Å; N295-T297 PolarHBondContact O-N 3.48Å; N295-T297 VanDerWaalsContact O-N 3.09Å; N295-T297 PolarHBondContact OD1-N 2.93Å; N295-T297 PolarHBondContact OD1-OG1 3.19Å; N295-A298 HydrophobicContact CB-CB 4.17Å; N295-A298 WeakPolarHBondContact O-CB 3.36Å; N295-A298 PolarHBondContact O-N 2.88Å; N295-Q402 PolarHBondContact ND2-OE1 3.14Å; N295-Q402 VanDerWaalsContact ND2-OE1 3.08Å
296	Y	96.6	Very high	98.2	Very high	50 Å²	50	23.3 Å²	23.3	20%	0.196	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.3	-174.4	84.1	-83	0	0	0	114.2	P83 I292 A298 Y371	P83-Y296 WeakPolarHBondContact CA-OH 3.39Å; P83-Y296 WeakPolarHBondContact CB-OH 3.34Å; P83-Y296 WeakPolarHBondContact CG-OH 3.46Å; P83-Y296 WeakPolarHBondContact O-CE1 3.33Å; P83-Y296 PolarHBondContact O-OH 3.39Å; I292-Y296 VanDerWaalsContact O-CA 3.24Å; I292-Y296 WeakPolarHBondContact O-CA 3.37Å; I292-Y296 PolarHBondContact O-N 2.97Å; I292-Y296 VanDerWaalsContact O-N 3.09Å; Y296-A298 VanDerWaalsContact C-N 3.34Å; Y296-Y371 HydrophobicContact CE2-CD2 4.2Å; Y296-Y371 WeakPolarHBondContact O-CB 3.12Å
297	T	98.2	Very high	98.1	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.025	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	2	174.1	70.8	0	0	0	0	113.1	P83 N295 Y371 G401 Q402	P83-T297 HydrophobicContact CG-CG2 4.41Å; N295-T297 PolarHBondContact O-N 3.48Å; N295-T297 VanDerWaalsContact O-N 3.09Å; N295-T297 PolarHBondContact OD1-N 2.93Å; N295-T297 PolarHBondContact OD1-OG1 3.19Å; T297-Y371 HydrophobicContact CG2-CD2 3.98Å; T297-Y371 HydrophobicContact CG2-CE2 3.75Å; T297-Y371 VanDerWaalsContact O-CE1 3.28Å; T297-Y371 WeakPolarHBondContact O-CE1 3.09Å; T297-G401 WeakPolarHBondContact O-CA 3.09Å; T297-Q402 PolarHBondContact O-N 2.78Å
298	A	98.6	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.5	173	0	0	0	0	0	109.9	R291 N295 Y296 V300	R291-A298 HydrophobicContact CG-CB 4.41Å; N295-A298 HydrophobicContact CB-CB 4.17Å; N295-A298 WeakPolarHBondContact O-CB 3.36Å; N295-A298 PolarHBondContact O-N 2.88Å; Y296-A298 VanDerWaalsContact C-N 3.34Å; A298-V300 HydrophobicContact CB-CG1 4.02Å
299	V	98.9	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.2	168.7	-176.1	0	0	0	0	106.1	F360 F365 I367 Y371 M392 V396 Q402 L403 E404	V299-F360 HydrophobicContact CG1-CE2 4.29Å; V299-F365 HydrophobicContact CG1-CD2 3.72Å; V299-F365 HydrophobicContact CG1-CE2 4.27Å; V299-F365 HydrophobicContact CG1-CG 4.47Å; V299-I367 HydrophobicContact CG1-CB 4.47Å; V299-I367 HydrophobicContact CG1-CD1 4.41Å; V299-I367 HydrophobicContact CG2-CD1 3.52Å; V299-I367 HydrophobicContact CG2-CG1 3.92Å; V299-Y371 HydrophobicContact CG2-CD1 4.41Å; V299-Y371 HydrophobicContact CG2-CE1 4.11Å; V299-M392 HydrophobicContact CG1-CE 4.3Å; V299-V396 HydrophobicContact CB-CG1 4.48Å; V299-V396 HydrophobicContact CG2-CG1 3.91Å; V299-V396 HydrophobicContact CG2-CG2 3.83Å; V299-Q402 PolarHBondContact N-O 3.3Å; V299-L403 HydrophobicContact CB-CD1 3.64Å; V299-L403 HydrophobicContact CG1-CD1 3.66Å; V299-L403 WeakPolarHBondContact O-CA 3.46Å; V299-E404 PolarHBondContact O-N 3.36Å
300	V	98.9	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.4	-165.6	-63.3	0	0	0	0	110.8	L288 R291 I292 A298 F365 S366 E404 I406	L288-V300 HydrophobicContact CB-CG2 3.88Å; L288-V300 HydrophobicContact CD2-CB 4.16Å; L288-V300 HydrophobicContact CD2-CG2 3.94Å; L288-V300 HydrophobicContact CG-CG2 4.5Å; R291-V300 HydrophobicContact CB-CG1 4.02Å; R291-V300 HydrophobicContact CG-CG1 3.56Å; I292-V300 HydrophobicContact CD1-CG2 3.81Å; I292-V300 HydrophobicContact CG1-CG2 3.84Å; A298-V300 HydrophobicContact CB-CG1 4.02Å; V300-F365 CarbonylContact O-C 3.54Å; V300-F365 VanDerWaalsContact O-CA 3.27Å; V300-F365 WeakPolarHBondContact O-CA 3.46Å; V300-F365 WeakPolarHBondContact O-CB 3.18Å; V300-S366 PolarHBondContact N-O 3.5Å; V300-S366 PolarHBondContact O-N 3.19Å; V300-E404 CarbonylContact C-O 3.38Å; V300-E404 WeakPolarHBondContact CA-O 3.44Å; V300-E404 HydrophobicContact CG1-CB 4.33Å; V300-I406 HydrophobicContact CB-CD1 4.44Å; V300-I406 HydrophobicContact CB-CG1 4Å; V300-I406 HydrophobicContact CG1-CD1 4.22Å; V300-I406 HydrophobicContact CG1-CG1 4.3Å
301	S	98.8	Very high	97.9	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	148.2	174.9	-77.5	0	0	0	0	110.7	L364 F365 E404 I405 I406	S301-L364 WeakPolarHBondContact CB-O 3.3Å; S301-L364 PolarHBondContact OG-O 2.99Å; S301-F365 WeakPolarHBondContact OG-CB 3.41Å; S301-E404 PolarHBondContact N-O 2.93Å; S301-I405 CarbonylContact O-C 3.58Å; S301-I405 WeakPolarHBondContact O-CA 3.39Å; S301-I406 PolarHBondContact O-N 3.33Å
302	P	98.7	Very high	97.8	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	160.3	162.9	31.6	-34.7	0	0	0	110.1	I304 L364 S409 V411	P302-I304 HydrophobicContact CG-CG1 4.23Å; P302-I304 PolarHBondContact O-N 3.37Å; P302-L364 HydrophobicContact CG-CB 3.85Å; P302-L364 HydrophobicContact CG-CD2 4.14Å; P302-S409 CarbonylContact C-O 3.38Å; P302-S409 VanDerWaalsContact CA-O 3.26Å; P302-S409 WeakPolarHBondContact CA-O 3.49Å; P302-S409 VanDerWaalsContact CB-O 3.31Å; P302-S409 WeakPolarHBondContact CB-O 3.47Å; P302-S409 WeakPolarHBondContact CB-OG 3.34Å; P302-V411 HydrophobicContact CB-CB 4.19Å; P302-V411 HydrophobicContact CB-CG2 3.75Å; P302-V411 HydrophobicContact CG-CB 4.07Å; P302-V411 HydrophobicContact CG-CG2 3.84Å
303	D	97.6	Very high	97.8	Very high	39 Å²	39	31 Å²	31	21%	0.209	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	114.6	156.4	-171	18.4	0	0	0	108.8	H324 I405 S409 V410 V411	D303-H324 IonicContact OD2-ND1 3.13Å; D303-I405 HydrophobicContact CB-CG2 4.24Å; D303-S409 PolarHBondContact N-O 3.3Å; D303-V410 WeakPolarHBondContact O-CA 3.14Å; D303-V411 PolarHBondContact O-N 3.36Å
304	I	97.7	Very high	97.9	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.108	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.1	-172.8	-55.6	172.8	0	0	0	107.8	P302 A361 L364 V411 H413 F415	P302-I304 HydrophobicContact CG-CG1 4.23Å; P302-I304 PolarHBondContact O-N 3.37Å; I304-A361 HydrophobicContact CD1-CB 3.96Å; I304-L364 HydrophobicContact CD1-CB 4.18Å; I304-L364 HydrophobicContact CD1-CD1 4.33Å; I304-L364 HydrophobicContact CG1-CB 4.48Å; I304-L364 HydrophobicContact CG1-CD2 4.42Å; I304-V411 WeakPolarHBondContact CA-O 3.47Å; I304-H413 HydrophobicContact CG2-CB 3.75Å; I304-F415 HydrophobicContact CG2-CE2 4.02Å; I304-F415 HydrophobicContact CG2-CZ 3.63Å
305	T	95.9	Very high	97.8	Very high	25 Å²	25	27.9 Å²	27.9	15%	0.153	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	161	176.2	-166	0	0	0	0	111.8	F314 M315 V410 V411 G412 H413	T305-F314 HydrophobicContact CG2-CD1 4.25Å; T305-F314 HydrophobicContact CG2-CE1 3.5Å; T305-F314 HydrophobicContact CG2-CE2 4.12Å; T305-F314 HydrophobicContact CG2-CZ 3.42Å; T305-F314 VanDerWaalsContact CG2-CZ 3.42Å; T305-M315 WeakPolarHBondContact CB-O 3.44Å; T305-M315 VanDerWaalsContact CG2-O 3.32Å; T305-M315 WeakPolarHBondContact CG2-O 3.35Å; T305-M315 WeakPolarHBondContact OG1-CB 3.24Å; T305-M315 PolarHBondContact OG1-O 3.42Å; T305-V410 HydrophobicContact CG2-CG1 3.82Å; T305-V411 PolarHBondContact N-O 2.76Å; T305-G412 CarbonylContact O-C 3.49Å; T305-G412 VanDerWaalsContact O-CA 3.29Å; T305-G412 WeakPolarHBondContact O-CA 3.47Å; T305-H413 PolarHBondContact O-N 3.46Å
306	T	97.1	Very high	97.7	Very high	59 Å²	59	29.7 Å²	29.7	36%	0.362	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.7	-178.2	-59.8	0	0	0	0	111.1	M315 F415	T306-M315 WeakPolarHBondContact O-CB 3.43Å; T306-M315 WeakPolarHBondContact O-CG 3.35Å; T306-M315 PolarHBondContact O-N 3.13Å; T306-F415 HydrophobicContact CG2-CD2 4.13Å
307	I	98.6	Very high	97.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.8	155	-58.4	170.1	0	0	0	106.3	E279 L309 F312 E313 F314 H413 V414	E279-I307 HydrophobicContact CB-CD1 3.87Å; E279-I307 HydrophobicContact CG-CD1 3.81Å; I307-L309 PolarHBondContact O-N 2.69Å; I307-F312 HydrophobicContact CG2-CB 4.45Å; I307-F312 HydrophobicContact CG2-CD1 4.04Å; I307-F312 HydrophobicContact CG2-CG 4.42Å; I307-E313 CarbonylContact C-O 3.54Å; I307-E313 VanDerWaalsContact CA-O 3.29Å; I307-E313 WeakPolarHBondContact CA-O 3.26Å; I307-F314 HydrophobicContact CD1-CD2 4.23Å; I307-F314 HydrophobicContact CG1-CD2 3.84Å; I307-F314 HydrophobicContact CG1-CE2 4.36Å; I307-H413 PolarHBondContact N-O 3.47Å; I307-V414 HydrophobicContact CB-CG2 3.89Å; I307-V414 HydrophobicContact CD1-CG2 4.32Å; I307-V414 HydrophobicContact CG2-CG2 3.86Å
308	D	98.3	Very high	97.2	Very high	45 Å²	45	29.6 Å²	29.6	24%	0.241	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-61.8	126.4	-176.5	177.9	-101.2	0	0	0	110.8	N310 T311 F312 E313	D308-N310 PolarHBondContact O-N 2.78Å; D308-N310 VanDerWaalsContact O-N 3.16Å; D308-N310 WeakPolarHBondContact OD1-CB 3.48Å; D308-N310 PolarHBondContact OD1-N 3.4Å; D308-T311 WeakPolarHBondContact CB-OG1 3.31Å; D308-T311 WeakPolarHBondContact OD1-CB 3.42Å; D308-T311 PolarHBondContact OD1-N 2.68Å; D308-T311 PolarHBondContact OD1-OG1 3.24Å; D308-F312 WeakPolarHBondContact O-CA 3.31Å; D308-F312 PolarHBondContact O-N 2.85Å; D308-E313 HydrophobicContact CB-CB 4.22Å; D308-E313 PolarHBondContact N-O 3.33Å
309	L	96.9	Very high	96.8	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.178	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.5	-173.1	69.5	123.7	0	0	0	113.9	F148 N149 I307 V414 F415	F148-L309 HydrophobicContact CB-CB 3.86Å; N149-L309 WeakPolarHBondContact CB-O 3.4Å; N149-L309 PolarHBondContact N-O 2.56Å; I307-L309 PolarHBondContact O-N 2.69Å; L309-V414 HydrophobicContact CB-CG1 4.07Å; L309-F415 WeakPolarHBondContact CD2-O 3.42Å
310	N	96.4	Very high	96.2	Very high	74 Å²	74	42.2 Å²	42.2	40%	0.396	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-39.5	-176	-58.8	-56.4	0	0	0	112.1	N149 D308	N149-N310 WeakPolarHBondContact CB-O 3.33Å; N149-N310 PolarHBondContact ND2-O 2.57Å; D308-N310 PolarHBondContact O-N 2.78Å; D308-N310 VanDerWaalsContact O-N 3.16Å; D308-N310 WeakPolarHBondContact OD1-CB 3.48Å; D308-N310 PolarHBondContact OD1-N 3.4Å
311	T	97.9	Very high	94.9	Very high	24 Å²	24	43.4 Å²	43.4	15%	0.147	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-12.2	-172.1	64.2	0	0	0	0	113.3	P125 F126 D308 E313	P125-T311 HydrophobicContact CB-CG2 4.38Å; F126-T311 PolarHBondContact N-O 3.45Å; D308-T311 WeakPolarHBondContact CB-OG1 3.31Å; D308-T311 WeakPolarHBondContact OD1-CB 3.42Å; D308-T311 PolarHBondContact OD1-N 2.68Å; D308-T311 PolarHBondContact OD1-OG1 3.24Å; T311-E313 PolarHBondContact O-N 3.45Å; T311-E313 PolarHBondContact OG1-N 3.48Å
312	F	98.3	Very high	93.4	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.252	C	S	.	.			trans	58.6	22.4	-173.1	-81.5	-106	0	0	0	114.1	F148 N149 A152 S153 R160 T198 I307 D308 F314 V414	F148-F312 HydrophobicContact CD2-CE2 4.02Å; F148-F312 AromaticContact CD2-CZ 3.71Å; F148-F312 HydrophobicContact CD2-CZ 3.71Å; F148-F312 AromaticContact CE2-CZ 3.95Å; F148-F312 HydrophobicContact CE2-CZ 3.95Å; N149-F312 VanDerWaalsContact O-CE2 3.25Å; N149-F312 WeakPolarHBondContact O-CE2 3.3Å; A152-F312 HydrophobicContact CB-CD2 4.07Å; S153-F312 VanDerWaalsContact CB-CZ 3.48Å; R160-F312 PolarHBondContact NH1-O 3.07Å; R160-F312 PolarHBondContact NH2-O 2.93Å; T198-F312 HydrophobicContact CG2-CE1 3.88Å; T198-F312 HydrophobicContact CG2-CZ 3.96Å; I307-F312 HydrophobicContact CG2-CB 4.45Å; I307-F312 HydrophobicContact CG2-CD1 4.04Å; I307-F312 HydrophobicContact CG2-CG 4.42Å; D308-F312 WeakPolarHBondContact O-CA 3.31Å; D308-F312 PolarHBondContact O-N 2.85Å; F312-F314 PolarHBondContact O-N 3.25Å; F312-V414 HydrophobicContact CE1-CG2 4.07Å; F312-V414 HydrophobicContact CZ-CG2 4.41Å
313	E	98.6	Very high	92.5	Very high	75 Å²	75	56.7 Å²	56.7	35%	0.35	29%	0.287	S	S	.	.			trans	-60.8	131.4	168	-177	169.4	-156.1	0	0	110.1	P125 I307 D308 T311 M315	P125-E313 HydrophobicContact CB-CB 3.99Å; P125-E313 HydrophobicContact CB-CG 4.5Å; I307-E313 CarbonylContact C-O 3.54Å; I307-E313 VanDerWaalsContact CA-O 3.29Å; I307-E313 WeakPolarHBondContact CA-O 3.26Å; D308-E313 HydrophobicContact CB-CB 4.22Å; D308-E313 PolarHBondContact N-O 3.33Å; T311-E313 PolarHBondContact O-N 3.45Å; T311-E313 PolarHBondContact OG1-N 3.48Å; E313-M315 HydrophobicContact CG-SD 4.37Å
314	F	98.5	Very high	92.2	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.013	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-93.5	116	173.8	-172	-76.1	0	0	0	109	G123 L162 E279 F281 T305 I307 F312 K316 V410 G412	G123-F314 PolarHBondContact O-N 3.07Å; L162-F314 HydrophobicContact CD1-CD2 3.78Å; L162-F314 HydrophobicContact CD1-CE1 4.34Å; L162-F314 HydrophobicContact CD1-CE2 3.55Å; L162-F314 HydrophobicContact CD1-CG 4.27Å; L162-F314 HydrophobicContact CD1-CZ 3.87Å; L162-F314 HydrophobicContact CD2-CB 4.07Å; L162-F314 HydrophobicContact CD2-CD2 3.81Å; L162-F314 HydrophobicContact CD2-CE2 4.45Å; L162-F314 HydrophobicContact CD2-CG 3.97Å; L162-F314 HydrophobicContact CG-CD2 4.42Å; E279-F314 HydrophobicContact CB-CD2 4.35Å; E279-F314 HydrophobicContact CB-CE2 4.17Å; E279-F314 WeakPolarHBondContact O-CE2 3.48Å; F281-F314 HydrophobicContact CB-CZ 4.4Å; F281-F314 AromaticContact CD2-CE1 3.71Å; F281-F314 HydrophobicContact CD2-CE1 3.71Å; F281-F314 AromaticContact CD2-CZ 3.88Å; F281-F314 HydrophobicContact CD2-CZ 3.88Å; F281-F314 HydrophobicContact CE2-CE1 4.12Å; T305-F314 HydrophobicContact CG2-CD1 4.25Å; T305-F314 HydrophobicContact CG2-CE1 3.5Å; T305-F314 HydrophobicContact CG2-CE2 4.12Å; T305-F314 HydrophobicContact CG2-CZ 3.42Å; T305-F314 VanDerWaalsContact CG2-CZ 3.42Å; I307-F314 HydrophobicContact CD1-CD2 4.23Å; I307-F314 HydrophobicContact CG1-CD2 3.84Å; I307-F314 HydrophobicContact CG1-CE2 4.36Å; F312-F314 PolarHBondContact O-N 3.25Å; F314-K316 HydrophobicContact CD1-CG 3.97Å; F314-K316 PolarHBondContact O-N 2.81Å; F314-V410 HydrophobicContact CZ-CG1 4.34Å; F314-G412 VanDerWaalsContact CE2-CA 3.47Å
315	M	96.7	Very high	92	Very high	91 Å²	91	57.9 Å²	57.9	45%	0.448	29%	0.293	S	S	.	.			trans	-72.3	97.7	177.3	-60.9	-57.1	-70.5	0	0	109.8	T305 T306 E313	T305-M315 WeakPolarHBondContact CB-O 3.44Å; T305-M315 VanDerWaalsContact CG2-O 3.32Å; T305-M315 WeakPolarHBondContact CG2-O 3.35Å; T305-M315 WeakPolarHBondContact OG1-CB 3.24Å; T305-M315 PolarHBondContact OG1-O 3.42Å; T306-M315 WeakPolarHBondContact O-CB 3.43Å; T306-M315 WeakPolarHBondContact O-CG 3.35Å; T306-M315 PolarHBondContact O-N 3.13Å; E313-M315 HydrophobicContact CG-SD 4.37Å
316	K	95.4	Very high	92	Very high	71 Å²	71	57 Å²	57	31%	0.309	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-71.2	149.2	-172.3	-62.2	-173	-169.4	-170.4	0	112.7	A122 L162 F314	A122-K316 WeakPolarHBondContact O-CE 3.39Å; A122-K316 PolarHBondContact O-NZ 3.42Å; L162-K316 WeakPolarHBondContact O-CE 3.32Å; L162-K316 PolarHBondContact O-NZ 3.42Å; F314-K316 HydrophobicContact CD1-CG 3.97Å; F314-K316 PolarHBondContact O-N 2.81Å
317	P	93.8	Very high	92	Very high	20 Å²	20	54.2 Å²	54.2	13%	0.13	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-62.3	152.2	171.3	28	-34.2	0	0	0	110.6	T166 R167 F281 V410	T166-P317 VanDerWaalsContact CB-O 3.24Å; T166-P317 WeakPolarHBondContact CB-O 3.46Å; T166-P317 CarbonylContact O-C 3.53Å; T166-P317 VanDerWaalsContact O-O 3.07Å; T166-P317 PolarHBondContact OG1-O 2.97Å; R167-P317 HydrophobicContact CG-CB 4.27Å; R167-P317 HydrophobicContact CG-CG 3.7Å; F281-P317 HydrophobicContact CD1-CG 4.1Å; F281-P317 HydrophobicContact CE1-CG 3.72Å; F281-P317 HydrophobicContact CZ-CG 4.11Å; P317-V410 HydrophobicContact CB-CG2 4.21Å; P317-V410 HydrophobicContact CG-CG2 4.21Å
318	S	90.2	Very high	91.9	Very high	32 Å²	32	55.5 Å²	55.5	22%	0.224	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-95.1	140.6	175.5	178.3	0	0	0	0	110.7	T166 Y320 G321	T166-S318 CarbonylContact O-C 3.57Å; S318-Y320 PolarHBondContact O-N 2.89Å; S318-Y320 PolarHBondContact OG-N 2.93Å; S318-G321 PolarHBondContact O-N 3.37Å
319	P	89.5	Confident	91.7	Very high	53 Å²	53	53.6 Å²	53.6	34%	0.344	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.2	179.5	29.1	-36.1	0	0	0	113.3	T166 G321	T166-P319 WeakPolarHBondContact O-CA 3.46Å; T166-P319 WeakPolarHBondContact O-CD 3.44Å; P319-G321 VanDerWaalsContact C-N 3.34Å
320	Y	86.1	Confident	91.3	Very high	212 Å²	212	54.5 Å²	54.5	83%	0.831	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	1.2	-179.3	-55.7	-69.8	0	0	0	113.7	S318	S318-Y320 PolarHBondContact O-N 2.89Å; S318-Y320 PolarHBondContact OG-N 2.93Å
321	G	71.5	Confident	91	Very high	24 Å²	24	51.5 Å²	51.5	25%	0.247	25%	0.254	C	S	.	.			trans	73.5	123.3	-166.2	0	0	0	0	0	110.4	S318 P319	S318-G321 PolarHBondContact O-N 3.37Å; P319-G321 VanDerWaalsContact C-N 3.34Å
322	Q	68.5	Low	90.6	Very high	121 Å²	121	51.2 Å²	51.2	57%	0.565	26%	0.256	S	S	*	.			trans	-82.7	169.3	174.4	-74.9	-132	5.4	0	0	111.1	H324	Q322-H324 PolarHBondContact O-CD2 3.36Å; Q322-H324 PolarHBondContact O-N 3.49Å
323	H	79	Confident	90.4	Very high	166 Å²	166	51.3 Å²	51.3	77%	0.769	26%	0.257	S	S	*	.			trans	-63.1	92.1	160.5	-67.5	-56.4	0	0	0	108.7
324	H	91.6	Very high	90	Very high	19 Å²	19	50.4 Å²	50.4	9%	0.088	26%	0.259	C	S	.	.			trans	-62.2	146.2	175.5	-60.6	-66	0	0	0	110.8	D303 Q322 L340 E351 I355	D303-H324 IonicContact OD2-ND1 3.13Å; Q322-H324 PolarHBondContact O-CD2 3.36Å; Q322-H324 PolarHBondContact O-N 3.49Å; H324-L340 HydrophobicContact CB-CD1 3.87Å; H324-L340 HydrophobicContact CB-CG 4.1Å; H324-E351 IonicContact CD2-OE1 2.73Å; H324-E351 IonicContact CD2-OE2 2.72Å; H324-E351 IonicContact CE1-OE2 3.41Å; H324-E351 PolarHBondContact CE1-OE2 2.99Å; H324-E351 VanDerWaalsContact CE1-OE2 3.27Å; H324-E351 IonicContact NE2-OE1 3.91Å; H324-E351 PolarHBondContact NE2-OE1 3.26Å; H324-E351 IonicContact NE2-OE2 3.48Å; H324-E351 PolarHBondContact NE2-OE2 3.17Å; H324-I355 HydrophobicContact CB-CD1 3.62Å
325	N	93.4	Very high	89.7	Confident	66 Å²	66	53 Å²	53	35%	0.353	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	154.4	168.7	-63.9	-49.2	0	0	0	110	W337 E338	N325-W337 HydrophobicContact CB-CB 4.1Å; N325-W337 HydrophobicContact CB-CD2 4.39Å; N325-W337 HydrophobicContact CB-CE3 3.84Å; N325-E338 CarbonylContact C-O 3.58Å; N325-E338 WeakPolarHBondContact CA-O 3.07Å
326	R	96.2	Very high	89.5	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	156.1	165.3	68.5	-177.9	-168.9	169.8	-0.4	109.2	W337 E338 L340 P341 I355 E493	R326-W337 WeakPolarHBondContact O-CA 3.08Å; R326-E338 HydrophobicContact CG-CG 3.8Å; R326-E338 IonicContact CZ-OE1 2.69Å; R326-E338 PolarHBondContact N-O 3.48Å; R326-E338 IonicContact NE-OE1 2.73Å; R326-E338 PolarHBondContact NE-OE1 2.82Å; R326-E338 IonicContact NH2-OE1 3.36Å; R326-E338 PolarHBondContact NH2-OE1 2.71Å; R326-E338 PolarHBondContact O-N 2.73Å; R326-L340 HydrophobicContact CB-CD2 3.74Å; R326-L340 HydrophobicContact CG-CD2 4Å; R326-P341 VanDerWaalsContact CZ-CD 3.44Å; R326-I355 HydrophobicContact CB-CG2 4.29Å; R326-E493 IonicContact CZ-OE2 3.54Å; R326-E493 IonicContact NH1-OE2 3.67Å; R326-E493 IonicContact NH2-OE2 2.71Å; R326-E493 PolarHBondContact NH2-OE2 2.93Å
327	G	97.3	Very high	89.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	137	176.7	0	0	0	0	0	112	G336 T357 P358 T359	G327-G336 WeakPolarHBondContact CA-O 3.48Å; G327-T357 PolarHBondContact N-OG1 3.09Å; G327-T357 PolarHBondContact O-OG1 3.3Å; G327-P358 VanDerWaalsContact O-CD 3.25Å; G327-P358 WeakPolarHBondContact O-CD 3.07Å; G327-T359 WeakPolarHBondContact CA-O 3.33Å; G327-T359 PolarHBondContact O-N 2.58Å; G327-T359 VanDerWaalsContact O-N 3.14Å; G327-T359 PolarHBondContact O-OG1 3.48Å
328	N	95.4	Very high	89.3	Confident	27 Å²	27	51.7 Å²	51.7	14%	0.144	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	-172.2	171.1	68.2	12.4	0	0	0	112	G336 E338 T359 Y491	N328-G336 PolarHBondContact N-O 3.12Å; N328-G336 PolarHBondContact O-N 3.07Å; N328-G336 WeakPolarHBondContact OD1-CA 3.25Å; N328-G336 PolarHBondContact OD1-N 3.49Å; N328-G336 PolarHBondContact OD1-O 3.16Å; N328-G336 VanDerWaalsContact OD1-O 3.09Å; N328-E338 HydrophobicContact CB-CG 4.03Å; N328-E338 WeakPolarHBondContact ND2-CB 3.41Å; N328-E338 PolarHBondContact ND2-OE2 2.92Å; N328-T359 VanDerWaalsContact C-OG1 3.24Å; N328-T359 WeakPolarHBondContact CA-OG1 3.3Å; N328-T359 PolarHBondContact N-OG1 2.81Å; N328-T359 VanDerWaalsContact N-OG1 3.09Å; N328-T359 PolarHBondContact O-OG1 3.35Å; N328-Y491 HydrophobicContact CB-CE1 4Å; N328-Y491 VanDerWaalsContact CB-OH 3.27Å; N328-Y491 WeakPolarHBondContact CB-OH 3.39Å
329	F	94.3	Very high	89.5	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.5	167.3	69.3	-77.6	0	0	0	109.9	W331 L333 S334 T359 I390 F394 F483 Y486 L487 Y491	F329-W331 HydrophobicContact CE2-CE3 4.49Å; F329-L333 HydrophobicContact CD2-CD2 4.07Å; F329-L333 HydrophobicContact CE2-CD2 4.47Å; F329-S334 WeakPolarHBondContact CA-O 3.5Å; F329-T359 HydrophobicContact CB-CG2 4.27Å; F329-T359 HydrophobicContact CD1-CG2 3.84Å; F329-T359 HydrophobicContact CG-CG2 4.48Å; F329-I390 HydrophobicContact CB-CD1 4.07Å; F329-F394 AromaticContact CD1-CE1 3.8Å; F329-F394 HydrophobicContact CD1-CE1 3.8Å; F329-F394 AromaticContact CD1-CZ 3.94Å; F329-F394 HydrophobicContact CD1-CZ 3.94Å; F329-F394 HydrophobicContact CD2-CZ 4.03Å; F329-F394 AromaticContact CE1-CE1 3.69Å; F329-F394 HydrophobicContact CE1-CE1 3.69Å; F329-F394 AromaticContact CE1-CZ 3.85Å; F329-F394 HydrophobicContact CE1-CZ 3.85Å; F329-F394 AromaticContact CE2-CZ 3.97Å; F329-F394 HydrophobicContact CE2-CZ 3.97Å; F329-F394 HydrophobicContact CG-CE1 4.33Å; F329-F394 HydrophobicContact CG-CZ 4.05Å; F329-F394 HydrophobicContact CZ-CE1 4.15Å; F329-F394 AromaticContact CZ-CZ 3.89Å; F329-F394 HydrophobicContact CZ-CZ 3.89Å; F329-F483 HydrophobicContact CE2-CZ 4.32Å; F329-F483 HydrophobicContact CZ-CE1 4.48Å; F329-F483 AromaticContact CZ-CZ 3.82Å; F329-F483 HydrophobicContact CZ-CZ 3.82Å; F329-Y486 AromaticContact CE1-CE1 3.87Å; F329-Y486 HydrophobicContact CE1-CE1 3.87Å; F329-Y486 HydrophobicContact CZ-CE1 4.43Å; F329-L487 HydrophobicContact CZ-CD2 4.26Å; F329-Y491 HydrophobicContact CD1-CD1 4.28Å; F329-Y491 HydrophobicContact CD1-CE1 4.25Å; F329-Y491 AromaticContact CE1-CD1 3.81Å; F329-Y491 HydrophobicContact CE1-CD1 3.81Å; F329-Y491 HydrophobicContact CE1-CE1 4.11Å
330	D	89.8	Confident	89.7	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.283	27%	0.266	S	S	.	.			trans	-87.7	168.7	167	70.1	20.6	0	0	0	111.2	G332 L333 S334	D330-G332 PolarHBondContact O-N 3.32Å; D330-G332 VanDerWaalsContact O-N 3.15Å; D330-G332 WeakPolarHBondContact OD1-CA 3.36Å; D330-G332 PolarHBondContact OD1-N 3.35Å; D330-L333 WeakPolarHBondContact O-CA 3.45Å; D330-L333 PolarHBondContact O-N 3.39Å; D330-L333 PolarHBondContact OD1-N 2.94Å; D330-S334 PolarHBondContact N-O 3.11Å; D330-S334 WeakPolarHBondContact OD1-CB 3.41Å; D330-S334 PolarHBondContact OD1-N 3.4Å; D330-S334 PolarHBondContact OD1-OG 3.09Å; D330-S334 VanDerWaalsContact OD2-CB 3.31Å; D330-S334 WeakPolarHBondContact OD2-CB 3.33Å; D330-S334 PolarHBondContact OD2-OG 3.1Å
331	W	89.8	Confident	90	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.038	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.9	177	-68.7	100.6	0	0	0	114.2	F329 L333 M442 Y445 I448 F449 F483 L487 V494 F495 P497	F329-W331 HydrophobicContact CE2-CE3 4.49Å; W331-L333 VanDerWaalsContact C-N 3.3Å; W331-M442 HydrophobicContact CE3-CE 4.36Å; W331-M442 HydrophobicContact CZ3-CE 4.05Å; W331-Y445 HydrophobicContact CH2-CD1 4.14Å; W331-I448 HydrophobicContact CB-CG2 3.96Å; W331-I448 HydrophobicContact CD2-CB 4.46Å; W331-I448 HydrophobicContact CD2-CG2 3.56Å; W331-I448 HydrophobicContact CE3-CB 3.83Å; W331-I448 HydrophobicContact CE3-CD1 4.22Å; W331-I448 HydrophobicContact CE3-CG2 3.4Å; W331-I448 VanDerWaalsContact CE3-CG2 3.4Å; W331-I448 HydrophobicContact CG-CG2 3.81Å; W331-I448 HydrophobicContact CH2-CD1 3.94Å; W331-I448 HydrophobicContact CZ2-CD1 4.41Å; W331-I448 HydrophobicContact CZ3-CB 4.13Å; W331-I448 HydrophobicContact CZ3-CD1 3.85Å; W331-I448 HydrophobicContact CZ3-CG2 4.08Å; W331-F449 WeakPolarHBondContact O-CA 3.37Å; W331-F483 HydrophobicContact CH2-CE1 4.32Å; W331-F483 HydrophobicContact CZ3-CE1 4.38Å; W331-L487 HydrophobicContact CH2-CD1 4.29Å; W331-V494 HydrophobicContact CZ2-CG2 4.42Å; W331-F495 PolarHBondContact NE1-O 3.4Å; W331-P497 HydrophobicContact CD2-CG 4.26Å; W331-P497 VanDerWaalsContact CE2-CD 3.43Å; W331-P497 HydrophobicContact CG-CG 4Å
332	G	89.3	Confident	91	Very high	18 Å²	18	47.1 Å²	47.1	19%	0.186	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.8	162.4	0	0	0	0	0	113.3	D330 S334 Q434	D330-G332 PolarHBondContact O-N 3.32Å; D330-G332 VanDerWaalsContact O-N 3.15Å; D330-G332 WeakPolarHBondContact OD1-CA 3.36Å; D330-G332 PolarHBondContact OD1-N 3.35Å; G332-S334 VanDerWaalsContact C-N 3.28Å; G332-Q434 PolarHBondContact O-NE2 2.55Å
333	L	92.7	Very high	92.1	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.242	C	C	.	.			trans	60.2	35.2	-174.7	-59.3	176.3	0	0	0	113.3	F329 D330 W331 F394 Q434 L437 A438 M442 F449	F329-L333 HydrophobicContact CD2-CD2 4.07Å; F329-L333 HydrophobicContact CE2-CD2 4.47Å; D330-L333 WeakPolarHBondContact O-CA 3.45Å; D330-L333 PolarHBondContact O-N 3.39Å; D330-L333 PolarHBondContact OD1-N 2.94Å; W331-L333 VanDerWaalsContact C-N 3.3Å; L333-F394 HydrophobicContact CD2-CE2 4.41Å; L333-Q434 HydrophobicContact CB-CG 4.1Å; L333-Q434 HydrophobicContact CD1-CB 4.08Å; L333-Q434 PolarHBondContact O-NE2 3.09Å; L333-L437 HydrophobicContact CD1-CD1 3.85Å; L333-L437 HydrophobicContact CD1-CG 4.44Å; L333-L437 HydrophobicContact CD2-CD1 4.34Å; L333-A438 HydrophobicContact CD1-CB 4.2Å; L333-M442 HydrophobicContact CD1-SD 3.84Å; L333-M442 HydrophobicContact CD2-CE 3.89Å; L333-M442 HydrophobicContact CD2-SD 3.65Å; L333-M442 HydrophobicContact CG-SD 4.31Å; L333-F449 HydrophobicContact CB-CD2 4.39Å; L333-F449 HydrophobicContact CB-CE2 4.36Å; L333-F449 HydrophobicContact CD1-CB 4.3Å; L333-F449 HydrophobicContact CD1-CD1 3.74Å; L333-F449 HydrophobicContact CD1-CD2 3.77Å; L333-F449 HydrophobicContact CD1-CE1 3.9Å; L333-F449 HydrophobicContact CD1-CE2 3.95Å; L333-F449 HydrophobicContact CD1-CG 3.66Å; L333-F449 HydrophobicContact CD1-CZ 4.02Å; L333-F449 HydrophobicContact CG-CB 4.41Å; L333-F449 HydrophobicContact CG-CD2 3.8Å; L333-F449 HydrophobicContact CG-CE2 4.18Å; L333-F449 HydrophobicContact CG-CG 4.03Å
334	S	90.5	Very high	92.8	Very high	56 Å²	56	38.4 Å²	38.4	39%	0.392	21%	0.207	S	C	.	.			trans	-92.1	143.2	168.6	-42.6	0	0	0	0	109.8	F329 D330 G332	F329-S334 WeakPolarHBondContact CA-O 3.5Å; D330-S334 PolarHBondContact N-O 3.11Å; D330-S334 WeakPolarHBondContact OD1-CB 3.41Å; D330-S334 PolarHBondContact OD1-N 3.4Å; D330-S334 PolarHBondContact OD1-OG 3.09Å; D330-S334 VanDerWaalsContact OD2-CB 3.31Å; D330-S334 WeakPolarHBondContact OD2-CB 3.33Å; D330-S334 PolarHBondContact OD2-OG 3.1Å; G332-S334 VanDerWaalsContact C-N 3.28Å
335	F	93.6	Very high	92.9	Very high	57 Å²	57	42.2 Å²	42.2	25%	0.25	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	144.5	171.3	173.3	-98.2	0	0	0	110.9	W337 T359 F360 A361 I390	F335-W337 HydrophobicContact CE1-CD2 4.08Å; F335-W337 AromaticContact CE1-CE2 3.55Å; F335-W337 HydrophobicContact CE1-CG 4.43Å; F335-W337 AromaticContact CE1-CZ2 3.82Å; F335-W337 HydrophobicContact CE1-CZ2 3.82Å; F335-W337 AromaticContact CE1-NE1 3.59Å; F335-W337 AromaticContact CZ-CD2 3.89Å; F335-W337 HydrophobicContact CZ-CD2 3.89Å; F335-W337 AromaticContact CZ-CE2 3.63Å; F335-W337 HydrophobicContact CZ-CE3 4.15Å; F335-W337 AromaticContact CZ-CH2 3.96Å; F335-W337 HydrophobicContact CZ-CH2 3.96Å; F335-W337 AromaticContact CZ-CZ2 3.67Å; F335-W337 HydrophobicContact CZ-CZ2 3.67Å; F335-W337 HydrophobicContact CZ-CZ3 4.19Å; F335-T359 WeakPolarHBondContact CD2-OG1 3.48Å; F335-F360 WeakPolarHBondContact CD2-O 3.3Å; F335-F360 WeakPolarHBondContact CE2-O 3.42Å; F335-A361 HydrophobicContact CE1-CB 3.86Å; F335-A361 HydrophobicContact CE2-CB 4.41Å; F335-A361 HydrophobicContact CZ-CB 3.79Å; F335-I390 HydrophobicContact CB-CD1 4.12Å; F335-I390 HydrophobicContact CD2-CD1 4.29Å
336	G	92.3	Very high	92.9	Very high	21 Å²	21	46.7 Å²	46.7	22%	0.216	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-179	172	0	0	0	0	0	112.5	G327 N328	G327-G336 WeakPolarHBondContact CA-O 3.48Å; N328-G336 PolarHBondContact N-O 3.12Å; N328-G336 PolarHBondContact O-N 3.07Å; N328-G336 WeakPolarHBondContact OD1-CA 3.25Å; N328-G336 PolarHBondContact OD1-N 3.49Å; N328-G336 PolarHBondContact OD1-O 3.16Å; N328-G336 VanDerWaalsContact OD1-O 3.09Å
337	W	93.1	Very high	92.9	Very high	95 Å²	95	50.6 Å²	50.6	36%	0.36	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.9	176.8	-65.9	107.8	0	0	0	109.8	N325 R326 F335 A361 I405	N325-W337 HydrophobicContact CB-CB 4.1Å; N325-W337 HydrophobicContact CB-CD2 4.39Å; N325-W337 HydrophobicContact CB-CE3 3.84Å; R326-W337 WeakPolarHBondContact O-CA 3.08Å; F335-W337 HydrophobicContact CE1-CD2 4.08Å; F335-W337 AromaticContact CE1-CE2 3.55Å; F335-W337 HydrophobicContact CE1-CG 4.43Å; F335-W337 AromaticContact CE1-CZ2 3.82Å; F335-W337 HydrophobicContact CE1-CZ2 3.82Å; F335-W337 AromaticContact CE1-NE1 3.59Å; F335-W337 AromaticContact CZ-CD2 3.89Å; F335-W337 HydrophobicContact CZ-CD2 3.89Å; F335-W337 AromaticContact CZ-CE2 3.63Å; F335-W337 HydrophobicContact CZ-CE3 4.15Å; F335-W337 AromaticContact CZ-CH2 3.96Å; F335-W337 HydrophobicContact CZ-CH2 3.96Å; F335-W337 AromaticContact CZ-CZ2 3.67Å; F335-W337 HydrophobicContact CZ-CZ2 3.67Å; F335-W337 HydrophobicContact CZ-CZ3 4.19Å; W337-A361 HydrophobicContact CH2-CB 4.44Å; W337-A361 HydrophobicContact CZ2-CB 4.09Å; W337-I405 HydrophobicContact CZ3-CD1 4.02Å
