A0A087XAX0_POEFO Loading...

Plasminogen

Plasmin dissolves the fibrin of blood clots and acts as a proteolytic factor in a variety of other processes including embryonic development, tissue remodeling, tumor invasion, and inflammation. In ovulation, weakens the walls of the Graafian follicle. It activates the urokinase-type plasminogen activator, collagenases and several complement zymogens, such as C1 and C5. Cleavage of fibronectin and laminin leads to cell detachment and apoptosis. Also cleaves fibrin, thrombospondin and von Willebrand factor. Its role in tissue remodeling and tumor invasion may be modulated by CSPG4. Binds to cells. Plasmin dissolves the fibrin of blood clots and acts as a proteolytic factor in a variety of other processes including embryonic development, tissue remodeling, tumor invasion, and inflammation. In ovulation, weakens the walls of the Graafian follicle. It activates the urokinase-type plasminogen activator, collagenases and several complement zymogens, such as C1, C4 and C5. Cleavage of fibronectin and laminin leads to cell detachment and apoptosis. Also cleaves fibrin, thrombospondin and von Willebrand factor. Its role in tissue remodeling and tumor invasion may be modulated by CSPG4. Binds to cells.

AlphaFold DB , UniProt , Accession A0A087XAX0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 792 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	29	Very low	234 Å²	234	161.5 Å²	161.5	100%	1.153	87%	0.867	S	S	*	*				0	87.5	0	-96.7	-168	-101	0	0	103.4
2	D	25.6	Very low	29.1	Very low	160 Å²	160	155.7 Å²	155.7	86%	0.856	86%	0.858	S	S	*	*			trans	-134.6	109.2	-161.2	-68.6	-78.1	0	0	0	109.6
3	L	30.3	Very low	28.7	Very low	154 Å²	154	158.6 Å²	158.6	81%	0.806	86%	0.857	S	S	*	*			trans	-94.1	150.5	153	-96.5	101.8	0	0	0	107.8
4	Y	31	Very low	28.7	Very low	219 Å²	219	158.1 Å²	158.1	86%	0.859	85%	0.852	S	S	*	*			trans	89.3	84.6	176.7	-62.2	-84	0	0	0	117
5	K	29.8	Very low	28.4	Very low	217 Å²	217	154.1 Å²	154.1	94%	0.943	84%	0.839	S	S	*	*			trans	-175.1	102.8	135.3	-101	167.7	-172.4	-177.5	0	109.7
6	A	26.2	Very low	28.5	Very low	109 Å²	109	151.7 Å²	151.7	90%	0.901	84%	0.837	S	S	*	*			trans	-143.4	97.1	157.3	0	0	0	0	0	107.6
7	A	28.4	Very low	28.4	Very low	95 Å²	95	149.7 Å²	149.7	79%	0.785	83%	0.83	S	S	*	*			trans	-82.4	129.9	176.6	0	0	0	0	0	109.9
8	L	29.3	Very low	28.5	Very low	154 Å²	154	145.7 Å²	145.7	81%	0.806	83%	0.828	S	S	*	*			trans	9.6	105.4	144.7	-79.9	138.6	0	0	0	117.4
9	L	25.5	Very low	28.7	Very low	175 Å²	175	140.6 Å²	140.6	92%	0.916	81%	0.811	S	S	*	*			trans	-134.5	78.9	147.8	-91	163.8	0	0	0	107.3	G11	L9-G11 PolarHBondContact O-N 2.98Å
10	F	28.8	Very low	29.8	Very low	197 Å²	197	138.4 Å²	138.4	86%	0.864	80%	0.8	S	S	*	*			trans	-78.9	103.5	162.8	-102.7	-84.1	0	0	0	107.4	A12	F10-A12 PolarHBondContact O-N 3.02Å
11	G	25.6	Very low	31.2	Very low	63 Å²	63	140 Å²	140	65%	0.649	80%	0.8	S	S	*	*			trans	-63	123.5	169.1	0	0	0	0	0	109.9	L9 F13	L9-G11 PolarHBondContact O-N 2.98Å; G11-F13 PolarHBondContact O-N 3.3Å
12	A	30.1	Very low	33.2	Very low	91 Å²	91	129.9 Å²	129.9	75%	0.752	75%	0.752	S	S	*	*			trans	-64	97.7	165	0	0	0	0	0	108.8	F10 I14	F10-A12 PolarHBondContact O-N 3.02Å; A12-I14 PolarHBondContact O-N 3.26Å
13	F	24.6	Very low	35.7	Very low	194 Å²	194	129.7 Å²	129.7	85%	0.851	75%	0.75	S	S	*	*			trans	-77.5	96	158.6	-114.7	-91.2	0	0	0	107.2	G11 C15	G11-F13 PolarHBondContact O-N 3.3Å; F13-C15 VanDerWaalsContact C-N 3.25Å; F13-C15 PolarHBondContact O-N 2.84Å
14	I	28.7	Very low	38.1	Very low	152 Å²	152	124.5 Å²	124.5	78%	0.779	73%	0.734	S	S	*	*			trans	-70.8	89.3	166.4	-60.1	173.7	0	0	0	106.2	A12 S16	A12-I14 PolarHBondContact O-N 3.26Å; I14-S16 PolarHBondContact O-N 3.34Å
15	C	23.3	Very low	40.8	Very low	98 Å²	98	114.9 Å²	114.9	66%	0.662	70%	0.696	S	S	*	*			trans	-78.4	103.9	156.7	-78.3	0	0	0	0	107	F13 V17	F13-C15 VanDerWaalsContact C-N 3.25Å; F13-C15 PolarHBondContact O-N 2.84Å; C15-V17 VanDerWaalsContact C-N 3.25Å; C15-V17 HydrophobicContact CB-CG2 4.36Å; C15-V17 PolarHBondContact O-N 3.28Å
16	S	30.4	Very low	43.5	Very low	115 Å²	115	106.7 Å²	106.7	80%	0.804	67%	0.666	S	S	*	*			trans	-66.6	88.4	162.9	53.4	0	0	0	0	108.7	I14	I14-S16 PolarHBondContact O-N 3.34Å
17	V	27	Very low	46.4	Very low	118 Å²	118	104.7 Å²	104.7	72%	0.715	64%	0.637	S	S	*	*			trans	-110.1	119.7	162.5	-179.7	0	0	0	0	105.6	C15 G19	C15-V17 VanDerWaalsContact C-N 3.25Å; C15-V17 HydrophobicContact CB-CG2 4.36Å; C15-V17 PolarHBondContact O-N 3.28Å; V17-G19 VanDerWaalsContact C-N 3.25Å; V17-G19 PolarHBondContact O-N 2.9Å
18	G	30.6	Very low	49.1	Very low	77 Å²	77	100.8 Å²	100.8	79%	0.794	60%	0.604	S	S	*	*			trans	-63.4	88.9	169.7	0	0	0	0	0	109.3	T20	G18-T20 PolarHBondContact O-N 3.14Å
19	G	32.8	Very low	51.7	Low	49 Å²	49	96.9 Å²	96.9	51%	0.505	58%	0.581	S	S	.	*			trans	-83.7	103.8	-176.9	0	0	0	0	0	111.2	V17 E21	V17-G19 VanDerWaalsContact C-N 3.25Å; V17-G19 PolarHBondContact O-N 2.9Å; G19-E21 VanDerWaalsContact C-N 3.3Å
20	T	49.8	Very low	54.5	Low	97 Å²	97	89 Å²	89	60%	0.595	54%	0.542	S	S	*	.			trans	-82.7	-6.5	170.8	46.6	0	0	0	0	113.4	G18	G18-T20 PolarHBondContact O-N 3.14Å
21	E	59	Low	57.2	Low	171 Å²	171	79.6 Å²	79.6	80%	0.799	50%	0.501	S	S	*	.			trans	-104.2	131.7	-177	-67.7	-172.4	156.2	0	0	111.2	G19	G19-E21 VanDerWaalsContact C-N 3.3Å
22	V	79.6	Confident	60.2	Low	23 Å²	23	79 Å²	79	14%	0.139	48%	0.48	C	S	.	.			trans	-111	114.8	173.4	-175.9	0	0	0	0	107.6	Y25 V46 A50	V22-Y25 HydrophobicContact CB-CD2 4.34Å; V22-Y25 HydrophobicContact CG1-CD2 3.73Å; V22-Y25 HydrophobicContact CG1-CE2 4.12Å; V22-Y25 PolarHBondContact O-N 3.47Å; V22-V46 HydrophobicContact CG2-CB 4.41Å; V22-V46 HydrophobicContact CG2-CG1 3.87Å; V22-V46 HydrophobicContact CG2-CG2 3.77Å; V22-A50 HydrophobicContact CG1-CB 3.64Å
23	D	78.2	Confident	62.9	Low	155 Å²	155	75 Å²	75	83%	0.829	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	139.4	-178.4	-79.8	-27.5	0	0	0	112.4	Y25	D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 WeakPolarHBondContact O-CD2 3.5Å
24	G	81.1	Confident	65.8	Low	45 Å²	45	69.5 Å²	69.5	46%	0.464	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-2.1	-179.3	0	0	0	0	0	115.4	K97	G24-K97 PolarHBondContact O-N 2.9Å
25	Y	87.8	Confident	68.5	Low	18 Å²	18	63 Å²	63	7%	0.071	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.4	178.1	-68.9	-98.5	0	0	0	112.5	V22 D23 C53 E54 F64 E95 K96 K97	V22-Y25 HydrophobicContact CB-CD2 4.34Å; V22-Y25 HydrophobicContact CG1-CD2 3.73Å; V22-Y25 HydrophobicContact CG1-CE2 4.12Å; V22-Y25 PolarHBondContact O-N 3.47Å; D23-Y25 VanDerWaalsContact C-N 3.32Å; D23-Y25 WeakPolarHBondContact O-CD2 3.5Å; Y25-C53 PolarHBondContact OH-SG 3.29Å; Y25-E54 PolarHBondContact OH-OE1 3.34Å; Y25-F64 HydrophobicContact CD1-CD1 4.06Å; Y25-F64 AromaticContact CD1-CE1 3.62Å; Y25-F64 HydrophobicContact CD1-CE1 3.62Å; Y25-F64 HydrophobicContact CD2-CE1 4.39Å; Y25-F64 AromaticContact CE1-CD1 3.49Å; Y25-F64 HydrophobicContact CE1-CD1 3.49Å; Y25-F64 VanDerWaalsContact CE1-CD1 3.49Å; Y25-F64 AromaticContact CE1-CE1 3.33Å; Y25-F64 HydrophobicContact CE1-CE1 3.33Å; Y25-F64 HydrophobicContact CE2-CE1 4.18Å; Y25-F64 HydrophobicContact CG-CE1 4.13Å; Y25-F64 AromaticContact CZ-CD1 3.98Å; Y25-F64 AromaticContact CZ-CE1 3.63Å; Y25-E95 CarbonylContact C-O 3.58Å; Y25-E95 WeakPolarHBondContact CA-O 3.33Å; Y25-K96 HydrophobicContact CD1-CG 3.92Å; Y25-K96 HydrophobicContact CE1-CB 4.35Å; Y25-K96 HydrophobicContact CE1-CD 4.36Å; Y25-K96 HydrophobicContact CE1-CG 3.31Å; Y25-K96 HydrophobicContact CE2-CG 4.36Å; Y25-K96 WeakPolarHBondContact OH-CE 3.39Å; Y25-K97 WeakPolarHBondContact O-CE 3.3Å
26	S	86.1	Confident	71.5	Confident	44 Å²	44	66.1 Å²	66.1	31%	0.308	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.2	164.2	-170.6	0	0	0	0	108.2	Y94 E95	S26-Y94 CarbonylContact O-C 3.54Å; S26-Y94 WeakPolarHBondContact O-CA 3.36Å; S26-E95 PolarHBondContact N-O 2.67Å; S26-E95 PolarHBondContact O-N 2.9Å
27	K	87.9	Confident	74.1	Confident	67 Å²	67	65.6 Å²	65.6	29%	0.291	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.4	-178.5	-176.9	-175.9	177.6	-170.3	0	110.3	E29 L93 Y94	K27-E29 WeakPolarHBondContact CE-OE1 3.37Å; K27-E29 IonicContact NZ-OE1 3.72Å; K27-E29 PolarHBondContact NZ-OE1 3.42Å; K27-L93 CarbonylContact C-O 3.56Å; K27-L93 WeakPolarHBondContact CA-O 3.42Å; K27-Y94 HydrophobicContact CB-CD1 4.09Å; K27-Y94 HydrophobicContact CB-CE1 3.93Å; K27-Y94 HydrophobicContact CD-CE1 3.71Å; K27-Y94 WeakPolarHBondContact CE-OH 3.42Å; K27-Y94 HydrophobicContact CG-CD1 4.14Å; K27-Y94 HydrophobicContact CG-CE1 3.65Å; K27-Y94 HydrophobicContact CG-CE2 4.44Å
28	T	84.3	Confident	77.2	Confident	13 Å²	13	64 Å²	64	8%	0.08	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	109.7	174.7	-49.5	0	0	0	0	109.6	A31 L93 A437 R439	T28-A31 HydrophobicContact CG2-CB 3.7Å; T28-L93 PolarHBondContact N-O 3.42Å; T28-L93 PolarHBondContact O-N 3.41Å; T28-A437 CarbonylContact C-O 3.54Å; T28-A437 WeakPolarHBondContact CA-O 3.21Å; T28-R439 HydrophobicContact CG2-CB 4.02Å
29	E	84.6	Confident	80.2	Confident	72 Å²	72	65.9 Å²	65.9	34%	0.336	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	145.3	176.6	-69.3	-71.4	-177.2	0	0	112	K27 A31 A437 V438 R439	K27-E29 WeakPolarHBondContact CE-OE1 3.37Å; K27-E29 IonicContact NZ-OE1 3.72Å; K27-E29 PolarHBondContact NZ-OE1 3.42Å; E29-A31 PolarHBondContact O-N 2.94Å; E29-A437 PolarHBondContact N-O 2.83Å; E29-V438 HydrophobicContact CB-CG1 4.44Å; E29-V438 HydrophobicContact CB-CG2 4.24Å; E29-R439 WeakPolarHBondContact O-CB 3.36Å; E29-R439 PolarHBondContact O-N 2.76Å
30	G	83.6	Confident	83	Confident	10 Å²	10	68.7 Å²	68.7	10%	0.103	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71	12.8	179.2	0	0	0	0	0	114.6	R87 R88 C91 W440	G30-R87 WeakPolarHBondContact O-CA 3.3Å; G30-R88 CarbonylContact C-O 3.54Å; G30-R88 VanDerWaalsContact C-O 3.24Å; G30-R88 VanDerWaalsContact CA-O 3.23Å; G30-R88 WeakPolarHBondContact CA-O 3.37Å; G30-R88 PolarHBondContact O-N 3.25Å; G30-R88 VanDerWaalsContact O-O 3.09Å; G30-C91 VanDerWaalsContact CA-O 3.23Å; G30-C91 WeakPolarHBondContact CA-O 3.46Å; G30-C91 PolarHBondContact N-O 3.23Å; G30-W440 PolarHBondContact O-NE1 2.02Å
31	A	85.9	Confident	84.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.5	-172.3	0	0	0	0	0	112.4	T28 E29 V85 C91 L93 R439	T28-A31 HydrophobicContact CG2-CB 3.7Å; E29-A31 PolarHBondContact O-N 2.94Å; A31-V85 HydrophobicContact CB-CG1 3.81Å; A31-C91 PolarHBondContact N-O 3.3Å; A31-C91 PolarHBondContact O-SG 2.91Å; A31-L93 HydrophobicContact CB-CB 3.84Å; A31-L93 HydrophobicContact CB-CD2 4.27Å; A31-L93 WeakPolarHBondContact O-CB 2.98Å; A31-L93 PolarHBondContact O-N 3.33Å; A31-R439 HydrophobicContact CB-CB 4Å; A31-R439 HydrophobicContact CB-CG 4.48Å
32	W	88.2	Confident	86.3	Confident	51 Å²	51	66.9 Å²	66.9	19%	0.193	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.6	163.6	74.6	-62.5	0	0	0	110.2	L34 V65 W74 V85 L86 R88	W32-L34 HydrophobicContact CH2-CD1 4.49Å; W32-V65 HydrophobicContact CB-CG1 4.25Å; W32-V65 HydrophobicContact CB-CG2 3.86Å; W32-W74 HydrophobicContact CE3-CE3 4.21Å; W32-W74 AromaticContact CE3-CZ3 3.79Å; W32-W74 HydrophobicContact CE3-CZ3 3.79Å; W32-W74 HydrophobicContact CH2-CZ3 4.42Å; W32-W74 HydrophobicContact CZ3-CE3 4.27Å; W32-W74 AromaticContact CZ3-CZ3 3.57Å; W32-W74 HydrophobicContact CZ3-CZ3 3.57Å; W32-V85 CarbonylContact O-C 3.44Å; W32-V85 WeakPolarHBondContact O-CA 3.29Å; W32-V85 WeakPolarHBondContact O-CG1 3.48Å; W32-L86 HydrophobicContact CZ2-CD1 3.87Å; W32-L86 PolarHBondContact N-O 2.75Å; W32-L86 VanDerWaalsContact NE1-CB 3.28Å; W32-L86 PolarHBondContact O-N 3.33Å; W32-R88 HydrophobicContact CG-CB 4.25Å
33	V	88.4	Confident	86.7	Confident	6 Å²	6	66 Å²	66	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.4	-179.2	64.5	0	0	0	0	110.8	S35 A63 A76 A78 E83 L93	V33-S35 PolarHBondContact O-N 3.3Å; V33-A63 HydrophobicContact CG1-CB 4.46Å; V33-A76 HydrophobicContact CG1-CB 3.91Å; V33-A78 HydrophobicContact CG2-CB 4.03Å; V33-E83 HydrophobicContact CG2-CB 3.98Å; V33-L93 HydrophobicContact CB-CD1 4.16Å; V33-L93 HydrophobicContact CB-CD2 4.41Å; V33-L93 HydrophobicContact CG1-CD1 3.9Å
34	L	84.1	Confident	86.8	Confident	79 Å²	79	62.7 Å²	62.7	41%	0.414	32%	0.319	S	S	.	.			trans	-72.8	115.1	170.1	-172	68.9	0	0	0	108.7	W32 E83 L84 L86	W32-L34 HydrophobicContact CH2-CD1 4.49Å; L34-E83 VanDerWaalsContact O-CB 3.27Å; L34-E83 WeakPolarHBondContact O-CB 3.35Å; L34-E83 WeakPolarHBondContact O-CG 3.23Å; L34-L84 PolarHBondContact N-O 2.62Å; L34-L86 HydrophobicContact CB-CD1 4.43Å; L34-L86 HydrophobicContact CD1-CD1 4.44Å
35	S	86.3	Confident	87.1	Confident	15 Å²	15	63.5 Å²	63.5	11%	0.105	31%	0.312	C	S	.	.			trans	-136.9	128.1	177.4	-163.4	0	0	0	0	110.7	V33 N37 A78	V33-S35 PolarHBondContact O-N 3.3Å; S35-N37 PolarHBondContact OG-O 3.37Å; S35-A78 WeakPolarHBondContact OG-CB 2.95Å; S35-A78 PolarHBondContact OG-N 3.31Å
36	L	85.2	Confident	87.1	Confident	163 Å²	163	63.3 Å²	63.3	85%	0.853	31%	0.313	S	S	*	.	S	Bend	trans	-71.5	-35.4	173.5	-63.8	175.6	0	0	0	111.3
37	N	86.7	Confident	87.3	Confident	104 Å²	104	65.5 Å²	65.5	56%	0.556	32%	0.324	S	S	*	.	S	Bend	trans	-98.3	95.3	177.5	-68.5	-20.4	0	0	0	109.7	S35 F59 A77	S35-N37 PolarHBondContact OG-O 3.37Å; N37-F59 HydrophobicContact CB-CD1 4.37Å; N37-A77 HydrophobicContact CB-CB 3.8Å; N37-A77 PolarHBondContact O-N 3.4Å
38	K	91.3	Very high	87.5	Confident	84 Å²	84	65.8 Å²	65.8	37%	0.365	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.6	-180	66.6	177.4	-176.4	175.2	0	112.4	W74 T75	K38-W74 HydrophobicContact CD-CE3 4.28Å; K38-T75 CarbonylContact C-O 3.59Å; K38-T75 WeakPolarHBondContact CA-O 3.11Å; K38-T75 VanDerWaalsContact CB-O 3.26Å; K38-T75 WeakPolarHBondContact CB-O 3.28Å
39	R	92.4	Very high	87.9	Confident	117 Å²	117	65.2 Å²	65.2	44%	0.442	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.9	166.6	-76.4	-172	-179.6	-177.2	-4.2	110.6	Y41 E56 S58 F59 W74 T75	R39-Y41 HydrophobicContact CB-CE2 3.73Å; R39-Y41 VanDerWaalsContact CD-OH 3.22Å; R39-Y41 WeakPolarHBondContact CD-OH 3.01Å; R39-E56 WeakPolarHBondContact CD-OE2 3.12Å; R39-E56 IonicContact CZ-OE1 3.14Å; R39-E56 IonicContact NE-OE1 3.91Å; R39-E56 IonicContact NH1-OE1 3.91Å; R39-E56 PolarHBondContact NH1-OE1 3.45Å; R39-S58 PolarHBondContact NE-OG 2.52Å; R39-F59 HydrophobicContact CG-CE1 4.17Å; R39-W74 CarbonylContact O-C 3.59Å; R39-W74 VanDerWaalsContact O-CA 3.25Å; R39-W74 WeakPolarHBondContact O-CA 3.4Å; R39-T75 PolarHBondContact N-O 2.91Å; R39-T75 PolarHBondContact O-N 3.24Å
40	Q	91.9	Very high	88.4	Confident	108 Å²	108	62.1 Å²	62.1	51%	0.505	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.3	-178	-57.4	-177.4	-43.1	0	0	109.9	C73 W74	Q40-C73 CarbonylContact C-O 3.35Å; Q40-C73 WeakPolarHBondContact CA-O 3.42Å; Q40-W74 VanDerWaalsContact CG-CD1 3.47Å; Q40-W74 HydrophobicContact CG-CD2 4.15Å; Q40-W74 HydrophobicContact CG-CG 3.88Å; Q40-W74 VanDerWaalsContact NE2-NE1 3.17Å
41	Y	90.5	Very high	88.8	Confident	55 Å²	55	64.3 Å²	64.3	22%	0.216	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.9	-178.2	-53.9	-80.6	0	0	0	109.2	R39 K52 E56 C73 T75	R39-Y41 HydrophobicContact CB-CE2 3.73Å; R39-Y41 VanDerWaalsContact CD-OH 3.22Å; R39-Y41 WeakPolarHBondContact CD-OH 3.01Å; Y41-K52 HydrophobicContact CD1-CD 4.22Å; Y41-K52 HydrophobicContact CD1-CG 4.45Å; Y41-K52 HydrophobicContact CD2-CB 4.06Å; Y41-K52 HydrophobicContact CD2-CG 4.14Å; Y41-K52 HydrophobicContact CE1-CD 4.31Å; Y41-K52 HydrophobicContact CE2-CB 4.03Å; Y41-K52 HydrophobicContact CE2-CG 4.46Å; Y41-K52 HydrophobicContact CG-CD 4.4Å; Y41-K52 HydrophobicContact CG-CG 4.14Å; Y41-E56 PolarHBondContact OH-OE2 2.01Å; Y41-C73 PolarHBondContact N-O 2.87Å; Y41-C73 PolarHBondContact O-N 3.2Å; Y41-T75 HydrophobicContact CD2-CG2 4.26Å; Y41-T75 HydrophobicContact CE2-CG2 3.79Å
42	M	88.4	Confident	89.2	Confident	176 Å²	176	68.8 Å²	68.8	87%	0.867	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.5	162.7	-68.3	-162.4	-67.8	0	0	108.5	Q71	M42-Q71 WeakPolarHBondContact CA-O 3.36Å
43	V	87.8	Confident	89.5	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.03	34%	0.338	C	S	.	.			trans	-141.4	154.4	-176.6	-57	0	0	0	0	110.2	E48 C49 K52 Y66 Q71 C73	V43-E48 HydrophobicContact CB-CB 3.91Å; V43-E48 HydrophobicContact CG1-CB 4.27Å; V43-C49 HydrophobicContact CG2-CB 3.94Å; V43-K52 HydrophobicContact CG1-CG 4.37Å; V43-Y66 HydrophobicContact CG2-CD2 3.93Å; V43-Y66 HydrophobicContact CG2-CE2 3.63Å; V43-Q71 PolarHBondContact N-O 2.04Å; V43-Q71 WeakPolarHBondContact O-CB 3.03Å; V43-C73 HydrophobicContact CB-CB 4.37Å; V43-C73 HydrophobicContact CG1-CB 4.12Å; V43-C73 HydrophobicContact CG2-CB 3.36Å
44	N	81.3	Confident	89.6	Confident	85 Å²	85	71.5 Å²	71.5	46%	0.455	36%	0.361	S	S	.	.	S	Bend	trans	-88	-22.6	-172.1	-64.8	-53.3	0	0	0	114	E48 Y66 Q71	N44-E48 PolarHBondContact N-OE2 2.92Å; N44-Y66 VanDerWaalsContact C-OH 3.28Å; N44-Y66 PolarHBondContact O-OH 3Å; N44-Y66 VanDerWaalsContact O-OH 3.05Å; N44-Q71 PolarHBondContact OD1-NE2 2.74Å; N44-Q71 VanDerWaalsContact OD1-NE2 3.17Å
45	N	85.8	Confident	90	Very high	61 Å²	61	71.3 Å²	71.3	33%	0.326	37%	0.371	S	S	.	.	S	Bend	trans	-150.3	166.8	-176.7	59.2	64.9	0	0	0	111.4	T47 E48 C49 Y66	N45-T47 VanDerWaalsContact C-N 3.31Å; N45-T47 PolarHBondContact O-N 2.92Å; N45-T47 WeakPolarHBondContact OD1-CB 3.03Å; N45-T47 PolarHBondContact OD1-N 2.83Å; N45-E48 PolarHBondContact ND2-OE1 3.2Å; N45-E48 VanDerWaalsContact ND2-OE1 3.09Å; N45-E48 PolarHBondContact O-N 3.43Å; N45-E48 WeakPolarHBondContact OD1-CG 3.35Å; N45-E48 PolarHBondContact OD1-N 2.87Å; N45-C49 PolarHBondContact O-N 3.1Å; N45-Y66 WeakPolarHBondContact CA-OH 3.3Å; N45-Y66 PolarHBondContact N-OH 3.15Å
46	V	88.6	Confident	90.2	Very high	15 Å²	15	71.5 Å²	71.5	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-34.9	-178.7	67.5	0	0	0	0	112.7	V22 E48 C49 A50 F64 Y66 Y94	V22-V46 HydrophobicContact CG2-CB 4.41Å; V22-V46 HydrophobicContact CG2-CG1 3.87Å; V22-V46 HydrophobicContact CG2-CG2 3.77Å; V46-E48 VanDerWaalsContact C-N 3.35Å; V46-E48 PolarHBondContact O-N 3.01Å; V46-C49 WeakPolarHBondContact O-CB 3.29Å; V46-C49 PolarHBondContact O-N 3.39Å; V46-C49 VanDerWaalsContact O-N 3.12Å; V46-A50 PolarHBondContact O-N 3.18Å; V46-F64 HydrophobicContact CG2-CE2 3.84Å; V46-F64 HydrophobicContact CG2-CZ 4.02Å; V46-Y66 HydrophobicContact CB-CD1 3.96Å; V46-Y66 HydrophobicContact CB-CE1 4.32Å; V46-Y66 HydrophobicContact CB-CG 4.46Å; V46-Y66 HydrophobicContact CG2-CD1 4.37Å; V46-Y94 HydrophobicContact CG2-CD1 4.36Å; V46-Y94 HydrophobicContact CG2-CD2 4.29Å; V46-Y94 HydrophobicContact CG2-CE1 3.75Å; V46-Y94 HydrophobicContact CG2-CE2 3.68Å; V46-Y94 WeakPolarHBondContact CG2-OH 3.17Å
47	T	90.2	Very high	90.3	Very high	89 Å²	89	70.1 Å²	70.1	55%	0.546	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-38.7	-178.8	-45.4	0	0	0	0	111.5	N45 A50 A51	N45-T47 VanDerWaalsContact C-N 3.31Å; N45-T47 PolarHBondContact O-N 2.92Å; N45-T47 WeakPolarHBondContact OD1-CB 3.03Å; N45-T47 PolarHBondContact OD1-N 2.83Å; T47-A50 PolarHBondContact O-N 3.32Å; T47-A51 WeakPolarHBondContact O-CB 3.49Å; T47-A51 PolarHBondContact O-N 3.19Å
48	E	91.9	Very high	90.2	Very high	74 Å²	74	68 Å²	68	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-41.8	171.5	-76	172.6	-156.4	0	0	111.4	V43 N44 N45 V46 A51 K52	V43-E48 HydrophobicContact CB-CB 3.91Å; V43-E48 HydrophobicContact CG1-CB 4.27Å; N44-E48 PolarHBondContact N-OE2 2.92Å; N45-E48 PolarHBondContact ND2-OE1 3.2Å; N45-E48 VanDerWaalsContact ND2-OE1 3.09Å; N45-E48 PolarHBondContact O-N 3.43Å; N45-E48 WeakPolarHBondContact OD1-CG 3.35Å; N45-E48 PolarHBondContact OD1-N 2.87Å; V46-E48 VanDerWaalsContact C-N 3.35Å; V46-E48 PolarHBondContact O-N 3.01Å; E48-A51 WeakPolarHBondContact O-CB 3.26Å; E48-A51 PolarHBondContact O-N 3.25Å; E48-K52 WeakPolarHBondContact O-CG 3.48Å; E48-K52 PolarHBondContact O-N 3.25Å
49	C	93.6	Very high	90.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-42.6	176.5	-165.9	0	0	0	0	112	V43 N45 V46 A51 K52 C53 F64 Y66 C73	V43-C49 HydrophobicContact CG2-CB 3.94Å; N45-C49 PolarHBondContact O-N 3.1Å; V46-C49 WeakPolarHBondContact O-CB 3.29Å; V46-C49 PolarHBondContact O-N 3.39Å; V46-C49 VanDerWaalsContact O-N 3.12Å; C49-A51 VanDerWaalsContact C-N 3.34Å; C49-A51 PolarHBondContact O-N 2.81Å; C49-K52 WeakPolarHBondContact O-CB 3.45Å; C49-K52 PolarHBondContact O-N 2.86Å; C49-K52 VanDerWaalsContact O-N 3.16Å; C49-C53 PolarHBondContact O-N 2.79Å; C49-F64 HydrophobicContact CB-CD2 4Å; C49-F64 HydrophobicContact CB-CE2 4.01Å; C49-F64 WeakPolarHBondContact SG-CD2 3.31Å; C49-Y66 HydrophobicContact CB-CD2 4.23Å; C49-C73 WeakPolarHBondContact CA-SG 3.46Å; C49-C73 HydrophobicContact CB-CB 3.75Å; C49-C73 WeakPolarHBondContact CB-SG 3.32Å; C49-C73 WeakPolarHBondContact SG-CB 3.2Å; C49-C73 CovalentContact SG-SG 2.02Å; C49-C73 PolarHBondContact SG-SG 2.9Å
50	A	93.5	Very high	89.9	Confident	7 Å²	7	63 Å²	63	6%	0.058	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-43.2	174.2	0	0	0	0	0	111.6	V22 V46 T47 K52 C53 E54 F64	V22-A50 HydrophobicContact CG1-CB 3.64Å; V46-A50 PolarHBondContact O-N 3.18Å; T47-A50 PolarHBondContact O-N 3.32Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 2.88Å; A50-C53 WeakPolarHBondContact O-CA 3.27Å; A50-C53 WeakPolarHBondContact O-CB 3.37Å; A50-C53 PolarHBondContact O-N 3.02Å; A50-E54 PolarHBondContact O-N 3.46Å; A50-F64 HydrophobicContact CB-CE1 3.7Å; A50-F64 HydrophobicContact CB-CZ 3.8Å
51	A	92.6	Very high	89.9	Confident	57 Å²	57	58 Å²	58	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-61.4	-36.5	175.2	0	0	0	0	0	112.4	T47 E48 C49 C53 E54 A55	T47-A51 WeakPolarHBondContact O-CB 3.49Å; T47-A51 PolarHBondContact O-N 3.19Å; E48-A51 WeakPolarHBondContact O-CB 3.26Å; E48-A51 PolarHBondContact O-N 3.25Å; C49-A51 VanDerWaalsContact C-N 3.34Å; C49-A51 PolarHBondContact O-N 2.81Å; A51-C53 VanDerWaalsContact C-N 3.33Å; A51-E54 PolarHBondContact O-N 3.12Å; A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 2.97Å
52	K	94.6	Very high	90.1	Very high	94 Å²	94	56 Å²	56	41%	0.409	32%	0.318	S	S	.	.	H	α-helix	trans	-62.9	-39.2	171.7	-65.1	-60	-179	-175.1	0	112.1	Y41 V43 E48 C49 A50 E56 T75	Y41-K52 HydrophobicContact CD1-CD 4.22Å; Y41-K52 HydrophobicContact CD1-CG 4.45Å; Y41-K52 HydrophobicContact CD2-CB 4.06Å; Y41-K52 HydrophobicContact CD2-CG 4.14Å; Y41-K52 HydrophobicContact CE1-CD 4.31Å; Y41-K52 HydrophobicContact CE2-CB 4.03Å; Y41-K52 HydrophobicContact CE2-CG 4.46Å; Y41-K52 HydrophobicContact CG-CD 4.4Å; Y41-K52 HydrophobicContact CG-CG 4.14Å; V43-K52 HydrophobicContact CG1-CG 4.37Å; E48-K52 WeakPolarHBondContact O-CG 3.48Å; E48-K52 PolarHBondContact O-N 3.25Å; C49-K52 WeakPolarHBondContact O-CB 3.45Å; C49-K52 PolarHBondContact O-N 2.86Å; C49-K52 VanDerWaalsContact O-N 3.16Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 2.88Å; K52-E56 PolarHBondContact O-N 2.85Å; K52-T75 HydrophobicContact CB-CG2 4.14Å
53	C	94	Very high	90.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-39.6	176.4	-175.2	0	0	0	0	112.4	Y25 C49 A50 A51 E56 C61 F64 T75	Y25-C53 PolarHBondContact OH-SG 3.29Å; C49-C53 PolarHBondContact O-N 2.79Å; A50-C53 WeakPolarHBondContact O-CA 3.27Å; A50-C53 WeakPolarHBondContact O-CB 3.37Å; A50-C53 PolarHBondContact O-N 3.02Å; A51-C53 VanDerWaalsContact C-N 3.33Å; C53-E56 PolarHBondContact O-N 2.99Å; C53-C61 WeakPolarHBondContact CA-SG 3.48Å; C53-C61 HydrophobicContact CB-CB 4.11Å; C53-C61 WeakPolarHBondContact CB-SG 3.48Å; C53-C61 WeakPolarHBondContact O-CB 3.37Å; C53-C61 WeakPolarHBondContact SG-CB 3.24Å; C53-C61 CovalentContact SG-SG 2.03Å; C53-C61 PolarHBondContact SG-SG 3.23Å; C53-F64 HydrophobicContact CB-CB 4.3Å; C53-F64 HydrophobicContact CB-CD1 3.92Å; C53-F64 HydrophobicContact CB-CG 4.47Å; C53-T75 HydrophobicContact CB-CG2 3.94Å
54	E	91.7	Very high	90.8	Very high	112 Å²	112	47.3 Å²	47.3	52%	0.523	28%	0.276	S	S	.	.	H	α-helix	trans	-70.5	-31.7	176.1	-63.3	-51.2	148.6	0	0	113.2	Y25 A50 A51 E56 K96	Y25-E54 PolarHBondContact OH-OE1 3.34Å; A50-E54 PolarHBondContact O-N 3.46Å; A51-E54 PolarHBondContact O-N 3.12Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E54-K96 WeakPolarHBondContact OE1-CE 3.39Å; E54-K96 IonicContact OE1-NZ 3.68Å; E54-K96 PolarHBondContact OE1-NZ 2.97Å; E54-K96 IonicContact OE2-NZ 2.57Å; E54-K96 PolarHBondContact OE2-NZ 3.49Å
55	A	91.6	Very high	91.3	Very high	75 Å²	75	43.5 Å²	43.5	62%	0.62	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.6	178	0	0	0	0	0	114.1	A51 T57	A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 2.97Å; A55-T57 PolarHBondContact O-N 3.12Å
56	E	91.1	Very high	91.6	Very high	19 Å²	19	41.2 Å²	41.2	9%	0.089	24%	0.242	C	C	.	.			trans	-70.9	124.4	-177.3	-174.1	59.7	-107.1	0	0	111.3	R39 Y41 K52 C53 E54 S58 F59 C61 T75	R39-E56 WeakPolarHBondContact CD-OE2 3.12Å; R39-E56 IonicContact CZ-OE1 3.14Å; R39-E56 IonicContact NE-OE1 3.91Å; R39-E56 IonicContact NH1-OE1 3.91Å; R39-E56 PolarHBondContact NH1-OE1 3.45Å; Y41-E56 PolarHBondContact OH-OE2 2.01Å; K52-E56 PolarHBondContact O-N 2.85Å; C53-E56 PolarHBondContact O-N 2.99Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E56-S58 WeakPolarHBondContact OE1-CB 3.42Å; E56-S58 PolarHBondContact OE1-N 2.96Å; E56-S58 VanDerWaalsContact OE1-N 3.07Å; E56-S58 PolarHBondContact OE1-OG 2.98Å; E56-F59 HydrophobicContact CG-CD1 4.39Å; E56-F59 HydrophobicContact CG-CD2 4.09Å; E56-F59 HydrophobicContact CG-CE1 4.17Å; E56-F59 HydrophobicContact CG-CE2 3.84Å; E56-F59 HydrophobicContact CG-CG 4.35Å; E56-F59 HydrophobicContact CG-CZ 3.89Å; E56-F59 WeakPolarHBondContact CG-O 3.3Å; E56-C61 HydrophobicContact CB-CB 3.97Å; E56-C61 HydrophobicContact CG-CB 4.34Å; E56-T75 PolarHBondContact OE2-OG1 3.08Å
57	T	86.1	Confident	91.6	Very high	133 Å²	133	40.6 Å²	40.6	82%	0.816	24%	0.238	S	C	*	.			trans	-115	-14.6	-179.9	60.6	0	0	0	0	113.5	A55 F59	A55-T57 PolarHBondContact O-N 3.12Å; T57-F59 VanDerWaalsContact C-N 3.31Å
58	S	85.1	Confident	91.2	Very high	60 Å²	60	40.4 Å²	40.4	42%	0.42	23%	0.231	S	C	.	.	S	Bend	trans	-75.5	-23.4	-178.5	64.6	0	0	0	0	113.3	R39 E56	R39-S58 PolarHBondContact NE-OG 2.52Å; E56-S58 WeakPolarHBondContact OE1-CB 3.42Å; E56-S58 PolarHBondContact OE1-N 2.96Å; E56-S58 VanDerWaalsContact OE1-N 3.07Å; E56-S58 PolarHBondContact OE1-OG 2.98Å
59	F	88.8	Confident	90.7	Very high	31 Å²	31	37 Å²	37	14%	0.136	22%	0.215	C	C	.	.	S	Bend	trans	-156.2	161.5	171.3	53.7	-96.2	0	0	0	109.3	N37 R39 E56 T57 C61 A76 A77	N37-F59 HydrophobicContact CB-CD1 4.37Å; R39-F59 HydrophobicContact CG-CE1 4.17Å; E56-F59 HydrophobicContact CG-CD1 4.39Å; E56-F59 HydrophobicContact CG-CD2 4.09Å; E56-F59 HydrophobicContact CG-CE1 4.17Å; E56-F59 HydrophobicContact CG-CE2 3.84Å; E56-F59 HydrophobicContact CG-CG 4.35Å; E56-F59 HydrophobicContact CG-CZ 3.89Å; E56-F59 WeakPolarHBondContact CG-O 3.3Å; T57-F59 VanDerWaalsContact C-N 3.31Å; F59-C61 HydrophobicContact CE2-CB 4.24Å; F59-C61 PolarHBondContact O-N 2.82Å; F59-A76 VanDerWaalsContact CE2-C 3.49Å; F59-A77 HydrophobicContact CB-CB 4.08Å; F59-A77 HydrophobicContact CD2-CB 3.54Å; F59-A77 HydrophobicContact CE2-CB 4.2Å; F59-A77 HydrophobicContact CG-CB 3.93Å
60	T	89.1	Confident	90.1	Very high	64 Å²	64	39 Å²	39	39%	0.393	23%	0.226	S	C	.	.			trans	-68.2	104.9	171.5	-56.1	0	0	0	0	109.8	K62 A77 Y99	T60-K62 PolarHBondContact O-N 3.49Å; T60-A77 WeakPolarHBondContact O-CA 3.2Å; T60-Y99 HydrophobicContact CG2-CE1 4.28Å; T60-Y99 HydrophobicContact CG2-CE2 4.5Å; T60-Y99 WeakPolarHBondContact CG2-OH 3.47Å
61	C	92.9	Very high	89.8	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.027	23%	0.227	C	C	.	.			trans	-69.5	112.7	176.6	-173.8	0	0	0	0	110.7	C53 E56 F59 A63 K96	C53-C61 WeakPolarHBondContact CA-SG 3.48Å; C53-C61 HydrophobicContact CB-CB 4.11Å; C53-C61 WeakPolarHBondContact CB-SG 3.48Å; C53-C61 WeakPolarHBondContact O-CB 3.37Å; C53-C61 WeakPolarHBondContact SG-CB 3.24Å; C53-C61 CovalentContact SG-SG 2.03Å; C53-C61 PolarHBondContact SG-SG 3.23Å; E56-C61 HydrophobicContact CB-CB 3.97Å; E56-C61 HydrophobicContact CG-CB 4.34Å; F59-C61 HydrophobicContact CE2-CB 4.24Å; F59-C61 PolarHBondContact O-N 2.82Å; C61-A63 PolarHBondContact SG-O 3.11Å; C61-K96 WeakPolarHBondContact O-CD 3.44Å; C61-K96 VanDerWaalsContact O-CE 3.27Å; C61-K96 WeakPolarHBondContact O-CE 3.13Å; C61-K96 PolarHBondContact O-NZ 3.45Å
62	K	93.6	Very high	89.6	Confident	12 Å²	12	38.9 Å²	38.9	5%	0.052	22%	0.215	C	C	.	.			trans	-98.8	-28.2	179.7	-60.6	-172.5	-166.3	165.9	0	112.4	T60 A76 A77 N79 K96 Y99 D148	T60-K62 PolarHBondContact O-N 3.49Å; K62-A76 PolarHBondContact N-O 2.85Å; K62-A77 WeakPolarHBondContact CD-O 2.98Å; K62-A77 WeakPolarHBondContact CE-O 3.38Å; K62-A77 WeakPolarHBondContact CG-O 2.96Å; K62-N79 HydrophobicContact CB-CB 4.32Å; K62-K96 WeakPolarHBondContact O-CB 3.29Å; K62-K96 PolarHBondContact O-N 3.1Å; K62-Y99 HydrophobicContact CB-CD2 4.28Å; K62-Y99 HydrophobicContact CB-CG 4.31Å; K62-Y99 HydrophobicContact CD-CD1 3.9Å; K62-Y99 HydrophobicContact CD-CE1 4.27Å; K62-Y99 HydrophobicContact CD-CG 4.23Å; K62-Y99 HydrophobicContact CG-CD1 3.99Å; K62-Y99 HydrophobicContact CG-CD2 4.17Å; K62-Y99 HydrophobicContact CG-CE1 4.12Å; K62-Y99 HydrophobicContact CG-CE2 4.27Å; K62-Y99 HydrophobicContact CG-CG 4.04Å; K62-D148 IonicContact NZ-OD2 3.53Å; K62-D148 PolarHBondContact NZ-OD2 3.17Å
63	A	95.2	Very high	89.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	160.6	177.9	0	0	0	0	0	110.7	V33 C61 A76 A78 N79 L93 Y94 E95	V33-A63 HydrophobicContact CG1-CB 4.46Å; C61-A63 PolarHBondContact SG-O 3.11Å; A63-A76 PolarHBondContact N-O 2.76Å; A63-A76 PolarHBondContact O-N 3.42Å; A63-A78 WeakPolarHBondContact CB-O 3.48Å; A63-N79 HydrophobicContact CB-CB 4.46Å; A63-L93 HydrophobicContact CB-CD1 4.08Å; A63-Y94 CarbonylContact C-O 3.51Å; A63-Y94 WeakPolarHBondContact CA-O 3.45Å; A63-Y94 WeakPolarHBondContact CB-O 3.43Å; A63-E95 HydrophobicContact CB-CB 4.46Å; A63-E95 HydrophobicContact CB-CG 4.03Å
64	F	95.1	Very high	89.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.7	165.8	69.7	-97.5	0	0	0	110.8	Y25 V46 C49 A50 C53 W74 T75 Y94	Y25-F64 HydrophobicContact CD1-CD1 4.06Å; Y25-F64 AromaticContact CD1-CE1 3.62Å; Y25-F64 HydrophobicContact CD1-CE1 3.62Å; Y25-F64 HydrophobicContact CD2-CE1 4.39Å; Y25-F64 AromaticContact CE1-CD1 3.49Å; Y25-F64 HydrophobicContact CE1-CD1 3.49Å; Y25-F64 VanDerWaalsContact CE1-CD1 3.49Å; Y25-F64 AromaticContact CE1-CE1 3.33Å; Y25-F64 HydrophobicContact CE1-CE1 3.33Å; Y25-F64 HydrophobicContact CE2-CE1 4.18Å; Y25-F64 HydrophobicContact CG-CE1 4.13Å; Y25-F64 AromaticContact CZ-CD1 3.98Å; Y25-F64 AromaticContact CZ-CE1 3.63Å; V46-F64 HydrophobicContact CG2-CE2 3.84Å; V46-F64 HydrophobicContact CG2-CZ 4.02Å; C49-F64 HydrophobicContact CB-CD2 4Å; C49-F64 HydrophobicContact CB-CE2 4.01Å; C49-F64 WeakPolarHBondContact SG-CD2 3.31Å; A50-F64 HydrophobicContact CB-CE1 3.7Å; A50-F64 HydrophobicContact CB-CZ 3.8Å; C53-F64 HydrophobicContact CB-CB 4.3Å; C53-F64 HydrophobicContact CB-CD1 3.92Å; C53-F64 HydrophobicContact CB-CG 4.47Å; F64-W74 CarbonylContact C-O 3.54Å; F64-W74 WeakPolarHBondContact CA-O 3.44Å; F64-W74 WeakPolarHBondContact CB-O 3.35Å; F64-T75 HydrophobicContact CB-CG2 4.42Å; F64-Y94 AromaticContact CD2-CD2 3.9Å; F64-Y94 HydrophobicContact CD2-CD2 3.9Å; F64-Y94 HydrophobicContact CD2-CG 4.16Å; F64-Y94 HydrophobicContact CE1-CG 4.13Å; F64-Y94 HydrophobicContact CE2-CD1 4.22Å; F64-Y94 AromaticContact CE2-CD2 3.29Å; F64-Y94 HydrophobicContact CE2-CD2 3.29Å; F64-Y94 HydrophobicContact CE2-CE2 4.01Å; F64-Y94 AromaticContact CE2-CG 3.42Å; F64-Y94 HydrophobicContact CE2-CG 3.42Å; F64-Y94 VanDerWaalsContact CE2-CG 3.42Å; F64-Y94 AromaticContact CZ-CD1 3.88Å; F64-Y94 HydrophobicContact CZ-CD1 3.88Å; F64-Y94 AromaticContact CZ-CD2 3.81Å; F64-Y94 HydrophobicContact CZ-CD2 3.81Å; F64-Y94 AromaticContact CZ-CG 3.4Å; F64-Y94 HydrophobicContact CZ-CG 3.4Å; F64-Y94 VanDerWaalsContact CZ-CG 3.4Å; F64-Y94 PolarHBondContact N-O 2.89Å; F64-Y94 PolarHBondContact O-N 3.45Å