338	E	91.7	Very high	92.8	Very high	40 Å²	40	51.9 Å²	51.9	19%	0.187	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.8	171.4	61.2	176.9	-150	0	0	111.7	N325 R326 N328 Y491	N325-E338 CarbonylContact C-O 3.58Å; N325-E338 WeakPolarHBondContact CA-O 3.07Å; R326-E338 HydrophobicContact CG-CG 3.8Å; R326-E338 IonicContact CZ-OE1 2.69Å; R326-E338 PolarHBondContact N-O 3.48Å; R326-E338 IonicContact NE-OE1 2.73Å; R326-E338 PolarHBondContact NE-OE1 2.82Å; R326-E338 IonicContact NH2-OE1 3.36Å; R326-E338 PolarHBondContact NH2-OE1 2.71Å; R326-E338 PolarHBondContact O-N 2.73Å; N328-E338 HydrophobicContact CB-CG 4.03Å; N328-E338 WeakPolarHBondContact ND2-CB 3.41Å; N328-E338 PolarHBondContact ND2-OE2 2.92Å; E338-Y491 WeakPolarHBondContact OE1-CE2 3.15Å; E338-Y491 PolarHBondContact OE2-OH 3.31Å
339	T	93.3	Very high	92.7	Very high	94 Å²	94	58.6 Å²	58.6	58%	0.577	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	153	174.7	65.7	0	0	0	0	111.8
340	L	94.3	Very high	92.8	Very high	6 Å²	6	61 Å²	61	3%	0.031	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-65.4	137.8	177.1	-54.5	-172.1	0	0	0	112	H324 R326 K345 I355	H324-L340 HydrophobicContact CB-CD1 3.87Å; H324-L340 HydrophobicContact CB-CG 4.1Å; R326-L340 HydrophobicContact CB-CD2 3.74Å; R326-L340 HydrophobicContact CG-CD2 4Å; L340-K345 HydrophobicContact CB-CG 3.99Å; L340-K345 WeakPolarHBondContact O-CE 3.16Å; L340-K345 PolarHBondContact O-NZ 3.02Å; L340-K345 VanDerWaalsContact O-NZ 3.08Å; L340-I355 HydrophobicContact CD1-CD1 3.98Å; L340-I355 HydrophobicContact CD1-CG1 4.13Å; L340-I355 HydrophobicContact CD1-CG2 4.22Å; L340-I355 HydrophobicContact CD2-CG2 3.48Å; L340-I355 VanDerWaalsContact CD2-CG2 3.48Å
341	P	92.5	Very high	93.1	Very high	19 Å²	19	59.6 Å²	59.6	12%	0.123	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-71.2	157.8	171.2	31.8	-36.5	0	0	0	111.1	R326 H343 E344 K345 E493	R326-P341 VanDerWaalsContact CZ-CD 3.44Å; P341-H343 VanDerWaalsContact C-N 3.31Å; P341-H343 WeakPolarHBondContact CG-NE2 3.46Å; P341-H343 PolarHBondContact O-N 2.83Å; P341-E344 HydrophobicContact CG-CB 3.97Å; P341-E344 PolarHBondContact O-N 2.99Å; P341-E344 VanDerWaalsContact O-N 3.08Å; P341-K345 PolarHBondContact O-N 2.6Å; P341-K345 VanDerWaalsContact O-N 3.13Å; P341-E493 HydrophobicContact CB-CG 4.07Å
342	D	91.8	Very high	93.4	Very high	106 Å²	106	61 Å²	61	57%	0.567	30%	0.304	S	S	*	.	H	α-helix	trans	-62.6	-35	-172.1	-67.1	-22.7	0	0	0	113.7	E344 K345 Q346	D342-E344 VanDerWaalsContact C-N 3.29Å; D342-E344 PolarHBondContact O-N 2.8Å; D342-K345 PolarHBondContact O-N 2.84Å; D342-K345 IonicContact OD1-NZ 3.96Å; D342-K345 PolarHBondContact OD1-NZ 3.2Å; D342-Q346 WeakPolarHBondContact O-CB 3.46Å; D342-Q346 WeakPolarHBondContact O-CG 3.26Å; D342-Q346 PolarHBondContact O-N 2.93Å
343	H	91.6	Very high	93.8	Very high	97 Å²	97	63.6 Å²	63.6	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-34.7	177.2	71.1	85.7	0	0	0	112.2	P341 Q346 R347 E493	P341-H343 VanDerWaalsContact C-N 3.31Å; P341-H343 WeakPolarHBondContact CG-NE2 3.46Å; P341-H343 PolarHBondContact O-N 2.83Å; H343-Q346 PolarHBondContact O-N 3.25Å; H343-R347 WeakPolarHBondContact O-CB 3.34Å; H343-R347 PolarHBondContact O-N 2.92Å; H343-E493 IonicContact CD2-OE1 3.41Å; H343-E493 PolarHBondContact CD2-OE1 3.08Å; H343-E493 IonicContact CE1-OE1 3.61Å; H343-E493 IonicContact NE2-OE1 3.49Å; H343-E493 PolarHBondContact NE2-OE1 3.14Å
344	E	94.4	Very high	94.1	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.028	31%	0.313	C	S	.	.	H	α-helix	trans	-74.9	-37.6	178.2	-176.9	61.6	-175.5	0	0	110.7	P341 D342 Q346 R347 R348 I355 K356	P341-E344 HydrophobicContact CG-CB 3.97Å; P341-E344 PolarHBondContact O-N 2.99Å; P341-E344 VanDerWaalsContact O-N 3.08Å; D342-E344 VanDerWaalsContact C-N 3.29Å; D342-E344 PolarHBondContact O-N 2.8Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; E344-Q346 PolarHBondContact O-N 3.37Å; E344-R347 PolarHBondContact O-N 2.88Å; E344-R347 IonicContact OE1-CZ 3.7Å; E344-R347 IonicContact OE1-NE 2.84Å; E344-R347 IonicContact OE1-NH2 2.74Å; E344-R347 PolarHBondContact OE1-NH2 3.27Å; E344-R347 IonicContact OE2-CZ 3.64Å; E344-R347 IonicContact OE2-NE 3.8Å; E344-R347 PolarHBondContact OE2-NE 2.8Å; E344-R347 IonicContact OE2-NH2 2.66Å; E344-R348 WeakPolarHBondContact O-CG 3.38Å; E344-R348 PolarHBondContact O-N 2.81Å; E344-I355 WeakPolarHBondContact OE1-CA 3.25Å; E344-K356 PolarHBondContact OE1-N 3.04Å
345	K	93	Very high	94.5	Very high	99 Å²	99	61.6 Å²	61.6	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-44.4	170.4	-66.1	174.6	-174.2	149.9	0	111.5	L340 P341 D342 R347 R348	L340-K345 HydrophobicContact CB-CG 3.99Å; L340-K345 WeakPolarHBondContact O-CE 3.16Å; L340-K345 PolarHBondContact O-NZ 3.02Å; L340-K345 VanDerWaalsContact O-NZ 3.08Å; P341-K345 PolarHBondContact O-N 2.6Å; P341-K345 VanDerWaalsContact O-N 3.13Å; D342-K345 PolarHBondContact O-N 2.84Å; D342-K345 IonicContact OD1-NZ 3.96Å; D342-K345 PolarHBondContact OD1-NZ 3.2Å; K345-R347 VanDerWaalsContact C-N 3.35Å; K345-R347 PolarHBondContact O-N 3.43Å; K345-R348 PolarHBondContact O-N 2.86Å
346	Q	94.1	Very high	94.7	Very high	161 Å²	161	62.6 Å²	62.6	75%	0.752	30%	0.299	S	S	*	.	H	α-helix	trans	-68.7	-30.8	179.6	-71.8	168.9	19.6	0	0	113.3	D342 H343 E344	D342-Q346 WeakPolarHBondContact O-CB 3.46Å; D342-Q346 WeakPolarHBondContact O-CG 3.26Å; D342-Q346 PolarHBondContact O-N 2.93Å; H343-Q346 PolarHBondContact O-N 3.25Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; E344-Q346 PolarHBondContact O-N 3.37Å
347	R	95.7	Very high	95	Very high	88 Å²	88	61.6 Å²	61.6	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-69.6	-34.4	179	-170.3	-167.7	65	72.2	-1	112.2	H343 E344 K345 P354	H343-R347 WeakPolarHBondContact O-CB 3.34Å; H343-R347 PolarHBondContact O-N 2.92Å; E344-R347 PolarHBondContact O-N 2.88Å; E344-R347 IonicContact OE1-CZ 3.7Å; E344-R347 IonicContact OE1-NE 2.84Å; E344-R347 IonicContact OE1-NH2 2.74Å; E344-R347 PolarHBondContact OE1-NH2 3.27Å; E344-R347 IonicContact OE2-CZ 3.64Å; E344-R347 IonicContact OE2-NE 3.8Å; E344-R347 PolarHBondContact OE2-NE 2.8Å; E344-R347 IonicContact OE2-NH2 2.66Å; K345-R347 VanDerWaalsContact C-N 3.35Å; K345-R347 PolarHBondContact O-N 3.43Å; R347-P354 PolarHBondContact NH2-O 3.4Å
348	R	95.4	Very high	95.3	Very high	27 Å²	27	57.1 Å²	57.1	10%	0.102	27%	0.272	C	S	.	.			trans	-83	125.7	-177.1	-64.6	173.1	65.6	-121.3	-6.7	109.5	E344 K345 E351 Y353	E344-R348 WeakPolarHBondContact O-CG 3.38Å; E344-R348 PolarHBondContact O-N 2.81Å; K345-R348 PolarHBondContact O-N 2.86Å; R348-E351 IonicContact CZ-OE1 3.29Å; R348-E351 IonicContact CZ-OE2 2.71Å; R348-E351 IonicContact NH1-OE1 3.24Å; R348-E351 IonicContact NH2-OE1 2.7Å; R348-E351 PolarHBondContact NH2-OE1 3.21Å; R348-E351 IonicContact NH2-OE2 2.76Å; R348-E351 PolarHBondContact NH2-OE2 3.35Å; R348-Y353 PolarHBondContact NE-O 2.99Å
349	K	94.7	Very high	95.6	Very high	168 Å²	168	55.2 Å²	55.2	73%	0.73	26%	0.263	S	S	*	.	S	Bend	trans	-89.3	-30.3	-179.3	-60.1	-173	-172.2	169.7	0	112.9	Y353	K349-Y353 HydrophobicContact CB-CD2 4.36Å; K349-Y353 HydrophobicContact CB-CE2 3.87Å; K349-Y353 WeakPolarHBondContact CD-OH 3.43Å; K349-Y353 HydrophobicContact CG-CE1 4.31Å; K349-Y353 HydrophobicContact CG-CE2 4.33Å
350	D	95.3	Very high	95.8	Very high	56 Å²	56	50.9 Å²	50.9	30%	0.299	24%	0.236	S	C	.	.	S	Bend	trans	-157.7	178.8	-178.9	60.4	58.4	0	0	0	108.9	E170 T352 Y353	E170-D350 HydrophobicContact CG-CB 4.09Å; D350-T352 VanDerWaalsContact C-N 3.27Å; D350-T352 PolarHBondContact O-N 3.05Å; D350-T352 WeakPolarHBondContact OD1-CA 3.26Å; D350-T352 VanDerWaalsContact OD1-CB 3.26Å; D350-T352 WeakPolarHBondContact OD1-CB 3.35Å; D350-T352 PolarHBondContact OD1-N 3.31Å; D350-T352 PolarHBondContact OD1-OG1 2.88Å; D350-Y353 PolarHBondContact O-N 3.14Å; D350-Y353 WeakPolarHBondContact OD1-CD2 3.26Å
351	E	96.4	Very high	95.8	Very high	24 Å²	24	51.9 Å²	51.9	11%	0.112	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.3	-174.4	-68	-65.1	152.4	0	0	115	P168 E170 H324 R348 Y353 P407 C408	P168-E351 HydrophobicContact CB-CB 3.93Å; P168-E351 HydrophobicContact CB-CG 3.96Å; P168-E351 HydrophobicContact CG-CB 3.85Å; P168-E351 HydrophobicContact CG-CG 3.67Å; E170-E351 HydrophobicContact CG-CB 4.1Å; E170-E351 WeakPolarHBondContact OE1-CB 3.26Å; E170-E351 WeakPolarHBondContact OE1-CG 3.44Å; E170-E351 PolarHBondContact OE1-N 2.76Å; H324-E351 IonicContact CD2-OE1 2.73Å; H324-E351 IonicContact CD2-OE2 2.72Å; H324-E351 IonicContact CE1-OE2 3.41Å; H324-E351 PolarHBondContact CE1-OE2 2.99Å; H324-E351 VanDerWaalsContact CE1-OE2 3.27Å; H324-E351 IonicContact NE2-OE1 3.91Å; H324-E351 PolarHBondContact NE2-OE1 3.26Å; H324-E351 IonicContact NE2-OE2 3.48Å; H324-E351 PolarHBondContact NE2-OE2 3.17Å; R348-E351 IonicContact CZ-OE1 3.29Å; R348-E351 IonicContact CZ-OE2 2.71Å; R348-E351 IonicContact NH1-OE1 3.24Å; R348-E351 IonicContact NH2-OE1 2.7Å; R348-E351 PolarHBondContact NH2-OE1 3.21Å; R348-E351 IonicContact NH2-OE2 2.76Å; R348-E351 PolarHBondContact NH2-OE2 3.35Å; E351-Y353 PolarHBondContact O-N 2.98Å; E351-P407 WeakPolarHBondContact OE2-CB 3.29Å; E351-P407 WeakPolarHBondContact OE2-CG 3.4Å; E351-C408 PolarHBondContact O-SG 3.13Å; E351-C408 VanDerWaalsContact O-SG 3.41Å
352	T	96.8	Very high	95.7	Very high	41 Å²	41	51 Å²	51	25%	0.252	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-15.7	171.9	76.4	0	0	0	0	112.5	E170 Q174 D350	E170-T352 HydrophobicContact CB-CG2 4.11Å; E170-T352 HydrophobicContact CG-CG2 4.01Å; Q174-T352 HydrophobicContact CG-CG2 4.49Å; D350-T352 VanDerWaalsContact C-N 3.27Å; D350-T352 PolarHBondContact O-N 3.05Å; D350-T352 WeakPolarHBondContact OD1-CA 3.26Å; D350-T352 VanDerWaalsContact OD1-CB 3.26Å; D350-T352 WeakPolarHBondContact OD1-CB 3.35Å; D350-T352 PolarHBondContact OD1-N 3.31Å; D350-T352 PolarHBondContact OD1-OG1 2.88Å
353	Y	97.8	Very high	95.7	Very high	71 Å²	71	46.5 Å²	46.5	28%	0.278	22%	0.219	S	C	.	.	S	Bend	trans	-76	129.6	178.4	-78.4	-116.2	0	0	0	110.7	R348 K349 D350 E351	R348-Y353 PolarHBondContact NE-O 2.99Å; K349-Y353 HydrophobicContact CB-CD2 4.36Å; K349-Y353 HydrophobicContact CB-CE2 3.87Å; K349-Y353 WeakPolarHBondContact CD-OH 3.43Å; K349-Y353 HydrophobicContact CG-CE1 4.31Å; K349-Y353 HydrophobicContact CG-CE2 4.33Å; D350-Y353 PolarHBondContact O-N 3.14Å; D350-Y353 WeakPolarHBondContact OD1-CD2 3.26Å; E351-Y353 PolarHBondContact O-N 2.98Å
354	P	98.1	Very high	96	Very high	16 Å²	16	42 Å²	42	10%	0.104	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-59.4	147.1	175.8	25.3	-34.3	0	0	0	110.2	R347 E404 I406	R347-P354 PolarHBondContact NH2-O 3.4Å; P354-E404 HydrophobicContact CB-CB 3.96Å; P354-E404 HydrophobicContact CB-CG 4.08Å; P354-I406 HydrophobicContact CB-CD1 3.61Å
355	I	98.4	Very high	96.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.4	169	-65.1	167.6	0	0	0	107.9	H324 R326 L340 E344 T357 E404 I405 P407	H324-I355 HydrophobicContact CB-CD1 3.62Å; R326-I355 HydrophobicContact CB-CG2 4.29Å; L340-I355 HydrophobicContact CD1-CD1 3.98Å; L340-I355 HydrophobicContact CD1-CG1 4.13Å; L340-I355 HydrophobicContact CD1-CG2 4.22Å; L340-I355 HydrophobicContact CD2-CG2 3.48Å; L340-I355 VanDerWaalsContact CD2-CG2 3.48Å; E344-I355 WeakPolarHBondContact OE1-CA 3.25Å; I355-T357 PolarHBondContact O-N 3.28Å; I355-E404 CarbonylContact O-C 3.59Å; I355-E404 WeakPolarHBondContact O-CA 3.32Å; I355-I405 HydrophobicContact CB-CB 4.23Å; I355-I405 PolarHBondContact N-O 3.1Å; I355-I405 PolarHBondContact O-N 2.95Å; I355-P407 HydrophobicContact CD1-CG 3.68Å; I355-P407 HydrophobicContact CG1-CG 4.04Å
356	K	98.3	Very high	96.5	Very high	78 Å²	78	37.1 Å²	37.1	34%	0.339	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127	171.9	-70.2	-176.1	176.9	-176.5	0	110.4	E344 W397	E344-K356 PolarHBondContact OE1-N 3.04Å; K356-W397 HydrophobicContact CB-CH2 4.41Å; K356-W397 HydrophobicContact CB-CZ2 4.46Å; K356-W397 HydrophobicContact CD-CH2 4.2Å; K356-W397 HydrophobicContact CG-CH2 4.32Å
357	T	98.6	Very high	96.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.14	C	C	.	.			trans	-120.9	126.9	-175	-168.5	0	0	0	0	111.6	G327 I355 T359 W397 L403 I405	G327-T357 PolarHBondContact N-OG1 3.09Å; G327-T357 PolarHBondContact O-OG1 3.3Å; I355-T357 PolarHBondContact O-N 3.28Å; T357-T359 VanDerWaalsContact C-N 3.27Å; T357-T359 WeakPolarHBondContact CB-O 3.4Å; T357-T359 WeakPolarHBondContact CG2-O 3.46Å; T357-T359 PolarHBondContact O-N 3.28Å; T357-T359 PolarHBondContact OG1-O 3.14Å; T357-W397 PolarHBondContact O-NE1 3.27Å; T357-L403 HydrophobicContact CG2-CB 4.16Å; T357-L403 HydrophobicContact CG2-CD2 4.1Å; T357-L403 HydrophobicContact CG2-CG 3.8Å; T357-L403 PolarHBondContact N-O 2.8Å; T357-I405 HydrophobicContact CG2-CD1 4.24Å; T357-I405 HydrophobicContact CG2-CG1 4Å
358	P	98.4	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-54.5	-43.2	176.2	-29.5	34.4	0	0	0	113.3	G327 W397 Y486 Y491	G327-P358 VanDerWaalsContact O-CD 3.25Å; G327-P358 WeakPolarHBondContact O-CD 3.07Å; P358-W397 PolarHBondContact O-NE1 3.28Å; P358-Y486 VanDerWaalsContact C-OH 3.3Å; P358-Y486 PolarHBondContact O-OH 3.46Å; P358-Y491 HydrophobicContact CB-CD1 3.84Å; P358-Y491 HydrophobicContact CB-CD2 4.32Å; P358-Y491 HydrophobicContact CB-CE1 4.45Å; P358-Y491 HydrophobicContact CB-CG 3.78Å; P358-Y491 HydrophobicContact CG-CD1 4.13Å; P358-Y491 HydrophobicContact CG-CD2 3.69Å; P358-Y491 HydrophobicContact CG-CE2 4.22Å; P358-Y491 HydrophobicContact CG-CG 3.65Å
359	T	98.6	Very high	97.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-135.2	170	175.3	70.5	0	0	0	0	110.2	G327 N328 F329 F335 T357 I390 S393 F394	G327-T359 WeakPolarHBondContact CA-O 3.33Å; G327-T359 PolarHBondContact O-N 2.58Å; G327-T359 VanDerWaalsContact O-N 3.14Å; G327-T359 PolarHBondContact O-OG1 3.48Å; N328-T359 VanDerWaalsContact C-OG1 3.24Å; N328-T359 WeakPolarHBondContact CA-OG1 3.3Å; N328-T359 PolarHBondContact N-OG1 2.81Å; N328-T359 VanDerWaalsContact N-OG1 3.09Å; N328-T359 PolarHBondContact O-OG1 3.35Å; F329-T359 HydrophobicContact CB-CG2 4.27Å; F329-T359 HydrophobicContact CD1-CG2 3.84Å; F329-T359 HydrophobicContact CG-CG2 4.48Å; F335-T359 WeakPolarHBondContact CD2-OG1 3.48Å; T357-T359 VanDerWaalsContact C-N 3.27Å; T357-T359 WeakPolarHBondContact CB-O 3.4Å; T357-T359 WeakPolarHBondContact CG2-O 3.46Å; T357-T359 PolarHBondContact O-N 3.28Å; T357-T359 PolarHBondContact OG1-O 3.14Å; T359-I390 HydrophobicContact CG2-CD1 3.91Å; T359-S393 VanDerWaalsContact CA-OG 3.3Å; T359-S393 WeakPolarHBondContact CA-OG 3.05Å; T359-F394 HydrophobicContact CG2-CE1 4.37Å
360	F	97.9	Very high	97.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	13%	0.125	C	C	.	.			trans	-127.6	159.1	172.2	73.5	-27.7	0	0	0	110.7	V299 F335 G362 F365 N389 M392 S393 L403	V299-F360 HydrophobicContact CG1-CE2 4.29Å; F335-F360 WeakPolarHBondContact CD2-O 3.3Å; F335-F360 WeakPolarHBondContact CE2-O 3.42Å; F360-G362 PolarHBondContact O-N 2.87Å; F360-F365 HydrophobicContact CD2-CB 4.07Å; F360-F365 HydrophobicContact CD2-CD1 4.39Å; F360-F365 HydrophobicContact CD2-CG 4.26Å; F360-F365 HydrophobicContact CE2-CB 3.86Å; F360-F365 AromaticContact CE2-CD1 3.55Å; F360-F365 HydrophobicContact CE2-CD1 3.55Å; F360-F365 HydrophobicContact CE2-CD2 4.02Å; F360-F365 AromaticContact CE2-CE1 4Å; F360-F365 HydrophobicContact CE2-CE1 4Å; F360-F365 HydrophobicContact CE2-CE2 4.41Å; F360-F365 AromaticContact CE2-CG 3.55Å; F360-F365 HydrophobicContact CE2-CG 3.55Å; F360-F365 HydrophobicContact CE2-CZ 4.39Å; F360-F365 HydrophobicContact CZ-CD1 4.3Å; F360-F365 HydrophobicContact CZ-CE1 4.31Å; F360-N389 HydrophobicContact CD1-CB 4.23Å; F360-N389 HydrophobicContact CE1-CB 4.01Å; F360-N389 VanDerWaalsContact CE1-O 3.22Å; F360-N389 WeakPolarHBondContact CE1-O 3.32Å; F360-N389 PolarHBondContact O-ND2 3.38Å; F360-N389 VanDerWaalsContact O-ND2 3.13Å; F360-M392 HydrophobicContact CE1-CB 4.16Å; F360-M392 HydrophobicContact CE1-CG 4.4Å; F360-M392 HydrophobicContact CZ-CB 4.31Å; F360-M392 HydrophobicContact CZ-CG 4.16Å; F360-M392 HydrophobicContact CZ-SD 3.9Å; F360-S393 VanDerWaalsContact CD1-OG 3.27Å; F360-S393 WeakPolarHBondContact CD1-OG 3.18Å; F360-S393 PolarHBondContact N-OG 3.03Å; F360-L403 HydrophobicContact CB-CD1 4.31Å; F360-L403 HydrophobicContact CB-CD2 3.87Å; F360-L403 HydrophobicContact CB-CG 4.17Å; F360-L403 HydrophobicContact CD1-CD1 4.37Å; F360-L403 HydrophobicContact CD1-CD2 4.02Å; F360-L403 HydrophobicContact CD2-CD1 4Å; F360-L403 HydrophobicContact CE2-CD1 4.39Å; F360-L403 HydrophobicContact CG-CD1 3.99Å; F360-L403 HydrophobicContact CG-CD2 4.01Å; F360-L403 HydrophobicContact CG-CG 4.33Å
361	A	94.5	Very high	97.4	Very high	28 Å²	28	22 Å²	22	23%	0.231	11%	0.112	C	C	.	.			trans	-62.8	-27.7	177.4	0	0	0	0	0	112.1	I304 F335 W337 G363	I304-A361 HydrophobicContact CD1-CB 3.96Å; F335-A361 HydrophobicContact CE1-CB 3.86Å; F335-A361 HydrophobicContact CE2-CB 4.41Å; F335-A361 HydrophobicContact CZ-CB 3.79Å; W337-A361 HydrophobicContact CH2-CB 4.44Å; W337-A361 HydrophobicContact CZ2-CB 4.09Å; A361-G363 PolarHBondContact O-N 2.9Å
362	G	90.1	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	81.2	-17.5	175.3	0	0	0	0	0	115.2	R259 F360	R259-G362 VanDerWaalsContact CZ-O 3.28Å; R259-G362 PolarHBondContact NH1-O 2.92Å; R259-G362 PolarHBondContact NH2-O 3.02Å; F360-G362 PolarHBondContact O-N 2.87Å
363	G	91.4	Very high	97.6	Very high	12 Å²	12	23.5 Å²	23.5	12%	0.124	11%	0.112	C	C	.	.	S	Bend	trans	-61.8	-48.2	173.2	0	0	0	0	0	113	R259 A361	R259-G363 VanDerWaalsContact NH2-CA 3.32Å; R259-G363 PolarHBondContact NH2-O 3.17Å; A361-G363 PolarHBondContact O-N 2.9Å
364	L	98.5	Very high	97.6	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	-125.4	116.7	-170.6	-67.9	73.6	0	0	0	111	F273 L274 S301 P302 I304 V411	F273-L364 VanDerWaalsContact O-CA 3.31Å; F273-L364 WeakPolarHBondContact O-CA 3.37Å; L274-L364 HydrophobicContact CD2-CB 4.21Å; L274-L364 HydrophobicContact CD2-CD2 3.86Å; L274-L364 HydrophobicContact CD2-CG 3.8Å; S301-L364 WeakPolarHBondContact CB-O 3.3Å; S301-L364 PolarHBondContact OG-O 2.99Å; P302-L364 HydrophobicContact CG-CB 3.85Å; P302-L364 HydrophobicContact CG-CD2 4.14Å; I304-L364 HydrophobicContact CD1-CB 4.18Å; I304-L364 HydrophobicContact CD1-CD1 4.33Å; I304-L364 HydrophobicContact CG1-CB 4.48Å; I304-L364 HydrophobicContact CG1-CD2 4.42Å; L364-V411 HydrophobicContact CD2-CB 3.6Å; L364-V411 HydrophobicContact CD2-CG1 3.35Å; L364-V411 HydrophobicContact CD2-CG2 4.39Å
365	F	98.9	Very high	97.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	160	175.5	69.3	-79.5	0	0	0	112.6	T272 F273 V299 V300 S301 F360 I367 Y378 M392	T272-F365 CarbonylContact C-O 3.56Å; T272-F365 WeakPolarHBondContact CA-O 3.47Å; F273-F365 HydrophobicContact CB-CD1 4.07Å; F273-F365 HydrophobicContact CB-CE1 3.87Å; F273-F365 HydrophobicContact CB-CZ 4.45Å; F273-F365 HydrophobicContact CD2-CD1 4.15Å; F273-F365 HydrophobicContact CD2-CD2 4.17Å; F273-F365 AromaticContact CD2-CE1 3.53Å; F273-F365 HydrophobicContact CD2-CE1 3.53Å; F273-F365 AromaticContact CD2-CE2 3.56Å; F273-F365 HydrophobicContact CD2-CE2 3.56Å; F273-F365 HydrophobicContact CD2-CG 4.45Å; F273-F365 AromaticContact CD2-CZ 3.2Å; F273-F365 HydrophobicContact CD2-CZ 3.2Å; F273-F365 HydrophobicContact CE2-CE1 4.33Å; F273-F365 AromaticContact CE2-CE2 3.85Å; F273-F365 HydrophobicContact CE2-CE2 3.85Å; F273-F365 AromaticContact CE2-CZ 3.59Å; F273-F365 HydrophobicContact CE2-CZ 3.59Å; F273-F365 HydrophobicContact CG-CD1 4.49Å; F273-F365 AromaticContact CG-CE1 3.9Å; F273-F365 HydrophobicContact CG-CE1 3.9Å; F273-F365 HydrophobicContact CG-CZ 4Å; F273-F365 PolarHBondContact N-O 3.16Å; F273-F365 PolarHBondContact O-N 2.8Å; F273-F365 VanDerWaalsContact O-N 3.17Å; V299-F365 HydrophobicContact CG1-CD2 3.72Å; V299-F365 HydrophobicContact CG1-CE2 4.27Å; V299-F365 HydrophobicContact CG1-CG 4.47Å; V300-F365 CarbonylContact O-C 3.54Å; V300-F365 VanDerWaalsContact O-CA 3.27Å; V300-F365 WeakPolarHBondContact O-CA 3.46Å; V300-F365 WeakPolarHBondContact O-CB 3.18Å; S301-F365 WeakPolarHBondContact OG-CB 3.41Å; F360-F365 HydrophobicContact CD2-CB 4.07Å; F360-F365 HydrophobicContact CD2-CD1 4.39Å; F360-F365 HydrophobicContact CD2-CG 4.26Å; F360-F365 HydrophobicContact CE2-CB 3.86Å; F360-F365 AromaticContact CE2-CD1 3.55Å; F360-F365 HydrophobicContact CE2-CD1 3.55Å; F360-F365 HydrophobicContact CE2-CD2 4.02Å; F360-F365 AromaticContact CE2-CE1 4Å; F360-F365 HydrophobicContact CE2-CE1 4Å; F360-F365 HydrophobicContact CE2-CE2 4.41Å; F360-F365 AromaticContact CE2-CG 3.55Å; F360-F365 HydrophobicContact CE2-CG 3.55Å; F360-F365 HydrophobicContact CE2-CZ 4.39Å; F360-F365 HydrophobicContact CZ-CD1 4.3Å; F360-F365 HydrophobicContact CZ-CE1 4.31Å; F365-I367 HydrophobicContact CD2-CB 4.27Å; F365-I367 HydrophobicContact CD2-CG2 4.25Å; F365-I367 HydrophobicContact CE2-CB 4.19Å; F365-I367 HydrophobicContact CE2-CG2 3.78Å; F365-Y378 WeakPolarHBondContact CE1-OH 3.45Å; F365-Y378 WeakPolarHBondContact CZ-OH 3.15Å; F365-M392 HydrophobicContact CE2-CE 3.84Å; F365-M392 HydrophobicContact CE2-SD 4.38Å; F365-M392 HydrophobicContact CZ-CE 4.2Å; F365-M392 HydrophobicContact CZ-SD 4.18Å
366	S	98.9	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.1	169.4	-60.2	0	0	0	0	111.2	L271 T272 V300	L271-S366 CarbonylContact O-C 3.5Å; L271-S366 VanDerWaalsContact O-CA 3.24Å; L271-S366 WeakPolarHBondContact O-CA 3.22Å; T272-S366 WeakPolarHBondContact CB-OG 3.45Å; T272-S366 WeakPolarHBondContact CG2-OG 3.5Å; T272-S366 PolarHBondContact OG1-OG 2.85Å; V300-S366 PolarHBondContact N-O 3.5Å; V300-S366 PolarHBondContact O-N 3.19Å
367	I	98.9	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	146.4	178	-171.4	170.2	0	0	0	110.1	T270 L271 F273 V299 F365 K369 Y371 F372 M392	T270-I367 CarbonylContact C-O 3.56Å; T270-I367 VanDerWaalsContact CA-O 3.31Å; T270-I367 WeakPolarHBondContact CA-O 3.45Å; T270-I367 WeakPolarHBondContact CB-O 3.29Å; L271-I367 HydrophobicContact CB-CG2 4.13Å; L271-I367 PolarHBondContact N-O 2.73Å; L271-I367 PolarHBondContact O-N 3.48Å; F273-I367 HydrophobicContact CE2-CG2 4.3Å; V299-I367 HydrophobicContact CG1-CB 4.47Å; V299-I367 HydrophobicContact CG1-CD1 4.41Å; V299-I367 HydrophobicContact CG2-CD1 3.52Å; V299-I367 HydrophobicContact CG2-CG1 3.92Å; F365-I367 HydrophobicContact CD2-CB 4.27Å; F365-I367 HydrophobicContact CD2-CG2 4.25Å; F365-I367 HydrophobicContact CE2-CB 4.19Å; F365-I367 HydrophobicContact CE2-CG2 3.78Å; I367-K369 PolarHBondContact O-N 2.69Å; I367-Y371 HydrophobicContact CD1-CD1 3.93Å; I367-Y371 HydrophobicContact CG1-CD1 4.05Å; I367-F372 HydrophobicContact CD1-CB 3.98Å; I367-F372 HydrophobicContact CD1-CD2 4.2Å; I367-F372 HydrophobicContact CG1-CB 4.28Å; I367-F372 HydrophobicContact CG2-CB 3.95Å; I367-F372 HydrophobicContact CG2-CD2 4.08Å; I367-F372 HydrophobicContact CG2-CG 4.32Å; I367-M392 HydrophobicContact CD1-CE 3.66Å
368	S	98.9	Very high	97.6	Very high	11 Å²	11	21.2 Å²	21.2	8%	0.077	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	131.2	166.8	164.2	0	0	0	0	110	E370 Y371 F372	S368-E370 VanDerWaalsContact C-N 3.28Å; S368-E370 PolarHBondContact O-N 2.82Å; S368-E370 PolarHBondContact OG-N 2.79Å; S368-Y371 PolarHBondContact O-N 2.72Å; S368-Y371 PolarHBondContact OG-N 2.7Å; S368-F372 WeakPolarHBondContact O-CB 3.43Å; S368-F372 PolarHBondContact O-N 3.24Å
369	K	98.8	Very high	97.5	Very high	56 Å²	56	21.4 Å²	21.4	24%	0.243	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-42.3	178.3	-178.2	-177.9	175.1	-168.6	0	110.9	A266 D269 L271 I367 F372 Y373	A266-K369 PolarHBondContact O-NZ 2.94Å; D269-K369 WeakPolarHBondContact O-CB 3.46Å; D269-K369 PolarHBondContact O-N 3.43Å; L271-K369 HydrophobicContact CD1-CB 4.47Å; L271-K369 HydrophobicContact CD1-CG 4.28Å; L271-K369 HydrophobicContact CD2-CB 4.16Å; L271-K369 HydrophobicContact CD2-CD 4.25Å; L271-K369 HydrophobicContact CD2-CG 4.04Å; L271-K369 HydrophobicContact CG-CB 3.98Å; L271-K369 HydrophobicContact CG-CG 4.15Å; I367-K369 PolarHBondContact O-N 2.69Å; K369-F372 WeakPolarHBondContact O-CB 3.26Å; K369-F372 PolarHBondContact O-N 2.71Å; K369-Y373 HydrophobicContact CG-CD2 4.12Å; K369-Y373 HydrophobicContact CG-CE2 3.88Å; K369-Y373 WeakPolarHBondContact O-CD2 3.18Å; K369-Y373 PolarHBondContact O-N 2.76Å
370	E	98.5	Very high	97.4	Very high	112 Å²	112	26.2 Å²	26.2	52%	0.523	13%	0.133	S	C	.	.	H	α-helix	trans	-60.1	-49.1	175.5	-173.4	-174.5	165.6	0	0	110.9	S368 F372 Y373 H374	S368-E370 VanDerWaalsContact C-N 3.28Å; S368-E370 PolarHBondContact O-N 2.82Å; S368-E370 PolarHBondContact OG-N 2.79Å; E370-F372 VanDerWaalsContact C-N 3.35Å; E370-F372 PolarHBondContact O-N 3.02Å; E370-Y373 PolarHBondContact O-N 3.41Å; E370-H374 WeakPolarHBondContact O-CB 3.25Å; E370-H374 PolarHBondContact O-N 3.11Å
371	Y	98.7	Very high	97.3	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-37.8	179.1	-171.8	-119.1	0	0	0	112.5	Y296 T297 V299 I367 S368 Y373 H374 I375 G401	Y296-Y371 HydrophobicContact CE2-CD2 4.2Å; Y296-Y371 WeakPolarHBondContact O-CB 3.12Å; T297-Y371 HydrophobicContact CG2-CD2 3.98Å; T297-Y371 HydrophobicContact CG2-CE2 3.75Å; T297-Y371 VanDerWaalsContact O-CE1 3.28Å; T297-Y371 WeakPolarHBondContact O-CE1 3.09Å; V299-Y371 HydrophobicContact CG2-CD1 4.41Å; V299-Y371 HydrophobicContact CG2-CE1 4.11Å; I367-Y371 HydrophobicContact CD1-CD1 3.93Å; I367-Y371 HydrophobicContact CG1-CD1 4.05Å; S368-Y371 PolarHBondContact O-N 2.72Å; S368-Y371 PolarHBondContact OG-N 2.7Å; Y371-Y373 VanDerWaalsContact C-N 3.33Å; Y371-Y373 PolarHBondContact O-N 3.39Å; Y371-H374 PolarHBondContact O-N 3.13Å; Y371-I375 HydrophobicContact CE2-CB 4.35Å; Y371-I375 HydrophobicContact CE2-CD1 4.31Å; Y371-I375 WeakPolarHBondContact O-CB 3.4Å; Y371-I375 VanDerWaalsContact O-CG2 3.25Å; Y371-I375 WeakPolarHBondContact O-CG2 3.41Å; Y371-I375 PolarHBondContact O-N 3.27Å; Y371-G401 WeakPolarHBondContact OH-CA 3.39Å; Y371-G401 PolarHBondContact OH-N 3.4Å
372	F	98.8	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.8	-46	175.1	177.8	-104.7	0	0	0	111.6	L260 A263 L271 F273 I367 S368 K369 E370 S377 Y378 M392	L260-F372 HydrophobicContact CD2-CE1 4.22Å; L260-F372 HydrophobicContact CD2-CZ 4.05Å; A263-F372 HydrophobicContact CB-CD1 4.45Å; A263-F372 HydrophobicContact CB-CE1 3.83Å; L271-F372 HydrophobicContact CD1-CB 4.18Å; L271-F372 HydrophobicContact CD1-CD1 3.67Å; L271-F372 HydrophobicContact CD1-CE1 4.16Å; L271-F372 HydrophobicContact CD1-CG 3.92Å; F273-F372 HydrophobicContact CE2-CE2 4.5Å; F273-F372 HydrophobicContact CZ-CE2 4.48Å; F273-F372 HydrophobicContact CZ-CZ 4.41Å; I367-F372 HydrophobicContact CD1-CB 3.98Å; I367-F372 HydrophobicContact CD1-CD2 4.2Å; I367-F372 HydrophobicContact CG1-CB 4.28Å; I367-F372 HydrophobicContact CG2-CB 3.95Å; I367-F372 HydrophobicContact CG2-CD2 4.08Å; I367-F372 HydrophobicContact CG2-CG 4.32Å; S368-F372 WeakPolarHBondContact O-CB 3.43Å; S368-F372 PolarHBondContact O-N 3.24Å; K369-F372 WeakPolarHBondContact O-CB 3.26Å; K369-F372 PolarHBondContact O-N 2.71Å; E370-F372 VanDerWaalsContact C-N 3.35Å; E370-F372 PolarHBondContact O-N 3.02Å; F372-S377 VanDerWaalsContact CZ-CB 3.49Å; F372-S377 WeakPolarHBondContact O-CA 3.4Å; F372-S377 PolarHBondContact O-N 3.36Å; F372-Y378 HydrophobicContact CE2-CD2 4.1Å; F372-Y378 HydrophobicContact CE2-CE2 4.05Å; F372-Y378 AromaticContact CZ-CD2 3.96Å; F372-Y378 HydrophobicContact CZ-CD2 3.96Å; F372-Y378 HydrophobicContact CZ-CE2 4.22Å; F372-M392 HydrophobicContact CD2-CE 4.27Å
373	Y	98.6	Very high	97.4	Very high	98 Å²	98	33 Å²	33	38%	0.384	16%	0.158	S	C	.	.	H	α-helix	trans	-74	-38.6	175.7	-73	-68.1	0	0	0	113	A263 S264 K369 E370 Y371 I375 G376	A263-Y373 PolarHBondContact O-OH 3.39Å; A263-Y373 VanDerWaalsContact O-OH 3.13Å; S264-Y373 WeakPolarHBondContact CA-OH 3.14Å; S264-Y373 PolarHBondContact N-OH 3.18Å; K369-Y373 HydrophobicContact CG-CD2 4.12Å; K369-Y373 HydrophobicContact CG-CE2 3.88Å; K369-Y373 WeakPolarHBondContact O-CD2 3.18Å; K369-Y373 PolarHBondContact O-N 2.76Å; E370-Y373 PolarHBondContact O-N 3.41Å; Y371-Y373 VanDerWaalsContact C-N 3.33Å; Y371-Y373 PolarHBondContact O-N 3.39Å; Y373-I375 VanDerWaalsContact C-N 3.32Å; Y373-I375 PolarHBondContact O-N 3.44Å; Y373-G376 PolarHBondContact O-N 3.41Å
374	H	98.3	Very high	97.3	Very high	82 Å²	82	33.4 Å²	33.4	38%	0.38	16%	0.157	S	C	.	.	H	α-helix	trans	-57.4	-45.8	177.2	177.8	79.2	0	0	0	111.9	E370 Y371 G376	E370-H374 WeakPolarHBondContact O-CB 3.25Å; E370-H374 PolarHBondContact O-N 3.11Å; Y371-H374 PolarHBondContact O-N 3.13Å; H374-G376 PolarHBondContact O-N 2.84Å
375	I	98	Very high	96.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7.5	179.1	-150.9	65.5	0	0	0	112.3	Y371 Y373 R395 C399 L478	Y371-I375 HydrophobicContact CE2-CB 4.35Å; Y371-I375 HydrophobicContact CE2-CD1 4.31Å; Y371-I375 WeakPolarHBondContact O-CB 3.4Å; Y371-I375 VanDerWaalsContact O-CG2 3.25Å; Y371-I375 WeakPolarHBondContact O-CG2 3.41Å; Y371-I375 PolarHBondContact O-N 3.27Å; Y373-I375 VanDerWaalsContact C-N 3.32Å; Y373-I375 PolarHBondContact O-N 3.44Å; I375-R395 HydrophobicContact CG1-CG 4.13Å; I375-R395 WeakPolarHBondContact O-CD 3.35Å; I375-R395 PolarHBondContact O-NH1 3.08Å; I375-C399 HydrophobicContact CD1-CB 3.42Å; I375-C399 VanDerWaalsContact CD1-CB 3.42Å; I375-L478 HydrophobicContact CD1-CD1 3.74Å
376	G	97.9	Very high	96.5	Very high	11 Å²	11	39.5 Å²	39.5	11%	0.113	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	34.1	173.7	0	0	0	0	0	115	Y373 H374 Y378 R471	Y373-G376 PolarHBondContact O-N 3.41Å; H374-G376 PolarHBondContact O-N 2.84Å; G376-Y378 PolarHBondContact O-N 3.28Å; G376-Y378 VanDerWaalsContact O-N 3.17Å; G376-R471 PolarHBondContact O-NH1 3.38Å
377	S	98.1	Very high	96.3	Very high	22 Å²	22	39.9 Å²	39.9	15%	0.154	18%	0.183	C	C	.	.			trans	45.2	-111.3	170.6	61.5	0	0	0	0	113.9	F372 R395	F372-S377 VanDerWaalsContact CZ-CB 3.49Å; F372-S377 WeakPolarHBondContact O-CA 3.4Å; F372-S377 PolarHBondContact O-N 3.36Å; S377-R395 PolarHBondContact O-NH1 2.99Å; S377-R395 PolarHBondContact O-NH2 2.86Å
378	Y	98.3	Very high	96.2	Very high	3 Å²	3	40 Å²	40	1%	0.012	18%	0.184	C	C	.	.	S	Bend	trans	-122.9	161.9	170.5	-78.1	-68.6	0	0	0	110.2	I256 R259 L260 F365 F372 G376 E380 E388 M392 R471	I256-Y378 HydrophobicContact CG2-CD2 4.37Å; I256-Y378 HydrophobicContact CG2-CG 3.96Å; R259-Y378 HydrophobicContact CB-CE2 4.31Å; R259-Y378 PolarHBondContact NH1-OH 3.33Å; L260-Y378 HydrophobicContact CD2-CD2 4.34Å; F365-Y378 WeakPolarHBondContact CE1-OH 3.45Å; F365-Y378 WeakPolarHBondContact CZ-OH 3.15Å; F372-Y378 HydrophobicContact CE2-CD2 4.1Å; F372-Y378 HydrophobicContact CE2-CE2 4.05Å; F372-Y378 AromaticContact CZ-CD2 3.96Å; F372-Y378 HydrophobicContact CZ-CD2 3.96Å; F372-Y378 HydrophobicContact CZ-CE2 4.22Å; G376-Y378 PolarHBondContact O-N 3.28Å; G376-Y378 VanDerWaalsContact O-N 3.17Å; Y378-E380 PolarHBondContact O-N 3.23Å; Y378-E380 VanDerWaalsContact O-N 3.09Å; Y378-E388 HydrophobicContact CD1-CB 4.09Å; Y378-E388 HydrophobicContact CD1-CG 4.34Å; Y378-E388 HydrophobicContact CE1-CB 4.01Å; Y378-E388 HydrophobicContact CE1-CG 3.83Å; Y378-M392 HydrophobicContact CD1-SD 4.49Å; Y378-M392 HydrophobicContact CE1-CB 4.3Å; Y378-M392 HydrophobicContact CE1-SD 3.75Å; Y378-R471 PolarHBondContact O-NH1 2.89Å
379	D	98	Very high	96.2	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	18%	0.183	C	C	.	.			trans	-70.3	100.6	165.4	-178.4	7.5	0	0	0	110.3	K381 M382 R436 R471	D379-K381 PolarHBondContact O-N 2.68Å; D379-K381 PolarHBondContact OD1-N 3.35Å; D379-M382 HydrophobicContact CB-CE 4.48Å; D379-M382 HydrophobicContact CB-CG 4.02Å; D379-M382 HydrophobicContact CB-SD 4.27Å; D379-M382 WeakPolarHBondContact O-CB 3.3Å; D379-M382 PolarHBondContact O-N 2.82Å; D379-R436 VanDerWaalsContact CG-NH2 3.34Å; D379-R436 IonicContact OD1-CZ 3.67Å; D379-R436 IonicContact OD1-NE 3.96Å; D379-R436 IonicContact OD1-NH2 3.55Å; D379-R436 PolarHBondContact OD1-NH2 3.21Å; D379-R436 IonicContact OD2-CZ 3.56Å; D379-R436 IonicContact OD2-NE 3.35Å; D379-R436 PolarHBondContact OD2-NE 2.66Å; D379-R436 IonicContact OD2-NH2 2.71Å; D379-R436 PolarHBondContact OD2-NH2 3.14Å; D379-R471 HydrophobicContact CB-CG 4.37Å
380	E	95	Very high	96.2	Very high	102 Å²	102	37.5 Å²	37.5	48%	0.477	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-9.8	-179.8	59.4	-179.3	-172.2	0	0	115.1	L260 Y378 K470	L260-E380 HydrophobicContact CD1-CB 4.27Å; Y378-E380 PolarHBondContact O-N 3.23Å; Y378-E380 VanDerWaalsContact O-N 3.09Å; E380-K470 IonicContact OE1-NZ 3.67Å; E380-K470 PolarHBondContact OE1-NZ 3.24Å
381	K	95.9	Very high	96.2	Very high	118 Å²	118	32.2 Å²	32.2	51%	0.513	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.4	177.4	-62.1	-61.8	-174.8	-177.6	0	113.7	D379 R432 R436	D379-K381 PolarHBondContact O-N 2.68Å; D379-K381 PolarHBondContact OD1-N 3.35Å; K381-R432 PolarHBondContact O-NH1 3.19Å; K381-R432 PolarHBondContact O-NH2 3.08Å; K381-R432 VanDerWaalsContact O-NH2 3.13Å; K381-R436 VanDerWaalsContact CB-CZ 3.46Å
382	M	95.6	Very high	96.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	15%	0.147	C	C	.	.			trans	-72.6	140	165	-72.3	-176.4	170.5	0	0	109.6	I256 D379 E388 E391 N433 L437	I256-M382 HydrophobicContact CD1-CB 3.22Å; I256-M382 HydrophobicContact CD1-CG 4.24Å; I256-M382 HydrophobicContact CD1-SD 4.07Å; D379-M382 HydrophobicContact CB-CE 4.48Å; D379-M382 HydrophobicContact CB-CG 4.02Å; D379-M382 HydrophobicContact CB-SD 4.27Å; D379-M382 WeakPolarHBondContact O-CB 3.3Å; D379-M382 PolarHBondContact O-N 2.82Å; M382-E388 HydrophobicContact SD-CB 3.98Å; M382-E391 HydrophobicContact CE-CB 3.76Å; M382-E391 HydrophobicContact CE-CG 3.8Å; M382-N433 VanDerWaalsContact CA-OD1 3.25Å; M382-N433 WeakPolarHBondContact CA-OD1 3.19Å; M382-N433 HydrophobicContact CB-CB 4.43Å; M382-N433 HydrophobicContact CE-CB 4.35Å; M382-N433 WeakPolarHBondContact CE-O 3.48Å; M382-N433 HydrophobicContact CG-CB 4.01Å; M382-N433 HydrophobicContact SD-CB 4.26Å; M382-L437 HydrophobicContact CE-CB 4.05Å
383	E	90.9	Very high	96.2	Very high	53 Å²	53	32.1 Å²	32.1	25%	0.248	15%	0.147	C	C	.	.			trans	-114.8	148.6	-171.6	-65.3	170.8	124.1	0	0	111.3	W385 K425 V429 R432 N433	E383-W385 PolarHBondContact O-N 2.72Å; E383-K425 IonicContact OE1-NZ 2.76Å; E383-K425 PolarHBondContact OE1-NZ 2.86Å; E383-V429 HydrophobicContact CB-CG1 3.66Å; E383-V429 WeakPolarHBondContact O-CG1 3.4Å; E383-R432 VanDerWaalsContact CD-NH1 3.26Å; E383-R432 IonicContact OE2-CZ 2.73Å; E383-R432 IonicContact OE2-NE 2.99Å; E383-R432 IonicContact OE2-NH1 3.85Å; E383-R432 PolarHBondContact OE2-NH1 3.47Å; E383-N433 PolarHBondContact N-OD1 3.47Å; E383-N433 PolarHBondContact O-ND2 3.47Å
384	I	89.6	Confident	96.2	Very high	19 Å²	19	27.4 Å²	27.4	10%	0.097	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	58.5	-83.8	174	-52.1	-53.8	0	0	0	113.8	G254 L255 F423 V429	G254-I384 CarbonylContact C-O 3.56Å; G254-I384 WeakPolarHBondContact CA-O 3.46Å; L255-I384 PolarHBondContact N-O 2.91Å; I384-F423 HydrophobicContact CB-CD1 4.49Å; I384-F423 HydrophobicContact CG2-CD1 3.91Å; I384-F423 HydrophobicContact CG2-CE1 3.91Å; I384-V429 HydrophobicContact CB-CG1 4.18Å; I384-V429 HydrophobicContact CG1-CG1 4.32Å
385	W	91.3	Very high	96.2	Very high	131 Å²	131	23.5 Å²	23.5	50%	0.496	11%	0.11	S	C	.	.	S	Bend	trans	-164.9	152.8	-174.6	178.5	82.3	0	0	0	109.9	E383 I430 N433	E383-W385 PolarHBondContact O-N 2.72Å; W385-I430 HydrophobicContact CE3-CD1 4.33Å; W385-I430 HydrophobicContact CZ3-CD1 4.27Å; W385-N433 PolarHBondContact O-ND2 2.71Å
386	G	90.1	Very high	96.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	11%	0.11	C	C	.	.	S	Bend	trans	111.7	137.9	166.9	0	0	0	0	0	112.3	E388 N433	G386-E388 WeakPolarHBondContact CA-OE2 3.41Å; G386-E388 PolarHBondContact N-OE2 3.29Å; G386-E388 PolarHBondContact O-N 3.39Å; G386-E388 VanDerWaalsContact O-N 3.16Å; G386-N433 VanDerWaalsContact O-CB 3.25Å; G386-N433 WeakPolarHBondContact O-CB 3.26Å; G386-N433 PolarHBondContact O-ND2 3.1Å; G386-N433 VanDerWaalsContact O-ND2 3.1Å
387	A	94.4	Very high	96.3	Very high	8 Å²	8	23.9 Å²	23.9	7%	0.066	11%	0.108	C	C	.	.	S	Bend	trans	69.3	-6.4	175.8	0	0	0	0	0	115.9	N389 I390 E391 N433 Q434 L437	A387-N389 PolarHBondContact O-N 2.91Å; A387-I390 PolarHBondContact O-N 2.87Å; A387-E391 WeakPolarHBondContact O-CB 3.29Å; A387-E391 PolarHBondContact O-N 3.35Å; A387-N433 HydrophobicContact CB-CB 4.15Å; A387-Q434 HydrophobicContact CB-CB 4.44Å; A387-Q434 HydrophobicContact CB-CG 3.59Å; A387-L437 HydrophobicContact CB-CD2 3.55Å; A387-L437 VanDerWaalsContact O-CD2 3.26Å; A387-L437 WeakPolarHBondContact O-CD2 3.02Å
388	E	97.1	Very high	96.3	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-65.5	-31.2	176.5	81.5	-68.5	169	0	0	112.3	I256 Y378 M382 G386 M392	I256-E388 HydrophobicContact CD1-CB 3.67Å; I256-E388 HydrophobicContact CD1-CG 4.22Å; I256-E388 HydrophobicContact CG1-CB 3.92Å; I256-E388 HydrophobicContact CG1-CG 3.98Å; Y378-E388 HydrophobicContact CD1-CB 4.09Å; Y378-E388 HydrophobicContact CD1-CG 4.34Å; Y378-E388 HydrophobicContact CE1-CB 4.01Å; Y378-E388 HydrophobicContact CE1-CG 3.83Å; M382-E388 HydrophobicContact SD-CB 3.98Å; G386-E388 WeakPolarHBondContact CA-OE2 3.41Å; G386-E388 PolarHBondContact N-OE2 3.29Å; G386-E388 PolarHBondContact O-N 3.39Å; G386-E388 VanDerWaalsContact O-N 3.16Å; E388-M392 VanDerWaalsContact O-CB 3.26Å; E388-M392 WeakPolarHBondContact O-CB 3.49Å; E388-M392 PolarHBondContact O-N 3.46Å
389	N	97.8	Very high	96.3	Very high	12 Å²	12	23.3 Å²	23.3	6%	0.064	11%	0.105	C	C	.	.	H	α-helix	trans	-68.4	-41.6	175.5	66.5	-48.6	0	0	0	111.2	F360 A387 S393	F360-N389 HydrophobicContact CD1-CB 4.23Å; F360-N389 HydrophobicContact CE1-CB 4.01Å; F360-N389 VanDerWaalsContact CE1-O 3.22Å; F360-N389 WeakPolarHBondContact CE1-O 3.32Å; F360-N389 PolarHBondContact O-ND2 3.38Å; F360-N389 VanDerWaalsContact O-ND2 3.13Å; A387-N389 PolarHBondContact O-N 2.91Å; N389-S393 WeakPolarHBondContact O-CB 3.49Å; N389-S393 PolarHBondContact O-N 3.01Å; N389-S393 PolarHBondContact O-OG 3.27Å
390	I	98.5	Very high	96.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-69.7	-43.6	175.9	-55.9	-55.7	0	0	0	110.8	F329 F335 T359 A387 M392 S393 F394 L437	F329-I390 HydrophobicContact CB-CD1 4.07Å; F335-I390 HydrophobicContact CB-CD1 4.12Å; F335-I390 HydrophobicContact CD2-CD1 4.29Å; T359-I390 HydrophobicContact CG2-CD1 3.91Å; A387-I390 PolarHBondContact O-N 2.87Å; I390-M392 PolarHBondContact O-N 3.28Å; I390-S393 WeakPolarHBondContact O-CB 3.42Å; I390-S393 PolarHBondContact O-N 2.92Å; I390-F394 HydrophobicContact CG2-CD1 4.43Å; I390-F394 HydrophobicContact CG2-CD2 4.09Å; I390-F394 HydrophobicContact CG2-CE1 3.92Å; I390-F394 HydrophobicContact CG2-CE2 3.53Å; I390-F394 HydrophobicContact CG2-CZ 3.43Å; I390-F394 VanDerWaalsContact CG2-CZ 3.43Å; I390-F394 WeakPolarHBondContact O-CG 3.26Å; I390-F394 PolarHBondContact O-N 3.4Å; I390-L437 HydrophobicContact CB-CD2 4.06Å; I390-L437 HydrophobicContact CG2-CD1 4.39Å; I390-L437 HydrophobicContact CG2-CD2 4.17Å
391	E	98.8	Very high	96.5	Very high	2 Å²	2	20 Å²	20	1%	0.009	10%	0.1	C	C	.	.	H	α-helix	trans	-57.3	-48.4	176	-171.6	-82.6	165.6	0	0	111.6	M382 A387 S393 F394 R395 L437 W441 R471	M382-E391 HydrophobicContact CE-CB 3.76Å; M382-E391 HydrophobicContact CE-CG 3.8Å; A387-E391 WeakPolarHBondContact O-CB 3.29Å; A387-E391 PolarHBondContact O-N 3.35Å; E391-S393 VanDerWaalsContact C-N 3.32Å; E391-S393 PolarHBondContact O-N 2.9Å; E391-F394 PolarHBondContact O-N 3.49Å; E391-R395 VanDerWaalsContact O-CB 3.25Å; E391-R395 WeakPolarHBondContact O-CB 3.4Å; E391-R395 PolarHBondContact O-N 3.34Å; E391-R395 IonicContact OE1-CZ 2.69Å; E391-R395 IonicContact OE1-NE 3.15Å; E391-R395 PolarHBondContact OE1-NE 3.49Å; E391-R395 VanDerWaalsContact OE1-NE 3.11Å; E391-R395 IonicContact OE1-NH2 3.81Å; E391-R395 IonicContact OE2-CZ 2.73Å; E391-R395 IonicContact OE2-NE 3.43Å; E391-R395 PolarHBondContact OE2-NE 2.96Å; E391-R395 VanDerWaalsContact OE2-NE 3.13Å; E391-R395 IonicContact OE2-NH2 3.65Å; E391-R395 PolarHBondContact OE2-NH2 3.32Å; E391-L437 HydrophobicContact CB-CB 3.7Å; E391-L437 HydrophobicContact CB-CD2 4.13Å; E391-L437 HydrophobicContact CG-CB 3.77Å; E391-W441 PolarHBondContact OE1-NE1 3.16Å; E391-R471 IonicContact OE1-CZ 2.68Å; E391-R471 IonicContact OE1-NE 3.57Å; E391-R471 IonicContact OE1-NH2 3.96Å; E391-R471 PolarHBondContact OE1-NH2 2.79Å; E391-R471 IonicContact OE2-NH2 3.62Å
392	M	98.8	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67	-35.9	179.3	-174.5	166.8	179.6	0	0	111.3	V299 F360 F365 I367 F372 Y378 E388 I390 R395 V396	V299-M392 HydrophobicContact CG1-CE 4.3Å; F360-M392 HydrophobicContact CE1-CB 4.16Å; F360-M392 HydrophobicContact CE1-CG 4.4Å; F360-M392 HydrophobicContact CZ-CB 4.31Å; F360-M392 HydrophobicContact CZ-CG 4.16Å; F360-M392 HydrophobicContact CZ-SD 3.9Å; F365-M392 HydrophobicContact CE2-CE 3.84Å; F365-M392 HydrophobicContact CE2-SD 4.38Å; F365-M392 HydrophobicContact CZ-CE 4.2Å; F365-M392 HydrophobicContact CZ-SD 4.18Å; I367-M392 HydrophobicContact CD1-CE 3.66Å; F372-M392 HydrophobicContact CD2-CE 4.27Å; Y378-M392 HydrophobicContact CD1-SD 4.49Å; Y378-M392 HydrophobicContact CE1-CB 4.3Å; Y378-M392 HydrophobicContact CE1-SD 3.75Å; E388-M392 VanDerWaalsContact O-CB 3.26Å; E388-M392 WeakPolarHBondContact O-CB 3.49Å; E388-M392 PolarHBondContact O-N 3.46Å; I390-M392 PolarHBondContact O-N 3.28Å; M392-R395 PolarHBondContact O-N 2.95Å; M392-V396 HydrophobicContact CE-CG2 4.43Å; M392-V396 HydrophobicContact CG-CG2 4.03Å; M392-V396 VanDerWaalsContact O-CB 3.3Å; M392-V396 WeakPolarHBondContact O-CB 3.47Å; M392-V396 WeakPolarHBondContact O-CG2 3.22Å; M392-V396 PolarHBondContact O-N 3.38Å
393	S	98.9	Very high	96.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-51.8	176	-60.5	0	0	0	0	111.8	T359 F360 N389 I390 E391 V396 W397 L403	T359-S393 VanDerWaalsContact CA-OG 3.3Å; T359-S393 WeakPolarHBondContact CA-OG 3.05Å; F360-S393 VanDerWaalsContact CD1-OG 3.27Å; F360-S393 WeakPolarHBondContact CD1-OG 3.18Å; F360-S393 PolarHBondContact N-OG 3.03Å; N389-S393 WeakPolarHBondContact O-CB 3.49Å; N389-S393 PolarHBondContact O-N 3.01Å; N389-S393 PolarHBondContact O-OG 3.27Å; I390-S393 WeakPolarHBondContact O-CB 3.42Å; I390-S393 PolarHBondContact O-N 2.92Å; E391-S393 VanDerWaalsContact C-N 3.32Å; E391-S393 PolarHBondContact O-N 2.9Å; S393-V396 PolarHBondContact O-N 2.9Å; S393-W397 PolarHBondContact O-N 3.1Å; S393-W397 VanDerWaalsContact O-N 3.16Å; S393-L403 WeakPolarHBondContact OG-CD2 3.28Å
394	F	98.8	Very high	97.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-48.2	178.8	-67.8	-9.6	0	0	0	111.1	F329 L333 T359 I390 E391 W397 Q398 L437 W441 M442 F483 Y486	F329-F394 AromaticContact CD1-CE1 3.8Å; F329-F394 HydrophobicContact CD1-CE1 3.8Å; F329-F394 AromaticContact CD1-CZ 3.94Å; F329-F394 HydrophobicContact CD1-CZ 3.94Å; F329-F394 HydrophobicContact CD2-CZ 4.03Å; F329-F394 AromaticContact CE1-CE1 3.69Å; F329-F394 HydrophobicContact CE1-CE1 3.69Å; F329-F394 AromaticContact CE1-CZ 3.85Å; F329-F394 HydrophobicContact CE1-CZ 3.85Å; F329-F394 AromaticContact CE2-CZ 3.97Å; F329-F394 HydrophobicContact CE2-CZ 3.97Å; F329-F394 HydrophobicContact CG-CE1 4.33Å; F329-F394 HydrophobicContact CG-CZ 4.05Å; F329-F394 HydrophobicContact CZ-CE1 4.15Å; F329-F394 AromaticContact CZ-CZ 3.89Å; F329-F394 HydrophobicContact CZ-CZ 3.89Å; L333-F394 HydrophobicContact CD2-CE2 4.41Å; T359-F394 HydrophobicContact CG2-CE1 4.37Å; I390-F394 HydrophobicContact CG2-CD1 4.43Å; I390-F394 HydrophobicContact CG2-CD2 4.09Å; I390-F394 HydrophobicContact CG2-CE1 3.92Å; I390-F394 HydrophobicContact CG2-CE2 3.53Å; I390-F394 HydrophobicContact CG2-CZ 3.43Å; I390-F394 VanDerWaalsContact CG2-CZ 3.43Å; I390-F394 WeakPolarHBondContact O-CG 3.26Å; I390-F394 PolarHBondContact O-N 3.4Å; E391-F394 PolarHBondContact O-N 3.49Å; F394-W397 PolarHBondContact O-N 2.97Å; F394-Q398 VanDerWaalsContact O-CB 3.22Å; F394-Q398 WeakPolarHBondContact O-CB 3.45Å; F394-Q398 VanDerWaalsContact O-CG 3.26Å; F394-Q398 WeakPolarHBondContact O-CG 3.42Å; F394-Q398 PolarHBondContact O-N 2.86Å; F394-Q398 PolarHBondContact O-OE1 3.38Å; F394-L437 HydrophobicContact CD2-CD1 4.09Å; F394-L437 HydrophobicContact CE2-CD1 3.89Å; F394-W441 HydrophobicContact CB-CB 4.07Å; F394-W441 HydrophobicContact CB-CG 4.31Å; F394-W441 HydrophobicContact CD2-CB 4.16Å; F394-M442 HydrophobicContact CD2-CG 4.33Å; F394-M442 HydrophobicContact CE2-CG 3.96Å; F394-M442 HydrophobicContact CE2-SD 4.28Å; F394-F483 AromaticContact CD1-CE2 3.97Å; F394-F483 HydrophobicContact CD1-CE2 3.97Å; F394-F483 AromaticContact CD2-CE2 3.74Å; F394-F483 HydrophobicContact CD2-CE2 3.74Å; F394-F483 AromaticContact CE1-CE2 3.86Å; F394-F483 HydrophobicContact CE1-CE2 3.86Å; F394-F483 HydrophobicContact CE1-CZ 4.17Å; F394-F483 AromaticContact CE2-CE2 3.61Å; F394-F483 HydrophobicContact CE2-CE2 3.61Å; F394-F483 AromaticContact CE2-CZ 3.95Å; F394-F483 HydrophobicContact CE2-CZ 3.95Å; F394-F483 AromaticContact CG-CE2 3.92Å; F394-F483 HydrophobicContact CG-CE2 3.92Å; F394-F483 AromaticContact CZ-CE2 3.68Å; F394-F483 HydrophobicContact CZ-CE2 3.68Å; F394-F483 AromaticContact CZ-CZ 3.76Å; F394-F483 HydrophobicContact CZ-CZ 3.76Å; F394-Y486 AromaticContact CD1-CE1 3.97Å; F394-Y486 HydrophobicContact CD1-CE1 3.97Å; F394-Y486 HydrophobicContact CD1-CE2 4.09Å; F394-Y486 AromaticContact CD1-CZ 3.7Å; F394-Y486 AromaticContact CE1-CE1 3.78Å; F394-Y486 HydrophobicContact CE1-CE1 3.78Å; F394-Y486 AromaticContact CE1-CZ 3.77Å
395	R	98.8	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.4	-49.6	177.9	174.6	164.5	46.6	95.3	2.6	112.9	I375 S377 E391 M392 W397 Q398 C399 W441	I375-R395 HydrophobicContact CG1-CG 4.13Å; I375-R395 WeakPolarHBondContact O-CD 3.35Å; I375-R395 PolarHBondContact O-NH1 3.08Å; S377-R395 PolarHBondContact O-NH1 2.99Å; S377-R395 PolarHBondContact O-NH2 2.86Å; E391-R395 VanDerWaalsContact O-CB 3.25Å; E391-R395 WeakPolarHBondContact O-CB 3.4Å; E391-R395 PolarHBondContact O-N 3.34Å; E391-R395 IonicContact OE1-CZ 2.69Å; E391-R395 IonicContact OE1-NE 3.15Å; E391-R395 PolarHBondContact OE1-NE 3.49Å; E391-R395 VanDerWaalsContact OE1-NE 3.11Å; E391-R395 IonicContact OE1-NH2 3.81Å; E391-R395 IonicContact OE2-CZ 2.73Å; E391-R395 IonicContact OE2-NE 3.43Å; E391-R395 PolarHBondContact OE2-NE 2.96Å; E391-R395 VanDerWaalsContact OE2-NE 3.13Å; E391-R395 IonicContact OE2-NH2 3.65Å; E391-R395 PolarHBondContact OE2-NH2 3.32Å; M392-R395 PolarHBondContact O-N 2.95Å; R395-W397 VanDerWaalsContact C-N 3.35Å; R395-W397 PolarHBondContact O-N 3.49Å; R395-Q398 PolarHBondContact O-N 2.95Å; R395-C399 WeakPolarHBondContact O-CB 3.3Å; R395-C399 PolarHBondContact O-N 3.47Å; R395-C399 PolarHBondContact O-SG 3.3Å; R395-W441 HydrophobicContact CB-CD2 4.22Å; R395-W441 HydrophobicContact CB-CE3 4.33Å; R395-W441 HydrophobicContact CB-CH2 3.79Å; R395-W441 HydrophobicContact CB-CZ2 3.64Å; R395-W441 HydrophobicContact CB-CZ3 4.11Å; R395-W441 VanDerWaalsContact CD-CZ2 3.45Å; R395-W441 HydrophobicContact CG-CH2 3.55Å; R395-W441 HydrophobicContact CG-CZ2 3.6Å; R395-W441 HydrophobicContact CG-CZ3 4.23Å
396	V	98.9	Very high	97.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.5	-49.6	-179.4	166.1	0	0	0	0	110.2	V299 M392 S393 G400 G401	V299-V396 HydrophobicContact CB-CG1 4.48Å; V299-V396 HydrophobicContact CG2-CG1 3.91Å; V299-V396 HydrophobicContact CG2-CG2 3.83Å; M392-V396 HydrophobicContact CE-CG2 4.43Å; M392-V396 HydrophobicContact CG-CG2 4.03Å; M392-V396 VanDerWaalsContact O-CB 3.3Å; M392-V396 WeakPolarHBondContact O-CB 3.47Å; M392-V396 WeakPolarHBondContact O-CG2 3.22Å; M392-V396 PolarHBondContact O-N 3.38Å; S393-V396 PolarHBondContact O-N 2.9Å; V396-G400 PolarHBondContact O-N 3.01Å; V396-G401 VanDerWaalsContact O-CA 3.31Å; V396-G401 WeakPolarHBondContact O-CA 3.26Å; V396-G401 PolarHBondContact O-N 2.98Å
397	W	98.8	Very high	98.2	Very high	19 Å²	19	7.9 Å²	7.9	7%	0.072	5%	0.05	C	C	.	.	H	α-helix	trans	-67.1	-50.5	179.8	-82.1	116.5	0	0	0	113.1	K356 T357 P358 S393 F394 R395 C399 G400 Q402 L403 W485 Y486 V490	K356-W397 HydrophobicContact CB-CH2 4.41Å; K356-W397 HydrophobicContact CB-CZ2 4.46Å; K356-W397 HydrophobicContact CD-CH2 4.2Å; K356-W397 HydrophobicContact CG-CH2 4.32Å; T357-W397 PolarHBondContact O-NE1 3.27Å; P358-W397 PolarHBondContact O-NE1 3.28Å; S393-W397 PolarHBondContact O-N 3.1Å; S393-W397 VanDerWaalsContact O-N 3.16Å; F394-W397 PolarHBondContact O-N 2.97Å; R395-W397 VanDerWaalsContact C-N 3.35Å; R395-W397 PolarHBondContact O-N 3.49Å; W397-C399 PolarHBondContact O-N 3.23Å; W397-G400 PolarHBondContact O-N 3.06Å; W397-Q402 HydrophobicContact CH2-CB 4.32Å; W397-Q402 HydrophobicContact CH2-CG 4.43Å; W397-Q402 HydrophobicContact CZ3-CB 4.42Å; W397-Q402 HydrophobicContact CZ3-CG 4.18Å; W397-L403 HydrophobicContact CZ2-CB 4.14Å; W397-L403 WeakPolarHBondContact CZ2-O 3.24Å; W397-W485 WeakPolarHBondContact O-CZ3 3.37Å; W397-Y486 HydrophobicContact CB-CD2 3.71Å; W397-Y486 HydrophobicContact CB-CE2 3.88Å; W397-Y486 AromaticContact CD1-CE2 3.73Å; W397-Y486 HydrophobicContact CG-CD2 4.21Å; W397-Y486 AromaticContact CG-CE2 3.96Å; W397-Y486 HydrophobicContact CG-CE2 3.96Å; W397-V490 HydrophobicContact CB-CG2 4.1Å; W397-V490 HydrophobicContact CD2-CB 4.35Å; W397-V490 HydrophobicContact CD2-CG1 3.64Å; W397-V490 HydrophobicContact CD2-CG2 3.71Å; W397-V490 HydrophobicContact CE3-CG1 4.27Å; W397-V490 HydrophobicContact CE3-CG2 3.66Å; W397-V490 HydrophobicContact CG-CB 4.49Å; W397-V490 HydrophobicContact CG-CG1 3.81Å; W397-V490 HydrophobicContact CG-CG2 3.94Å; W397-V490 HydrophobicContact CZ2-CG1 4.08Å; W397-V490 HydrophobicContact CZ3-CG2 4.34Å
398	Q	98.8	Very high	98.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64	-32.2	-177.3	-71.9	175.8	-92.6	0	0	111.7	F394 R395 G400 W441 C480 K481	F394-Q398 VanDerWaalsContact O-CB 3.22Å; F394-Q398 WeakPolarHBondContact O-CB 3.45Å; F394-Q398 VanDerWaalsContact O-CG 3.26Å; F394-Q398 WeakPolarHBondContact O-CG 3.42Å; F394-Q398 PolarHBondContact O-N 2.86Å; F394-Q398 PolarHBondContact O-OE1 3.38Å; R395-Q398 PolarHBondContact O-N 2.95Å; Q398-G400 VanDerWaalsContact C-N 3.35Å; Q398-W441 HydrophobicContact CB-CE3 4.43Å; Q398-W441 HydrophobicContact CB-CZ3 4.43Å; Q398-W441 PolarHBondContact NE2-O 2.88Å; Q398-W441 VanDerWaalsContact NE2-O 3.14Å; Q398-W441 PolarHBondContact OE1-O 3.45Å; Q398-C480 HydrophobicContact CB-CB 4.2Å; Q398-C480 CarbonylContact O-C 3.5Å; Q398-C480 VanDerWaalsContact O-CA 3.29Å; Q398-C480 WeakPolarHBondContact O-CA 3.42Å; Q398-K481 PolarHBondContact NE2-O 3.22Å; Q398-K481 PolarHBondContact O-N 3.39Å
399	C	98.6	Very high	98.5	Very high	13 Å²	13	7.3 Å²	7.3	9%	0.088	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	14	-178.8	-53.6	0	0	0	0	113.9	I375 R395 W397 W441 L478 C480	I375-C399 HydrophobicContact CD1-CB 3.42Å; I375-C399 VanDerWaalsContact CD1-CB 3.42Å; R395-C399 WeakPolarHBondContact O-CB 3.3Å; R395-C399 PolarHBondContact O-N 3.47Å; R395-C399 PolarHBondContact O-SG 3.3Å; W397-C399 PolarHBondContact O-N 3.23Å; C399-W441 VanDerWaalsContact SG-CZ3 3.56Å; C399-L478 HydrophobicContact CB-CB 4.42Å; C399-L478 HydrophobicContact CB-CD1 4.34Å; C399-C480 HydrophobicContact CB-CB 4Å; C399-C480 WeakPolarHBondContact CB-SG 3.45Å; C399-C480 WeakPolarHBondContact SG-CB 3.5Å; C399-C480 CovalentContact SG-SG 2.03Å; C399-C480 PolarHBondContact SG-SG 2.81Å
400	G	97.1	Very high	98.5	Very high	34 Å²	34	6.8 Å²	6.8	35%	0.351	4%	0.043	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	6.2	166.9	0	0	0	0	0	116.5	V396 W397 Q398	V396-G400 PolarHBondContact O-N 3.01Å; W397-G400 PolarHBondContact O-N 3.06Å; Q398-G400 VanDerWaalsContact C-N 3.35Å
401	G	98.3	Very high	98.6	Very high	4 Å²	4	6.8 Å²	6.8	4%	0.041	4%	0.043	C	C	.	.			trans	-81.8	-172.2	170.5	0	0	0	0	0	113.5	T297 Y371 V396	T297-G401 WeakPolarHBondContact O-CA 3.09Å; Y371-G401 WeakPolarHBondContact OH-CA 3.39Å; Y371-G401 PolarHBondContact OH-N 3.4Å; V396-G401 VanDerWaalsContact O-CA 3.31Å; V396-G401 WeakPolarHBondContact O-CA 3.26Å; V396-G401 PolarHBondContact O-N 2.98Å
402	Q	98.1	Very high	98.5	Very high	51 Å²	51	6.7 Å²	6.7	24%	0.238	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.7	175.3	-64.6	-178.4	-16.9	0	0	109.4	N295 T297 V299 W397 E404	N295-Q402 PolarHBondContact ND2-OE1 3.14Å; N295-Q402 VanDerWaalsContact ND2-OE1 3.08Å; T297-Q402 PolarHBondContact O-N 2.78Å; V299-Q402 PolarHBondContact N-O 3.3Å; W397-Q402 HydrophobicContact CH2-CB 4.32Å; W397-Q402 HydrophobicContact CH2-CG 4.43Å; W397-Q402 HydrophobicContact CZ3-CB 4.42Å; W397-Q402 HydrophobicContact CZ3-CG 4.18Å; Q402-E404 HydrophobicContact CB-CG 4.34Å; Q402-E404 PolarHBondContact OE1-OE1 3.43Å
403	L	98.8	Very high	98.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.7	173.5	-160.2	66	0	0	0	108.3	V299 T357 F360 S393 W397	V299-L403 HydrophobicContact CB-CD1 3.64Å; V299-L403 HydrophobicContact CG1-CD1 3.66Å; V299-L403 WeakPolarHBondContact O-CA 3.46Å; T357-L403 HydrophobicContact CG2-CB 4.16Å; T357-L403 HydrophobicContact CG2-CD2 4.1Å; T357-L403 HydrophobicContact CG2-CG 3.8Å; T357-L403 PolarHBondContact N-O 2.8Å; F360-L403 HydrophobicContact CB-CD1 4.31Å; F360-L403 HydrophobicContact CB-CD2 3.87Å; F360-L403 HydrophobicContact CB-CG 4.17Å; F360-L403 HydrophobicContact CD1-CD1 4.37Å; F360-L403 HydrophobicContact CD1-CD2 4.02Å; F360-L403 HydrophobicContact CD2-CD1 4Å; F360-L403 HydrophobicContact CE2-CD1 4.39Å; F360-L403 HydrophobicContact CG-CD1 3.99Å; F360-L403 HydrophobicContact CG-CD2 4.01Å; F360-L403 HydrophobicContact CG-CG 4.33Å; S393-L403 WeakPolarHBondContact OG-CD2 3.28Å; W397-L403 HydrophobicContact CZ2-CB 4.14Å; W397-L403 WeakPolarHBondContact CZ2-O 3.24Å
404	E	98.8	Very high	98.5	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.009	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.7	-168.5	-65	177.1	162.7	0	0	111.8	R291 V299 V300 S301 P354 I355 Q402 I406	R291-E404 WeakPolarHBondContact CG-OE2 3.31Å; R291-E404 IonicContact CZ-OE1 3.15Å; R291-E404 IonicContact CZ-OE2 3.8Å; R291-E404 IonicContact NE-OE1 2.76Å; R291-E404 IonicContact NE-OE2 3.35Å; R291-E404 PolarHBondContact NE-OE2 3.01Å; R291-E404 IonicContact NH2-OE1 3.45Å; R291-E404 PolarHBondContact NH2-OE1 3.29Å; R291-E404 IonicContact NH2-OE2 2.97Å; R291-E404 PolarHBondContact NH2-OE2 2.92Å; V299-E404 PolarHBondContact O-N 3.36Å; V300-E404 CarbonylContact C-O 3.38Å; V300-E404 WeakPolarHBondContact CA-O 3.44Å; V300-E404 HydrophobicContact CG1-CB 4.33Å; S301-E404 PolarHBondContact N-O 2.93Å; P354-E404 HydrophobicContact CB-CB 3.96Å; P354-E404 HydrophobicContact CB-CG 4.08Å; I355-E404 CarbonylContact O-C 3.59Å; I355-E404 WeakPolarHBondContact O-CA 3.32Å; Q402-E404 HydrophobicContact CB-CG 4.34Å; Q402-E404 PolarHBondContact OE1-OE1 3.43Å; E404-I406 HydrophobicContact CB-CD1 4.43Å
405	I	98.8	Very high	98.2	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.026	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134	167.3	-63.6	164.6	0	0	0	107.5	S301 D303 W337 I355 T357 P407	S301-I405 CarbonylContact O-C 3.58Å; S301-I405 WeakPolarHBondContact O-CA 3.39Å; D303-I405 HydrophobicContact CB-CG2 4.24Å; W337-I405 HydrophobicContact CZ3-CD1 4.02Å; I355-I405 HydrophobicContact CB-CB 4.23Å; I355-I405 PolarHBondContact N-O 3.1Å; I355-I405 PolarHBondContact O-N 2.95Å; T357-I405 HydrophobicContact CG2-CD1 4.24Å; T357-I405 HydrophobicContact CG2-CG1 4Å; I405-P407 WeakPolarHBondContact O-CD 3.27Å
406	I	98.6	Very high	97.7	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.026	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	102.9	180	-50.5	-56.5	0	0	0	109.1	P287 L288 R291 V300 S301 P354 E404 C408 S409	P287-I406 HydrophobicContact CB-CG2 3.53Å; L288-I406 HydrophobicContact CD2-CB 3.93Å; L288-I406 HydrophobicContact CD2-CG1 3.76Å; R291-I406 HydrophobicContact CB-CD1 4.29Å; R291-I406 HydrophobicContact CG-CD1 4.08Å; V300-I406 HydrophobicContact CB-CD1 4.44Å; V300-I406 HydrophobicContact CB-CG1 4Å; V300-I406 HydrophobicContact CG1-CD1 4.22Å; V300-I406 HydrophobicContact CG1-CG1 4.3Å; S301-I406 PolarHBondContact O-N 3.33Å; P354-I406 HydrophobicContact CB-CD1 3.61Å; E404-I406 HydrophobicContact CB-CD1 4.43Å; I406-C408 VanDerWaalsContact C-N 3.28Å; I406-C408 PolarHBondContact O-N 3.21Å; I406-S409 WeakPolarHBondContact O-CA 3.43Å; I406-S409 WeakPolarHBondContact O-CB 3.44Å; I406-S409 PolarHBondContact O-N 2.93Å; I406-S409 VanDerWaalsContact O-O 3.06Å
407	P	97.8	Very high	96.6	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.032	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	-32.2	-173.7	-25.4	35.6	0	0	0	114.6	E351 I355 I405 S409	E351-P407 WeakPolarHBondContact OE2-CB 3.29Å; E351-P407 WeakPolarHBondContact OE2-CG 3.4Å; I355-P407 HydrophobicContact CD1-CG 3.68Å; I355-P407 HydrophobicContact CG1-CG 4.04Å; I405-P407 WeakPolarHBondContact O-CD 3.27Å; P407-S409 PolarHBondContact O-N 3.29Å
408	C	98.3	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-15.9	175.1	-61.8	0	0	0	0	113.4	R167 C171 P287 E351 I406	R167-C408 WeakPolarHBondContact CD-O 3.39Å; R167-C408 PolarHBondContact NH1-O 2.94Å; C171-C408 WeakPolarHBondContact CA-SG 3.46Å; C171-C408 HydrophobicContact CB-CB 3.54Å; C171-C408 WeakPolarHBondContact CB-SG 3.47Å; C171-C408 WeakPolarHBondContact SG-CA 3.39Å; C171-C408 WeakPolarHBondContact SG-CB 3.48Å; C171-C408 CovalentContact SG-SG 2.04Å; C171-C408 PolarHBondContact SG-SG 3.12Å; P287-C408 HydrophobicContact CB-CB 4.32Å; P287-C408 HydrophobicContact CG-CB 4.02Å; E351-C408 PolarHBondContact O-SG 3.13Å; E351-C408 VanDerWaalsContact O-SG 3.41Å; I406-C408 VanDerWaalsContact C-N 3.28Å; I406-C408 PolarHBondContact O-N 3.21Å
409	S	98.7	Very high	94.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.9	174.3	-179	0	0	0	0	109.4	W284 L288 P302 D303 I406 P407	W284-S409 WeakPolarHBondContact O-CB 3.23Å; W284-S409 PolarHBondContact O-OG 2.73Å; L288-S409 WeakPolarHBondContact CD1-OG 3.39Å; L288-S409 WeakPolarHBondContact CG-OG 3.11Å; P302-S409 CarbonylContact C-O 3.38Å; P302-S409 VanDerWaalsContact CA-O 3.26Å; P302-S409 WeakPolarHBondContact CA-O 3.49Å; P302-S409 VanDerWaalsContact CB-O 3.31Å; P302-S409 WeakPolarHBondContact CB-O 3.47Å; P302-S409 WeakPolarHBondContact CB-OG 3.34Å; D303-S409 PolarHBondContact N-O 3.3Å; I406-S409 WeakPolarHBondContact O-CA 3.43Å; I406-S409 WeakPolarHBondContact O-CB 3.44Å; I406-S409 PolarHBondContact O-N 2.93Å; I406-S409 VanDerWaalsContact O-O 3.06Å; P407-S409 PolarHBondContact O-N 3.29Å