65	V	92.8	Very high	89.5	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.5	177.1	174.3	0	0	0	0	107.9	W32 V67 C73 W74 C91 A92 L93	W32-V65 HydrophobicContact CB-CG1 4.25Å; W32-V65 HydrophobicContact CB-CG2 3.86Å; V65-V67 HydrophobicContact CG1-CG2 4.35Å; V65-C73 CarbonylContact O-C 3.59Å; V65-C73 WeakPolarHBondContact O-CA 3.49Å; V65-W74 HydrophobicContact CB-CB 4.35Å; V65-W74 PolarHBondContact N-O 2.83Å; V65-W74 PolarHBondContact O-N 3.45Å; V65-C91 WeakPolarHBondContact CG1-SG 3.08Å; V65-A92 WeakPolarHBondContact CA-O 3.25Å; V65-L93 HydrophobicContact CG2-CD1 3.64Å
66	Y	91.9	Very high	89.6	Confident	13 Å²	13	26.9 Å²	26.9	5%	0.051	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.2	174.6	-177.5	-115	0	0	0	110.5	V43 N44 N45 V46 C49 E68 E72 C73 A92	V43-Y66 HydrophobicContact CG2-CD2 3.93Å; V43-Y66 HydrophobicContact CG2-CE2 3.63Å; N44-Y66 VanDerWaalsContact C-OH 3.28Å; N44-Y66 PolarHBondContact O-OH 3Å; N44-Y66 VanDerWaalsContact O-OH 3.05Å; N45-Y66 WeakPolarHBondContact CA-OH 3.3Å; N45-Y66 PolarHBondContact N-OH 3.15Å; V46-Y66 HydrophobicContact CB-CD1 3.96Å; V46-Y66 HydrophobicContact CB-CE1 4.32Å; V46-Y66 HydrophobicContact CB-CG 4.46Å; V46-Y66 HydrophobicContact CG2-CD1 4.37Å; C49-Y66 HydrophobicContact CB-CD2 4.23Å; Y66-E68 HydrophobicContact CD1-CB 4.49Å; Y66-E68 HydrophobicContact CE1-CB 3.81Å; Y66-E68 HydrophobicContact CE1-CG 4.06Å; Y66-E72 WeakPolarHBondContact CA-O 3.08Å; Y66-E72 WeakPolarHBondContact CD2-O 3.41Å; Y66-C73 HydrophobicContact CD2-CB 4.32Å; Y66-A92 PolarHBondContact N-O 3.04Å; Y66-A92 PolarHBondContact O-N 3.09Å
67	V	88.3	Confident	89.6	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	100.2	179	-174.7	0	0	0	0	107.4	V65 K69 D70 Q71 E72 S90 C91	V65-V67 HydrophobicContact CG1-CG2 4.35Å; V67-K69 PolarHBondContact O-N 3.41Å; V67-D70 HydrophobicContact CB-CB 4.24Å; V67-D70 HydrophobicContact CG1-CB 3.72Å; V67-D70 WeakPolarHBondContact CG1-OD2 3.31Å; V67-D70 PolarHBondContact O-N 2.77Å; V67-Q71 WeakPolarHBondContact O-CA 3.44Å; V67-Q71 PolarHBondContact O-N 3.37Å; V67-E72 HydrophobicContact CB-CB 4.24Å; V67-E72 PolarHBondContact N-O 3.06Å; V67-E72 PolarHBondContact O-N 3.21Å; V67-S90 WeakPolarHBondContact CG1-O 3.34Å; V67-C91 HydrophobicContact CG2-CB 4.08Å
68	E	82.2	Confident	89.8	Confident	85 Å²	85	20.9 Å²	20.9	40%	0.397	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-42.5	-170.4	-169.1	176.3	-175.8	0	0	112.8	Y66 D70 Q71 F500	Y66-E68 HydrophobicContact CD1-CB 4.49Å; Y66-E68 HydrophobicContact CE1-CB 3.81Å; Y66-E68 HydrophobicContact CE1-CG 4.06Å; E68-D70 VanDerWaalsContact C-N 3.26Å; E68-D70 PolarHBondContact O-N 3.32Å; E68-Q71 PolarHBondContact O-N 3.2Å; E68-F500 HydrophobicContact CG-CE2 3.93Å; E68-F500 HydrophobicContact CG-CZ 3.89Å
69	K	80.9	Confident	90	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-33.5	178.6	-63.6	-174.4	-175.4	178.5	0	112.8	V67 S90 F500 D519 D521 W526 W536 Y538	V67-K69 PolarHBondContact O-N 3.41Å; K69-S90 PolarHBondContact NZ-OG 2.86Å; K69-F500 HydrophobicContact CG-CE2 4.42Å; K69-D519 WeakPolarHBondContact CE-OD2 3.44Å; K69-D519 IonicContact NZ-OD2 3.02Å; K69-D521 WeakPolarHBondContact CE-OD2 3.38Å; K69-D521 IonicContact NZ-OD2 2.54Å; K69-D521 PolarHBondContact NZ-OD2 2.59Å; K69-W526 HydrophobicContact CD-CD2 4.28Å; K69-W526 HydrophobicContact CD-CE3 4.48Å; K69-W526 HydrophobicContact CD-CH2 4.24Å; K69-W526 HydrophobicContact CD-CZ2 4Å; K69-W526 HydrophobicContact CD-CZ3 4.47Å; K69-W526 HydrophobicContact CG-CH2 4.08Å; K69-W526 HydrophobicContact CG-CZ2 3.96Å; K69-W536 HydrophobicContact CD-CD2 3.78Å; K69-W536 HydrophobicContact CD-CE3 3.97Å; K69-W536 HydrophobicContact CD-CG 4.43Å; K69-W536 HydrophobicContact CD-CH2 3.95Å; K69-W536 HydrophobicContact CD-CZ2 3.74Å; K69-W536 HydrophobicContact CD-CZ3 4.05Å; K69-Y538 PolarHBondContact NZ-OH 3.27Å
70	D	82.1	Confident	89.8	Confident	42 Å²	42	18.5 Å²	18.5	23%	0.225	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.3	-178.2	-63.9	-24.7	0	0	0	112.8	V67 E68 E72 K535 W536	V67-D70 HydrophobicContact CB-CB 4.24Å; V67-D70 HydrophobicContact CG1-CB 3.72Å; V67-D70 WeakPolarHBondContact CG1-OD2 3.31Å; V67-D70 PolarHBondContact O-N 2.77Å; E68-D70 VanDerWaalsContact C-N 3.26Å; E68-D70 PolarHBondContact O-N 3.32Å; D70-E72 HydrophobicContact CB-CB 4.01Å; D70-E72 PolarHBondContact O-N 2.83Å; D70-K535 PolarHBondContact O-NZ 3.25Å; D70-W536 PolarHBondContact OD1-NE1 3.41Å; D70-W536 VanDerWaalsContact OD1-NE1 3.07Å
71	Q	85.4	Confident	89.5	Confident	15 Å²	15	20.1 Å²	20.1	7%	0.07	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	32.2	-171.4	-56.8	-169.8	-79.9	0	0	112.6	M42 V43 N44 V67 E68	M42-Q71 WeakPolarHBondContact CA-O 3.36Å; V43-Q71 PolarHBondContact N-O 2.04Å; V43-Q71 WeakPolarHBondContact O-CB 3.03Å; N44-Q71 PolarHBondContact OD1-NE2 2.74Å; N44-Q71 VanDerWaalsContact OD1-NE2 3.17Å; V67-Q71 WeakPolarHBondContact O-CA 3.44Å; V67-Q71 PolarHBondContact O-N 3.37Å; E68-Q71 PolarHBondContact O-N 3.2Å
72	E	89.6	Confident	89.1	Confident	47 Å²	47	22.3 Å²	22.3	22%	0.22	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.7	-172.9	176.9	173.4	-133.5	0	0	109.9	Y66 V67 D70 W74 R88	Y66-E72 WeakPolarHBondContact CA-O 3.08Å; Y66-E72 WeakPolarHBondContact CD2-O 3.41Å; V67-E72 HydrophobicContact CB-CB 4.24Å; V67-E72 PolarHBondContact N-O 3.06Å; V67-E72 PolarHBondContact O-N 3.21Å; D70-E72 HydrophobicContact CB-CB 4.01Å; D70-E72 PolarHBondContact O-N 2.83Å; E72-W74 VanDerWaalsContact CD-CE2 3.44Å; E72-W74 HydrophobicContact CG-CZ2 4.5Å; E72-W74 WeakPolarHBondContact OE1-CZ2 3.45Å; E72-W74 PolarHBondContact OE1-NE1 3Å; E72-R88 IonicContact OE2-CZ 3.26Å; E72-R88 IonicContact OE2-NH1 3.91Å; E72-R88 IonicContact OE2-NH2 3.19Å; E72-R88 PolarHBondContact OE2-NH2 2.9Å
73	C	92.6	Very high	88.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.4	-179.1	164	0	0	0	0	111	Q40 Y41 V43 C49 V65 Y66	Q40-C73 CarbonylContact C-O 3.35Å; Q40-C73 WeakPolarHBondContact CA-O 3.42Å; Y41-C73 PolarHBondContact N-O 2.87Å; Y41-C73 PolarHBondContact O-N 3.2Å; V43-C73 HydrophobicContact CB-CB 4.37Å; V43-C73 HydrophobicContact CG1-CB 4.12Å; V43-C73 HydrophobicContact CG2-CB 3.36Å; C49-C73 WeakPolarHBondContact CA-SG 3.46Å; C49-C73 HydrophobicContact CB-CB 3.75Å; C49-C73 WeakPolarHBondContact CB-SG 3.32Å; C49-C73 WeakPolarHBondContact SG-CB 3.2Å; C49-C73 CovalentContact SG-SG 2.02Å; C49-C73 PolarHBondContact SG-SG 2.9Å; V65-C73 CarbonylContact O-C 3.59Å; V65-C73 WeakPolarHBondContact O-CA 3.49Å; Y66-C73 HydrophobicContact CD2-CB 4.32Å
74	W	91.6	Very high	88.1	Confident	27 Å²	27	29.5 Å²	29.5	10%	0.102	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.4	177.8	-58	-1.2	0	0	0	110.6	W32 K38 R39 Q40 F64 V65 E72 R88	W32-W74 HydrophobicContact CE3-CE3 4.21Å; W32-W74 AromaticContact CE3-CZ3 3.79Å; W32-W74 HydrophobicContact CE3-CZ3 3.79Å; W32-W74 HydrophobicContact CH2-CZ3 4.42Å; W32-W74 HydrophobicContact CZ3-CE3 4.27Å; W32-W74 AromaticContact CZ3-CZ3 3.57Å; W32-W74 HydrophobicContact CZ3-CZ3 3.57Å; K38-W74 HydrophobicContact CD-CE3 4.28Å; R39-W74 CarbonylContact O-C 3.59Å; R39-W74 VanDerWaalsContact O-CA 3.25Å; R39-W74 WeakPolarHBondContact O-CA 3.4Å; Q40-W74 VanDerWaalsContact CG-CD1 3.47Å; Q40-W74 HydrophobicContact CG-CD2 4.15Å; Q40-W74 HydrophobicContact CG-CG 3.88Å; Q40-W74 VanDerWaalsContact NE2-NE1 3.17Å; F64-W74 CarbonylContact C-O 3.54Å; F64-W74 WeakPolarHBondContact CA-O 3.44Å; F64-W74 WeakPolarHBondContact CB-O 3.35Å; V65-W74 HydrophobicContact CB-CB 4.35Å; V65-W74 PolarHBondContact N-O 2.83Å; V65-W74 PolarHBondContact O-N 3.45Å; E72-W74 VanDerWaalsContact CD-CE2 3.44Å; E72-W74 HydrophobicContact CG-CZ2 4.5Å; E72-W74 WeakPolarHBondContact OE1-CZ2 3.45Å; E72-W74 PolarHBondContact OE1-NE1 3Å; W74-R88 VanDerWaalsContact CH2-NH1 3.26Å
75	T	94.3	Very high	87.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142.3	169.5	60.4	0	0	0	0	109.6	K38 R39 Y41 K52 C53 E56 F64	K38-T75 CarbonylContact C-O 3.59Å; K38-T75 WeakPolarHBondContact CA-O 3.11Å; K38-T75 VanDerWaalsContact CB-O 3.26Å; K38-T75 WeakPolarHBondContact CB-O 3.28Å; R39-T75 PolarHBondContact N-O 2.91Å; R39-T75 PolarHBondContact O-N 3.24Å; Y41-T75 HydrophobicContact CD2-CG2 4.26Å; Y41-T75 HydrophobicContact CE2-CG2 3.79Å; K52-T75 HydrophobicContact CB-CG2 4.14Å; C53-T75 HydrophobicContact CB-CG2 3.94Å; E56-T75 PolarHBondContact OE2-OG1 3.08Å; F64-T75 HydrophobicContact CB-CG2 4.42Å
76	A	93.4	Very high	87.2	Confident	5 Å²	5	32.5 Å²	32.5	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142	-174.1	0	0	0	0	0	112.3	V33 F59 K62 A63 A78	V33-A76 HydrophobicContact CG1-CB 3.91Å; F59-A76 VanDerWaalsContact CE2-C 3.49Å; K62-A76 PolarHBondContact N-O 2.85Å; A63-A76 PolarHBondContact N-O 2.76Å; A63-A76 PolarHBondContact O-N 3.42Å; A76-A78 VanDerWaalsContact C-N 3.28Å
77	A	91.1	Very high	86.7	Confident	19 Å²	19	34.2 Å²	34.2	16%	0.157	17%	0.174	C	C	.	.	S	Bend	trans	-78.9	-12.6	173.2	0	0	0	0	0	113.3	N37 F59 T60 K62	N37-A77 HydrophobicContact CB-CB 3.8Å; N37-A77 PolarHBondContact O-N 3.4Å; F59-A77 HydrophobicContact CB-CB 4.08Å; F59-A77 HydrophobicContact CD2-CB 3.54Å; F59-A77 HydrophobicContact CE2-CB 4.2Å; F59-A77 HydrophobicContact CG-CB 3.93Å; T60-A77 WeakPolarHBondContact O-CA 3.2Å; K62-A77 WeakPolarHBondContact CD-O 2.98Å; K62-A77 WeakPolarHBondContact CE-O 3.38Å; K62-A77 WeakPolarHBondContact CG-O 2.96Å
78	A	90.4	Very high	86.4	Confident	7 Å²	7	37.2 Å²	37.2	6%	0.058	19%	0.185	C	C	.	.			trans	-105.3	159.6	-178.5	0	0	0	0	0	111.9	V33 S35 A63 A76 E83	V33-A78 HydrophobicContact CG2-CB 4.03Å; S35-A78 WeakPolarHBondContact OG-CB 2.95Å; S35-A78 PolarHBondContact OG-N 3.31Å; A63-A78 WeakPolarHBondContact CB-O 3.48Å; A76-A78 VanDerWaalsContact C-N 3.28Å; A78-E83 HydrophobicContact CB-CB 3.9Å; A78-E83 HydrophobicContact CB-CG 3.64Å
79	N	89	Confident	86	Confident	2 Å²	2	36 Å²	36	1%	0.011	18%	0.18	C	C	.	.			trans	-138.9	-175.9	171.9	70.8	5.2	0	0	0	110.2	K62 A63 K81 T82 E83 E95 Y99	K62-N79 HydrophobicContact CB-CB 4.32Å; A63-N79 HydrophobicContact CB-CB 4.46Å; N79-K81 PolarHBondContact O-N 3.08Å; N79-K81 WeakPolarHBondContact OD1-CB 3.42Å; N79-K81 PolarHBondContact OD1-N 3.35Å; N79-T82 PolarHBondContact N-OG1 2.86Å; N79-T82 VanDerWaalsContact N-OG1 3.1Å; N79-T82 PolarHBondContact O-N 2.92Å; N79-T82 PolarHBondContact O-OG1 3.32Å; N79-T82 PolarHBondContact OD1-N 3.21Å; N79-T82 VanDerWaalsContact OD1-N 3.15Å; N79-T82 PolarHBondContact OD1-OG1 2.64Å; N79-E83 PolarHBondContact O-N 2.92Å; N79-E95 WeakPolarHBondContact CB-OE1 3.47Å; N79-Y99 WeakPolarHBondContact ND2-CB 3.32Å; N79-Y99 PolarHBondContact ND2-O 2.99Å
80	S	84.8	Confident	85.6	Confident	39 Å²	39	37.3 Å²	37.3	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.3	-180	58.3	0	0	0	0	115.3	V85 E95	S80-V85 VanDerWaalsContact CB-CG2 3.47Å; S80-E95 WeakPolarHBondContact CB-OE1 3.37Å; S80-E95 PolarHBondContact N-OE1 3.46Å; S80-E95 PolarHBondContact OG-OE1 2.84Å; S80-E95 PolarHBondContact OG-OE2 3.25Å
81	K	82.9	Confident	85.7	Confident	98 Å²	98	35.3 Å²	35.3	43%	0.426	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-36.5	175.6	-61	-64.3	-173.4	175.9	0	111.9	N79 L100 T114	N79-K81 PolarHBondContact O-N 3.08Å; N79-K81 WeakPolarHBondContact OD1-CB 3.42Å; N79-K81 PolarHBondContact OD1-N 3.35Å; K81-L100 WeakPolarHBondContact CE-O 3.28Å; K81-L100 HydrophobicContact CG-CD2 4.21Å; K81-T114 HydrophobicContact CB-CG2 3.94Å
82	T	84	Confident	85.9	Confident	49 Å²	49	35 Å²	35	30%	0.301	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-29.2	-175.2	57.7	0	0	0	0	113.5	N79 T114	N79-T82 PolarHBondContact N-OG1 2.86Å; N79-T82 VanDerWaalsContact N-OG1 3.1Å; N79-T82 PolarHBondContact O-N 2.92Å; N79-T82 PolarHBondContact O-OG1 3.32Å; N79-T82 PolarHBondContact OD1-N 3.21Å; N79-T82 VanDerWaalsContact OD1-N 3.15Å; N79-T82 PolarHBondContact OD1-OG1 2.64Å; T82-T114 HydrophobicContact CG2-CG2 4.17Å
83	E	87.8	Confident	86	Confident	88 Å²	88	32.7 Å²	32.7	41%	0.411	17%	0.167	S	C	.	.	S	Bend	trans	-139.8	168.9	-171	-79	-66.7	177.2	0	0	113.3	V33 L34 A78 N79 V85	V33-E83 HydrophobicContact CG2-CB 3.98Å; L34-E83 VanDerWaalsContact O-CB 3.27Å; L34-E83 WeakPolarHBondContact O-CB 3.35Å; L34-E83 WeakPolarHBondContact O-CG 3.23Å; A78-E83 HydrophobicContact CB-CB 3.9Å; A78-E83 HydrophobicContact CB-CG 3.64Å; N79-E83 PolarHBondContact O-N 2.92Å; E83-V85 PolarHBondContact O-N 3.38Å
84	L	81.1	Confident	86	Confident	75 Å²	75	33.2 Å²	33.2	39%	0.393	17%	0.169	S	C	.	.			trans	-71.7	128.1	178.4	-143.3	93.9	0	0	0	111.3	L34 L86	L34-L84 PolarHBondContact N-O 2.62Å; L84-L86 HydrophobicContact CD2-CD2 3.73Å; L84-L86 HydrophobicContact CD2-CG 4.48Å
85	V	84.9	Confident	86.1	Confident	17 Å²	17	32.3 Å²	32.3	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.8	168	-174.5	0	0	0	0	109	A31 W32 S80 E83 L93 R439	A31-V85 HydrophobicContact CB-CG1 3.81Å; W32-V85 CarbonylContact O-C 3.44Å; W32-V85 WeakPolarHBondContact O-CA 3.29Å; W32-V85 WeakPolarHBondContact O-CG1 3.48Å; S80-V85 VanDerWaalsContact CB-CG2 3.47Å; E83-V85 PolarHBondContact O-N 3.38Å; V85-L93 HydrophobicContact CG1-CD2 4.08Å; V85-L93 HydrophobicContact CG2-CD2 4.36Å; V85-R439 PolarHBondContact O-NH2 3.33Å
86	L	83.4	Confident	85.9	Confident	51 Å²	51	33 Å²	33	27%	0.267	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	157.1	180	-67.6	174.2	0	0	0	110.2	W32 L34 L84	W32-L86 HydrophobicContact CZ2-CD1 3.87Å; W32-L86 PolarHBondContact N-O 2.75Å; W32-L86 VanDerWaalsContact NE1-CB 3.28Å; W32-L86 PolarHBondContact O-N 3.33Å; L34-L86 HydrophobicContact CB-CD1 4.43Å; L34-L86 HydrophobicContact CD1-CD1 4.44Å; L84-L86 HydrophobicContact CD2-CD2 3.73Å; L84-L86 HydrophobicContact CD2-CG 4.48Å
87	R	81.9	Confident	85.4	Confident	49 Å²	49	38.5 Å²	38.5	19%	0.185	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.9	175.6	76.9	-179.3	-170.3	83.7	9.2	110.1	G30 D424 D426 W430 W440	G30-R87 WeakPolarHBondContact O-CA 3.3Å; R87-D424 IonicContact CZ-OD1 3.55Å; R87-D424 IonicContact CZ-OD2 2.92Å; R87-D424 IonicContact NE-OD1 2.66Å; R87-D424 IonicContact NE-OD2 2.61Å; R87-D424 PolarHBondContact NE-OD2 3.37Å; R87-D424 IonicContact NH2-OD1 3.99Å; R87-D424 PolarHBondContact NH2-OD1 3.5Å; R87-D424 IonicContact NH2-OD2 3.82Å; R87-D424 PolarHBondContact NH2-OD2 3.47Å; R87-D426 IonicContact CZ-OD2 3.25Å; R87-D426 IonicContact NH1-OD2 2.7Å; R87-D426 PolarHBondContact NH1-OD2 3.25Å; R87-D426 IonicContact NH2-OD2 2.7Å; R87-D426 PolarHBondContact NH2-OD2 3.3Å; R87-W430 VanDerWaalsContact NE-CZ2 3.3Å; R87-W440 HydrophobicContact CB-CD2 4.31Å; R87-W440 HydrophobicContact CB-CG 4Å; R87-W440 VanDerWaalsContact NH1-CH2 3.26Å
88	R	80.8	Confident	85	Confident	65 Å²	65	42.4 Å²	42.4	25%	0.245	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	140	171.9	-174.5	173.1	178.2	-166.9	-6	109.4	G30 W32 E72 W74 C91	G30-R88 CarbonylContact C-O 3.54Å; G30-R88 VanDerWaalsContact C-O 3.24Å; G30-R88 VanDerWaalsContact CA-O 3.23Å; G30-R88 WeakPolarHBondContact CA-O 3.37Å; G30-R88 PolarHBondContact O-N 3.25Å; G30-R88 VanDerWaalsContact O-O 3.09Å; W32-R88 HydrophobicContact CG-CB 4.25Å; E72-R88 IonicContact OE2-CZ 3.26Å; E72-R88 IonicContact OE2-NH1 3.91Å; E72-R88 IonicContact OE2-NH2 3.19Å; E72-R88 PolarHBondContact OE2-NH2 2.9Å; W74-R88 VanDerWaalsContact CH2-NH1 3.26Å; R88-C91 HydrophobicContact CB-CB 3.98Å; R88-C91 HydrophobicContact CG-CB 3.94Å
89	Q	73.3	Confident	84.8	Confident	59 Å²	59	42.6 Å²	42.6	28%	0.276	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	149	179.6	-66.4	172.5	18.2	0	0	111.7	C91 W440 Y442	Q89-C91 WeakPolarHBondContact O-CB 3.43Å; Q89-C91 PolarHBondContact O-N 3.06Å; Q89-W440 HydrophobicContact CG-CH2 3.79Å; Q89-W440 HydrophobicContact CG-CZ2 3.66Å; Q89-Y442 PolarHBondContact NE2-OH 3.18Å
90	S	73.4	Confident	84.4	Confident	29 Å²	29	44.3 Å²	44.3	20%	0.203	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.4	35	173.5	-54.9	0	0	0	0	114	V67 K69 W536 Y538	V67-S90 WeakPolarHBondContact CG1-O 3.34Å; K69-S90 PolarHBondContact NZ-OG 2.86Å; S90-W536 WeakPolarHBondContact OG-CH2 3.12Å; S90-Y538 PolarHBondContact OG-OH 3.19Å
91	C	84.6	Confident	84.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.5	-170.3	173.6	0	0	0	0	108.8	G30 A31 V65 V67 R88 Q89	G30-C91 VanDerWaalsContact CA-O 3.23Å; G30-C91 WeakPolarHBondContact CA-O 3.46Å; G30-C91 PolarHBondContact N-O 3.23Å; A31-C91 PolarHBondContact N-O 3.3Å; A31-C91 PolarHBondContact O-SG 2.91Å; V65-C91 WeakPolarHBondContact CG1-SG 3.08Å; V67-C91 HydrophobicContact CG2-CB 4.08Å; R88-C91 HydrophobicContact CB-CB 3.98Å; R88-C91 HydrophobicContact CG-CB 3.94Å; Q89-C91 WeakPolarHBondContact O-CB 3.43Å; Q89-C91 PolarHBondContact O-N 3.06Å
92	A	88.3	Confident	84.1	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.9	176.9	0	0	0	0	0	110.5	V65 Y66 Y94	V65-A92 WeakPolarHBondContact CA-O 3.25Å; Y66-A92 PolarHBondContact N-O 3.04Å; Y66-A92 PolarHBondContact O-N 3.09Å; A92-Y94 HydrophobicContact CB-CD2 4.26Å; A92-Y94 HydrophobicContact CB-CE2 3.5Å
93	L	92.1	Very high	83.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.6	172.3	178.4	65.8	0	0	0	109.1	K27 T28 A31 V33 A63 V65 V85 E95	K27-L93 CarbonylContact C-O 3.56Å; K27-L93 WeakPolarHBondContact CA-O 3.42Å; T28-L93 PolarHBondContact N-O 3.42Å; T28-L93 PolarHBondContact O-N 3.41Å; A31-L93 HydrophobicContact CB-CB 3.84Å; A31-L93 HydrophobicContact CB-CD2 4.27Å; A31-L93 WeakPolarHBondContact O-CB 2.98Å; A31-L93 PolarHBondContact O-N 3.33Å; V33-L93 HydrophobicContact CB-CD1 4.16Å; V33-L93 HydrophobicContact CB-CD2 4.41Å; V33-L93 HydrophobicContact CG1-CD1 3.9Å; A63-L93 HydrophobicContact CB-CD1 4.08Å; V65-L93 HydrophobicContact CG2-CD1 3.64Å; V85-L93 HydrophobicContact CG1-CD2 4.08Å; V85-L93 HydrophobicContact CG2-CD2 4.36Å; L93-E95 HydrophobicContact CD1-CG 4.28Å; L93-E95 HydrophobicContact CD2-CG 3.9Å; L93-E95 HydrophobicContact CG-CG 3.76Å
94	Y	93.5	Very high	83.4	Confident	10 Å²	10	40.4 Å²	40.4	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.3	176.5	-67	-98.4	0	0	0	109	S26 K27 V46 A63 F64 A92	S26-Y94 CarbonylContact O-C 3.54Å; S26-Y94 WeakPolarHBondContact O-CA 3.36Å; K27-Y94 HydrophobicContact CB-CD1 4.09Å; K27-Y94 HydrophobicContact CB-CE1 3.93Å; K27-Y94 HydrophobicContact CD-CE1 3.71Å; K27-Y94 WeakPolarHBondContact CE-OH 3.42Å; K27-Y94 HydrophobicContact CG-CD1 4.14Å; K27-Y94 HydrophobicContact CG-CE1 3.65Å; K27-Y94 HydrophobicContact CG-CE2 4.44Å; V46-Y94 HydrophobicContact CG2-CD1 4.36Å; V46-Y94 HydrophobicContact CG2-CD2 4.29Å; V46-Y94 HydrophobicContact CG2-CE1 3.75Å; V46-Y94 HydrophobicContact CG2-CE2 3.68Å; V46-Y94 WeakPolarHBondContact CG2-OH 3.17Å; A63-Y94 CarbonylContact C-O 3.51Å; A63-Y94 WeakPolarHBondContact CA-O 3.45Å; A63-Y94 WeakPolarHBondContact CB-O 3.43Å; F64-Y94 AromaticContact CD2-CD2 3.9Å; F64-Y94 HydrophobicContact CD2-CD2 3.9Å; F64-Y94 HydrophobicContact CD2-CG 4.16Å; F64-Y94 HydrophobicContact CE1-CG 4.13Å; F64-Y94 HydrophobicContact CE2-CD1 4.22Å; F64-Y94 AromaticContact CE2-CD2 3.29Å; F64-Y94 HydrophobicContact CE2-CD2 3.29Å; F64-Y94 HydrophobicContact CE2-CE2 4.01Å; F64-Y94 AromaticContact CE2-CG 3.42Å; F64-Y94 HydrophobicContact CE2-CG 3.42Å; F64-Y94 VanDerWaalsContact CE2-CG 3.42Å; F64-Y94 AromaticContact CZ-CD1 3.88Å; F64-Y94 HydrophobicContact CZ-CD1 3.88Å; F64-Y94 AromaticContact CZ-CD2 3.81Å; F64-Y94 HydrophobicContact CZ-CD2 3.81Å; F64-Y94 AromaticContact CZ-CG 3.4Å; F64-Y94 HydrophobicContact CZ-CG 3.4Å; F64-Y94 VanDerWaalsContact CZ-CG 3.4Å; F64-Y94 PolarHBondContact N-O 2.89Å; F64-Y94 PolarHBondContact O-N 3.45Å; A92-Y94 HydrophobicContact CB-CD2 4.26Å; A92-Y94 HydrophobicContact CB-CE2 3.5Å
95	E	92.7	Very high	83.1	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.5	-176.1	-59	-177.4	83.2	0	0	110	Y25 S26 A63 N79 S80 L93 K97 L100	Y25-E95 CarbonylContact C-O 3.58Å; Y25-E95 WeakPolarHBondContact CA-O 3.33Å; S26-E95 PolarHBondContact N-O 2.67Å; S26-E95 PolarHBondContact O-N 2.9Å; A63-E95 HydrophobicContact CB-CB 4.46Å; A63-E95 HydrophobicContact CB-CG 4.03Å; N79-E95 WeakPolarHBondContact CB-OE1 3.47Å; S80-E95 WeakPolarHBondContact CB-OE1 3.37Å; S80-E95 PolarHBondContact N-OE1 3.46Å; S80-E95 PolarHBondContact OG-OE1 2.84Å; S80-E95 PolarHBondContact OG-OE2 3.25Å; L93-E95 HydrophobicContact CD1-CG 4.28Å; L93-E95 HydrophobicContact CD2-CG 3.9Å; L93-E95 HydrophobicContact CG-CG 3.76Å; E95-K97 PolarHBondContact O-N 3.38Å; E95-K97 VanDerWaalsContact O-N 3.16Å; E95-L100 HydrophobicContact CB-CD1 3.85Å; E95-L100 HydrophobicContact CB-CD2 4.14Å; E95-L100 HydrophobicContact CB-CG 4.21Å
96	K	90.1	Very high	82.7	Confident	16 Å²	16	41.6 Å²	41.6	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	120.4	178.1	-76.1	-173.6	-175.2	-172	0	109.8	Y25 E54 C61 K62 K98 Y99	Y25-K96 HydrophobicContact CD1-CG 3.92Å; Y25-K96 HydrophobicContact CE1-CB 4.35Å; Y25-K96 HydrophobicContact CE1-CD 4.36Å; Y25-K96 HydrophobicContact CE1-CG 3.31Å; Y25-K96 HydrophobicContact CE2-CG 4.36Å; Y25-K96 WeakPolarHBondContact OH-CE 3.39Å; E54-K96 WeakPolarHBondContact OE1-CE 3.39Å; E54-K96 IonicContact OE1-NZ 3.68Å; E54-K96 PolarHBondContact OE1-NZ 2.97Å; E54-K96 IonicContact OE2-NZ 2.57Å; E54-K96 PolarHBondContact OE2-NZ 3.49Å; C61-K96 WeakPolarHBondContact O-CD 3.44Å; C61-K96 VanDerWaalsContact O-CE 3.27Å; C61-K96 WeakPolarHBondContact O-CE 3.13Å; C61-K96 PolarHBondContact O-NZ 3.45Å; K62-K96 WeakPolarHBondContact O-CB 3.29Å; K62-K96 PolarHBondContact O-N 3.1Å; K96-K98 HydrophobicContact CB-CG 4.42Å; K96-K98 PolarHBondContact O-N 2.85Å; K96-K98 VanDerWaalsContact O-N 3.09Å; K96-Y99 HydrophobicContact CB-CD2 3.73Å; K96-Y99 HydrophobicContact CB-CE2 4.36Å; K96-Y99 HydrophobicContact CD-CD2 4.19Å; K96-Y99 HydrophobicContact CD-CE2 3.96Å; K96-Y99 PolarHBondContact O-N 2.84Å
97	K	83.8	Confident	82.6	Confident	119 Å²	119	41.4 Å²	41.4	52%	0.517	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-52.5	-38.3	-176.4	-71	-179.9	177.5	178.3	0	112.4	G24 Y25 E95 Y99 L100 L101	G24-K97 PolarHBondContact O-N 2.9Å; Y25-K97 WeakPolarHBondContact O-CE 3.3Å; E95-K97 PolarHBondContact O-N 3.38Å; E95-K97 VanDerWaalsContact O-N 3.16Å; K97-Y99 VanDerWaalsContact C-N 3.26Å; K97-Y99 PolarHBondContact O-N 3.34Å; K97-L100 PolarHBondContact O-N 3.28Å; K97-L101 PolarHBondContact O-N 3.25Å
98	K	82.8	Confident	82.7	Confident	102 Å²	102	39 Å²	39	44%	0.443	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-59.9	-28.2	179.5	73.2	-176.5	-174.9	-177.3	0	114.8	K96	K96-K98 HydrophobicContact CB-CG 4.42Å; K96-K98 PolarHBondContact O-N 2.85Å; K96-K98 VanDerWaalsContact O-N 3.09Å
99	Y	86.1	Confident	83	Confident	11 Å²	11	37.7 Å²	37.7	4%	0.043	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-92.9	-2.7	177.6	-66.7	-82.4	0	0	0	113.3	T60 K62 N79 K96 K97 R112	T60-Y99 HydrophobicContact CG2-CE1 4.28Å; T60-Y99 HydrophobicContact CG2-CE2 4.5Å; T60-Y99 WeakPolarHBondContact CG2-OH 3.47Å; K62-Y99 HydrophobicContact CB-CD2 4.28Å; K62-Y99 HydrophobicContact CB-CG 4.31Å; K62-Y99 HydrophobicContact CD-CD1 3.9Å; K62-Y99 HydrophobicContact CD-CE1 4.27Å; K62-Y99 HydrophobicContact CD-CG 4.23Å; K62-Y99 HydrophobicContact CG-CD1 3.99Å; K62-Y99 HydrophobicContact CG-CD2 4.17Å; K62-Y99 HydrophobicContact CG-CE1 4.12Å; K62-Y99 HydrophobicContact CG-CE2 4.27Å; K62-Y99 HydrophobicContact CG-CG 4.04Å; N79-Y99 WeakPolarHBondContact ND2-CB 3.32Å; N79-Y99 PolarHBondContact ND2-O 2.99Å; K96-Y99 HydrophobicContact CB-CD2 3.73Å; K96-Y99 HydrophobicContact CB-CE2 4.36Å; K96-Y99 HydrophobicContact CD-CD2 4.19Å; K96-Y99 HydrophobicContact CD-CE2 3.96Å; K96-Y99 PolarHBondContact O-N 2.84Å; K97-Y99 VanDerWaalsContact C-N 3.26Å; K97-Y99 PolarHBondContact O-N 3.34Å; Y99-R112 HydrophobicContact CD1-CB 3.66Å; Y99-R112 HydrophobicContact CD1-CG 4.34Å; Y99-R112 HydrophobicContact CE1-CB 3.85Å; Y99-R112 HydrophobicContact CE1-CG 4.06Å; Y99-R112 HydrophobicContact CG-CB 4.34Å
100	L	81.2	Confident	83.5	Confident	38 Å²	38	39.5 Å²	39.5	20%	0.199	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-17.6	173.5	-60.6	-178.4	0	0	0	112.3	K81 E95 K97	K81-L100 WeakPolarHBondContact CE-O 3.28Å; K81-L100 HydrophobicContact CG-CD2 4.21Å; E95-L100 HydrophobicContact CB-CD1 3.85Å; E95-L100 HydrophobicContact CB-CD2 4.14Å; E95-L100 HydrophobicContact CB-CG 4.21Å; K97-L100 PolarHBondContact O-N 3.28Å
101	L	80.5	Confident	84.2	Confident	89 Å²	89	38.4 Å²	38.4	47%	0.466	22%	0.217	S	C	.	.			trans	-74.1	120.8	178.5	-71.8	168.9	0	0	0	110.9	K97 G113	K97-L101 PolarHBondContact O-N 3.25Å; L101-G113 WeakPolarHBondContact O-CA 3.34Å
102	E	80.3	Confident	84.4	Confident	54 Å²	54	40.4 Å²	40.4	25%	0.252	23%	0.225	S	C	.	.			trans	-101.6	24.1	177.2	-69.6	-58.6	152.5	0	0	112.9	Y111 T114 P179	E102-Y111 PolarHBondContact OE2-OH 2.82Å; E102-T114 PolarHBondContact OE1-N 3.14Å; E102-T114 VanDerWaalsContact OE1-N 3.09Å; E102-T114 PolarHBondContact OE1-OG1 2.89Å; E102-T114 PolarHBondContact OE2-N 2.87Å; E102-P179 WeakPolarHBondContact O-CG 3.29Å
103	C	78.2	Confident	84.3	Confident	27 Å²	27	40 Å²	40	18%	0.182	22%	0.222	C	C	.	.	S	Bend	trans	-134.1	167.7	-177.7	59.1	0	0	0	0	111.2	Y111 P179 C181	C103-Y111 WeakPolarHBondContact O-CD2 3.16Å; C103-P179 CarbonylContact C-O 3.14Å; C103-P179 WeakPolarHBondContact CA-O 3.1Å; C103-P179 HydrophobicContact CB-CG 4.26Å; C103-P179 WeakPolarHBondContact CB-O 3.47Å; C103-C181 VanDerWaalsContact CA-SG 3.52Å; C103-C181 HydrophobicContact CB-CB 3.92Å; C103-C181 WeakPolarHBondContact CB-SG 3.43Å; C103-C181 PolarHBondContact O-SG 3.02Å; C103-C181 WeakPolarHBondContact SG-CA 3.34Å; C103-C181 WeakPolarHBondContact SG-CB 3.36Å; C103-C181 CovalentContact SG-SG 2.04Å; C103-C181 PolarHBondContact SG-SG 3.21Å
104	I	79.2	Confident	84.1	Confident	21 Å²	21	42 Å²	42	11%	0.108	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-113.3	138.9	179.6	59.5	172	0	0	0	113.5	Y111 P162 V178 P179 S180 C181	I104-Y111 HydrophobicContact CG2-CD1 4.28Å; I104-Y111 HydrophobicContact CG2-CD2 3.7Å; I104-Y111 HydrophobicContact CG2-CE2 4.44Å; I104-Y111 HydrophobicContact CG2-CG 3.59Å; I104-P162 HydrophobicContact CD1-CG 4.5Å; I104-P162 HydrophobicContact CG2-CG 3.56Å; I104-V178 HydrophobicContact CB-CG1 4.44Å; I104-V178 HydrophobicContact CG2-CB 3.93Å; I104-V178 HydrophobicContact CG2-CG1 3.49Å; I104-V178 VanDerWaalsContact CG2-CG1 3.49Å; I104-P179 PolarHBondContact N-O 3.11Å; I104-S180 CarbonylContact O-C 3.48Å; I104-S180 WeakPolarHBondContact O-CA 3.41Å; I104-S180 PolarHBondContact O-OG 2.72Å; I104-C181 PolarHBondContact N-SG 2.64Å; I104-C181 PolarHBondContact O-N 2.9Å
105	S	73.5	Confident	83.8	Confident	50 Å²	50	45.1 Å²	45.1	35%	0.35	25%	0.247	S	C	.	.	S	Bend	trans	-99.2	136	165.8	-63.1	0	0	0	0	110	N107 G108 C181	S105-N107 PolarHBondContact O-N 2.94Å; S105-G108 PolarHBondContact O-N 3.47Å; S105-C181 WeakPolarHBondContact OG-CB 3.24Å
106	G	77.4	Confident	83.8	Confident	68 Å²	68	47.4 Å²	47.4	70%	0.701	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-124.7	-177.6	0	0	0	0	0	112.1	G108	G106-G108 VanDerWaalsContact C-N 3.32Å
107	N	81.6	Confident	83.7	Confident	46 Å²	46	52.3 Å²	52.3	25%	0.246	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.8	176.5	71.7	-7.1	0	0	0	113.6	S105 A109 N154 S157 G161	S105-N107 PolarHBondContact O-N 2.94Å; N107-A109 PolarHBondContact O-N 2.9Å; N107-A109 WeakPolarHBondContact OD1-CB 3.34Å; N107-A109 PolarHBondContact OD1-N 2.88Å; N107-A109 VanDerWaalsContact OD1-N 3.17Å; N107-N154 PolarHBondContact O-ND2 2.99Å; N107-S157 PolarHBondContact ND2-O 2.69Å; N107-S157 VanDerWaalsContact ND2-O 3.11Å; N107-G161 WeakPolarHBondContact O-CA 3.37Å
108	G	83.5	Confident	84.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.			trans	72.1	23.6	178.5	0	0	0	0	0	115.6	S105 G106 D110 Y111	S105-G108 PolarHBondContact O-N 3.47Å; G106-G108 VanDerWaalsContact C-N 3.32Å; G108-D110 PolarHBondContact O-N 2.75Å; G108-Y111 WeakPolarHBondContact O-CB 3.25Å; G108-Y111 PolarHBondContact O-N 3.5Å; G108-Y111 VanDerWaalsContact O-N 3.09Å
109	A	86.5	Confident	84.4	Confident	37 Å²	37	48.2 Å²	48.2	31%	0.306	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.9	172.2	0	0	0	0	0	112.9	N107 R112	N107-A109 PolarHBondContact O-N 2.9Å; N107-A109 WeakPolarHBondContact OD1-CB 3.34Å; N107-A109 PolarHBondContact OD1-N 2.88Å; N107-A109 VanDerWaalsContact OD1-N 3.17Å; A109-R112 PolarHBondContact O-NH1 2.87Å
110	D	84.3	Confident	84.4	Confident	97 Å²	97	51.8 Å²	51.8	52%	0.519	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.2	177	69.2	-26.3	0	0	0	113.6	G108 R112	G108-D110 PolarHBondContact O-N 2.75Å; D110-R112 WeakPolarHBondContact O-CG 3.45Å; D110-R112 PolarHBondContact O-N 2.87Å; D110-R112 PolarHBondContact O-NH1 2.91Å
111	Y	87.9	Confident	84.7	Confident	5 Å²	5	51.7 Å²	51.7	2%	0.02	29%	0.292	C	S	.	.			trans	-63.4	130	179.5	177.7	-118.6	0	0	0	111.6	E102 C103 I104 G108 G113 T114 K115 C152 R153 P162 V178	E102-Y111 PolarHBondContact OE2-OH 2.82Å; C103-Y111 WeakPolarHBondContact O-CD2 3.16Å; I104-Y111 HydrophobicContact CG2-CD1 4.28Å; I104-Y111 HydrophobicContact CG2-CD2 3.7Å; I104-Y111 HydrophobicContact CG2-CE2 4.44Å; I104-Y111 HydrophobicContact CG2-CG 3.59Å; G108-Y111 WeakPolarHBondContact O-CB 3.25Å; G108-Y111 PolarHBondContact O-N 3.5Å; G108-Y111 VanDerWaalsContact O-N 3.09Å; Y111-G113 VanDerWaalsContact CE2-CA 3.5Å; Y111-G113 VanDerWaalsContact CE2-N 3.32Å; Y111-G113 VanDerWaalsContact CZ-CA 3.43Å; Y111-G113 WeakPolarHBondContact OH-CA 3.47Å; Y111-T114 PolarHBondContact OH-N 2.9Å; Y111-K115 HydrophobicContact CE1-CB 4.45Å; Y111-K115 VanDerWaalsContact OH-CB 3.31Å; Y111-K115 WeakPolarHBondContact OH-CB 3.42Å; Y111-K115 PolarHBondContact OH-N 2.85Å; Y111-C152 VanDerWaalsContact CD1-O 3.3Å; Y111-C152 WeakPolarHBondContact CD1-O 3.24Å; Y111-C152 HydrophobicContact CE1-CB 4.44Å; Y111-C152 WeakPolarHBondContact CE1-O 3.08Å; Y111-R153 WeakPolarHBondContact O-CD 3.28Å; Y111-P162 HydrophobicContact CD1-CB 4.21Å; Y111-P162 HydrophobicContact CD1-CG 3.97Å; Y111-P162 HydrophobicContact CG-CG 4.31Å; Y111-V178 HydrophobicContact CD2-CG1 4.14Å; Y111-V178 HydrophobicContact CE1-CG1 4.21Å; Y111-V178 HydrophobicContact CE1-CG2 4.01Å; Y111-V178 HydrophobicContact CE2-CG1 3.65Å