410	V	98.6	Very high	93.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.4	-178.1	-178.8	0	0	0	0	110	R167 F281 D303 T305 F314 P317	R167-V410 HydrophobicContact CG-CG2 4.42Å; F281-V410 HydrophobicContact CB-CB 3.81Å; F281-V410 HydrophobicContact CB-CG1 4.15Å; F281-V410 WeakPolarHBondContact CB-O 3.42Å; F281-V410 HydrophobicContact CD1-CB 4.49Å; F281-V410 HydrophobicContact CG-CB 4.36Å; F281-V410 PolarHBondContact N-O 3.28Å; D303-V410 WeakPolarHBondContact O-CA 3.14Å; T305-V410 HydrophobicContact CG2-CG1 3.82Å; F314-V410 HydrophobicContact CZ-CG1 4.34Å; P317-V410 HydrophobicContact CB-CG2 4.21Å; P317-V410 HydrophobicContact CG-CG2 4.21Å
411	V	98.9	Very high	92.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126.3	173.6	-175.3	0	0	0	0	109.2	L274 C278 W284 P302 D303 I304 T305 L364	L274-V411 HydrophobicContact CD2-CG1 4.39Å; C278-V411 HydrophobicContact CB-CG1 3.99Å; W284-V411 HydrophobicContact CB-CG2 4.36Å; W284-V411 HydrophobicContact CD2-CG2 4.04Å; W284-V411 HydrophobicContact CE3-CG2 3.49Å; W284-V411 VanDerWaalsContact CE3-CG2 3.49Å; W284-V411 HydrophobicContact CG-CG2 4.41Å; W284-V411 HydrophobicContact CZ3-CG2 4.12Å; P302-V411 HydrophobicContact CB-CB 4.19Å; P302-V411 HydrophobicContact CB-CG2 3.75Å; P302-V411 HydrophobicContact CG-CB 4.07Å; P302-V411 HydrophobicContact CG-CG2 3.84Å; D303-V411 PolarHBondContact O-N 3.36Å; I304-V411 WeakPolarHBondContact CA-O 3.47Å; T305-V411 PolarHBondContact N-O 2.76Å; L364-V411 HydrophobicContact CD2-CB 3.6Å; L364-V411 HydrophobicContact CD2-CG1 3.35Å; L364-V411 HydrophobicContact CD2-CG2 4.39Å
412	G	98.5	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	142.3	173.6	0	0	0	0	0	111.5	C278 E279 T305 F314	C278-G412 CarbonylContact C-O 3.53Å; C278-G412 WeakPolarHBondContact CA-O 3.37Å; C278-G412 WeakPolarHBondContact CB-O 3.18Å; E279-G412 PolarHBondContact N-O 3.16Å; E279-G412 PolarHBondContact O-N 2.92Å; T305-G412 CarbonylContact O-C 3.49Å; T305-G412 VanDerWaalsContact O-CA 3.29Å; T305-G412 WeakPolarHBondContact O-CA 3.47Å; F314-G412 VanDerWaalsContact CE2-CA 3.47Å
413	H	98.6	Very high	90.2	Very high	20 Å²	20	36 Å²	36	9%	0.093	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136	176.3	-179.8	-87	0	0	0	110.4	D275 H277 I304 T305 I307 F415	D275-H413 IonicContact OD2-CD2 2.74Å; D275-H413 IonicContact OD2-NE2 2.87Å; D275-H413 PolarHBondContact OD2-NE2 2.74Å; H277-H413 AromaticContact CD2-CD2 3.89Å; H277-H413 AromaticContact CD2-CE1 3.8Å; H277-H413 AromaticContact CD2-NE2 3.47Å; H277-H413 PolarHBondContact CD2-NE2 3.03Å; H277-H413 AromaticContact NE2-CE1 3.59Å; H277-H413 AromaticContact NE2-NE2 3.19Å; H277-H413 PolarHBondContact NE2-NE2 3.05Å; H277-H413 VanDerWaalsContact NE2-NE2 3.19Å; I304-H413 HydrophobicContact CG2-CB 3.75Å; T305-H413 PolarHBondContact O-N 3.46Å; I307-H413 PolarHBondContact N-O 3.47Å; H413-F415 HydrophobicContact CB-CD2 4.46Å; H413-F415 HydrophobicContact CB-CE2 4.1Å; H413-F415 HydrophobicContact CB-CZ 4.3Å; H413-F415 AromaticContact ND1-CD1 3.63Å; H413-F415 AromaticContact ND1-CE1 3.84Å; H413-F415 AromaticContact ND1-CG 3.73Å; H413-F415 PolarHBondContact ND1-N 3.48Å; H413-F415 WeakPolarHBondContact O-CD2 3.43Å; H413-F415 PolarHBondContact O-N 3.41Å; H413-F415 VanDerWaalsContact O-N 3.08Å
414	V	98.1	Very high	88.7	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	90.6	172.4	-176	0	0	0	0	109.3	F148 H277 I307 L309 F312 R416	F148-V414 HydrophobicContact CB-CG1 4.04Å; F148-V414 HydrophobicContact CD1-CG1 4.32Å; F148-V414 HydrophobicContact CG-CG1 4.14Å; H277-V414 HydrophobicContact CB-CB 4.21Å; H277-V414 HydrophobicContact CB-CG2 4.2Å; H277-V414 PolarHBondContact O-N 2.79Å; H277-V414 VanDerWaalsContact O-N 3.16Å; I307-V414 HydrophobicContact CB-CG2 3.89Å; I307-V414 HydrophobicContact CD1-CG2 4.32Å; I307-V414 HydrophobicContact CG2-CG2 3.86Å; L309-V414 HydrophobicContact CB-CG1 4.07Å; F312-V414 HydrophobicContact CE1-CG2 4.07Å; F312-V414 HydrophobicContact CZ-CG2 4.41Å; V414-R416 PolarHBondContact O-N 3.38Å
415	F	92.8	Very high	87.4	Confident	73 Å²	73	46.6 Å²	46.6	32%	0.32	24%	0.243	S	C	.	.			trans	-69.4	129.4	176.1	-70.7	-79.7	0	0	0	110.8	I304 T306 L309 H413	I304-F415 HydrophobicContact CG2-CE2 4.02Å; I304-F415 HydrophobicContact CG2-CZ 3.63Å; T306-F415 HydrophobicContact CG2-CD2 4.13Å; L309-F415 WeakPolarHBondContact CD2-O 3.42Å; H413-F415 HydrophobicContact CB-CD2 4.46Å; H413-F415 HydrophobicContact CB-CE2 4.1Å; H413-F415 HydrophobicContact CB-CZ 4.3Å; H413-F415 AromaticContact ND1-CD1 3.63Å; H413-F415 AromaticContact ND1-CE1 3.84Å; H413-F415 AromaticContact ND1-CG 3.73Å; H413-F415 PolarHBondContact ND1-N 3.48Å; H413-F415 WeakPolarHBondContact O-CD2 3.43Å; H413-F415 PolarHBondContact O-N 3.41Å; H413-F415 VanDerWaalsContact O-N 3.08Å
416	R	88.7	Confident	86.4	Confident	50 Å²	50	48 Å²	48	19%	0.189	26%	0.259	C	S	.	.			trans	-106.6	148	-179.7	-53.6	178.1	-157.3	-159	7.8	109.8	H146 F148 E194 H277 V414 K418 P420	H146-R416 PolarHBondContact O-NH1 3.38Å; F148-R416 VanDerWaalsContact CE1-CZ 3.43Å; E194-R416 IonicContact OE1-NH2 3.19Å; E194-R416 PolarHBondContact OE1-NH2 3.4Å; E194-R416 IonicContact OE2-NH2 3.31Å; E194-R416 PolarHBondContact OE2-NH2 2.97Å; H277-R416 PolarHBondContact CE1-NH2 2.97Å; H277-R416 PolarHBondContact ND1-NH2 3.27Å; V414-R416 PolarHBondContact O-N 3.38Å; R416-K418 WeakPolarHBondContact CB-O 3.41Å; R416-P420 VanDerWaalsContact NH1-CG 3.34Å
417	T	76	Confident	85.4	Confident	116 Å²	116	52.5 Å²	52.5	71%	0.712	29%	0.287	S	S	*	.	S	Bend	trans	-80.4	-20.5	175.7	54.4	0	0	0	0	112.9
418	K	75.8	Confident	84.7	Confident	158 Å²	158	56.7 Å²	56.7	69%	0.687	31%	0.306	S	S	*	.	S	Bend	trans	-140.1	151.4	179.1	-63.7	-179.9	-176.1	174	0	109.9	R416	R416-K418 WeakPolarHBondContact CB-O 3.41Å
419	S	76.3	Confident	84.2	Confident	66 Å²	66	56.8 Å²	56.8	46%	0.462	31%	0.307	S	S	.	.			trans	-71.5	128.6	172.2	-179.2	0	0	0	0	109.7	H421	S419-H421 PolarHBondContact O-N 2.88Å; S419-H421 PolarHBondContact OG-N 3.06Å
420	P	72.8	Confident	83.8	Confident	39 Å²	39	58.8 Å²	58.8	25%	0.253	32%	0.317	S	S	.	.			trans	-75.2	-8.4	174.6	37.7	-43.7	0	0	0	112.1	R416	R416-P420 VanDerWaalsContact NH1-CG 3.34Å
421	H	78.8	Confident	83.4	Confident	68 Å²	68	59 Å²	59	32%	0.315	32%	0.319	S	S	.	.	S	Bend	trans	-96.4	140.4	-165.7	-62	-45.3	0	0	0	112.1	H192 S419 F423	H192-H421 AromaticContact CD2-ND1 3.61Å; H192-H421 PolarHBondContact O-CE1 3.02Å; H192-H421 VanDerWaalsContact O-CE1 3.29Å; S419-H421 PolarHBondContact O-N 2.88Å; S419-H421 PolarHBondContact OG-N 3.06Å; H421-F423 WeakPolarHBondContact O-CD2 3.36Å
422	T	74.6	Confident	83.3	Confident	100 Å²	100	60.6 Å²	60.6	61%	0.613	33%	0.325	S	S	*	.			trans	-72.3	146.3	169	58	0	0	0	0	110.4	R252 P424	R252-T422 PolarHBondContact NH1-O 2.84Å; R252-T422 PolarHBondContact NH2-O 2.8Å; T422-P424 WeakPolarHBondContact O-CD 3.38Å
423	F	75.3	Confident	83.2	Confident	44 Å²	44	60.6 Å²	60.6	19%	0.193	33%	0.325	C	S	.	.			trans	-109.6	98.9	172.6	-71.2	-96.8	0	0	0	108	I384 H421 K425 G426 I430	I384-F423 HydrophobicContact CB-CD1 4.49Å; I384-F423 HydrophobicContact CG2-CD1 3.91Å; I384-F423 HydrophobicContact CG2-CE1 3.91Å; H421-F423 WeakPolarHBondContact O-CD2 3.36Å; F423-K425 PolarHBondContact O-N 2.87Å; F423-G426 PolarHBondContact O-N 2.71Å; F423-I430 HydrophobicContact CE1-CD1 4.13Å; F423-I430 HydrophobicContact CE1-CG1 4.24Å; F423-I430 HydrophobicContact CZ-CD1 4.29Å
424	P	68.3	Low	83.1	Confident	89 Å²	89	60.5 Å²	60.5	58%	0.578	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.7	-171.8	-28.9	33.3	0	0	0	114.1	T422	T422-P424 WeakPolarHBondContact O-CD 3.38Å
425	K	71.3	Confident	83.1	Confident	136 Å²	136	60.4 Å²	60.4	59%	0.591	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	14.8	177.5	-59.1	-178.9	-177.7	178.2	0	113	E383 F423 V429	E383-K425 IonicContact OE1-NZ 2.76Å; E383-K425 PolarHBondContact OE1-NZ 2.86Å; F423-K425 PolarHBondContact O-N 2.87Å; K425-V429 HydrophobicContact CB-CG2 3.77Å
426	G	78.4	Confident	83.4	Confident	34 Å²	34	57 Å²	57	35%	0.351	31%	0.309	S	S	.	.			trans	75.4	178.3	-175.1	0	0	0	0	0	114.4	F423 Q428 V429	F423-G426 PolarHBondContact O-N 2.71Å; G426-Q428 PolarHBondContact O-N 3Å; G426-V429 WeakPolarHBondContact O-CG2 3.3Å; G426-V429 PolarHBondContact O-N 3.31Å
427	T	76.6	Confident	83.8	Confident	100 Å²	100	54.7 Å²	54.7	61%	0.613	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.6	-178.8	52.2	0	0	0	0	113.6	V429 I430	T427-V429 PolarHBondContact O-N 3.03Å; T427-I430 PolarHBondContact O-N 3.29Å
428	Q	82.9	Confident	84.9	Confident	93 Å²	93	49.1 Å²	49.1	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-54.5	-26.8	173.2	-173	-164.8	43.1	0	0	112.2	G426 I430 A431 R432 M459	G426-Q428 PolarHBondContact O-N 3Å; Q428-I430 PolarHBondContact O-N 3.18Å; Q428-A431 PolarHBondContact O-N 3.41Å; Q428-R432 WeakPolarHBondContact O-CB 3.43Å; Q428-R432 PolarHBondContact O-N 2.76Å; Q428-M459 HydrophobicContact CG-CE 3.59Å
429	V	88.8	Confident	86	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-55.3	-39.5	175.8	172.9	0	0	0	0	112.1	E383 I384 K425 G426 T427 R432 N433	E383-V429 HydrophobicContact CB-CG1 3.66Å; E383-V429 WeakPolarHBondContact O-CG1 3.4Å; I384-V429 HydrophobicContact CB-CG1 4.18Å; I384-V429 HydrophobicContact CG1-CG1 4.32Å; K425-V429 HydrophobicContact CB-CG2 3.77Å; G426-V429 WeakPolarHBondContact O-CG2 3.3Å; G426-V429 PolarHBondContact O-N 3.31Å; T427-V429 PolarHBondContact O-N 3.03Å; V429-R432 WeakPolarHBondContact O-CB 3.48Å; V429-R432 PolarHBondContact O-N 3.05Å; V429-N433 VanDerWaalsContact O-CG 3.28Å; V429-N433 PolarHBondContact O-N 2.93Å; V429-N433 PolarHBondContact O-OD1 3.34Å
430	I	89.7	Confident	87.1	Confident	42 Å²	42	40.8 Å²	40.8	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-49.4	179.2	-59.5	171.5	0	0	0	109.8	W385 F423 T427 Q428 R432 N433 Q434	W385-I430 HydrophobicContact CE3-CD1 4.33Å; W385-I430 HydrophobicContact CZ3-CD1 4.27Å; F423-I430 HydrophobicContact CE1-CD1 4.13Å; F423-I430 HydrophobicContact CE1-CG1 4.24Å; F423-I430 HydrophobicContact CZ-CD1 4.29Å; T427-I430 PolarHBondContact O-N 3.29Å; Q428-I430 PolarHBondContact O-N 3.18Å; I430-R432 PolarHBondContact O-N 3.29Å; I430-N433 PolarHBondContact O-N 2.55Å; I430-N433 VanDerWaalsContact O-N 3.1Å; I430-Q434 WeakPolarHBondContact O-CG 3.35Å; I430-Q434 PolarHBondContact O-N 3.4Å
431	A	91.4	Very high	88.3	Confident	5 Å²	5	39 Å²	39	4%	0.041	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-37.2	175.9	0	0	0	0	0	111.6	Q428 Q434 V435 M459	Q428-A431 PolarHBondContact O-N 3.41Å; A431-Q434 PolarHBondContact O-N 2.97Å; A431-V435 VanDerWaalsContact O-CG2 3.23Å; A431-V435 WeakPolarHBondContact O-CG2 3.36Å; A431-V435 PolarHBondContact O-N 3.26Å; A431-M459 HydrophobicContact CB-CE 4.41Å
432	R	95.4	Very high	89.2	Confident	35 Å²	35	35.8 Å²	35.8	13%	0.132	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-47.3	174.5	-179.2	174.3	170	-81.6	-20.9	112	K381 E383 Q428 V429 I430 Q434 V435 R436 M459 F465	K381-R432 PolarHBondContact O-NH1 3.19Å; K381-R432 PolarHBondContact O-NH2 3.08Å; K381-R432 VanDerWaalsContact O-NH2 3.13Å; E383-R432 VanDerWaalsContact CD-NH1 3.26Å; E383-R432 IonicContact OE2-CZ 2.73Å; E383-R432 IonicContact OE2-NE 2.99Å; E383-R432 IonicContact OE2-NH1 3.85Å; E383-R432 PolarHBondContact OE2-NH1 3.47Å; Q428-R432 WeakPolarHBondContact O-CB 3.43Å; Q428-R432 PolarHBondContact O-N 2.76Å; V429-R432 WeakPolarHBondContact O-CB 3.48Å; V429-R432 PolarHBondContact O-N 3.05Å; I430-R432 PolarHBondContact O-N 3.29Å; R432-Q434 VanDerWaalsContact C-N 3.33Å; R432-Q434 PolarHBondContact O-N 2.73Å; R432-V435 PolarHBondContact O-N 3.49Å; R432-R436 WeakPolarHBondContact O-CG 3.39Å; R432-R436 PolarHBondContact O-N 2.84Å; R432-M459 WeakPolarHBondContact CA-SD 3.42Å; R432-M459 HydrophobicContact CB-CE 3.83Å; R432-M459 HydrophobicContact CB-SD 3.58Å; R432-M459 VanDerWaalsContact CB-SD 3.58Å; R432-M459 HydrophobicContact CG-SD 3.86Å; R432-F465 HydrophobicContact CG-CB 4.49Å; R432-F465 PolarHBondContact NE-O 2.74Å; R432-F465 PolarHBondContact NH2-O 3.16Å
433	N	96.4	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-41.3	176.9	-63.1	-14	0	0	0	111.2	M382 E383 W385 G386 A387 V429 I430 R436 L437	M382-N433 VanDerWaalsContact CA-OD1 3.25Å; M382-N433 WeakPolarHBondContact CA-OD1 3.19Å; M382-N433 HydrophobicContact CB-CB 4.43Å; M382-N433 HydrophobicContact CE-CB 4.35Å; M382-N433 WeakPolarHBondContact CE-O 3.48Å; M382-N433 HydrophobicContact CG-CB 4.01Å; M382-N433 HydrophobicContact SD-CB 4.26Å; E383-N433 PolarHBondContact N-OD1 3.47Å; E383-N433 PolarHBondContact O-ND2 3.47Å; W385-N433 PolarHBondContact O-ND2 2.71Å; G386-N433 VanDerWaalsContact O-CB 3.25Å; G386-N433 WeakPolarHBondContact O-CB 3.26Å; G386-N433 PolarHBondContact O-ND2 3.1Å; G386-N433 VanDerWaalsContact O-ND2 3.1Å; A387-N433 HydrophobicContact CB-CB 4.15Å; V429-N433 VanDerWaalsContact O-CG 3.28Å; V429-N433 PolarHBondContact O-N 2.93Å; V429-N433 PolarHBondContact O-OD1 3.34Å; I430-N433 PolarHBondContact O-N 2.55Å; I430-N433 VanDerWaalsContact O-N 3.1Å; N433-R436 WeakPolarHBondContact O-CB 3.12Å; N433-R436 PolarHBondContact O-N 2.89Å; N433-L437 PolarHBondContact O-N 3.15Å; N433-L437 VanDerWaalsContact O-N 3.09Å
434	Q	96.9	Very high	91.4	Very high	17 Å²	17	35.6 Å²	35.6	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-41.6	175.3	-70.3	175.8	-37.2	0	0	112.8	G332 L333 A387 I430 A431 R432 R436 L437 A438 F449	G332-Q434 PolarHBondContact O-NE2 2.55Å; L333-Q434 HydrophobicContact CB-CG 4.1Å; L333-Q434 HydrophobicContact CD1-CB 4.08Å; L333-Q434 PolarHBondContact O-NE2 3.09Å; A387-Q434 HydrophobicContact CB-CB 4.44Å; A387-Q434 HydrophobicContact CB-CG 3.59Å; I430-Q434 WeakPolarHBondContact O-CG 3.35Å; I430-Q434 PolarHBondContact O-N 3.4Å; A431-Q434 PolarHBondContact O-N 2.97Å; R432-Q434 VanDerWaalsContact C-N 3.33Å; R432-Q434 PolarHBondContact O-N 2.73Å; Q434-R436 VanDerWaalsContact C-N 3.32Å; Q434-R436 PolarHBondContact O-N 2.84Å; Q434-L437 WeakPolarHBondContact O-CG 3.49Å; Q434-L437 PolarHBondContact O-N 3.36Å; Q434-A438 VanDerWaalsContact O-CB 3.26Å; Q434-A438 WeakPolarHBondContact O-CB 3.47Å; Q434-A438 PolarHBondContact O-N 2.77Å; Q434-F449 HydrophobicContact CB-CE1 4.18Å; Q434-F449 HydrophobicContact CB-CE2 4.37Å; Q434-F449 HydrophobicContact CB-CZ 3.65Å
435	V	98	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-41.9	174.7	173.9	0	0	0	0	110.7	A431 R432 L437 A438 E439 F449 Y450 A456 M459 A460 F465	A431-V435 VanDerWaalsContact O-CG2 3.23Å; A431-V435 WeakPolarHBondContact O-CG2 3.36Å; A431-V435 PolarHBondContact O-N 3.26Å; R432-V435 PolarHBondContact O-N 3.49Å; V435-L437 PolarHBondContact O-N 3.17Å; V435-A438 PolarHBondContact O-N 3.46Å; V435-E439 HydrophobicContact CG1-CG 4.2Å; V435-E439 WeakPolarHBondContact O-CB 3.21Å; V435-E439 WeakPolarHBondContact O-CG 3.33Å; V435-E439 PolarHBondContact O-N 3.08Å; V435-F449 HydrophobicContact CG2-CE1 4.24Å; V435-Y450 HydrophobicContact CG1-CE1 4.43Å; V435-Y450 HydrophobicContact CG2-CE1 4.11Å; V435-A456 HydrophobicContact CG2-CB 3.63Å; V435-M459 HydrophobicContact CB-SD 4.41Å; V435-M459 HydrophobicContact CG2-CB 4.36Å; V435-M459 HydrophobicContact CG2-SD 4.19Å; V435-A460 HydrophobicContact CG1-CB 4.04Å; V435-F465 HydrophobicContact CB-CB 4.09Å; V435-F465 HydrophobicContact CG1-CB 3.61Å; V435-F465 HydrophobicContact CG1-CD1 3.4Å; V435-F465 VanDerWaalsContact CG1-CD1 3.4Å; V435-F465 HydrophobicContact CG1-CD2 4.47Å; V435-F465 HydrophobicContact CG1-CE1 4.16Å; V435-F465 HydrophobicContact CG1-CG 3.58Å
436	R	98.4	Very high	93.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-45	178.1	-68	178.5	67.5	69.6	9.9	112.2	D379 K381 R432 N433 Q434 V440 F465 G466 D467 I468	D379-R436 VanDerWaalsContact CG-NH2 3.34Å; D379-R436 IonicContact OD1-CZ 3.67Å; D379-R436 IonicContact OD1-NE 3.96Å; D379-R436 IonicContact OD1-NH2 3.55Å; D379-R436 PolarHBondContact OD1-NH2 3.21Å; D379-R436 IonicContact OD2-CZ 3.56Å; D379-R436 IonicContact OD2-NE 3.35Å; D379-R436 PolarHBondContact OD2-NE 2.66Å; D379-R436 IonicContact OD2-NH2 2.71Å; D379-R436 PolarHBondContact OD2-NH2 3.14Å; K381-R436 VanDerWaalsContact CB-CZ 3.46Å; R432-R436 WeakPolarHBondContact O-CG 3.39Å; R432-R436 PolarHBondContact O-N 2.84Å; N433-R436 WeakPolarHBondContact O-CB 3.12Å; N433-R436 PolarHBondContact O-N 2.89Å; Q434-R436 VanDerWaalsContact C-N 3.32Å; Q434-R436 PolarHBondContact O-N 2.84Å; R436-V440 VanDerWaalsContact O-CG2 3.28Å; R436-V440 WeakPolarHBondContact O-CG2 3.4Å; R436-V440 PolarHBondContact O-N 3.28Å; R436-F465 WeakPolarHBondContact CD-O 3.38Å; R436-F465 HydrophobicContact CG-CB 4Å; R436-F465 HydrophobicContact CG-CD2 4.37Å; R436-F465 WeakPolarHBondContact CG-O 3.45Å; R436-F465 PolarHBondContact NH1-O 3.09Å; R436-G466 PolarHBondContact NH1-O 3.15Å; R436-D467 PolarHBondContact NH1-O 2.86Å; R436-D467 PolarHBondContact NH2-O 2.76Å; R436-I468 HydrophobicContact CB-CG2 4.47Å; R436-I468 HydrophobicContact CG-CG2 4.38Å
437	L	98.3	Very high	94.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-37.3	177.6	80.4	78.1	0	0	0	111.9	L333 M382 A387 I390 E391 F394 N433 Q434 V435 V440 W441 M442	L333-L437 HydrophobicContact CD1-CD1 3.85Å; L333-L437 HydrophobicContact CD1-CG 4.44Å; L333-L437 HydrophobicContact CD2-CD1 4.34Å; M382-L437 HydrophobicContact CE-CB 4.05Å; A387-L437 HydrophobicContact CB-CD2 3.55Å; A387-L437 VanDerWaalsContact O-CD2 3.26Å; A387-L437 WeakPolarHBondContact O-CD2 3.02Å; I390-L437 HydrophobicContact CB-CD2 4.06Å; I390-L437 HydrophobicContact CG2-CD1 4.39Å; I390-L437 HydrophobicContact CG2-CD2 4.17Å; E391-L437 HydrophobicContact CB-CB 3.7Å; E391-L437 HydrophobicContact CB-CD2 4.13Å; E391-L437 HydrophobicContact CG-CB 3.77Å; F394-L437 HydrophobicContact CD2-CD1 4.09Å; F394-L437 HydrophobicContact CE2-CD1 3.89Å; N433-L437 PolarHBondContact O-N 3.15Å; N433-L437 VanDerWaalsContact O-N 3.09Å; Q434-L437 WeakPolarHBondContact O-CG 3.49Å; Q434-L437 PolarHBondContact O-N 3.36Å; V435-L437 PolarHBondContact O-N 3.17Å; L437-V440 PolarHBondContact O-N 2.95Å; L437-W441 WeakPolarHBondContact O-CB 3.27Å; L437-W441 PolarHBondContact O-N 2.92Å; L437-M442 HydrophobicContact CD1-CG 4.46Å; L437-M442 HydrophobicContact CD1-SD 4.05Å
438	A	98.4	Very high	95.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-44.4	-178.1	0	0	0	0	0	111	L333 Q434 V435 V440 M442 K446 F449	L333-A438 HydrophobicContact CD1-CB 4.2Å; Q434-A438 VanDerWaalsContact O-CB 3.26Å; Q434-A438 WeakPolarHBondContact O-CB 3.47Å; Q434-A438 PolarHBondContact O-N 2.77Å; V435-A438 PolarHBondContact O-N 3.46Å; A438-V440 VanDerWaalsContact C-N 3.28Å; A438-V440 PolarHBondContact O-N 2.88Å; A438-M442 HydrophobicContact CB-CG 4.46Å; A438-M442 HydrophobicContact CB-SD 3.67Å; A438-M442 WeakPolarHBondContact O-CB 3.43Å; A438-M442 PolarHBondContact O-N 3.2Å; A438-M442 VanDerWaalsContact O-N 3.17Å; A438-K446 HydrophobicContact CB-CB 3.94Å; A438-F449 HydrophobicContact CB-CD1 4.09Å; A438-F449 HydrophobicContact CB-CE1 4.45Å
439	E	98.5	Very high	95.9	Very high	46 Å²	46	21.3 Å²	21.3	22%	0.215	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-33.9	176.3	-74.3	-59.7	143	0	0	113.3	V435 K446 Y450 F465 I468	V435-E439 HydrophobicContact CG1-CG 4.2Å; V435-E439 WeakPolarHBondContact O-CB 3.21Å; V435-E439 WeakPolarHBondContact O-CG 3.33Å; V435-E439 PolarHBondContact O-N 3.08Å; E439-K446 IonicContact OE1-NZ 3.73Å; E439-K446 PolarHBondContact OE1-NZ 3.3Å; E439-K446 IonicContact OE2-NZ 2.71Å; E439-K446 PolarHBondContact OE2-NZ 3.02Å; E439-Y450 WeakPolarHBondContact CG-OH 3.38Å; E439-Y450 WeakPolarHBondContact OE1-CE2 3.29Å; E439-Y450 PolarHBondContact OE1-OH 3.11Å; E439-F465 HydrophobicContact CG-CE1 4.14Å; E439-F465 HydrophobicContact CG-CE2 4.08Å; E439-F465 HydrophobicContact CG-CZ 3.82Å; E439-I468 HydrophobicContact CB-CD1 3.64Å
440	V	98.8	Very high	96	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-87.3	-39.1	-176.8	179.2	0	0	0	0	112.2	R436 L437 A438 I468 R471 V472 R475	R436-V440 VanDerWaalsContact O-CG2 3.28Å; R436-V440 WeakPolarHBondContact O-CG2 3.4Å; R436-V440 PolarHBondContact O-N 3.28Å; L437-V440 PolarHBondContact O-N 2.95Å; A438-V440 VanDerWaalsContact C-N 3.28Å; A438-V440 PolarHBondContact O-N 2.88Å; V440-I468 HydrophobicContact CG2-CB 3.97Å; V440-I468 HydrophobicContact CG2-CD1 4.01Å; V440-I468 HydrophobicContact CG2-CG2 4.27Å; V440-R471 HydrophobicContact CB-CB 4.48Å; V440-R471 HydrophobicContact CG1-CB 3.92Å; V440-R471 HydrophobicContact CG2-CB 3.74Å; V440-V472 HydrophobicContact CG2-CG2 4.45Å; V440-R475 WeakPolarHBondContact O-CD 3.34Å; V440-R475 PolarHBondContact O-NH1 3.16Å
441	W	98.8	Very high	96	Very high	1 Å²	1	21 Å²	21	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-115.5	-23.5	-163	-62.8	107.2	0	0	0	115.3	E391 F394 R395 Q398 C399 L437 R475 C480 F483	E391-W441 PolarHBondContact OE1-NE1 3.16Å; F394-W441 HydrophobicContact CB-CB 4.07Å; F394-W441 HydrophobicContact CB-CG 4.31Å; F394-W441 HydrophobicContact CD2-CB 4.16Å; R395-W441 HydrophobicContact CB-CD2 4.22Å; R395-W441 HydrophobicContact CB-CE3 4.33Å; R395-W441 HydrophobicContact CB-CH2 3.79Å; R395-W441 HydrophobicContact CB-CZ2 3.64Å; R395-W441 HydrophobicContact CB-CZ3 4.11Å; R395-W441 VanDerWaalsContact CD-CZ2 3.45Å; R395-W441 HydrophobicContact CG-CH2 3.55Å; R395-W441 HydrophobicContact CG-CZ2 3.6Å; R395-W441 HydrophobicContact CG-CZ3 4.23Å; Q398-W441 HydrophobicContact CB-CE3 4.43Å; Q398-W441 HydrophobicContact CB-CZ3 4.43Å; Q398-W441 PolarHBondContact NE2-O 2.88Å; Q398-W441 VanDerWaalsContact NE2-O 3.14Å; Q398-W441 PolarHBondContact OE1-O 3.45Å; C399-W441 VanDerWaalsContact SG-CZ3 3.56Å; L437-W441 WeakPolarHBondContact O-CB 3.27Å; L437-W441 PolarHBondContact O-N 2.92Å; W441-R475 HydrophobicContact CE3-CG 4.35Å; W441-R475 HydrophobicContact CH2-CB 3.89Å; W441-R475 HydrophobicContact CH2-CG 4.04Å; W441-R475 HydrophobicContact CZ3-CB 4.12Å; W441-R475 HydrophobicContact CZ3-CG 3.73Å; W441-C480 HydrophobicContact CZ3-CB 4.11Å; W441-F483 WeakPolarHBondContact O-CB 3.01Å; W441-F483 WeakPolarHBondContact O-CD2 3.41Å
442	M	98.5	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.098	C	C	.	.			trans	-94.7	-1.8	-168.2	-66.5	179	70.3	0	0	115.3	W331 L333 F394 L437 A438 E444 Y445 K446 F483	W331-M442 HydrophobicContact CE3-CE 4.36Å; W331-M442 HydrophobicContact CZ3-CE 4.05Å; L333-M442 HydrophobicContact CD1-SD 3.84Å; L333-M442 HydrophobicContact CD2-CE 3.89Å; L333-M442 HydrophobicContact CD2-SD 3.65Å; L333-M442 HydrophobicContact CG-SD 4.31Å; F394-M442 HydrophobicContact CD2-CG 4.33Å; F394-M442 HydrophobicContact CE2-CG 3.96Å; F394-M442 HydrophobicContact CE2-SD 4.28Å; L437-M442 HydrophobicContact CD1-CG 4.46Å; L437-M442 HydrophobicContact CD1-SD 4.05Å; A438-M442 HydrophobicContact CB-CG 4.46Å; A438-M442 HydrophobicContact CB-SD 3.67Å; A438-M442 WeakPolarHBondContact O-CB 3.43Å; A438-M442 PolarHBondContact O-N 3.2Å; A438-M442 VanDerWaalsContact O-N 3.17Å; M442-E444 PolarHBondContact O-N 3.47Å; M442-Y445 VanDerWaalsContact O-CB 3.3Å; M442-Y445 WeakPolarHBondContact O-CB 3.37Å; M442-Y445 WeakPolarHBondContact O-CD2 3.2Å; M442-Y445 PolarHBondContact O-N 3.2Å; M442-K446 HydrophobicContact CB-CB 4.1Å; M442-F483 HydrophobicContact CB-CD1 4.45Å; M442-F483 HydrophobicContact CB-CG 4.4Å; M442-F483 HydrophobicContact CE-CE1 4.29Å; M442-F483 HydrophobicContact CE-CZ 4.36Å; M442-F483 HydrophobicContact CG-CD2 4.27Å; M442-F483 HydrophobicContact CG-CE1 4.38Å; M442-F483 HydrophobicContact CG-CE2 4.04Å; M442-F483 HydrophobicContact CG-CZ 4.08Å
443	D	98.3	Very high	95.2	Very high	42 Å²	42	22.1 Å²	22.1	23%	0.225	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	50.4	-131	-179.9	-56.9	-34.4	0	0	0	111.9	Y445 K446 R475 S482 F483	D443-Y445 VanDerWaalsContact C-N 3.25Å; D443-Y445 PolarHBondContact O-N 3.34Å; D443-K446 WeakPolarHBondContact O-CD 3.42Å; D443-K446 VanDerWaalsContact O-CG 3.26Å; D443-K446 WeakPolarHBondContact O-CG 3.2Å; D443-R475 VanDerWaalsContact CG-NH2 3.3Å; D443-R475 IonicContact OD1-CZ 3.47Å; D443-R475 IonicContact OD1-NH1 3.63Å; D443-R475 PolarHBondContact OD1-NH1 2.6Å; D443-R475 IonicContact OD1-NH2 2.99Å; D443-R475 PolarHBondContact OD1-NH2 3Å; D443-R475 IonicContact OD2-NH2 3.68Å; D443-R475 PolarHBondContact OD2-NH2 2.84Å; D443-S482 VanDerWaalsContact OD2-CA 3.28Å; D443-S482 WeakPolarHBondContact OD2-CA 3.26Å; D443-S482 VanDerWaalsContact OD2-CB 3.31Å; D443-S482 WeakPolarHBondContact OD2-CB 3.04Å; D443-F483 HydrophobicContact CB-CB 4.38Å; D443-F483 PolarHBondContact OD2-N 2.89Å
444	E	96.8	Very high	94.6	Very high	98 Å²	98	26.6 Å²	26.6	46%	0.458	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-68.7	-18.1	176.2	65	-87.5	-158.4	0	0	114.3	M442 K446 E447 L499	M442-E444 PolarHBondContact O-N 3.47Å; E444-K446 PolarHBondContact O-N 3.17Å; E444-E447 PolarHBondContact O-N 3.15Å; E444-L499 HydrophobicContact CG-CD1 3.93Å; E444-L499 HydrophobicContact CG-CD2 4.01Å
445	Y	96.3	Very high	94.1	Very high	20 Å²	20	30.2 Å²	30.2	8%	0.078	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-75.4	-13.3	-175.7	-59.2	-96.5	0	0	0	112.9	W331 M442 D443 E447 I448 F483 S484 L487 M496 L499	W331-Y445 HydrophobicContact CH2-CD1 4.14Å; M442-Y445 VanDerWaalsContact O-CB 3.3Å; M442-Y445 WeakPolarHBondContact O-CB 3.37Å; M442-Y445 WeakPolarHBondContact O-CD2 3.2Å; M442-Y445 PolarHBondContact O-N 3.2Å; D443-Y445 VanDerWaalsContact C-N 3.25Å; D443-Y445 PolarHBondContact O-N 3.34Å; Y445-E447 PolarHBondContact O-N 3.06Å; Y445-I448 HydrophobicContact CD1-CD1 4.14Å; Y445-I448 VanDerWaalsContact O-CB 3.3Å; Y445-I448 WeakPolarHBondContact O-CB 3.46Å; Y445-I448 PolarHBondContact O-N 2.95Å; Y445-I448 VanDerWaalsContact O-N 3.1Å; Y445-F483 HydrophobicContact CD1-CD1 4.43Å; Y445-F483 HydrophobicContact CD2-CB 4.05Å; Y445-F483 AromaticContact CD2-CD1 3.6Å; Y445-F483 HydrophobicContact CD2-CD1 3.6Å; Y445-F483 HydrophobicContact CD2-CG 4.31Å; Y445-F483 HydrophobicContact CE2-CB 4.46Å; Y445-F483 HydrophobicContact CE2-CD1 4.33Å; Y445-F483 AromaticContact CG-CD1 3.65Å; Y445-F483 HydrophobicContact CG-CD1 3.65Å; Y445-F483 HydrophobicContact CG-CE1 4.23Å; Y445-S484 WeakPolarHBondContact OH-CB 3.22Å; Y445-S484 PolarHBondContact OH-OG 3.42Å; Y445-L487 HydrophobicContact CD1-CD1 3.62Å; Y445-L487 HydrophobicContact CD2-CD1 4.46Å; Y445-L487 HydrophobicContact CE1-CD1 3.4Å; Y445-L487 HydrophobicContact CE2-CD1 4.28Å; Y445-L487 HydrophobicContact CG-CD1 4.16Å; Y445-M496 HydrophobicContact CE1-SD 4.33Å; Y445-L499 HydrophobicContact CD1-CD2 3.69Å; Y445-L499 HydrophobicContact CD1-CG 4.36Å; Y445-L499 HydrophobicContact CE1-CD1 4.25Å; Y445-L499 HydrophobicContact CE1-CD2 4.12Å; Y445-L499 HydrophobicContact CE1-CG 4.35Å; Y445-L499 HydrophobicContact CG-CD2 4.02Å
446	K	96.6	Very high	93.8	Very high	42 Å²	42	30.2 Å²	30.2	18%	0.183	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-26.1	172.5	68.5	-168.9	177.3	178.5	0	113.1	A438 E439 M442 D443 E444 I448 F449 Y450	A438-K446 HydrophobicContact CB-CB 3.94Å; E439-K446 IonicContact OE1-NZ 3.73Å; E439-K446 PolarHBondContact OE1-NZ 3.3Å; E439-K446 IonicContact OE2-NZ 2.71Å; E439-K446 PolarHBondContact OE2-NZ 3.02Å; M442-K446 HydrophobicContact CB-CB 4.1Å; D443-K446 WeakPolarHBondContact O-CD 3.42Å; D443-K446 VanDerWaalsContact O-CG 3.26Å; D443-K446 WeakPolarHBondContact O-CG 3.2Å; E444-K446 PolarHBondContact O-N 3.17Å; K446-I448 PolarHBondContact O-N 3.27Å; K446-F449 WeakPolarHBondContact O-CB 3.39Å; K446-F449 PolarHBondContact O-N 2.77Å; K446-F449 VanDerWaalsContact O-N 3.12Å; K446-Y450 HydrophobicContact CB-CE2 4.02Å; K446-Y450 HydrophobicContact CD-CE2 3.94Å; K446-Y450 HydrophobicContact CG-CD2 4.26Å; K446-Y450 HydrophobicContact CG-CE2 3.74Å; K446-Y450 WeakPolarHBondContact O-CD2 3.47Å; K446-Y450 PolarHBondContact O-N 3.09Å
447	E	94.5	Very high	93.5	Very high	91 Å²	91	31.2 Å²	31.2	43%	0.425	15%	0.149	S	C	.	.	H	α-helix	trans	-63.9	-30.8	177.3	-61.2	-54.9	143.8	0	0	112.1	E444 Y445 F449 Y450 R451	E444-E447 PolarHBondContact O-N 3.15Å; Y445-E447 PolarHBondContact O-N 3.06Å; E447-F449 VanDerWaalsContact C-N 3.34Å; E447-Y450 PolarHBondContact O-N 3.49Å; E447-R451 WeakPolarHBondContact O-CG 3.45Å; E447-R451 PolarHBondContact O-N 2.99Å
448	I	91.6	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-45.3	174.2	-60.1	-179.9	0	0	0	109.8	W331 Y445 K446 R452 P497 L499	W331-I448 HydrophobicContact CB-CG2 3.96Å; W331-I448 HydrophobicContact CD2-CB 4.46Å; W331-I448 HydrophobicContact CD2-CG2 3.56Å; W331-I448 HydrophobicContact CE3-CB 3.83Å; W331-I448 HydrophobicContact CE3-CD1 4.22Å; W331-I448 HydrophobicContact CE3-CG2 3.4Å; W331-I448 VanDerWaalsContact CE3-CG2 3.4Å; W331-I448 HydrophobicContact CG-CG2 3.81Å; W331-I448 HydrophobicContact CH2-CD1 3.94Å; W331-I448 HydrophobicContact CZ2-CD1 4.41Å; W331-I448 HydrophobicContact CZ3-CB 4.13Å; W331-I448 HydrophobicContact CZ3-CD1 3.85Å; W331-I448 HydrophobicContact CZ3-CG2 4.08Å; Y445-I448 HydrophobicContact CD1-CD1 4.14Å; Y445-I448 VanDerWaalsContact O-CB 3.3Å; Y445-I448 WeakPolarHBondContact O-CB 3.46Å; Y445-I448 PolarHBondContact O-N 2.95Å; Y445-I448 VanDerWaalsContact O-N 3.1Å; K446-I448 PolarHBondContact O-N 3.27Å; I448-R452 PolarHBondContact O-NH1 2.89Å; I448-P497 HydrophobicContact CD1-CB 4.45Å; I448-P497 HydrophobicContact CG2-CB 4.03Å; I448-P497 HydrophobicContact CG2-CG 3.79Å; I448-L499 HydrophobicContact CD1-CD2 3.89Å; I448-L499 HydrophobicContact CD1-CG 4.49Å; I448-L499 HydrophobicContact CG1-CD2 4.14Å
449	F	92.4	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-46.9	175.8	163.7	-117.2	0	0	0	111.9	W331 L333 Q434 V435 A438 K446 E447 R451 R452 N453 A456	W331-F449 WeakPolarHBondContact O-CA 3.37Å; L333-F449 HydrophobicContact CB-CD2 4.39Å; L333-F449 HydrophobicContact CB-CE2 4.36Å; L333-F449 HydrophobicContact CD1-CB 4.3Å; L333-F449 HydrophobicContact CD1-CD1 3.74Å; L333-F449 HydrophobicContact CD1-CD2 3.77Å; L333-F449 HydrophobicContact CD1-CE1 3.9Å; L333-F449 HydrophobicContact CD1-CE2 3.95Å; L333-F449 HydrophobicContact CD1-CG 3.66Å; L333-F449 HydrophobicContact CD1-CZ 4.02Å; L333-F449 HydrophobicContact CG-CB 4.41Å; L333-F449 HydrophobicContact CG-CD2 3.8Å; L333-F449 HydrophobicContact CG-CE2 4.18Å; L333-F449 HydrophobicContact CG-CG 4.03Å; Q434-F449 HydrophobicContact CB-CE1 4.18Å; Q434-F449 HydrophobicContact CB-CE2 4.37Å; Q434-F449 HydrophobicContact CB-CZ 3.65Å; V435-F449 HydrophobicContact CG2-CE1 4.24Å; A438-F449 HydrophobicContact CB-CD1 4.09Å; A438-F449 HydrophobicContact CB-CE1 4.45Å; K446-F449 WeakPolarHBondContact O-CB 3.39Å; K446-F449 PolarHBondContact O-N 2.77Å; K446-F449 VanDerWaalsContact O-N 3.12Å; E447-F449 VanDerWaalsContact C-N 3.34Å; F449-R451 VanDerWaalsContact C-N 3.33Å; F449-R451 PolarHBondContact O-N 3.47Å; F449-R452 PolarHBondContact O-N 3.43Å; F449-R452 VanDerWaalsContact O-N 3.1Å; F449-N453 HydrophobicContact CD2-CB 4.36Å; F449-N453 HydrophobicContact CE2-CB 3.9Å; F449-N453 HydrophobicContact CZ-CB 4.34Å; F449-N453 PolarHBondContact O-N 2.95Å; F449-A456 HydrophobicContact CD1-CB 4.41Å; F449-A456 HydrophobicContact CE1-CB 3.47Å; F449-A456 VanDerWaalsContact CE1-CB 3.47Å; F449-A456 HydrophobicContact CE2-CB 4.28Å; F449-A456 HydrophobicContact CZ-CB 3.38Å
450	Y	92.2	Very high	92.9	Very high	13 Å²	13	34.5 Å²	34.5	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-36.4	-178.9	-65.3	-26.7	0	0	0	113.3	V435 E439 K446 E447 R452 N453 A456 A457 A460	V435-Y450 HydrophobicContact CG1-CE1 4.43Å; V435-Y450 HydrophobicContact CG2-CE1 4.11Å; E439-Y450 WeakPolarHBondContact CG-OH 3.38Å; E439-Y450 WeakPolarHBondContact OE1-CE2 3.29Å; E439-Y450 PolarHBondContact OE1-OH 3.11Å; K446-Y450 HydrophobicContact CB-CE2 4.02Å; K446-Y450 HydrophobicContact CD-CE2 3.94Å; K446-Y450 HydrophobicContact CG-CD2 4.26Å; K446-Y450 HydrophobicContact CG-CE2 3.74Å; K446-Y450 WeakPolarHBondContact O-CD2 3.47Å; K446-Y450 PolarHBondContact O-N 3.09Å; E447-Y450 PolarHBondContact O-N 3.49Å; Y450-R452 VanDerWaalsContact C-N 3.28Å; Y450-R452 PolarHBondContact O-N 3.31Å; Y450-N453 CarbonylContact O-C 3.49Å; Y450-N453 PolarHBondContact O-N 3.5Å; Y450-A456 HydrophobicContact CD1-CB 4.1Å; Y450-A456 HydrophobicContact CE1-CB 4.4Å; Y450-A457 HydrophobicContact CG-CB 4.48Å; Y450-A457 WeakPolarHBondContact O-CB 3.45Å; Y450-A460 HydrophobicContact CD1-CB 4.5Å; Y450-A460 HydrophobicContact CD2-CB 4.46Å; Y450-A460 HydrophobicContact CE1-CB 3.91Å; Y450-A460 HydrophobicContact CE2-CB 3.82Å
451	R	88.4	Confident	92.7	Very high	25 Å²	25	42.1 Å²	42.1	9%	0.094	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-34.6	175.1	-73.3	-165.5	-62.1	-99.8	1.7	113.3	E447 F449 D498 L499 F504 Y541 E543	E447-R451 WeakPolarHBondContact O-CG 3.45Å; E447-R451 PolarHBondContact O-N 2.99Å; F449-R451 VanDerWaalsContact C-N 3.33Å; F449-R451 PolarHBondContact O-N 3.47Å; R451-D498 PolarHBondContact NH2-O 3.31Å; R451-L499 PolarHBondContact NH1-O 2.91Å; R451-L499 PolarHBondContact NH2-O 3.25Å; R451-F504 HydrophobicContact CG-CD2 4.33Å; R451-F504 HydrophobicContact CG-CE2 4.08Å; R451-F504 HydrophobicContact CG-CZ 4.33Å; R451-Y541 HydrophobicContact CB-CE2 4.35Å; R451-Y541 WeakPolarHBondContact CB-OH 3.19Å; R451-Y541 WeakPolarHBondContact O-CE2 3.25Å; R451-E543 IonicContact NE-OE1 3.99Å; R451-E543 IonicContact NH2-OE1 3.11Å
452	R	85.4	Confident	92.5	Very high	24 Å²	24	46.4 Å²	46.4	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-81.4	-27.2	-179	-66.8	170.6	175.5	61.1	6.5	112.7	I448 F449 Y450 P497 Y541 E543 N553 I554	I448-R452 PolarHBondContact O-NH1 2.89Å; F449-R452 PolarHBondContact O-N 3.43Å; F449-R452 VanDerWaalsContact O-N 3.1Å; Y450-R452 VanDerWaalsContact C-N 3.28Å; Y450-R452 PolarHBondContact O-N 3.31Å; R452-P497 VanDerWaalsContact NH2-CB 3.33Å; R452-P497 VanDerWaalsContact NH2-CG 3.29Å; R452-Y541 HydrophobicContact CG-CE1 4.38Å; R452-E543 IonicContact CZ-OE1 3.63Å; R452-E543 IonicContact NH1-OE1 2.73Å; R452-E543 PolarHBondContact NH1-OE1 3Å; R452-E543 IonicContact NH2-OE1 2.7Å; R452-E543 PolarHBondContact NH2-OE1 3.46Å; R452-E543 VanDerWaalsContact NH2-OE1 3.15Å; R452-E543 IonicContact NH2-OE2 3.79Å; R452-E543 PolarHBondContact NH2-OE2 3.2Å; R452-N553 PolarHBondContact NE-O 2.87Å; R452-N553 PolarHBondContact NH2-ND2 2.97Å; R452-N553 PolarHBondContact NH2-OD1 3.45Å; R452-N553 VanDerWaalsContact NH2-OD1 3.16Å; R452-I554 HydrophobicContact CB-CD1 3.99Å; R452-I554 HydrophobicContact CG-CD1 3.9Å
453	N	85.7	Confident	92.2	Very high	40 Å²	40	56.2 Å²	56.2	21%	0.214	26%	0.259	C	S	.	.			trans	-122.8	92	-178.7	-170.1	-30.3	0	0	0	110.9	F449 Y450 Q455 A456 A457	F449-N453 HydrophobicContact CD2-CB 4.36Å; F449-N453 HydrophobicContact CE2-CB 3.9Å; F449-N453 HydrophobicContact CZ-CB 4.34Å; F449-N453 PolarHBondContact O-N 2.95Å; Y450-N453 CarbonylContact O-C 3.49Å; Y450-N453 PolarHBondContact O-N 3.5Å; N453-Q455 PolarHBondContact O-N 3.47Å; N453-Q455 WeakPolarHBondContact OD1-CB 3.33Å; N453-Q455 PolarHBondContact OD1-N 3.03Å; N453-A456 HydrophobicContact CB-CB 3.88Å; N453-A456 WeakPolarHBondContact O-CB 3.48Å; N453-A456 PolarHBondContact O-N 3.17Å; N453-A456 VanDerWaalsContact O-N 3.07Å; N453-A456 PolarHBondContact OD1-N 2.84Å; N453-A457 PolarHBondContact O-N 3.03Å
454	Q	83.4	Confident	92	Very high	93 Å²	93	59.1 Å²	59.1	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-35.9	179.8	-69.4	-63.4	-34.1	0	0	112.6	A457 Q458	Q454-A457 PolarHBondContact O-N 3.37Å; Q454-Q458 WeakPolarHBondContact O-CG 3.21Å; Q454-Q458 PolarHBondContact O-N 3.07Å
455	Q	87.3	Confident	91.9	Very high	94 Å²	94	55.4 Å²	55.4	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176.9	-173.4	-178.2	28.8	0	0	111.2	N453 M459	N453-Q455 PolarHBondContact O-N 3.47Å; N453-Q455 WeakPolarHBondContact OD1-CB 3.33Å; N453-Q455 PolarHBondContact OD1-N 3.03Å; Q455-M459 WeakPolarHBondContact O-CB 3.33Å; Q455-M459 PolarHBondContact O-N 3.26Å
456	A	91.6	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-43.9	175.6	0	0	0	0	0	111.8	V435 F449 Y450 N453 Q458 M459 A460	V435-A456 HydrophobicContact CG2-CB 3.63Å; F449-A456 HydrophobicContact CD1-CB 4.41Å; F449-A456 HydrophobicContact CE1-CB 3.47Å; F449-A456 VanDerWaalsContact CE1-CB 3.47Å; F449-A456 HydrophobicContact CE2-CB 4.28Å; F449-A456 HydrophobicContact CZ-CB 3.38Å; Y450-A456 HydrophobicContact CD1-CB 4.1Å; Y450-A456 HydrophobicContact CE1-CB 4.4Å; N453-A456 HydrophobicContact CB-CB 3.88Å; N453-A456 WeakPolarHBondContact O-CB 3.48Å; N453-A456 PolarHBondContact O-N 3.17Å; N453-A456 VanDerWaalsContact O-N 3.07Å; N453-A456 PolarHBondContact OD1-N 2.84Å; A456-Q458 PolarHBondContact O-N 2.99Å; A456-M459 WeakPolarHBondContact O-CB 3.47Å; A456-M459 PolarHBondContact O-N 3.22Å; A456-A460 WeakPolarHBondContact O-CB 3.43Å; A456-A460 PolarHBondContact O-N 3.39Å
457	A	92.3	Very high	91.9	Very high	23 Å²	23	59.3 Å²	59.3	19%	0.19	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-47	176.6	0	0	0	0	0	112.5	Y450 N453 Q454 M459 A460 K461	Y450-A457 HydrophobicContact CG-CB 4.48Å; Y450-A457 WeakPolarHBondContact O-CB 3.45Å; N453-A457 PolarHBondContact O-N 3.03Å; Q454-A457 PolarHBondContact O-N 3.37Å; A457-M459 VanDerWaalsContact C-N 3.32Å; A457-M459 PolarHBondContact O-N 2.96Å; A457-A460 PolarHBondContact O-N 3.49Å; A457-K461 WeakPolarHBondContact O-CB 3.43Å; A457-K461 PolarHBondContact O-N 3.04Å
458	Q	92.3	Very high	92	Very high	93 Å²	93	56.2 Å²	56.2	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-39.4	176.6	-66.8	-56.5	-32	0	0	111.6	Q454 A456 K461 N462	Q454-Q458 WeakPolarHBondContact O-CG 3.21Å; Q454-Q458 PolarHBondContact O-N 3.07Å; A456-Q458 PolarHBondContact O-N 2.99Å; Q458-K461 PolarHBondContact O-N 2.73Å; Q458-N462 VanDerWaalsContact O-CB 3.29Å; Q458-N462 WeakPolarHBondContact O-CB 3.34Å; Q458-N462 PolarHBondContact O-N 3.41Å; Q458-N462 PolarHBondContact O-ND2 3.4Å
459	M	93.9	Very high	92.3	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.039	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-42.5	177.4	-169.6	-174	-60.3	0	0	112.3	Q428 A431 R432 V435 Q455 A456 A457 N462 R463 N464 F465	Q428-M459 HydrophobicContact CG-CE 3.59Å; A431-M459 HydrophobicContact CB-CE 4.41Å; R432-M459 WeakPolarHBondContact CA-SD 3.42Å; R432-M459 HydrophobicContact CB-CE 3.83Å; R432-M459 HydrophobicContact CB-SD 3.58Å; R432-M459 VanDerWaalsContact CB-SD 3.58Å; R432-M459 HydrophobicContact CG-SD 3.86Å; V435-M459 HydrophobicContact CB-SD 4.41Å; V435-M459 HydrophobicContact CG2-CB 4.36Å; V435-M459 HydrophobicContact CG2-SD 4.19Å; Q455-M459 WeakPolarHBondContact O-CB 3.33Å; Q455-M459 PolarHBondContact O-N 3.26Å; A456-M459 WeakPolarHBondContact O-CB 3.47Å; A456-M459 PolarHBondContact O-N 3.22Å; A457-M459 VanDerWaalsContact C-N 3.32Å; A457-M459 PolarHBondContact O-N 2.96Å; M459-N462 PolarHBondContact O-N 3.37Å; M459-R463 PolarHBondContact O-N 3Å; M459-N464 HydrophobicContact CG-CB 3.82Å; M459-N464 PolarHBondContact O-N 3.41Å; M459-F465 HydrophobicContact CG-CB 4.45Å; M459-F465 HydrophobicContact SD-CB 4.21Å
460	A	94.9	Very high	92.6	Very high	15 Å²	15	64.8 Å²	64.8	12%	0.124	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-49.5	175.3	0	0	0	0	0	111.2	V435 Y450 A456 A457 N462 R463	V435-A460 HydrophobicContact CG1-CB 4.04Å; Y450-A460 HydrophobicContact CD1-CB 4.5Å; Y450-A460 HydrophobicContact CD2-CB 4.46Å; Y450-A460 HydrophobicContact CE1-CB 3.91Å; Y450-A460 HydrophobicContact CE2-CB 3.82Å; A456-A460 WeakPolarHBondContact O-CB 3.43Å; A456-A460 PolarHBondContact O-N 3.39Å; A457-A460 PolarHBondContact O-N 3.49Å; A460-N462 VanDerWaalsContact C-N 3.31Å; A460-N462 PolarHBondContact O-N 3.1Å; A460-R463 PolarHBondContact O-N 3.31Å
461	K	94.6	Very high	92.9	Very high	163 Å²	163	65 Å²	65	71%	0.709	32%	0.32	S	S	*	.	H	α-helix	trans	-57.2	-43.2	177.3	-174.1	178.9	-179.3	-179.5	0	112.5	A457 Q458 R463	A457-K461 WeakPolarHBondContact O-CB 3.43Å; A457-K461 PolarHBondContact O-N 3.04Å; Q458-K461 PolarHBondContact O-N 2.73Å; K461-R463 VanDerWaalsContact C-N 3.28Å; K461-R463 PolarHBondContact O-N 3.02Å
462	N	94.9	Very high	93.4	Very high	91 Å²	91	66.1 Å²	66.1	49%	0.487	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.9	-179.9	-63.7	-22.5	0	0	0	113.4	Q458 M459 A460 N464	Q458-N462 VanDerWaalsContact O-CB 3.29Å; Q458-N462 WeakPolarHBondContact O-CB 3.34Å; Q458-N462 PolarHBondContact O-N 3.41Å; Q458-N462 PolarHBondContact O-ND2 3.4Å; M459-N462 PolarHBondContact O-N 3.37Å; A460-N462 VanDerWaalsContact C-N 3.31Å; A460-N462 PolarHBondContact O-N 3.1Å; N462-N464 PolarHBondContact O-N 3.34Å; N462-N464 PolarHBondContact O-OD1 3.28Å
463	R	92.9	Very high	94	Very high	205 Å²	205	69 Å²	69	77%	0.774	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	31.1	-175.3	-57.8	-174.9	174.5	-144.9	-2.2	114.2	M459 A460 K461 F465	M459-R463 PolarHBondContact O-N 3Å; A460-R463 PolarHBondContact O-N 3.31Å; K461-R463 VanDerWaalsContact C-N 3.28Å; K461-R463 PolarHBondContact O-N 3.02Å; R463-F465 HydrophobicContact CB-CE1 4.41Å; R463-F465 PolarHBondContact O-N 3.36Å
464	N	93.3	Very high	94.7	Very high	104 Å²	104	67.3 Å²	67.3	56%	0.556	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	3.8	-177.7	-74.5	-10.5	0	0	0	113.7	M459 N462 G466	M459-N464 HydrophobicContact CG-CB 3.82Å; M459-N464 PolarHBondContact O-N 3.41Å; N462-N464 PolarHBondContact O-N 3.34Å; N462-N464 PolarHBondContact O-OD1 3.28Å; N464-G466 VanDerWaalsContact C-N 3.27Å; N464-G466 PolarHBondContact O-N 3.26Å
465	F	94.6	Very high	95.4	Very high	19 Å²	19	65 Å²	65	8%	0.083	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.9	176.7	57.3	-94.1	0	0	0	113.6	R432 V435 R436 E439 M459 R463 I468	R432-F465 HydrophobicContact CG-CB 4.49Å; R432-F465 PolarHBondContact NE-O 2.74Å; R432-F465 PolarHBondContact NH2-O 3.16Å; V435-F465 HydrophobicContact CB-CB 4.09Å; V435-F465 HydrophobicContact CG1-CB 3.61Å; V435-F465 HydrophobicContact CG1-CD1 3.4Å; V435-F465 VanDerWaalsContact CG1-CD1 3.4Å; V435-F465 HydrophobicContact CG1-CD2 4.47Å; V435-F465 HydrophobicContact CG1-CE1 4.16Å; V435-F465 HydrophobicContact CG1-CG 3.58Å; R436-F465 WeakPolarHBondContact CD-O 3.38Å; R436-F465 HydrophobicContact CG-CB 4Å; R436-F465 HydrophobicContact CG-CD2 4.37Å; R436-F465 WeakPolarHBondContact CG-O 3.45Å; R436-F465 PolarHBondContact NH1-O 3.09Å; E439-F465 HydrophobicContact CG-CE1 4.14Å; E439-F465 HydrophobicContact CG-CE2 4.08Å; E439-F465 HydrophobicContact CG-CZ 3.82Å; M459-F465 HydrophobicContact CG-CB 4.45Å; M459-F465 HydrophobicContact SD-CB 4.21Å; R463-F465 HydrophobicContact CB-CE1 4.41Å; R463-F465 PolarHBondContact O-N 3.36Å; F465-I468 HydrophobicContact CD2-CG2 3.95Å; F465-I468 HydrophobicContact CE2-CD1 3.96Å; F465-I468 HydrophobicContact CE2-CG1 4.16Å; F465-I468 HydrophobicContact CE2-CG2 3.97Å
466	G	95.6	Very high	95.9	Very high	34 Å²	34	66.9 Å²	66.9	35%	0.351	33%	0.334	S	S	.	.			trans	80.8	177.5	178.7	0	0	0	0	0	113.3	R436 N464	R436-G466 PolarHBondContact NH1-O 3.15Å; N464-G466 VanDerWaalsContact C-N 3.27Å; N464-G466 PolarHBondContact O-N 3.26Å
467	D	97.2	Very high	96.2	Very high	111 Å²	111	75.1 Å²	75.1	59%	0.594	37%	0.365	S	S	*	.			trans	-65.7	136	-176.8	-177.3	27.2	0	0	0	112.5	R436 S469	R436-D467 PolarHBondContact NH1-O 2.86Å; R436-D467 PolarHBondContact NH2-O 2.76Å; D467-S469 VanDerWaalsContact CG-OG 3.26Å; D467-S469 VanDerWaalsContact OD1-CB 3.26Å; D467-S469 WeakPolarHBondContact OD1-CB 3.5Å; D467-S469 PolarHBondContact OD1-N 3.26Å; D467-S469 PolarHBondContact OD1-OG 2.86Å; D467-S469 VanDerWaalsContact OD1-OG 3.13Å; D467-S469 PolarHBondContact OD2-OG 2.84Å
468	I	98.3	Very high	96.5	Very high	26 Å²	26	75.5 Å²	75.5	13%	0.133	36%	0.364	C	S	.	.			trans	-122.3	4.9	178.2	59.5	170.1	0	0	0	112.4	R436 E439 V440 F465 K470 R471 V472	R436-I468 HydrophobicContact CB-CG2 4.47Å; R436-I468 HydrophobicContact CG-CG2 4.38Å; E439-I468 HydrophobicContact CB-CD1 3.64Å; V440-I468 HydrophobicContact CG2-CB 3.97Å; V440-I468 HydrophobicContact CG2-CD1 4.01Å; V440-I468 HydrophobicContact CG2-CG2 4.27Å; F465-I468 HydrophobicContact CD2-CG2 3.95Å; F465-I468 HydrophobicContact CE2-CD1 3.96Å; F465-I468 HydrophobicContact CE2-CG1 4.16Å; F465-I468 HydrophobicContact CE2-CG2 3.97Å; I468-K470 VanDerWaalsContact C-N 3.34Å; I468-K470 PolarHBondContact O-N 3.15Å; I468-R471 WeakPolarHBondContact O-CA 3.44Å; I468-R471 WeakPolarHBondContact O-CB 3.16Å; I468-R471 PolarHBondContact O-N 3.36Å; I468-V472 HydrophobicContact CD1-CG2 4.13Å; I468-V472 HydrophobicContact CG1-CG2 4.19Å; I468-V472 PolarHBondContact O-N 3.35Å
469	S	98.3	Very high	96.8	Very high	48 Å²	48	78.3 Å²	78.3	34%	0.336	38%	0.377	S	S	.	.	H	α-helix	trans	-46.3	-52.6	-177.5	60	0	0	0	0	112.9	D467 R471 V472 D473	D467-S469 VanDerWaalsContact CG-OG 3.26Å; D467-S469 VanDerWaalsContact OD1-CB 3.26Å; D467-S469 WeakPolarHBondContact OD1-CB 3.5Å; D467-S469 PolarHBondContact OD1-N 3.26Å; D467-S469 PolarHBondContact OD1-OG 2.86Å; D467-S469 VanDerWaalsContact OD1-OG 3.13Å; D467-S469 PolarHBondContact OD2-OG 2.84Å; S469-R471 PolarHBondContact O-N 2.84Å; S469-R471 VanDerWaalsContact O-N 3.13Å; S469-V472 PolarHBondContact O-N 2.71Å; S469-V472 VanDerWaalsContact O-N 3.12Å; S469-D473 WeakPolarHBondContact O-CB 3.45Å; S469-D473 VanDerWaalsContact O-CG 3.3Å; S469-D473 PolarHBondContact O-N 3.36Å
470	K	98.4	Very high	97	Very high	131 Å²	131	78.9 Å²	78.9	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-55.8	-33.8	178	-66.2	-172	-178.6	-176.9	0	114	E380 I468 L474	E380-K470 IonicContact OE1-NZ 3.67Å; E380-K470 PolarHBondContact OE1-NZ 3.24Å; I468-K470 VanDerWaalsContact C-N 3.34Å; I468-K470 PolarHBondContact O-N 3.15Å; K470-L474 WeakPolarHBondContact O-CB 3.13Å; K470-L474 PolarHBondContact O-N 3.07Å; K470-L474 VanDerWaalsContact O-N 3.09Å
471	R	98.6	Very high	97.2	Very high	18 Å²	18	81.4 Å²	81.4	7%	0.068	39%	0.389	C	S	.	.	H	α-helix	trans	-79.9	-37.6	-178.9	-54.9	-53.1	-63.1	175.7	-3.7	111	G376 Y378 D379 E391 V440 I468 S469 L474 R475	G376-R471 PolarHBondContact O-NH1 3.38Å; Y378-R471 PolarHBondContact O-NH1 2.89Å; D379-R471 HydrophobicContact CB-CG 4.37Å; E391-R471 IonicContact OE1-CZ 2.68Å; E391-R471 IonicContact OE1-NE 3.57Å; E391-R471 IonicContact OE1-NH2 3.96Å; E391-R471 PolarHBondContact OE1-NH2 2.79Å; E391-R471 IonicContact OE2-NH2 3.62Å; V440-R471 HydrophobicContact CB-CB 4.48Å; V440-R471 HydrophobicContact CG1-CB 3.92Å; V440-R471 HydrophobicContact CG2-CB 3.74Å; I468-R471 WeakPolarHBondContact O-CA 3.44Å; I468-R471 WeakPolarHBondContact O-CB 3.16Å; I468-R471 PolarHBondContact O-N 3.36Å; S469-R471 PolarHBondContact O-N 2.84Å; S469-R471 VanDerWaalsContact O-N 3.13Å; R471-L474 WeakPolarHBondContact O-CB 3.4Å; R471-L474 PolarHBondContact O-N 3.33Å; R471-R475 PolarHBondContact O-N 2.87Å
472	V	98.4	Very high	97.4	Very high	49 Å²	49	76 Å²	76	30%	0.297	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-49	171.6	178.1	0	0	0	0	110.2	V440 I468 S469 L474 R475 E476	V440-V472 HydrophobicContact CG2-CG2 4.45Å; I468-V472 HydrophobicContact CD1-CG2 4.13Å; I468-V472 HydrophobicContact CG1-CG2 4.19Å; I468-V472 PolarHBondContact O-N 3.35Å; S469-V472 PolarHBondContact O-N 2.71Å; S469-V472 VanDerWaalsContact O-N 3.12Å; V472-L474 VanDerWaalsContact C-N 3.27Å; V472-L474 PolarHBondContact O-N 2.93Å; V472-R475 WeakPolarHBondContact O-CB 3.48Å; V472-R475 PolarHBondContact O-N 2.84Å; V472-E476 WeakPolarHBondContact O-CG 3.47Å; V472-E476 PolarHBondContact O-N 3.3Å
473	D	98.6	Very high	97.5	Very high	84 Å²	84	71.7 Å²	71.7	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-38.6	176.5	-68.7	-4.1	0	0	0	111.9	S469 R477	S469-D473 WeakPolarHBondContact O-CB 3.45Å; S469-D473 VanDerWaalsContact O-CG 3.3Å; S469-D473 PolarHBondContact O-N 3.36Å; D473-R477 WeakPolarHBondContact O-CB 3.41Å; D473-R477 VanDerWaalsContact O-CG 3.24Å; D473-R477 WeakPolarHBondContact O-CG 3.31Å; D473-R477 PolarHBondContact O-N 2.81Å
474	L	98.5	Very high	97.7	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-48.6	173.8	175.8	71.5	0	0	0	111.3	K470 R471 V472 E476 R477 L478	K470-L474 WeakPolarHBondContact O-CB 3.13Å; K470-L474 PolarHBondContact O-N 3.07Å; K470-L474 VanDerWaalsContact O-N 3.09Å; R471-L474 WeakPolarHBondContact O-CB 3.4Å; R471-L474 PolarHBondContact O-N 3.33Å; V472-L474 VanDerWaalsContact C-N 3.27Å; V472-L474 PolarHBondContact O-N 2.93Å; L474-E476 VanDerWaalsContact C-N 3.29Å; L474-E476 PolarHBondContact O-N 3.18Å; L474-R477 VanDerWaalsContact CD1-NH2 3.3Å; L474-R477 PolarHBondContact O-N 3.33Å; L474-L478 HydrophobicContact CD1-CD1 3.65Å; L474-L478 HydrophobicContact CD1-CG 4.11Å; L474-L478 HydrophobicContact CG-CD1 4.06Å; L474-L478 WeakPolarHBondContact O-CB 3.44Å; L474-L478 WeakPolarHBondContact O-CG 3.35Å; L474-L478 PolarHBondContact O-N 3.14Å
475	R	98.6	Very high	98	Very high	43 Å²	43	62.3 Å²	62.3	16%	0.162	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-42.1	178.8	-176.1	178.3	178.2	-163.9	-4.6	111.6	V440 W441 D443 R471 V472 Q479 C480	V440-R475 WeakPolarHBondContact O-CD 3.34Å; V440-R475 PolarHBondContact O-NH1 3.16Å; W441-R475 HydrophobicContact CE3-CG 4.35Å; W441-R475 HydrophobicContact CH2-CB 3.89Å; W441-R475 HydrophobicContact CH2-CG 4.04Å; W441-R475 HydrophobicContact CZ3-CB 4.12Å; W441-R475 HydrophobicContact CZ3-CG 3.73Å; D443-R475 VanDerWaalsContact CG-NH2 3.3Å; D443-R475 IonicContact OD1-CZ 3.47Å; D443-R475 IonicContact OD1-NH1 3.63Å; D443-R475 PolarHBondContact OD1-NH1 2.6Å; D443-R475 IonicContact OD1-NH2 2.99Å; D443-R475 PolarHBondContact OD1-NH2 3Å; D443-R475 IonicContact OD2-NH2 3.68Å; D443-R475 PolarHBondContact OD2-NH2 2.84Å; R471-R475 PolarHBondContact O-N 2.87Å; V472-R475 WeakPolarHBondContact O-CB 3.48Å; V472-R475 PolarHBondContact O-N 2.84Å; R475-Q479 PolarHBondContact O-N 3.37Å; R475-C480 HydrophobicContact CG-CB 3.92Å; R475-C480 PolarHBondContact O-N 2.65Å; R475-C480 VanDerWaalsContact O-N 3.14Å; R475-C480 PolarHBondContact O-SG 3.29Å; R475-C480 VanDerWaalsContact O-SG 3.38Å
476	E	98.1	Very high	98.2	Very high	135 Å²	135	61.4 Å²	61.4	63%	0.631	31%	0.307	S	S	*	.	H	α-helix	trans	-68.1	-49.6	177.5	-69.9	-177.6	179.7	0	0	112.3	V472 L474 L478 Q479	V472-E476 WeakPolarHBondContact O-CG 3.47Å; V472-E476 PolarHBondContact O-N 3.3Å; L474-E476 VanDerWaalsContact C-N 3.29Å; L474-E476 PolarHBondContact O-N 3.18Å; E476-L478 VanDerWaalsContact C-N 3.28Å; E476-L478 PolarHBondContact O-N 2.99Å; E476-Q479 PolarHBondContact O-N 3.24Å
477	R	98.1	Very high	98.1	Very high	173 Å²	173	60.2 Å²	60.2	65%	0.653	29%	0.293	S	S	*	.	H	α-helix	trans	-59.6	-38.2	-179.7	-76.8	-175	-55.6	107.2	-1.1	112.8	D473 L474 Q479	D473-R477 WeakPolarHBondContact O-CB 3.41Å; D473-R477 VanDerWaalsContact O-CG 3.24Å; D473-R477 WeakPolarHBondContact O-CG 3.31Å; D473-R477 PolarHBondContact O-N 2.81Å; L474-R477 VanDerWaalsContact CD1-NH2 3.3Å; L474-R477 PolarHBondContact O-N 3.33Å; R477-Q479 VanDerWaalsContact C-N 3.26Å
478	L	97.8	Very high	98	Very high	31 Å²	31	60.2 Å²	60.2	16%	0.162	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.4	178.2	-65.1	-178.7	0	0	0	113.1	I375 C399 L474 E476 C480	I375-L478 HydrophobicContact CD1-CD1 3.74Å; C399-L478 HydrophobicContact CB-CB 4.42Å; C399-L478 HydrophobicContact CB-CD1 4.34Å; L474-L478 HydrophobicContact CD1-CD1 3.65Å; L474-L478 HydrophobicContact CD1-CG 4.11Å; L474-L478 HydrophobicContact CG-CD1 4.06Å; L474-L478 WeakPolarHBondContact O-CB 3.44Å; L474-L478 WeakPolarHBondContact O-CG 3.35Å; L474-L478 PolarHBondContact O-N 3.14Å; E476-L478 VanDerWaalsContact C-N 3.28Å; E476-L478 PolarHBondContact O-N 2.99Å; L478-C480 VanDerWaalsContact CB-SG 3.54Å; L478-C480 PolarHBondContact O-N 3.21Å
479	Q	98.3	Very high	97.9	Very high	152 Å²	152	63.7 Å²	63.7	71%	0.71	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.5	179.9	-56.4	-177.1	-1.7	0	0	112.6	R475 E476 R477	R475-Q479 PolarHBondContact O-N 3.37Å; E476-Q479 PolarHBondContact O-N 3.24Å; R477-Q479 VanDerWaalsContact C-N 3.26Å
480	C	98.6	Very high	97.8	Very high	19 Å²	19	62.2 Å²	62.2	13%	0.128	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-65.6	148.5	-175.1	-48	0	0	0	0	111.4	Q398 C399 W441 R475 L478	Q398-C480 HydrophobicContact CB-CB 4.2Å; Q398-C480 CarbonylContact O-C 3.5Å; Q398-C480 VanDerWaalsContact O-CA 3.29Å; Q398-C480 WeakPolarHBondContact O-CA 3.42Å; C399-C480 HydrophobicContact CB-CB 4Å; C399-C480 WeakPolarHBondContact CB-SG 3.45Å; C399-C480 WeakPolarHBondContact SG-CB 3.5Å; C399-C480 CovalentContact SG-SG 2.03Å; C399-C480 PolarHBondContact SG-SG 2.81Å; W441-C480 HydrophobicContact CZ3-CB 4.11Å; R475-C480 HydrophobicContact CG-CB 3.92Å; R475-C480 PolarHBondContact O-N 2.65Å; R475-C480 VanDerWaalsContact O-N 3.14Å; R475-C480 PolarHBondContact O-SG 3.29Å; R475-C480 VanDerWaalsContact O-SG 3.38Å; L478-C480 VanDerWaalsContact CB-SG 3.54Å; L478-C480 PolarHBondContact O-N 3.21Å
481	K	98.7	Very high	97.7	Very high	69 Å²	69	56.5 Å²	56.5	30%	0.3	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-69.5	161.2	177.8	-58	-55.3	-167.5	-165.2	0	112	I80 Q398 W485	I80-K481 HydrophobicContact CD1-CD 4.03Å; I80-K481 HydrophobicContact CD1-CG 4.4Å; Q398-K481 PolarHBondContact NE2-O 3.22Å; Q398-K481 PolarHBondContact O-N 3.39Å; K481-W485 HydrophobicContact CB-CB 3.85Å; K481-W485 HydrophobicContact CB-CD2 3.56Å; K481-W485 HydrophobicContact CB-CE3 3.53Å; K481-W485 HydrophobicContact CB-CG 3.69Å; K481-W485 HydrophobicContact CB-CZ3 4.33Å; K481-W485 HydrophobicContact CG-CD2 3.67Å; K481-W485 HydrophobicContact CG-CE3 3.89Å; K481-W485 HydrophobicContact CG-CG 3.97Å; K481-W485 HydrophobicContact CG-CZ2 4.48Å; K481-W485 HydrophobicContact CG-CZ3 4.39Å
482	S	98.6	Very high	97.3	Very high	50 Å²	50	58.4 Å²	58.4	35%	0.35	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-70	162.9	174.9	60.6	0	0	0	0	112.3	D443 S484 W485 Y486	D443-S482 VanDerWaalsContact OD2-CA 3.28Å; D443-S482 WeakPolarHBondContact OD2-CA 3.26Å; D443-S482 VanDerWaalsContact OD2-CB 3.31Å; D443-S482 WeakPolarHBondContact OD2-CB 3.04Å; S482-S484 VanDerWaalsContact C-N 3.25Å; S482-S484 PolarHBondContact O-N 2.83Å; S482-W485 WeakPolarHBondContact O-CB 3.34Å; S482-W485 PolarHBondContact O-N 3.2Å; S482-W485 VanDerWaalsContact O-N 3.12Å; S482-W485 PolarHBondContact OG-N 2.74Å; S482-Y486 PolarHBondContact O-N 2.78Å
483	F	98.4	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-33.9	172.8	-158.9	-111.9	0	0	0	111.5	F329 W331 F394 W441 M442 D443 Y445 W485 Y486 L487	F329-F483 HydrophobicContact CE2-CZ 4.32Å; F329-F483 HydrophobicContact CZ-CE1 4.48Å; F329-F483 AromaticContact CZ-CZ 3.82Å; F329-F483 HydrophobicContact CZ-CZ 3.82Å; W331-F483 HydrophobicContact CH2-CE1 4.32Å; W331-F483 HydrophobicContact CZ3-CE1 4.38Å; F394-F483 AromaticContact CD1-CE2 3.97Å; F394-F483 HydrophobicContact CD1-CE2 3.97Å; F394-F483 AromaticContact CD2-CE2 3.74Å; F394-F483 HydrophobicContact CD2-CE2 3.74Å; F394-F483 AromaticContact CE1-CE2 3.86Å; F394-F483 HydrophobicContact CE1-CE2 3.86Å; F394-F483 HydrophobicContact CE1-CZ 4.17Å; F394-F483 AromaticContact CE2-CE2 3.61Å; F394-F483 HydrophobicContact CE2-CE2 3.61Å; F394-F483 AromaticContact CE2-CZ 3.95Å; F394-F483 HydrophobicContact CE2-CZ 3.95Å; F394-F483 AromaticContact CG-CE2 3.92Å; F394-F483 HydrophobicContact CG-CE2 3.92Å; F394-F483 AromaticContact CZ-CE2 3.68Å; F394-F483 HydrophobicContact CZ-CE2 3.68Å; F394-F483 AromaticContact CZ-CZ 3.76Å; F394-F483 HydrophobicContact CZ-CZ 3.76Å; W441-F483 WeakPolarHBondContact O-CB 3.01Å; W441-F483 WeakPolarHBondContact O-CD2 3.41Å; M442-F483 HydrophobicContact CB-CD1 4.45Å; M442-F483 HydrophobicContact CB-CG 4.4Å; M442-F483 HydrophobicContact CE-CE1 4.29Å; M442-F483 HydrophobicContact CE-CZ 4.36Å; M442-F483 HydrophobicContact CG-CD2 4.27Å; M442-F483 HydrophobicContact CG-CE1 4.38Å; M442-F483 HydrophobicContact CG-CE2 4.04Å; M442-F483 HydrophobicContact CG-CZ 4.08Å; D443-F483 HydrophobicContact CB-CB 4.38Å; D443-F483 PolarHBondContact OD2-N 2.89Å; Y445-F483 HydrophobicContact CD1-CD1 4.43Å; Y445-F483 HydrophobicContact CD2-CB 4.05Å; Y445-F483 AromaticContact CD2-CD1 3.6Å; Y445-F483 HydrophobicContact CD2-CD1 3.6Å; Y445-F483 HydrophobicContact CD2-CG 4.31Å; Y445-F483 HydrophobicContact CE2-CB 4.46Å; Y445-F483 HydrophobicContact CE2-CD1 4.33Å; Y445-F483 AromaticContact CG-CD1 3.65Å; Y445-F483 HydrophobicContact CG-CD1 3.65Å; Y445-F483 HydrophobicContact CG-CE1 4.23Å; F483-W485 VanDerWaalsContact C-N 3.25Å; F483-W485 PolarHBondContact O-N 2.97Å; F483-Y486 HydrophobicContact CD2-CD1 4.15Å; F483-Y486 AromaticContact CE2-CD1 3.74Å; F483-Y486 HydrophobicContact CE2-CD1 3.74Å; F483-Y486 HydrophobicContact CE2-CE1 4.13Å; F483-Y486 HydrophobicContact CE2-CG 4.43Å; F483-Y486 HydrophobicContact CZ-CD1 4.1Å; F483-Y486 HydrophobicContact CZ-CE1 4.32Å; F483-Y486 WeakPolarHBondContact O-CA 3.25Å; F483-Y486 WeakPolarHBondContact O-CB 3.46Å; F483-Y486 PolarHBondContact O-N 2.61Å; F483-L487 HydrophobicContact CD1-CD1 3.82Å; F483-L487 HydrophobicContact CD1-CD2 4.36Å; F483-L487 HydrophobicContact CD1-CG 3.99Å; F483-L487 HydrophobicContact CE1-CD1 3.87Å; F483-L487 HydrophobicContact CE1-CD2 3.76Å; F483-L487 HydrophobicContact CE1-CG 3.91Å; F483-L487 HydrophobicContact CZ-CD2 4.12Å; F483-L487 WeakPolarHBondContact O-CG 3.38Å; F483-L487 PolarHBondContact O-N 3.37Å
484	S	97.2	Very high	96.3	Very high	33 Å²	33	55.6 Å²	55.6	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-38.8	171	-168.7	0	0	0	0	112.1	Y445 S482 N488	Y445-S484 WeakPolarHBondContact OH-CB 3.22Å; Y445-S484 PolarHBondContact OH-OG 3.42Å; S482-S484 VanDerWaalsContact C-N 3.25Å; S482-S484 PolarHBondContact O-N 2.83Å; S484-N488 WeakPolarHBondContact O-CB 3.25Å; S484-N488 PolarHBondContact O-N 3.03Å; S484-N488 VanDerWaalsContact O-N 3.1Å; S484-N488 PolarHBondContact O-ND2 3.21Å; S484-N488 PolarHBondContact OG-ND2 3.2Å
485	W	98.3	Very high	95.6	Very high	78 Å²	78	55.5 Å²	55.5	30%	0.295	27%	0.271	S	S	.	.	H	α-helix	trans	-65	-42.5	173	175.5	91.6	0	0	0	111.5	W397 K481 S482 F483 N488 N489 V490	W397-W485 WeakPolarHBondContact O-CZ3 3.37Å; K481-W485 HydrophobicContact CB-CB 3.85Å; K481-W485 HydrophobicContact CB-CD2 3.56Å; K481-W485 HydrophobicContact CB-CE3 3.53Å; K481-W485 HydrophobicContact CB-CG 3.69Å; K481-W485 HydrophobicContact CB-CZ3 4.33Å; K481-W485 HydrophobicContact CG-CD2 3.67Å; K481-W485 HydrophobicContact CG-CE3 3.89Å; K481-W485 HydrophobicContact CG-CG 3.97Å; K481-W485 HydrophobicContact CG-CZ2 4.48Å; K481-W485 HydrophobicContact CG-CZ3 4.39Å; S482-W485 WeakPolarHBondContact O-CB 3.34Å; S482-W485 PolarHBondContact O-N 3.2Å; S482-W485 VanDerWaalsContact O-N 3.12Å; S482-W485 PolarHBondContact OG-N 2.74Å; F483-W485 VanDerWaalsContact C-N 3.25Å; F483-W485 PolarHBondContact O-N 2.97Å; W485-N488 PolarHBondContact O-N 3.18Å; W485-N489 HydrophobicContact CD2-CB 4.32Å; W485-N489 HydrophobicContact CZ2-CB 4.04Å; W485-N489 PolarHBondContact NE1-ND2 3.45Å; W485-N489 WeakPolarHBondContact O-CB 3.28Å; W485-N489 PolarHBondContact O-N 2.82Å; W485-N489 PolarHBondContact O-ND2 2.92Å; W485-V490 HydrophobicContact CH2-CG2 4.18Å; W485-V490 HydrophobicContact CZ3-CG2 3.96Å