112	R	89.1	Confident	85.1	Confident	43 Å²	43	50.1 Å²	50.1	16%	0.162	28%	0.282	C	S	.	.			trans	-132.1	14.7	-179.4	-58.9	-66.2	178.6	-86.4	5.8	113.7	Y99 A109 D110 D146 R153	Y99-R112 HydrophobicContact CD1-CB 3.66Å; Y99-R112 HydrophobicContact CD1-CG 4.34Å; Y99-R112 HydrophobicContact CE1-CB 3.85Å; Y99-R112 HydrophobicContact CE1-CG 4.06Å; Y99-R112 HydrophobicContact CG-CB 4.34Å; A109-R112 PolarHBondContact O-NH1 2.87Å; D110-R112 WeakPolarHBondContact O-CG 3.45Å; D110-R112 PolarHBondContact O-N 2.87Å; D110-R112 PolarHBondContact O-NH1 2.91Å; R112-D146 WeakPolarHBondContact CD-OD2 3.44Å; R112-D146 VanDerWaalsContact NE-CB 3.29Å; R112-D146 IonicContact NE-OD2 3.62Å; R112-R153 PolarHBondContact O-NH2 3.19Å
113	G	86.4	Confident	85.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.285	C	S	.	.			trans	-72.6	-176	178.1	0	0	0	0	0	113.7	L101 Y111 R153	L101-G113 WeakPolarHBondContact O-CA 3.34Å; Y111-G113 VanDerWaalsContact CE2-CA 3.5Å; Y111-G113 VanDerWaalsContact CE2-N 3.32Å; Y111-G113 VanDerWaalsContact CZ-CA 3.43Å; Y111-G113 WeakPolarHBondContact OH-CA 3.47Å; G113-R153 PolarHBondContact O-NH1 2.77Å
114	T	88.3	Confident	86.4	Confident	40 Å²	40	49.4 Å²	49.4	25%	0.245	28%	0.277	C	S	.	.			trans	-106.5	14.9	-168.7	67.5	0	0	0	0	114.5	K81 T82 E102 Y111 D116 F151	K81-T114 HydrophobicContact CB-CG2 3.94Å; T82-T114 HydrophobicContact CG2-CG2 4.17Å; E102-T114 PolarHBondContact OE1-N 3.14Å; E102-T114 VanDerWaalsContact OE1-N 3.09Å; E102-T114 PolarHBondContact OE1-OG1 2.89Å; E102-T114 PolarHBondContact OE2-N 2.87Å; Y111-T114 PolarHBondContact OH-N 2.9Å; T114-D116 PolarHBondContact O-N 3.18Å; T114-F151 HydrophobicContact CG2-CE1 4.38Å; T114-F151 HydrophobicContact CG2-CZ 4.21Å; T114-F151 WeakPolarHBondContact O-CD1 3.5Å
115	K	86.9	Confident	87.1	Confident	76 Å²	76	48.7 Å²	48.7	33%	0.33	27%	0.273	S	S	.	.			trans	-58	126.6	176.5	-168.5	77.4	173.6	-165.5	0	110	Y111 F151 C152 C176 N177 V178	Y111-K115 HydrophobicContact CE1-CB 4.45Å; Y111-K115 VanDerWaalsContact OH-CB 3.31Å; Y111-K115 WeakPolarHBondContact OH-CB 3.42Å; Y111-K115 PolarHBondContact OH-N 2.85Å; K115-F151 CarbonylContact O-C 3.59Å; K115-F151 VanDerWaalsContact O-CA 3.31Å; K115-F151 WeakPolarHBondContact O-CA 3.33Å; K115-C152 HydrophobicContact CB-CB 4.45Å; K115-C152 PolarHBondContact O-N 3.13Å; K115-C152 PolarHBondContact O-SG 2.96Å; K115-C176 HydrophobicContact CG-CB 4.37Å; K115-N177 WeakPolarHBondContact CE-O 3.44Å; K115-N177 PolarHBondContact NZ-O 3.3Å; K115-V178 HydrophobicContact CB-CG2 4.11Å; K115-V178 HydrophobicContact CG-CG2 4.1Å
116	D	91.4	Very high	88	Confident	56 Å²	56	52.3 Å²	52.3	30%	0.299	28%	0.28	S	S	.	.			trans	-126.7	13.1	-173.2	70.3	-21.9	0	0	0	113.2	T114 C124 F151	T114-D116 PolarHBondContact O-N 3.18Å; D116-C124 VanDerWaalsContact O-CB 3.31Å; D116-C124 WeakPolarHBondContact O-CB 3.11Å; D116-C124 PolarHBondContact O-N 2.54Å; D116-C124 PolarHBondContact O-SG 2.73Å; D116-F151 HydrophobicContact CB-CD1 4.35Å
117	R	90.1	Very high	88.8	Confident	119 Å²	119	49.1 Å²	49.1	45%	0.449	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-133.3	141.3	-179.7	-70.5	179.1	-179.8	-85.9	-2	112.2	G121 K122	R117-G121 PolarHBondContact NH1-O 2.89Å; R117-K122 CarbonylContact C-O 3.56Å; R117-K122 VanDerWaalsContact CA-O 3.22Å; R117-K122 WeakPolarHBondContact CA-O 3.41Å
118	T	92	Very high	89.2	Confident	6 Å²	6	50.1 Å²	50.1	4%	0.037	25%	0.252	C	S	.	.			trans	-70.8	170.3	177.9	75.5	0	0	0	0	111.4	T120 G121 K122 T166 E174	T118-T120 PolarHBondContact O-N 3.34Å; T118-T120 PolarHBondContact OG1-N 2.97Å; T118-T120 PolarHBondContact OG1-OG1 3.15Å; T118-G121 WeakPolarHBondContact O-CA 3.37Å; T118-G121 PolarHBondContact O-N 3.07Å; T118-K122 HydrophobicContact CG2-CB 4.1Å; T118-K122 PolarHBondContact N-O 3.45Å; T118-K122 WeakPolarHBondContact OG1-CB 3.48Å; T118-K122 PolarHBondContact OG1-N 2.94Å; T118-T166 HydrophobicContact CG2-CG2 3.83Å; T118-E174 VanDerWaalsContact CB-OE2 3.25Å; T118-E174 WeakPolarHBondContact CB-OE2 3.29Å; T118-E174 HydrophobicContact CG2-CB 3.75Å; T118-E174 HydrophobicContact CG2-CG 4.34Å; T118-E174 PolarHBondContact OG1-OE2 3.05Å
119	K	88.1	Confident	89.6	Confident	130 Å²	130	51.5 Å²	51.5	57%	0.565	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.3	176.4	67.2	-177.4	179.6	179.7	0	113.9	E174 H175 N177	K119-E174 HydrophobicContact CG-CG 4.21Å; K119-E174 VanDerWaalsContact CG-OE1 3.23Å; K119-E174 WeakPolarHBondContact CG-OE1 3.42Å; K119-H175 WeakPolarHBondContact CG-O 3.26Å; K119-H175 PolarHBondContact N-O 3.41Å; K119-N177 HydrophobicContact CB-CB 4.21Å
120	T	87	Confident	89.8	Confident	86 Å²	86	57.5 Å²	57.5	53%	0.528	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	11.1	173.2	58.5	0	0	0	0	113.4	T118 K122 E174	T118-T120 PolarHBondContact O-N 3.34Å; T118-T120 PolarHBondContact OG1-N 2.97Å; T118-T120 PolarHBondContact OG1-OG1 3.15Å; T120-K122 PolarHBondContact OG1-NZ 3.34Å; T120-E174 WeakPolarHBondContact CB-OE1 3.49Å; T120-E174 WeakPolarHBondContact CG2-OE1 3.2Å; T120-E174 PolarHBondContact N-OE1 3.17Å; T120-E174 PolarHBondContact OG1-OE1 2.87Å; T120-E174 PolarHBondContact OG1-OE2 2.9Å
121	G	86.8	Confident	90.1	Very high	36 Å²	36	60.9 Å²	60.9	37%	0.371	29%	0.293	S	S	.	.			trans	83.2	4.3	174.3	0	0	0	0	0	115.6	R117 T118	R117-G121 PolarHBondContact NH1-O 2.89Å; T118-G121 WeakPolarHBondContact O-CA 3.37Å; T118-G121 PolarHBondContact O-N 3.07Å
122	K	89.6	Confident	90.2	Very high	56 Å²	56	62.2 Å²	62.2	24%	0.243	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.2	140.2	177.6	-59	-171.2	-178.2	74	0	110.3	R117 T118 T120 D168 V171 E174	R117-K122 CarbonylContact C-O 3.56Å; R117-K122 VanDerWaalsContact CA-O 3.22Å; R117-K122 WeakPolarHBondContact CA-O 3.41Å; T118-K122 HydrophobicContact CG2-CB 4.1Å; T118-K122 PolarHBondContact N-O 3.45Å; T118-K122 WeakPolarHBondContact OG1-CB 3.48Å; T118-K122 PolarHBondContact OG1-N 2.94Å; T120-K122 PolarHBondContact OG1-NZ 3.34Å; K122-D168 HydrophobicContact CD-CB 3.91Å; K122-D168 WeakPolarHBondContact CE-OD2 3.29Å; K122-V171 HydrophobicContact CD-CB 4.21Å; K122-V171 HydrophobicContact CD-CG1 4.43Å; K122-V171 HydrophobicContact CD-CG2 4.33Å; K122-E174 IonicContact NZ-OE2 3.48Å; K122-E174 PolarHBondContact NZ-OE2 2.9Å
123	L	91.3	Very high	90.5	Very high	63 Å²	63	61 Å²	61	33%	0.33	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-71.2	137	177.2	-176.8	65.8	0	0	0	109.7	T166 T167	L123-T166 CarbonylContact O-C 3.54Å; L123-T166 WeakPolarHBondContact O-CA 3.39Å; L123-T167 HydrophobicContact CB-CG2 4.24Å; L123-T167 HydrophobicContact CD2-CG2 4.19Å; L123-T167 HydrophobicContact CG-CG2 4.15Å; L123-T167 PolarHBondContact O-N 3.43Å; L123-T167 PolarHBondContact O-OG1 2.02Å
124	C	93.8	Very high	90.7	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.014	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-74	139.7	175.5	-64.8	0	0	0	0	111.1	D116 N150 C164 Y165	D116-C124 VanDerWaalsContact O-CB 3.31Å; D116-C124 WeakPolarHBondContact O-CB 3.11Å; D116-C124 PolarHBondContact O-N 2.54Å; D116-C124 PolarHBondContact O-SG 2.73Å; C124-N150 HydrophobicContact CB-CB 3.88Å; C124-N150 WeakPolarHBondContact CB-O 3.44Å; C124-N150 VanDerWaalsContact O-CB 3.28Å; C124-N150 WeakPolarHBondContact O-CB 3.45Å; C124-N150 PolarHBondContact O-ND2 2.83Å; C124-C164 VanDerWaalsContact CA-SG 3.57Å; C124-C164 HydrophobicContact CB-CB 3.56Å; C124-C164 WeakPolarHBondContact CB-SG 3.2Å; C124-C164 WeakPolarHBondContact SG-CB 3.49Å; C124-C164 CovalentContact SG-SG 2.02Å; C124-C164 PolarHBondContact SG-SG 3.47Å; C124-Y165 CarbonylContact C-O 3.5Å; C124-Y165 VanDerWaalsContact CA-O 3.29Å; C124-Y165 WeakPolarHBondContact CA-O 3.36Å
125	Q	93	Very high	90.9	Very high	6 Å²	6	69.6 Å²	69.6	3%	0.028	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-75.3	143.7	165.7	-177.8	-169.8	-52.8	0	0	109.3	A129 F131 H133 N150 Y165 T167	Q125-A129 HydrophobicContact CG-CB 4.06Å; Q125-A129 PolarHBondContact NE2-O 2.93Å; Q125-F131 VanDerWaalsContact CD-O 3.28Å; Q125-F131 PolarHBondContact OE1-O 3.31Å; Q125-H133 PolarHBondContact NE2-O 3.37Å; Q125-H133 PolarHBondContact OE1-O 3.01Å; Q125-N150 WeakPolarHBondContact O-CB 3.43Å; Q125-Y165 PolarHBondContact N-O 3.11Å; Q125-T167 HydrophobicContact CB-CG2 4.46Å
126	R	93.8	Very high	91.2	Very high	127 Å²	127	71.3 Å²	71.3	48%	0.479	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62	141.8	172.8	-64.7	170.9	54	133	-1.4	111.5	D128 A129 S149 N150	R126-D128 WeakPolarHBondContact CB-OD1 3.2Å; R126-D128 IonicContact CZ-OD1 2.66Å; R126-D128 IonicContact CZ-OD2 3.18Å; R126-D128 IonicContact NE-OD1 3.59Å; R126-D128 PolarHBondContact NE-OD1 2.93Å; R126-D128 IonicContact NE-OD2 2.64Å; R126-D128 IonicContact NH2-OD1 3.47Å; R126-D128 PolarHBondContact NH2-OD1 3.23Å; R126-D128 IonicContact NH2-OD2 3.05Å; R126-D128 PolarHBondContact NH2-OD2 3.17Å; R126-D128 PolarHBondContact O-N 3.49Å; R126-A129 HydrophobicContact CB-CB 3.99Å; R126-A129 WeakPolarHBondContact O-CB 3.26Å; R126-A129 PolarHBondContact O-N 2.82Å; R126-A129 VanDerWaalsContact O-N 3.09Å; R126-S149 CarbonylContact C-O 3.48Å; R126-S149 VanDerWaalsContact CA-O 3.23Å; R126-S149 WeakPolarHBondContact CA-O 3.49Å; R126-N150 HydrophobicContact CB-CB 4.46Å; R126-N150 HydrophobicContact CG-CB 4.04Å
127	W	93.1	Very high	91.2	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.5	-178.8	-64.1	100	0	0	0	113.9	S138 P139 L147 S149 F151 R153 P155 W163 C164 Y165	W127-S138 WeakPolarHBondContact O-CB 3.15Å; W127-P139 HydrophobicContact CB-CG 4.26Å; W127-L147 HydrophobicContact CB-CB 3.83Å; W127-L147 HydrophobicContact CD2-CB 4.11Å; W127-L147 HydrophobicContact CD2-CD1 4.41Å; W127-L147 HydrophobicContact CD2-CD2 3.88Å; W127-L147 HydrophobicContact CD2-CG 4.35Å; W127-L147 HydrophobicContact CE3-CD1 4.13Å; W127-L147 HydrophobicContact CE3-CD2 4.06Å; W127-L147 HydrophobicContact CE3-CG 4.5Å; W127-L147 HydrophobicContact CG-CB 3.72Å; W127-L147 HydrophobicContact CG-CD2 4.38Å; W127-L147 HydrophobicContact CG-CG 4.46Å; W127-L147 HydrophobicContact CH2-CD2 4.32Å; W127-L147 HydrophobicContact CZ2-CD2 4.17Å; W127-L147 HydrophobicContact CZ3-CD2 4.26Å; W127-S149 VanDerWaalsContact CD1-O 3.31Å; W127-S149 PolarHBondContact N-O 2.76Å; W127-F151 PolarHBondContact NE1-O 2.87Å; W127-R153 HydrophobicContact CH2-CB 4.47Å; W127-R153 HydrophobicContact CZ2-CB 3.82Å; W127-R153 HydrophobicContact CZ2-CG 4.34Å; W127-P155 HydrophobicContact CH2-CG 4.36Å; W127-P155 HydrophobicContact CZ3-CG 4.39Å; W127-W163 HydrophobicContact CH2-CD2 4.33Å; W127-W163 AromaticContact CH2-CE3 3.91Å; W127-W163 HydrophobicContact CH2-CE3 3.91Å; W127-W163 AromaticContact CH2-CH2 3.84Å; W127-W163 HydrophobicContact CH2-CH2 3.84Å; W127-W163 HydrophobicContact CH2-CZ2 4.3Å; W127-W163 AromaticContact CH2-CZ3 3.64Å; W127-W163 HydrophobicContact CH2-CZ3 3.64Å; W127-W163 WeakPolarHBondContact CZ2-O 3.29Å; W127-W163 HydrophobicContact CZ3-CE3 4.43Å; W127-W163 AromaticContact CZ3-CH2 3.67Å; W127-W163 HydrophobicContact CZ3-CH2 3.67Å; W127-W163 HydrophobicContact CZ3-CZ2 4.39Å; W127-W163 AromaticContact CZ3-CZ3 3.7Å; W127-W163 HydrophobicContact CZ3-CZ3 3.7Å; W127-C164 HydrophobicContact CZ2-CB 4.37Å; W127-Y165 AromaticContact CE3-CD2 3.81Å; W127-Y165 HydrophobicContact CE3-CD2 3.81Å; W127-Y165 AromaticContact CE3-CE2 3.79Å; W127-Y165 HydrophobicContact CE3-CE2 3.79Å; W127-Y165 AromaticContact CZ3-CD2 3.74Å; W127-Y165 HydrophobicContact CZ3-CD2 3.74Å; W127-Y165 AromaticContact CZ3-CE2 3.55Å; W127-Y165 HydrophobicContact CZ3-CE2 3.55Å
128	D	90.6	Very high	91.2	Very high	67 Å²	67	66.6 Å²	66.6	36%	0.358	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.6	174.9	65.4	-11.9	0	0	0	113.5	R126 P139	R126-D128 WeakPolarHBondContact CB-OD1 3.2Å; R126-D128 IonicContact CZ-OD1 2.66Å; R126-D128 IonicContact CZ-OD2 3.18Å; R126-D128 IonicContact NE-OD1 3.59Å; R126-D128 PolarHBondContact NE-OD1 2.93Å; R126-D128 IonicContact NE-OD2 2.64Å; R126-D128 IonicContact NH2-OD1 3.47Å; R126-D128 PolarHBondContact NH2-OD1 3.23Å; R126-D128 IonicContact NH2-OD2 3.05Å; R126-D128 PolarHBondContact NH2-OD2 3.17Å; R126-D128 PolarHBondContact O-N 3.49Å; D128-P139 HydrophobicContact CB-CG 4.39Å
129	A	91.7	Very high	91	Very high	29 Å²	29	68.4 Å²	68.4	24%	0.24	34%	0.335	C	S	.	.			trans	-75.4	142.6	178.1	0	0	0	0	0	110.7	Q125 R126 P135	Q125-A129 HydrophobicContact CG-CB 4.06Å; Q125-A129 PolarHBondContact NE2-O 2.93Å; R126-A129 HydrophobicContact CB-CB 3.99Å; R126-A129 WeakPolarHBondContact O-CB 3.26Å; R126-A129 PolarHBondContact O-N 2.82Å; R126-A129 VanDerWaalsContact O-N 3.09Å; A129-P135 WeakPolarHBondContact O-CD 3.17Å; A129-P135 WeakPolarHBondContact O-CG 3.15Å
130	K	91.1	Very high	90.8	Very high	163 Å²	163	68.9 Å²	68.9	71%	0.709	34%	0.339	S	S	*	.			trans	-103.5	9.6	179.7	-62.6	-178	-179.3	177.4	0	113.4	H133	K130-H133 CarbonylContact C-O 3.5Å
131	F	89.8	Confident	90.9	Very high	168 Å²	168	68.6 Å²	68.6	74%	0.737	34%	0.337	S	S	*	.	S	Bend	trans	-145.5	140.8	-175.7	-174.7	-90.6	0	0	0	110.4	Q125 H133	Q125-F131 VanDerWaalsContact CD-O 3.28Å; Q125-F131 PolarHBondContact OE1-O 3.31Å; F131-H133 VanDerWaalsContact C-N 3.33Å; F131-H133 PolarHBondContact N-O 3.49Å
132	P	90.6	Very high	91	Very high	33 Å²	33	69.9 Å²	69.9	21%	0.214	33%	0.334	C	S	.	.	S	Bend	cis	-67.6	-25.3	-2.5	27.3	-35.9	0	0	0	114.1	P169	P132-P169 HydrophobicContact CB-CB 4.49Å; P132-P169 HydrophobicContact CB-CG 4.35Å
133	H	94.4	Very high	90.7	Very high	17 Å²	17	72 Å²	72	8%	0.079	35%	0.353	C	S	.	.	S	Bend	trans	-103.8	144.5	-178.1	-57.2	-60.4	0	0	0	111.6	Q125 K130 F131 P135 Y165 T166 D168 P169 V171 R172	Q125-H133 PolarHBondContact NE2-O 3.37Å; Q125-H133 PolarHBondContact OE1-O 3.01Å; K130-H133 CarbonylContact C-O 3.5Å; F131-H133 VanDerWaalsContact C-N 3.33Å; F131-H133 PolarHBondContact N-O 3.49Å; H133-P135 VanDerWaalsContact O-CD 3.3Å; H133-P135 WeakPolarHBondContact O-CD 3.41Å; H133-Y165 HydrophobicContact CB-CD1 4.31Å; H133-T166 PolarHBondContact CD2-O 3Å; H133-D168 PolarHBondContact NE2-O 2.81Å; H133-P169 PolarHBondContact CE1-O 2.82Å; H133-V171 PolarHBondContact NE2-O 2.7Å; H133-R172 HydrophobicContact CB-CG 4.3Å; H133-R172 PolarHBondContact CD2-O 3.39Å; H133-R172 VanDerWaalsContact CE1-CA 3.49Å; H133-R172 WeakPolarHBondContact CE1-CA 3.25Å; H133-R172 WeakPolarHBondContact NE2-CA 3.18Å
134	R	92.3	Very high	90.3	Very high	193 Å²	193	76.6 Å²	76.6	73%	0.728	38%	0.377	S	S	*	.			trans	-85.2	112.7	166.6	-68.9	-175.7	-178.8	-175	1.7	109.9	R172	R134-R172 PolarHBondContact O-NH1 2.91Å; R134-R172 PolarHBondContact O-NH2 2.91Å
135	P	91.8	Very high	89.8	Confident	28 Å²	28	77.9 Å²	77.9	18%	0.182	39%	0.386	C	S	.	.			trans	-68.5	140.2	-176.8	-22.2	36.1	0	0	0	112.5	A129 H133 Y137 Y165	A129-P135 WeakPolarHBondContact O-CD 3.17Å; A129-P135 WeakPolarHBondContact O-CG 3.15Å; H133-P135 VanDerWaalsContact O-CD 3.3Å; H133-P135 WeakPolarHBondContact O-CD 3.41Å; P135-Y137 WeakPolarHBondContact CB-O 3.38Å; P135-Y165 HydrophobicContact CB-CD2 3.91Å; P135-Y165 HydrophobicContact CB-CE2 3.48Å; P135-Y165 VanDerWaalsContact CB-CE2 3.48Å; P135-Y165 HydrophobicContact CG-CD2 4.22Å; P135-Y165 HydrophobicContact CG-CE2 4.27Å
136	N	91.9	Very high	89.4	Confident	113 Å²	113	78.3 Å²	78.3	60%	0.604	39%	0.389	S	S	*	.	S	Bend	trans	-82.9	-32.8	166.6	-66.2	-4.2	0	0	0	110.4	T141 Y165 R172	N136-T141 PolarHBondContact O-OG1 3.05Å; N136-Y165 PolarHBondContact N-OH 2.88Å; N136-R172 PolarHBondContact OD1-NH2 3.28Å
137	Y	91.6	Very high	89.2	Confident	61 Å²	61	72.6 Å²	72.6	24%	0.239	37%	0.368	C	S	.	.	S	Bend	trans	-102.8	121.4	173.1	-59.4	-86.1	0	0	0	108.6	P135 H142 P155 D156 W163 Y165	P135-Y137 WeakPolarHBondContact CB-O 3.38Å; Y137-H142 AromaticContact CD1-CD2 3.86Å; Y137-H142 AromaticContact CD1-CE1 3.39Å; Y137-H142 WeakPolarHBondContact CD1-CE1 3.46Å; Y137-H142 AromaticContact CD1-CG 3.93Å; Y137-H142 AromaticContact CD1-ND1 3.63Å; Y137-H142 AromaticContact CD1-NE2 3.53Å; Y137-H142 AromaticContact CE1-CE1 3.77Å; Y137-H142 AromaticContact CE1-NE2 3.58Å; Y137-P155 HydrophobicContact CD1-CB 3.76Å; Y137-P155 HydrophobicContact CD1-CG 3.86Å; Y137-P155 HydrophobicContact CD2-CG 4.28Å; Y137-P155 HydrophobicContact CE1-CB 4.34Å; Y137-P155 HydrophobicContact CE1-CG 4.45Å; Y137-P155 HydrophobicContact CG-CB 4.15Å; Y137-P155 HydrophobicContact CG-CG 3.77Å; Y137-D156 HydrophobicContact CE1-CB 4.3Å; Y137-D156 HydrophobicContact CE2-CB 4.47Å; Y137-D156 WeakPolarHBondContact OH-CB 3.31Å; Y137-W163 AromaticContact CD2-CH2 3.63Å; Y137-W163 HydrophobicContact CD2-CH2 3.63Å; Y137-W163 AromaticContact CD2-CZ2 3.73Å; Y137-W163 HydrophobicContact CD2-CZ2 3.73Å; Y137-W163 HydrophobicContact CE2-CH2 4.2Å; Y137-W163 AromaticContact CE2-CZ2 3.96Å; Y137-W163 HydrophobicContact CE2-CZ2 3.96Å; Y137-W163 HydrophobicContact CG-CH2 4.42Å; Y137-W163 HydrophobicContact CG-CZ2 4.47Å; Y137-Y165 PolarHBondContact N-OH 3.38Å
138	S	90.3	Very high	88.9	Confident	14 Å²	14	75.6 Å²	75.6	10%	0.098	38%	0.383	C	S	.	.			trans	-140.3	163.6	176.7	83.9	0	0	0	0	110.1	W127 Q140 T141 H142	W127-S138 WeakPolarHBondContact O-CB 3.15Å; S138-Q140 PolarHBondContact O-N 3.43Å; S138-Q140 VanDerWaalsContact O-N 3.08Å; S138-Q140 PolarHBondContact OG-N 3.47Å; S138-Q140 PolarHBondContact OG-OE1 3.33Å; S138-T141 PolarHBondContact N-OG1 2.75Å; S138-T141 PolarHBondContact O-N 3.25Å; S138-T141 PolarHBondContact O-OG1 3.3Å; S138-T141 PolarHBondContact OG-N 3.28Å; S138-H142 PolarHBondContact O-N 2.76Å
139	P	87.9	Confident	88.8	Confident	45 Å²	45	74.2 Å²	74.2	29%	0.292	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.5	177.4	-25.6	35.4	0	0	0	113.3	W127 D128 P143 L147	W127-P139 HydrophobicContact CB-CG 4.26Å; D128-P139 HydrophobicContact CB-CG 4.39Å; P139-P143 WeakPolarHBondContact O-CA 3.2Å; P139-L147 HydrophobicContact CG-CB 4.08Å; P139-L147 WeakPolarHBondContact CG-O 3.25Å
140	Q	85.4	Confident	88.8	Confident	139 Å²	139	73.8 Å²	73.8	65%	0.65	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-36.4	178.3	-57.5	80.2	14.9	0	0	112.5	S138	S138-Q140 PolarHBondContact O-N 3.43Å; S138-Q140 VanDerWaalsContact O-N 3.08Å; S138-Q140 PolarHBondContact OG-N 3.47Å; S138-Q140 PolarHBondContact OG-OE1 3.33Å
141	T	89	Confident	88.9	Confident	80 Å²	80	67.3 Å²	67.3	49%	0.491	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-31.5	-179.2	58.7	0	0	0	0	112.5	N136 S138	N136-T141 PolarHBondContact O-OG1 3.05Å; S138-T141 PolarHBondContact N-OG1 2.75Å; S138-T141 PolarHBondContact O-N 3.25Å; S138-T141 PolarHBondContact O-OG1 3.3Å; S138-T141 PolarHBondContact OG-N 3.28Å
142	H	88.6	Confident	89.1	Confident	64 Å²	64	59.3 Å²	59.3	30%	0.296	31%	0.31	S	S	.	.			trans	-131.3	68.4	-176.6	-62.7	76.1	0	0	0	111.2	Y137 S138 L144 S145 L147	Y137-H142 AromaticContact CD1-CD2 3.86Å; Y137-H142 AromaticContact CD1-CE1 3.39Å; Y137-H142 WeakPolarHBondContact CD1-CE1 3.46Å; Y137-H142 AromaticContact CD1-CG 3.93Å; Y137-H142 AromaticContact CD1-ND1 3.63Å; Y137-H142 AromaticContact CD1-NE2 3.53Å; Y137-H142 AromaticContact CE1-CE1 3.77Å; Y137-H142 AromaticContact CE1-NE2 3.58Å; S138-H142 PolarHBondContact O-N 2.76Å; H142-L144 PolarHBondContact O-N 3.18Å; H142-S145 PolarHBondContact O-N 2.82Å; H142-S145 VanDerWaalsContact O-N 3.16Å; H142-L147 HydrophobicContact CB-CD1 4.2Å
143	P	83.2	Confident	89.4	Confident	100 Å²	100	57.9 Å²	57.9	65%	0.649	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-64.9	-23.4	-172.9	25.4	-35.1	0	0	0	114.2	P139	P139-P143 WeakPolarHBondContact O-CA 3.2Å
144	L	81.6	Confident	89.3	Confident	160 Å²	160	57.4 Å²	57.4	84%	0.838	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-82.6	-12.4	179.4	-61.6	178.1	0	0	0	113.7	H142 D146	H142-L144 PolarHBondContact O-N 3.18Å; L144-D146 VanDerWaalsContact C-N 3.29Å; L144-D146 PolarHBondContact O-N 3.07Å
145	S	83.6	Confident	89.4	Confident	28 Å²	28	49.1 Å²	49.1	20%	0.196	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-85.2	2.5	-175.2	-58.2	0	0	0	0	113.8	H142 L147	H142-S145 PolarHBondContact O-N 2.82Å; H142-S145 VanDerWaalsContact O-N 3.16Å; S145-L147 VanDerWaalsContact C-N 3.31Å; S145-L147 PolarHBondContact O-N 3.36Å
146	D	85.7	Confident	89.4	Confident	15 Å²	15	50.9 Å²	50.9	8%	0.08	28%	0.277	C	S	.	.			trans	48.2	50.3	179.3	-167.7	68.6	0	0	0	112.7	R112 L144 D148 R153	R112-D146 WeakPolarHBondContact CD-OD2 3.44Å; R112-D146 VanDerWaalsContact NE-CB 3.29Å; R112-D146 IonicContact NE-OD2 3.62Å; L144-D146 VanDerWaalsContact C-N 3.29Å; L144-D146 PolarHBondContact O-N 3.07Å; D146-D148 PolarHBondContact O-N 3.35Å; D146-R153 PolarHBondContact O-NE 3.37Å; D146-R153 IonicContact OD2-CZ 3.49Å; D146-R153 IonicContact OD2-NE 3.61Å; D146-R153 IonicContact OD2-NH2 3.43Å; D146-R153 PolarHBondContact OD2-NH2 3.22Å
147	L	89.5	Confident	89.2	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.042	27%	0.27	C	S	.	.			trans	-74.7	56.4	-179.1	-61.5	-177.8	0	0	0	111.6	W127 P139 H142 S145 R153 P155	W127-L147 HydrophobicContact CB-CB 3.83Å; W127-L147 HydrophobicContact CD2-CB 4.11Å; W127-L147 HydrophobicContact CD2-CD1 4.41Å; W127-L147 HydrophobicContact CD2-CD2 3.88Å; W127-L147 HydrophobicContact CD2-CG 4.35Å; W127-L147 HydrophobicContact CE3-CD1 4.13Å; W127-L147 HydrophobicContact CE3-CD2 4.06Å; W127-L147 HydrophobicContact CE3-CG 4.5Å; W127-L147 HydrophobicContact CG-CB 3.72Å; W127-L147 HydrophobicContact CG-CD2 4.38Å; W127-L147 HydrophobicContact CG-CG 4.46Å; W127-L147 HydrophobicContact CH2-CD2 4.32Å; W127-L147 HydrophobicContact CZ2-CD2 4.17Å; W127-L147 HydrophobicContact CZ3-CD2 4.26Å; P139-L147 HydrophobicContact CG-CB 4.08Å; P139-L147 WeakPolarHBondContact CG-O 3.25Å; H142-L147 HydrophobicContact CB-CD1 4.2Å; S145-L147 VanDerWaalsContact C-N 3.31Å; S145-L147 PolarHBondContact O-N 3.36Å; L147-R153 HydrophobicContact CD2-CB 3.66Å; L147-R153 HydrophobicContact CD2-CG 3.87Å; L147-P155 HydrophobicContact CD2-CB 4.2Å; L147-P155 HydrophobicContact CD2-CG 4.3Å
148	D	85.9	Confident	89.2	Confident	62 Å²	62	47.6 Å²	47.6	33%	0.332	27%	0.269	S	S	.	.			trans	-80.8	141.3	-175.1	-170.7	23.1	0	0	0	112.4	K62 D146 N150 F151	K62-D148 IonicContact NZ-OD2 3.53Å; K62-D148 PolarHBondContact NZ-OD2 3.17Å; D146-D148 PolarHBondContact O-N 3.35Å; D148-N150 PolarHBondContact O-N 2.7Å; D148-F151 HydrophobicContact CB-CD2 4.41Å; D148-F151 WeakPolarHBondContact O-CD2 2.86Å; D148-F151 PolarHBondContact O-N 2.9Å
149	S	89.2	Confident	89.1	Confident	38 Å²	38	53.9 Å²	53.9	27%	0.266	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	-128.9	-177	-165.2	0	0	0	0	112.5	R126 W127	R126-S149 CarbonylContact C-O 3.48Å; R126-S149 VanDerWaalsContact CA-O 3.23Å; R126-S149 WeakPolarHBondContact CA-O 3.49Å; W127-S149 VanDerWaalsContact CD1-O 3.31Å; W127-S149 PolarHBondContact N-O 2.76Å
150	N	91.1	Very high	88.9	Confident	21 Å²	21	58.5 Å²	58.5	11%	0.112	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	22.3	172.3	66.5	-29	0	0	0	112	C124 Q125 R126 D148	C124-N150 HydrophobicContact CB-CB 3.88Å; C124-N150 WeakPolarHBondContact CB-O 3.44Å; C124-N150 VanDerWaalsContact O-CB 3.28Å; C124-N150 WeakPolarHBondContact O-CB 3.45Å; C124-N150 PolarHBondContact O-ND2 2.83Å; Q125-N150 WeakPolarHBondContact O-CB 3.43Å; R126-N150 HydrophobicContact CB-CB 4.46Å; R126-N150 HydrophobicContact CG-CB 4.04Å; D148-N150 PolarHBondContact O-N 2.7Å
151	F	93.6	Very high	89.1	Confident	27 Å²	27	52 Å²	52	12%	0.118	29%	0.29	C	S	.	.			trans	-71.7	144.7	-175.7	-55.8	-45.3	0	0	0	111.5	T114 K115 D116 W127 D148 R153	T114-F151 HydrophobicContact CG2-CE1 4.38Å; T114-F151 HydrophobicContact CG2-CZ 4.21Å; T114-F151 WeakPolarHBondContact O-CD1 3.5Å; K115-F151 CarbonylContact O-C 3.59Å; K115-F151 VanDerWaalsContact O-CA 3.31Å; K115-F151 WeakPolarHBondContact O-CA 3.33Å; D116-F151 HydrophobicContact CB-CD1 4.35Å; W127-F151 PolarHBondContact NE1-O 2.87Å; D148-F151 HydrophobicContact CB-CD2 4.41Å; D148-F151 WeakPolarHBondContact O-CD2 2.86Å; D148-F151 PolarHBondContact O-N 2.9Å; F151-R153 VanDerWaalsContact CB-NH1 3.32Å; F151-R153 PolarHBondContact O-N 3.31Å
152	C	94.4	Very high	89.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.			trans	-60.8	133.9	176.4	-56.3	0	0	0	0	110.6	Y111 K115 P162 W163 C176	Y111-C152 VanDerWaalsContact CD1-O 3.3Å; Y111-C152 WeakPolarHBondContact CD1-O 3.24Å; Y111-C152 HydrophobicContact CE1-CB 4.44Å; Y111-C152 WeakPolarHBondContact CE1-O 3.08Å; K115-C152 HydrophobicContact CB-CB 4.45Å; K115-C152 PolarHBondContact O-N 3.13Å; K115-C152 PolarHBondContact O-SG 2.96Å; C152-P162 HydrophobicContact CB-CB 4.07Å; C152-W163 WeakPolarHBondContact CA-O 3.35Å; C152-C176 HydrophobicContact CB-CB 3.56Å; C152-C176 WeakPolarHBondContact CB-SG 3.15Å; C152-C176 WeakPolarHBondContact SG-CB 3.11Å; C152-C176 CovalentContact SG-SG 2.02Å; C152-C176 PolarHBondContact SG-SG 3.45Å
153	R	95.6	Very high	89.7	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.008	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-143.2	164.9	-178.9	-66.7	-66.3	-177.3	-96.8	7.4	109.8	Y111 R112 G113 W127 D146 L147 F151 P155 P162 W163	Y111-R153 WeakPolarHBondContact O-CD 3.28Å; R112-R153 PolarHBondContact O-NH2 3.19Å; G113-R153 PolarHBondContact O-NH1 2.77Å; W127-R153 HydrophobicContact CH2-CB 4.47Å; W127-R153 HydrophobicContact CZ2-CB 3.82Å; W127-R153 HydrophobicContact CZ2-CG 4.34Å; D146-R153 PolarHBondContact O-NE 3.37Å; D146-R153 IonicContact OD2-CZ 3.49Å; D146-R153 IonicContact OD2-NE 3.61Å; D146-R153 IonicContact OD2-NH2 3.43Å; D146-R153 PolarHBondContact OD2-NH2 3.22Å; L147-R153 HydrophobicContact CD2-CB 3.66Å; L147-R153 HydrophobicContact CD2-CG 3.87Å; F151-R153 VanDerWaalsContact CB-NH1 3.32Å; F151-R153 PolarHBondContact O-N 3.31Å; R153-P155 VanDerWaalsContact C-CD 3.46Å; R153-P155 WeakPolarHBondContact O-CD 3.11Å; R153-P162 WeakPolarHBondContact O-CA 3.28Å; R153-W163 PolarHBondContact N-O 2.87Å; R153-W163 PolarHBondContact O-N 2.98Å
154	N	93.9	Very high	90.3	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.043	22%	0.223	C	C	.	.			trans	-124.2	69.6	176.3	-166.9	-0.9	0	0	0	110.7	N107 D156 S157 D158	N107-N154 PolarHBondContact O-ND2 2.99Å; N154-D156 PolarHBondContact O-N 3.06Å; N154-D156 PolarHBondContact OD1-OD1 3.03Å; N154-D156 VanDerWaalsContact OD1-OD1 3.05Å; N154-S157 PolarHBondContact O-N 2.05Å; N154-S157 WeakPolarHBondContact OD1-CA 3.38Å; N154-S157 PolarHBondContact OD1-N 3.38Å; N154-S157 VanDerWaalsContact OD1-N 3.13Å; N154-D158 PolarHBondContact ND2-N 3.41Å; N154-D158 PolarHBondContact ND2-O 3.32Å; N154-D158 PolarHBondContact OD1-N 2.98Å
155	P	93.3	Very high	91	Very high	19 Å²	19	33.3 Å²	33.3	12%	0.123	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.1	-174.1	27.7	-34.2	0	0	0	114.1	W127 Y137 L147 R153 W163	W127-P155 HydrophobicContact CH2-CG 4.36Å; W127-P155 HydrophobicContact CZ3-CG 4.39Å; Y137-P155 HydrophobicContact CD1-CB 3.76Å; Y137-P155 HydrophobicContact CD1-CG 3.86Å; Y137-P155 HydrophobicContact CD2-CG 4.28Å; Y137-P155 HydrophobicContact CE1-CB 4.34Å; Y137-P155 HydrophobicContact CE1-CG 4.45Å; Y137-P155 HydrophobicContact CG-CB 4.15Å; Y137-P155 HydrophobicContact CG-CG 3.77Å; L147-P155 HydrophobicContact CD2-CB 4.2Å; L147-P155 HydrophobicContact CD2-CG 4.3Å; R153-P155 VanDerWaalsContact C-CD 3.46Å; R153-P155 WeakPolarHBondContact O-CD 3.11Å; P155-W163 HydrophobicContact CG-CH2 4.41Å; P155-W163 HydrophobicContact CG-CZ2 3.72Å
156	D	91.3	Very high	91.6	Very high	64 Å²	64	32 Å²	32	34%	0.342	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	3.3	-178.2	54.8	-15	0	0	0	113.7	Y137 N154 D158 W163	Y137-D156 HydrophobicContact CE1-CB 4.3Å; Y137-D156 HydrophobicContact CE2-CB 4.47Å; Y137-D156 WeakPolarHBondContact OH-CB 3.31Å; N154-D156 PolarHBondContact O-N 3.06Å; N154-D156 PolarHBondContact OD1-OD1 3.03Å; N154-D156 VanDerWaalsContact OD1-OD1 3.05Å; D156-D158 VanDerWaalsContact C-N 3.26Å; D156-D158 PolarHBondContact O-N 3.42Å; D156-W163 PolarHBondContact OD1-NE1 2.93Å
157	S	89.5	Confident	92	Very high	66 Å²	66	34.4 Å²	34.4	46%	0.462	19%	0.19	S	C	.	.			trans	57.7	35	-179.6	-56.1	0	0	0	0	113.7	N107 N154 N159	N107-S157 PolarHBondContact ND2-O 2.69Å; N107-S157 VanDerWaalsContact ND2-O 3.11Å; N154-S157 PolarHBondContact O-N 2.05Å; N154-S157 WeakPolarHBondContact OD1-CA 3.38Å; N154-S157 PolarHBondContact OD1-N 3.38Å; N154-S157 VanDerWaalsContact OD1-N 3.13Å; S157-N159 PolarHBondContact O-N 3.44Å
158	D	90.8	Very high	92.1	Very high	39 Å²	39	36.4 Å²	36.4	21%	0.209	20%	0.201	C	C	.	.			trans	-58	133.2	175.9	-168.5	-36.4	0	0	0	110.8	N154 D156 Q160 G161 H175	N154-D158 PolarHBondContact ND2-N 3.41Å; N154-D158 PolarHBondContact ND2-O 3.32Å; N154-D158 PolarHBondContact OD1-N 2.98Å; D156-D158 VanDerWaalsContact C-N 3.26Å; D156-D158 PolarHBondContact O-N 3.42Å; D158-Q160 PolarHBondContact O-N 3.26Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.35Å; D158-Q160 PolarHBondContact OD1-N 2.84Å; D158-G161 PolarHBondContact O-N 3.03Å; D158-H175 IonicContact OD2-CE1 3.49Å; D158-H175 PolarHBondContact OD2-CE1 3.04Å
159	N	87.1	Confident	92.5	Very high	147 Å²	147	37.6 Å²	37.6	79%	0.786	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.1	179.3	-69.3	-27.1	0	0	0	113.6	S157 G161	S157-N159 PolarHBondContact O-N 3.44Å; N159-G161 VanDerWaalsContact C-N 3.27Å
160	Q	84.3	Confident	92.7	Very high	141 Å²	141	44 Å²	44	66%	0.659	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.6	177.2	-68.6	-177.5	87.2	0	0	113.5	D158 H175	D158-Q160 PolarHBondContact O-N 3.26Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.35Å; D158-Q160 PolarHBondContact OD1-N 2.84Å; Q160-H175 VanDerWaalsContact CB-CE1 3.49Å; Q160-H175 WeakPolarHBondContact CB-CE1 3.37Å
161	G	89.1	Confident	92.9	Very high	4 Å²	4	45 Å²	45	4%	0.041	24%	0.244	C	C	.	.			trans	96.6	-174.9	174.1	0	0	0	0	0	114.9	N107 D158 N159 H175	N107-G161 WeakPolarHBondContact O-CA 3.37Å; D158-G161 PolarHBondContact O-N 3.03Å; N159-G161 VanDerWaalsContact C-N 3.27Å; G161-H175 PolarHBondContact O-ND1 2.85Å
162	P	94.6	Very high	92.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.255	C	S	.	.			trans	-57.7	144.5	-174.3	-23	32.4	0	0	0	113.7	I104 Y111 C152 R153 C176 V178	I104-P162 HydrophobicContact CD1-CG 4.5Å; I104-P162 HydrophobicContact CG2-CG 3.56Å; Y111-P162 HydrophobicContact CD1-CB 4.21Å; Y111-P162 HydrophobicContact CD1-CG 3.97Å; Y111-P162 HydrophobicContact CG-CG 4.31Å; C152-P162 HydrophobicContact CB-CB 4.07Å; R153-P162 WeakPolarHBondContact O-CA 3.28Å; P162-C176 PolarHBondContact O-N 2.91Å; P162-V178 HydrophobicContact CB-CG2 4.32Å; P162-V178 HydrophobicContact CG-CG2 4.27Å