486	Y	98.6	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-51.5	177.8	170.5	-92.3	0	0	0	111.3	F329 P358 F394 W397 S482 F483 N488 N489 V490 Y491	F329-Y486 AromaticContact CE1-CE1 3.87Å; F329-Y486 HydrophobicContact CE1-CE1 3.87Å; F329-Y486 HydrophobicContact CZ-CE1 4.43Å; P358-Y486 VanDerWaalsContact C-OH 3.3Å; P358-Y486 PolarHBondContact O-OH 3.46Å; F394-Y486 AromaticContact CD1-CE1 3.97Å; F394-Y486 HydrophobicContact CD1-CE1 3.97Å; F394-Y486 HydrophobicContact CD1-CE2 4.09Å; F394-Y486 AromaticContact CD1-CZ 3.7Å; F394-Y486 AromaticContact CE1-CE1 3.78Å; F394-Y486 HydrophobicContact CE1-CE1 3.78Å; F394-Y486 AromaticContact CE1-CZ 3.77Å; W397-Y486 HydrophobicContact CB-CD2 3.71Å; W397-Y486 HydrophobicContact CB-CE2 3.88Å; W397-Y486 AromaticContact CD1-CE2 3.73Å; W397-Y486 HydrophobicContact CG-CD2 4.21Å; W397-Y486 AromaticContact CG-CE2 3.96Å; W397-Y486 HydrophobicContact CG-CE2 3.96Å; S482-Y486 PolarHBondContact O-N 2.78Å; F483-Y486 HydrophobicContact CD2-CD1 4.15Å; F483-Y486 AromaticContact CE2-CD1 3.74Å; F483-Y486 HydrophobicContact CE2-CD1 3.74Å; F483-Y486 HydrophobicContact CE2-CE1 4.13Å; F483-Y486 HydrophobicContact CE2-CG 4.43Å; F483-Y486 HydrophobicContact CZ-CD1 4.1Å; F483-Y486 HydrophobicContact CZ-CE1 4.32Å; F483-Y486 WeakPolarHBondContact O-CA 3.25Å; F483-Y486 WeakPolarHBondContact O-CB 3.46Å; F483-Y486 PolarHBondContact O-N 2.61Å; Y486-N488 VanDerWaalsContact C-N 3.31Å; Y486-N488 PolarHBondContact O-N 2.88Å; Y486-N489 PolarHBondContact O-N 3.35Å; Y486-V490 HydrophobicContact CD2-CB 3.81Å; Y486-V490 HydrophobicContact CD2-CG1 4.07Å; Y486-V490 HydrophobicContact CD2-CG2 3.89Å; Y486-V490 HydrophobicContact CE2-CB 3.9Å; Y486-V490 HydrophobicContact CE2-CG1 3.65Å; Y486-V490 HydrophobicContact CE2-CG2 4.32Å; Y486-V490 HydrophobicContact CG-CB 4.4Å; Y486-V490 WeakPolarHBondContact O-CA 3.42Å; Y486-V490 VanDerWaalsContact O-CB 3.29Å; Y486-V490 WeakPolarHBondContact O-CB 3.3Å; Y486-V490 PolarHBondContact O-N 3.09Å; Y486-Y491 PolarHBondContact O-N 3.02Å
487	L	95.1	Very high	94.2	Very high	10 Å²	10	50 Å²	50	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-40.4	178.2	-59.7	172.9	0	0	0	111.6	F329 W331 Y445 F483 Y491 P492 V494	F329-L487 HydrophobicContact CZ-CD2 4.26Å; W331-L487 HydrophobicContact CH2-CD1 4.29Å; Y445-L487 HydrophobicContact CD1-CD1 3.62Å; Y445-L487 HydrophobicContact CD2-CD1 4.46Å; Y445-L487 HydrophobicContact CE1-CD1 3.4Å; Y445-L487 HydrophobicContact CE2-CD1 4.28Å; Y445-L487 HydrophobicContact CG-CD1 4.16Å; F483-L487 HydrophobicContact CD1-CD1 3.82Å; F483-L487 HydrophobicContact CD1-CD2 4.36Å; F483-L487 HydrophobicContact CD1-CG 3.99Å; F483-L487 HydrophobicContact CE1-CD1 3.87Å; F483-L487 HydrophobicContact CE1-CD2 3.76Å; F483-L487 HydrophobicContact CE1-CG 3.91Å; F483-L487 HydrophobicContact CZ-CD2 4.12Å; F483-L487 WeakPolarHBondContact O-CG 3.38Å; F483-L487 PolarHBondContact O-N 3.37Å; L487-Y491 CarbonylContact O-C 3.51Å; L487-Y491 VanDerWaalsContact O-O 3.07Å; L487-P492 WeakPolarHBondContact O-CA 3.48Å; L487-V494 HydrophobicContact CD2-CG1 3.8Å
488	N	94.1	Very high	93.6	Very high	110 Å²	110	42.6 Å²	42.6	59%	0.588	22%	0.221	S	C	*	.	H	α-helix	trans	-76.8	-23.1	-178	-74.6	-52.2	0	0	0	115.1	S484 W485 Y486	S484-N488 WeakPolarHBondContact O-CB 3.25Å; S484-N488 PolarHBondContact O-N 3.03Å; S484-N488 VanDerWaalsContact O-N 3.1Å; S484-N488 PolarHBondContact O-ND2 3.21Å; S484-N488 PolarHBondContact OG-ND2 3.2Å; W485-N488 PolarHBondContact O-N 3.18Å; Y486-N488 VanDerWaalsContact C-N 3.31Å; Y486-N488 PolarHBondContact O-N 2.88Å
489	N	96.1	Very high	93	Very high	100 Å²	100	43.3 Å²	43.3	54%	0.535	23%	0.225	S	C	.	.	H	α-helix	trans	-119.1	-25.1	-170.2	-64.5	-100.3	0	0	0	113.8	W485 Y486	W485-N489 HydrophobicContact CD2-CB 4.32Å; W485-N489 HydrophobicContact CZ2-CB 4.04Å; W485-N489 PolarHBondContact NE1-ND2 3.45Å; W485-N489 WeakPolarHBondContact O-CB 3.28Å; W485-N489 PolarHBondContact O-N 2.82Å; W485-N489 PolarHBondContact O-ND2 2.92Å; Y486-N489 PolarHBondContact O-N 3.35Å
490	V	96.9	Very high	92.5	Very high	17 Å²	17	42.4 Å²	42.4	10%	0.103	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-44.2	-177.3	-178.9	0	0	0	0	110.7	W397 W485 Y486 P492	W397-V490 HydrophobicContact CB-CG2 4.1Å; W397-V490 HydrophobicContact CD2-CB 4.35Å; W397-V490 HydrophobicContact CD2-CG1 3.64Å; W397-V490 HydrophobicContact CD2-CG2 3.71Å; W397-V490 HydrophobicContact CE3-CG1 4.27Å; W397-V490 HydrophobicContact CE3-CG2 3.66Å; W397-V490 HydrophobicContact CG-CB 4.49Å; W397-V490 HydrophobicContact CG-CG1 3.81Å; W397-V490 HydrophobicContact CG-CG2 3.94Å; W397-V490 HydrophobicContact CZ2-CG1 4.08Å; W397-V490 HydrophobicContact CZ3-CG2 4.34Å; W485-V490 HydrophobicContact CH2-CG2 4.18Å; W485-V490 HydrophobicContact CZ3-CG2 3.96Å; Y486-V490 HydrophobicContact CD2-CB 3.81Å; Y486-V490 HydrophobicContact CD2-CG1 4.07Å; Y486-V490 HydrophobicContact CD2-CG2 3.89Å; Y486-V490 HydrophobicContact CE2-CB 3.9Å; Y486-V490 HydrophobicContact CE2-CG1 3.65Å; Y486-V490 HydrophobicContact CE2-CG2 4.32Å; Y486-V490 HydrophobicContact CG-CB 4.4Å; Y486-V490 WeakPolarHBondContact O-CA 3.42Å; Y486-V490 VanDerWaalsContact O-CB 3.29Å; Y486-V490 WeakPolarHBondContact O-CB 3.3Å; Y486-V490 PolarHBondContact O-N 3.09Å; V490-P492 VanDerWaalsContact C-CD 3.48Å
491	Y	95.6	Very high	92.1	Very high	11 Å²	11	42.1 Å²	42.1	4%	0.043	22%	0.223	C	C	.	.			trans	-132.7	61.7	-176	-163.7	-164.2	0	0	0	113.3	N328 F329 E338 P358 Y486 L487 E493 V494	N328-Y491 HydrophobicContact CB-CE1 4Å; N328-Y491 VanDerWaalsContact CB-OH 3.27Å; N328-Y491 WeakPolarHBondContact CB-OH 3.39Å; F329-Y491 HydrophobicContact CD1-CD1 4.28Å; F329-Y491 HydrophobicContact CD1-CE1 4.25Å; F329-Y491 AromaticContact CE1-CD1 3.81Å; F329-Y491 HydrophobicContact CE1-CD1 3.81Å; F329-Y491 HydrophobicContact CE1-CE1 4.11Å; E338-Y491 WeakPolarHBondContact OE1-CE2 3.15Å; E338-Y491 PolarHBondContact OE2-OH 3.31Å; P358-Y491 HydrophobicContact CB-CD1 3.84Å; P358-Y491 HydrophobicContact CB-CD2 4.32Å; P358-Y491 HydrophobicContact CB-CE1 4.45Å; P358-Y491 HydrophobicContact CB-CG 3.78Å; P358-Y491 HydrophobicContact CG-CD1 4.13Å; P358-Y491 HydrophobicContact CG-CD2 3.69Å; P358-Y491 HydrophobicContact CG-CE2 4.22Å; P358-Y491 HydrophobicContact CG-CG 3.65Å; Y486-Y491 PolarHBondContact O-N 3.02Å; L487-Y491 CarbonylContact O-C 3.51Å; L487-Y491 VanDerWaalsContact O-O 3.07Å; Y491-E493 HydrophobicContact CD2-CB 4.46Å; Y491-E493 HydrophobicContact CE2-CB 4.3Å; Y491-E493 PolarHBondContact O-N 3.5Å; Y491-V494 HydrophobicContact CD1-CB 3.63Å; Y491-V494 HydrophobicContact CD1-CG1 4.49Å; Y491-V494 HydrophobicContact CD1-CG2 3.85Å; Y491-V494 HydrophobicContact CD2-CB 4.13Å; Y491-V494 HydrophobicContact CE1-CB 3.64Å; Y491-V494 HydrophobicContact CE1-CG2 3.55Å; Y491-V494 HydrophobicContact CE2-CB 4.15Å; Y491-V494 HydrophobicContact CG-CB 3.87Å; Y491-V494 WeakPolarHBondContact O-CB 3.49Å; Y491-V494 WeakPolarHBondContact O-CG1 3.46Å; Y491-V494 PolarHBondContact O-N 3.14Å
492	P	90.9	Very high	91.8	Very high	58 Å²	58	42.3 Å²	42.3	38%	0.377	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.4	-177.7	30.3	-35.6	0	0	0	113.7	L487 V490 V494	L487-P492 WeakPolarHBondContact O-CA 3.48Å; V490-P492 VanDerWaalsContact C-CD 3.48Å; P492-V494 VanDerWaalsContact C-N 3.31Å
493	E	88.2	Confident	91.4	Very high	63 Å²	63	44.3 Å²	44.3	29%	0.294	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.6	176.4	-54	79.5	-163.8	0	0	113.4	R326 P341 H343 Y491 F495	R326-E493 IonicContact CZ-OE2 3.54Å; R326-E493 IonicContact NH1-OE2 3.67Å; R326-E493 IonicContact NH2-OE2 2.71Å; R326-E493 PolarHBondContact NH2-OE2 2.93Å; P341-E493 HydrophobicContact CB-CG 4.07Å; H343-E493 IonicContact CD2-OE1 3.41Å; H343-E493 PolarHBondContact CD2-OE1 3.08Å; H343-E493 IonicContact CE1-OE1 3.61Å; H343-E493 IonicContact NE2-OE1 3.49Å; H343-E493 PolarHBondContact NE2-OE1 3.14Å; Y491-E493 HydrophobicContact CD2-CB 4.46Å; Y491-E493 HydrophobicContact CE2-CB 4.3Å; Y491-E493 PolarHBondContact O-N 3.5Å; E493-F495 PolarHBondContact O-N 3.1Å
494	V	87.9	Confident	91.1	Very high	10 Å²	10	49.1 Å²	49.1	6%	0.061	25%	0.253	C	S	.	.	S	Bend	trans	-60.4	133.5	179.7	71.7	0	0	0	0	110.3	W331 L487 Y491 P492 M496	W331-V494 HydrophobicContact CZ2-CG2 4.42Å; L487-V494 HydrophobicContact CD2-CG1 3.8Å; Y491-V494 HydrophobicContact CD1-CB 3.63Å; Y491-V494 HydrophobicContact CD1-CG1 4.49Å; Y491-V494 HydrophobicContact CD1-CG2 3.85Å; Y491-V494 HydrophobicContact CD2-CB 4.13Å; Y491-V494 HydrophobicContact CE1-CB 3.64Å; Y491-V494 HydrophobicContact CE1-CG2 3.55Å; Y491-V494 HydrophobicContact CE2-CB 4.15Å; Y491-V494 HydrophobicContact CG-CB 3.87Å; Y491-V494 WeakPolarHBondContact O-CB 3.49Å; Y491-V494 WeakPolarHBondContact O-CG1 3.46Å; Y491-V494 PolarHBondContact O-N 3.14Å; P492-V494 VanDerWaalsContact C-N 3.31Å; V494-M496 PolarHBondContact O-N 2.96Å
495	F	83.7	Confident	90.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.018	25%	0.253	C	S	.	.			trans	-61.5	131.6	166.4	171.5	-105.2	0	0	0	109.7	W331 E493 P497 N553 E557 C572 Y574	W331-F495 PolarHBondContact NE1-O 3.4Å; E493-F495 PolarHBondContact O-N 3.1Å; F495-P497 HydrophobicContact CD1-CG 3.91Å; F495-P497 HydrophobicContact CE1-CB 4.41Å; F495-P497 HydrophobicContact CE1-CG 3.71Å; F495-P497 WeakPolarHBondContact O-CD 3.39Å; F495-N553 HydrophobicContact CE1-CB 4.33Å; F495-E557 HydrophobicContact CB-CG 4.13Å; F495-E557 WeakPolarHBondContact CB-OE1 3.21Å; F495-E557 WeakPolarHBondContact CB-OE2 3.44Å; F495-E557 HydrophobicContact CD1-CB 4.2Å; F495-E557 VanDerWaalsContact CD1-CD 3.41Å; F495-E557 HydrophobicContact CD1-CG 3.44Å; F495-E557 VanDerWaalsContact CD1-CG 3.44Å; F495-E557 HydrophobicContact CD2-CB 4.42Å; F495-E557 HydrophobicContact CD2-CG 4.33Å; F495-E557 HydrophobicContact CE1-CB 4.13Å; F495-E557 HydrophobicContact CE1-CG 3.73Å; F495-E557 HydrophobicContact CE2-CB 4.38Å; F495-E557 HydrophobicContact CG-CB 4.32Å; F495-E557 HydrophobicContact CG-CG 3.75Å; F495-E557 VanDerWaalsContact CG-OE2 3.26Å; F495-E557 WeakPolarHBondContact CG-OE2 3.1Å; F495-E557 HydrophobicContact CZ-CB 4.2Å; F495-E557 HydrophobicContact CZ-CG 4.29Å; F495-C572 HydrophobicContact CE2-CB 4.2Å; F495-Y574 WeakPolarHBondContact CE2-O 3.46Å
496	M	83.3	Confident	90.6	Very high	63 Å²	63	46.6 Å²	46.6	31%	0.31	25%	0.251	S	S	.	.			trans	-114.9	100	-175.6	-150.9	-74.1	-55.1	0	0	108.5	Y445 V494	Y445-M496 HydrophobicContact CE1-SD 4.33Å; V494-M496 PolarHBondContact O-N 2.96Å
497	P	84.3	Confident	90.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.			trans	-60.4	153.4	167.8	-17.9	28.9	0	0	0	110.6	W331 I448 R452 F495 L499	W331-P497 HydrophobicContact CD2-CG 4.26Å; W331-P497 VanDerWaalsContact CE2-CD 3.43Å; W331-P497 HydrophobicContact CG-CG 4Å; I448-P497 HydrophobicContact CD1-CB 4.45Å; I448-P497 HydrophobicContact CG2-CB 4.03Å; I448-P497 HydrophobicContact CG2-CG 3.79Å; R452-P497 VanDerWaalsContact NH2-CB 3.33Å; R452-P497 VanDerWaalsContact NH2-CG 3.29Å; F495-P497 HydrophobicContact CD1-CG 3.91Å; F495-P497 HydrophobicContact CE1-CB 4.41Å; F495-P497 HydrophobicContact CE1-CG 3.71Å; F495-P497 WeakPolarHBondContact O-CD 3.39Å; P497-L499 PolarHBondContact O-N 3.04Å
498	D	84.8	Confident	90.6	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.091	26%	0.264	C	S	.	.			trans	-61.6	130.7	176	-68.7	-18.5	0	0	0	110.1	R451 N500 P501 S545 T546	R451-D498 PolarHBondContact NH2-O 3.31Å; D498-N500 PolarHBondContact O-N 2.93Å; D498-P501 HydrophobicContact CB-CB 4.34Å; D498-P501 WeakPolarHBondContact O-CD 3.02Å; D498-S545 WeakPolarHBondContact OD2-CA 3.45Å; D498-S545 WeakPolarHBondContact OD2-CB 3.32Å; D498-T546 VanDerWaalsContact CG-OG1 3.32Å; D498-T546 PolarHBondContact OD1-OG1 2.77Å; D498-T546 WeakPolarHBondContact OD2-CB 3.45Å; D498-T546 WeakPolarHBondContact OD2-CG2 3.38Å; D498-T546 PolarHBondContact OD2-N 2.86Å; D498-T546 PolarHBondContact OD2-OG1 3.33Å
499	L	85.5	Confident	90.8	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.236	24%	0.236	C	C	.	.	S	Bend	trans	-56.5	-38.7	172.4	-79.6	169.2	0	0	0	110.8	E444 Y445 I448 R451 P497	E444-L499 HydrophobicContact CG-CD1 3.93Å; E444-L499 HydrophobicContact CG-CD2 4.01Å; Y445-L499 HydrophobicContact CD1-CD2 3.69Å; Y445-L499 HydrophobicContact CD1-CG 4.36Å; Y445-L499 HydrophobicContact CE1-CD1 4.25Å; Y445-L499 HydrophobicContact CE1-CD2 4.12Å; Y445-L499 HydrophobicContact CE1-CG 4.35Å; Y445-L499 HydrophobicContact CG-CD2 4.02Å; I448-L499 HydrophobicContact CD1-CD2 3.89Å; I448-L499 HydrophobicContact CD1-CG 4.49Å; I448-L499 HydrophobicContact CG1-CD2 4.14Å; R451-L499 PolarHBondContact NH1-O 2.91Å; R451-L499 PolarHBondContact NH2-O 3.25Å; P497-L499 PolarHBondContact O-N 3.04Å
500	N	87.7	Confident	90.7	Very high	134 Å²	134	42.7 Å²	42.7	72%	0.717	23%	0.229	S	C	*	.	S	Bend	trans	-129.9	86.5	176.3	-57.9	-65.1	0	0	0	108.4	D498	D498-N500 PolarHBondContact O-N 2.93Å
501	P	89.8	Confident	90.6	Very high	13 Å²	13	43 Å²	43	8%	0.084	24%	0.235	C	C	.	.			trans	-63.3	155.2	173.3	29.6	-34.1	0	0	0	109.2	D498 F503 F504 E543	D498-P501 HydrophobicContact CB-CB 4.34Å; D498-P501 WeakPolarHBondContact O-CD 3.02Å; P501-F503 VanDerWaalsContact C-N 3.34Å; P501-F504 HydrophobicContact CG-CB 4.11Å; P501-F504 HydrophobicContact CG-CD1 3.92Å; P501-F504 HydrophobicContact CG-CG 4.36Å; P501-E543 HydrophobicContact CB-CB 4.28Å; P501-E543 HydrophobicContact CG-CG 4.43Å
502	V	92.1	Very high	90.5	Very high	73 Å²	73	45.7 Å²	45.7	44%	0.442	25%	0.247	S	C	.	.	S	Bend	trans	-63.9	-45.8	-177.9	-175.9	0	0	0	0	109.9	Y544 T546	V502-Y544 HydrophobicContact CB-CD1 3.92Å; V502-Y544 HydrophobicContact CG1-CD1 4.21Å; V502-Y544 HydrophobicContact CG2-CD1 4.42Å; V502-Y544 PolarHBondContact N-O 2.77Å; V502-T546 HydrophobicContact CG2-CG2 4.13Å
503	F	91.3	Very high	90.6	Very high	92 Å²	92	48.1 Å²	48.1	40%	0.404	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.3	173	-53.5	-68.6	0	0	0	109.7	P501 Y544 L589 F627	P501-F503 VanDerWaalsContact C-N 3.34Å; F503-Y544 AromaticContact CD2-CD1 3.74Å; F503-Y544 HydrophobicContact CD2-CD1 3.74Å; F503-Y544 HydrophobicContact CD2-CG 4.35Å; F503-Y544 HydrophobicContact CE2-CD1 4.23Å; F503-Y544 PolarHBondContact O-N 3.27Å; F503-L589 HydrophobicContact CD2-CD2 4.01Å; F503-L589 HydrophobicContact CE2-CD2 3.76Å; F503-F627 HydrophobicContact CB-CB 3.77Å; F503-F627 HydrophobicContact CB-CD1 3.77Å; F503-F627 HydrophobicContact CB-CD2 4.24Å; F503-F627 HydrophobicContact CB-CE1 4.41Å; F503-F627 HydrophobicContact CB-CG 3.66Å; F503-F627 HydrophobicContact CG-CB 4.22Å; F503-F627 HydrophobicContact CG-CG 4.36Å
504	F	92.3	Very high	91	Very high	100 Å²	100	46.2 Å²	46.2	44%	0.439	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149.6	171.3	66.6	-86.7	0	0	0	109.7	R451 P501 Y541 F542 E543	R451-F504 HydrophobicContact CG-CD2 4.33Å; R451-F504 HydrophobicContact CG-CE2 4.08Å; R451-F504 HydrophobicContact CG-CZ 4.33Å; P501-F504 HydrophobicContact CG-CB 4.11Å; P501-F504 HydrophobicContact CG-CD1 3.92Å; P501-F504 HydrophobicContact CG-CG 4.36Å; F504-Y541 HydrophobicContact CD2-CE2 4.29Å; F504-F542 VanDerWaalsContact CA-O 3.28Å; F504-F542 WeakPolarHBondContact CA-O 3.34Å; F504-E543 HydrophobicContact CB-CG 4.07Å
505	G	91.4	Very high	91.5	Very high	21 Å²	21	45.7 Å²	45.7	22%	0.216	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.1	-148.7	-177.3	0	0	0	0	0	111.7	F542	G505-F542 PolarHBondContact N-O 3.31Å; G505-F542 PolarHBondContact O-N 3.47Å
506	S	93.9	Very high	92.1	Very high	37 Å²	37	45.6 Å²	45.6	26%	0.259	25%	0.246	S	C	.	.			trans	-95.5	130.2	176.7	56.4	0	0	0	0	110.8	K508 Q540 F627	S506-K508 PolarHBondContact O-N 3.47Å; S506-Q540 WeakPolarHBondContact CA-O 3.45Å; S506-F627 VanDerWaalsContact O-OXT 3.12Å
507	V	96.3	Very high	92.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.			trans	-88.9	100.8	178.9	-167	0	0	0	0	109.6	C515 L516 F542 L595 W625 S626 F627	V507-C515 CarbonylContact O-C 3.44Å; V507-C515 WeakPolarHBondContact O-CA 3.44Å; V507-L516 HydrophobicContact CB-CB 4.03Å; V507-L516 HydrophobicContact CB-CD2 4.46Å; V507-L516 PolarHBondContact O-N 3.26Å; V507-F542 HydrophobicContact CG2-CB 3.71Å; V507-F542 HydrophobicContact CG2-CD2 3.94Å; V507-F542 HydrophobicContact CG2-CG 3.94Å; V507-L595 HydrophobicContact CG1-CD1 4.21Å; V507-W625 HydrophobicContact CG1-CB 4.2Å; V507-W625 HydrophobicContact CG1-CE3 3.89Å; V507-S626 CarbonylContact C-O 3.49Å; V507-S626 WeakPolarHBondContact CA-O 3.11Å; V507-F627 HydrophobicContact CG1-CE2 4.34Å; V507-F627 HydrophobicContact CG2-CD1 3.99Å; V507-F627 HydrophobicContact CG2-CE1 3.52Å; V507-F627 HydrophobicContact CG2-CE2 4.08Å; V507-F627 HydrophobicContact CG2-CG 4.46Å; V507-F627 HydrophobicContact CG2-CZ 3.56Å
508	K	96.9	Very high	93.1	Very high	76 Å²	76	43 Å²	43	33%	0.33	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.9	-177.9	-179.9	177.8	-178	178.4	0	111.6	S506 D513 W625 S626	S506-K508 PolarHBondContact O-N 3.47Å; K508-D513 WeakPolarHBondContact CE-OD1 3.41Å; K508-D513 IonicContact NZ-OD1 3.16Å; K508-D513 PolarHBondContact NZ-OD1 3.19Å; K508-W625 CarbonylContact O-C 3.46Å; K508-W625 WeakPolarHBondContact O-CA 3.38Å; K508-S626 PolarHBondContact N-O 2.72Å; K508-S626 PolarHBondContact O-N 3.3Å; K508-S626 PolarHBondContact O-OG 2.78Å
509	N	97.5	Very high	93.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.9	169.6	-171	-97.5	0	0	0	111	G511 K512 D513 T514 M530 A606 Y622 H624 W625	N509-G511 PolarHBondContact OD1-N 3.39Å; N509-K512 HydrophobicContact CB-CB 4.48Å; N509-K512 WeakPolarHBondContact OD1-CB 3.44Å; N509-K512 PolarHBondContact OD1-N 2.85Å; N509-D513 WeakPolarHBondContact O-CA 3.14Å; N509-D513 PolarHBondContact O-N 2.05Å; N509-T514 PolarHBondContact N-O 3Å; N509-M530 HydrophobicContact CB-CE 3.68Å; N509-A606 HydrophobicContact CB-CB 4.24Å; N509-Y622 PolarHBondContact ND2-O 3.19Å; N509-H624 PolarHBondContact ND2-O 3.07Å; N509-W625 HydrophobicContact CB-CD2 4.43Å; N509-W625 HydrophobicContact CB-CE3 3.82Å; N509-W625 HydrophobicContact CB-CH2 4.04Å; N509-W625 HydrophobicContact CB-CZ3 3.64Å; N509-W625 WeakPolarHBondContact ND2-CZ2 3.07Å
510	V	94.5	Very high	93.4	Very high	63 Å²	63	48.4 Å²	48.4	38%	0.382	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-46.8	-177.6	-179.8	0	0	0	0	111.7	K512 H624	V510-K512 PolarHBondContact O-N 3.05Å; V510-H624 HydrophobicContact CB-CB 3.87Å; V510-H624 HydrophobicContact CG2-CB 3.71Å; V510-H624 PolarHBondContact N-O 3.4Å
511	G	93.9	Very high	93.1	Very high	23 Å²	23	47.9 Å²	47.9	24%	0.237	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.5	-175.8	0	0	0	0	0	114.4	N509 Q621	N509-G511 PolarHBondContact OD1-N 3.39Å; G511-Q621 PolarHBondContact N-O 3.31Å
512	K	93.5	Very high	93	Very high	68 Å²	68	48 Å²	48	30%	0.296	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-7.5	-177.1	-160.2	167.7	177	164.2	0	114.5	N509 V510 T514 M530 A606 H608 Y622	N509-K512 HydrophobicContact CB-CB 4.48Å; N509-K512 WeakPolarHBondContact OD1-CB 3.44Å; N509-K512 PolarHBondContact OD1-N 2.85Å; V510-K512 PolarHBondContact O-N 3.05Å; K512-T514 VanDerWaalsContact CG-OG1 3.28Å; K512-T514 WeakPolarHBondContact CG-OG1 3.38Å; K512-T514 PolarHBondContact O-N 3.1Å; K512-T514 VanDerWaalsContact O-N 3.11Å; K512-T514 PolarHBondContact O-OG1 3.07Å; K512-M530 HydrophobicContact CD-CB 4.25Å; K512-M530 HydrophobicContact CD-CG 4.16Å; K512-A606 HydrophobicContact CB-CB 4.41Å; K512-A606 HydrophobicContact CD-CB 4.14Å; K512-A606 VanDerWaalsContact CD-O 3.27Å; K512-A606 WeakPolarHBondContact CD-O 3.48Å; K512-A606 PolarHBondContact NZ-O 3.22Å; K512-H608 PolarHBondContact NZ-O 2.8Å; K512-Y622 HydrophobicContact CB-CD1 4.18Å; K512-Y622 HydrophobicContact CB-CE1 4.16Å
513	D	94.4	Very high	92.7	Very high	108 Å²	108	50.1 Å²	50.1	58%	0.578	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	33.3	-177.2	-160.2	37.3	0	0	0	114.2	K508 N509	K508-D513 WeakPolarHBondContact CE-OD1 3.41Å; K508-D513 IonicContact NZ-OD1 3.16Å; K508-D513 PolarHBondContact NZ-OD1 3.19Å; N509-D513 WeakPolarHBondContact O-CA 3.14Å; N509-D513 PolarHBondContact O-N 2.05Å
514	T	96.7	Very high	92.6	Very high	23 Å²	23	46.9 Å²	46.9	14%	0.141	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.5	-178.8	43.9	0	0	0	0	110.2	N509 K512 M530 Y531 C533	N509-T514 PolarHBondContact N-O 3Å; K512-T514 VanDerWaalsContact CG-OG1 3.28Å; K512-T514 WeakPolarHBondContact CG-OG1 3.38Å; K512-T514 PolarHBondContact O-N 3.1Å; K512-T514 VanDerWaalsContact O-N 3.11Å; K512-T514 PolarHBondContact O-OG1 3.07Å; T514-M530 WeakPolarHBondContact O-CE 3.46Å; T514-M530 VanDerWaalsContact OG1-CE 3.26Å; T514-M530 WeakPolarHBondContact OG1-CE 3.43Å; T514-Y531 WeakPolarHBondContact CB-O 3.5Å; T514-C533 VanDerWaalsContact C-SG 3.57Å
515	C	97.1	Very high	92.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	149.3	-178.5	-77.4	0	0	0	0	111	V507 D517 Y531 C533 Q540	V507-C515 CarbonylContact O-C 3.44Å; V507-C515 WeakPolarHBondContact O-CA 3.44Å; C515-D517 PolarHBondContact O-N 2.75Å; C515-Y531 PolarHBondContact N-O 3.42Å; C515-Y531 PolarHBondContact O-N 3.04Å; C515-C533 HydrophobicContact CB-CB 4.03Å; C515-C533 WeakPolarHBondContact CB-SG 3.28Å; C515-C533 PolarHBondContact N-SG 3.36Å; C515-C533 WeakPolarHBondContact SG-CB 3.48Å; C515-C533 CovalentContact SG-SG 2.04Å; C515-C533 PolarHBondContact SG-SG 2.67Å; C515-Q540 HydrophobicContact CB-CG 4.49Å
516	L	96.3	Very high	92.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	133	165	-166.9	66	0	0	0	108.7	V507 L528 M530 F542 P611 W625	V507-L516 HydrophobicContact CB-CB 4.03Å; V507-L516 HydrophobicContact CB-CD2 4.46Å; V507-L516 PolarHBondContact O-N 3.26Å; L516-L528 HydrophobicContact CD1-CB 3.92Å; L516-L528 HydrophobicContact CD1-CD2 3.69Å; L516-L528 HydrophobicContact CD1-CG 4.41Å; L516-L528 HydrophobicContact CD2-CD2 3.75Å; L516-L528 HydrophobicContact CG-CD2 3.59Å; L516-M530 HydrophobicContact CD1-SD 4.45Å; L516-F542 HydrophobicContact CB-CE2 4Å; L516-F542 HydrophobicContact CB-CZ 4.31Å; L516-F542 HydrophobicContact CD2-CD1 4.24Å; L516-F542 HydrophobicContact CD2-CD2 4.39Å; L516-F542 HydrophobicContact CD2-CE1 3.77Å; L516-F542 HydrophobicContact CD2-CE2 3.98Å; L516-F542 HydrophobicContact CD2-CZ 3.65Å; L516-F542 HydrophobicContact CG-CE1 4.34Å; L516-F542 HydrophobicContact CG-CE2 3.93Å; L516-F542 HydrophobicContact CG-CZ 3.72Å; L516-F542 WeakPolarHBondContact O-CE2 3.04Å; L516-P611 HydrophobicContact CD1-CB 4.33Å; L516-P611 HydrophobicContact CD1-CG 3.59Å; L516-W625 HydrophobicContact CB-CZ3 4.41Å
517	D	95.4	Very high	92.3	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.6	-177	-163.5	-58	0	0	0	109.4	C515 G519 I529 N539 Q540	C515-D517 PolarHBondContact O-N 2.75Å; D517-G519 PolarHBondContact O-N 2.9Å; D517-G519 PolarHBondContact OD1-N 3.2Å; D517-I529 HydrophobicContact CB-CG1 3.82Å; D517-I529 PolarHBondContact N-O 3.19Å; D517-I529 PolarHBondContact O-N 3.15Å; D517-N539 WeakPolarHBondContact OD1-CB 3.32Å; D517-Q540 HydrophobicContact CB-CG 4.15Å; D517-Q540 WeakPolarHBondContact OD2-CG 3.44Å; D517-Q540 PolarHBondContact OD2-NE2 3.36Å; D517-Q540 VanDerWaalsContact OD2-NE2 3.08Å
518	A	93.7	Very high	92.2	Very high	2 Å²	2	49.1 Å²	49.1	2%	0.017	27%	0.273	C	S	.	.			trans	-63.6	-21.5	178.9	0	0	0	0	0	112.6	N522 N539 L569	A518-N522 HydrophobicContact CB-CB 4.48Å; A518-N522 WeakPolarHBondContact O-CB 3.28Å; A518-N522 PolarHBondContact O-ND2 3.15Å; A518-N539 HydrophobicContact CB-CB 4.3Å; A518-N539 PolarHBondContact N-O 2.88Å; A518-L569 HydrophobicContact CB-CD1 3.73Å
519	G	91.1	Very high	92.2	Very high	10 Å²	10	48.1 Å²	48.1	10%	0.103	27%	0.271	C	S	.	.			trans	77.1	176.4	-174.2	0	0	0	0	0	112.9	D517 N539	D517-G519 PolarHBondContact O-N 2.9Å; D517-G519 PolarHBondContact OD1-N 3.2Å; G519-N539 PolarHBondContact O-ND2 3.16Å
520	E	85.9	Confident	92.1	Very high	166 Å²	166	49.2 Å²	49.2	78%	0.776	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	133.5	-179.6	-65.8	-175.1	178.7	0	0	111.9	N522	E520-N522 VanDerWaalsContact C-N 3.28Å; E520-N522 PolarHBondContact O-N 3.01Å
521	N	81.6	Confident	92.1	Very high	122 Å²	122	51.9 Å²	51.9	65%	0.652	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	41.4	174.6	-56.2	-41.6	0	0	0	113.3	E523 K526	N521-E523 PolarHBondContact O-N 3.43Å; N521-K526 PolarHBondContact O-NZ 2.89Å
522	N	86.8	Confident	92.3	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.08	29%	0.294	C	S	.	.			trans	-82.1	100.3	174.3	-165.2	-20.4	0	0	0	110.4	A518 E520 G524 K526 L558	A518-N522 HydrophobicContact CB-CB 4.48Å; A518-N522 WeakPolarHBondContact O-CB 3.28Å; A518-N522 PolarHBondContact O-ND2 3.15Å; E520-N522 VanDerWaalsContact C-N 3.28Å; E520-N522 PolarHBondContact O-N 3.01Å; N522-G524 PolarHBondContact OD1-N 3.06Å; N522-K526 PolarHBondContact ND2-O 3.36Å; N522-L558 WeakPolarHBondContact O-CD1 3.45Å
523	E	85.5	Confident	92.3	Very high	119 Å²	119	53.9 Å²	53.9	56%	0.556	30%	0.297	S	S	*	.			trans	-100.9	9.9	-176.5	-81.4	-162.6	-148.2	0	0	113.6	N521 K556	N521-E523 PolarHBondContact O-N 3.43Å; E523-K556 HydrophobicContact CB-CD 4.42Å; E523-K556 WeakPolarHBondContact O-CD 3.4Å; E523-K556 PolarHBondContact O-NZ 3.29Å; E523-K556 IonicContact OE2-NZ 2.87Å; E523-K556 PolarHBondContact OE2-NZ 3.39Å
524	G	89.5	Confident	92.2	Very high	24 Å²	24	52.2 Å²	52.2	25%	0.247	29%	0.285	C	S	.	.	S	Bend	trans	110.9	150.8	-166.5	0	0	0	0	0	112	N522 K526 L569	N522-G524 PolarHBondContact OD1-N 3.06Å; G524-K526 VanDerWaalsContact C-N 3.26Å; G524-K526 PolarHBondContact O-N 2.87Å; G524-L569 CarbonylContact C-O 3.57Å; G524-L569 VanDerWaalsContact CA-O 3.29Å; G524-L569 WeakPolarHBondContact CA-O 3.48Å
525	G	89.9	Confident	91.6	Very high	46 Å²	46	54.2 Å²	54.2	47%	0.474	31%	0.31	S	S	.	.	S	Bend	trans	76.1	-0.6	176.3	0	0	0	0	0	116.1	L569 E570	G525-L569 PolarHBondContact N-O 2.83Å; G525-E570 WeakPolarHBondContact CA-OE1 3.48Å; G525-E570 PolarHBondContact N-OE2 2.77Å
526	K	91.3	Very high	90.9	Very high	97 Å²	97	60.5 Å²	60.5	42%	0.422	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.3	-179	-63.5	-176.9	-174.4	172	0	112	N521 N522 G524 T568 L569	N521-K526 PolarHBondContact O-NZ 2.89Å; N522-K526 PolarHBondContact ND2-O 3.36Å; G524-K526 VanDerWaalsContact C-N 3.26Å; G524-K526 PolarHBondContact O-N 2.87Å; K526-T568 WeakPolarHBondContact O-CA 3.46Å; K526-T568 WeakPolarHBondContact O-CB 3.22Å; K526-L569 PolarHBondContact O-N 2.81Å; K526-L569 VanDerWaalsContact O-N 3.16Å
527	P	91.7	Very high	90.4	Very high	62 Å²	62	61.3 Å²	61.3	40%	0.403	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	156.9	172.7	30.1	-35.2	0	0	0	111	N610	P527-N610 HydrophobicContact CB-CB 4.41Å
528	L	94.1	Very high	90	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.366	C	S	.	.			trans	-84.6	163.2	171.6	-62.9	87.8	0	0	0	109.8	L516 F542 L560 V567 L569 N610 P611	L516-L528 HydrophobicContact CD1-CB 3.92Å; L516-L528 HydrophobicContact CD1-CD2 3.69Å; L516-L528 HydrophobicContact CD1-CG 4.41Å; L516-L528 HydrophobicContact CD2-CD2 3.75Å; L516-L528 HydrophobicContact CG-CD2 3.59Å; L528-F542 HydrophobicContact CD2-CE1 3.9Å; L528-F542 HydrophobicContact CD2-CZ 3.79Å; L528-L560 HydrophobicContact CD1-CD1 3.44Å; L528-L560 VanDerWaalsContact CD1-CD1 3.44Å; L528-L560 HydrophobicContact CD2-CD1 3.67Å; L528-L560 HydrophobicContact CG-CD1 4.24Å; L528-V567 HydrophobicContact CD1-CG1 4.15Å; L528-L569 HydrophobicContact CD1-CD2 4.44Å; L528-L569 HydrophobicContact CD1-CG 3.95Å; L528-L569 HydrophobicContact CD2-CD1 4.34Å; L528-L569 HydrophobicContact CD2-CD2 4.19Å; L528-L569 HydrophobicContact CD2-CG 4.02Å; L528-L569 HydrophobicContact CG-CD1 4.43Å; L528-L569 HydrophobicContact CG-CG 3.99Å; L528-N610 WeakPolarHBondContact O-CB 3.33Å; L528-N610 PolarHBondContact O-OD1 3Å; L528-P611 HydrophobicContact CB-CG 4.36Å; L528-P611 WeakPolarHBondContact O-CD 3.26Å
529	I	95.2	Very high	89.8	Confident	55 Å²	55	65.3 Å²	65.3	28%	0.282	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	164.6	174.5	69.8	178.6	0	0	0	110.1	D517 Y531	D517-I529 HydrophobicContact CB-CG1 3.82Å; D517-I529 PolarHBondContact N-O 3.19Å; D517-I529 PolarHBondContact O-N 3.15Å; I529-Y531 HydrophobicContact CD1-CD2 4.34Å
530	M	95.7	Very high	90	Very high	22 Å²	22	64.9 Å²	64.9	11%	0.108	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.2	166.5	-63.2	-57.8	-58.5	0	0	109.2	N509 K512 T514 L516 A606 P611 W625	N509-M530 HydrophobicContact CB-CE 3.68Å; K512-M530 HydrophobicContact CD-CB 4.25Å; K512-M530 HydrophobicContact CD-CG 4.16Å; T514-M530 WeakPolarHBondContact O-CE 3.46Å; T514-M530 VanDerWaalsContact OG1-CE 3.26Å; T514-M530 WeakPolarHBondContact OG1-CE 3.43Å; L516-M530 HydrophobicContact CD1-SD 4.45Å; M530-A606 HydrophobicContact CE-CB 4.18Å; M530-A606 HydrophobicContact CG-CB 4.29Å; M530-A606 HydrophobicContact SD-CB 4.12Å; M530-P611 HydrophobicContact CG-CG 4.17Å; M530-P611 HydrophobicContact SD-CG 3.7Å; M530-W625 HydrophobicContact CE-CH2 4.03Å; M530-W625 HydrophobicContact CE-CZ3 3.91Å; M530-W625 HydrophobicContact SD-CH2 3.77Å; M530-W625 HydrophobicContact SD-CZ3 4.07Å
531	Y	95.8	Very high	90.2	Very high	120 Å²	120	57.2 Å²	57.2	47%	0.471	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.7	-177.1	-158.3	-98.3	0	0	0	111.5	T514 C515 I529 C533	T514-Y531 WeakPolarHBondContact CB-O 3.5Å; C515-Y531 PolarHBondContact N-O 3.42Å; C515-Y531 PolarHBondContact O-N 3.04Å; I529-Y531 HydrophobicContact CD1-CD2 4.34Å; Y531-C533 PolarHBondContact O-N 3.46Å
532	P	96.3	Very high	90.8	Very high	80 Å²	80	51.4 Å²	51.4	52%	0.519	31%	0.309	S	S	.	.			trans	-50	129.8	172.2	-30.8	36.4	0	0	0	112.4	H534 Q540	P532-H534 PolarHBondContact O-N 2.81Å; P532-H534 VanDerWaalsContact O-N 3.14Å; P532-Q540 PolarHBondContact O-NE2 3.22Å