163	W	96.2	Very high	93	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	171.8	178.9	60.4	-93.2	0	0	0	110.7	W127 Y137 C152 R153 P155 D156 Y165 W173 E174	W127-W163 HydrophobicContact CH2-CD2 4.33Å; W127-W163 AromaticContact CH2-CE3 3.91Å; W127-W163 HydrophobicContact CH2-CE3 3.91Å; W127-W163 AromaticContact CH2-CH2 3.84Å; W127-W163 HydrophobicContact CH2-CH2 3.84Å; W127-W163 HydrophobicContact CH2-CZ2 4.3Å; W127-W163 AromaticContact CH2-CZ3 3.64Å; W127-W163 HydrophobicContact CH2-CZ3 3.64Å; W127-W163 WeakPolarHBondContact CZ2-O 3.29Å; W127-W163 HydrophobicContact CZ3-CE3 4.43Å; W127-W163 AromaticContact CZ3-CH2 3.67Å; W127-W163 HydrophobicContact CZ3-CH2 3.67Å; W127-W163 HydrophobicContact CZ3-CZ2 4.39Å; W127-W163 AromaticContact CZ3-CZ3 3.7Å; W127-W163 HydrophobicContact CZ3-CZ3 3.7Å; Y137-W163 AromaticContact CD2-CH2 3.63Å; Y137-W163 HydrophobicContact CD2-CH2 3.63Å; Y137-W163 AromaticContact CD2-CZ2 3.73Å; Y137-W163 HydrophobicContact CD2-CZ2 3.73Å; Y137-W163 HydrophobicContact CE2-CH2 4.2Å; Y137-W163 AromaticContact CE2-CZ2 3.96Å; Y137-W163 HydrophobicContact CE2-CZ2 3.96Å; Y137-W163 HydrophobicContact CG-CH2 4.42Å; Y137-W163 HydrophobicContact CG-CZ2 4.47Å; C152-W163 WeakPolarHBondContact CA-O 3.35Å; R153-W163 PolarHBondContact N-O 2.87Å; R153-W163 PolarHBondContact O-N 2.98Å; P155-W163 HydrophobicContact CG-CH2 4.41Å; P155-W163 HydrophobicContact CG-CZ2 3.72Å; D156-W163 PolarHBondContact OD1-NE1 2.93Å; W163-Y165 AromaticContact CH2-CE2 3.87Å; W163-Y165 HydrophobicContact CH2-CE2 3.87Å; W163-Y165 AromaticContact CH2-CZ 3.8Å; W163-Y165 HydrophobicContact CZ3-CD1 4.41Å; W163-Y165 HydrophobicContact CZ3-CD2 4.01Å; W163-Y165 HydrophobicContact CZ3-CE1 4.11Å; W163-Y165 AromaticContact CZ3-CE2 3.7Å; W163-Y165 HydrophobicContact CZ3-CE2 3.7Å; W163-Y165 HydrophobicContact CZ3-CG 4.34Å; W163-Y165 AromaticContact CZ3-CZ 3.74Å; W163-W173 HydrophobicContact CB-CE3 4.31Å; W163-W173 HydrophobicContact CD2-CE3 4.38Å; W163-W173 HydrophobicContact CE3-CB 3.92Å; W163-W173 HydrophobicContact CE3-CE3 4.34Å; W163-W173 HydrophobicContact CE3-CG 4.41Å; W163-W173 HydrophobicContact CG-CE3 4.38Å; W163-W173 HydrophobicContact CZ3-CB 4.07Å; W163-E174 WeakPolarHBondContact CA-O 3.12Å; W163-E174 WeakPolarHBondContact CB-O 3.17Å
164	C	96.6	Very high	93	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.2	171.5	68.7	0	0	0	0	110.9	C124 W127 W173 E174	C124-C164 VanDerWaalsContact CA-SG 3.57Å; C124-C164 HydrophobicContact CB-CB 3.56Å; C124-C164 WeakPolarHBondContact CB-SG 3.2Å; C124-C164 WeakPolarHBondContact SG-CB 3.49Å; C124-C164 CovalentContact SG-SG 2.02Å; C124-C164 PolarHBondContact SG-SG 3.47Å; W127-C164 HydrophobicContact CZ2-CB 4.37Å; C164-W173 VanDerWaalsContact O-CA 3.24Å; C164-W173 WeakPolarHBondContact O-CA 3.38Å; C164-W173 WeakPolarHBondContact O-CB 3.21Å; C164-E174 PolarHBondContact N-O 3.07Å; C164-E174 VanDerWaalsContact N-O 3.13Å; C164-E174 PolarHBondContact O-N 2.92Å
165	Y	96.8	Very high	93	Very high	5 Å²	5	54.8 Å²	54.8	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	144.7	160.9	-65.4	-74.9	0	0	0	108.7	C124 Q125 W127 H133 P135 N136 Y137 W163 R172 W173	C124-Y165 CarbonylContact C-O 3.5Å; C124-Y165 VanDerWaalsContact CA-O 3.29Å; C124-Y165 WeakPolarHBondContact CA-O 3.36Å; Q125-Y165 PolarHBondContact N-O 3.11Å; W127-Y165 AromaticContact CE3-CD2 3.81Å; W127-Y165 HydrophobicContact CE3-CD2 3.81Å; W127-Y165 AromaticContact CE3-CE2 3.79Å; W127-Y165 HydrophobicContact CE3-CE2 3.79Å; W127-Y165 AromaticContact CZ3-CD2 3.74Å; W127-Y165 HydrophobicContact CZ3-CD2 3.74Å; W127-Y165 AromaticContact CZ3-CE2 3.55Å; W127-Y165 HydrophobicContact CZ3-CE2 3.55Å; H133-Y165 HydrophobicContact CB-CD1 4.31Å; P135-Y165 HydrophobicContact CB-CD2 3.91Å; P135-Y165 HydrophobicContact CB-CE2 3.48Å; P135-Y165 VanDerWaalsContact CB-CE2 3.48Å; P135-Y165 HydrophobicContact CG-CD2 4.22Å; P135-Y165 HydrophobicContact CG-CE2 4.27Å; N136-Y165 PolarHBondContact N-OH 2.88Å; Y137-Y165 PolarHBondContact N-OH 3.38Å; W163-Y165 AromaticContact CH2-CE2 3.87Å; W163-Y165 HydrophobicContact CH2-CE2 3.87Å; W163-Y165 AromaticContact CH2-CZ 3.8Å; W163-Y165 HydrophobicContact CZ3-CD1 4.41Å; W163-Y165 HydrophobicContact CZ3-CD2 4.01Å; W163-Y165 HydrophobicContact CZ3-CE1 4.11Å; W163-Y165 AromaticContact CZ3-CE2 3.7Å; W163-Y165 HydrophobicContact CZ3-CE2 3.7Å; W163-Y165 HydrophobicContact CZ3-CG 4.34Å; W163-Y165 AromaticContact CZ3-CZ 3.74Å; Y165-R172 WeakPolarHBondContact CA-O 3.5Å; Y165-R172 HydrophobicContact CD1-CG 4.31Å; Y165-R172 WeakPolarHBondContact CD1-O 3.32Å; Y165-R172 HydrophobicContact CE1-CG 4.46Å; Y165-W173 HydrophobicContact CD1-CB 4.1Å; Y165-W173 HydrophobicContact CE1-CB 4.43Å
166	T	95.8	Very high	92.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-102.7	159.5	-176.9	95	0	0	0	0	111.7	T118 L123 H133 D168 V171 R172 E174	T118-T166 HydrophobicContact CG2-CG2 3.83Å; L123-T166 CarbonylContact O-C 3.54Å; L123-T166 WeakPolarHBondContact O-CA 3.39Å; H133-T166 PolarHBondContact CD2-O 3Å; T166-D168 PolarHBondContact O-N 3.19Å; T166-D168 WeakPolarHBondContact OG1-CB 3.29Å; T166-D168 PolarHBondContact OG1-N 2.73Å; T166-D168 PolarHBondContact OG1-O 3.01Å; T166-V171 WeakPolarHBondContact CB-O 3.4Å; T166-V171 HydrophobicContact CG2-CB 4.44Å; T166-V171 HydrophobicContact CG2-CG1 3.95Å; T166-V171 WeakPolarHBondContact CG2-O 3.45Å; T166-V171 PolarHBondContact OG1-O 2.96Å; T166-R172 PolarHBondContact N-O 3.13Å; T166-E174 HydrophobicContact CG2-CB 4.09Å
167	T	93.3	Very high	92.6	Very high	65 Å²	65	55.8 Å²	55.8	40%	0.399	29%	0.286	S	S	.	.	S	Bend	trans	-78.4	-3.1	171	59.5	0	0	0	0	113.2	L123 Q125	L123-T167 HydrophobicContact CB-CG2 4.24Å; L123-T167 HydrophobicContact CD2-CG2 4.19Å; L123-T167 HydrophobicContact CG-CG2 4.15Å; L123-T167 PolarHBondContact O-N 3.43Å; L123-T167 PolarHBondContact O-OG1 2.02Å; Q125-T167 HydrophobicContact CB-CG2 4.46Å
168	D	92.8	Very high	92.2	Very high	50 Å²	50	53.2 Å²	53.2	27%	0.267	27%	0.268	S	S	.	.			trans	-83.5	119.5	176.7	-176.7	-15.3	0	0	0	109.5	K122 H133 T166 E170 V171	K122-D168 HydrophobicContact CD-CB 3.91Å; K122-D168 WeakPolarHBondContact CE-OD2 3.29Å; H133-D168 PolarHBondContact NE2-O 2.81Å; T166-D168 PolarHBondContact O-N 3.19Å; T166-D168 WeakPolarHBondContact OG1-CB 3.29Å; T166-D168 PolarHBondContact OG1-N 2.73Å; T166-D168 PolarHBondContact OG1-O 3.01Å; D168-E170 PolarHBondContact O-N 2.55Å; D168-E170 PolarHBondContact OD1-N 2.82Å; D168-V171 HydrophobicContact CB-CB 4.33Å; D168-V171 CarbonylContact O-C 3.56Å; D168-V171 PolarHBondContact O-N 3.07Å; D168-V171 VanDerWaalsContact O-O 3.09Å
169	P	92.8	Very high	91.4	Very high	87 Å²	87	54.8 Å²	54.8	57%	0.565	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.6	179.1	-24	34.8	0	0	0	114.5	P132 H133	P132-P169 HydrophobicContact CB-CB 4.49Å; P132-P169 HydrophobicContact CB-CG 4.35Å; H133-P169 PolarHBondContact CE1-O 2.82Å
170	E	94.6	Very high	90.7	Very high	172 Å²	172	50.8 Å²	50.8	80%	0.804	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-22.9	-178.1	-59.9	-57.4	130.1	0	0	112.4	D168	D168-E170 PolarHBondContact O-N 2.55Å; D168-E170 PolarHBondContact OD1-N 2.82Å
171	V	94.1	Very high	89.8	Confident	42 Å²	42	45.2 Å²	45.2	26%	0.255	24%	0.24	S	C	.	.			trans	-115	97.7	-178.6	-176.3	0	0	0	0	109.6	K122 H133 T166 D168 W173 E174	K122-V171 HydrophobicContact CD-CB 4.21Å; K122-V171 HydrophobicContact CD-CG1 4.43Å; K122-V171 HydrophobicContact CD-CG2 4.33Å; H133-V171 PolarHBondContact NE2-O 2.7Å; T166-V171 WeakPolarHBondContact CB-O 3.4Å; T166-V171 HydrophobicContact CG2-CB 4.44Å; T166-V171 HydrophobicContact CG2-CG1 3.95Å; T166-V171 WeakPolarHBondContact CG2-O 3.45Å; T166-V171 PolarHBondContact OG1-O 2.96Å; D168-V171 HydrophobicContact CB-CB 4.33Å; D168-V171 CarbonylContact O-C 3.56Å; D168-V171 PolarHBondContact O-N 3.07Å; D168-V171 VanDerWaalsContact O-O 3.09Å; V171-W173 PolarHBondContact O-N 2.84Å; V171-E174 HydrophobicContact CG1-CB 4.3Å
172	R	94.7	Very high	88.1	Confident	91 Å²	91	48.3 Å²	48.3	34%	0.343	26%	0.258	S	S	.	.			trans	-57.3	-49	-176.5	-174.6	173.4	168	74.7	-1.2	113.6	H133 R134 N136 Y165 T166	H133-R172 HydrophobicContact CB-CG 4.3Å; H133-R172 PolarHBondContact CD2-O 3.39Å; H133-R172 VanDerWaalsContact CE1-CA 3.49Å; H133-R172 WeakPolarHBondContact CE1-CA 3.25Å; H133-R172 WeakPolarHBondContact NE2-CA 3.18Å; R134-R172 PolarHBondContact O-NH1 2.91Å; R134-R172 PolarHBondContact O-NH2 2.91Å; N136-R172 PolarHBondContact OD1-NH2 3.28Å; Y165-R172 WeakPolarHBondContact CA-O 3.5Å; Y165-R172 HydrophobicContact CD1-CG 4.31Å; Y165-R172 WeakPolarHBondContact CD1-O 3.32Å; Y165-R172 HydrophobicContact CE1-CG 4.46Å; T166-R172 PolarHBondContact N-O 3.13Å
173	W	95.7	Very high	86.6	Confident	116 Å²	116	50.7 Å²	50.7	44%	0.439	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158	179.2	63.8	-90.4	0	0	0	109.8	W163 C164 Y165 V171 H175	W163-W173 HydrophobicContact CB-CE3 4.31Å; W163-W173 HydrophobicContact CD2-CE3 4.38Å; W163-W173 HydrophobicContact CE3-CB 3.92Å; W163-W173 HydrophobicContact CE3-CE3 4.34Å; W163-W173 HydrophobicContact CE3-CG 4.41Å; W163-W173 HydrophobicContact CG-CE3 4.38Å; W163-W173 HydrophobicContact CZ3-CB 4.07Å; C164-W173 VanDerWaalsContact O-CA 3.24Å; C164-W173 WeakPolarHBondContact O-CA 3.38Å; C164-W173 WeakPolarHBondContact O-CB 3.21Å; Y165-W173 HydrophobicContact CD1-CB 4.1Å; Y165-W173 HydrophobicContact CE1-CB 4.43Å; V171-W173 PolarHBondContact O-N 2.84Å; W173-H175 AromaticContact CZ3-CE1 3.91Å; W173-H175 AromaticContact CZ3-NE2 3.55Å
174	E	96	Very high	85.1	Confident	20 Å²	20	56 Å²	56	9%	0.093	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	149.1	178.9	-172.2	-175.4	-179	0	0	110.4	T118 K119 T120 K122 W163 C164 T166 V171	T118-E174 VanDerWaalsContact CB-OE2 3.25Å; T118-E174 WeakPolarHBondContact CB-OE2 3.29Å; T118-E174 HydrophobicContact CG2-CB 3.75Å; T118-E174 HydrophobicContact CG2-CG 4.34Å; T118-E174 PolarHBondContact OG1-OE2 3.05Å; K119-E174 HydrophobicContact CG-CG 4.21Å; K119-E174 VanDerWaalsContact CG-OE1 3.23Å; K119-E174 WeakPolarHBondContact CG-OE1 3.42Å; T120-E174 WeakPolarHBondContact CB-OE1 3.49Å; T120-E174 WeakPolarHBondContact CG2-OE1 3.2Å; T120-E174 PolarHBondContact N-OE1 3.17Å; T120-E174 PolarHBondContact OG1-OE1 2.87Å; T120-E174 PolarHBondContact OG1-OE2 2.9Å; K122-E174 IonicContact NZ-OE2 3.48Å; K122-E174 PolarHBondContact NZ-OE2 2.9Å; W163-E174 WeakPolarHBondContact CA-O 3.12Å; W163-E174 WeakPolarHBondContact CB-O 3.17Å; C164-E174 PolarHBondContact N-O 3.07Å; C164-E174 VanDerWaalsContact N-O 3.13Å; C164-E174 PolarHBondContact O-N 2.92Å; T166-E174 HydrophobicContact CG2-CB 4.09Å; V171-E174 HydrophobicContact CG1-CB 4.3Å
175	H	94.3	Very high	84.2	Confident	16 Å²	16	57.5 Å²	57.5	7%	0.074	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	148	174	-61.8	-77.4	0	0	0	112.4	K119 D158 Q160 G161 W173	K119-H175 WeakPolarHBondContact CG-O 3.26Å; K119-H175 PolarHBondContact N-O 3.41Å; D158-H175 IonicContact OD2-CE1 3.49Å; D158-H175 PolarHBondContact OD2-CE1 3.04Å; Q160-H175 VanDerWaalsContact CB-CE1 3.49Å; Q160-H175 WeakPolarHBondContact CB-CE1 3.37Å; G161-H175 PolarHBondContact O-ND1 2.85Å; W173-H175 AromaticContact CZ3-CE1 3.91Å; W173-H175 AromaticContact CZ3-NE2 3.55Å
176	C	91.4	Very high	83.5	Confident	12 Å²	12	57.7 Å²	57.7	8%	0.081	31%	0.31	C	S	.	.			trans	-97.6	144.3	175.5	-56.8	0	0	0	0	110.9	K115 C152 P162 V178	K115-C176 HydrophobicContact CG-CB 4.37Å; C152-C176 HydrophobicContact CB-CB 3.56Å; C152-C176 WeakPolarHBondContact CB-SG 3.15Å; C152-C176 WeakPolarHBondContact SG-CB 3.11Å; C152-C176 CovalentContact SG-SG 2.02Å; C152-C176 PolarHBondContact SG-SG 3.45Å; P162-C176 PolarHBondContact O-N 2.91Å; C176-V178 HydrophobicContact CB-CG2 4.04Å; C176-V178 PolarHBondContact O-N 3.49Å; C176-V178 VanDerWaalsContact O-N 3.13Å
177	N	84.8	Confident	82.6	Confident	92 Å²	92	60.6 Å²	60.6	49%	0.492	33%	0.327	S	S	.	.			trans	-84.2	86.4	172.4	-169.6	17.2	0	0	0	109.4	K115 K119	K115-N177 WeakPolarHBondContact CE-O 3.44Å; K115-N177 PolarHBondContact NZ-O 3.3Å; K119-N177 HydrophobicContact CB-CB 4.21Å
178	V	81.6	Confident	82	Confident	12 Å²	12	58.5 Å²	58.5	7%	0.073	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-101.5	126.3	175	-173.2	0	0	0	0	108.4	I104 Y111 K115 P162 C176	I104-V178 HydrophobicContact CB-CG1 4.44Å; I104-V178 HydrophobicContact CG2-CB 3.93Å; I104-V178 HydrophobicContact CG2-CG1 3.49Å; I104-V178 VanDerWaalsContact CG2-CG1 3.49Å; Y111-V178 HydrophobicContact CD2-CG1 4.14Å; Y111-V178 HydrophobicContact CE1-CG1 4.21Å; Y111-V178 HydrophobicContact CE1-CG2 4.01Å; Y111-V178 HydrophobicContact CE2-CG1 3.65Å; K115-V178 HydrophobicContact CB-CG2 4.11Å; K115-V178 HydrophobicContact CG-CG2 4.1Å; P162-V178 HydrophobicContact CB-CG2 4.32Å; P162-V178 HydrophobicContact CG-CG2 4.27Å; C176-V178 HydrophobicContact CB-CG2 4.04Å; C176-V178 PolarHBondContact O-N 3.49Å; C176-V178 VanDerWaalsContact O-N 3.13Å
179	P	73.8	Confident	81.6	Confident	72 Å²	72	56.4 Å²	56.4	47%	0.468	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-65.6	151.6	-178.7	27.1	-33.9	0	0	0	111.4	E102 C103 I104	E102-P179 WeakPolarHBondContact O-CG 3.29Å; C103-P179 CarbonylContact C-O 3.14Å; C103-P179 WeakPolarHBondContact CA-O 3.1Å; C103-P179 HydrophobicContact CB-CG 4.26Å; C103-P179 WeakPolarHBondContact CB-O 3.47Å; I104-P179 PolarHBondContact N-O 3.11Å
180	S	71.8	Confident	81.3	Confident	64 Å²	64	52.3 Å²	52.3	45%	0.448	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-71.1	139.1	174.4	-171	0	0	0	0	111.6	I104 T182	I104-S180 CarbonylContact O-C 3.48Å; I104-S180 WeakPolarHBondContact O-CA 3.41Å; I104-S180 PolarHBondContact O-OG 2.72Å; S180-T182 PolarHBondContact OG-N 3.29Å; S180-T182 PolarHBondContact OG-OG1 3.36Å
181	C	64.6	Low	80.7	Confident	23 Å²	23	47.3 Å²	47.3	16%	0.155	25%	0.254	C	S	.	.	S	Bend	trans	-80	-19	166.8	-69.1	0	0	0	0	111.7	C103 I104 S105 E183	C103-C181 VanDerWaalsContact CA-SG 3.52Å; C103-C181 HydrophobicContact CB-CB 3.92Å; C103-C181 WeakPolarHBondContact CB-SG 3.43Å; C103-C181 PolarHBondContact O-SG 3.02Å; C103-C181 WeakPolarHBondContact SG-CA 3.34Å; C103-C181 WeakPolarHBondContact SG-CB 3.36Å; C103-C181 CovalentContact SG-SG 2.04Å; C103-C181 PolarHBondContact SG-SG 3.21Å; I104-C181 PolarHBondContact N-SG 2.64Å; I104-C181 PolarHBondContact O-N 2.9Å; S105-C181 WeakPolarHBondContact OG-CB 3.24Å; C181-E183 VanDerWaalsContact C-N 3.28Å; C181-E183 WeakPolarHBondContact O-CG 3.29Å; C181-E183 PolarHBondContact O-N 3.31Å
182	T	55.1	Low	79.8	Confident	69 Å²	69	51.4 Å²	51.4	42%	0.423	28%	0.275	S	S	.	.			trans	-75.2	94.4	173.9	56.6	0	0	0	0	108.4	S180 D184	S180-T182 PolarHBondContact OG-N 3.29Å; S180-T182 PolarHBondContact OG-OG1 3.36Å; T182-D184 PolarHBondContact O-N 3.22Å
183	E	61.5	Low	79.3	Confident	51 Å²	51	47.3 Å²	47.3	24%	0.238	26%	0.259	C	S	.	.			trans	-71.1	49.4	177.2	-60.8	-130.4	-157.2	0	0	112.9	C181 Y193 R194 G195	C181-E183 VanDerWaalsContact C-N 3.28Å; C181-E183 WeakPolarHBondContact O-CG 3.29Å; C181-E183 PolarHBondContact O-N 3.31Å; E183-Y193 HydrophobicContact CB-CD2 4.44Å; E183-Y193 HydrophobicContact CB-CE2 4.01Å; E183-Y193 WeakPolarHBondContact O-CE2 3.33Å; E183-Y193 VanDerWaalsContact O-CZ 3.31Å; E183-Y193 PolarHBondContact O-OH 3.07Å; E183-Y193 WeakPolarHBondContact OE2-CA 3.21Å; E183-Y193 WeakPolarHBondContact OE2-CD2 3.37Å; E183-R194 VanDerWaalsContact CD-CA 3.49Å; E183-R194 WeakPolarHBondContact OE1-CA 3.16Å; E183-R194 WeakPolarHBondContact OE1-CB 3.37Å; E183-R194 WeakPolarHBondContact OE1-CG 3.19Å; E183-R194 PolarHBondContact OE1-N 3.03Å; E183-R194 VanDerWaalsContact OE2-C 3.23Å; E183-R194 VanDerWaalsContact OE2-CA 3.26Å; E183-R194 WeakPolarHBondContact OE2-CA 3.34Å; E183-R194 PolarHBondContact OE2-N 3.33Å; E183-G195 VanDerWaalsContact CB-N 3.34Å; E183-G195 PolarHBondContact OE2-N 2.9Å
184	D	66	Low	78.6	Confident	116 Å²	116	44.3 Å²	44.3	62%	0.62	25%	0.248	S	C	*	.	S	Bend	trans	-80.5	-12.8	169.9	-62.9	-34.9	0	0	0	110.6	T182 I259 P260	T182-D184 PolarHBondContact O-N 3.22Å; D184-I259 WeakPolarHBondContact O-CG2 3.43Å; D184-P260 WeakPolarHBondContact O-CD 3.19Å; D184-P260 WeakPolarHBondContact O-CG 3.48Å
185	C	76.5	Confident	77.8	Confident	33 Å²	33	43.5 Å²	43.5	22%	0.223	25%	0.245	C	C	.	.	S	Bend	trans	-132.4	155.1	-177.9	63.2	0	0	0	0	113	P260 C262	C185-P260 CarbonylContact C-O 3.5Å; C185-P260 WeakPolarHBondContact CA-O 3.38Å; C185-P260 HydrophobicContact CB-CG 4.27Å; C185-P260 WeakPolarHBondContact CB-O 3.22Å; C185-C262 HydrophobicContact CB-CB 4.03Å; C185-C262 WeakPolarHBondContact CB-SG 3.31Å; C185-C262 PolarHBondContact O-SG 3.23Å; C185-C262 WeakPolarHBondContact SG-CA 3.41Å; C185-C262 WeakPolarHBondContact SG-CB 3.4Å; C185-C262 CovalentContact SG-SG 2.04Å; C185-C262 PolarHBondContact SG-SG 3.02Å
186	I	82.5	Confident	77.4	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.041	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-94	139.2	173.3	58.1	174	0	0	0	111.1	Y193 R242 P243 I259 P260 R261 C262	I186-Y193 HydrophobicContact CG2-CD2 3.69Å; I186-Y193 HydrophobicContact CG2-CE2 4.27Å; I186-Y193 HydrophobicContact CG2-CG 3.99Å; I186-R242 HydrophobicContact CD1-CB 4.36Å; I186-P243 HydrophobicContact CG2-CG 3.67Å; I186-I259 HydrophobicContact CG2-CB 3.99Å; I186-I259 HydrophobicContact CG2-CD1 4.26Å; I186-I259 HydrophobicContact CG2-CG2 3.68Å; I186-P260 PolarHBondContact N-O 2.97Å; I186-R261 HydrophobicContact CD1-CG 4.31Å; I186-R261 HydrophobicContact CG1-CG 3.93Å; I186-R261 WeakPolarHBondContact O-CA 3.47Å; I186-C262 PolarHBondContact O-N 3.36Å
187	V	77	Confident	77.3	Confident	61 Å²	61	51.6 Å²	51.6	37%	0.37	28%	0.282	S	S	.	.	S	Bend	trans	-96.4	143.9	161.2	-177.2	0	0	0	0	107.8	N189 G190 C262 P267	V187-N189 PolarHBondContact O-N 3.49Å; V187-G190 PolarHBondContact O-N 3.04Å; V187-C262 HydrophobicContact CG2-CB 4.1Å; V187-P267 VanDerWaalsContact CG1-CD 3.42Å; V187-P267 HydrophobicContact CG1-CG 4.26Å
188	C	80.9	Confident	77.7	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.149	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	-121.6	-175.6	-50.9	0	0	0	0	112.6	C316	C188-C316 WeakPolarHBondContact CA-SG 3.26Å; C188-C316 HydrophobicContact CB-CB 3.65Å; C188-C316 WeakPolarHBondContact CB-SG 3.44Å; C188-C316 WeakPolarHBondContact SG-CB 3.25Å; C188-C316 CovalentContact SG-SG 2.01Å; C188-C316 PolarHBondContact SG-SG 3.26Å
189	N	84.4	Confident	78.3	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.032	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	8.5	171.1	60.1	-29.8	0	0	0	112.4	V187 E191 N236 D240 P241 R242	V187-N189 PolarHBondContact O-N 3.49Å; N189-E191 PolarHBondContact ND2-OE1 3.35Å; N189-E191 PolarHBondContact OD1-OE1 2.8Å; N189-N236 PolarHBondContact O-ND2 3.46Å; N189-D240 PolarHBondContact ND2-O 2.75Å; N189-P241 WeakPolarHBondContact CB-O 3.36Å; N189-R242 WeakPolarHBondContact O-CA 3.46Å
190	G	85.1	Confident	79.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.01	27%	0.266	C	S	.	.	S	Bend	trans	75.7	23.9	177.5	0	0	0	0	0	115.5	V187 D192 Y193 N236	V187-G190 PolarHBondContact O-N 3.04Å; G190-D192 PolarHBondContact O-N 3.47Å; G190-Y193 WeakPolarHBondContact O-CB 3.46Å; G190-Y193 PolarHBondContact O-N 2.73Å; G190-Y193 VanDerWaalsContact O-N 3.13Å; G190-N236 WeakPolarHBondContact O-CB 3.49Å
191	E	83.1	Confident	80.3	Confident	67 Å²	67	50 Å²	50	31%	0.313	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-38.3	168.7	-74.3	175	-149.1	0	0	111.1	N189 R194 K317	N189-E191 PolarHBondContact ND2-OE1 3.35Å; N189-E191 PolarHBondContact OD1-OE1 2.8Å; E191-R194 PolarHBondContact O-NH1 2.47Å; E191-K317 IonicContact OE1-NZ 3.79Å; E191-K317 PolarHBondContact OE1-NZ 3.24Å; E191-K317 IonicContact OE2-NZ 2.75Å
192	D	75.9	Confident	81.7	Confident	128 Å²	128	53.6 Å²	53.6	68%	0.684	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	9.3	178.6	-64.8	-44.9	0	0	0	114.5	G190 R194	G190-D192 PolarHBondContact O-N 3.47Å; D192-R194 VanDerWaalsContact CA-NH1 3.29Å; D192-R194 PolarHBondContact O-N 2.75Å; D192-R194 PolarHBondContact O-NH1 3.12Å; D192-R194 IonicContact OD1-NH2 3.42Å; D192-R194 PolarHBondContact OD1-NH2 2.85Å
193	Y	82.7	Confident	83.4	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.02	29%	0.29	C	S	.	.			trans	-67.5	121.8	175.3	-174.7	-102.9	0	0	0	111	E183 I186 G190 G195 T197 C234 R235 P243 I259	E183-Y193 HydrophobicContact CB-CD2 4.44Å; E183-Y193 HydrophobicContact CB-CE2 4.01Å; E183-Y193 WeakPolarHBondContact O-CE2 3.33Å; E183-Y193 VanDerWaalsContact O-CZ 3.31Å; E183-Y193 PolarHBondContact O-OH 3.07Å; E183-Y193 WeakPolarHBondContact OE2-CA 3.21Å; E183-Y193 WeakPolarHBondContact OE2-CD2 3.37Å; I186-Y193 HydrophobicContact CG2-CD2 3.69Å; I186-Y193 HydrophobicContact CG2-CE2 4.27Å; I186-Y193 HydrophobicContact CG2-CG 3.99Å; G190-Y193 WeakPolarHBondContact O-CB 3.46Å; G190-Y193 PolarHBondContact O-N 2.73Å; G190-Y193 VanDerWaalsContact O-N 3.13Å; Y193-G195 WeakPolarHBondContact OH-CA 3.22Å; Y193-T197 PolarHBondContact OH-OG1 3.15Å; Y193-C234 VanDerWaalsContact CD1-O 3.27Å; Y193-C234 WeakPolarHBondContact CD1-O 2.88Å; Y193-C234 HydrophobicContact CE1-CB 4.45Å; Y193-R235 VanDerWaalsContact O-CD 3.24Å; Y193-R235 WeakPolarHBondContact O-CD 3.41Å; Y193-P243 HydrophobicContact CD1-CB 4.34Å; Y193-P243 HydrophobicContact CD1-CG 4.14Å; Y193-P243 HydrophobicContact CG-CG 4.21Å; Y193-I259 HydrophobicContact CD1-CD1 3.92Å; Y193-I259 HydrophobicContact CD2-CG2 4.4Å; Y193-I259 HydrophobicContact CE1-CD1 3.47Å; Y193-I259 VanDerWaalsContact CE1-CD1 3.47Å; Y193-I259 HydrophobicContact CE1-CG1 4.43Å; Y193-I259 HydrophobicContact CE2-CD1 4.22Å; Y193-I259 HydrophobicContact CE2-CG2 3.69Å; Y193-I259 HydrophobicContact CG-CD1 4.48Å
194	R	80.9	Confident	85	Confident	52 Å²	52	53.3 Å²	53.3	20%	0.196	29%	0.292	C	S	.	.			trans	-114.2	11.9	167.7	-34.9	-70.7	173.2	-104	-4.7	114.3	E183 E191 D192 F228 R235	E183-R194 VanDerWaalsContact CD-CA 3.49Å; E183-R194 WeakPolarHBondContact OE1-CA 3.16Å; E183-R194 WeakPolarHBondContact OE1-CB 3.37Å; E183-R194 WeakPolarHBondContact OE1-CG 3.19Å; E183-R194 PolarHBondContact OE1-N 3.03Å; E183-R194 VanDerWaalsContact OE2-C 3.23Å; E183-R194 VanDerWaalsContact OE2-CA 3.26Å; E183-R194 WeakPolarHBondContact OE2-CA 3.34Å; E183-R194 PolarHBondContact OE2-N 3.33Å; E191-R194 PolarHBondContact O-NH1 2.47Å; D192-R194 VanDerWaalsContact CA-NH1 3.29Å; D192-R194 PolarHBondContact O-N 2.75Å; D192-R194 PolarHBondContact O-NH1 3.12Å; D192-R194 IonicContact OD1-NH2 3.42Å; D192-R194 PolarHBondContact OD1-NH2 2.85Å; R194-F228 VanDerWaalsContact CD-CB 3.47Å; R194-R235 PolarHBondContact O-NH2 2.66Å; R194-R235 VanDerWaalsContact O-NH2 3.1Å
195	G	80.3	Confident	86.5	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	28%	0.284	C	S	.	.			trans	-65.1	170.4	179.5	0	0	0	0	0	114.7	E183 Y193 Y233 R235	E183-G195 VanDerWaalsContact CB-N 3.34Å; E183-G195 PolarHBondContact OE2-N 2.9Å; Y193-G195 WeakPolarHBondContact OH-CA 3.22Å; G195-Y233 WeakPolarHBondContact O-CB 3.33Å; G195-R235 PolarHBondContact O-NH1 3.1Å
196	K	86.4	Confident	87.5	Confident	156 Å²	156	49.8 Å²	49.8	68%	0.678	27%	0.274	S	S	*	.			trans	-97.4	7.4	-168	-61.8	-174.9	180	-179	0	114.3	S198 Y233	K196-S198 PolarHBondContact O-N 3.34Å; K196-Y233 HydrophobicContact CB-CD1 4.09Å; K196-Y233 HydrophobicContact CB-CE1 3.83Å; K196-Y233 HydrophobicContact CG-CE1 4.13Å; K196-Y233 HydrophobicContact CG-CE2 4.16Å; K196-Y233 VanDerWaalsContact O-CD1 3.3Å; K196-Y233 WeakPolarHBondContact O-CD1 2.86Å
197	T	88.9	Confident	88.1	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.258	27%	0.273	S	S	.	.			trans	-56	124.5	175.2	-57.2	0	0	0	0	109.2	Y193 Y233 C234 C257 I259	Y193-T197 PolarHBondContact OH-OG1 3.15Å; T197-Y233 CarbonylContact O-C 3.59Å; T197-Y233 WeakPolarHBondContact O-CA 3.45Å; T197-C234 PolarHBondContact O-N 3.06Å; T197-C234 PolarHBondContact O-SG 2.76Å; T197-C257 HydrophobicContact CG2-CB 4.48Å; T197-I259 HydrophobicContact CG2-CG1 4.07Å
198	S	93.6	Very high	88.9	Confident	36 Å²	36	51.4 Å²	51.4	25%	0.252	27%	0.273	S	S	.	.			trans	-130.5	22.4	-176	67.3	0	0	0	0	112.8	K196 C206	K196-S198 PolarHBondContact O-N 3.34Å; S198-C206 WeakPolarHBondContact O-CB 3.49Å; S198-C206 PolarHBondContact O-N 3.37Å; S198-C206 PolarHBondContact O-SG 3.18Å; S198-C206 VanDerWaalsContact O-SG 3.34Å
199	T	93.6	Very high	89.5	Confident	67 Å²	67	50.4 Å²	50.4	41%	0.411	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-133.1	138	-179.5	-51.3	0	0	0	0	109	F204	T199-F204 WeakPolarHBondContact CA-O 3.23Å
200	T	95.4	Very high	89.6	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.043	29%	0.286	C	S	.	.			trans	-79.4	166.5	-178.9	80.4	0	0	0	0	111.2	N202 G203 F204 C245 T247 D255 F256	T200-N202 PolarHBondContact O-N 3.4Å; T200-N202 PolarHBondContact OG1-N 2.89Å; T200-G203 PolarHBondContact O-N 3.09Å; T200-F204 HydrophobicContact CG2-CB 4.06Å; T200-F204 WeakPolarHBondContact CG2-O 3.14Å; T200-F204 PolarHBondContact N-O 3.05Å; T200-F204 WeakPolarHBondContact OG1-CB 3.39Å; T200-F204 PolarHBondContact OG1-N 3.43Å; T200-F204 VanDerWaalsContact OG1-N 3.13Å; T200-C245 VanDerWaalsContact CG2-SG 3.53Å; T200-T247 HydrophobicContact CG2-CG2 4.12Å; T200-D255 WeakPolarHBondContact CB-OD2 3.46Å; T200-D255 HydrophobicContact CG2-CB 3.73Å; T200-D255 PolarHBondContact OG1-OD2 3.45Å; T200-F256 CarbonylContact C-O 3.49Å; T200-F256 WeakPolarHBondContact CA-O 3.38Å; T200-F256 WeakPolarHBondContact CB-O 3.4Å
201	E	93.1	Very high	89.9	Confident	96 Å²	96	55.5 Å²	55.5	45%	0.449	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.5	176	-179.6	177	-121.9	0	0	112.6	G203 R242 F256	E201-G203 VanDerWaalsContact C-N 3.28Å; E201-G203 PolarHBondContact O-N 2.96Å; E201-R242 VanDerWaalsContact CD-NH2 3.35Å; E201-R242 IonicContact OE1-CZ 3.6Å; E201-R242 IonicContact OE1-NH1 3.48Å; E201-R242 PolarHBondContact OE1-NH1 3.34Å; E201-R242 IonicContact OE1-NH2 3.55Å; E201-R242 PolarHBondContact OE1-NH2 2.85Å; E201-R242 IonicContact OE2-CZ 3.64Å; E201-R242 IonicContact OE2-NH1 3.59Å; E201-R242 IonicContact OE2-NH2 2.78Å; E201-R242 PolarHBondContact OE2-NH2 2.88Å; E201-F256 PolarHBondContact N-O 2.79Å
202	N	92.1	Very high	90.3	Very high	99 Å²	99	55.5 Å²	55.5	53%	0.529	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	13.6	177.4	-60.7	-66.1	0	0	0	113.5	T200 F204 D255	T200-N202 PolarHBondContact O-N 3.4Å; T200-N202 PolarHBondContact OG1-N 2.89Å; N202-F204 HydrophobicContact CB-CD2 3.91Å; N202-F204 HydrophobicContact CB-CE2 3.77Å; N202-D255 WeakPolarHBondContact CB-OD2 3.08Å; N202-D255 PolarHBondContact ND2-OD1 2.94Å; N202-D255 PolarHBondContact ND2-OD2 2.92Å
203	G	92.4	Very high	90.8	Very high	53 Å²	53	54.2 Å²	54.2	55%	0.546	29%	0.292	S	S	.	.	S	Bend	trans	80.6	10.9	173.9	0	0	0	0	0	115.5	T200 E201	T200-G203 PolarHBondContact O-N 3.09Å; E201-G203 VanDerWaalsContact C-N 3.28Å; E201-G203 PolarHBondContact O-N 2.96Å
204	F	95	Very high	91.1	Very high	61 Å²	61	57.1 Å²	57.1	27%	0.268	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-76.9	139.8	175.4	-61.9	-78	0	0	0	110.9	T199 T200 N202 T247 K252	T199-F204 WeakPolarHBondContact CA-O 3.23Å; T200-F204 HydrophobicContact CG2-CB 4.06Å; T200-F204 WeakPolarHBondContact CG2-O 3.14Å; T200-F204 PolarHBondContact N-O 3.05Å; T200-F204 WeakPolarHBondContact OG1-CB 3.39Å; T200-F204 PolarHBondContact OG1-N 3.43Å; T200-F204 VanDerWaalsContact OG1-N 3.13Å; N202-F204 HydrophobicContact CB-CD2 3.91Å; N202-F204 HydrophobicContact CB-CE2 3.77Å; F204-T247 HydrophobicContact CB-CG2 3.93Å; F204-T247 HydrophobicContact CG-CG2 4.38Å; F204-K252 HydrophobicContact CD2-CG 4.24Å; F204-K252 HydrophobicContact CE1-CB 4.39Å; F204-K252 HydrophobicContact CE2-CB 4.25Å; F204-K252 HydrophobicContact CE2-CG 4.05Å; F204-K252 HydrophobicContact CZ-CB 4.16Å; F204-K252 HydrophobicContact CZ-CG 4.45Å
205	T	96.1	Very high	91.5	Very high	74 Å²	74	55.3 Å²	55.3	45%	0.454	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-73.5	135.4	172.2	-51.5	0	0	0	0	110.2	T247 T248	T205-T247 WeakPolarHBondContact O-CA 3.48Å; T205-T248 HydrophobicContact CG2-CG2 4.46Å; T205-T248 PolarHBondContact O-N 3.24Å; T205-T248 PolarHBondContact O-OG1 3.14Å
206	C	97.2	Very high	91.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-70.5	137.6	176	-66.4	0	0	0	0	111.8	S198 N232 C245 F246	S198-C206 WeakPolarHBondContact O-CB 3.49Å; S198-C206 PolarHBondContact O-N 3.37Å; S198-C206 PolarHBondContact O-SG 3.18Å; S198-C206 VanDerWaalsContact O-SG 3.34Å; C206-N232 HydrophobicContact CB-CB 4.11Å; C206-N232 WeakPolarHBondContact CB-O 3.45Å; C206-N232 WeakPolarHBondContact O-CB 3.4Å; C206-N232 PolarHBondContact O-ND2 2.89Å; C206-C245 VanDerWaalsContact CA-SG 3.5Å; C206-C245 HydrophobicContact CB-CB 3.58Å; C206-C245 WeakPolarHBondContact CB-SG 3.47Å; C206-C245 WeakPolarHBondContact SG-CB 3.34Å; C206-C245 CovalentContact SG-SG 2.02Å; C206-C245 PolarHBondContact SG-SG 3.12Å; C206-F246 CarbonylContact C-O 3.51Å; C206-F246 WeakPolarHBondContact CA-O 3.39Å
207	Q	96.3	Very high	92	Very high	5 Å²	5	48.6 Å²	48.6	2%	0.023	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-73.7	145.3	166.8	179.4	-176.3	-52.6	0	0	109.5	S211 T213 Q215 H217 N232 F246 T248	Q207-S211 PolarHBondContact NE2-O 2.94Å; Q207-T213 WeakPolarHBondContact CG-O 3.28Å; Q207-T213 VanDerWaalsContact OE1-C 3.25Å; Q207-T213 PolarHBondContact OE1-O 3.29Å; Q207-Q215 PolarHBondContact NE2-O 2.85Å; Q207-Q215 VanDerWaalsContact OE1-CB 3.3Å; Q207-Q215 PolarHBondContact OE1-O 2.7Å; Q207-H217 PolarHBondContact NE2-NE2 3.19Å; Q207-N232 WeakPolarHBondContact O-CB 3.47Å; Q207-F246 HydrophobicContact CB-CB 4.02Å; Q207-F246 PolarHBondContact N-O 3.19Å; Q207-T248 HydrophobicContact CB-CG2 4.45Å
208	R	94.6	Very high	91.7	Very high	97 Å²	97	46.7 Å²	46.7	37%	0.366	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-64.6	139.6	172.3	-64.4	173.5	61.1	92.6	9.2	111.2	D210 S211 E231 N232	R208-D210 VanDerWaalsContact C-N 3.28Å; R208-D210 WeakPolarHBondContact CB-OD1 3.5Å; R208-D210 IonicContact CZ-OD1 3.79Å; R208-D210 IonicContact CZ-OD2 2.74Å; R208-D210 IonicContact NE-OD1 3.78Å; R208-D210 PolarHBondContact NE-OD1 2.82Å; R208-D210 IonicContact NE-OD2 2.63Å; R208-D210 PolarHBondContact NE-OD2 3.1Å; R208-D210 IonicContact NH2-OD1 3.97Å; R208-D210 IonicContact NH2-OD2 3.99Å; R208-D210 PolarHBondContact NH2-OD2 3.13Å; R208-D210 PolarHBondContact O-N 2.71Å; R208-S211 WeakPolarHBondContact O-CB 3.47Å; R208-S211 PolarHBondContact O-N 3.49Å; R208-E231 CarbonylContact C-O 3.24Å; R208-E231 WeakPolarHBondContact CA-O 3.31Å; R208-E231 IonicContact CZ-OE2 2.75Å; R208-E231 IonicContact NH1-OE1 2.97Å; R208-E231 IonicContact NH1-OE2 2.85Å; R208-E231 PolarHBondContact NH1-OE2 3.13Å; R208-E231 IonicContact NH2-OE1 3.7Å; R208-E231 IonicContact NH2-OE2 3.01Å; R208-N232 HydrophobicContact CB-CB 4.35Å; R208-N232 HydrophobicContact CG-CB 3.95Å
209	W	91.7	Very high	91.4	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.8	179.8	-64.4	102.5	0	0	0	113.5	S211 H217 Y219 P221 L229 E231 Y233 R235 P237 W244 C245 F246	W209-S211 VanDerWaalsContact C-N 3.3Å; W209-H217 PolarHBondContact O-CE1 2.83Å; W209-Y219 HydrophobicContact CZ3-CG 4.18Å; W209-P221 HydrophobicContact CB-CG 3.85Å; W209-P221 WeakPolarHBondContact O-CD 3.26Å; W209-L229 HydrophobicContact CB-CB 3.8Å; W209-L229 WeakPolarHBondContact CB-O 3.24Å; W209-L229 HydrophobicContact CD2-CB 4.14Å; W209-L229 HydrophobicContact CD2-CD2 3.78Å; W209-L229 HydrophobicContact CD2-CG 4.37Å; W209-L229 HydrophobicContact CE3-CD1 4.23Å; W209-L229 HydrophobicContact CE3-CD2 3.9Å; W209-L229 HydrophobicContact CE3-CG 4.47Å; W209-L229 HydrophobicContact CG-CB 3.76Å; W209-L229 HydrophobicContact CG-CD2 4.28Å; W209-L229 HydrophobicContact CG-CG 4.49Å; W209-L229 HydrophobicContact CH2-CD2 4.29Å; W209-L229 HydrophobicContact CZ2-CD2 4.19Å; W209-L229 HydrophobicContact CZ3-CD2 4.14Å; W209-E231 VanDerWaalsContact CD1-O 3.32Å; W209-E231 PolarHBondContact N-O 2.95Å; W209-Y233 PolarHBondContact NE1-O 3.27Å; W209-R235 HydrophobicContact CZ2-CB 3.77Å; W209-R235 HydrophobicContact CZ2-CG 4.25Å; W209-P237 HydrophobicContact CH2-CG 4.33Å; W209-W244 HydrophobicContact CH2-CD2 4.49Å; W209-W244 HydrophobicContact CH2-CE3 4.21Å; W209-W244 AromaticContact CH2-CH2 3.99Å; W209-W244 HydrophobicContact CH2-CH2 3.99Å; W209-W244 HydrophobicContact CH2-CZ2 4.31Å; W209-W244 AromaticContact CH2-CZ3 3.95Å; W209-W244 HydrophobicContact CH2-CZ3 3.95Å; W209-W244 HydrophobicContact CZ3-CH2 4Å; W209-W244 HydrophobicContact CZ3-CZ3 4.17Å; W209-C245 HydrophobicContact CZ2-CB 4.38Å; W209-F246 HydrophobicContact CE3-CD2 4.25Å; W209-F246 HydrophobicContact CE3-CE2 4.42Å; W209-F246 AromaticContact CZ3-CD2 3.9Å; W209-F246 HydrophobicContact CZ3-CD2 3.9Å; W209-F246 AromaticContact CZ3-CE2 3.88Å; W209-F246 HydrophobicContact CZ3-CE2 3.88Å
210	D	88	Confident	90.9	Very high	84 Å²	84	44.9 Å²	44.9	45%	0.449	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.6	173.2	62.1	-0.1	0	0	0	113.1	R208 P221	R208-D210 VanDerWaalsContact C-N 3.28Å; R208-D210 WeakPolarHBondContact CB-OD1 3.5Å; R208-D210 IonicContact CZ-OD1 3.79Å; R208-D210 IonicContact CZ-OD2 2.74Å; R208-D210 IonicContact NE-OD1 3.78Å; R208-D210 PolarHBondContact NE-OD1 2.82Å; R208-D210 IonicContact NE-OD2 2.63Å; R208-D210 PolarHBondContact NE-OD2 3.1Å; R208-D210 IonicContact NH2-OD1 3.97Å; R208-D210 IonicContact NH2-OD2 3.99Å; R208-D210 PolarHBondContact NH2-OD2 3.13Å; R208-D210 PolarHBondContact O-N 2.71Å; D210-P221 HydrophobicContact CB-CG 4.33Å
211	S	91.4	Very high	90.2	Very high	30 Å²	30	46.1 Å²	46.1	21%	0.21	26%	0.257	C	S	.	.			trans	-87.4	138.5	176.6	-178.1	0	0	0	0	111.2	Q207 R208 W209 T213 H217	Q207-S211 PolarHBondContact NE2-O 2.94Å; R208-S211 WeakPolarHBondContact O-CB 3.47Å; R208-S211 PolarHBondContact O-N 3.49Å; W209-S211 VanDerWaalsContact C-N 3.3Å; S211-T213 PolarHBondContact OG-N 2.87Å; S211-T213 VanDerWaalsContact OG-N 3.11Å; S211-T213 PolarHBondContact OG-O 3.19Å; S211-T213 PolarHBondContact OG-OG1 2.82Å; S211-H217 PolarHBondContact O-NE2 3.07Å
212	Q	90.3	Very high	89.3	Confident	67 Å²	67	45.9 Å²	45.9	31%	0.313	27%	0.266	S	S	.	.			trans	-99.3	12.6	170.7	-65.6	-63.1	-45.9	0	0	112.7	Q215 N216 H217	Q212-Q215 CarbonylContact O-C 3.39Å; Q212-N216 WeakPolarHBondContact O-CA 3.2Å; Q212-N216 PolarHBondContact O-N 2.89Å; Q212-H217 PolarHBondContact NE2-O 2.93Å; Q212-H217 PolarHBondContact OE1-O 2.85Å
213	T	87.5	Confident	88.3	Confident	100 Å²	100	44.1 Å²	44.1	61%	0.613	26%	0.259	S	S	*	.	S	Bend	trans	-136.6	143.1	-178.1	62.1	0	0	0	0	112.4	Q207 S211 Q215	Q207-T213 WeakPolarHBondContact CG-O 3.28Å; Q207-T213 VanDerWaalsContact OE1-C 3.25Å; Q207-T213 PolarHBondContact OE1-O 3.29Å; S211-T213 PolarHBondContact OG-N 2.87Å; S211-T213 VanDerWaalsContact OG-N 3.11Å; S211-T213 PolarHBondContact OG-O 3.19Å; S211-T213 PolarHBondContact OG-OG1 2.82Å; T213-Q215 VanDerWaalsContact C-N 3.34Å
214	P	89.3	Confident	87.5	Confident	66 Å²	66	43 Å²	43	43%	0.429	24%	0.24	S	C	.	.	S	Bend	cis	-74.3	-16.5	-3.4	30.2	-34.8	0	0	0	114.3	T248	P214-T248 WeakPolarHBondContact CG-O 3.29Å
215	Q	89.1	Confident	86.3	Confident	14 Å²	14	41.6 Å²	41.6	7%	0.065	24%	0.237	C	C	.	.	S	Bend	trans	-101.8	107.7	-178.3	-52	-64.1	-15	0	0	109.6	Q207 Q212 T213 H217 F246 T247 S249 R253	Q207-Q215 PolarHBondContact NE2-O 2.85Å; Q207-Q215 VanDerWaalsContact OE1-CB 3.3Å; Q207-Q215 PolarHBondContact OE1-O 2.7Å; Q212-Q215 CarbonylContact O-C 3.39Å; T213-Q215 VanDerWaalsContact C-N 3.34Å; Q215-H217 PolarHBondContact O-CD2 2.91Å; Q215-H217 VanDerWaalsContact O-CD2 3.25Å; Q215-F246 HydrophobicContact CB-CB 4.33Å; Q215-F246 HydrophobicContact CB-CD1 4.03Å; Q215-F246 HydrophobicContact CB-CG 4.46Å; Q215-T247 WeakPolarHBondContact CG-O 3.48Å; Q215-S249 PolarHBondContact NE2-O 2.9Å; Q215-R253 HydrophobicContact CB-CG 4.43Å; Q215-R253 HydrophobicContact CG-CG 4.32Å
216	N	87.6	Confident	85.1	Confident	15 Å²	15	41 Å²	41	8%	0.08	23%	0.229	C	C	.	.			trans	-72.6	141.7	172.1	73.2	-34.1	0	0	0	110.3	Q212 R253 D672 I674 K780	Q212-N216 WeakPolarHBondContact O-CA 3.2Å; Q212-N216 PolarHBondContact O-N 2.89Å; N216-R253 PolarHBondContact O-NH1 3.06Å; N216-R253 PolarHBondContact O-NH2 2.88Å; N216-D672 PolarHBondContact ND2-O 3.07Å; N216-I674 HydrophobicContact CB-CG1 4.24Å; N216-I674 VanDerWaalsContact ND2-CD1 3.27Å; N216-I674 WeakPolarHBondContact ND2-CD1 3.38Å; N216-I674 VanDerWaalsContact ND2-CG1 3.33Å; N216-I674 WeakPolarHBondContact ND2-CG1 3.48Å; N216-K780 WeakPolarHBondContact ND2-CE 3.43Å; N216-K780 PolarHBondContact ND2-NZ 3.42Å
217	H	88.1	Confident	84.2	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.014	24%	0.244	C	C	.	.			trans	-160.3	159.7	-172.2	61.3	68	0	0	0	114.6	Q207 W209 S211 Q212 Q215 Y219 F246	Q207-H217 PolarHBondContact NE2-NE2 3.19Å; W209-H217 PolarHBondContact O-CE1 2.83Å; S211-H217 PolarHBondContact O-NE2 3.07Å; Q212-H217 PolarHBondContact NE2-O 2.93Å; Q212-H217 PolarHBondContact OE1-O 2.85Å; Q215-H217 PolarHBondContact O-CD2 2.91Å; Q215-H217 VanDerWaalsContact O-CD2 3.25Å; H217-Y219 PolarHBondContact CE1-O 3.37Å; H217-Y219 VanDerWaalsContact CE1-O 3.27Å; H217-Y219 PolarHBondContact ND1-N 2.82Å; H217-Y219 PolarHBondContact ND1-O 2.57Å; H217-F246 HydrophobicContact CB-CD1 4.38Å; H217-F246 HydrophobicContact CB-CD2 4.15Å; H217-F246 HydrophobicContact CB-CE1 3.76Å; H217-F246 HydrophobicContact CB-CE2 3.47Å; H217-F246 VanDerWaalsContact CB-CE2 3.47Å; H217-F246 HydrophobicContact CB-CZ 3.26Å; H217-F246 AromaticContact CD2-CD2 3.2Å; H217-F246 WeakPolarHBondContact CD2-CD2 2.97Å; H217-F246 AromaticContact CD2-CE2 3.42Å; H217-F246 VanDerWaalsContact CD2-CE2 3.42Å; H217-F246 WeakPolarHBondContact CD2-CE2 3.03Å; H217-F246 AromaticContact CD2-CG 3.62Å; H217-F246 AromaticContact CG-CD2 3.65Å; H217-F246 AromaticContact CG-CE2 3.31Å; H217-F246 AromaticContact CG-CZ 3.7Å; H217-F246 AromaticContact ND1-CE2 3.84Å; H217-F246 AromaticContact NE2-CD2 3.57Å; H217-F246 AromaticContact NE2-CE2 3.96Å
218	G	83.8	Confident	83.4	Confident	2 Å²	2	48 Å²	48	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-82.9	-4.3	-178.5	0	0	0	0	0	116.1	N220 I674 E707	G218-N220 VanDerWaalsContact C-N 3.34Å; G218-N220 PolarHBondContact O-N 3.05Å; G218-N220 VanDerWaalsContact O-N 3.12Å; G218-I674 VanDerWaalsContact N-CG2 3.27Å; G218-E707 PolarHBondContact N-OE1 2.53Å
219	Y	87.3	Confident	83	Confident	13 Å²	13	43.8 Å²	43.8	5%	0.051	24%	0.244	C	C	.	.			trans	-86	66.5	-179.5	-62.3	-92.7	0	0	0	112.1	W209 H217 L224 L229 P237 D238 W244 F246 E707	W209-Y219 HydrophobicContact CZ3-CG 4.18Å; H217-Y219 PolarHBondContact CE1-O 3.37Å; H217-Y219 VanDerWaalsContact CE1-O 3.27Å; H217-Y219 PolarHBondContact ND1-N 2.82Å; H217-Y219 PolarHBondContact ND1-O 2.57Å; Y219-L224 HydrophobicContact CD1-CD1 4.15Å; Y219-L229 WeakPolarHBondContact O-CD1 3.32Å; Y219-P237 HydrophobicContact CD1-CB 3.99Å; Y219-P237 HydrophobicContact CD1-CG 3.56Å; Y219-P237 HydrophobicContact CE1-CB 4.13Å; Y219-P237 HydrophobicContact CE1-CG 3.61Å; Y219-D238 HydrophobicContact CE1-CB 4.14Å; Y219-D238 PolarHBondContact OH-OD2 3.02Å; Y219-W244 AromaticContact CD2-CH2 3.89Å; Y219-W244 HydrophobicContact CD2-CH2 3.89Å; Y219-W244 HydrophobicContact CE1-CH2 4.29Å; Y219-W244 AromaticContact CE1-CZ2 3.97Å; Y219-W244 HydrophobicContact CE1-CZ2 3.97Å; Y219-W244 AromaticContact CE2-CH2 3.56Å; Y219-W244 HydrophobicContact CE2-CH2 3.56Å; Y219-W244 AromaticContact CE2-CZ2 3.97Å; Y219-W244 HydrophobicContact CE2-CZ2 3.97Å; Y219-W244 HydrophobicContact CG-CH2 4.36Å; Y219-W244 AromaticContact CZ-CH2 3.78Å; Y219-W244 AromaticContact CZ-CZ2 3.67Å; Y219-F246 AromaticContact CD2-CE2 3.62Å; Y219-F246 HydrophobicContact CD2-CE2 3.62Å; Y219-F246 AromaticContact CD2-CZ 3.72Å; Y219-F246 HydrophobicContact CD2-CZ 3.72Å; Y219-F246 HydrophobicContact CE2-CE2 4.31Å; Y219-F246 HydrophobicContact CE2-CZ 4.05Å; Y219-F246 HydrophobicContact CG-CE2 4.32Å; Y219-E707 HydrophobicContact CE2-CG 3.77Å
220	N	82.5	Confident	82.6	Confident	52 Å²	52	48.1 Å²	48.1	28%	0.278	26%	0.264	S	S	.	.			trans	-88	129.4	179.9	-173.3	-34.6	0	0	0	110.6	G218 S222 T223 L224	G218-N220 VanDerWaalsContact C-N 3.34Å; G218-N220 PolarHBondContact O-N 3.05Å; G218-N220 VanDerWaalsContact O-N 3.12Å; N220-S222 VanDerWaalsContact CG-OG 3.24Å; N220-S222 PolarHBondContact O-N 3.43Å; N220-S222 PolarHBondContact OD1-N 2.87Å; N220-S222 PolarHBondContact OD1-OG 3.15Å; N220-T223 HydrophobicContact CB-CG2 4.29Å; N220-T223 PolarHBondContact O-N 2.89Å; N220-T223 PolarHBondContact O-OG1 3.21Å; N220-L224 PolarHBondContact O-N 2.86Å
221	P	81.8	Confident	82.7	Confident	34 Å²	34	48 Å²	48	22%	0.221	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.2	179.2	-24.6	32.9	0	0	0	114.2	W209 D210 L224 P225 L229	W209-P221 HydrophobicContact CB-CG 3.85Å; W209-P221 WeakPolarHBondContact O-CD 3.26Å; D210-P221 HydrophobicContact CB-CG 4.33Å; P221-L224 CarbonylContact O-C 3.6Å; P221-P225 VanDerWaalsContact O-CA 3.27Å; P221-P225 WeakPolarHBondContact O-CA 3.41Å; P221-L229 HydrophobicContact CB-CB 4.18Å; P221-L229 HydrophobicContact CG-CB 3.86Å; P221-L229 WeakPolarHBondContact CG-O 3.48Å
222	S	73.5	Confident	82.8	Confident	90 Å²	90	48.2 Å²	48.2	63%	0.629	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-28	177.8	61.5	0	0	0	0	113.5	N220	N220-S222 VanDerWaalsContact CG-OG 3.24Å; N220-S222 PolarHBondContact O-N 3.43Å; N220-S222 PolarHBondContact OD1-N 2.87Å; N220-S222 PolarHBondContact OD1-OG 3.15Å
223	T	71.2	Confident	82.9	Confident	62 Å²	62	47.4 Å²	47.4	38%	0.38	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-22.8	179.2	63.1	0	0	0	0	112.6	N220 P676	N220-T223 HydrophobicContact CB-CG2 4.29Å; N220-T223 PolarHBondContact O-N 2.89Å; N220-T223 PolarHBondContact O-OG1 3.21Å; T223-P676 HydrophobicContact CG2-CG 4.22Å
224	L	74.6	Confident	83.2	Confident	31 Å²	31	42.6 Å²	42.6	16%	0.162	23%	0.225	C	C	.	.			trans	-126.7	56.5	179.1	-60.9	175.8	0	0	0	111.7	Y219 N220 P221 E226 K227 L229	Y219-L224 HydrophobicContact CD1-CD1 4.15Å; N220-L224 PolarHBondContact O-N 2.86Å; P221-L224 CarbonylContact O-C 3.6Å; L224-E226 VanDerWaalsContact C-OE2 3.25Å; L224-E226 WeakPolarHBondContact CA-OE2 3.19Å; L224-E226 PolarHBondContact O-N 2.8Å; L224-K227 HydrophobicContact CB-CB 4.24Å; L224-K227 HydrophobicContact CB-CG 3.89Å; L224-K227 WeakPolarHBondContact O-CB 3.46Å; L224-K227 PolarHBondContact O-N 2.99Å; L224-K227 VanDerWaalsContact O-N 3.08Å; L224-L229 HydrophobicContact CB-CD1 4.28Å; L224-L229 HydrophobicContact CD1-CD1 4.46Å
225	P	70.2	Confident	83.4	Confident	30 Å²	30	39.5 Å²	39.5	20%	0.195	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-65.3	-25.9	-174.9	30	-38.2	0	0	0	112.6	P221 K227 F228 D435 P436	P221-P225 VanDerWaalsContact O-CA 3.27Å; P221-P225 WeakPolarHBondContact O-CA 3.41Å; P225-K227 PolarHBondContact O-N 3.2Å; P225-F228 PolarHBondContact O-N 2.95Å; P225-D435 HydrophobicContact CG-CB 4.08Å; P225-P436 HydrophobicContact CB-CG 4.32Å
226	E	71.6	Confident	83.5	Confident	61 Å²	61	39.1 Å²	39.1	29%	0.285	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-70.5	-9.1	176.2	80.6	-68.5	170.2	0	0	113.8	L224 F228	L224-E226 VanDerWaalsContact C-OE2 3.25Å; L224-E226 WeakPolarHBondContact CA-OE2 3.19Å; L224-E226 PolarHBondContact O-N 2.8Å; E226-F228 WeakPolarHBondContact O-CD2 3.36Å; E226-F228 WeakPolarHBondContact O-CE2 3.5Å
227	K	78.3	Confident	83.5	Confident	76 Å²	76	38.8 Å²	38.8	33%	0.33	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-95.1	-2.6	-179.6	-59.5	-58	-176.7	165	0	113.8	L224 P225 L229 P237	L224-K227 HydrophobicContact CB-CB 4.24Å; L224-K227 HydrophobicContact CB-CG 3.89Å; L224-K227 WeakPolarHBondContact O-CB 3.46Å; L224-K227 PolarHBondContact O-N 2.99Å; L224-K227 VanDerWaalsContact O-N 3.08Å; P225-K227 PolarHBondContact O-N 3.2Å; K227-L229 HydrophobicContact CB-CD1 4.3Å; K227-L229 HydrophobicContact CB-CD2 4.18Å; K227-L229 HydrophobicContact CB-CG 3.84Å; K227-L229 PolarHBondContact O-N 2.96Å; K227-P237 HydrophobicContact CB-CB 3.96Å; K227-P237 HydrophobicContact CD-CB 4.17Å; K227-P237 WeakPolarHBondContact CD-O 3.24Å; K227-P237 VanDerWaalsContact CE-O 3.22Å; K227-P237 WeakPolarHBondContact CE-O 3.25Å; K227-P237 HydrophobicContact CG-CB 4.03Å; K227-P237 PolarHBondContact NZ-O 2.85Å
228	F	79.1	Confident	83.1	Confident	80 Å²	80	41.2 Å²	41.2	35%	0.351	22%	0.215	S	C	.	.			trans	52.1	43.8	175.6	-51.6	-91.5	0	0	0	112.8	R194 P225 E226 E230 R235	R194-F228 VanDerWaalsContact CD-CB 3.47Å; P225-F228 PolarHBondContact O-N 2.95Å; E226-F228 WeakPolarHBondContact O-CD2 3.36Å; E226-F228 WeakPolarHBondContact O-CE2 3.5Å; F228-E230 PolarHBondContact O-N 2.96Å; F228-R235 WeakPolarHBondContact O-CD 3.45Å; F228-R235 PolarHBondContact O-NE 3.37Å
229	L	85.8	Confident	83	Confident	7 Å²	7	42 Å²	42	4%	0.037	22%	0.223	C	C	.	.			trans	-74.6	63.2	-178.5	-62.8	-179.1	0	0	0	111.1	W209 Y219 P221 L224 K227 R235 P237	W209-L229 HydrophobicContact CB-CB 3.8Å; W209-L229 WeakPolarHBondContact CB-O 3.24Å; W209-L229 HydrophobicContact CD2-CB 4.14Å; W209-L229 HydrophobicContact CD2-CD2 3.78Å; W209-L229 HydrophobicContact CD2-CG 4.37Å; W209-L229 HydrophobicContact CE3-CD1 4.23Å; W209-L229 HydrophobicContact CE3-CD2 3.9Å; W209-L229 HydrophobicContact CE3-CG 4.47Å; W209-L229 HydrophobicContact CG-CB 3.76Å; W209-L229 HydrophobicContact CG-CD2 4.28Å; W209-L229 HydrophobicContact CG-CG 4.49Å; W209-L229 HydrophobicContact CH2-CD2 4.29Å; W209-L229 HydrophobicContact CZ2-CD2 4.19Å; W209-L229 HydrophobicContact CZ3-CD2 4.14Å; Y219-L229 WeakPolarHBondContact O-CD1 3.32Å; P221-L229 HydrophobicContact CB-CB 4.18Å; P221-L229 HydrophobicContact CG-CB 3.86Å; P221-L229 WeakPolarHBondContact CG-O 3.48Å; L224-L229 HydrophobicContact CB-CD1 4.28Å; L224-L229 HydrophobicContact CD1-CD1 4.46Å; K227-L229 HydrophobicContact CB-CD1 4.3Å; K227-L229 HydrophobicContact CB-CD2 4.18Å; K227-L229 HydrophobicContact CB-CG 3.84Å; K227-L229 PolarHBondContact O-N 2.96Å; L229-R235 HydrophobicContact CD2-CB 3.92Å; L229-R235 HydrophobicContact CD2-CG 4.11Å; L229-P237 HydrophobicContact CD2-CB 3.93Å; L229-P237 HydrophobicContact CD2-CG 4.04Å
230	E	83.3	Confident	83	Confident	93 Å²	93	41.8 Å²	41.8	44%	0.435	22%	0.223	S	C	.	.			trans	-84.8	138.9	-174.6	-65.6	166.8	-175	0	0	111.4	F228 N232 Y233 R235	F228-E230 PolarHBondContact O-N 2.96Å; E230-N232 PolarHBondContact O-N 3.03Å; E230-Y233 HydrophobicContact CB-CD2 4.29Å; E230-Y233 PolarHBondContact O-N 2.65Å; E230-R235 IonicContact OE2-NH2 2.65Å
231	E	90	Very high	83.2	Confident	83 Å²	83	40.1 Å²	40.1	39%	0.388	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	-132.8	172.9	-60.3	-62.8	131.6	0	0	111.7	R208 W209 Y233	R208-E231 CarbonylContact C-O 3.24Å; R208-E231 WeakPolarHBondContact CA-O 3.31Å; R208-E231 IonicContact CZ-OE2 2.75Å; R208-E231 IonicContact NH1-OE1 2.97Å; R208-E231 IonicContact NH1-OE2 2.85Å; R208-E231 PolarHBondContact NH1-OE2 3.13Å; R208-E231 IonicContact NH2-OE1 3.7Å; R208-E231 IonicContact NH2-OE2 3.01Å; W209-E231 VanDerWaalsContact CD1-O 3.32Å; W209-E231 PolarHBondContact N-O 2.95Å; E231-Y233 HydrophobicContact CB-CD1 4.48Å; E231-Y233 HydrophobicContact CB-CD2 3.91Å; E231-Y233 HydrophobicContact CB-CE1 4.27Å; E231-Y233 HydrophobicContact CB-CE2 3.7Å; E231-Y233 HydrophobicContact CB-CG 4.31Å; E231-Y233 HydrophobicContact CG-CD2 4.37Å; E231-Y233 HydrophobicContact CG-CE2 3.75Å
232	N	93.3	Very high	83.6	Confident	34 Å²	34	41.7 Å²	41.7	18%	0.182	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	26.1	171.8	69.9	-26.3	0	0	0	112.4	C206 Q207 R208 E230	C206-N232 HydrophobicContact CB-CB 4.11Å; C206-N232 WeakPolarHBondContact CB-O 3.45Å; C206-N232 WeakPolarHBondContact O-CB 3.4Å; C206-N232 PolarHBondContact O-ND2 2.89Å; Q207-N232 WeakPolarHBondContact O-CB 3.47Å; R208-N232 HydrophobicContact CB-CB 4.35Å; R208-N232 HydrophobicContact CG-CB 3.95Å; E230-N232 PolarHBondContact O-N 3.03Å
233	Y	93.4	Very high	84.5	Confident	49 Å²	49	37.5 Å²	37.5	19%	0.192	19%	0.187	C	C	.	.			trans	-75.2	147	-176.6	-55.8	-40.3	0	0	0	111.4	G195 K196 T197 W209 E230 E231 R235	G195-Y233 WeakPolarHBondContact O-CB 3.33Å; K196-Y233 HydrophobicContact CB-CD1 4.09Å; K196-Y233 HydrophobicContact CB-CE1 3.83Å; K196-Y233 HydrophobicContact CG-CE1 4.13Å; K196-Y233 HydrophobicContact CG-CE2 4.16Å; K196-Y233 VanDerWaalsContact O-CD1 3.3Å; K196-Y233 WeakPolarHBondContact O-CD1 2.86Å; T197-Y233 CarbonylContact O-C 3.59Å; T197-Y233 WeakPolarHBondContact O-CA 3.45Å; W209-Y233 PolarHBondContact NE1-O 3.27Å; E230-Y233 HydrophobicContact CB-CD2 4.29Å; E230-Y233 PolarHBondContact O-N 2.65Å; E231-Y233 HydrophobicContact CB-CD1 4.48Å; E231-Y233 HydrophobicContact CB-CD2 3.91Å; E231-Y233 HydrophobicContact CB-CE1 4.27Å; E231-Y233 HydrophobicContact CB-CE2 3.7Å; E231-Y233 HydrophobicContact CB-CG 4.31Å; E231-Y233 HydrophobicContact CG-CD2 4.37Å; E231-Y233 HydrophobicContact CG-CE2 3.75Å; Y233-R235 PolarHBondContact O-N 3.46Å
234	C	94.3	Very high	85.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.			trans	-59.4	132.2	173.7	-60.9	0	0	0	0	110.1	Y193 T197 P243 C257 I259	Y193-C234 VanDerWaalsContact CD1-O 3.27Å; Y193-C234 WeakPolarHBondContact CD1-O 2.88Å; Y193-C234 HydrophobicContact CE1-CB 4.45Å; T197-C234 PolarHBondContact O-N 3.06Å; T197-C234 PolarHBondContact O-SG 2.76Å; C234-P243 HydrophobicContact CB-CB 4.09Å; C234-C257 HydrophobicContact CB-CB 3.62Å; C234-C257 WeakPolarHBondContact CB-SG 3.43Å; C234-C257 WeakPolarHBondContact SG-CB 3.25Å; C234-C257 CovalentContact SG-SG 2.02Å; C234-C257 PolarHBondContact SG-SG 3.31Å; C234-I259 HydrophobicContact CB-CD1 3.97Å
235	R	93.1	Very high	86.7	Confident	1 Å²	1	33 Å²	33	0%	0.004	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-138.5	163.3	179.6	-65.9	-66.9	179.3	-99.4	7.1	109.9	Y193 R194 G195 W209 F228 L229 E230 Y233 P237 P243 W244	Y193-R235 VanDerWaalsContact O-CD 3.24Å; Y193-R235 WeakPolarHBondContact O-CD 3.41Å; R194-R235 PolarHBondContact O-NH2 2.66Å; R194-R235 VanDerWaalsContact O-NH2 3.1Å; G195-R235 PolarHBondContact O-NH1 3.1Å; W209-R235 HydrophobicContact CZ2-CB 3.77Å; W209-R235 HydrophobicContact CZ2-CG 4.25Å; F228-R235 WeakPolarHBondContact O-CD 3.45Å; F228-R235 PolarHBondContact O-NE 3.37Å; L229-R235 HydrophobicContact CD2-CB 3.92Å; L229-R235 HydrophobicContact CD2-CG 4.11Å; E230-R235 IonicContact OE2-NH2 2.65Å; Y233-R235 PolarHBondContact O-N 3.46Å; R235-P237 WeakPolarHBondContact O-CD 3.29Å; R235-P243 CarbonylContact O-C 3.35Å; R235-P243 WeakPolarHBondContact O-CA 3.36Å; R235-W244 PolarHBondContact N-O 3.16Å; R235-W244 PolarHBondContact O-N 1.99Å
236	N	90.9	Very high	87.9	Confident	6 Å²	6	31.7 Å²	31.7	3%	0.032	15%	0.152	C	C	.	.			trans	-123.4	69.1	173.5	-169	-0.2	0	0	0	111.2	N189 G190 D238 G239 D240 P243	N189-N236 PolarHBondContact O-ND2 3.46Å; G190-N236 WeakPolarHBondContact O-CB 3.49Å; N236-D238 VanDerWaalsContact C-N 3.3Å; N236-D238 PolarHBondContact O-N 2.79Å; N236-D238 PolarHBondContact OD1-OD1 3.25Å; N236-G239 PolarHBondContact OD1-N 3.22Å; N236-D240 PolarHBondContact ND2-O 2.74Å; N236-D240 WeakPolarHBondContact OD1-CB 3.4Å; N236-D240 PolarHBondContact OD1-N 3.45Å; N236-P243 HydrophobicContact CB-CB 4.39Å; N236-P243 HydrophobicContact CB-CG 4.29Å
237	P	87.1	Confident	89.1	Confident	7 Å²	7	28.8 Å²	28.8	5%	0.045	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-23.1	-172.9	28.8	-36.2	0	0	0	114.2	W209 Y219 K227 L229 R235 W244	W209-P237 HydrophobicContact CH2-CG 4.33Å; Y219-P237 HydrophobicContact CD1-CB 3.99Å; Y219-P237 HydrophobicContact CD1-CG 3.56Å; Y219-P237 HydrophobicContact CE1-CB 4.13Å; Y219-P237 HydrophobicContact CE1-CG 3.61Å; K227-P237 HydrophobicContact CB-CB 3.96Å; K227-P237 HydrophobicContact CD-CB 4.17Å; K227-P237 WeakPolarHBondContact CD-O 3.24Å; K227-P237 VanDerWaalsContact CE-O 3.22Å; K227-P237 WeakPolarHBondContact CE-O 3.25Å; K227-P237 HydrophobicContact CG-CB 4.03Å; K227-P237 PolarHBondContact NZ-O 2.85Å; L229-P237 HydrophobicContact CD2-CB 3.93Å; L229-P237 HydrophobicContact CD2-CG 4.04Å; R235-P237 WeakPolarHBondContact O-CD 3.29Å; P237-W244 HydrophobicContact CG-CZ2 3.95Å
238	D	81	Confident	89.8	Confident	54 Å²	54	28.6 Å²	28.6	29%	0.289	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	8.4	-171.5	54.1	-3.9	0	0	0	114	Y219 N236 D240 W244 K709	Y219-D238 HydrophobicContact CE1-CB 4.14Å; Y219-D238 PolarHBondContact OH-OD2 3.02Å; N236-D238 VanDerWaalsContact C-N 3.3Å; N236-D238 PolarHBondContact O-N 2.79Å; N236-D238 PolarHBondContact OD1-OD1 3.25Å; D238-D240 VanDerWaalsContact C-N 3.33Å; D238-W244 PolarHBondContact OD1-NE1 3.04Å; D238-W244 WeakPolarHBondContact OD2-CZ2 3.29Å; D238-K709 IonicContact OD1-NZ 2.9Å; D238-K709 IonicContact OD2-NZ 3.75Å; D238-K709 PolarHBondContact OD2-NZ 2.81Å
239	G	80.4	Confident	90.4	Very high	19 Å²	19	25.9 Å²	25.9	20%	0.196	13%	0.134	C	C	.	.			trans	70.3	29.9	176.7	0	0	0	0	0	113.1	N236 Y314	N236-G239 PolarHBondContact OD1-N 3.22Å; G239-Y314 WeakPolarHBondContact O-CE1 3.19Å; G239-Y314 PolarHBondContact O-OH 2.73Å
240	D	87.1	Confident	90.6	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.048	17%	0.167	C	C	.	.			trans	-62.3	171.7	172.6	-110.2	-12	0	0	0	112	N189 N236 D238 R242 F256 K709	N189-D240 PolarHBondContact ND2-O 2.75Å; N236-D240 PolarHBondContact ND2-O 2.74Å; N236-D240 WeakPolarHBondContact OD1-CB 3.4Å; N236-D240 PolarHBondContact OD1-N 3.45Å; D238-D240 VanDerWaalsContact C-N 3.33Å; D240-R242 PolarHBondContact O-N 3.01Å; D240-F256 HydrophobicContact CB-CE1 4.2Å; D240-K709 IonicContact OD2-NZ 3.52Å; D240-K709 PolarHBondContact OD2-NZ 3.4Å
241	P	86.5	Confident	90.7	Very high	17 Å²	17	31.6 Å²	31.6	11%	0.11	18%	0.183	C	C	.	.	S	Bend	trans	-60.9	-26.5	179.8	-27.6	37	0	0	0	115.1	N189 N313	N189-P241 WeakPolarHBondContact CB-O 3.36Å; P241-N313 HydrophobicContact CB-CB 4.06Å
242	R	90.2	Very high	90.7	Very high	67 Å²	67	31.3 Å²	31.3	25%	0.253	18%	0.18	S	C	.	.	S	Bend	trans	-159.4	164	179	61.4	-177.1	178.3	164.7	4.6	110.8	I186 N189 E201 D240 F256	I186-R242 HydrophobicContact CD1-CB 4.36Å; N189-R242 WeakPolarHBondContact O-CA 3.46Å; E201-R242 VanDerWaalsContact CD-NH2 3.35Å; E201-R242 IonicContact OE1-CZ 3.6Å; E201-R242 IonicContact OE1-NH1 3.48Å; E201-R242 PolarHBondContact OE1-NH1 3.34Å; E201-R242 IonicContact OE1-NH2 3.55Å; E201-R242 PolarHBondContact OE1-NH2 2.85Å; E201-R242 IonicContact OE2-CZ 3.64Å; E201-R242 IonicContact OE2-NH1 3.59Å; E201-R242 IonicContact OE2-NH2 2.78Å; E201-R242 PolarHBondContact OE2-NH2 2.88Å; D240-R242 PolarHBondContact O-N 3.01Å; R242-F256 HydrophobicContact CG-CB 4.2Å; R242-F256 HydrophobicContact CG-CD1 3.45Å; R242-F256 VanDerWaalsContact CG-CD1 3.45Å; R242-F256 HydrophobicContact CG-CE1 4.01Å; R242-F256 HydrophobicContact CG-CG 3.95Å
243	P	93.8	Very high	90.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.18	C	C	.	.			trans	-60.2	148.4	176.9	-22.3	34	0	0	0	113	I186 Y193 C234 R235 N236 C257 I259	I186-P243 HydrophobicContact CG2-CG 3.67Å; Y193-P243 HydrophobicContact CD1-CB 4.34Å; Y193-P243 HydrophobicContact CD1-CG 4.14Å; Y193-P243 HydrophobicContact CG-CG 4.21Å; C234-P243 HydrophobicContact CB-CB 4.09Å; R235-P243 CarbonylContact O-C 3.35Å; R235-P243 WeakPolarHBondContact O-CA 3.36Å; N236-P243 HydrophobicContact CB-CB 4.39Å; N236-P243 HydrophobicContact CB-CG 4.29Å; P243-C257 PolarHBondContact O-N 2.82Å; P243-I259 HydrophobicContact CB-CD1 3.68Å; P243-I259 HydrophobicContact CG-CD1 3.73Å
244	W	95.4	Very high	90.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	173.6	-176.5	61.9	-89.2	0	0	0	109.9	W209 Y219 R235 P237 D238 F246 W254 D255 F256 K709	W209-W244 HydrophobicContact CH2-CD2 4.49Å; W209-W244 HydrophobicContact CH2-CE3 4.21Å; W209-W244 AromaticContact CH2-CH2 3.99Å; W209-W244 HydrophobicContact CH2-CH2 3.99Å; W209-W244 HydrophobicContact CH2-CZ2 4.31Å; W209-W244 AromaticContact CH2-CZ3 3.95Å; W209-W244 HydrophobicContact CH2-CZ3 3.95Å; W209-W244 HydrophobicContact CZ3-CH2 4Å; W209-W244 HydrophobicContact CZ3-CZ3 4.17Å; Y219-W244 AromaticContact CD2-CH2 3.89Å; Y219-W244 HydrophobicContact CD2-CH2 3.89Å; Y219-W244 HydrophobicContact CE1-CH2 4.29Å; Y219-W244 AromaticContact CE1-CZ2 3.97Å; Y219-W244 HydrophobicContact CE1-CZ2 3.97Å; Y219-W244 AromaticContact CE2-CH2 3.56Å; Y219-W244 HydrophobicContact CE2-CH2 3.56Å; Y219-W244 AromaticContact CE2-CZ2 3.97Å; Y219-W244 HydrophobicContact CE2-CZ2 3.97Å; Y219-W244 HydrophobicContact CG-CH2 4.36Å; Y219-W244 AromaticContact CZ-CH2 3.78Å; Y219-W244 AromaticContact CZ-CZ2 3.67Å; R235-W244 PolarHBondContact N-O 3.16Å; R235-W244 PolarHBondContact O-N 1.99Å; P237-W244 HydrophobicContact CG-CZ2 3.95Å; D238-W244 PolarHBondContact OD1-NE1 3.04Å; D238-W244 WeakPolarHBondContact OD2-CZ2 3.29Å; W244-F246 HydrophobicContact CH2-CD2 4.43Å; W244-F246 AromaticContact CH2-CE2 3.72Å; W244-F246 HydrophobicContact CH2-CE2 3.72Å; W244-F246 AromaticContact CH2-CZ 3.85Å; W244-F246 HydrophobicContact CH2-CZ 3.85Å; W244-F246 AromaticContact CZ3-CD2 3.92Å; W244-F246 HydrophobicContact CZ3-CD2 3.92Å; W244-F246 HydrophobicContact CZ3-CE1 4.25Å; W244-F246 AromaticContact CZ3-CE2 3.61Å; W244-F246 HydrophobicContact CZ3-CE2 3.61Å; W244-F246 HydrophobicContact CZ3-CG 4.35Å; W244-F246 AromaticContact CZ3-CZ 3.78Å; W244-F246 HydrophobicContact CZ3-CZ 3.78Å; W244-W254 HydrophobicContact CB-CE3 4.44Å; W244-W254 HydrophobicContact CE3-CB 4.02Å; W244-W254 HydrophobicContact CE3-CE3 4.35Å; W244-W254 HydrophobicContact CZ3-CB 4.11Å; W244-D255 WeakPolarHBondContact CA-O 3.3Å; W244-D255 WeakPolarHBondContact CB-O 3.35Å; W244-F256 HydrophobicContact CB-CD1 3.85Å; W244-F256 HydrophobicContact CB-CE1 4.34Å; W244-K709 HydrophobicContact CE3-CD 4.36Å; W244-K709 HydrophobicContact CH2-CD 3.8Å; W244-K709 HydrophobicContact CZ2-CD 3.95Å; W244-K709 HydrophobicContact CZ3-CD 4.01Å
245	C	96.3	Very high	90.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.3	172.1	66.2	0	0	0	0	111.1	T200 C206 W209 W254 D255	T200-C245 VanDerWaalsContact CG2-SG 3.53Å; C206-C245 VanDerWaalsContact CA-SG 3.5Å; C206-C245 HydrophobicContact CB-CB 3.58Å; C206-C245 WeakPolarHBondContact CB-SG 3.47Å; C206-C245 WeakPolarHBondContact SG-CB 3.34Å; C206-C245 CovalentContact SG-SG 2.02Å; C206-C245 PolarHBondContact SG-SG 3.12Å; W209-C245 HydrophobicContact CZ2-CB 4.38Å; C245-W254 VanDerWaalsContact O-CA 3.28Å; C245-W254 WeakPolarHBondContact O-CA 3.28Å; C245-W254 WeakPolarHBondContact O-CB 3.4Å; C245-D255 PolarHBondContact N-O 2.79Å; C245-D255 PolarHBondContact O-N 2.58Å; C245-D255 VanDerWaalsContact O-N 3.09Å
246	F	95.6	Very high	90.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	149	161	-68.8	-77.8	0	0	0	109.4	C206 Q207 W209 Q215 H217 Y219 W244 R253 W254	C206-F246 CarbonylContact C-O 3.51Å; C206-F246 WeakPolarHBondContact CA-O 3.39Å; Q207-F246 HydrophobicContact CB-CB 4.02Å; Q207-F246 PolarHBondContact N-O 3.19Å; W209-F246 HydrophobicContact CE3-CD2 4.25Å; W209-F246 HydrophobicContact CE3-CE2 4.42Å; W209-F246 AromaticContact CZ3-CD2 3.9Å; W209-F246 HydrophobicContact CZ3-CD2 3.9Å; W209-F246 AromaticContact CZ3-CE2 3.88Å; W209-F246 HydrophobicContact CZ3-CE2 3.88Å; Q215-F246 HydrophobicContact CB-CB 4.33Å; Q215-F246 HydrophobicContact CB-CD1 4.03Å; Q215-F246 HydrophobicContact CB-CG 4.46Å; H217-F246 HydrophobicContact CB-CD1 4.38Å; H217-F246 HydrophobicContact CB-CD2 4.15Å; H217-F246 HydrophobicContact CB-CE1 3.76Å; H217-F246 HydrophobicContact CB-CE2 3.47Å; H217-F246 VanDerWaalsContact CB-CE2 3.47Å; H217-F246 HydrophobicContact CB-CZ 3.26Å; H217-F246 AromaticContact CD2-CD2 3.2Å; H217-F246 WeakPolarHBondContact CD2-CD2 2.97Å; H217-F246 AromaticContact CD2-CE2 3.42Å; H217-F246 VanDerWaalsContact CD2-CE2 3.42Å; H217-F246 WeakPolarHBondContact CD2-CE2 3.03Å; H217-F246 AromaticContact CD2-CG 3.62Å; H217-F246 AromaticContact CG-CD2 3.65Å; H217-F246 AromaticContact CG-CE2 3.31Å; H217-F246 AromaticContact CG-CZ 3.7Å; H217-F246 AromaticContact ND1-CE2 3.84Å; H217-F246 AromaticContact NE2-CD2 3.57Å; H217-F246 AromaticContact NE2-CE2 3.96Å; Y219-F246 AromaticContact CD2-CE2 3.62Å; Y219-F246 HydrophobicContact CD2-CE2 3.62Å; Y219-F246 AromaticContact CD2-CZ 3.72Å; Y219-F246 HydrophobicContact CD2-CZ 3.72Å; Y219-F246 HydrophobicContact CE2-CE2 4.31Å; Y219-F246 HydrophobicContact CE2-CZ 4.05Å; Y219-F246 HydrophobicContact CG-CE2 4.32Å; W244-F246 HydrophobicContact CH2-CD2 4.43Å; W244-F246 AromaticContact CH2-CE2 3.72Å; W244-F246 HydrophobicContact CH2-CE2 3.72Å; W244-F246 AromaticContact CH2-CZ 3.85Å; W244-F246 HydrophobicContact CH2-CZ 3.85Å; W244-F246 AromaticContact CZ3-CD2 3.92Å; W244-F246 HydrophobicContact CZ3-CD2 3.92Å; W244-F246 HydrophobicContact CZ3-CE1 4.25Å; W244-F246 AromaticContact CZ3-CE2 3.61Å; W244-F246 HydrophobicContact CZ3-CE2 3.61Å; W244-F246 HydrophobicContact CZ3-CG 4.35Å; W244-F246 AromaticContact CZ3-CZ 3.78Å; W244-F246 HydrophobicContact CZ3-CZ 3.78Å; F246-R253 WeakPolarHBondContact CA-O 3.48Å; F246-R253 HydrophobicContact CD1-CG 4.15Å; F246-R253 WeakPolarHBondContact CD1-O 3.29Å; F246-R253 HydrophobicContact CE1-CG 4.23Å; F246-W254 HydrophobicContact CD1-CB 4.1Å; F246-W254 HydrophobicContact CE1-CB 4.39Å
247	T	95.7	Very high	90.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-105.9	153.4	-178.5	97.8	0	0	0	0	112.1	T200 F204 T205 Q215 S249 K252 R253 D255	T200-T247 HydrophobicContact CG2-CG2 4.12Å; F204-T247 HydrophobicContact CB-CG2 3.93Å; F204-T247 HydrophobicContact CG-CG2 4.38Å; T205-T247 WeakPolarHBondContact O-CA 3.48Å; Q215-T247 WeakPolarHBondContact CG-O 3.48Å; T247-S249 PolarHBondContact O-N 3.26Å; T247-S249 WeakPolarHBondContact OG1-CB 3.44Å; T247-S249 PolarHBondContact OG1-N 3.39Å; T247-S249 PolarHBondContact OG1-O 3.37Å; T247-K252 WeakPolarHBondContact CB-O 3.21Å; T247-K252 HydrophobicContact CG2-CB 4.5Å; T247-K252 HydrophobicContact CG2-CG 4.13Å; T247-K252 WeakPolarHBondContact CG2-O 3.41Å; T247-K252 PolarHBondContact OG1-O 2.89Å; T247-R253 PolarHBondContact N-O 2.73Å; T247-R253 VanDerWaalsContact N-O 3.08Å; T247-D255 HydrophobicContact CG2-CB 4.08Å
248	T	94.5	Very high	91.1	Very high	71 Å²	71	38.7 Å²	38.7	44%	0.436	22%	0.218	S	C	.	.	S	Bend	trans	-73.1	-4.4	171.2	58.4	0	0	0	0	113.2	T205 Q207 P214	T205-T248 HydrophobicContact CG2-CG2 4.46Å; T205-T248 PolarHBondContact O-N 3.24Å; T205-T248 PolarHBondContact O-OG1 3.14Å; Q207-T248 HydrophobicContact CB-CG2 4.45Å; P214-T248 WeakPolarHBondContact CG-O 3.29Å