533	C	95.1	Very high	91.2	Very high	53 Å²	53	50.8 Å²	50.8	36%	0.358	31%	0.305	S	S	.	.			trans	-65	114.1	179.2	-63	0	0	0	0	110	T514 C515 Y531	T514-C533 VanDerWaalsContact C-SG 3.57Å; C515-C533 HydrophobicContact CB-CB 4.03Å; C515-C533 WeakPolarHBondContact CB-SG 3.28Å; C515-C533 PolarHBondContact N-SG 3.36Å; C515-C533 WeakPolarHBondContact SG-CB 3.48Å; C515-C533 CovalentContact SG-SG 2.04Å; C515-C533 PolarHBondContact SG-SG 2.67Å; Y531-C533 PolarHBondContact O-N 3.46Å
534	H	91.5	Very high	91.6	Very high	73 Å²	73	45.8 Å²	45.8	34%	0.338	28%	0.281	S	S	.	.			trans	-107.5	-12.5	-176.8	57.7	68.7	0	0	0	113.7	P532 L536 G537 Q540	P532-H534 PolarHBondContact O-N 2.81Å; P532-H534 VanDerWaalsContact O-N 3.14Å; H534-L536 HydrophobicContact CB-CD1 4.42Å; H534-L536 HydrophobicContact CB-CG 4.29Å; H534-L536 VanDerWaalsContact ND1-CB 3.28Å; H534-L536 WeakPolarHBondContact ND1-CB 3.43Å; H534-L536 WeakPolarHBondContact ND1-CG 3.42Å; H534-L536 PolarHBondContact ND1-N 2.77Å; H534-L536 VanDerWaalsContact ND1-N 3.15Å; H534-L536 PolarHBondContact O-N 2.78Å; H534-G537 PolarHBondContact CE1-O 2.87Å; H534-Q540 PolarHBondContact CD2-NE2 2.83Å; H534-Q540 PolarHBondContact CD2-OE1 2.71Å; H534-Q540 VanDerWaalsContact N-OE1 3.1Å; H534-Q540 WeakPolarHBondContact NE2-CG 3.45Å; H534-Q540 PolarHBondContact NE2-NE2 3.11Å; H534-Q540 PolarHBondContact NE2-OE1 3.25Å
535	G	85.1	Confident	91.8	Very high	64 Å²	64	44.8 Å²	44.8	66%	0.66	27%	0.27	S	S	*	.			trans	66.9	18.2	174.3	0	0	0	0	0	114.9
536	L	82.5	Confident	91.8	Very high	133 Å²	133	46.3 Å²	46.3	70%	0.696	27%	0.271	S	S	*	.			trans	-94.4	0	-177.6	-53.7	175.1	0	0	0	112.8	H534	H534-L536 HydrophobicContact CB-CD1 4.42Å; H534-L536 HydrophobicContact CB-CG 4.29Å; H534-L536 VanDerWaalsContact ND1-CB 3.28Å; H534-L536 WeakPolarHBondContact ND1-CB 3.43Å; H534-L536 WeakPolarHBondContact ND1-CG 3.42Å; H534-L536 PolarHBondContact ND1-N 2.77Å; H534-L536 VanDerWaalsContact ND1-N 3.15Å; H534-L536 PolarHBondContact O-N 2.78Å
537	G	85.8	Confident	91.8	Very high	17 Å²	17	47 Å²	47	18%	0.175	27%	0.271	C	S	.	.			trans	68.9	-126.2	-168.3	0	0	0	0	0	110.6	H534 N539 Q540	H534-G537 PolarHBondContact CE1-O 2.87Å; G537-N539 PolarHBondContact O-N 3.43Å; G537-Q540 PolarHBondContact O-N 3.3Å
538	G	85.7	Confident	91.9	Very high	33 Å²	33	47.3 Å²	47.3	34%	0.34	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	56.9	-125.8	178.4	0	0	0	0	0	111.6	Q540 Y541 H552	G538-Q540 PolarHBondContact O-N 3.15Å; G538-Q540 VanDerWaalsContact O-N 3.15Å; G538-Y541 WeakPolarHBondContact O-CB 3.42Å; G538-Y541 PolarHBondContact O-N 3.06Å; G538-H552 PolarHBondContact O-CE1 2.87Å
539	N	90.9	Very high	92	Very high	60 Å²	60	47.3 Å²	47.3	32%	0.321	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62	-20.6	179.6	-62.3	-2.9	0	0	0	113.9	D517 A518 G519 G537	D517-N539 WeakPolarHBondContact OD1-CB 3.32Å; A518-N539 HydrophobicContact CB-CB 4.3Å; A518-N539 PolarHBondContact N-O 2.88Å; G519-N539 PolarHBondContact O-ND2 3.16Å; G537-N539 PolarHBondContact O-N 3.43Å
540	Q	93.5	Very high	92	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-95.6	6.1	176.5	-65.2	-173.5	-2.8	0	0	113.2	S506 C515 D517 P532 H534 G537 G538	S506-Q540 WeakPolarHBondContact CA-O 3.45Å; C515-Q540 HydrophobicContact CB-CG 4.49Å; D517-Q540 HydrophobicContact CB-CG 4.15Å; D517-Q540 WeakPolarHBondContact OD2-CG 3.44Å; D517-Q540 PolarHBondContact OD2-NE2 3.36Å; D517-Q540 VanDerWaalsContact OD2-NE2 3.08Å; P532-Q540 PolarHBondContact O-NE2 3.22Å; H534-Q540 PolarHBondContact CD2-NE2 2.83Å; H534-Q540 PolarHBondContact CD2-OE1 2.71Å; H534-Q540 VanDerWaalsContact N-OE1 3.1Å; H534-Q540 WeakPolarHBondContact NE2-CG 3.45Å; H534-Q540 PolarHBondContact NE2-NE2 3.11Å; H534-Q540 PolarHBondContact NE2-OE1 3.25Å; G537-Q540 PolarHBondContact O-N 3.3Å; G538-Q540 PolarHBondContact O-N 3.15Å; G538-Q540 VanDerWaalsContact O-N 3.15Å
541	Y	91.7	Very high	91.9	Very high	6 Å²	6	43.8 Å²	43.8	2%	0.024	25%	0.248	C	C	.	.			trans	-82.9	123.4	176.7	-177.7	-92.8	0	0	0	111.3	R451 R452 F504 G538 E543 H552 N553 I554	R451-Y541 HydrophobicContact CB-CE2 4.35Å; R451-Y541 WeakPolarHBondContact CB-OH 3.19Å; R451-Y541 WeakPolarHBondContact O-CE2 3.25Å; R452-Y541 HydrophobicContact CG-CE1 4.38Å; F504-Y541 HydrophobicContact CD2-CE2 4.29Å; G538-Y541 WeakPolarHBondContact O-CB 3.42Å; G538-Y541 PolarHBondContact O-N 3.06Å; Y541-E543 HydrophobicContact CE1-CG 3.58Å; Y541-E543 VanDerWaalsContact OH-CG 3.3Å; Y541-E543 WeakPolarHBondContact OH-CG 3.3Å; Y541-E543 PolarHBondContact OH-OE1 3.26Å; Y541-H552 PolarHBondContact O-ND1 2.76Å; Y541-N553 WeakPolarHBondContact CE1-OD1 3.47Å; Y541-I554 HydrophobicContact CD1-CD1 3.35Å; Y541-I554 HydrophobicContact CD1-CG1 4.01Å; Y541-I554 HydrophobicContact CE1-CD1 4Å; Y541-I554 HydrophobicContact CG-CD1 3.65Å; Y541-I554 HydrophobicContact CG-CG1 4.32Å
542	F	94.3	Very high	91.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.4	171.7	-64	-92.9	0	0	0	111.4	F504 G505 V507 L516 L528 I550 R551 H552 L569 F627	F504-F542 VanDerWaalsContact CA-O 3.28Å; F504-F542 WeakPolarHBondContact CA-O 3.34Å; G505-F542 PolarHBondContact N-O 3.31Å; G505-F542 PolarHBondContact O-N 3.47Å; V507-F542 HydrophobicContact CG2-CB 3.71Å; V507-F542 HydrophobicContact CG2-CD2 3.94Å; V507-F542 HydrophobicContact CG2-CG 3.94Å; L516-F542 HydrophobicContact CB-CE2 4Å; L516-F542 HydrophobicContact CB-CZ 4.31Å; L516-F542 HydrophobicContact CD2-CD1 4.24Å; L516-F542 HydrophobicContact CD2-CD2 4.39Å; L516-F542 HydrophobicContact CD2-CE1 3.77Å; L516-F542 HydrophobicContact CD2-CE2 3.98Å; L516-F542 HydrophobicContact CD2-CZ 3.65Å; L516-F542 HydrophobicContact CG-CE1 4.34Å; L516-F542 HydrophobicContact CG-CE2 3.93Å; L516-F542 HydrophobicContact CG-CZ 3.72Å; L516-F542 WeakPolarHBondContact O-CE2 3.04Å; L528-F542 HydrophobicContact CD2-CE1 3.9Å; L528-F542 HydrophobicContact CD2-CZ 3.79Å; F542-I550 HydrophobicContact CB-CG2 4.26Å; F542-I550 HydrophobicContact CD1-CG2 3.87Å; F542-I550 HydrophobicContact CG-CG2 4.39Å; F542-R551 CarbonylContact C-O 3.47Å; F542-R551 VanDerWaalsContact CA-O 3.22Å; F542-R551 WeakPolarHBondContact CA-O 3.38Å; F542-H552 HydrophobicContact CD1-CB 4.02Å; F542-H552 HydrophobicContact CE1-CB 3.8Å; F542-L569 HydrophobicContact CE1-CD2 4.4Å; F542-F627 HydrophobicContact CB-CE1 4.2Å
543	E	94	Very high	91.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.8	171	-66.9	177.5	167	0	0	109.8	R451 R452 P501 F504 Y541 I550 R551 N553	R451-E543 IonicContact NE-OE1 3.99Å; R451-E543 IonicContact NH2-OE1 3.11Å; R452-E543 IonicContact CZ-OE1 3.63Å; R452-E543 IonicContact NH1-OE1 2.73Å; R452-E543 PolarHBondContact NH1-OE1 3Å; R452-E543 IonicContact NH2-OE1 2.7Å; R452-E543 PolarHBondContact NH2-OE1 3.46Å; R452-E543 VanDerWaalsContact NH2-OE1 3.15Å; R452-E543 IonicContact NH2-OE2 3.79Å; R452-E543 PolarHBondContact NH2-OE2 3.2Å; P501-E543 HydrophobicContact CB-CB 4.28Å; P501-E543 HydrophobicContact CG-CG 4.43Å; F504-E543 HydrophobicContact CB-CG 4.07Å; Y541-E543 HydrophobicContact CE1-CG 3.58Å; Y541-E543 VanDerWaalsContact OH-CG 3.3Å; Y541-E543 WeakPolarHBondContact OH-CG 3.3Å; Y541-E543 PolarHBondContact OH-OE1 3.26Å; E543-I550 CarbonylContact O-C 3.48Å; E543-I550 WeakPolarHBondContact O-CA 3.45Å; E543-R551 HydrophobicContact CB-CB 4.37Å; E543-R551 PolarHBondContact N-O 3.3Å; E543-R551 PolarHBondContact O-N 2.9Å; E543-N553 PolarHBondContact OE2-ND2 3.24Å
544	Y	94.8	Very high	90.5	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.3	164.8	-170	-122.5	0	0	0	109.6	V502 F503 E549 I550 W587 E588 L589	V502-Y544 HydrophobicContact CB-CD1 3.92Å; V502-Y544 HydrophobicContact CG1-CD1 4.21Å; V502-Y544 HydrophobicContact CG2-CD1 4.42Å; V502-Y544 PolarHBondContact N-O 2.77Å; F503-Y544 AromaticContact CD2-CD1 3.74Å; F503-Y544 HydrophobicContact CD2-CD1 3.74Å; F503-Y544 HydrophobicContact CD2-CG 4.35Å; F503-Y544 HydrophobicContact CE2-CD1 4.23Å; F503-Y544 PolarHBondContact O-N 3.27Å; Y544-E549 WeakPolarHBondContact CA-O 3.18Å; Y544-I550 HydrophobicContact CD2-CG1 3.9Å; Y544-I550 HydrophobicContact CE2-CG1 4.36Å; Y544-W587 VanDerWaalsContact CE2-O 3.28Å; Y544-W587 WeakPolarHBondContact CE2-O 3.36Å; Y544-W587 PolarHBondContact OH-O 2.86Å; Y544-E588 WeakPolarHBondContact OH-CA 3.27Å; Y544-L589 HydrophobicContact CE1-CB 4.33Å; Y544-L589 PolarHBondContact OH-N 2.7Å
545	S	92.2	Very high	89.6	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.014	21%	0.213	C	C	.	.			trans	-76.7	154.9	-174.5	86	0	0	0	0	112	D498 R547 H548 E549	D498-S545 WeakPolarHBondContact OD2-CA 3.45Å; D498-S545 WeakPolarHBondContact OD2-CB 3.32Å; S545-R547 PolarHBondContact O-N 3.48Å; S545-R547 VanDerWaalsContact O-N 3.08Å; S545-R547 PolarHBondContact OG-N 3.42Å; S545-R547 VanDerWaalsContact OG-N 3.14Å; S545-H548 PolarHBondContact O-N 3.18Å; S545-H548 PolarHBondContact OG-N 3.2Å; S545-E549 PolarHBondContact N-O 3.31Å; S545-E549 WeakPolarHBondContact OG-CB 3.48Å; S545-E549 PolarHBondContact OG-N 2.88Å; S545-E549 PolarHBondContact OG-OE2 3.14Å; S545-E549 VanDerWaalsContact OG-OE2 3.1Å
546	T	90.8	Very high	89.3	Confident	79 Å²	79	38.4 Å²	38.4	49%	0.485	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.3	168.2	57.9	0	0	0	0	113	D498 V502	D498-T546 VanDerWaalsContact CG-OG1 3.32Å; D498-T546 PolarHBondContact OD1-OG1 2.77Å; D498-T546 WeakPolarHBondContact OD2-CB 3.45Å; D498-T546 WeakPolarHBondContact OD2-CG2 3.38Å; D498-T546 PolarHBondContact OD2-N 2.86Å; D498-T546 PolarHBondContact OD2-OG1 3.33Å; V502-T546 HydrophobicContact CG2-CG2 4.13Å
547	R	90.8	Very high	89.5	Confident	112 Å²	112	35 Å²	35	42%	0.423	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	11.7	176	-61.1	178.1	176.3	-99.8	-4.1	113.1	S545 Y574 V581	S545-R547 PolarHBondContact O-N 3.48Å; S545-R547 VanDerWaalsContact O-N 3.08Å; S545-R547 PolarHBondContact OG-N 3.42Å; S545-R547 VanDerWaalsContact OG-N 3.14Å; R547-Y574 VanDerWaalsContact CZ-CE2 3.47Å; R547-Y574 VanDerWaalsContact CZ-OH 3.24Å; R547-Y574 PolarHBondContact NE-OH 3.28Å; R547-Y574 VanDerWaalsContact NH1-CE2 3.32Å; R547-Y574 PolarHBondContact NH2-OH 3.31Å; R547-Y574 VanDerWaalsContact NH2-OH 3.1Å; R547-V581 HydrophobicContact CB-CG2 3.92Å
548	H	94.4	Very high	89.8	Confident	68 Å²	68	34.3 Å²	34.3	32%	0.315	17%	0.171	S	C	.	.	S	Bend	trans	67.9	36.5	176.1	-62.7	-164.1	0	0	0	112.5	S545 K586 W587	S545-H548 PolarHBondContact O-N 3.18Å; S545-H548 PolarHBondContact OG-N 3.2Å; H548-K586 HydrophobicContact CB-CG 3.96Å; H548-K586 CarbonylContact O-C 3.58Å; H548-K586 WeakPolarHBondContact O-CA 3.32Å; H548-W587 VanDerWaalsContact CB-O 3.25Å; H548-W587 WeakPolarHBondContact CB-O 3.38Å; H548-W587 PolarHBondContact O-N 3.08Å
549	E	95	Very high	90.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.			trans	-103.5	148.3	170	-64.3	154.1	109.7	0	0	110.1	Y544 S545 R551 V581	Y544-E549 WeakPolarHBondContact CA-O 3.18Å; S545-E549 PolarHBondContact N-O 3.31Å; S545-E549 WeakPolarHBondContact OG-CB 3.48Å; S545-E549 PolarHBondContact OG-N 2.88Å; S545-E549 PolarHBondContact OG-OE2 3.14Å; S545-E549 VanDerWaalsContact OG-OE2 3.1Å; E549-R551 HydrophobicContact CB-CG 3.9Å; E549-R551 IonicContact OE1-NE 2.63Å; E549-R551 IonicContact OE1-NH2 3.88Å; E549-R551 IonicContact OE2-CZ 2.77Å; E549-R551 VanDerWaalsContact OE2-CZ 3.32Å; E549-R551 IonicContact OE2-NE 3.88Å; E549-R551 PolarHBondContact OE2-NE 3.14Å; E549-R551 IonicContact OE2-NH2 3.71Å; E549-R551 PolarHBondContact OE2-NH2 3.08Å; E549-V581 HydrophobicContact CG-CB 4.31Å; E549-V581 HydrophobicContact CG-CG1 3.52Å; E549-V581 HydrophobicContact CG-CG2 3.76Å
550	I	95.9	Very high	90.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	104.8	167.7	-59.5	173.2	0	0	0	106.9	F542 E543 Y544 C559 L560 W587 L595 F627	F542-I550 HydrophobicContact CB-CG2 4.26Å; F542-I550 HydrophobicContact CD1-CG2 3.87Å; F542-I550 HydrophobicContact CG-CG2 4.39Å; E543-I550 CarbonylContact O-C 3.48Å; E543-I550 WeakPolarHBondContact O-CA 3.45Å; Y544-I550 HydrophobicContact CD2-CG1 3.9Å; Y544-I550 HydrophobicContact CE2-CG1 4.36Å; I550-C559 WeakPolarHBondContact O-CA 3.38Å; I550-L560 HydrophobicContact CB-CB 3.87Å; I550-L560 HydrophobicContact CB-CD2 4.31Å; I550-L560 HydrophobicContact CD1-CD2 3.84Å; I550-L560 HydrophobicContact CG2-CB 4.23Å; I550-L560 HydrophobicContact CG2-CD2 4.39Å; I550-L560 PolarHBondContact O-N 3.36Å; I550-W587 HydrophobicContact CD1-CB 3.84Å; I550-W587 HydrophobicContact CD1-CD2 4.17Å; I550-W587 HydrophobicContact CD1-CG 3.8Å; I550-W587 HydrophobicContact CG1-CB 4.04Å; I550-W587 HydrophobicContact CG1-CG 4.11Å; I550-L595 HydrophobicContact CD1-CD1 3.94Å; I550-L595 HydrophobicContact CD1-CD2 3.84Å; I550-L595 HydrophobicContact CD1-CG 4.43Å; I550-F627 HydrophobicContact CG2-CZ 4.47Å
551	R	93.7	Very high	90.7	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.5	-169.5	-56.7	-178.4	169.9	-167.6	2.5	110.6	F542 E543 E549 N553 L558	F542-R551 CarbonylContact C-O 3.47Å; F542-R551 VanDerWaalsContact CA-O 3.22Å; F542-R551 WeakPolarHBondContact CA-O 3.38Å; E543-R551 HydrophobicContact CB-CB 4.37Å; E543-R551 PolarHBondContact N-O 3.3Å; E543-R551 PolarHBondContact O-N 2.9Å; E549-R551 HydrophobicContact CB-CG 3.9Å; E549-R551 IonicContact OE1-NE 2.63Å; E549-R551 IonicContact OE1-NH2 3.88Å; E549-R551 IonicContact OE2-CZ 2.77Å; E549-R551 VanDerWaalsContact OE2-CZ 3.32Å; E549-R551 IonicContact OE2-NE 3.88Å; E549-R551 PolarHBondContact OE2-NE 3.14Å; E549-R551 IonicContact OE2-NH2 3.71Å; E549-R551 PolarHBondContact OE2-NH2 3.08Å; R551-N553 HydrophobicContact CB-CB 4.43Å; R551-L558 CarbonylContact C-O 3.49Å; R551-L558 VanDerWaalsContact CA-O 3.32Å; R551-L558 WeakPolarHBondContact CA-O 3.32Å
552	H	92.4	Very high	90.9	Very high	11 Å²	11	31 Å²	31	5%	0.051	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	94.8	161.7	-179.8	69	0	0	0	108	G538 Y541 F542 L558 L569	G538-H552 PolarHBondContact O-CE1 2.87Å; Y541-H552 PolarHBondContact O-ND1 2.76Å; F542-H552 HydrophobicContact CD1-CB 4.02Å; F542-H552 HydrophobicContact CE1-CB 3.8Å; H552-L558 CarbonylContact C-O 3.41Å; H552-L558 HydrophobicContact CB-CB 4.49Å; H552-L558 PolarHBondContact N-O 2.97Å; H552-L558 WeakPolarHBondContact O-CB 3.15Å; H552-L558 PolarHBondContact O-N 3.33Å; H552-L558 VanDerWaalsContact O-N 3.11Å; H552-L569 HydrophobicContact CB-CD1 3.88Å; H552-L569 HydrophobicContact CB-CD2 3.99Å
553	N	86.1	Confident	90.8	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	17%	0.165	C	C	.	.			trans	-125.8	48.2	-166	58.6	4.2	0	0	0	113.3	R452 F495 Y541 E543 R551 K556	R452-N553 PolarHBondContact NE-O 2.87Å; R452-N553 PolarHBondContact NH2-ND2 2.97Å; R452-N553 PolarHBondContact NH2-OD1 3.45Å; R452-N553 VanDerWaalsContact NH2-OD1 3.16Å; F495-N553 HydrophobicContact CE1-CB 4.33Å; Y541-N553 WeakPolarHBondContact CE1-OD1 3.47Å; E543-N553 PolarHBondContact OE2-ND2 3.24Å; R551-N553 HydrophobicContact CB-CB 4.43Å; N553-K556 WeakPolarHBondContact CA-O 3.36Å
554	I	80.1	Confident	90.7	Very high	34 Å²	34	35.4 Å²	35.4	17%	0.174	19%	0.186	C	C	.	.	S	Bend	trans	-85.1	-61.4	173.6	-58.7	-57.1	0	0	0	111.2	R452 Y541	R452-I554 HydrophobicContact CB-CD1 3.99Å; R452-I554 HydrophobicContact CG-CD1 3.9Å; Y541-I554 HydrophobicContact CD1-CD1 3.35Å; Y541-I554 HydrophobicContact CD1-CG1 4.01Å; Y541-I554 HydrophobicContact CE1-CD1 4Å; Y541-I554 HydrophobicContact CG-CD1 3.65Å; Y541-I554 HydrophobicContact CG-CG1 4.32Å
555	Q	71.9	Confident	90.5	Very high	144 Å²	144	40 Å²	40	67%	0.673	21%	0.211	S	C	*	.	S	Bend	trans	-102.3	-46	-176.1	-63	176	4.7	0	0	112.4
556	K	79.4	Confident	90.5	Very high	81 Å²	81	42.5 Å²	42.5	35%	0.352	23%	0.231	S	C	.	.	S	Bend	trans	-121.7	159.6	172.9	-71.3	-167.9	-174.6	179.8	0	109.3	E523 N553 L558	E523-K556 HydrophobicContact CB-CD 4.42Å; E523-K556 WeakPolarHBondContact O-CD 3.4Å; E523-K556 PolarHBondContact O-NZ 3.29Å; E523-K556 IonicContact OE2-NZ 2.87Å; E523-K556 PolarHBondContact OE2-NZ 3.39Å; N553-K556 WeakPolarHBondContact CA-O 3.36Å; K556-L558 VanDerWaalsContact C-N 3.28Å; K556-L558 HydrophobicContact CB-CD1 4.35Å; K556-L558 HydrophobicContact CB-CD2 4.06Å; K556-L558 HydrophobicContact CB-CG 3.88Å; K556-L558 PolarHBondContact O-N 2.94Å
557	E	86.6	Confident	90.7	Very high	63 Å²	63	39 Å²	39	29%	0.294	21%	0.21	S	C	.	.			trans	-85.8	73.7	-179.3	-61	161.6	-172	0	0	109.4	F495 C572	F495-E557 HydrophobicContact CB-CG 4.13Å; F495-E557 WeakPolarHBondContact CB-OE1 3.21Å; F495-E557 WeakPolarHBondContact CB-OE2 3.44Å; F495-E557 HydrophobicContact CD1-CB 4.2Å; F495-E557 VanDerWaalsContact CD1-CD 3.41Å; F495-E557 HydrophobicContact CD1-CG 3.44Å; F495-E557 VanDerWaalsContact CD1-CG 3.44Å; F495-E557 HydrophobicContact CD2-CB 4.42Å; F495-E557 HydrophobicContact CD2-CG 4.33Å; F495-E557 HydrophobicContact CE1-CB 4.13Å; F495-E557 HydrophobicContact CE1-CG 3.73Å; F495-E557 HydrophobicContact CE2-CB 4.38Å; F495-E557 HydrophobicContact CG-CB 4.32Å; F495-E557 HydrophobicContact CG-CG 3.75Å; F495-E557 VanDerWaalsContact CG-OE2 3.26Å; F495-E557 WeakPolarHBondContact CG-OE2 3.1Å; F495-E557 HydrophobicContact CZ-CB 4.2Å; F495-E557 HydrophobicContact CZ-CG 4.29Å; E557-C572 WeakPolarHBondContact O-CB 3.31Å; E557-C572 PolarHBondContact O-N 3.38Å; E557-C572 PolarHBondContact O-SG 3.23Å
558	L	92.4	Very high	91	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.7	-176.6	-54.9	178	0	0	0	111.1	N522 R551 H552 K556 L569 E570 C572	N522-L558 WeakPolarHBondContact O-CD1 3.45Å; R551-L558 CarbonylContact C-O 3.49Å; R551-L558 VanDerWaalsContact CA-O 3.32Å; R551-L558 WeakPolarHBondContact CA-O 3.32Å; H552-L558 CarbonylContact C-O 3.41Å; H552-L558 HydrophobicContact CB-CB 4.49Å; H552-L558 PolarHBondContact N-O 2.97Å; H552-L558 WeakPolarHBondContact O-CB 3.15Å; H552-L558 PolarHBondContact O-N 3.33Å; H552-L558 VanDerWaalsContact O-N 3.11Å; K556-L558 VanDerWaalsContact C-N 3.28Å; K556-L558 HydrophobicContact CB-CD1 4.35Å; K556-L558 HydrophobicContact CB-CD2 4.06Å; K556-L558 HydrophobicContact CB-CG 3.88Å; K556-L558 PolarHBondContact O-N 2.94Å; L558-L569 HydrophobicContact CB-CB 4.12Å; L558-L569 HydrophobicContact CB-CD2 4.29Å; L558-L569 HydrophobicContact CD1-CB 4.05Å; L558-L569 HydrophobicContact CD1-CD1 4.23Å; L558-E570 CarbonylContact C-O 3.52Å; L558-E570 VanDerWaalsContact CA-O 3.27Å; L558-E570 WeakPolarHBondContact CA-O 3.42Å; L558-C572 PolarHBondContact O-SG 3.4Å; L558-C572 VanDerWaalsContact O-SG 3.39Å
559	C	94.9	Very high	91	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.3	178.5	-81.4	0	0	0	0	109.2	I550 H561 E570 C572 Q585	I550-C559 WeakPolarHBondContact O-CA 3.38Å; C559-H561 PolarHBondContact O-N 2.88Å; C559-E570 PolarHBondContact N-O 2.8Å; C559-E570 PolarHBondContact O-N 3.24Å; C559-C572 HydrophobicContact CB-CB 4.03Å; C559-C572 WeakPolarHBondContact CB-SG 2.88Å; C559-C572 PolarHBondContact N-SG 3.2Å; C559-C572 VanDerWaalsContact N-SG 3.4Å; C559-C572 VanDerWaalsContact SG-CA 3.55Å; C559-C572 WeakPolarHBondContact SG-CB 3.38Å; C559-C572 CovalentContact SG-SG 2.05Å; C559-C572 PolarHBondContact SG-SG 3.46Å; C559-Q585 HydrophobicContact CB-CB 4.46Å; C559-Q585 HydrophobicContact CB-CG 4.12Å
560	L	96.8	Very high	91	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	123	173	-163.9	70.8	0	0	0	109.2	L528 I550 V567 L569 W587 L604	L528-L560 HydrophobicContact CD1-CD1 3.44Å; L528-L560 VanDerWaalsContact CD1-CD1 3.44Å; L528-L560 HydrophobicContact CD2-CD1 3.67Å; L528-L560 HydrophobicContact CG-CD1 4.24Å; I550-L560 HydrophobicContact CB-CB 3.87Å; I550-L560 HydrophobicContact CB-CD2 4.31Å; I550-L560 HydrophobicContact CD1-CD2 3.84Å; I550-L560 HydrophobicContact CG2-CB 4.23Å; I550-L560 HydrophobicContact CG2-CD2 4.39Å; I550-L560 PolarHBondContact O-N 3.36Å; L560-V567 HydrophobicContact CD1-CG1 3.4Å; L560-V567 HydrophobicContact CD2-CG1 4.22Å; L560-V567 HydrophobicContact CG-CG1 3.71Å; L560-L569 HydrophobicContact CD1-CD2 4.41Å; L560-W587 HydrophobicContact CB-CZ2 4.37Å; L560-W587 HydrophobicContact CD2-CD2 4.23Å; L560-W587 HydrophobicContact CD2-CH2 4.04Å; L560-W587 HydrophobicContact CD2-CZ2 3.63Å; L560-W587 HydrophobicContact CG-CH2 4.49Å; L560-W587 HydrophobicContact CG-CZ2 3.73Å; L560-W587 PolarHBondContact O-NE1 3.28Å; L560-L604 HydrophobicContact CD2-CD2 4.19Å
561	H	97.2	Very high	90.9	Very high	30 Å²	30	38.6 Å²	38.6	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.3	-173.8	-173.6	107.3	0	0	0	110	C559 V567 T568 E570 Q584 Q585	C559-H561 PolarHBondContact O-N 2.88Å; H561-V567 WeakPolarHBondContact O-CA 3.43Å; H561-T568 PolarHBondContact N-O 2.9Å; H561-T568 PolarHBondContact O-N 2.78Å; H561-E570 HydrophobicContact CB-CB 3.95Å; H561-E570 HydrophobicContact CB-CG 3.5Å; H561-Q584 WeakPolarHBondContact CA-O 3.4Å; H561-Q584 WeakPolarHBondContact CE1-CB 3.11Å; H561-Q584 WeakPolarHBondContact NE2-CB 3.34Å; H561-Q585 HydrophobicContact CB-CG 4.19Å
562	G	95.6	Very high	90.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.3	173.6	0	0	0	0	0	112.1	Q584	G562-Q584 PolarHBondContact N-O 3.25Å; G562-Q584 WeakPolarHBondContact O-CB 3.35Å
563	A	91.9	Very high	90.6	Very high	51 Å²	51	41.4 Å²	41.4	42%	0.421	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	112.9	176.3	0	0	0	0	0	110.8	L565 A566	A563-L565 PolarHBondContact O-N 3.25Å; A563-A566 PolarHBondContact N-O 2.81Å; A563-A566 PolarHBondContact O-N 2.63Å
564	G	91.1	Very high	90.6	Very high	43 Å²	43	42.4 Å²	42.4	44%	0.443	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-119.5	-171.8	0	0	0	0	0	110.6	L600 M602 L613	G564-L600 WeakPolarHBondContact O-CD1 3.36Å; G564-M602 WeakPolarHBondContact O-CE 3.29Å; G564-L613 WeakPolarHBondContact O-CD1 3.27Å
565	L	91.5	Very high	90.4	Very high	112 Å²	112	45.2 Å²	45.2	59%	0.586	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.7	172.7	-59.8	179.7	0	0	0	112.9	A563 M602 Y612 L613	A563-L565 PolarHBondContact O-N 3.25Å; L565-M602 HydrophobicContact CD2-CE 4.42Å; L565-M602 HydrophobicContact CD2-SD 3.95Å; L565-Y612 WeakPolarHBondContact O-CB 3.5Å; L565-L613 WeakPolarHBondContact CD2-O 3.36Å; L565-L613 PolarHBondContact O-N 3.41Å
566	A	92.1	Very high	90.4	Very high	54 Å²	54	38.9 Å²	38.9	45%	0.446	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	146.8	-174.2	0	0	0	0	0	111.7	A563	A563-A566 PolarHBondContact N-O 2.81Å; A563-A566 PolarHBondContact O-N 2.63Å
567	V	95.6	Very high	89.8	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.1	172.6	-178.4	0	0	0	0	108.8	L528 L560 H561 W587 L604 L613	L528-V567 HydrophobicContact CD1-CG1 4.15Å; L560-V567 HydrophobicContact CD1-CG1 3.4Å; L560-V567 HydrophobicContact CD2-CG1 4.22Å; L560-V567 HydrophobicContact CG-CG1 3.71Å; H561-V567 WeakPolarHBondContact O-CA 3.43Å; V567-W587 HydrophobicContact CG2-CH2 4.38Å; V567-L604 HydrophobicContact CB-CD1 4.22Å; V567-L604 HydrophobicContact CG1-CD1 4Å; V567-L604 HydrophobicContact CG2-CD1 3.72Å; V567-L613 HydrophobicContact CG2-CD1 4.43Å; V567-L613 HydrophobicContact CG2-CD2 4.28Å; V567-L613 HydrophobicContact CG2-CG 3.73Å
568	T	96.1	Very high	89	Confident	23 Å²	23	47 Å²	47	14%	0.141	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	164.8	-179.6	55.6	0	0	0	0	110.6	K526 H561 E570	K526-T568 WeakPolarHBondContact O-CA 3.46Å; K526-T568 WeakPolarHBondContact O-CB 3.22Å; H561-T568 PolarHBondContact N-O 2.9Å; H561-T568 PolarHBondContact O-N 2.78Å; T568-E570 PolarHBondContact OG1-OE1 3.4Å
569	L	95.4	Very high	88.5	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.7	160.5	-76.3	-179.2	0	0	0	108.4	A518 G524 G525 K526 L528 F542 H552 L558 L560	A518-L569 HydrophobicContact CB-CD1 3.73Å; G524-L569 CarbonylContact C-O 3.57Å; G524-L569 VanDerWaalsContact CA-O 3.29Å; G524-L569 WeakPolarHBondContact CA-O 3.48Å; G525-L569 PolarHBondContact N-O 2.83Å; K526-L569 PolarHBondContact O-N 2.81Å; K526-L569 VanDerWaalsContact O-N 3.16Å; L528-L569 HydrophobicContact CD1-CD2 4.44Å; L528-L569 HydrophobicContact CD1-CG 3.95Å; L528-L569 HydrophobicContact CD2-CD1 4.34Å; L528-L569 HydrophobicContact CD2-CD2 4.19Å; L528-L569 HydrophobicContact CD2-CG 4.02Å; L528-L569 HydrophobicContact CG-CD1 4.43Å; L528-L569 HydrophobicContact CG-CG 3.99Å; F542-L569 HydrophobicContact CE1-CD2 4.4Å; H552-L569 HydrophobicContact CB-CD1 3.88Å; H552-L569 HydrophobicContact CB-CD2 3.99Å; L558-L569 HydrophobicContact CB-CB 4.12Å; L558-L569 HydrophobicContact CB-CD2 4.29Å; L558-L569 HydrophobicContact CD1-CB 4.05Å; L558-L569 HydrophobicContact CD1-CD1 4.23Å; L560-L569 HydrophobicContact CD1-CD2 4.41Å
570	E	95.1	Very high	88.1	Confident	62 Å²	62	56.9 Å²	56.9	29%	0.29	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	163.5	176.3	-60.1	-63.2	165.5	0	0	109.6	G525 L558 C559 H561 T568 C572	G525-E570 WeakPolarHBondContact CA-OE1 3.48Å; G525-E570 PolarHBondContact N-OE2 2.77Å; L558-E570 CarbonylContact C-O 3.52Å; L558-E570 VanDerWaalsContact CA-O 3.27Å; L558-E570 WeakPolarHBondContact CA-O 3.42Å; C559-E570 PolarHBondContact N-O 2.8Å; C559-E570 PolarHBondContact O-N 3.24Å; H561-E570 HydrophobicContact CB-CB 3.95Å; H561-E570 HydrophobicContact CB-CG 3.5Å; T568-E570 PolarHBondContact OG1-OE1 3.4Å; E570-C572 PolarHBondContact O-N 3.16Å
571	D	92.4	Very high	87.8	Confident	89 Å²	89	58.4 Å²	58.4	48%	0.476	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	132.7	171.7	-77.1	-25.6	0	0	0	110.9	Q573 Q585	D571-Q573 PolarHBondContact O-N 3.03Å; D571-Q585 PolarHBondContact O-NE2 2.85Å
572	C	90.6	Very high	87.6	Confident	1 Å²	1	58 Å²	58	1%	0.007	32%	0.324	C	S	.	.			trans	-59.8	126.6	174.1	-71.2	0	0	0	0	110.1	F495 E557 L558 C559 E570 Y574 K575	F495-C572 HydrophobicContact CE2-CB 4.2Å; E557-C572 WeakPolarHBondContact O-CB 3.31Å; E557-C572 PolarHBondContact O-N 3.38Å; E557-C572 PolarHBondContact O-SG 3.23Å; L558-C572 PolarHBondContact O-SG 3.4Å; L558-C572 VanDerWaalsContact O-SG 3.39Å; C559-C572 HydrophobicContact CB-CB 4.03Å; C559-C572 WeakPolarHBondContact CB-SG 2.88Å; C559-C572 PolarHBondContact N-SG 3.2Å; C559-C572 VanDerWaalsContact N-SG 3.4Å; C559-C572 VanDerWaalsContact SG-CA 3.55Å; C559-C572 WeakPolarHBondContact SG-CB 3.38Å; C559-C572 CovalentContact SG-SG 2.05Å; C559-C572 PolarHBondContact SG-SG 3.46Å; E570-C572 PolarHBondContact O-N 3.16Å; C572-Y574 VanDerWaalsContact C-N 3.31Å; C572-K575 VanDerWaalsContact O-CE 3.25Å; C572-K575 WeakPolarHBondContact O-CE 3.04Å
573	Q	89.9	Confident	87.5	Confident	70 Å²	70	62.1 Å²	62.1	33%	0.327	35%	0.35	S	S	.	.	S	Bend	trans	-71.1	-30.3	178.7	-70.5	168.5	-11.8	0	0	111.7	D571 Q585	D571-Q573 PolarHBondContact O-N 3.03Å; Q573-Q585 VanDerWaalsContact CG-OE1 3.23Å
574	Y	85.8	Confident	87.7	Confident	27 Å²	27	63.2 Å²	63.2	11%	0.106	35%	0.346	C	S	.	.			trans	-86.4	113.6	173.9	-179.4	-95.1	0	0	0	110.9	F495 R547 C572 T579 V581	F495-Y574 WeakPolarHBondContact CE2-O 3.46Å; R547-Y574 VanDerWaalsContact CZ-CE2 3.47Å; R547-Y574 VanDerWaalsContact CZ-OH 3.24Å; R547-Y574 PolarHBondContact NE-OH 3.28Å; R547-Y574 VanDerWaalsContact NH1-CE2 3.32Å; R547-Y574 PolarHBondContact NH2-OH 3.31Å; R547-Y574 VanDerWaalsContact NH2-OH 3.1Å; C572-Y574 VanDerWaalsContact C-N 3.31Å; Y574-T579 WeakPolarHBondContact CD2-O 3.39Å; Y574-V581 HydrophobicContact CG-CG2 4.38Å
575	K	76.9	Confident	88	Confident	94 Å²	94	61.2 Å²	61.2	41%	0.409	33%	0.325	S	S	.	.			trans	-121.2	18.3	178.4	-59	-170.7	175.8	-172.8	0	113.3	C572 T579	C572-K575 VanDerWaalsContact O-CE 3.25Å; C572-K575 WeakPolarHBondContact O-CE 3.04Å; K575-T579 HydrophobicContact CB-CG2 4.36Å; K575-T579 PolarHBondContact N-OG1 3.2Å
576	G	71.9	Confident	88.2	Confident	11 Å²	11	60.2 Å²	60.2	11%	0.113	32%	0.316	C	S	.	.	S	Bend	trans	106.5	-143.2	-178.8	0	0	0	0	0	113.7	N578 T579	G576-N578 PolarHBondContact O-N 3.33Å; G576-T579 PolarHBondContact N-OG1 2.9Å; G576-T579 VanDerWaalsContact N-OG1 3.11Å; G576-T579 PolarHBondContact O-N 2.79Å; G576-T579 VanDerWaalsContact O-N 3.15Å; G576-T579 PolarHBondContact O-OG1 3.26Å
577	M	65.8	Low	88.4	Confident	162 Å²	162	57.6 Å²	57.6	80%	0.798	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	132.8	-170.9	-71.4	-170.4	80.7	0	0	111.8	T579	M577-T579 VanDerWaalsContact C-N 3.27Å; M577-T579 PolarHBondContact O-N 2.64Å
578	N	70.4	Confident	88.4	Confident	152 Å²	152	59.7 Å²	59.7	81%	0.813	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	12.9	179.4	-49.9	-35.7	0	0	0	116.4	G576	G576-N578 PolarHBondContact O-N 3.33Å
579	T	81.8	Confident	88.3	Confident	43 Å²	43	60.9 Å²	60.9	26%	0.264	31%	0.31	S	S	.	.			trans	-112.8	157.3	171.6	66	0	0	0	0	111.2	Y574 K575 G576 M577	Y574-T579 WeakPolarHBondContact CD2-O 3.39Å; K575-T579 HydrophobicContact CB-CG2 4.36Å; K575-T579 PolarHBondContact N-OG1 3.2Å; G576-T579 PolarHBondContact N-OG1 2.9Å; G576-T579 VanDerWaalsContact N-OG1 3.11Å; G576-T579 PolarHBondContact O-N 2.79Å; G576-T579 VanDerWaalsContact O-N 3.15Å; G576-T579 PolarHBondContact O-OG1 3.26Å; M577-T579 VanDerWaalsContact C-N 3.27Å; M577-T579 PolarHBondContact O-N 2.64Å
580	F	86.6	Confident	88.2	Confident	166 Å²	166	64.8 Å²	64.8	73%	0.728	33%	0.327	S	S	*	.			trans	-136.1	153.7	-176.9	-55.8	-84.9	0	0	0	110.5	G582	F580-G582 PolarHBondContact O-N 2.84Å
581	V	90.6	Very high	87.7	Confident	32 Å²	32	70.3 Å²	70.3	19%	0.194	36%	0.358	C	S	.	.			trans	-76.1	117.1	170.9	-173.7	0	0	0	0	108.2	R547 E549 Y574 Q585 K586	R547-V581 HydrophobicContact CB-CG2 3.92Å; E549-V581 HydrophobicContact CG-CB 4.31Å; E549-V581 HydrophobicContact CG-CG1 3.52Å; E549-V581 HydrophobicContact CG-CG2 3.76Å; Y574-V581 HydrophobicContact CG-CG2 4.38Å; V581-Q585 HydrophobicContact CG1-CB 4.27Å; V581-K586 HydrophobicContact CG1-CB 4.03Å