249	S	91.8	Very high	91.4	Very high	23 Å²	23	36.9 Å²	36.9	16%	0.161	21%	0.208	C	C	.	.			trans	-84.6	129	175.8	-178.2	0	0	0	0	111.1	Q215 T247 S251 K252	Q215-S249 PolarHBondContact NE2-O 2.9Å; T247-S249 PolarHBondContact O-N 3.26Å; T247-S249 WeakPolarHBondContact OG1-CB 3.44Å; T247-S249 PolarHBondContact OG1-N 3.39Å; T247-S249 PolarHBondContact OG1-O 3.37Å; S249-S251 PolarHBondContact O-N 2.69Å; S249-S251 PolarHBondContact OG-N 3.02Å; S249-S251 PolarHBondContact OG-OG 2Å; S249-K252 PolarHBondContact O-N 3.32Å; S249-K252 VanDerWaalsContact O-O 3.13Å
250	P	87.9	Confident	91.7	Very high	112 Å²	112	40 Å²	40	73%	0.727	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.2	172.5	-23.4	34.3	0	0	0	113.6
251	S	87.1	Confident	91.4	Very high	108 Å²	108	45.2 Å²	45.2	76%	0.755	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.3	-176.2	62.6	0	0	0	0	114.2	S249	S249-S251 PolarHBondContact O-N 2.69Å; S249-S251 PolarHBondContact OG-N 3.02Å; S249-S251 PolarHBondContact OG-OG 2Å
252	K	89.6	Confident	90.9	Very high	77 Å²	77	46 Å²	46	34%	0.335	25%	0.25	S	C	.	.			trans	-135.3	102.3	-178.1	-173.4	75.8	175.3	-166.6	0	109.1	F204 T247 S249 W254 D255	F204-K252 HydrophobicContact CD2-CG 4.24Å; F204-K252 HydrophobicContact CE1-CB 4.39Å; F204-K252 HydrophobicContact CE2-CB 4.25Å; F204-K252 HydrophobicContact CE2-CG 4.05Å; F204-K252 HydrophobicContact CZ-CB 4.16Å; F204-K252 HydrophobicContact CZ-CG 4.45Å; T247-K252 WeakPolarHBondContact CB-O 3.21Å; T247-K252 HydrophobicContact CG2-CB 4.5Å; T247-K252 HydrophobicContact CG2-CG 4.13Å; T247-K252 WeakPolarHBondContact CG2-O 3.41Å; T247-K252 PolarHBondContact OG1-O 2.89Å; S249-K252 PolarHBondContact O-N 3.32Å; S249-K252 VanDerWaalsContact O-O 3.13Å; K252-W254 WeakPolarHBondContact CE-O 3.28Å; K252-W254 PolarHBondContact O-N 3.22Å; K252-D255 WeakPolarHBondContact CE-OD1 3.46Å; K252-D255 HydrophobicContact CG-CB 4.32Å; K252-D255 IonicContact NZ-OD1 3.69Å; K252-D255 PolarHBondContact NZ-OD1 2.87Å
253	R	90.4	Very high	89.7	Confident	47 Å²	47	50.1 Å²	50.1	18%	0.177	28%	0.282	C	S	.	.	S	Bend	trans	-60.4	-47.9	-175.7	-178.3	170	171.3	78.7	0.5	113.2	Q215 N216 F246 T247 E707	Q215-R253 HydrophobicContact CB-CG 4.43Å; Q215-R253 HydrophobicContact CG-CG 4.32Å; N216-R253 PolarHBondContact O-NH1 3.06Å; N216-R253 PolarHBondContact O-NH2 2.88Å; F246-R253 WeakPolarHBondContact CA-O 3.48Å; F246-R253 HydrophobicContact CD1-CG 4.15Å; F246-R253 WeakPolarHBondContact CD1-O 3.29Å; F246-R253 HydrophobicContact CE1-CG 4.23Å; T247-R253 PolarHBondContact N-O 2.73Å; T247-R253 VanDerWaalsContact N-O 3.08Å; R253-E707 IonicContact NH2-OE1 3.41Å
254	W	93.4	Very high	88.1	Confident	72 Å²	72	52.8 Å²	52.8	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	158.9	178.7	65.9	-88.9	0	0	0	109.4	W244 C245 F246 K252 F256 K709	W244-W254 HydrophobicContact CB-CE3 4.44Å; W244-W254 HydrophobicContact CE3-CB 4.02Å; W244-W254 HydrophobicContact CE3-CE3 4.35Å; W244-W254 HydrophobicContact CZ3-CB 4.11Å; C245-W254 VanDerWaalsContact O-CA 3.28Å; C245-W254 WeakPolarHBondContact O-CA 3.28Å; C245-W254 WeakPolarHBondContact O-CB 3.4Å; F246-W254 HydrophobicContact CD1-CB 4.1Å; F246-W254 HydrophobicContact CE1-CB 4.39Å; K252-W254 WeakPolarHBondContact CE-O 3.28Å; K252-W254 PolarHBondContact O-N 3.22Å; W254-F256 HydrophobicContact CH2-CE2 4.09Å; W254-F256 HydrophobicContact CH2-CZ 4.14Å; W254-F256 HydrophobicContact CZ3-CD1 4.46Å; W254-F256 HydrophobicContact CZ3-CD2 4.14Å; W254-F256 HydrophobicContact CZ3-CE1 4.19Å; W254-F256 AromaticContact CZ3-CE2 3.86Å; W254-F256 HydrophobicContact CZ3-CE2 3.86Å; W254-F256 HydrophobicContact CZ3-CG 4.43Å; W254-F256 AromaticContact CZ3-CZ 3.88Å; W254-F256 HydrophobicContact CZ3-CZ 3.88Å; W254-K709 HydrophobicContact CD2-CD 3.79Å; W254-K709 VanDerWaalsContact CD2-CE 3.46Å; W254-K709 HydrophobicContact CD2-CG 4.38Å; W254-K709 HydrophobicContact CE3-CD 4.35Å; W254-K709 HydrophobicContact CG-CD 3.96Å; W254-K709 HydrophobicContact CZ2-CD 4.22Å; W254-K709 HydrophobicContact CZ2-CG 4.02Å
255	D	94.8	Very high	86.1	Confident	10 Å²	10	60.9 Å²	60.9	5%	0.053	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.6	177.5	-161.1	34.1	0	0	0	110.7	T200 N202 W244 C245 T247 K252	T200-D255 WeakPolarHBondContact CB-OD2 3.46Å; T200-D255 HydrophobicContact CG2-CB 3.73Å; T200-D255 PolarHBondContact OG1-OD2 3.45Å; N202-D255 WeakPolarHBondContact CB-OD2 3.08Å; N202-D255 PolarHBondContact ND2-OD1 2.94Å; N202-D255 PolarHBondContact ND2-OD2 2.92Å; W244-D255 WeakPolarHBondContact CA-O 3.3Å; W244-D255 WeakPolarHBondContact CB-O 3.35Å; C245-D255 PolarHBondContact N-O 2.79Å; C245-D255 PolarHBondContact O-N 2.58Å; C245-D255 VanDerWaalsContact O-N 3.09Å; T247-D255 HydrophobicContact CG2-CB 4.08Å; K252-D255 WeakPolarHBondContact CE-OD1 3.46Å; K252-D255 HydrophobicContact CG-CB 4.32Å; K252-D255 IonicContact NZ-OD1 3.69Å; K252-D255 PolarHBondContact NZ-OD1 2.87Å
256	F	95.4	Very high	84.2	Confident	44 Å²	44	64.3 Å²	64.3	19%	0.193	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	152.3	178.1	-74.4	-64.8	0	0	0	111.9	T200 E201 D240 R242 W244 W254	T200-F256 CarbonylContact C-O 3.49Å; T200-F256 WeakPolarHBondContact CA-O 3.38Å; T200-F256 WeakPolarHBondContact CB-O 3.4Å; E201-F256 PolarHBondContact N-O 2.79Å; D240-F256 HydrophobicContact CB-CE1 4.2Å; R242-F256 HydrophobicContact CG-CB 4.2Å; R242-F256 HydrophobicContact CG-CD1 3.45Å; R242-F256 VanDerWaalsContact CG-CD1 3.45Å; R242-F256 HydrophobicContact CG-CE1 4.01Å; R242-F256 HydrophobicContact CG-CG 3.95Å; W244-F256 HydrophobicContact CB-CD1 3.85Å; W244-F256 HydrophobicContact CB-CE1 4.34Å; W254-F256 HydrophobicContact CH2-CE2 4.09Å; W254-F256 HydrophobicContact CH2-CZ 4.14Å; W254-F256 HydrophobicContact CZ3-CD1 4.46Å; W254-F256 HydrophobicContact CZ3-CD2 4.14Å; W254-F256 HydrophobicContact CZ3-CE1 4.19Å; W254-F256 AromaticContact CZ3-CE2 3.86Å; W254-F256 HydrophobicContact CZ3-CE2 3.86Å; W254-F256 HydrophobicContact CZ3-CG 4.43Å; W254-F256 AromaticContact CZ3-CZ 3.88Å; W254-F256 HydrophobicContact CZ3-CZ 3.88Å
257	C	94.6	Very high	82.2	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.007	39%	0.385	C	S	.	.			trans	-96.6	145	173.8	-55.8	0	0	0	0	111.5	T197 C234 P243 I259	T197-C257 HydrophobicContact CG2-CB 4.48Å; C234-C257 HydrophobicContact CB-CB 3.62Å; C234-C257 WeakPolarHBondContact CB-SG 3.43Å; C234-C257 WeakPolarHBondContact SG-CB 3.25Å; C234-C257 CovalentContact SG-SG 2.02Å; C234-C257 PolarHBondContact SG-SG 3.31Å; P243-C257 PolarHBondContact O-N 2.82Å; C257-I259 HydrophobicContact CB-CD1 3.97Å; C257-I259 HydrophobicContact CB-CG1 4.12Å; C257-I259 PolarHBondContact O-N 3.2Å
258	S	90.8	Very high	79.8	Confident	79 Å²	79	74.9 Å²	74.9	55%	0.552	43%	0.427	S	S	*	.			trans	-90.5	91.1	174.2	-168.5	0	0	0	0	109.2
259	I	88.5	Confident	77.6	Confident	16 Å²	16	75.3 Å²	75.3	8%	0.082	43%	0.426	C	S	.	.			trans	-116.3	123.5	177.5	-55.5	156.3	0	0	0	107.8	D184 I186 Y193 T197 C234 P243 C257	D184-I259 WeakPolarHBondContact O-CG2 3.43Å; I186-I259 HydrophobicContact CG2-CB 3.99Å; I186-I259 HydrophobicContact CG2-CD1 4.26Å; I186-I259 HydrophobicContact CG2-CG2 3.68Å; Y193-I259 HydrophobicContact CD1-CD1 3.92Å; Y193-I259 HydrophobicContact CD2-CG2 4.4Å; Y193-I259 HydrophobicContact CE1-CD1 3.47Å; Y193-I259 VanDerWaalsContact CE1-CD1 3.47Å; Y193-I259 HydrophobicContact CE1-CG1 4.43Å; Y193-I259 HydrophobicContact CE2-CD1 4.22Å; Y193-I259 HydrophobicContact CE2-CG2 3.69Å; Y193-I259 HydrophobicContact CG-CD1 4.48Å; T197-I259 HydrophobicContact CG2-CG1 4.07Å; C234-I259 HydrophobicContact CB-CD1 3.97Å; P243-I259 HydrophobicContact CB-CD1 3.68Å; P243-I259 HydrophobicContact CG-CD1 3.73Å; C257-I259 HydrophobicContact CB-CD1 3.97Å; C257-I259 HydrophobicContact CB-CG1 4.12Å; C257-I259 PolarHBondContact O-N 3.2Å
260	P	85.9	Confident	75.6	Confident	85 Å²	85	78.7 Å²	78.7	55%	0.552	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-63.2	158.7	-178.2	25.3	-34.6	0	0	0	112	D184 C185 I186	D184-P260 WeakPolarHBondContact O-CD 3.19Å; D184-P260 WeakPolarHBondContact O-CG 3.48Å; C185-P260 CarbonylContact C-O 3.5Å; C185-P260 WeakPolarHBondContact CA-O 3.38Å; C185-P260 HydrophobicContact CB-CG 4.27Å; C185-P260 WeakPolarHBondContact CB-O 3.22Å; I186-P260 PolarHBondContact N-O 2.97Å
261	R	80.6	Confident	73.9	Confident	118 Å²	118	78.4 Å²	78.4	45%	0.445	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-85.7	141.9	172.8	-78	-174.7	168.5	169.2	1.6	111.1	I186 E312	I186-R261 HydrophobicContact CD1-CG 4.31Å; I186-R261 HydrophobicContact CG1-CG 3.93Å; I186-R261 WeakPolarHBondContact O-CA 3.47Å; R261-E312 PolarHBondContact NH1-O 2.79Å; R261-E312 PolarHBondContact NH2-O 2.85Å
262	C	76.4	Confident	72.5	Confident	34 Å²	34	81.3 Å²	81.3	23%	0.23	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-67.7	143.7	176.5	-55.3	0	0	0	0	110.6	C185 I186 V187 S264	C185-C262 HydrophobicContact CB-CB 4.03Å; C185-C262 WeakPolarHBondContact CB-SG 3.31Å; C185-C262 PolarHBondContact O-SG 3.23Å; C185-C262 WeakPolarHBondContact SG-CA 3.41Å; C185-C262 WeakPolarHBondContact SG-CB 3.4Å; C185-C262 CovalentContact SG-SG 2.04Å; C185-C262 PolarHBondContact SG-SG 3.02Å; I186-C262 PolarHBondContact O-N 3.36Å; V187-C262 HydrophobicContact CG2-CB 4.1Å; C262-S264 VanDerWaalsContact C-N 3.33Å
263	T	66.3	Low	71.3	Confident	152 Å²	152	79.3 Å²	79.3	93%	0.933	44%	0.44	S	S	*	.	S	Bend	trans	-81.6	-11.3	179.1	49.8	0	0	0	0	113.5
264	S	59	Low	70.9	Confident	58 Å²	58	82.4 Å²	82.4	41%	0.406	46%	0.464	S	S	.	.	S	Bend	trans	-70.5	141.2	173.2	56	0	0	0	0	110.9	C262	C262-S264 VanDerWaalsContact C-N 3.33Å
265	E	53.4	Low	70.1	Confident	170 Å²	170	80.4 Å²	80.4	79%	0.794	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-51.2	135	173.1	-73.2	-172.9	161.3	0	0	110.6
266	P	55.7	Low	69.2	Low	71 Å²	71	80.2 Å²	80.2	46%	0.461	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-56.2	143.1	175.9	23.2	-31.8	0	0	0	109.2	T268	P266-T268 PolarHBondContact O-N 2.83Å
267	P	54.1	Low	67.9	Low	78 Å²	78	81.7 Å²	81.7	51%	0.506	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-52.3	137.8	179.5	20.6	-31	0	0	0	109.4	V187 I269	V187-P267 VanDerWaalsContact CG1-CD 3.42Å; V187-P267 HydrophobicContact CG1-CG 4.26Å; P267-I269 HydrophobicContact CG-CG1 4.28Å; P267-I269 WeakPolarHBondContact O-CG1 3.4Å; P267-I269 PolarHBondContact O-N 2.99Å
268	T	45.3	Very low	66.7	Low	146 Å²	146	84.3 Å²	84.3	90%	0.896	50%	0.5	S	S	*	.			trans	-66.6	87.9	170.8	33.1	0	0	0	0	108.3	P266 V270	P266-T268 PolarHBondContact O-N 2.83Å; T268-V270 PolarHBondContact O-N 3.19Å
269	I	48.1	Very low	65.6	Low	81 Å²	81	82.7 Å²	82.7	42%	0.415	48%	0.483	S	S	.	.			trans	-72.8	99.8	-179.6	-61.4	-179.4	0	0	0	108.6	P267 C316	P267-I269 HydrophobicContact CG-CG1 4.28Å; P267-I269 WeakPolarHBondContact O-CG1 3.4Å; P267-I269 PolarHBondContact O-N 2.99Å; I269-C316 HydrophobicContact CD1-CB 3.79Å
270	V	51.5	Low	65.1	Low	94 Å²	94	82 Å²	82	57%	0.57	48%	0.48	S	S	*	.	S	Bend	trans	73.9	147.3	151.9	-172.1	0	0	0	0	115.1	T268 E272 A282	T268-V270 PolarHBondContact O-N 3.19Å; V270-E272 PolarHBondContact O-N 2.87Å; V270-A282 HydrophobicContact CG1-CB 4.31Å
271	P	51.8	Low	64.8	Low	105 Å²	105	82.7 Å²	82.7	68%	0.682	48%	0.476	S	S	*	.			trans	-56.8	133.4	-178.9	-21.3	31.6	0	0	0	111.3	T273	P271-T273 PolarHBondContact O-N 3.39Å
272	E	57	Low	64.6	Low	170 Å²	170	78.4 Å²	78.4	79%	0.794	47%	0.465	S	S	*	.			trans	-63	105.6	176.5	-61.3	-177.3	159.6	0	0	109.8	V270 R284	V270-E272 PolarHBondContact O-N 2.87Å; E272-R284 HydrophobicContact CB-CB 4.22Å; E272-R284 HydrophobicContact CG-CB 4.4Å; E272-R284 HydrophobicContact CG-CG 4.49Å
273	T	65.3	Low	65	Low	35 Å²	35	76.9 Å²	76.9	22%	0.215	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-96.7	134.4	173	65.5	0	0	0	0	110.6	P271 C275 R284	P271-T273 PolarHBondContact O-N 3.39Å; T273-C275 VanDerWaalsContact C-N 3.29Å; T273-C275 WeakPolarHBondContact CB-O 3.48Å; T273-C275 PolarHBondContact OG1-O 3.03Å; T273-R284 PolarHBondContact O-N 2.63Å
274	T	80.5	Confident	66	Low	111 Å²	111	72.2 Å²	72.2	68%	0.681	42%	0.42	S	S	*	.	S	Bend	trans	-87.2	-0.5	173.2	53.1	0	0	0	0	112.8	Y283	T274-Y283 WeakPolarHBondContact O-CE2 3.29Å
275	C	77.8	Confident	67.3	Low	30 Å²	30	69.8 Å²	69.8	20%	0.203	40%	0.404	C	S	.	.	S	Bend	trans	-128.3	160.7	174.5	52	0	0	0	0	110.7	T273 P350 C352	T273-C275 VanDerWaalsContact C-N 3.29Å; T273-C275 WeakPolarHBondContact CB-O 3.48Å; T273-C275 PolarHBondContact OG1-O 3.03Å; C275-P350 CarbonylContact C-O 3.48Å; C275-P350 WeakPolarHBondContact CA-O 3.5Å; C275-P350 WeakPolarHBondContact CB-O 3.36Å; C275-C352 HydrophobicContact CB-CB 4.13Å; C275-C352 WeakPolarHBondContact CB-SG 3.39Å; C275-C352 PolarHBondContact O-SG 3.33Å; C275-C352 VanDerWaalsContact O-SG 3.41Å; C275-C352 VanDerWaalsContact SG-CA 3.53Å; C275-C352 WeakPolarHBondContact SG-CB 3.31Å; C275-C352 CovalentContact SG-SG 2.03Å; C275-C352 PolarHBondContact SG-SG 3.21Å
276	I	75.1	Confident	69.1	Low	7 Å²	7	66.7 Å²	66.7	4%	0.036	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-83.6	135	178.2	62	178.1	0	0	0	111.9	Y283 P333 V349 P350 R351 C352	I276-Y283 HydrophobicContact CG2-CD2 4.43Å; I276-Y283 HydrophobicContact CG2-CG 4.35Å; I276-P333 HydrophobicContact CG2-CG 3.66Å; I276-V349 HydrophobicContact CG2-CB 3.78Å; I276-V349 HydrophobicContact CG2-CG1 3.54Å; I276-P350 PolarHBondContact N-O 3.12Å; I276-R351 HydrophobicContact CD1-CG 3.84Å; I276-R351 HydrophobicContact CG1-CB 4.16Å; I276-R351 HydrophobicContact CG1-CG 3.62Å; I276-R351 WeakPolarHBondContact O-CA 3.4Å; I276-C352 PolarHBondContact O-N 3.27Å
277	T	67.9	Low	70.9	Confident	74 Å²	74	65.9 Å²	65.9	45%	0.454	39%	0.388	S	S	.	.	S	Bend	trans	-115.5	139.5	160	51.2	0	0	0	0	108.2	E279 G280 C352	T277-E279 PolarHBondContact O-N 2.99Å; T277-G280 PolarHBondContact O-N 3.4Å; T277-C352 HydrophobicContact CG2-CB 3.85Å
278	G	68.9	Low	72.8	Confident	57 Å²	57	63.1 Å²	63.1	59%	0.588	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-131.9	-172	0	0	0	0	0	112.1	G280	G278-G280 VanDerWaalsContact C-N 3.28Å; G278-G280 PolarHBondContact O-N 3.46Å
279	E	68.7	Low	75.1	Confident	44 Å²	44	59.5 Å²	59.5	21%	0.206	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	0.5	178.2	-49.9	-61.9	142.9	0	0	113.3	T277 N326 E330 R331 R332	T277-E279 PolarHBondContact O-N 2.99Å; E279-N326 PolarHBondContact O-ND2 2.92Å; E279-E330 WeakPolarHBondContact CB-O 3.44Å; E279-R331 WeakPolarHBondContact CA-O 3.41Å; E279-R331 VanDerWaalsContact OE2-C 3.28Å; E279-R331 WeakPolarHBondContact OE2-CA 3.39Å; E279-R332 WeakPolarHBondContact O-CA 3.42Å
280	G	77.9	Confident	77.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.01	33%	0.332	C	S	.	.	S	Bend	trans	84.9	20.9	174	0	0	0	0	0	116.3	T277 G278 A282 Y283	T277-G280 PolarHBondContact O-N 3.4Å; G278-G280 VanDerWaalsContact C-N 3.28Å; G278-G280 PolarHBondContact O-N 3.46Å; G280-A282 PolarHBondContact O-N 3.4Å; G280-Y283 WeakPolarHBondContact O-CB 3.04Å; G280-Y283 PolarHBondContact O-N 2.94Å; G280-Y283 VanDerWaalsContact O-N 3.12Å
281	Q	78.5	Confident	78.9	Confident	101 Å²	101	55.1 Å²	55.1	47%	0.472	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33	174	-62.4	176	13.4	0	0	113.4	Y283 R284 N329	Q281-Y283 VanDerWaalsContact C-N 3.29Å; Q281-R284 PolarHBondContact O-NH1 3.4Å; Q281-N329 PolarHBondContact NE2-OD1 2.87Å
282	A	77.1	Confident	80.6	Confident	27 Å²	27	54.7 Å²	54.7	22%	0.223	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.2	178.1	0	0	0	0	0	113.2	V270 G280 R284	V270-A282 HydrophobicContact CG1-CB 4.31Å; G280-A282 PolarHBondContact O-N 3.4Å; A282-R284 PolarHBondContact O-N 3.4Å
283	Y	84.3	Confident	82.1	Confident	3 Å²	3	49 Å²	49	1%	0.012	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-62.5	127.7	-178.2	174.8	-112.3	0	0	0	111.2	T274 I276 G280 Q281 G285 I287 C324 P333 V349	T274-Y283 WeakPolarHBondContact O-CE2 3.29Å; I276-Y283 HydrophobicContact CG2-CD2 4.43Å; I276-Y283 HydrophobicContact CG2-CG 4.35Å; G280-Y283 WeakPolarHBondContact O-CB 3.04Å; G280-Y283 PolarHBondContact O-N 2.94Å; G280-Y283 VanDerWaalsContact O-N 3.12Å; Q281-Y283 VanDerWaalsContact C-N 3.29Å; Y283-G285 VanDerWaalsContact CE2-CA 3.49Å; Y283-G285 VanDerWaalsContact CZ-CA 3.45Å; Y283-G285 VanDerWaalsContact OH-C 3.32Å; Y283-G285 WeakPolarHBondContact OH-CA 2.86Å; Y283-I287 WeakPolarHBondContact OH-CB 3.49Å; Y283-I287 VanDerWaalsContact OH-CG1 3.31Å; Y283-I287 WeakPolarHBondContact OH-CG1 3.2Å; Y283-I287 PolarHBondContact OH-N 2.88Å; Y283-C324 VanDerWaalsContact CD1-O 3.31Å; Y283-C324 WeakPolarHBondContact CD1-O 3Å; Y283-C324 HydrophobicContact CE1-CB 4.35Å; Y283-C324 WeakPolarHBondContact CE1-O 3.32Å; Y283-P333 HydrophobicContact CD1-CB 3.97Å; Y283-P333 HydrophobicContact CD1-CG 3.88Å; Y283-P333 HydrophobicContact CE1-CB 4.45Å; Y283-P333 HydrophobicContact CG-CG 4.17Å; Y283-V349 HydrophobicContact CD1-CG1 4.38Å; Y283-V349 HydrophobicContact CD1-CG2 4.47Å; Y283-V349 HydrophobicContact CD2-CG1 3.57Å; Y283-V349 HydrophobicContact CE1-CG1 4.11Å; Y283-V349 HydrophobicContact CE1-CG2 4.01Å; Y283-V349 HydrophobicContact CE2-CG1 3.25Å; Y283-V349 HydrophobicContact CG-CG1 4.13Å
284	R	87.9	Confident	83.4	Confident	53 Å²	53	50 Å²	50	20%	0.2	31%	0.306	C	S	.	.			trans	-127.6	10.3	178.6	-65.7	-64.1	178.6	-85.3	-1.5	113.7	E272 T273 Q281 A282 R325	E272-R284 HydrophobicContact CB-CB 4.22Å; E272-R284 HydrophobicContact CG-CB 4.4Å; E272-R284 HydrophobicContact CG-CG 4.49Å; T273-R284 PolarHBondContact O-N 2.63Å; Q281-R284 PolarHBondContact O-NH1 3.4Å; A282-R284 PolarHBondContact O-N 3.4Å; R284-R325 PolarHBondContact O-NH2 3.36Å; R284-R325 VanDerWaalsContact O-NH2 3.1Å
285	G	86.6	Confident	84.2	Confident	7 Å²	7	48.2 Å²	48.2	7%	0.072	29%	0.294	C	S	.	.			trans	-63.4	179.7	177.2	0	0	0	0	0	114.8	Y283 R325	Y283-G285 VanDerWaalsContact CE2-CA 3.49Å; Y283-G285 VanDerWaalsContact CZ-CA 3.45Å; Y283-G285 VanDerWaalsContact OH-C 3.32Å; Y283-G285 WeakPolarHBondContact OH-CA 2.86Å; G285-R325 PolarHBondContact O-NH1 3.25Å; G285-R325 PolarHBondContact O-NH2 2.81Å
286	T	91.9	Very high	85.1	Confident	106 Å²	106	46.9 Å²	46.9	65%	0.65	29%	0.285	S	S	*	.			trans	-107.1	4.7	-169	53	0	0	0	0	114.6	A288 H323	T286-A288 PolarHBondContact O-N 3.01Å; T286-H323 PolarHBondContact O-CD2 3.48Å; T286-H323 VanDerWaalsContact O-CD2 3.27Å
287	I	92.1	Very high	86	Confident	53 Å²	53	46.7 Å²	46.7	27%	0.272	28%	0.284	S	S	.	.			trans	-54.7	126.7	175.8	-62	173.3	0	0	0	109	Y283 H323 C324 C347 V349	Y283-I287 WeakPolarHBondContact OH-CB 3.49Å; Y283-I287 VanDerWaalsContact OH-CG1 3.31Å; Y283-I287 WeakPolarHBondContact OH-CG1 3.2Å; Y283-I287 PolarHBondContact OH-N 2.88Å; I287-H323 CarbonylContact O-C 3.49Å; I287-H323 WeakPolarHBondContact O-CA 3.08Å; I287-C324 PolarHBondContact O-N 3.31Å; I287-C324 PolarHBondContact O-SG 2.93Å; I287-C347 HydrophobicContact CG2-CB 4.48Å; I287-V349 HydrophobicContact CD1-CB 4.29Å; I287-V349 HydrophobicContact CD1-CG1 4.14Å; I287-V349 HydrophobicContact CD1-CG2 4.12Å
288	A	93.9	Very high	87.4	Confident	21 Å²	21	45.2 Å²	45.2	17%	0.174	28%	0.277	C	S	.	.			trans	-132.9	27.3	-175.5	0	0	0	0	0	112.2	T286 C296 N322	T286-A288 PolarHBondContact O-N 3.01Å; A288-C296 WeakPolarHBondContact O-CB 3.46Å; A288-C296 PolarHBondContact O-N 3.27Å; A288-C296 PolarHBondContact O-SG 2.85Å; A288-N322 WeakPolarHBondContact CB-OD1 3.43Å
289	V	94.4	Very high	88.5	Confident	69 Å²	69	42.5 Å²	42.5	42%	0.418	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-134	139.1	-179.9	-177.6	0	0	0	0	108.2	K294	V289-K294 WeakPolarHBondContact CA-O 3.25Å
290	T	90.6	Very high	89.7	Confident	6 Å²	6	43.3 Å²	43.3	4%	0.037	26%	0.264	C	S	.	.			trans	-78.7	171.1	-178.7	61.3	0	0	0	0	112.3	T292 G293 K294 C335 T337 E345 Y346	T290-T292 VanDerWaalsContact C-N 3.27Å; T290-T292 PolarHBondContact O-N 3.3Å; T290-G293 PolarHBondContact O-N 2.77Å; T290-K294 HydrophobicContact CG2-CB 4.32Å; T290-K294 WeakPolarHBondContact CG2-O 3.36Å; T290-K294 PolarHBondContact N-O 2.95Å; T290-K294 WeakPolarHBondContact OG1-CA 3.3Å; T290-K294 VanDerWaalsContact OG1-CB 3.27Å; T290-K294 WeakPolarHBondContact OG1-CB 3.48Å; T290-K294 PolarHBondContact OG1-N 2.02Å; T290-K294 PolarHBondContact OG1-O 2.61Å; T290-K294 VanDerWaalsContact OG1-O 3.07Å; T290-C335 VanDerWaalsContact CG2-SG 3.53Å; T290-T337 HydrophobicContact CG2-CG2 4.1Å; T290-E345 HydrophobicContact CG2-CB 3.71Å; T290-E345 HydrophobicContact CG2-CG 4.37Å; T290-Y346 CarbonylContact C-O 3.52Å; T290-Y346 VanDerWaalsContact CA-O 3.23Å; T290-Y346 WeakPolarHBondContact CA-O 3.15Å; T290-Y346 VanDerWaalsContact CB-O 3.31Å; T290-Y346 WeakPolarHBondContact CB-O 3.03Å
291	E	89.1	Confident	90.4	Very high	78 Å²	78	44.8 Å²	44.8	36%	0.364	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.7	179.5	-55.9	-165.6	132.1	0	0	112.8	G293 R332 Y346 S348	E291-G293 VanDerWaalsContact C-N 3.28Å; E291-G293 PolarHBondContact O-N 3.49Å; E291-R332 VanDerWaalsContact CD-NH2 3.27Å; E291-R332 IonicContact OE1-CZ 2.73Å; E291-R332 IonicContact OE1-NH1 3.19Å; E291-R332 PolarHBondContact OE1-NH1 2.8Å; E291-R332 IonicContact OE1-NH2 3.89Å; E291-R332 PolarHBondContact OE1-NH2 3.23Å; E291-R332 IonicContact OE2-CZ 2.8Å; E291-R332 IonicContact OE2-NH2 2.77Å; E291-R332 PolarHBondContact OE2-NH2 2.92Å; E291-Y346 WeakPolarHBondContact CG-O 3.18Å; E291-Y346 PolarHBondContact N-O 2.64Å; E291-S348 WeakPolarHBondContact CG-OG 3.5Å
292	T	86.1	Confident	91.1	Very high	95 Å²	95	43.2 Å²	43.2	58%	0.583	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	8.1	175.8	63.8	0	0	0	0	114.1	T290 K294 E345	T290-T292 VanDerWaalsContact C-N 3.27Å; T290-T292 PolarHBondContact O-N 3.3Å; T292-K294 PolarHBondContact OG1-NZ 3.27Å; T292-K294 VanDerWaalsContact OG1-NZ 3.16Å; T292-E345 WeakPolarHBondContact CB-OE1 3.49Å; T292-E345 WeakPolarHBondContact CG2-OE1 3.3Å; T292-E345 PolarHBondContact N-OE1 3.19Å; T292-E345 PolarHBondContact OG1-OE1 2.97Å; T292-E345 PolarHBondContact OG1-OE2 2.69Å
293	G	90.5	Very high	91.7	Very high	50 Å²	50	47 Å²	47	52%	0.515	29%	0.289	S	S	.	.	S	Bend	trans	87.1	7.1	175	0	0	0	0	0	115.4	T290 E291	T290-G293 PolarHBondContact O-N 2.77Å; E291-G293 VanDerWaalsContact C-N 3.28Å; E291-G293 PolarHBondContact O-N 3.49Å
294	K	92.6	Very high	91.9	Very high	57 Å²	57	49.9 Å²	49.9	25%	0.248	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-73.6	140.5	176.3	-50	-169.1	-174.2	98.9	0	111.6	V289 T290 T292 T337 D339 T342 E345	V289-K294 WeakPolarHBondContact CA-O 3.25Å; T290-K294 HydrophobicContact CG2-CB 4.32Å; T290-K294 WeakPolarHBondContact CG2-O 3.36Å; T290-K294 PolarHBondContact N-O 2.95Å; T290-K294 WeakPolarHBondContact OG1-CA 3.3Å; T290-K294 VanDerWaalsContact OG1-CB 3.27Å; T290-K294 WeakPolarHBondContact OG1-CB 3.48Å; T290-K294 PolarHBondContact OG1-N 2.02Å; T290-K294 PolarHBondContact OG1-O 2.61Å; T290-K294 VanDerWaalsContact OG1-O 3.07Å; T292-K294 PolarHBondContact OG1-NZ 3.27Å; T292-K294 VanDerWaalsContact OG1-NZ 3.16Å; K294-T337 HydrophobicContact CB-CG2 4.43Å; K294-T337 HydrophobicContact CD-CG2 4.4Å; K294-D339 HydrophobicContact CD-CB 4.11Å; K294-T342 HydrophobicContact CD-CG2 4.07Å; K294-T342 WeakPolarHBondContact CE-OG1 3.37Å; K294-T342 PolarHBondContact NZ-OG1 2.92Å; K294-T342 VanDerWaalsContact NZ-OG1 3.11Å; K294-E345 IonicContact NZ-OE2 2.95Å; K294-E345 PolarHBondContact NZ-OE2 3.48Å
295	T	95.7	Very high	91.7	Very high	73 Å²	73	48.1 Å²	48.1	45%	0.448	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-71.1	135.1	176.6	-54.5	0	0	0	0	111.1	T337 T338	T295-T337 WeakPolarHBondContact O-CA 3.38Å; T295-T338 HydrophobicContact CG2-CG2 4.28Å; T295-T338 PolarHBondContact O-N 3.21Å; T295-T338 PolarHBondContact O-OG1 3.08Å
296	C	96.5	Very high	91.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.014	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-72.1	136.4	175.9	-65.8	0	0	0	0	112	A288 N322 C335 Y336	A288-C296 WeakPolarHBondContact O-CB 3.46Å; A288-C296 PolarHBondContact O-N 3.27Å; A288-C296 PolarHBondContact O-SG 2.85Å; C296-N322 HydrophobicContact CB-CB 3.87Å; C296-N322 WeakPolarHBondContact CB-O 3.48Å; C296-N322 VanDerWaalsContact O-CB 3.28Å; C296-N322 WeakPolarHBondContact O-CB 3.46Å; C296-N322 PolarHBondContact O-ND2 2.92Å; C296-C335 VanDerWaalsContact CA-SG 3.52Å; C296-C335 HydrophobicContact CB-CB 3.55Å; C296-C335 WeakPolarHBondContact CB-SG 3.38Å; C296-C335 WeakPolarHBondContact SG-CB 3.32Å; C296-C335 CovalentContact SG-SG 2.02Å; C296-C335 PolarHBondContact SG-SG 3.49Å; C296-Y336 CarbonylContact C-O 3.5Å; C296-Y336 VanDerWaalsContact CA-O 3.29Å; C296-Y336 WeakPolarHBondContact CA-O 3.43Å
297	Q	95.6	Very high	91	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.014	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70.4	141.9	165.1	172.5	-177.2	-34.9	0	0	109.5	A301 T303 P304 H305 H307 N322 Y336 T338	Q297-A301 HydrophobicContact CG-CB 4.15Å; Q297-A301 PolarHBondContact NE2-O 3.38Å; Q297-T303 VanDerWaalsContact CD-O 3.29Å; Q297-T303 PolarHBondContact OE1-O 2.9Å; Q297-P304 VanDerWaalsContact OE1-CD 3.27Å; Q297-H305 PolarHBondContact NE2-O 2.97Å; Q297-H307 PolarHBondContact NE2-CD2 3.22Å; Q297-H307 PolarHBondContact NE2-NE2 3.01Å; Q297-N322 WeakPolarHBondContact O-CB 3.17Å; Q297-Y336 PolarHBondContact N-O 3.32Å; Q297-T338 HydrophobicContact CB-CG2 4.42Å
298	S	95.7	Very high	90.6	Very high	44 Å²	44	51.5 Å²	51.5	31%	0.308	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-62.7	136.3	174.2	173.9	0	0	0	0	111.4	A300 A301 N321	S298-A300 PolarHBondContact O-N 2.78Å; S298-A300 PolarHBondContact OG-N 2.88Å; S298-A301 WeakPolarHBondContact O-CB 3.45Å; S298-A301 PolarHBondContact O-N 2.85Å; S298-N321 CarbonylContact C-O 3.55Å; S298-N321 WeakPolarHBondContact CA-O 3.43Å; S298-N321 PolarHBondContact OG-O 2.99Å
299	W	92.2	Very high	90.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.3	178.6	-63	106.7	0	0	0	113.4	H307 R309 P311 L319 N321 H323 R325 W334 C335 Y336	W299-H307 PolarHBondContact O-CE1 3.22Å; W299-R309 HydrophobicContact CE3-CB 4.23Å; W299-R309 HydrophobicContact CZ3-CB 4.14Å; W299-P311 HydrophobicContact CB-CG 4.4Å; W299-P311 WeakPolarHBondContact O-CD 3.25Å; W299-L319 HydrophobicContact CB-CB 3.89Å; W299-L319 HydrophobicContact CD2-CB 4.32Å; W299-L319 HydrophobicContact CD2-CD1 4.49Å; W299-L319 HydrophobicContact CD2-CD2 3.89Å; W299-L319 HydrophobicContact CD2-CG 4.46Å; W299-L319 HydrophobicContact CE3-CD1 4.35Å; W299-L319 HydrophobicContact CE3-CD2 4.19Å; W299-L319 HydrophobicContact CG-CB 3.82Å; W299-L319 HydrophobicContact CG-CD2 4.25Å; W299-L319 HydrophobicContact CG-CG 4.45Å; W299-L319 HydrophobicContact CZ2-CD2 4.27Å; W299-L319 HydrophobicContact CZ3-CD2 4.5Å; W299-N321 PolarHBondContact N-O 2.79Å; W299-H323 PolarHBondContact NE1-O 3.22Å; W299-R325 HydrophobicContact CZ2-CB 3.9Å; W299-R325 HydrophobicContact CZ2-CG 4.48Å; W299-W334 HydrophobicContact CH2-CD2 4.32Å; W299-W334 HydrophobicContact CH2-CE3 4.08Å; W299-W334 HydrophobicContact CH2-CH2 4.08Å; W299-W334 HydrophobicContact CH2-CZ2 4.31Å; W299-W334 AromaticContact CH2-CZ3 3.94Å; W299-W334 HydrophobicContact CH2-CZ3 3.94Å; W299-W334 WeakPolarHBondContact CZ2-O 3.39Å; W299-W334 AromaticContact CZ3-CH2 3.97Å; W299-W334 HydrophobicContact CZ3-CH2 3.97Å; W299-W334 HydrophobicContact CZ3-CZ2 4.45Å; W299-W334 HydrophobicContact CZ3-CZ3 4.07Å; W299-C335 HydrophobicContact CZ2-CB 4.26Å; W299-Y336 HydrophobicContact CE3-CD2 4.02Å; W299-Y336 HydrophobicContact CE3-CE2 4.13Å; W299-Y336 AromaticContact CZ3-CD2 3.75Å; W299-Y336 HydrophobicContact CZ3-CD2 3.75Å; W299-Y336 AromaticContact CZ3-CE2 3.7Å; W299-Y336 HydrophobicContact CZ3-CE2 3.7Å
300	A	93.6	Very high	89.9	Confident	61 Å²	61	49.5 Å²	49.5	50%	0.504	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.5	173.1	0	0	0	0	0	112.6	S298 P311	S298-A300 PolarHBondContact O-N 2.78Å; S298-A300 PolarHBondContact OG-N 2.88Å; A300-P311 HydrophobicContact CB-CG 4.45Å
301	A	93.9	Very high	89.8	Confident	31 Å²	31	51 Å²	51	26%	0.256	30%	0.298	S	S	.	.			trans	-80.8	147.1	-178.9	0	0	0	0	0	111.2	Q297 S298 H307	Q297-A301 HydrophobicContact CG-CB 4.15Å; Q297-A301 PolarHBondContact NE2-O 3.38Å; S298-A301 WeakPolarHBondContact O-CB 3.45Å; S298-A301 PolarHBondContact O-N 2.85Å; A301-H307 PolarHBondContact O-NE2 3.33Å; A301-H307 VanDerWaalsContact O-NE2 3.14Å
302	Q	93.1	Very high	89.7	Confident	68 Å²	68	52.5 Å²	52.5	32%	0.318	31%	0.306	S	S	.	.			trans	-112.5	16.1	177.3	-67.9	-64.9	-51.4	0	0	112.6	H305 K306 H307	Q302-H305 CarbonylContact C-O 3.54Å; Q302-H305 CarbonylContact O-C 3.59Å; Q302-K306 PolarHBondContact O-N 2.78Å; Q302-H307 PolarHBondContact NE2-O 2.79Å; Q302-H307 PolarHBondContact OE1-O 3Å; Q302-H307 VanDerWaalsContact OE1-O 3.08Å
303	T	88.8	Confident	89.7	Confident	108 Å²	108	50.4 Å²	50.4	66%	0.663	29%	0.291	S	S	*	.	S	Bend	trans	-140.7	139.8	-177.7	53	0	0	0	0	109.9	Q297 H305	Q297-T303 VanDerWaalsContact CD-O 3.29Å; Q297-T303 PolarHBondContact OE1-O 2.9Å; T303-H305 VanDerWaalsContact C-N 3.32Å
304	P	88.9	Confident	89.4	Confident	62 Å²	62	48.4 Å²	48.4	40%	0.403	27%	0.268	S	S	.	.	S	Bend	cis	-69.9	-22.5	-1.8	28.9	-36	0	0	0	113.6	Q297	Q297-P304 VanDerWaalsContact OE1-CD 3.27Å
305	H	83.4	Confident	89	Confident	16 Å²	16	48.3 Å²	48.3	7%	0.074	27%	0.273	C	S	.	.	S	Bend	trans	-102.5	117.9	-176.4	-58.3	-59	0	0	0	111.7	Q297 Q302 T303 H307 Y336 T337 D339 S340 T342 R343	Q297-H305 PolarHBondContact NE2-O 2.97Å; Q302-H305 CarbonylContact C-O 3.54Å; Q302-H305 CarbonylContact O-C 3.59Å; T303-H305 VanDerWaalsContact C-N 3.32Å; H305-H307 PolarHBondContact O-CD2 2.79Å; H305-H307 VanDerWaalsContact O-CD2 3.29Å; H305-Y336 HydrophobicContact CB-CD1 4.25Å; H305-T337 PolarHBondContact CD2-O 3.39Å; H305-T337 PolarHBondContact NE2-O 3.05Å; H305-D339 PolarHBondContact CE1-O 2.98Å; H305-D339 PolarHBondContact NE2-O 2.74Å; H305-S340 PolarHBondContact CE1-O 3.36Å; H305-T342 PolarHBondContact NE2-O 2.94Å; H305-R343 HydrophobicContact CB-CG 4.36Å; H305-R343 PolarHBondContact CD2-O 3.42Å; H305-R343 VanDerWaalsContact CD2-O 3.24Å; H305-R343 WeakPolarHBondContact NE2-CA 3.45Å
306	K	84.3	Confident	88.4	Confident	162 Å²	162	45.8 Å²	45.8	70%	0.704	26%	0.258	S	S	*	.			trans	-70.1	132.6	168.4	-165.3	-179.9	-177.7	174.3	0	110.1	Q302 R343	Q302-K306 PolarHBondContact O-N 2.78Å; K306-R343 PolarHBondContact O-NH1 2.77Å; K306-R343 PolarHBondContact O-NH2 2.84Å
307	H	81.2	Confident	87.8	Confident	14 Å²	14	48.2 Å²	48.2	7%	0.065	27%	0.268	C	S	.	.			trans	-152.5	159	-179.2	63.1	82.7	0	0	0	113.6	Q297 W299 A301 Q302 H305 R309 Y336	Q297-H307 PolarHBondContact NE2-CD2 3.22Å; Q297-H307 PolarHBondContact NE2-NE2 3.01Å; W299-H307 PolarHBondContact O-CE1 3.22Å; A301-H307 PolarHBondContact O-NE2 3.33Å; A301-H307 VanDerWaalsContact O-NE2 3.14Å; Q302-H307 PolarHBondContact NE2-O 2.79Å; Q302-H307 PolarHBondContact OE1-O 3Å; Q302-H307 VanDerWaalsContact OE1-O 3.08Å; H305-H307 PolarHBondContact O-CD2 2.79Å; H305-H307 VanDerWaalsContact O-CD2 3.29Å; H307-R309 PolarHBondContact CE1-O 2.92Å; H307-R309 PolarHBondContact ND1-N 2.96Å; H307-R309 PolarHBondContact ND1-O 2.95Å; H307-Y336 HydrophobicContact CB-CD2 4.32Å; H307-Y336 HydrophobicContact CB-CE1 3.87Å; H307-Y336 HydrophobicContact CB-CE2 3.57Å; H307-Y336 WeakPolarHBondContact CB-OH 3.43Å; H307-Y336 AromaticContact CD2-CD2 3.36Å; H307-Y336 WeakPolarHBondContact CD2-CD2 3.3Å; H307-Y336 AromaticContact CD2-CE2 3.47Å; H307-Y336 VanDerWaalsContact CD2-CE2 3.47Å; H307-Y336 WeakPolarHBondContact CD2-CE2 3.47Å; H307-Y336 AromaticContact CD2-CG 3.79Å; H307-Y336 AromaticContact CE1-CD2 3.89Å; H307-Y336 AromaticContact CE1-CE2 3.84Å; H307-Y336 AromaticContact CG-CD2 3.71Å; H307-Y336 AromaticContact CG-CE2 3.27Å; H307-Y336 AromaticContact CG-CZ 3.63Å; H307-Y336 AromaticContact ND1-CE2 3.53Å; H307-Y336 AromaticContact NE2-CD2 3.5Å; H307-Y336 WeakPolarHBondContact NE2-CD2 3.3Å; H307-Y336 AromaticContact NE2-CE2 3.83Å
308	N	82.8	Confident	87.3	Confident	62 Å²	62	48.6 Å²	48.6	33%	0.332	27%	0.273	S	S	.	.	S	Bend	trans	-92.8	-8.2	178.4	66	-5	0	0	0	113.6	T310 N313 Y314	N308-T310 VanDerWaalsContact C-N 3.26Å; N308-T310 PolarHBondContact O-N 2.02Å; N308-N313 WeakPolarHBondContact O-CB 3.17Å; N308-N313 PolarHBondContact O-ND2 3.42Å; N308-Y314 WeakPolarHBondContact O-CE2 3.31Å
309	R	85.8	Confident	87	Confident	33 Å²	33	46.7 Å²	46.7	13%	0.125	26%	0.259	C	S	.	.			trans	-80.7	70.9	178.8	-57.5	-161.7	179.7	-66.5	-1.6	112	W299 H307 Y314 D328 W334 Y336	W299-R309 HydrophobicContact CE3-CB 4.23Å; W299-R309 HydrophobicContact CZ3-CB 4.14Å; H307-R309 PolarHBondContact CE1-O 2.92Å; H307-R309 PolarHBondContact ND1-N 2.96Å; H307-R309 PolarHBondContact ND1-O 2.95Å; R309-Y314 HydrophobicContact CB-CD2 4.49Å; R309-Y314 HydrophobicContact CB-CE2 4.42Å; R309-Y314 HydrophobicContact CG-CE2 4.29Å; R309-D328 VanDerWaalsContact CZ-CG 3.5Å; R309-D328 IonicContact CZ-OD2 3.43Å; R309-D328 IonicContact NE-OD2 3.57Å; R309-D328 PolarHBondContact NE-OD2 3.06Å; R309-D328 VanDerWaalsContact NE-OD2 3.14Å; R309-D328 VanDerWaalsContact NH2-CG 3.28Å; R309-D328 IonicContact NH2-OD2 3.54Å; R309-D328 PolarHBondContact NH2-OD2 3.42Å; R309-W334 VanDerWaalsContact CD-CZ2 3.46Å; R309-Y336 HydrophobicContact CB-CE2 4.17Å
310	T	88.1	Confident	86.6	Confident	14 Å²	14	51.4 Å²	51.4	9%	0.086	28%	0.284	C	S	.	.			trans	-106.3	158.1	-179.1	77.9	0	0	0	0	110.7	N308 E312 N313 Y314	N308-T310 VanDerWaalsContact C-N 3.26Å; N308-T310 PolarHBondContact O-N 2.02Å; T310-E312 WeakPolarHBondContact CB-OE2 3.37Å; T310-E312 PolarHBondContact O-N 3.1Å; T310-E312 PolarHBondContact OG1-N 2.97Å; T310-E312 PolarHBondContact OG1-OE2 3.41Å; T310-N313 PolarHBondContact O-N 2.93Å; T310-N313 VanDerWaalsContact O-N 3.1Å; T310-N313 PolarHBondContact OG1-N 3.15Å; T310-Y314 PolarHBondContact O-N 2.93Å
311	P	88.7	Confident	86.5	Confident	37 Å²	37	53.5 Å²	53.5	24%	0.24	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.6	173.1	-24	34.5	0	0	0	112.4	W299 A300 Y314 P315 L319	W299-P311 HydrophobicContact CB-CG 4.4Å; W299-P311 WeakPolarHBondContact O-CD 3.25Å; A300-P311 HydrophobicContact CB-CG 4.45Å; P311-Y314 CarbonylContact O-C 3.49Å; P311-P315 WeakPolarHBondContact O-CA 3.43Å; P311-P315 VanDerWaalsContact O-N 3.15Å; P311-L319 HydrophobicContact CG-CB 4.28Å; P311-L319 WeakPolarHBondContact CG-O 3.44Å
312	E	86.3	Confident	86.6	Confident	111 Å²	111	54.1 Å²	54.1	52%	0.519	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-42.7	177.7	-58.3	70.2	-149.4	0	0	111	R261 T310	R261-E312 PolarHBondContact NH1-O 2.79Å; R261-E312 PolarHBondContact NH2-O 2.85Å; T310-E312 WeakPolarHBondContact CB-OE2 3.37Å; T310-E312 PolarHBondContact O-N 3.1Å; T310-E312 PolarHBondContact OG1-N 2.97Å; T310-E312 PolarHBondContact OG1-OE2 3.41Å
313	N	85.3	Confident	86.6	Confident	51 Å²	51	52.3 Å²	52.3	27%	0.273	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-31.4	179.8	-74.1	-21.9	0	0	0	112.8	P241 N308 T310 P315	P241-N313 HydrophobicContact CB-CB 4.06Å; N308-N313 WeakPolarHBondContact O-CB 3.17Å; N308-N313 PolarHBondContact O-ND2 3.42Å; T310-N313 PolarHBondContact O-N 2.93Å; T310-N313 VanDerWaalsContact O-N 3.1Å; T310-N313 PolarHBondContact OG1-N 3.15Å; N313-P315 VanDerWaalsContact C-CD 3.45Å; N313-P315 WeakPolarHBondContact O-CD 3.23Å
314	Y	86.2	Confident	86.9	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.027	25%	0.246	C	C	.	.			trans	-128.8	61	-174.1	-60.8	-87.3	0	0	0	112.2	G239 N308 R309 T310 P311 C316 K317	G239-Y314 WeakPolarHBondContact O-CE1 3.19Å; G239-Y314 PolarHBondContact O-OH 2.73Å; N308-Y314 WeakPolarHBondContact O-CE2 3.31Å; R309-Y314 HydrophobicContact CB-CD2 4.49Å; R309-Y314 HydrophobicContact CB-CE2 4.42Å; R309-Y314 HydrophobicContact CG-CE2 4.29Å; T310-Y314 PolarHBondContact O-N 2.93Å; P311-Y314 CarbonylContact O-C 3.49Å; Y314-C316 PolarHBondContact O-N 3.36Å; Y314-C316 VanDerWaalsContact O-N 3.1Å; Y314-K317 HydrophobicContact CD1-CG 4.23Å; Y314-K317 HydrophobicContact CG-CG 4.42Å; Y314-K317 PolarHBondContact O-N 2.86Å; Y314-K317 VanDerWaalsContact O-N 3.1Å
315	P	83.9	Confident	87	Confident	55 Å²	55	44.5 Å²	44.5	36%	0.357	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.7	-169	27.1	-36.5	0	0	0	113.3	P311 N313	P311-P315 WeakPolarHBondContact O-CA 3.43Å; P311-P315 VanDerWaalsContact O-N 3.15Å; N313-P315 VanDerWaalsContact C-CD 3.45Å; N313-P315 WeakPolarHBondContact O-CD 3.23Å
316	C	81.7	Confident	87.2	Confident	20 Å²	20	44 Å²	44	14%	0.135	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-1.6	-179.3	-59.4	0	0	0	0	114.5	C188 I269 Y314 G318	C188-C316 WeakPolarHBondContact CA-SG 3.26Å; C188-C316 HydrophobicContact CB-CB 3.65Å; C188-C316 WeakPolarHBondContact CB-SG 3.44Å; C188-C316 WeakPolarHBondContact SG-CB 3.25Å; C188-C316 CovalentContact SG-SG 2.01Å; C188-C316 PolarHBondContact SG-SG 3.26Å; I269-C316 HydrophobicContact CD1-CB 3.79Å; Y314-C316 PolarHBondContact O-N 3.36Å; Y314-C316 VanDerWaalsContact O-N 3.1Å; C316-G318 VanDerWaalsContact C-N 3.29Å
317	K	84.4	Confident	87.1	Confident	53 Å²	53	36.5 Å²	36.5	23%	0.23	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	1.9	178.4	-56	-66.5	-175.3	175.6	0	112.6	E191 Y314 L319 P327	E191-K317 IonicContact OE1-NZ 3.79Å; E191-K317 PolarHBondContact OE1-NZ 3.24Å; E191-K317 IonicContact OE2-NZ 2.75Å; Y314-K317 HydrophobicContact CD1-CG 4.23Å; Y314-K317 HydrophobicContact CG-CG 4.42Å; Y314-K317 PolarHBondContact O-N 2.86Å; Y314-K317 VanDerWaalsContact O-N 3.1Å; K317-L319 HydrophobicContact CB-CD2 4.31Å; K317-L319 HydrophobicContact CB-CG 4.14Å; K317-L319 PolarHBondContact O-N 3.16Å; K317-P327 HydrophobicContact CB-CB 3.8Å; K317-P327 HydrophobicContact CD-CB 4.38Å; K317-P327 WeakPolarHBondContact CD-O 3.48Å; K317-P327 WeakPolarHBondContact CE-O 3.48Å; K317-P327 HydrophobicContact CG-CB 3.87Å; K317-P327 PolarHBondContact NZ-O 3.22Å
318	G	84.8	Confident	86.6	Confident	11 Å²	11	38.1 Å²	38.1	11%	0.113	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	36.3	175.2	0	0	0	0	0	113.6	C316 N320 R325	C316-G318 VanDerWaalsContact C-N 3.29Å; G318-N320 PolarHBondContact O-N 3.4Å; G318-R325 WeakPolarHBondContact O-CD 3.44Å; G318-R325 PolarHBondContact O-NE 3.17Å
319	L	89.3	Confident	85.9	Confident	4 Å²	4	40 Å²	40	2%	0.021	21%	0.213	C	C	.	.			trans	-72.1	55.9	-177.1	-61.4	-173.7	0	0	0	112.7	W299 P311 K317 R325 P327	W299-L319 HydrophobicContact CB-CB 3.89Å; W299-L319 HydrophobicContact CD2-CB 4.32Å; W299-L319 HydrophobicContact CD2-CD1 4.49Å; W299-L319 HydrophobicContact CD2-CD2 3.89Å; W299-L319 HydrophobicContact CD2-CG 4.46Å; W299-L319 HydrophobicContact CE3-CD1 4.35Å; W299-L319 HydrophobicContact CE3-CD2 4.19Å; W299-L319 HydrophobicContact CG-CB 3.82Å; W299-L319 HydrophobicContact CG-CD2 4.25Å; W299-L319 HydrophobicContact CG-CG 4.45Å; W299-L319 HydrophobicContact CZ2-CD2 4.27Å; W299-L319 HydrophobicContact CZ3-CD2 4.5Å; P311-L319 HydrophobicContact CG-CB 4.28Å; P311-L319 WeakPolarHBondContact CG-O 3.44Å; K317-L319 HydrophobicContact CB-CD2 4.31Å; K317-L319 HydrophobicContact CB-CG 4.14Å; K317-L319 PolarHBondContact O-N 3.16Å; L319-R325 HydrophobicContact CD2-CB 3.73Å; L319-R325 HydrophobicContact CD2-CG 3.93Å; L319-P327 HydrophobicContact CD2-CB 4.04Å; L319-P327 HydrophobicContact CD2-CG 4.15Å
320	N	85.4	Confident	85.1	Confident	99 Å²	99	39.3 Å²	39.3	53%	0.529	21%	0.211	S	C	.	.			trans	-84.9	133.1	-175.2	-58.7	-18.3	0	0	0	110.3	G318 N322 H323	G318-N320 PolarHBondContact O-N 3.4Å; N320-N322 PolarHBondContact O-N 2.94Å; N320-H323 PolarHBondContact O-N 2.02Å; N320-H323 PolarHBondContact O-ND1 3.19Å
321	N	91.1	Very high	84	Confident	105 Å²	105	42.4 Å²	42.4	56%	0.561	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	-128.3	-179.8	-59.5	-30	0	0	0	112.1	S298 W299	S298-N321 CarbonylContact C-O 3.55Å; S298-N321 WeakPolarHBondContact CA-O 3.43Å; S298-N321 PolarHBondContact OG-O 2.99Å; W299-N321 PolarHBondContact N-O 2.79Å
322	N	94.3	Very high	83.6	Confident	44 Å²	44	44.1 Å²	44.1	24%	0.235	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	20.7	176	66.4	-24	0	0	0	111.9	A288 C296 Q297 N320	A288-N322 WeakPolarHBondContact CB-OD1 3.43Å; C296-N322 HydrophobicContact CB-CB 3.87Å; C296-N322 WeakPolarHBondContact CB-O 3.48Å; C296-N322 VanDerWaalsContact O-CB 3.28Å; C296-N322 WeakPolarHBondContact O-CB 3.46Å; C296-N322 PolarHBondContact O-ND2 2.92Å; Q297-N322 WeakPolarHBondContact O-CB 3.17Å; N320-N322 PolarHBondContact O-N 2.94Å
323	H	94.8	Very high	83.7	Confident	31 Å²	31	38.8 Å²	38.8	14%	0.144	20%	0.198	C	C	.	.			trans	-67.9	143.7	-179.7	-52	146.4	0	0	0	110.6	T286 I287 W299 N320 R325	T286-H323 PolarHBondContact O-CD2 3.48Å; T286-H323 VanDerWaalsContact O-CD2 3.27Å; I287-H323 CarbonylContact O-C 3.49Å; I287-H323 WeakPolarHBondContact O-CA 3.08Å; W299-H323 PolarHBondContact NE1-O 3.22Å; N320-H323 PolarHBondContact O-N 2.02Å; N320-H323 PolarHBondContact O-ND1 3.19Å; H323-R325 PolarHBondContact O-N 2.84Å
324	C	93.6	Very high	84	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.			trans	-60	132.2	176.9	-58.1	0	0	0	0	110.8	Y283 I287 P333 W334 C347	Y283-C324 VanDerWaalsContact CD1-O 3.31Å; Y283-C324 WeakPolarHBondContact CD1-O 3Å; Y283-C324 HydrophobicContact CE1-CB 4.35Å; Y283-C324 WeakPolarHBondContact CE1-O 3.32Å; I287-C324 PolarHBondContact O-N 3.31Å; I287-C324 PolarHBondContact O-SG 2.93Å; C324-P333 HydrophobicContact CB-CB 4.09Å; C324-W334 WeakPolarHBondContact CA-O 3Å; C324-C347 HydrophobicContact CB-CB 3.53Å; C324-C347 WeakPolarHBondContact CB-SG 3.09Å; C324-C347 WeakPolarHBondContact SG-CB 3.08Å; C324-C347 CovalentContact SG-SG 2.02Å; C324-C347 PolarHBondContact SG-SG 3.11Å
325	R	92.6	Very high	84.3	Confident	5 Å²	5	36.4 Å²	36.4	2%	0.019	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-141.1	161.4	-178.6	-68.7	-66	178.4	-95.6	6.3	109.7	R284 G285 W299 G318 L319 H323 P327 P333 W334	R284-R325 PolarHBondContact O-NH2 3.36Å; R284-R325 VanDerWaalsContact O-NH2 3.1Å; G285-R325 PolarHBondContact O-NH1 3.25Å; G285-R325 PolarHBondContact O-NH2 2.81Å; W299-R325 HydrophobicContact CZ2-CB 3.9Å; W299-R325 HydrophobicContact CZ2-CG 4.48Å; G318-R325 WeakPolarHBondContact O-CD 3.44Å; G318-R325 PolarHBondContact O-NE 3.17Å; L319-R325 HydrophobicContact CD2-CB 3.73Å; L319-R325 HydrophobicContact CD2-CG 3.93Å; H323-R325 PolarHBondContact O-N 2.84Å; R325-P327 VanDerWaalsContact C-CD 3.44Å; R325-P327 WeakPolarHBondContact O-CD 3.05Å; R325-P333 WeakPolarHBondContact O-CA 3.46Å; R325-W334 PolarHBondContact N-O 3.37Å; R325-W334 PolarHBondContact O-N 2.04Å
326	N	86.4	Confident	84.6	Confident	7 Å²	7	34.4 Å²	34.4	4%	0.037	17%	0.171	C	C	.	.			trans	-122.3	75.4	172.3	-173.1	-1.5	0	0	0	109.7	E279 D328 N329 E330	E279-N326 PolarHBondContact O-ND2 2.92Å; N326-D328 VanDerWaalsContact C-N 3.28Å; N326-D328 PolarHBondContact O-N 2.97Å; N326-D328 PolarHBondContact OD1-OD1 3.26Å; N326-N329 PolarHBondContact OD1-N 3.31Å; N326-E330 PolarHBondContact ND2-O 2.81Å; N326-E330 WeakPolarHBondContact OD1-CB 3.44Å; N326-E330 PolarHBondContact OD1-N 3.41Å
327	P	82.8	Confident	85.1	Confident	4 Å²	4	33.5 Å²	33.5	3%	0.026	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.8	-175.2	29.2	-34.8	0	0	0	114.3	K317 L319 R325 W334	K317-P327 HydrophobicContact CB-CB 3.8Å; K317-P327 HydrophobicContact CD-CB 4.38Å; K317-P327 WeakPolarHBondContact CD-O 3.48Å; K317-P327 WeakPolarHBondContact CE-O 3.48Å; K317-P327 HydrophobicContact CG-CB 3.87Å; K317-P327 PolarHBondContact NZ-O 3.22Å; L319-P327 HydrophobicContact CD2-CB 4.04Å; L319-P327 HydrophobicContact CD2-CG 4.15Å; R325-P327 VanDerWaalsContact C-CD 3.44Å; R325-P327 WeakPolarHBondContact O-CD 3.05Å; P327-W334 HydrophobicContact CG-CZ2 4.31Å
328	D	69.5	Low	85.5	Confident	48 Å²	48	34.6 Å²	34.6	26%	0.257	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	15.9	-163.2	51.9	-19.1	0	0	0	114.7	R309 N326 E330 W334	R309-D328 VanDerWaalsContact CZ-CG 3.5Å; R309-D328 IonicContact CZ-OD2 3.43Å; R309-D328 IonicContact NE-OD2 3.57Å; R309-D328 PolarHBondContact NE-OD2 3.06Å; R309-D328 VanDerWaalsContact NE-OD2 3.14Å; R309-D328 VanDerWaalsContact NH2-CG 3.28Å; R309-D328 IonicContact NH2-OD2 3.54Å; R309-D328 PolarHBondContact NH2-OD2 3.42Å; N326-D328 VanDerWaalsContact C-N 3.28Å; N326-D328 PolarHBondContact O-N 2.97Å; N326-D328 PolarHBondContact OD1-OD1 3.26Å; D328-E330 PolarHBondContact O-N 2.73Å; D328-W334 PolarHBondContact OD1-NE1 2.82Å; D328-W334 WeakPolarHBondContact OD2-CZ2 3.28Å
329	N	70	Confident	85.7	Confident	101 Å²	101	36.6 Å²	36.6	54%	0.54	18%	0.184	S	C	.	.			trans	55.8	39.6	-176.4	-170.5	38.2	0	0	0	112	Q281 N326	Q281-N329 PolarHBondContact NE2-OD1 2.87Å; N326-N329 PolarHBondContact OD1-N 3.31Å
330	E	67.7	Low	85.6	Confident	18 Å²	18	40.2 Å²	40.2	8%	0.084	21%	0.21	C	C	.	.			trans	-70.3	173.5	168.1	-162.4	51.7	-90.6	0	0	109.7	E279 N326 D328 R332 Y346 I731	E279-E330 WeakPolarHBondContact CB-O 3.44Å; N326-E330 PolarHBondContact ND2-O 2.81Å; N326-E330 WeakPolarHBondContact OD1-CB 3.44Å; N326-E330 PolarHBondContact OD1-N 3.41Å; D328-E330 PolarHBondContact O-N 2.73Å; E330-R332 VanDerWaalsContact C-N 3.33Å; E330-R332 PolarHBondContact O-N 3.42Å; E330-Y346 HydrophobicContact CG-CE1 3.73Å; E330-Y346 WeakPolarHBondContact CG-OH 3.45Å; E330-Y346 PolarHBondContact OE1-OH 2.96Å; E330-I731 WeakPolarHBondContact OE2-CD1 3.3Å
331	R	65.6	Low	85.4	Confident	79 Å²	79	43.5 Å²	43.5	30%	0.298	22%	0.222	S	C	.	.	S	Bend	trans	-64.5	-36.1	-174.2	-64.3	177.5	174.6	170.1	3	114.4	E279 Y346 N730 D732	E279-R331 WeakPolarHBondContact CA-O 3.41Å; E279-R331 VanDerWaalsContact OE2-C 3.28Å; E279-R331 WeakPolarHBondContact OE2-CA 3.39Å; R331-Y346 HydrophobicContact CB-CE1 4.27Å; R331-N730 PolarHBondContact NH2-ND2 3.11Å; R331-N730 PolarHBondContact NH2-OD1 2.75Å; R331-D732 IonicContact CZ-OD2 2.61Å; R331-D732 IonicContact NE-OD2 3.65Å; R331-D732 PolarHBondContact NE-OD2 2.93Å; R331-D732 VanDerWaalsContact NE-OD2 3.09Å; R331-D732 IonicContact NH1-OD2 3.96Å; R331-D732 PolarHBondContact NH1-OD2 2.86Å; R331-D732 IonicContact NH2-OD2 2.77Å; R331-D732 PolarHBondContact NH2-OD2 3.21Å
332	R	79.3	Confident	84.8	Confident	73 Å²	73	40 Å²	40	28%	0.275	20%	0.204	S	C	.	.	S	Bend	trans	-149.3	161.9	-175.3	-70.1	-174.8	-68.5	161.6	11.2	109.6	E279 E291 E330 W334 Y346	E279-R332 WeakPolarHBondContact O-CA 3.42Å; E291-R332 VanDerWaalsContact CD-NH2 3.27Å; E291-R332 IonicContact OE1-CZ 2.73Å; E291-R332 IonicContact OE1-NH1 3.19Å; E291-R332 PolarHBondContact OE1-NH1 2.8Å; E291-R332 IonicContact OE1-NH2 3.89Å; E291-R332 PolarHBondContact OE1-NH2 3.23Å; E291-R332 IonicContact OE2-CZ 2.8Å; E291-R332 IonicContact OE2-NH2 2.77Å; E291-R332 PolarHBondContact OE2-NH2 2.92Å; E330-R332 VanDerWaalsContact C-N 3.33Å; E330-R332 PolarHBondContact O-N 3.42Å; R332-W334 PolarHBondContact O-N 2.81Å; R332-Y346 HydrophobicContact CB-CD1 3.76Å; R332-Y346 HydrophobicContact CB-CE1 4.08Å; R332-Y346 WeakPolarHBondContact O-CE1 3.29Å
333	P	88.7	Confident	84.1	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.			trans	-53.8	134.9	169.7	-25.1	35.5	0	0	0	111.4	I276 Y283 C324 R325 C347 V349	I276-P333 HydrophobicContact CG2-CG 3.66Å; Y283-P333 HydrophobicContact CD1-CB 3.97Å; Y283-P333 HydrophobicContact CD1-CG 3.88Å; Y283-P333 HydrophobicContact CE1-CB 4.45Å; Y283-P333 HydrophobicContact CG-CG 4.17Å; C324-P333 HydrophobicContact CB-CB 4.09Å; R325-P333 WeakPolarHBondContact O-CA 3.46Å; P333-C347 PolarHBondContact O-N 3.08Å; P333-V349 HydrophobicContact CB-CG2 3.9Å; P333-V349 HydrophobicContact CG-CB 4.48Å; P333-V349 HydrophobicContact CG-CG2 4.01Å
334	W	91.4	Very high	83.6	Confident	7 Å²	7	42.6 Å²	42.6	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	173.1	-176.9	66	-92.9	0	0	0	110.1	W299 R309 C324 R325 P327 D328 R332 Y336 W344 E345 Y346	W299-W334 HydrophobicContact CH2-CD2 4.32Å; W299-W334 HydrophobicContact CH2-CE3 4.08Å; W299-W334 HydrophobicContact CH2-CH2 4.08Å; W299-W334 HydrophobicContact CH2-CZ2 4.31Å; W299-W334 AromaticContact CH2-CZ3 3.94Å; W299-W334 HydrophobicContact CH2-CZ3 3.94Å; W299-W334 WeakPolarHBondContact CZ2-O 3.39Å; W299-W334 AromaticContact CZ3-CH2 3.97Å; W299-W334 HydrophobicContact CZ3-CH2 3.97Å; W299-W334 HydrophobicContact CZ3-CZ2 4.45Å; W299-W334 HydrophobicContact CZ3-CZ3 4.07Å; R309-W334 VanDerWaalsContact CD-CZ2 3.46Å; C324-W334 WeakPolarHBondContact CA-O 3Å; R325-W334 PolarHBondContact N-O 3.37Å; R325-W334 PolarHBondContact O-N 2.04Å; P327-W334 HydrophobicContact CG-CZ2 4.31Å; D328-W334 PolarHBondContact OD1-NE1 2.82Å; D328-W334 WeakPolarHBondContact OD2-CZ2 3.28Å; R332-W334 PolarHBondContact O-N 2.81Å; W334-Y336 HydrophobicContact CH2-CD2 4.38Å; W334-Y336 HydrophobicContact CH2-CE1 4.28Å; W334-Y336 AromaticContact CH2-CE2 3.72Å; W334-Y336 HydrophobicContact CH2-CE2 3.72Å; W334-Y336 AromaticContact CH2-CZ 3.64Å; W334-Y336 HydrophobicContact CZ3-CD1 4.27Å; W334-Y336 AromaticContact CZ3-CD2 3.97Å; W334-Y336 HydrophobicContact CZ3-CD2 3.97Å; W334-Y336 HydrophobicContact CZ3-CE1 4.04Å; W334-Y336 AromaticContact CZ3-CE2 3.76Å; W334-Y336 HydrophobicContact CZ3-CE2 3.76Å; W334-Y336 HydrophobicContact CZ3-CG 4.21Å; W334-Y336 AromaticContact CZ3-CZ 3.77Å; W334-W344 HydrophobicContact CB-CE3 3.97Å; W334-W344 HydrophobicContact CB-CZ3 4.04Å; W334-W344 AromaticContact CD2-CE3 3.92Å; W334-W344 HydrophobicContact CD2-CE3 3.92Å; W334-W344 HydrophobicContact CD2-CZ3 4.38Å; W334-W344 HydrophobicContact CE3-CB 3.82Å; W334-W344 HydrophobicContact CE3-CD2 4.1Å; W334-W344 AromaticContact CE3-CE3 3.73Å; W334-W344 HydrophobicContact CE3-CE3 3.73Å; W334-W344 HydrophobicContact CE3-CG 4.17Å; W334-W344 HydrophobicContact CG-CE3 4.05Å; W334-W344 HydrophobicContact CG-CZ3 4.15Å; W334-W344 HydrophobicContact CZ3-CB 3.75Å; W334-W344 HydrophobicContact CZ3-CD2 4.42Å; W334-W344 HydrophobicContact CZ3-CE3 4.48Å; W334-W344 HydrophobicContact CZ3-CG 4.14Å; W334-E345 WeakPolarHBondContact CA-O 3.02Å; W334-E345 VanDerWaalsContact CB-O 3.31Å; W334-E345 WeakPolarHBondContact CB-O 2.99Å; W334-Y346 HydrophobicContact CB-CD1 3.94Å; W334-Y346 HydrophobicContact CB-CE1 4.41Å
335	C	93.1	Very high	83.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.4	171.5	67.4	0	0	0	0	111.8	T290 C296 W299 W344 E345	T290-C335 VanDerWaalsContact CG2-SG 3.53Å; C296-C335 VanDerWaalsContact CA-SG 3.52Å; C296-C335 HydrophobicContact CB-CB 3.55Å; C296-C335 WeakPolarHBondContact CB-SG 3.38Å; C296-C335 WeakPolarHBondContact SG-CB 3.32Å; C296-C335 CovalentContact SG-SG 2.02Å; C296-C335 PolarHBondContact SG-SG 3.49Å; W299-C335 HydrophobicContact CZ2-CB 4.26Å; C335-W344 CarbonylContact O-C 3.57Å; C335-W344 VanDerWaalsContact O-CA 3.26Å; C335-W344 WeakPolarHBondContact O-CA 3.42Å; C335-W344 WeakPolarHBondContact O-CB 3.36Å; C335-E345 PolarHBondContact N-O 3.36Å; C335-E345 PolarHBondContact O-N 3Å
336	Y	90.9	Very high	82.9	Confident	14 Å²	14	45 Å²	45	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	149.9	161.2	-66.6	-75.3	0	0	0	109.1	C296 Q297 W299 H305 H307 R309 W334 R343 W344	C296-Y336 CarbonylContact C-O 3.5Å; C296-Y336 VanDerWaalsContact CA-O 3.29Å; C296-Y336 WeakPolarHBondContact CA-O 3.43Å; Q297-Y336 PolarHBondContact N-O 3.32Å; W299-Y336 HydrophobicContact CE3-CD2 4.02Å; W299-Y336 HydrophobicContact CE3-CE2 4.13Å; W299-Y336 AromaticContact CZ3-CD2 3.75Å; W299-Y336 HydrophobicContact CZ3-CD2 3.75Å; W299-Y336 AromaticContact CZ3-CE2 3.7Å; W299-Y336 HydrophobicContact CZ3-CE2 3.7Å; H305-Y336 HydrophobicContact CB-CD1 4.25Å; H307-Y336 HydrophobicContact CB-CD2 4.32Å; H307-Y336 HydrophobicContact CB-CE1 3.87Å; H307-Y336 HydrophobicContact CB-CE2 3.57Å; H307-Y336 WeakPolarHBondContact CB-OH 3.43Å; H307-Y336 AromaticContact CD2-CD2 3.36Å; H307-Y336 WeakPolarHBondContact CD2-CD2 3.3Å; H307-Y336 AromaticContact CD2-CE2 3.47Å; H307-Y336 VanDerWaalsContact CD2-CE2 3.47Å; H307-Y336 WeakPolarHBondContact CD2-CE2 3.47Å; H307-Y336 AromaticContact CD2-CG 3.79Å; H307-Y336 AromaticContact CE1-CD2 3.89Å; H307-Y336 AromaticContact CE1-CE2 3.84Å; H307-Y336 AromaticContact CG-CD2 3.71Å; H307-Y336 AromaticContact CG-CE2 3.27Å; H307-Y336 AromaticContact CG-CZ 3.63Å; H307-Y336 AromaticContact ND1-CE2 3.53Å; H307-Y336 AromaticContact NE2-CD2 3.5Å; H307-Y336 WeakPolarHBondContact NE2-CD2 3.3Å; H307-Y336 AromaticContact NE2-CE2 3.83Å; R309-Y336 HydrophobicContact CB-CE2 4.17Å; W334-Y336 HydrophobicContact CH2-CD2 4.38Å; W334-Y336 HydrophobicContact CH2-CE1 4.28Å; W334-Y336 AromaticContact CH2-CE2 3.72Å; W334-Y336 HydrophobicContact CH2-CE2 3.72Å; W334-Y336 AromaticContact CH2-CZ 3.64Å; W334-Y336 HydrophobicContact CZ3-CD1 4.27Å; W334-Y336 AromaticContact CZ3-CD2 3.97Å; W334-Y336 HydrophobicContact CZ3-CD2 3.97Å; W334-Y336 HydrophobicContact CZ3-CE1 4.04Å; W334-Y336 AromaticContact CZ3-CE2 3.76Å; W334-Y336 HydrophobicContact CZ3-CE2 3.76Å; W334-Y336 HydrophobicContact CZ3-CG 4.21Å; W334-Y336 AromaticContact CZ3-CZ 3.77Å; Y336-R343 WeakPolarHBondContact CA-O 3.41Å; Y336-R343 HydrophobicContact CD1-CG 4.31Å; Y336-R343 WeakPolarHBondContact CD1-O 3.28Å; Y336-R343 HydrophobicContact CE1-CG 4.41Å; Y336-W344 HydrophobicContact CD1-CB 3.97Å; Y336-W344 HydrophobicContact CE1-CB 4.32Å
337	T	90.6	Very high	83	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-105.4	157.8	-178.6	94.7	0	0	0	0	111.8	T290 K294 T295 H305 D339 T342 R343 E345	T290-T337 HydrophobicContact CG2-CG2 4.1Å; K294-T337 HydrophobicContact CB-CG2 4.43Å; K294-T337 HydrophobicContact CD-CG2 4.4Å; T295-T337 WeakPolarHBondContact O-CA 3.38Å; H305-T337 PolarHBondContact CD2-O 3.39Å; H305-T337 PolarHBondContact NE2-O 3.05Å; T337-D339 PolarHBondContact O-N 3.06Å; T337-D339 WeakPolarHBondContact OG1-CB 3.39Å; T337-D339 PolarHBondContact OG1-N 3.21Å; T337-D339 VanDerWaalsContact OG1-N 3.08Å; T337-D339 PolarHBondContact OG1-O 3.37Å; T337-T342 WeakPolarHBondContact CB-O 3.29Å; T337-T342 HydrophobicContact CG2-CG2 3.82Å; T337-T342 WeakPolarHBondContact CG2-O 3.01Å; T337-T342 PolarHBondContact OG1-O 2.73Å; T337-R343 PolarHBondContact N-O 3.07Å; T337-E345 HydrophobicContact CG2-CB 4.1Å
338	T	93.2	Very high	83.3	Confident	77 Å²	77	48.1 Å²	48.1	47%	0.472	24%	0.242	S	C	.	.	S	Bend	trans	-78.2	-4.2	171.8	57.6	0	0	0	0	113.3	T295 Q297	T295-T338 HydrophobicContact CG2-CG2 4.28Å; T295-T338 PolarHBondContact O-N 3.21Å; T295-T338 PolarHBondContact O-OG1 3.08Å; Q297-T338 HydrophobicContact CB-CG2 4.42Å
339	D	89.9	Confident	84.1	Confident	53 Å²	53	46.6 Å²	46.6	28%	0.283	24%	0.235	S	C	.	.	S	Bend	trans	-84.6	129.6	175.9	166.9	23.1	0	0	0	109.8	K294 H305 T337 E341 T342	K294-D339 HydrophobicContact CD-CB 4.11Å; H305-D339 PolarHBondContact CE1-O 2.98Å; H305-D339 PolarHBondContact NE2-O 2.74Å; T337-D339 PolarHBondContact O-N 3.06Å; T337-D339 WeakPolarHBondContact OG1-CB 3.39Å; T337-D339 PolarHBondContact OG1-N 3.21Å; T337-D339 VanDerWaalsContact OG1-N 3.08Å; T337-D339 PolarHBondContact OG1-O 3.37Å; D339-E341 VanDerWaalsContact C-N 3.28Å; D339-E341 PolarHBondContact O-N 3.16Å; D339-E341 PolarHBondContact OD1-N 3.47Å; D339-T342 PolarHBondContact O-N 2.99Å; D339-T342 VanDerWaalsContact O-O 3.08Å; D339-T342 WeakPolarHBondContact OD2-CB 3.17Å; D339-T342 PolarHBondContact OD2-N 3.41Å; D339-T342 PolarHBondContact OD2-OG1 3.39Å
340	S	86	Confident	84.7	Confident	80 Å²	80	45.4 Å²	45.4	56%	0.559	23%	0.233	S	C	*	.	S	Bend	trans	-68.1	-25.7	-178	56.6	0	0	0	0	113.6	H305	H305-S340 PolarHBondContact CE1-O 3.36Å
341	E	81.9	Confident	85.1	Confident	168 Å²	168	48.7 Å²	48.7	79%	0.785	24%	0.244	S	C	*	.	S	Bend	trans	-84.3	-30.1	-179.4	-59.4	-53.9	125.9	0	0	111.6	D339	D339-E341 VanDerWaalsContact C-N 3.28Å; D339-E341 PolarHBondContact O-N 3.16Å; D339-E341 PolarHBondContact OD1-N 3.47Å
342	T	78.4	Confident	85.6	Confident	32 Å²	32	47 Å²	47	20%	0.196	24%	0.244	C	C	.	.			trans	-102.8	98.6	179.4	-49.8	0	0	0	0	110.7	K294 H305 T337 D339 W344 E345	K294-T342 HydrophobicContact CD-CG2 4.07Å; K294-T342 WeakPolarHBondContact CE-OG1 3.37Å; K294-T342 PolarHBondContact NZ-OG1 2.92Å; K294-T342 VanDerWaalsContact NZ-OG1 3.11Å; H305-T342 PolarHBondContact NE2-O 2.94Å; T337-T342 WeakPolarHBondContact CB-O 3.29Å; T337-T342 HydrophobicContact CG2-CG2 3.82Å; T337-T342 WeakPolarHBondContact CG2-O 3.01Å; T337-T342 PolarHBondContact OG1-O 2.73Å; D339-T342 PolarHBondContact O-N 2.99Å; D339-T342 VanDerWaalsContact O-O 3.08Å; D339-T342 WeakPolarHBondContact OD2-CB 3.17Å; D339-T342 PolarHBondContact OD2-N 3.41Å; D339-T342 PolarHBondContact OD2-OG1 3.39Å; T342-W344 PolarHBondContact O-N 2.58Å; T342-E345 HydrophobicContact CG2-CB 4.36Å
343	R	79.2	Confident	85	Confident	85 Å²	85	46.4 Å²	46.4	32%	0.321	26%	0.261	S	S	.	.			trans	-57.4	-50.1	-179	-174.2	170.9	173.2	74.2	1.1	113.5	H305 K306 Y336 T337	H305-R343 HydrophobicContact CB-CG 4.36Å; H305-R343 PolarHBondContact CD2-O 3.42Å; H305-R343 VanDerWaalsContact CD2-O 3.24Å; H305-R343 WeakPolarHBondContact NE2-CA 3.45Å; K306-R343 PolarHBondContact O-NH1 2.77Å; K306-R343 PolarHBondContact O-NH2 2.84Å; Y336-R343 WeakPolarHBondContact CA-O 3.41Å; Y336-R343 HydrophobicContact CD1-CG 4.31Å; Y336-R343 WeakPolarHBondContact CD1-O 3.28Å; Y336-R343 HydrophobicContact CE1-CG 4.41Å; T337-R343 PolarHBondContact N-O 3.07Å
344	W	85.6	Confident	83	Confident	43 Å²	43	54.9 Å²	54.9	16%	0.163	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	160.5	179.4	70.5	-87.4	0	0	0	110.1	W334 C335 Y336 T342 Y346 M770	W334-W344 HydrophobicContact CB-CE3 3.97Å; W334-W344 HydrophobicContact CB-CZ3 4.04Å; W334-W344 AromaticContact CD2-CE3 3.92Å; W334-W344 HydrophobicContact CD2-CE3 3.92Å; W334-W344 HydrophobicContact CD2-CZ3 4.38Å; W334-W344 HydrophobicContact CE3-CB 3.82Å; W334-W344 HydrophobicContact CE3-CD2 4.1Å; W334-W344 AromaticContact CE3-CE3 3.73Å; W334-W344 HydrophobicContact CE3-CE3 3.73Å; W334-W344 HydrophobicContact CE3-CG 4.17Å; W334-W344 HydrophobicContact CG-CE3 4.05Å; W334-W344 HydrophobicContact CG-CZ3 4.15Å; W334-W344 HydrophobicContact CZ3-CB 3.75Å; W334-W344 HydrophobicContact CZ3-CD2 4.42Å; W334-W344 HydrophobicContact CZ3-CE3 4.48Å; W334-W344 HydrophobicContact CZ3-CG 4.14Å; C335-W344 CarbonylContact O-C 3.57Å; C335-W344 VanDerWaalsContact O-CA 3.26Å; C335-W344 WeakPolarHBondContact O-CA 3.42Å; C335-W344 WeakPolarHBondContact O-CB 3.36Å; Y336-W344 HydrophobicContact CD1-CB 3.97Å; Y336-W344 HydrophobicContact CE1-CB 4.32Å; T342-W344 PolarHBondContact O-N 2.58Å; W344-Y346 HydrophobicContact CH2-CE2 4.01Å; W344-Y346 AromaticContact CH2-CZ 4Å; W344-Y346 HydrophobicContact CZ3-CD1 4.42Å; W344-Y346 HydrophobicContact CZ3-CD2 4.24Å; W344-Y346 HydrophobicContact CZ3-CE1 4.19Å; W344-Y346 AromaticContact CZ3-CE2 3.97Å; W344-Y346 HydrophobicContact CZ3-CE2 3.97Å; W344-Y346 HydrophobicContact CZ3-CG 4.46Å; W344-Y346 AromaticContact CZ3-CZ 3.96Å; W344-M770 HydrophobicContact CZ2-SD 4.44Å
345	E	83.1	Confident	80.7	Confident	27 Å²	27	57.6 Å²	57.6	13%	0.126	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.1	179.6	-166.2	-179.3	148.6	0	0	111.5	T290 T292 K294 W334 C335 T337 T342	T290-E345 HydrophobicContact CG2-CB 3.71Å; T290-E345 HydrophobicContact CG2-CG 4.37Å; T292-E345 WeakPolarHBondContact CB-OE1 3.49Å; T292-E345 WeakPolarHBondContact CG2-OE1 3.3Å; T292-E345 PolarHBondContact N-OE1 3.19Å; T292-E345 PolarHBondContact OG1-OE1 2.97Å; T292-E345 PolarHBondContact OG1-OE2 2.69Å; K294-E345 IonicContact NZ-OE2 2.95Å; K294-E345 PolarHBondContact NZ-OE2 3.48Å; W334-E345 WeakPolarHBondContact CA-O 3.02Å; W334-E345 VanDerWaalsContact CB-O 3.31Å; W334-E345 WeakPolarHBondContact CB-O 2.99Å; C335-E345 PolarHBondContact N-O 3.36Å; C335-E345 PolarHBondContact O-N 3Å; T337-E345 HydrophobicContact CG2-CB 4.1Å; T342-E345 HydrophobicContact CG2-CB 4.36Å
346	Y	87.1	Confident	78.4	Confident	30 Å²	30	62.5 Å²	62.5	12%	0.118	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	161.7	173	-72.3	-67.4	0	0	0	112.7	T290 E291 E330 R331 R332 W334 W344 D732	T290-Y346 CarbonylContact C-O 3.52Å; T290-Y346 VanDerWaalsContact CA-O 3.23Å; T290-Y346 WeakPolarHBondContact CA-O 3.15Å; T290-Y346 VanDerWaalsContact CB-O 3.31Å; T290-Y346 WeakPolarHBondContact CB-O 3.03Å; E291-Y346 WeakPolarHBondContact CG-O 3.18Å; E291-Y346 PolarHBondContact N-O 2.64Å; E330-Y346 HydrophobicContact CG-CE1 3.73Å; E330-Y346 WeakPolarHBondContact CG-OH 3.45Å; E330-Y346 PolarHBondContact OE1-OH 2.96Å; R331-Y346 HydrophobicContact CB-CE1 4.27Å; R332-Y346 HydrophobicContact CB-CD1 3.76Å; R332-Y346 HydrophobicContact CB-CE1 4.08Å; R332-Y346 WeakPolarHBondContact O-CE1 3.29Å; W334-Y346 HydrophobicContact CB-CD1 3.94Å; W334-Y346 HydrophobicContact CB-CE1 4.41Å; W344-Y346 HydrophobicContact CH2-CE2 4.01Å; W344-Y346 AromaticContact CH2-CZ 4Å; W344-Y346 HydrophobicContact CZ3-CD1 4.42Å; W344-Y346 HydrophobicContact CZ3-CD2 4.24Å; W344-Y346 HydrophobicContact CZ3-CE1 4.19Å; W344-Y346 AromaticContact CZ3-CE2 3.97Å; W344-Y346 HydrophobicContact CZ3-CE2 3.97Å; W344-Y346 HydrophobicContact CZ3-CG 4.46Å; W344-Y346 AromaticContact CZ3-CZ 3.96Å; Y346-D732 PolarHBondContact OH-OD1 3.09Å
347	C	89.6	Confident	76.2	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.007	38%	0.379	C	S	.	.			trans	-118.9	144.4	175	-55.2	0	0	0	0	112.1	I287 C324 P333 V349	I287-C347 HydrophobicContact CG2-CB 4.48Å; C324-C347 HydrophobicContact CB-CB 3.53Å; C324-C347 WeakPolarHBondContact CB-SG 3.09Å; C324-C347 WeakPolarHBondContact SG-CB 3.08Å; C324-C347 CovalentContact SG-SG 2.02Å; C324-C347 PolarHBondContact SG-SG 3.11Å; P333-C347 PolarHBondContact O-N 3.08Å; C347-V349 HydrophobicContact CB-CG2 4.06Å; C347-V349 PolarHBondContact O-N 3.39Å
348	S	88.7	Confident	73.9	Confident	75 Å²	75	67.9 Å²	67.9	52%	0.524	39%	0.394	S	S	.	.			trans	-79.2	85	175.1	-64.1	0	0	0	0	110.5	E291	E291-S348 WeakPolarHBondContact CG-OG 3.5Å
349	V	86.3	Confident	71.4	Confident	15 Å²	15	68 Å²	68	9%	0.091	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-100	130.9	179.3	-171.6	0	0	0	0	110.9	I276 Y283 I287 P333 C347	I276-V349 HydrophobicContact CG2-CB 3.78Å; I276-V349 HydrophobicContact CG2-CG1 3.54Å; Y283-V349 HydrophobicContact CD1-CG1 4.38Å; Y283-V349 HydrophobicContact CD1-CG2 4.47Å; Y283-V349 HydrophobicContact CD2-CG1 3.57Å; Y283-V349 HydrophobicContact CE1-CG1 4.11Å; Y283-V349 HydrophobicContact CE1-CG2 4.01Å; Y283-V349 HydrophobicContact CE2-CG1 3.25Å; Y283-V349 HydrophobicContact CG-CG1 4.13Å; I287-V349 HydrophobicContact CD1-CB 4.29Å; I287-V349 HydrophobicContact CD1-CG1 4.14Å; I287-V349 HydrophobicContact CD1-CG2 4.12Å; P333-V349 HydrophobicContact CB-CG2 3.9Å; P333-V349 HydrophobicContact CG-CB 4.48Å; P333-V349 HydrophobicContact CG-CG2 4.01Å; C347-V349 HydrophobicContact CB-CG2 4.06Å; C347-V349 PolarHBondContact O-N 3.39Å