582	G	92.1	Very high	87.3	Confident	22 Å²	22	69.1 Å²	69.1	23%	0.227	35%	0.351	C	S	.	.			trans	-77	167.9	175.3	0	0	0	0	0	112.6	F580 Q584 Q585 K586	F580-G582 PolarHBondContact O-N 2.84Å; G582-Q584 PolarHBondContact O-N 2.04Å; G582-Q585 PolarHBondContact O-N 2.82Å; G582-K586 PolarHBondContact O-N 2.9Å
583	T	94.5	Very high	87.3	Confident	87 Å²	87	73.1 Å²	73.1	53%	0.534	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.5	-170.6	52.5	0	0	0	0	113.8
584	Q	95.9	Very high	87.6	Confident	73 Å²	73	70.1 Å²	70.1	34%	0.341	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-18.8	179.1	-56.7	88.7	-9.7	0	0	113.7	H561 G562 G582	H561-Q584 WeakPolarHBondContact CA-O 3.4Å; H561-Q584 WeakPolarHBondContact CE1-CB 3.11Å; H561-Q584 WeakPolarHBondContact NE2-CB 3.34Å; G562-Q584 PolarHBondContact N-O 3.25Å; G562-Q584 WeakPolarHBondContact O-CB 3.35Å; G582-Q584 PolarHBondContact O-N 2.04Å
585	Q	96.3	Very high	88.1	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	3.3	-178.2	-70	-178.2	-17.4	0	0	112.9	C559 H561 D571 Q573 V581 G582 W587	C559-Q585 HydrophobicContact CB-CB 4.46Å; C559-Q585 HydrophobicContact CB-CG 4.12Å; H561-Q585 HydrophobicContact CB-CG 4.19Å; D571-Q585 PolarHBondContact O-NE2 2.85Å; Q573-Q585 VanDerWaalsContact CG-OE1 3.23Å; V581-Q585 HydrophobicContact CG1-CB 4.27Å; G582-Q585 PolarHBondContact O-N 2.82Å; Q585-W587 VanDerWaalsContact O-CD1 3.28Å
586	K	96.7	Very high	89.1	Confident	91 Å²	91	66.2 Å²	66.2	40%	0.396	34%	0.339	S	S	.	.			trans	-94.8	106.3	179.4	-169.2	176.1	-177.9	179.2	0	110.4	H548 V581 G582 L597 P598	H548-K586 HydrophobicContact CB-CG 3.96Å; H548-K586 CarbonylContact O-C 3.58Å; H548-K586 WeakPolarHBondContact O-CA 3.32Å; V581-K586 HydrophobicContact CG1-CB 4.03Å; G582-K586 PolarHBondContact O-N 2.9Å; K586-L597 VanDerWaalsContact O-CD1 3.3Å; K586-L597 WeakPolarHBondContact O-CD1 3.06Å; K586-P598 WeakPolarHBondContact O-CD 3.5Å
587	W	96.9	Very high	90.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.334	C	S	.	.			trans	-112	137.6	-177.2	-61.9	87.5	0	0	0	112	Y544 H548 I550 L560 V567 Q585 Y596 L597 L604 L613	Y544-W587 VanDerWaalsContact CE2-O 3.28Å; Y544-W587 WeakPolarHBondContact CE2-O 3.36Å; Y544-W587 PolarHBondContact OH-O 2.86Å; H548-W587 VanDerWaalsContact CB-O 3.25Å; H548-W587 WeakPolarHBondContact CB-O 3.38Å; H548-W587 PolarHBondContact O-N 3.08Å; I550-W587 HydrophobicContact CD1-CB 3.84Å; I550-W587 HydrophobicContact CD1-CD2 4.17Å; I550-W587 HydrophobicContact CD1-CG 3.8Å; I550-W587 HydrophobicContact CG1-CB 4.04Å; I550-W587 HydrophobicContact CG1-CG 4.11Å; L560-W587 HydrophobicContact CB-CZ2 4.37Å; L560-W587 HydrophobicContact CD2-CD2 4.23Å; L560-W587 HydrophobicContact CD2-CH2 4.04Å; L560-W587 HydrophobicContact CD2-CZ2 3.63Å; L560-W587 HydrophobicContact CG-CH2 4.49Å; L560-W587 HydrophobicContact CG-CZ2 3.73Å; L560-W587 PolarHBondContact O-NE1 3.28Å; V567-W587 HydrophobicContact CG2-CH2 4.38Å; Q585-W587 VanDerWaalsContact O-CD1 3.28Å; W587-Y596 CarbonylContact C-O 3.58Å; W587-Y596 WeakPolarHBondContact CA-O 3.49Å; W587-L597 HydrophobicContact CD2-CB 4.47Å; W587-L597 HydrophobicContact CD2-CD1 3.76Å; W587-L597 HydrophobicContact CE3-CB 3.94Å; W587-L597 HydrophobicContact CE3-CD1 4.1Å; W587-L597 HydrophobicContact CG-CD1 4.23Å; W587-L597 HydrophobicContact CH2-CB 4.25Å; W587-L597 HydrophobicContact CH2-CD1 4.31Å; W587-L597 HydrophobicContact CH2-CD2 4.5Å; W587-L597 HydrophobicContact CZ2-CD1 3.95Å; W587-L597 HydrophobicContact CZ3-CB 3.82Å; W587-L597 HydrophobicContact CZ3-CD1 4.36Å; W587-L604 HydrophobicContact CH2-CD1 4.46Å; W587-L604 HydrophobicContact CZ3-CB 4.12Å; W587-L613 HydrophobicContact CH2-CD2 3.73Å; W587-L613 HydrophobicContact CZ3-CD2 3.9Å
588	E	95.8	Very high	91.7	Very high	48 Å²	48	60 Å²	60	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.1	174.3	-65	179.5	-176.4	0	0	109.6	Y544 K590 Y596 P598	Y544-E588 WeakPolarHBondContact OH-CA 3.27Å; E588-K590 HydrophobicContact CB-CD 4.49Å; E588-K590 PolarHBondContact O-N 3.12Å; E588-K590 WeakPolarHBondContact OE2-CE 3.33Å; E588-K590 IonicContact OE2-NZ 3.54Å; E588-K590 PolarHBondContact OE2-NZ 2.84Å; E588-Y596 HydrophobicContact CB-CD1 4.2Å; E588-Y596 PolarHBondContact N-O 2.99Å; E588-Y596 PolarHBondContact O-N 2.96Å; E588-P598 HydrophobicContact CG-CG 3.87Å; E588-P598 WeakPolarHBondContact OE1-CG 3.21Å
589	L	93.3	Very high	92.8	Very high	48 Å²	48	54.8 Å²	54.8	25%	0.251	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	108.4	166.7	-177.7	64.6	0	0	0	108.3	F503 Y544 L595 F627	F503-L589 HydrophobicContact CD2-CD2 4.01Å; F503-L589 HydrophobicContact CE2-CD2 3.76Å; Y544-L589 HydrophobicContact CE1-CB 4.33Å; Y544-L589 PolarHBondContact OH-N 2.7Å; L589-L595 HydrophobicContact CB-CD2 4.06Å; L589-L595 HydrophobicContact CD1-CD2 3.62Å; L589-L595 HydrophobicContact CD1-CG 4.2Å; L589-L595 HydrophobicContact CG-CD2 4.4Å; L589-F627 HydrophobicContact CD2-CD2 4.3Å
590	K	92.4	Very high	93.4	Very high	82 Å²	82	56 Å²	56	36%	0.357	30%	0.295	S	S	.	.			trans	-81.8	159.5	179.9	-62	-62.3	-166.6	-174	0	111.3	E588 N592 Q593 L594	E588-K590 HydrophobicContact CB-CD 4.49Å; E588-K590 PolarHBondContact O-N 3.12Å; E588-K590 WeakPolarHBondContact OE2-CE 3.33Å; E588-K590 IonicContact OE2-NZ 3.54Å; E588-K590 PolarHBondContact OE2-NZ 2.84Å; K590-N592 WeakPolarHBondContact CB-OD1 3.12Å; K590-N592 PolarHBondContact O-N 3.45Å; K590-N592 VanDerWaalsContact O-N 3.08Å; K590-Q593 PolarHBondContact O-N 3.42Å; K590-L594 HydrophobicContact CB-CB 4.32Å; K590-L594 PolarHBondContact N-O 2.87Å
591	D	84.9	Confident	93.8	Very high	178 Å²	178	53.3 Å²	53.3	95%	0.952	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26	179.5	-61.3	-33.9	0	0	0	113.8	Q593	D591-Q593 PolarHBondContact O-N 2.95Å
592	N	83.9	Confident	94.1	Very high	63 Å²	63	53.5 Å²	53.5	34%	0.337	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	22.7	175.1	64	-7.8	0	0	0	113.5	K590 L594	K590-N592 WeakPolarHBondContact CB-OD1 3.12Å; K590-N592 PolarHBondContact O-N 3.45Å; K590-N592 VanDerWaalsContact O-N 3.08Å; N592-L594 WeakPolarHBondContact ND2-CD1 3.43Å; N592-L594 PolarHBondContact O-N 2.97Å; N592-L594 VanDerWaalsContact O-N 3.12Å; N592-L594 WeakPolarHBondContact OD1-CB 3.4Å; N592-L594 VanDerWaalsContact OD1-CG 3.32Å; N592-L594 WeakPolarHBondContact OD1-CG 3.35Å
593	Q	91.2	Very high	94.4	Very high	86 Å²	86	52.5 Å²	52.5	40%	0.402	28%	0.278	S	S	.	.	S	Bend	trans	62.1	15.4	177.8	-59.2	-179.4	-2.1	0	0	114.9	K590 D591 H624 W625	K590-Q593 PolarHBondContact O-N 3.42Å; D591-Q593 PolarHBondContact O-N 2.95Å; Q593-H624 HydrophobicContact CB-CB 4.17Å; Q593-H624 WeakPolarHBondContact O-CA 3.13Å; Q593-W625 PolarHBondContact O-N 2.99Å
594	L	95.9	Very high	94.6	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-80.5	130.1	174.6	-62.1	-179.4	0	0	0	110.3	K590 N592 Y596 C616 P618 Q623	K590-L594 HydrophobicContact CB-CB 4.32Å; K590-L594 PolarHBondContact N-O 2.87Å; N592-L594 WeakPolarHBondContact ND2-CD1 3.43Å; N592-L594 PolarHBondContact O-N 2.97Å; N592-L594 VanDerWaalsContact O-N 3.12Å; N592-L594 WeakPolarHBondContact OD1-CB 3.4Å; N592-L594 VanDerWaalsContact OD1-CG 3.32Å; N592-L594 WeakPolarHBondContact OD1-CG 3.35Å; L594-Y596 PolarHBondContact O-N 2.92Å; L594-C616 HydrophobicContact CD1-CB 4.42Å; L594-P618 HydrophobicContact CD1-CG 4.13Å; L594-Q623 HydrophobicContact CD2-CB 3.52Å; L594-Q623 WeakPolarHBondContact CD2-O 3.49Å
595	L	96.9	Very high	94.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	96.1	165	-74.2	178.1	0	0	0	109.1	V507 I550 L589 C603 L604 W625	V507-L595 HydrophobicContact CG1-CD1 4.21Å; I550-L595 HydrophobicContact CD1-CD1 3.94Å; I550-L595 HydrophobicContact CD1-CD2 3.84Å; I550-L595 HydrophobicContact CD1-CG 4.43Å; L589-L595 HydrophobicContact CB-CD2 4.06Å; L589-L595 HydrophobicContact CD1-CD2 3.62Å; L589-L595 HydrophobicContact CD1-CG 4.2Å; L589-L595 HydrophobicContact CG-CD2 4.4Å; L595-C603 WeakPolarHBondContact O-CA 3.12Å; L595-L604 HydrophobicContact CB-CB 4.01Å; L595-L604 HydrophobicContact CD1-CD2 3.9Å; L595-L604 PolarHBondContact O-N 3.5Å; L595-W625 HydrophobicContact CD1-CB 3.75Å; L595-W625 HydrophobicContact CD1-CD2 4.09Å; L595-W625 HydrophobicContact CD1-CG 3.61Å; L595-W625 HydrophobicContact CG-CB 3.92Å; L595-W625 HydrophobicContact CG-CG 3.96Å
596	Y	97.3	Very high	94.6	Very high	39 Å²	39	44.9 Å²	44.9	15%	0.153	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.1	-174.9	174.3	-117.9	0	0	0	111.6	W587 E588 L594 P598 N601 M602 C616	W587-Y596 CarbonylContact C-O 3.58Å; W587-Y596 WeakPolarHBondContact CA-O 3.49Å; E588-Y596 HydrophobicContact CB-CD1 4.2Å; E588-Y596 PolarHBondContact N-O 2.99Å; E588-Y596 PolarHBondContact O-N 2.96Å; L594-Y596 PolarHBondContact O-N 2.92Å; Y596-P598 HydrophobicContact CD1-CB 4.39Å; Y596-P598 HydrophobicContact CD1-CG 3.79Å; Y596-P598 HydrophobicContact CE1-CB 3.77Å; Y596-P598 HydrophobicContact CE1-CG 3.66Å; Y596-P598 WeakPolarHBondContact O-CD 3.34Å; Y596-N601 WeakPolarHBondContact CE2-OD1 3.49Å; Y596-N601 PolarHBondContact OH-OD1 3.02Å; Y596-M602 WeakPolarHBondContact CD2-O 3.03Å; Y596-C616 VanDerWaalsContact CD2-SG 3.57Å
597	L	96.9	Very high	94.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	101.9	171.3	-170.7	76.3	0	0	0	109.7	K586 W587 G599 L600 N601 M602 L613	K586-L597 VanDerWaalsContact O-CD1 3.3Å; K586-L597 WeakPolarHBondContact O-CD1 3.06Å; W587-L597 HydrophobicContact CD2-CB 4.47Å; W587-L597 HydrophobicContact CD2-CD1 3.76Å; W587-L597 HydrophobicContact CE3-CB 3.94Å; W587-L597 HydrophobicContact CE3-CD1 4.1Å; W587-L597 HydrophobicContact CG-CD1 4.23Å; W587-L597 HydrophobicContact CH2-CB 4.25Å; W587-L597 HydrophobicContact CH2-CD1 4.31Å; W587-L597 HydrophobicContact CH2-CD2 4.5Å; W587-L597 HydrophobicContact CZ2-CD1 3.95Å; W587-L597 HydrophobicContact CZ3-CB 3.82Å; W587-L597 HydrophobicContact CZ3-CD1 4.36Å; L597-G599 VanDerWaalsContact C-N 3.25Å; L597-G599 PolarHBondContact O-N 3.39Å; L597-L600 HydrophobicContact CD2-CB 4.22Å; L597-L600 HydrophobicContact CD2-CD1 3.88Å; L597-L600 HydrophobicContact CD2-CG 4.04Å; L597-L600 PolarHBondContact O-N 2.05Å; L597-N601 PolarHBondContact O-N 3.34Å; L597-M602 PolarHBondContact N-O 3.32Å; L597-M602 PolarHBondContact O-N 2.84Å; L597-L613 HydrophobicContact CB-CD2 4.34Å; L597-L613 HydrophobicContact CD2-CD1 3.87Å
598	P	95.4	Very high	94	Very high	43 Å²	43	50.1 Å²	50.1	28%	0.279	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33	-176.8	-21.8	33.7	0	0	0	113.5	K586 E588 Y596 L600 N601	K586-P598 WeakPolarHBondContact O-CD 3.5Å; E588-P598 HydrophobicContact CG-CG 3.87Å; E588-P598 WeakPolarHBondContact OE1-CG 3.21Å; Y596-P598 HydrophobicContact CD1-CB 4.39Å; Y596-P598 HydrophobicContact CD1-CG 3.79Å; Y596-P598 HydrophobicContact CE1-CB 3.77Å; Y596-P598 HydrophobicContact CE1-CG 3.66Å; Y596-P598 WeakPolarHBondContact O-CD 3.34Å; P598-L600 PolarHBondContact O-N 3.02Å; P598-N601 PolarHBondContact O-N 2.69Å
599	G	92.9	Very high	93.4	Very high	42 Å²	42	55.4 Å²	55.4	43%	0.433	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.8	-178	0	0	0	0	0	114.5	L597	L597-G599 VanDerWaalsContact C-N 3.25Å; L597-G599 PolarHBondContact O-N 3.39Å
600	L	94.5	Very high	93.4	Very high	68 Å²	68	56 Å²	56	36%	0.356	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-2.4	-180	-64.2	179.2	0	0	0	113.5	G564 L597 P598 M602 L613	G564-L600 WeakPolarHBondContact O-CD1 3.36Å; L597-L600 HydrophobicContact CD2-CB 4.22Å; L597-L600 HydrophobicContact CD2-CD1 3.88Å; L597-L600 HydrophobicContact CD2-CG 4.04Å; L597-L600 PolarHBondContact O-N 2.05Å; P598-L600 PolarHBondContact O-N 3.02Å; L600-M602 VanDerWaalsContact C-N 3.28Å; L600-M602 HydrophobicContact CB-CE 3.73Å; L600-M602 HydrophobicContact CB-CG 4.48Å; L600-M602 HydrophobicContact CD1-CE 4.14Å; L600-M602 HydrophobicContact CG-CE 4.41Å; L600-M602 PolarHBondContact O-N 3.05Å; L600-L613 HydrophobicContact CD1-CD1 3.69Å
601	N	95.7	Very high	93.6	Very high	110 Å²	110	52.2 Å²	52.2	59%	0.588	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42.7	-173.3	-165.4	42.1	0	0	0	113.3	Y596 L597 P598	Y596-N601 WeakPolarHBondContact CE2-OD1 3.49Å; Y596-N601 PolarHBondContact OH-OD1 3.02Å; L597-N601 PolarHBondContact O-N 3.34Å; P598-N601 PolarHBondContact O-N 2.69Å
602	M	97.5	Very high	94.1	Very high	36 Å²	36	46.4 Å²	46.4	18%	0.177	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162.8	-177.5	-70.9	-167	-101.5	0	0	111.3	G564 L565 Y596 L597 L600 L613 A614	G564-M602 WeakPolarHBondContact O-CE 3.29Å; L565-M602 HydrophobicContact CD2-CE 4.42Å; L565-M602 HydrophobicContact CD2-SD 3.95Å; Y596-M602 WeakPolarHBondContact CD2-O 3.03Å; L597-M602 PolarHBondContact N-O 3.32Å; L597-M602 PolarHBondContact O-N 2.84Å; L600-M602 VanDerWaalsContact C-N 3.28Å; L600-M602 HydrophobicContact CB-CE 3.73Å; L600-M602 HydrophobicContact CB-CG 4.48Å; L600-M602 HydrophobicContact CD1-CE 4.14Å; L600-M602 HydrophobicContact CG-CE 4.41Å; L600-M602 PolarHBondContact O-N 3.05Å; M602-L613 HydrophobicContact CB-CB 4.03Å; M602-L613 HydrophobicContact CB-CD2 4.14Å; M602-L613 HydrophobicContact CB-CG 4.5Å; M602-L613 HydrophobicContact SD-CB 4.06Å; M602-A614 WeakPolarHBondContact CA-O 3.49Å; M602-A614 WeakPolarHBondContact CB-O 3.45Å
603	C	97.6	Very high	94.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.4	179.9	-73.2	0	0	0	0	111.1	L595 L613 A614 C616	L595-C603 WeakPolarHBondContact O-CA 3.12Å; C603-L613 WeakPolarHBondContact O-CA 3.49Å; C603-A614 PolarHBondContact N-O 3.24Å; C603-A614 PolarHBondContact O-N 3.11Å; C603-C616 HydrophobicContact CB-CB 3.97Å; C603-C616 WeakPolarHBondContact CB-SG 3.36Å; C603-C616 PolarHBondContact N-SG 3.33Å; C603-C616 WeakPolarHBondContact SG-CB 3.4Å; C603-C616 CovalentContact SG-SG 2.05Å; C603-C616 PolarHBondContact SG-SG 3.5Å
604	L	97.7	Very high	95	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.5	175.3	-172	68.4	0	0	0	110.7	L560 V567 W587 L595 P611 W625	L560-L604 HydrophobicContact CD2-CD2 4.19Å; V567-L604 HydrophobicContact CB-CD1 4.22Å; V567-L604 HydrophobicContact CG1-CD1 4Å; V567-L604 HydrophobicContact CG2-CD1 3.72Å; W587-L604 HydrophobicContact CH2-CD1 4.46Å; W587-L604 HydrophobicContact CZ3-CB 4.12Å; L595-L604 HydrophobicContact CB-CB 4.01Å; L595-L604 HydrophobicContact CD1-CD2 3.9Å; L595-L604 PolarHBondContact O-N 3.5Å; L604-P611 HydrophobicContact CD1-CB 3.86Å; L604-P611 HydrophobicContact CG-CB 4.46Å; L604-W625 HydrophobicContact CB-CZ2 4.39Å; L604-W625 HydrophobicContact CD2-CD2 4.29Å; L604-W625 HydrophobicContact CD2-CH2 4.08Å; L604-W625 HydrophobicContact CD2-CZ2 3.64Å; L604-W625 HydrophobicContact CG-CH2 4.39Å; L604-W625 HydrophobicContact CG-CZ2 3.62Å; L604-W625 PolarHBondContact O-NE1 3.23Å
605	T	97.1	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.8	178.3	-174.7	0	0	0	0	112.9	H607 P611 Y612 A614 Y622	T605-H607 PolarHBondContact OG1-CD2 2.97Å; T605-P611 WeakPolarHBondContact O-CA 3.28Å; T605-Y612 HydrophobicContact CG2-CD1 3.74Å; T605-Y612 HydrophobicContact CG2-CD2 3.96Å; T605-Y612 HydrophobicContact CG2-CE1 3.4Å; T605-Y612 VanDerWaalsContact CG2-CE1 3.4Å; T605-Y612 HydrophobicContact CG2-CE2 3.65Å; T605-Y612 HydrophobicContact CG2-CG 4Å; T605-Y612 WeakPolarHBondContact CG2-O 3.49Å; T605-Y612 PolarHBondContact N-O 3.5Å; T605-Y612 PolarHBondContact O-N 2.96Å; T605-A614 HydrophobicContact CG2-CB 3.65Å; T605-Y622 WeakPolarHBondContact CA-O 3.49Å
606	A	96	Very high	95.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.			trans	-112.2	17.1	-177.9	0	0	0	0	0	114.8	N509 K512 M530 H608 Y622 W625	N509-A606 HydrophobicContact CB-CB 4.24Å; K512-A606 HydrophobicContact CB-CB 4.41Å; K512-A606 HydrophobicContact CD-CB 4.14Å; K512-A606 VanDerWaalsContact CD-O 3.27Å; K512-A606 WeakPolarHBondContact CD-O 3.48Å; K512-A606 PolarHBondContact NZ-O 3.22Å; M530-A606 HydrophobicContact CE-CB 4.18Å; M530-A606 HydrophobicContact CG-CB 4.29Å; M530-A606 HydrophobicContact SD-CB 4.12Å; A606-H608 PolarHBondContact O-N 2.97Å; A606-Y622 PolarHBondContact N-O 3.47Å; A606-Y622 VanDerWaalsContact N-O 3.07Å; A606-W625 HydrophobicContact CB-CH2 3.93Å; A606-W625 HydrophobicContact CB-CZ2 4.05Å
607	H	92.1	Very high	95	Very high	83 Å²	83	48.5 Å²	48.5	38%	0.384	27%	0.266	S	S	.	.	S	Bend	trans	-57.6	-33.1	-179	-81.7	-68.8	0	0	0	114.1	T605 Y612 D620 Y622	T605-H607 PolarHBondContact OG1-CD2 2.97Å; H607-Y612 HydrophobicContact CB-CE1 4.04Å; H607-D620 IonicContact CD2-OD2 3.63Å; H607-D620 IonicContact CE1-OD1 3.69Å; H607-D620 IonicContact CE1-OD2 3.82Å; H607-D620 IonicContact NE2-OD1 3.31Å; H607-D620 PolarHBondContact NE2-OD1 2.95Å; H607-D620 IonicContact NE2-OD2 2.78Å; H607-D620 PolarHBondContact NE2-OD2 3.13Å; H607-Y622 AromaticContact CE1-CD2 3.13Å; H607-Y622 WeakPolarHBondContact CE1-CD2 3.43Å; H607-Y622 AromaticContact CE1-CE2 3.73Å; H607-Y622 AromaticContact CE1-CG 3.57Å; H607-Y622 AromaticContact ND1-CD2 3.59Å; H607-Y622 AromaticContact ND1-CE2 3.96Å; H607-Y622 AromaticContact ND1-CG 3.73Å; H607-Y622 AromaticContact NE2-CD2 3.79Å; H607-Y622 AromaticContact NE2-CG 3.95Å
608	H	88.1	Confident	94.9	Very high	118 Å²	118	51.8 Å²	51.8	55%	0.546	29%	0.287	S	S	.	.	S	Bend	trans	-101	175.8	-179.3	-66.3	-45.1	0	0	0	111.9	K512 A606 N610 Y612	K512-H608 PolarHBondContact NZ-O 2.8Å; A606-H608 PolarHBondContact O-N 2.97Å; H608-N610 VanDerWaalsContact C-N 3.3Å; H608-N610 PolarHBondContact O-N 3.18Å; H608-Y612 HydrophobicContact CB-CD1 4.14Å; H608-Y612 HydrophobicContact CB-CE1 4Å; H608-Y612 AromaticContact CD2-CD1 3.67Å; H608-Y612 AromaticContact CD2-CE1 3.11Å; H608-Y612 WeakPolarHBondContact CD2-CE1 3.44Å; H608-Y612 AromaticContact CD2-CZ 3.48Å; H608-Y612 VanDerWaalsContact CD2-CZ 3.48Å; H608-Y612 AromaticContact CG-CE1 3.76Å; H608-Y612 AromaticContact NE2-CE1 3.97Å; H608-Y612 AromaticContact NE2-CZ 3.89Å
609	E	84.9	Confident	94.9	Very high	160 Å²	160	54.8 Å²	54.8	75%	0.748	31%	0.309	S	S	*	.	S	Bend	trans	-55.2	-48	176.3	-170.9	175.5	-174.5	0	0	111.3
610	N	93.2	Very high	95.1	Very high	59 Å²	59	54 Å²	54	32%	0.316	30%	0.295	S	S	.	.	S	Bend	trans	-100.2	138.9	175	-59.6	-21	0	0	0	110.5	P527 L528 H608	P527-N610 HydrophobicContact CB-CB 4.41Å; L528-N610 WeakPolarHBondContact O-CB 3.33Å; L528-N610 PolarHBondContact O-OD1 3Å; H608-N610 VanDerWaalsContact C-N 3.3Å; H608-N610 PolarHBondContact O-N 3.18Å
611	P	95.1	Very high	95.1	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.026	31%	0.305	C	S	.	.			trans	-60.3	144.7	173	-21.9	34.1	0	0	0	112.1	L516 L528 M530 L604 T605	L516-P611 HydrophobicContact CD1-CB 4.33Å; L516-P611 HydrophobicContact CD1-CG 3.59Å; L528-P611 HydrophobicContact CB-CG 4.36Å; L528-P611 WeakPolarHBondContact O-CD 3.26Å; M530-P611 HydrophobicContact CG-CG 4.17Å; M530-P611 HydrophobicContact SD-CG 3.7Å; L604-P611 HydrophobicContact CD1-CB 3.86Å; L604-P611 HydrophobicContact CG-CB 4.46Å; T605-P611 WeakPolarHBondContact O-CA 3.28Å
612	Y	96.4	Very high	95.2	Very high	55 Å²	55	55.5 Å²	55.5	22%	0.216	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	171.7	-178.9	71.7	-79.9	0	0	0	111	L565 T605 H607 H608 A614	L565-Y612 WeakPolarHBondContact O-CB 3.5Å; T605-Y612 HydrophobicContact CG2-CD1 3.74Å; T605-Y612 HydrophobicContact CG2-CD2 3.96Å; T605-Y612 HydrophobicContact CG2-CE1 3.4Å; T605-Y612 VanDerWaalsContact CG2-CE1 3.4Å; T605-Y612 HydrophobicContact CG2-CE2 3.65Å; T605-Y612 HydrophobicContact CG2-CG 4Å; T605-Y612 WeakPolarHBondContact CG2-O 3.49Å; T605-Y612 PolarHBondContact N-O 3.5Å; T605-Y612 PolarHBondContact O-N 2.96Å; H607-Y612 HydrophobicContact CB-CE1 4.04Å; H608-Y612 HydrophobicContact CB-CD1 4.14Å; H608-Y612 HydrophobicContact CB-CE1 4Å; H608-Y612 AromaticContact CD2-CD1 3.67Å; H608-Y612 AromaticContact CD2-CE1 3.11Å; H608-Y612 WeakPolarHBondContact CD2-CE1 3.44Å; H608-Y612 AromaticContact CD2-CZ 3.48Å; H608-Y612 VanDerWaalsContact CD2-CZ 3.48Å; H608-Y612 AromaticContact CG-CE1 3.76Å; H608-Y612 AromaticContact NE2-CE1 3.97Å; H608-Y612 AromaticContact NE2-CZ 3.89Å; Y612-A614 HydrophobicContact CE2-CB 4.11Å
613	L	97.3	Very high	95.2	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135	177.4	-71.9	171.3	0	0	0	111.6	G564 L565 V567 W587 L597 L600 M602 C603	G564-L613 WeakPolarHBondContact O-CD1 3.27Å; L565-L613 WeakPolarHBondContact CD2-O 3.36Å; L565-L613 PolarHBondContact O-N 3.41Å; V567-L613 HydrophobicContact CG2-CD1 4.43Å; V567-L613 HydrophobicContact CG2-CD2 4.28Å; V567-L613 HydrophobicContact CG2-CG 3.73Å; W587-L613 HydrophobicContact CH2-CD2 3.73Å; W587-L613 HydrophobicContact CZ3-CD2 3.9Å; L597-L613 HydrophobicContact CB-CD2 4.34Å; L597-L613 HydrophobicContact CD2-CD1 3.87Å; L600-L613 HydrophobicContact CD1-CD1 3.69Å; M602-L613 HydrophobicContact CB-CB 4.03Å; M602-L613 HydrophobicContact CB-CD2 4.14Å; M602-L613 HydrophobicContact CB-CG 4.5Å; M602-L613 HydrophobicContact SD-CB 4.06Å; C603-L613 WeakPolarHBondContact O-CA 3.49Å
614	A	97.1	Very high	95.2	Very high	12 Å²	12	55.5 Å²	55.5	10%	0.099	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163.9	175.6	0	0	0	0	0	111.3	M602 C603 T605 Y612 C616	M602-A614 WeakPolarHBondContact CA-O 3.49Å; M602-A614 WeakPolarHBondContact CB-O 3.45Å; C603-A614 PolarHBondContact N-O 3.24Å; C603-A614 PolarHBondContact O-N 3.11Å; T605-A614 HydrophobicContact CG2-CB 3.65Å; Y612-A614 HydrophobicContact CE2-CB 4.11Å; A614-C616 PolarHBondContact O-N 2.78Å
615	P	97.1	Very high	95.1	Very high	103 Å²	103	55.7 Å²	55.7	67%	0.669	29%	0.294	S	S	*	.			trans	-54	133.7	169.6	-25.3	35	0	0	0	111.3	N617 Q623	P615-N617 PolarHBondContact O-N 3.24Å; P615-Q623 PolarHBondContact O-NE2 2.92Å
616	C	96.6	Very high	94.9	Very high	50 Å²	50	57.7 Å²	57.7	34%	0.338	31%	0.308	S	S	.	.			trans	-64.4	121.2	-176.7	-65.8	0	0	0	0	111.7	L594 Y596 C603 A614	L594-C616 HydrophobicContact CD1-CB 4.42Å; Y596-C616 VanDerWaalsContact CD2-SG 3.57Å; C603-C616 HydrophobicContact CB-CB 3.97Å; C603-C616 WeakPolarHBondContact CB-SG 3.36Å; C603-C616 PolarHBondContact N-SG 3.33Å; C603-C616 WeakPolarHBondContact SG-CB 3.4Å; C603-C616 CovalentContact SG-SG 2.05Å; C603-C616 PolarHBondContact SG-SG 3.5Å; A614-C616 PolarHBondContact O-N 2.78Å
617	N	96.4	Very high	94.6	Very high	74 Å²	74	60.9 Å²	60.9	40%	0.396	32%	0.322	S	S	.	.			trans	-130.1	101	177.2	-177.8	2.5	0	0	0	109.9	P615 S619 D620	P615-N617 PolarHBondContact O-N 3.24Å; N617-S619 PolarHBondContact O-N 3.32Å; N617-S619 WeakPolarHBondContact OD1-CB 3.46Å; N617-S619 PolarHBondContact OD1-N 2.86Å; N617-S619 VanDerWaalsContact OD1-N 3.1Å; N617-D620 HydrophobicContact CB-CB 3.94Å; N617-D620 WeakPolarHBondContact O-CB 3.35Å; N617-D620 PolarHBondContact O-N 3.07Å
618	P	94.5	Very high	94.7	Very high	70 Å²	70	59.8 Å²	59.8	46%	0.455	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.6	179.5	-24.1	33.5	0	0	0	114.8	L594 H624	L594-P618 HydrophobicContact CD1-CG 4.13Å; P618-H624 PolarHBondContact O-CE1 2.97Å; P618-H624 PolarHBondContact O-NE2 3.18Å
619	S	95.3	Very high	95.1	Very high	106 Å²	106	56.7 Å²	56.7	74%	0.741	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.1	177.8	-56.4	0	0	0	0	113.3	N617	N617-S619 PolarHBondContact O-N 3.32Å; N617-S619 WeakPolarHBondContact OD1-CB 3.46Å; N617-S619 PolarHBondContact OD1-N 2.86Å; N617-S619 VanDerWaalsContact OD1-N 3.1Å
620	D	96.5	Very high	95.7	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.139	28%	0.282	C	S	.	.			trans	-88.1	108.2	-178.5	-176.5	3.4	0	0	0	111.1	H607 N617 Y622 Q623 H624	H607-D620 IonicContact CD2-OD2 3.63Å; H607-D620 IonicContact CE1-OD1 3.69Å; H607-D620 IonicContact CE1-OD2 3.82Å; H607-D620 IonicContact NE2-OD1 3.31Å; H607-D620 PolarHBondContact NE2-OD1 2.95Å; H607-D620 IonicContact NE2-OD2 2.78Å; H607-D620 PolarHBondContact NE2-OD2 3.13Å; N617-D620 HydrophobicContact CB-CB 3.94Å; N617-D620 WeakPolarHBondContact O-CB 3.35Å; N617-D620 PolarHBondContact O-N 3.07Å; D620-Y622 PolarHBondContact O-N 3.07Å; D620-Y622 WeakPolarHBondContact OD1-CB 3.49Å; D620-Y622 WeakPolarHBondContact OD1-CD2 3.35Å; D620-Y622 PolarHBondContact OD1-N 2.91Å; D620-Y622 VanDerWaalsContact OD1-N 3.07Å; D620-Q623 HydrophobicContact CB-CG 4.14Å; D620-Q623 WeakPolarHBondContact O-CB 3.42Å; D620-Q623 PolarHBondContact O-N 3.26Å; D620-H624 PolarHBondContact O-CD2 3.31Å
621	Q	95.9	Very high	95.8	Very high	119 Å²	119	50.5 Å²	50.5	56%	0.556	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.2	-178.7	-65	-176.4	-7.4	0	0	113.3	G511 Q623 H624	G511-Q621 PolarHBondContact N-O 3.31Å; Q621-Q623 PolarHBondContact O-N 3.37Å; Q621-H624 PolarHBondContact O-N 3.1Å
622	Y	96.9	Very high	95.8	Very high	89 Å²	89	53.4 Å²	53.4	35%	0.349	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-73.7	-8.7	174.8	-65.3	-88.4	0	0	0	112.8	N509 K512 T605 A606 H607 D620	N509-Y622 PolarHBondContact ND2-O 3.19Å; K512-Y622 HydrophobicContact CB-CD1 4.18Å; K512-Y622 HydrophobicContact CB-CE1 4.16Å; T605-Y622 WeakPolarHBondContact CA-O 3.49Å; A606-Y622 PolarHBondContact N-O 3.47Å; A606-Y622 VanDerWaalsContact N-O 3.07Å; H607-Y622 AromaticContact CE1-CD2 3.13Å; H607-Y622 WeakPolarHBondContact CE1-CD2 3.43Å; H607-Y622 AromaticContact CE1-CE2 3.73Å; H607-Y622 AromaticContact CE1-CG 3.57Å; H607-Y622 AromaticContact ND1-CD2 3.59Å; H607-Y622 AromaticContact ND1-CE2 3.96Å; H607-Y622 AromaticContact ND1-CG 3.73Å; H607-Y622 AromaticContact NE2-CD2 3.79Å; H607-Y622 AromaticContact NE2-CG 3.95Å; D620-Y622 PolarHBondContact O-N 3.07Å; D620-Y622 WeakPolarHBondContact OD1-CB 3.49Å; D620-Y622 WeakPolarHBondContact OD1-CD2 3.35Å; D620-Y622 PolarHBondContact OD1-N 2.91Å; D620-Y622 VanDerWaalsContact OD1-N 3.07Å
623	Q	97.3	Very high	95.8	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.023	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-99.6	-1.7	172.1	-58.5	-168.2	12.8	0	0	113.5	L594 P615 D620 Q621 W625	L594-Q623 HydrophobicContact CD2-CB 3.52Å; L594-Q623 WeakPolarHBondContact CD2-O 3.49Å; P615-Q623 PolarHBondContact O-NE2 2.92Å; D620-Q623 HydrophobicContact CB-CG 4.14Å; D620-Q623 WeakPolarHBondContact O-CB 3.42Å; D620-Q623 PolarHBondContact O-N 3.26Å; Q621-Q623 PolarHBondContact O-N 3.37Å; Q623-W625 PolarHBondContact O-NE1 2.93Å
624	H	97.3	Very high	95.7	Very high	33 Å²	33	57.1 Å²	57.1	15%	0.153	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-90.1	125.5	179.3	-62.8	173.5	0	0	0	110.3	N509 V510 Q593 P618 D620 Q621	N509-H624 PolarHBondContact ND2-O 3.07Å; V510-H624 HydrophobicContact CB-CB 3.87Å; V510-H624 HydrophobicContact CG2-CB 3.71Å; V510-H624 PolarHBondContact N-O 3.4Å; Q593-H624 HydrophobicContact CB-CB 4.17Å; Q593-H624 WeakPolarHBondContact O-CA 3.13Å; P618-H624 PolarHBondContact O-CE1 2.97Å; P618-H624 PolarHBondContact O-NE2 3.18Å; D620-H624 PolarHBondContact O-CD2 3.31Å; Q621-H624 PolarHBondContact O-N 3.1Å
625	W	96.4	Very high	95.6	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.011	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.6	-177.2	-58.1	89.9	0	0	0	111.3	V507 K508 N509 L516 M530 Q593 L595 L604 A606 Q623	V507-W625 HydrophobicContact CG1-CB 4.2Å; V507-W625 HydrophobicContact CG1-CE3 3.89Å; K508-W625 CarbonylContact O-C 3.46Å; K508-W625 WeakPolarHBondContact O-CA 3.38Å; N509-W625 HydrophobicContact CB-CD2 4.43Å; N509-W625 HydrophobicContact CB-CE3 3.82Å; N509-W625 HydrophobicContact CB-CH2 4.04Å; N509-W625 HydrophobicContact CB-CZ3 3.64Å; N509-W625 WeakPolarHBondContact ND2-CZ2 3.07Å; L516-W625 HydrophobicContact CB-CZ3 4.41Å; M530-W625 HydrophobicContact CE-CH2 4.03Å; M530-W625 HydrophobicContact CE-CZ3 3.91Å; M530-W625 HydrophobicContact SD-CH2 3.77Å; M530-W625 HydrophobicContact SD-CZ3 4.07Å; Q593-W625 PolarHBondContact O-N 2.99Å; L595-W625 HydrophobicContact CD1-CB 3.75Å; L595-W625 HydrophobicContact CD1-CD2 4.09Å; L595-W625 HydrophobicContact CD1-CG 3.61Å; L595-W625 HydrophobicContact CG-CB 3.92Å; L595-W625 HydrophobicContact CG-CG 3.96Å; L604-W625 HydrophobicContact CB-CZ2 4.39Å; L604-W625 HydrophobicContact CD2-CD2 4.29Å; L604-W625 HydrophobicContact CD2-CH2 4.08Å; L604-W625 HydrophobicContact CD2-CZ2 3.64Å; L604-W625 HydrophobicContact CG-CH2 4.39Å; L604-W625 HydrophobicContact CG-CZ2 3.62Å; L604-W625 PolarHBondContact O-NE1 3.23Å; A606-W625 HydrophobicContact CB-CH2 3.93Å; A606-W625 HydrophobicContact CB-CZ2 4.05Å; Q623-W625 PolarHBondContact O-NE1 2.93Å
626	S	93.5	Very high	95.5	Very high	43 Å²	43	57 Å²	57	30%	0.301	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.4	178.3	54.5	0	0	0	0	110.1	V507 K508	V507-S626 CarbonylContact C-O 3.49Å; V507-S626 WeakPolarHBondContact CA-O 3.11Å; K508-S626 PolarHBondContact N-O 2.72Å; K508-S626 PolarHBondContact O-N 3.3Å; K508-S626 PolarHBondContact O-OG 2.78Å
627	F	89.1	Confident	95.4	Very high	66 Å²	66	57.6 Å²	57.6	29%	0.289	31%	0.31	S	S	.	.			trans	-92.7	0	176.1	-96.9	-88.8	0	0	0	111.9	F503 S506 V507 F542 I550 L589	F503-F627 HydrophobicContact CB-CB 3.77Å; F503-F627 HydrophobicContact CB-CD1 3.77Å; F503-F627 HydrophobicContact CB-CD2 4.24Å; F503-F627 HydrophobicContact CB-CE1 4.41Å; F503-F627 HydrophobicContact CB-CG 3.66Å; F503-F627 HydrophobicContact CG-CB 4.22Å; F503-F627 HydrophobicContact CG-CG 4.36Å; S506-F627 VanDerWaalsContact O-OXT 3.12Å; V507-F627 HydrophobicContact CG1-CE2 4.34Å; V507-F627 HydrophobicContact CG2-CD1 3.99Å; V507-F627 HydrophobicContact CG2-CE1 3.52Å; V507-F627 HydrophobicContact CG2-CE2 4.08Å; V507-F627 HydrophobicContact CG2-CG 4.46Å; V507-F627 HydrophobicContact CG2-CZ 3.56Å; F542-F627 HydrophobicContact CB-CE1 4.2Å; I550-F627 HydrophobicContact CG2-CZ 4.47Å; L589-F627 HydrophobicContact CD2-CD2 4.3Å

Retrieved 627 of 627 residues in 165.4 ms (Link to these results)

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