350	P	82.9	Confident	69.1	Low	77 Å²	77	71.5 Å²	71.5	50%	0.5	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65	147.6	179.8	25.5	-33.9	0	0	0	112.2	C275 I276	C275-P350 CarbonylContact C-O 3.48Å; C275-P350 WeakPolarHBondContact CA-O 3.5Å; C275-P350 WeakPolarHBondContact CB-O 3.36Å; I276-P350 PolarHBondContact N-O 3.12Å
351	R	75.4	Confident	67.1	Low	87 Å²	87	70.1 Å²	70.1	33%	0.328	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-91.2	151.8	179.3	-55.7	-148.5	166.1	159.2	1.2	112.5	I276 D357	I276-R351 HydrophobicContact CD1-CG 3.84Å; I276-R351 HydrophobicContact CG1-CB 4.16Å; I276-R351 HydrophobicContact CG1-CG 3.62Å; I276-R351 WeakPolarHBondContact O-CA 3.4Å; R351-D357 IonicContact CZ-OD1 3.75Å; R351-D357 VanDerWaalsContact CZ-OD1 3.25Å; R351-D357 VanDerWaalsContact NH1-CG 3.32Å; R351-D357 IonicContact NH1-OD1 3.14Å; R351-D357 PolarHBondContact NH1-OD1 3.04Å; R351-D357 IonicContact NH2-OD1 3.64Å; R351-D357 PolarHBondContact NH2-OD1 2.78Å; R351-D357 IonicContact NH2-OD2 2.76Å
352	C	75.8	Confident	65.2	Low	42 Å²	42	64.4 Å²	64.4	28%	0.284	39%	0.392	S	S	.	.	S	Bend	trans	-85.1	111.3	173.4	-47.4	0	0	0	0	110.5	C275 I276 T277	C275-C352 HydrophobicContact CB-CB 4.13Å; C275-C352 WeakPolarHBondContact CB-SG 3.39Å; C275-C352 PolarHBondContact O-SG 3.33Å; C275-C352 VanDerWaalsContact O-SG 3.41Å; C275-C352 VanDerWaalsContact SG-CA 3.53Å; C275-C352 WeakPolarHBondContact SG-CB 3.31Å; C275-C352 CovalentContact SG-SG 2.03Å; C275-C352 PolarHBondContact SG-SG 3.21Å; I276-C352 PolarHBondContact O-N 3.27Å; T277-C352 HydrophobicContact CG2-CB 3.85Å
353	G	66.8	Low	63.4	Low	62 Å²	62	68.7 Å²	68.7	64%	0.639	42%	0.418	S	S	*	.	S	Bend	trans	77.3	-174	174.6	0	0	0	0	0	116.1	A355	G353-A355 PolarHBondContact O-N 2.84Å
354	D	46.5	Very low	61.8	Low	178 Å²	178	66.1 Å²	66.1	95%	0.952	41%	0.412	S	S	*	.	S	Bend	trans	-84.2	35.4	-177.5	-63.1	-42.7	0	0	0	113.7
355	A	44.3	Very low	59.9	Low	63 Å²	63	68.1 Å²	68.1	52%	0.521	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-75.6	130.5	-179.9	0	0	0	0	0	111.2	G353	G353-A355 PolarHBondContact O-N 2.84Å
356	P	44	Very low	58.4	Low	104 Å²	104	75.1 Å²	75.1	68%	0.675	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-66	160.3	-179.2	24.6	-31.3	0	0	0	112.6
357	D	44.1	Very low	56.5	Low	78 Å²	78	82.5 Å²	82.5	42%	0.417	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-77.6	126.4	-168.1	-160.6	-9.9	0	0	0	114.8	R351 A359 E360	R351-D357 IonicContact CZ-OD1 3.75Å; R351-D357 VanDerWaalsContact CZ-OD1 3.25Å; R351-D357 VanDerWaalsContact NH1-CG 3.32Å; R351-D357 IonicContact NH1-OD1 3.14Å; R351-D357 PolarHBondContact NH1-OD1 3.04Å; R351-D357 IonicContact NH2-OD1 3.64Å; R351-D357 PolarHBondContact NH2-OD1 2.78Å; R351-D357 IonicContact NH2-OD2 2.76Å; D357-A359 PolarHBondContact O-N 2.79Å; D357-A359 VanDerWaalsContact O-N 3.13Å; D357-A359 VanDerWaalsContact OD1-CB 3.32Å; D357-A359 WeakPolarHBondContact OD1-CB 3.49Å; D357-A359 PolarHBondContact OD1-N 2.81Å; D357-E360 PolarHBondContact O-N 3.17Å
358	P	43.9	Very low	54.5	Low	49 Å²	49	87.9 Å²	87.9	32%	0.318	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.5	166.6	-23.3	33.1	0	0	0	113.4	E360	P358-E360 VanDerWaalsContact C-N 3.27Å; P358-E360 PolarHBondContact O-N 2.85Å
359	A	40.8	Very low	52.8	Low	78 Å²	78	89.7 Å²	89.7	65%	0.645	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-4	-179.8	0	0	0	0	0	115	D357 G361	D357-A359 PolarHBondContact O-N 2.79Å; D357-A359 VanDerWaalsContact O-N 3.13Å; D357-A359 VanDerWaalsContact OD1-CB 3.32Å; D357-A359 WeakPolarHBondContact OD1-CB 3.49Å; D357-A359 PolarHBondContact OD1-N 2.81Å; A359-G361 PolarHBondContact O-N 3.26Å; A359-G361 VanDerWaalsContact O-N 3.08Å
360	E	41.5	Very low	51.9	Low	127 Å²	127	91.7 Å²	91.7	59%	0.593	54%	0.538	S	S	*	.	S	Bend	trans	-70.2	107.9	167.5	-103.3	-176.7	168.5	0	0	109.2	D357 P358 V362 R417	D357-E360 PolarHBondContact O-N 3.17Å; P358-E360 VanDerWaalsContact C-N 3.27Å; P358-E360 PolarHBondContact O-N 2.85Å; E360-V362 PolarHBondContact O-N 2.86Å; E360-R417 PolarHBondContact O-NH2 2.96Å
361	G	43	Very low	51.5	Low	51 Å²	51	88.9 Å²	88.9	53%	0.526	52%	0.52	S	S	.	.			trans	-52.6	125.3	163.3	0	0	0	0	0	108.3	A359 V363	A359-G361 PolarHBondContact O-N 3.26Å; A359-G361 VanDerWaalsContact O-N 3.08Å; G361-V363 VanDerWaalsContact C-N 3.27Å; G361-V363 PolarHBondContact O-N 3.06Å
362	V	41.9	Very low	51.8	Low	48 Å²	48	86 Å²	86	29%	0.291	51%	0.51	S	S	.	.			trans	-72.7	96.1	170.4	179.9	0	0	0	0	104.9	E360 P364 I382	E360-V362 PolarHBondContact O-N 2.86Å; V362-P364 VanDerWaalsContact O-CD 3.28Å; V362-P364 WeakPolarHBondContact O-CD 3.43Å; V362-I382 HydrophobicContact CG1-CG2 3.61Å
363	V	42	Very low	52.1	Low	122 Å²	122	89 Å²	89	74%	0.739	52%	0.523	S	S	*	.			trans	-65	115.2	163.6	-178.6	0	0	0	0	104.7	G361	G361-V363 VanDerWaalsContact C-N 3.27Å; G361-V363 PolarHBondContact O-N 3.06Å
364	P	45.3	Very low	52.9	Low	31 Å²	31	89 Å²	89	20%	0.201	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-54.2	137.9	174	-16.2	27.7	0	0	0	107.6	V362 E366 I382 K557	V362-P364 VanDerWaalsContact O-CD 3.28Å; V362-P364 WeakPolarHBondContact O-CD 3.43Å; P364-E366 PolarHBondContact O-N 3.01Å; P364-I382 HydrophobicContact CB-CD1 4.36Å; P364-I382 HydrophobicContact CG-CD1 4.25Å; P364-K557 VanDerWaalsContact CG-O 3.28Å; P364-K557 WeakPolarHBondContact CG-O 3.28Å
365	P	45.9	Very low	54.6	Low	86 Å²	86	83 Å²	83	56%	0.558	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-51.4	130.7	172.4	20.4	-29.8	0	0	0	108.8
366	E	50.8	Low	56.5	Low	174 Å²	174	80 Å²	80	81%	0.813	47%	0.466	S	S	*	.	S	Bend	trans	-65.6	144.6	167.9	-73.6	-166.3	152	0	0	108.6	P364	P364-E366 PolarHBondContact O-N 3.01Å
367	E	47.6	Very low	58.5	Low	185 Å²	185	77.9 Å²	77.9	86%	0.864	45%	0.453	S	S	*	.	S	Bend	trans	95.6	139	-176.4	-55.1	-169.2	170	0	0	116.8
368	D	47.4	Very low	60.4	Low	114 Å²	114	78 Å²	78	61%	0.61	46%	0.46	S	S	*	.	S	Bend	trans	-47	130.3	-174.1	-76.9	-74.3	0	0	0	115.1	K570	D368-K570 IonicContact OD1-NZ 3.58Å; D368-K570 PolarHBondContact OD1-NZ 3.36Å; D368-K570 IonicContact OD2-NZ 2.9Å
369	E	53.4	Low	62.4	Low	113 Å²	113	76.2 Å²	76.2	53%	0.528	45%	0.447	S	S	.	.			trans	109.4	100.4	152.7	-57.1	-177.8	-174.5	0	0	113.2	C371	E369-C371 HydrophobicContact CB-CB 3.89Å; E369-C371 WeakPolarHBondContact CB-SG 3.12Å; E369-C371 PolarHBondContact O-N 3.03Å; E369-C371 PolarHBondContact OE2-SG 2.88Å
370	D	67.1	Low	64.4	Low	57 Å²	57	76.8 Å²	76.8	31%	0.305	43%	0.433	S	S	.	.	S	Bend	trans	-70	59.9	160.3	-155	13.7	0	0	0	108.8	Y379 T383 L445	D370-Y379 WeakPolarHBondContact OD1-CE2 3.08Å; D370-Y379 PolarHBondContact OD1-OH 3.31Å; D370-T383 PolarHBondContact OD2-OG1 3.44Å; D370-L445 WeakPolarHBondContact O-CD2 3.44Å
371	C	74.3	Confident	66.1	Low	18 Å²	18	71.1 Å²	71.1	12%	0.122	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	166.8	179.7	69.5	0	0	0	0	108.6	E369 Y379 E446 C448	E369-C371 HydrophobicContact CB-CB 3.89Å; E369-C371 WeakPolarHBondContact CB-SG 3.12Å; E369-C371 PolarHBondContact O-N 3.03Å; E369-C371 PolarHBondContact OE2-SG 2.88Å; C371-Y379 WeakPolarHBondContact O-CD2 3.34Å; C371-E446 CarbonylContact C-O 3.57Å; C371-E446 WeakPolarHBondContact CA-O 3.34Å; C371-E446 VanDerWaalsContact CB-O 3.26Å; C371-E446 WeakPolarHBondContact CB-O 3.46Å; C371-C448 HydrophobicContact CB-CB 3.96Å; C371-C448 WeakPolarHBondContact CB-SG 3.34Å; C371-C448 WeakPolarHBondContact SG-CA 3.22Å; C371-C448 WeakPolarHBondContact SG-CB 3.19Å; C371-C448 CovalentContact SG-SG 2.02Å; C371-C448 PolarHBondContact SG-SG 2.86Å
372	Y	82.1	Confident	67.6	Low	25 Å²	25	70.5 Å²	70.5	10%	0.098	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.5	177.3	72	-84	0	0	0	112.8	A428 P429 L445 E446 K447 C448	Y372-A428 HydrophobicContact CE1-CB 4.23Å; Y372-A428 HydrophobicContact CE2-CB 3.91Å; Y372-A428 WeakPolarHBondContact OH-CB 3.35Å; Y372-P429 HydrophobicContact CD1-CG 4.3Å; Y372-P429 HydrophobicContact CD2-CG 4.46Å; Y372-P429 HydrophobicContact CG-CG 4Å; Y372-L445 HydrophobicContact CD1-CB 3.95Å; Y372-L445 HydrophobicContact CE1-CB 4.34Å; Y372-L445 WeakPolarHBondContact CE1-O 2.96Å; Y372-E446 WeakPolarHBondContact CD1-O 3.22Å; Y372-E446 PolarHBondContact N-O 3.16Å; Y372-K447 HydrophobicContact CD1-CG 4.46Å; Y372-K447 HydrophobicContact CD2-CG 4.25Å; Y372-K447 HydrophobicContact CE1-CG 3.84Å; Y372-K447 HydrophobicContact CE2-CD 4.26Å; Y372-K447 HydrophobicContact CE2-CG 3.61Å; Y372-K447 WeakPolarHBondContact O-CA 3.06Å; Y372-K447 WeakPolarHBondContact OH-CE 3.41Å; Y372-K447 WeakPolarHBondContact OH-CG 3.27Å; Y372-C448 PolarHBondContact N-SG 3.46Å; Y372-C448 VanDerWaalsContact N-SG 3.45Å; Y372-C448 PolarHBondContact O-N 3.08Å; Y372-C448 VanDerWaalsContact O-N 3.15Å
373	N	81.3	Confident	69.3	Low	107 Å²	107	68.6 Å²	68.6	57%	0.572	38%	0.381	S	S	*	.	S	Bend	trans	-94.2	144.7	173.9	-75.1	-58.2	0	0	0	111	N375 G376 C448	N373-N375 PolarHBondContact O-N 3.15Å; N373-G376 PolarHBondContact O-N 2.88Å; N373-C448 WeakPolarHBondContact OD1-CB 3.39Å
374	G	84.1	Confident	71.2	Confident	61 Å²	61	63.8 Å²	63.8	63%	0.629	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-111.2	179.7	0	0	0	0	0	111.9	K447	G374-K447 WeakPolarHBondContact O-CE 3.33Å
375	N	82.3	Confident	72.8	Confident	51 Å²	51	64.6 Å²	64.6	27%	0.273	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	0.7	176.3	80.3	-17.1	0	0	0	113.7	N373 S377 N422 G425 D426 R427 A428	N373-N375 PolarHBondContact O-N 3.15Å; N375-S377 PolarHBondContact O-N 3.18Å; N375-S377 VanDerWaalsContact OD1-CB 3.29Å; N375-S377 WeakPolarHBondContact OD1-CB 3.22Å; N375-S377 PolarHBondContact OD1-N 3.1Å; N375-S377 PolarHBondContact OD1-OG 3.32Å; N375-N422 PolarHBondContact O-ND2 2.62Å; N375-G425 PolarHBondContact ND2-O 3.25Å; N375-D426 VanDerWaalsContact CB-O 3.26Å; N375-D426 WeakPolarHBondContact CB-O 3.33Å; N375-D426 PolarHBondContact ND2-O 2.83Å; N375-R427 WeakPolarHBondContact CA-O 3.18Å; N375-A428 CarbonylContact O-C 3.59Å; N375-A428 VanDerWaalsContact O-CA 3.29Å; N375-A428 WeakPolarHBondContact O-CA 3.4Å; N375-A428 PolarHBondContact O-N 2.03Å
376	G	84.6	Confident	74.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	75.7	16.1	178.3	0	0	0	0	0	115.4	N373 S378 Y379	N373-G376 PolarHBondContact O-N 2.88Å; G376-S378 PolarHBondContact O-N 2.8Å; G376-Y379 WeakPolarHBondContact O-CB 3.49Å; G376-Y379 PolarHBondContact O-N 2.62Å
377	S	85.3	Confident	75.6	Confident	60 Å²	60	54.7 Å²	54.7	42%	0.42	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33	168.8	46.6	0	0	0	0	113.4	N375 R380	N375-S377 PolarHBondContact O-N 3.18Å; N375-S377 VanDerWaalsContact OD1-CB 3.29Å; N375-S377 WeakPolarHBondContact OD1-CB 3.22Å; N375-S377 PolarHBondContact OD1-N 3.1Å; N375-S377 PolarHBondContact OD1-OG 3.32Å; S377-R380 PolarHBondContact O-NH1 3.25Å
378	S	83.9	Confident	76.5	Confident	80 Å²	80	48.2 Å²	48.2	56%	0.559	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.7	174.7	63.9	0	0	0	0	114	G376 R380	G376-S378 PolarHBondContact O-N 2.8Å; S378-R380 PolarHBondContact O-N 3.01Å
379	Y	85.2	Confident	77.6	Confident	12 Å²	12	44.7 Å²	44.7	5%	0.047	27%	0.268	C	S	.	.			trans	-65.7	127.9	-179	173.7	-97.4	0	0	0	110.1	D370 C371 G376 G381 I382 T383 C420 P429 L445	D370-Y379 WeakPolarHBondContact OD1-CE2 3.08Å; D370-Y379 PolarHBondContact OD1-OH 3.31Å; C371-Y379 WeakPolarHBondContact O-CD2 3.34Å; G376-Y379 WeakPolarHBondContact O-CB 3.49Å; G376-Y379 PolarHBondContact O-N 2.62Å; Y379-G381 VanDerWaalsContact CZ-CA 3.4Å; Y379-G381 VanDerWaalsContact OH-C 3.27Å; Y379-G381 WeakPolarHBondContact OH-CA 3.45Å; Y379-I382 PolarHBondContact OH-N 3.45Å; Y379-T383 WeakPolarHBondContact OH-CB 3.48Å; Y379-T383 PolarHBondContact OH-N 2.66Å; Y379-T383 VanDerWaalsContact OH-N 3.12Å; Y379-C420 VanDerWaalsContact CD1-O 3.29Å; Y379-C420 WeakPolarHBondContact CD1-O 3.37Å; Y379-C420 HydrophobicContact CE1-CB 4.01Å; Y379-C420 VanDerWaalsContact CE1-O 3.3Å; Y379-C420 WeakPolarHBondContact CE1-O 3.47Å; Y379-P429 HydrophobicContact CD1-CB 4.18Å; Y379-P429 HydrophobicContact CD1-CG 4.08Å; Y379-P429 HydrophobicContact CG-CG 4.06Å; Y379-L445 HydrophobicContact CD1-CD1 4.09Å; Y379-L445 HydrophobicContact CD2-CD1 4.35Å; Y379-L445 HydrophobicContact CE1-CD1 3.59Å; Y379-L445 HydrophobicContact CE2-CD1 3.88Å; Y379-L445 HydrophobicContact CE2-CD2 3.93Å; Y379-L445 HydrophobicContact CG-CD1 4.44Å; Y379-L445 VanDerWaalsContact CZ-CD1 3.47Å
380	R	84.3	Confident	78.6	Confident	91 Å²	91	41.7 Å²	41.7	34%	0.343	25%	0.253	S	S	.	.			trans	-130.1	16.2	-179.1	-63.4	-65.6	178.9	-83.4	3.9	112.4	S377 S378 S412 D414	S377-R380 PolarHBondContact O-NH1 3.25Å; S378-R380 PolarHBondContact O-N 3.01Å; R380-S412 PolarHBondContact NH2-O 3.36Å; R380-D414 VanDerWaalsContact CD-OD2 3.29Å; R380-D414 WeakPolarHBondContact CD-OD2 3.38Å; R380-D414 VanDerWaalsContact NE-CB 3.31Å
381	G	75.9	Confident	79.2	Confident	8 Å²	8	43.3 Å²	43.3	8%	0.082	26%	0.257	C	S	.	.			trans	-68.7	-175.1	177.8	0	0	0	0	0	113.4	Y379 R421	Y379-G381 VanDerWaalsContact CZ-CA 3.4Å; Y379-G381 VanDerWaalsContact OH-C 3.27Å; Y379-G381 WeakPolarHBondContact OH-CA 3.45Å; G381-R421 PolarHBondContact O-NH1 3.48Å
382	I	73.9	Confident	79.7	Confident	37 Å²	37	42.5 Å²	42.5	19%	0.19	25%	0.252	C	S	.	.			trans	-106.7	2.7	-168.2	62.4	169.6	0	0	0	113.8	V362 P364 Y379 S384 L419 R558	V362-I382 HydrophobicContact CG1-CG2 3.61Å; P364-I382 HydrophobicContact CB-CD1 4.36Å; P364-I382 HydrophobicContact CG-CD1 4.25Å; Y379-I382 PolarHBondContact OH-N 3.45Å; I382-S384 PolarHBondContact O-N 2.9Å; I382-L419 WeakPolarHBondContact O-CD2 3.21Å; I382-R558 HydrophobicContact CD1-CB 3.93Å
383	T	78.9	Confident	79.8	Confident	8 Å²	8	41.5 Å²	41.5	5%	0.049	25%	0.248	C	C	.	.			trans	-61.3	133.8	177.3	-77.1	0	0	0	0	110.3	D370 Y379 C420 C443 L445	D370-T383 PolarHBondContact OD2-OG1 3.44Å; Y379-T383 WeakPolarHBondContact OH-CB 3.48Å; Y379-T383 PolarHBondContact OH-N 2.66Å; Y379-T383 VanDerWaalsContact OH-N 3.12Å; T383-C420 VanDerWaalsContact O-CB 3.25Å; T383-C420 WeakPolarHBondContact O-CB 3.33Å; T383-C420 PolarHBondContact O-N 3.19Å; T383-C420 PolarHBondContact O-SG 2.86Å; T383-C443 HydrophobicContact CG2-CB 4.35Å; T383-L445 HydrophobicContact CG2-CD1 4.44Å; T383-L445 HydrophobicContact CG2-CD2 4Å; T383-L445 HydrophobicContact CG2-CG 3.96Å; T383-L445 WeakPolarHBondContact OG1-CD2 3.15Å
384	S	81.6	Confident	79.7	Confident	22 Å²	22	41.7 Å²	41.7	15%	0.154	24%	0.241	C	C	.	.			trans	-136.7	21.2	-179.2	60.7	0	0	0	0	111.9	I382 C392 N418	I382-S384 PolarHBondContact O-N 2.9Å; S384-C392 WeakPolarHBondContact O-CB 3.35Å; S384-C392 PolarHBondContact O-N 3.2Å; S384-C392 PolarHBondContact O-SG 2.76Å; S384-N418 WeakPolarHBondContact CB-O 3.47Å
385	Q	78.2	Confident	79.5	Confident	47 Å²	47	38.8 Å²	38.8	22%	0.22	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-120	140.1	176.8	-67.8	-177.4	14.2	0	0	110.3	K390 N444 H749	Q385-K390 WeakPolarHBondContact CA-O 3.38Å; Q385-N444 PolarHBondContact O-N 3.3Å; Q385-H749 PolarHBondContact OE1-ND1 3.21Å
386	T	80.9	Confident	79.2	Confident	1 Å²	1	40 Å²	40	1%	0.006	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-79.1	166.2	175.5	75	0	0	0	0	111.2	S388 G389 K390 T433 E441 Y442 N444	T386-S388 PolarHBondContact O-N 3.19Å; T386-S388 VanDerWaalsContact O-N 3.15Å; T386-S388 PolarHBondContact OG1-N 3.35Å; T386-S388 PolarHBondContact OG1-OG 2.89Å; T386-G389 WeakPolarHBondContact O-CA 3.11Å; T386-G389 PolarHBondContact O-N 2.71Å; T386-K390 HydrophobicContact CG2-CB 4.15Å; T386-K390 PolarHBondContact N-O 2.54Å; T386-K390 WeakPolarHBondContact OG1-CB 3.16Å; T386-K390 PolarHBondContact OG1-N 2.86Å; T386-T433 HydrophobicContact CG2-CG2 4.07Å; T386-E441 WeakPolarHBondContact CB-OE2 3.21Å; T386-E441 HydrophobicContact CG2-CB 3.74Å; T386-E441 PolarHBondContact OG1-OE2 3.3Å; T386-Y442 CarbonylContact C-O 3.5Å; T386-Y442 VanDerWaalsContact CA-O 3.25Å; T386-Y442 WeakPolarHBondContact CA-O 2.98Å; T386-Y442 WeakPolarHBondContact CB-O 3.43Å; T386-N444 WeakPolarHBondContact O-CB 3.45Å
387	I	74.9	Confident	78.8	Confident	52 Å²	52	41.5 Å²	41.5	27%	0.267	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.7	174	56.3	-176.9	0	0	0	114.1	G389 Y442 C443 V522 N523	I387-G389 VanDerWaalsContact C-N 3.35Å; I387-Y442 PolarHBondContact N-O 2.77Å; I387-C443 WeakPolarHBondContact CG2-O 3.35Å; I387-V522 VanDerWaalsContact CD1-C 3.48Å; I387-V522 HydrophobicContact CD1-CB 4.02Å; I387-V522 HydrophobicContact CD1-CG2 3.94Å; I387-V522 VanDerWaalsContact CD1-O 3.29Å; I387-V522 WeakPolarHBondContact CD1-O 3.46Å; I387-V522 HydrophobicContact CG1-CB 4.19Å; I387-V522 HydrophobicContact CG1-CG2 4.38Å; I387-N523 HydrophobicContact CD1-CB 4.34Å; I387-N523 WeakPolarHBondContact CD1-OD1 3.21Å
388	S	66.8	Low	78.4	Confident	49 Å²	49	42.5 Å²	42.5	34%	0.343	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	5.3	175.4	76	0	0	0	0	113.5	T386 K390 E441	T386-S388 PolarHBondContact O-N 3.19Å; T386-S388 VanDerWaalsContact O-N 3.15Å; T386-S388 PolarHBondContact OG1-N 3.35Å; T386-S388 PolarHBondContact OG1-OG 2.89Å; S388-K390 WeakPolarHBondContact OG-CG 3.26Å; S388-K390 PolarHBondContact OG-NZ 3.48Å; S388-E441 WeakPolarHBondContact CB-OE2 3.13Å; S388-E441 PolarHBondContact OG-OE1 3.07Å; S388-E441 PolarHBondContact OG-OE2 2.97Å
389	G	69.9	Low	77.6	Confident	40 Å²	40	43.6 Å²	43.6	41%	0.412	24%	0.235	S	C	.	.	S	Bend	trans	82.4	7.1	-179	0	0	0	0	0	114.8	T386 I387	T386-G389 WeakPolarHBondContact O-CA 3.11Å; T386-G389 PolarHBondContact O-N 2.71Å; I387-G389 VanDerWaalsContact C-N 3.35Å
390	K	76.2	Confident	77	Confident	49 Å²	49	45.1 Å²	45.1	21%	0.213	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70.7	147.2	176.7	-64.1	-178	-176.5	78.8	0	110.6	Q385 T386 S388 T433 D435 V438 E441	Q385-K390 WeakPolarHBondContact CA-O 3.38Å; T386-K390 HydrophobicContact CG2-CB 4.15Å; T386-K390 PolarHBondContact N-O 2.54Å; T386-K390 WeakPolarHBondContact OG1-CB 3.16Å; T386-K390 PolarHBondContact OG1-N 2.86Å; S388-K390 WeakPolarHBondContact OG-CG 3.26Å; S388-K390 PolarHBondContact OG-NZ 3.48Å; K390-T433 HydrophobicContact CD-CG2 4.27Å; K390-D435 HydrophobicContact CD-CB 3.96Å; K390-D435 VanDerWaalsContact CE-OD2 3.31Å; K390-D435 WeakPolarHBondContact CE-OD2 3.16Å; K390-V438 HydrophobicContact CD-CB 4.15Å; K390-V438 HydrophobicContact CD-CG1 4.39Å; K390-V438 HydrophobicContact CD-CG2 4.28Å; K390-E441 IonicContact NZ-OE1 2.91Å; K390-E441 PolarHBondContact NZ-OE1 2.79Å; K390-E441 IonicContact NZ-OE2 3.62Å
391	K	78.7	Confident	76.8	Confident	91 Å²	91	41.4 Å²	41.4	40%	0.396	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-75.7	140.7	173.8	-73.4	-172.9	176.6	-176.2	0	110.4	T433 T434 G678	K391-T433 WeakPolarHBondContact O-CA 3.4Å; K391-T434 HydrophobicContact CB-CG2 4.25Å; K391-T434 PolarHBondContact O-N 2.9Å; K391-T434 PolarHBondContact O-OG1 2.87Å; K391-G678 PolarHBondContact NZ-O 3.23Å; K391-G678 VanDerWaalsContact NZ-O 3.13Å
392	C	83.8	Confident	76.9	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-72.6	139.6	172	-65.4	0	0	0	0	111.3	S384 N418 C431 Y432	S384-C392 WeakPolarHBondContact O-CB 3.35Å; S384-C392 PolarHBondContact O-N 3.2Å; S384-C392 PolarHBondContact O-SG 2.76Å; C392-N418 HydrophobicContact CB-CB 3.9Å; C392-N418 WeakPolarHBondContact CB-O 3.34Å; C392-N418 WeakPolarHBondContact O-CB 3.46Å; C392-N418 PolarHBondContact O-ND2 2.96Å; C392-C431 VanDerWaalsContact CA-SG 3.52Å; C392-C431 HydrophobicContact CB-CB 3.54Å; C392-C431 WeakPolarHBondContact CB-SG 3.43Å; C392-C431 WeakPolarHBondContact SG-CB 3.42Å; C392-C431 CovalentContact SG-SG 2.02Å; C392-C431 PolarHBondContact SG-SG 3.16Å; C392-Y432 CarbonylContact C-O 3.58Å; C392-Y432 VanDerWaalsContact CA-O 3.32Å; C392-Y432 WeakPolarHBondContact CA-O 3.42Å
393	Q	85.2	Confident	77.3	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.019	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-72	147.6	165.9	177.1	-177.4	-48.5	0	0	109.8	S397 T399 P400 Q401 N418 Y432 T434	Q393-S397 PolarHBondContact NE2-O 2.81Å; Q393-T399 VanDerWaalsContact CD-O 3.29Å; Q393-T399 PolarHBondContact OE1-O 3.24Å; Q393-P400 VanDerWaalsContact OE1-CD 3.25Å; Q393-Q401 PolarHBondContact NE2-O 2.94Å; Q393-Q401 VanDerWaalsContact OE1-CB 3.22Å; Q393-N418 WeakPolarHBondContact O-CB 3.27Å; Q393-Y432 PolarHBondContact N-O 2.77Å; Q393-T434 HydrophobicContact CB-CG2 4.43Å
394	W	80.1	Confident	77.5	Confident	110 Å²	110	51.6 Å²	51.6	42%	0.417	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-66.2	136.5	173.7	-75	52.2	0	0	0	111.5	S396 S397 R417 N418	W394-S396 PolarHBondContact O-N 2.97Å; W394-S397 WeakPolarHBondContact O-CB 3.47Å; W394-S397 PolarHBondContact O-N 3.5Å; W394-R417 CarbonylContact C-O 3.6Å; W394-R417 VanDerWaalsContact CA-O 3.26Å; W394-R417 WeakPolarHBondContact CA-O 3.31Å; W394-R417 HydrophobicContact CH2-CG 4.3Å; W394-R417 HydrophobicContact CZ3-CG 4.37Å; W394-N418 HydrophobicContact CG-CB 4.18Å
395	W	78.7	Confident	77.7	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.1	179.1	-62.6	106.8	0	0	0	114	H403 K405 L415 R417 L419 R421 P423 W430 C431 Y432	W395-H403 PolarHBondContact O-CE1 3.41Å; W395-K405 HydrophobicContact CE3-CB 4.2Å; W395-K405 HydrophobicContact CZ3-CB 4.08Å; W395-L415 HydrophobicContact CB-CB 3.84Å; W395-L415 HydrophobicContact CD2-CB 4.28Å; W395-L415 HydrophobicContact CD2-CD1 4.36Å; W395-L415 HydrophobicContact CD2-CD2 3.95Å; W395-L415 HydrophobicContact CD2-CG 4.42Å; W395-L415 HydrophobicContact CE3-CD1 4.21Å; W395-L415 HydrophobicContact CE3-CD2 4.29Å; W395-L415 HydrophobicContact CG-CB 3.78Å; W395-L415 HydrophobicContact CG-CD2 4.31Å; W395-L415 HydrophobicContact CG-CG 4.43Å; W395-L415 HydrophobicContact CZ2-CD2 4.31Å; W395-R417 VanDerWaalsContact CD1-O 3.23Å; W395-R417 PolarHBondContact N-O 3.13Å; W395-L419 PolarHBondContact NE1-O 3.48Å; W395-R421 HydrophobicContact CZ2-CB 3.9Å; W395-R421 HydrophobicContact CZ2-CG 4.49Å; W395-P423 HydrophobicContact CH2-CG 4.44Å; W395-P423 HydrophobicContact CZ3-CG 4.44Å; W395-W430 HydrophobicContact CH2-CE3 4.28Å; W395-W430 HydrophobicContact CH2-CH2 4.16Å; W395-W430 HydrophobicContact CH2-CZ3 4.05Å; W395-W430 HydrophobicContact CZ3-CH2 4.05Å; W395-W430 HydrophobicContact CZ3-CZ3 4.16Å; W395-C431 HydrophobicContact CZ2-CB 4.25Å; W395-Y432 HydrophobicContact CE3-CD2 4.19Å; W395-Y432 HydrophobicContact CE3-CE2 4.39Å; W395-Y432 AromaticContact CZ3-CD2 3.8Å; W395-Y432 HydrophobicContact CZ3-CD2 3.8Å; W395-Y432 AromaticContact CZ3-CE2 3.87Å; W395-Y432 HydrophobicContact CZ3-CE2 3.87Å
396	S	75.6	Confident	77.8	Confident	76 Å²	76	50.6 Å²	50.6	53%	0.531	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-16.1	172	55.5	0	0	0	0	113.1	W394	W394-S396 PolarHBondContact O-N 2.97Å
397	S	77.1	Confident	77.6	Confident	33 Å²	33	52.5 Å²	52.5	23%	0.231	28%	0.278	C	S	.	.			trans	-78.3	143.6	179.3	-175.4	0	0	0	0	110.7	Q393 W394 T399 H403	Q393-S397 PolarHBondContact NE2-O 2.81Å; W394-S397 WeakPolarHBondContact O-CB 3.47Å; W394-S397 PolarHBondContact O-N 3.5Å; S397-T399 PolarHBondContact OG-N 3.01Å; S397-T399 PolarHBondContact OG-O 3.23Å; S397-H403 PolarHBondContact O-NE2 3.06Å
398	Q	77.4	Confident	77.7	Confident	80 Å²	80	57 Å²	57	37%	0.374	30%	0.298	S	S	.	.			trans	-106.9	12.1	172.3	-66	-63.6	-42.7	0	0	112.5	R402 H403	Q398-R402 VanDerWaalsContact OE1-CG 3.23Å; Q398-H403 PolarHBondContact NE2-O 3.2Å; Q398-H403 PolarHBondContact OE1-O 3.36Å
399	T	65.8	Low	78.2	Confident	103 Å²	103	58 Å²	58	63%	0.632	31%	0.305	S	S	*	.	S	Bend	trans	-138.3	140.2	-179.4	-177.6	0	0	0	0	111.1	Q393 S397	Q393-T399 VanDerWaalsContact CD-O 3.29Å; Q393-T399 PolarHBondContact OE1-O 3.24Å; S397-T399 PolarHBondContact OG-N 3.01Å; S397-T399 PolarHBondContact OG-O 3.23Å
400	P	73.8	Confident	78.7	Confident	44 Å²	44	58.6 Å²	58.6	29%	0.286	30%	0.296	S	S	.	.	S	Bend	cis	-73.8	-22.3	-3.2	29.6	-34.3	0	0	0	113.9	Q393 T434 P436	Q393-P400 VanDerWaalsContact OE1-CD 3.25Å; P400-T434 WeakPolarHBondContact CG-O 3.34Å; P400-P436 HydrophobicContact CB-CB 4.18Å
401	Q	80.5	Confident	78.8	Confident	13 Å²	13	61.4 Å²	61.4	6%	0.061	32%	0.32	C	S	.	.	S	Bend	trans	-95.9	108.3	-176.2	-54.2	-63.2	-21.2	0	0	110.8	Q393 H403 Y432 D435 P436 R439	Q393-Q401 PolarHBondContact NE2-O 2.94Å; Q393-Q401 VanDerWaalsContact OE1-CB 3.22Å; Q401-H403 PolarHBondContact O-CD2 3.33Å; Q401-H403 VanDerWaalsContact O-CD2 3.27Å; Q401-Y432 HydrophobicContact CB-CD1 3.99Å; Q401-Y432 HydrophobicContact CB-CG 4.36Å; Q401-D435 PolarHBondContact NE2-O 3.17Å; Q401-D435 VanDerWaalsContact NE2-O 3.1Å; Q401-P436 PolarHBondContact NE2-O 3.19Å; Q401-R439 VanDerWaalsContact OE1-NH1 3.11Å
402	R	76.9	Confident	78.8	Confident	181 Å²	181	62.1 Å²	62.1	68%	0.683	34%	0.336	S	S	*	.			trans	-69.9	134.9	171.3	-165.4	-178.6	-178.9	-172.9	0.5	110.6	Q398 R439	Q398-R402 VanDerWaalsContact OE1-CG 3.23Å; R402-R439 PolarHBondContact O-NH1 3.5Å; R402-R439 PolarHBondContact O-NH2 3.45Å
403	H	82	Confident	78.6	Confident	11 Å²	11	62.6 Å²	62.6	5%	0.051	34%	0.34	C	S	.	.			trans	-158.2	164.8	-176.5	65.4	75	0	0	0	114.7	W395 S397 Q398 Q401 K405 Y432	W395-H403 PolarHBondContact O-CE1 3.41Å; S397-H403 PolarHBondContact O-NE2 3.06Å; Q398-H403 PolarHBondContact NE2-O 3.2Å; Q398-H403 PolarHBondContact OE1-O 3.36Å; Q401-H403 PolarHBondContact O-CD2 3.33Å; Q401-H403 VanDerWaalsContact O-CD2 3.27Å; H403-K405 PolarHBondContact CE1-O 3.42Å; H403-K405 PolarHBondContact ND1-N 3.29Å; H403-K405 PolarHBondContact ND1-O 2.89Å; H403-Y432 HydrophobicContact CB-CD2 4.31Å; H403-Y432 HydrophobicContact CB-CE1 4Å; H403-Y432 HydrophobicContact CB-CE2 3.57Å; H403-Y432 WeakPolarHBondContact CB-OH 3.26Å; H403-Y432 AromaticContact CD2-CD2 3.33Å; H403-Y432 WeakPolarHBondContact CD2-CD2 3.45Å; H403-Y432 AromaticContact CD2-CE2 3.45Å; H403-Y432 VanDerWaalsContact CD2-CE2 3.45Å; H403-Y432 WeakPolarHBondContact CD2-CE2 3.33Å; H403-Y432 AromaticContact CD2-CG 3.85Å; H403-Y432 AromaticContact CG-CD2 3.8Å; H403-Y432 AromaticContact CG-CE2 3.37Å; H403-Y432 AromaticContact CG-CZ 3.79Å; H403-Y432 AromaticContact ND1-CE2 3.85Å; H403-Y432 AromaticContact NE2-CD2 3.64Å; H403-Y432 AromaticContact NE2-CE2 3.95Å
404	N	84.4	Confident	78.5	Confident	75 Å²	75	64.3 Å²	64.3	40%	0.401	35%	0.35	S	S	.	.	S	Bend	trans	-101.5	-0.7	177.5	69	-6.6	0	0	0	114.5	T406 S409	N404-T406 VanDerWaalsContact C-N 3.29Å; N404-T406 PolarHBondContact O-N 2.75Å; N404-S409 WeakPolarHBondContact O-CB 3.46Å; N404-S409 PolarHBondContact O-OG 2.94Å
405	K	84.6	Confident	78.6	Confident	30 Å²	30	59.5 Å²	59.5	13%	0.13	33%	0.332	C	S	.	.			trans	-82.4	69.8	176	-57.9	-55.8	-169.5	177.3	0	111.3	W395 H403 F410 L415 P423 W430 Y432	W395-K405 HydrophobicContact CE3-CB 4.2Å; W395-K405 HydrophobicContact CZ3-CB 4.08Å; H403-K405 PolarHBondContact CE1-O 3.42Å; H403-K405 PolarHBondContact ND1-N 3.29Å; H403-K405 PolarHBondContact ND1-O 2.89Å; K405-F410 HydrophobicContact CB-CD2 4.47Å; K405-F410 HydrophobicContact CD-CD2 3.83Å; K405-F410 HydrophobicContact CD-CE1 4.15Å; K405-F410 HydrophobicContact CD-CE2 3.29Å; K405-F410 HydrophobicContact CD-CZ 3.5Å; K405-F410 HydrophobicContact CG-CE2 4.48Å; K405-L415 HydrophobicContact CB-CD1 4.4Å; K405-L415 WeakPolarHBondContact O-CD1 3.35Å; K405-P423 HydrophobicContact CB-CG 4.5Å; K405-P423 HydrophobicContact CD-CG 4.31Å; K405-P423 HydrophobicContact CG-CG 4.41Å; K405-W430 HydrophobicContact CG-CH2 4.27Å; K405-Y432 HydrophobicContact CB-CE2 4.15Å; K405-Y432 HydrophobicContact CG-CE2 4.3Å
406	T	79.8	Confident	78.4	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.11	35%	0.351	C	S	.	.			trans	-103	159.9	-179.7	76.4	0	0	0	0	111.4	N404 E408 S409 F410	N404-T406 VanDerWaalsContact C-N 3.29Å; N404-T406 PolarHBondContact O-N 2.75Å; T406-E408 WeakPolarHBondContact CB-OE2 3.46Å; T406-E408 PolarHBondContact O-N 3.21Å; T406-E408 PolarHBondContact OG1-OE2 2.04Å; T406-S409 PolarHBondContact O-N 2.92Å; T406-S409 PolarHBondContact OG1-N 2.95Å; T406-S409 PolarHBondContact OG1-OG 3.04Å; T406-S409 VanDerWaalsContact OG1-OG 3.09Å; T406-F410 PolarHBondContact O-N 3.08Å
407	P	77.9	Confident	78.5	Confident	42 Å²	42	63.9 Å²	63.9	27%	0.273	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.2	176.1	-23.8	33.4	0	0	0	113.1	F410 P411 L415	P407-F410 CarbonylContact O-C 3.52Å; P407-P411 WeakPolarHBondContact O-CA 3.36Å; P407-L415 HydrophobicContact CG-CB 4.28Å; P407-L415 WeakPolarHBondContact CG-O 3.21Å
408	E	77.2	Confident	78.6	Confident	145 Å²	145	63.6 Å²	63.6	68%	0.678	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-35.8	178.9	-53.6	72.6	-153.7	0	0	111.6	T406	T406-E408 WeakPolarHBondContact CB-OE2 3.46Å; T406-E408 PolarHBondContact O-N 3.21Å; T406-E408 PolarHBondContact OG1-OE2 2.04Å
409	S	75.5	Confident	79	Confident	70 Å²	70	60.4 Å²	60.4	49%	0.49	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-25.6	-178.8	-55.7	0	0	0	0	112.7	N404 T406	N404-S409 WeakPolarHBondContact O-CB 3.46Å; N404-S409 PolarHBondContact O-OG 2.94Å; T406-S409 PolarHBondContact O-N 2.92Å; T406-S409 PolarHBondContact OG1-N 2.95Å; T406-S409 PolarHBondContact OG1-OG 3.04Å; T406-S409 VanDerWaalsContact OG1-OG 3.09Å
410	F	81.5	Confident	80.1	Confident	53 Å²	53	55.5 Å²	55.5	23%	0.232	29%	0.29	C	S	.	.			trans	-132.7	65.4	-177.8	-65.4	-93.7	0	0	0	111.4	K405 T406 P407 S412 A413 L415 P423	K405-F410 HydrophobicContact CB-CD2 4.47Å; K405-F410 HydrophobicContact CD-CD2 3.83Å; K405-F410 HydrophobicContact CD-CE1 4.15Å; K405-F410 HydrophobicContact CD-CE2 3.29Å; K405-F410 HydrophobicContact CD-CZ 3.5Å; K405-F410 HydrophobicContact CG-CE2 4.48Å; T406-F410 PolarHBondContact O-N 3.08Å; P407-F410 CarbonylContact O-C 3.52Å; F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 3.35Å; F410-A413 HydrophobicContact CB-CB 3.94Å; F410-A413 PolarHBondContact O-N 3.11Å; F410-A413 VanDerWaalsContact O-N 3.11Å; F410-L415 HydrophobicContact CB-CD1 3.84Å; F410-L415 HydrophobicContact CB-CG 4.44Å; F410-L415 HydrophobicContact CG-CD1 4.45Å; F410-P423 HydrophobicContact CB-CB 4.41Å; F410-P423 HydrophobicContact CD1-CB 4.03Å; F410-P423 HydrophobicContact CG-CB 4.18Å
411	P	79.3	Confident	81.1	Confident	109 Å²	109	53.5 Å²	53.5	71%	0.708	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-64.9	-27.3	-171.1	24.9	-34.9	0	0	0	113.8	P407	P407-P411 WeakPolarHBondContact O-CA 3.36Å
412	S	78.4	Confident	81.6	Confident	105 Å²	105	53.3 Å²	53.3	73%	0.734	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-83.6	-10.6	178.7	55.8	0	0	0	0	114.4	R380 F410	R380-S412 PolarHBondContact NH2-O 3.36Å; F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 3.35Å
413	A	79.8	Confident	82.3	Confident	13 Å²	13	45.6 Å²	45.6	11%	0.107	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-87.2	-2.4	-175.2	0	0	0	0	0	114	F410 L415 P423	F410-A413 HydrophobicContact CB-CB 3.94Å; F410-A413 PolarHBondContact O-N 3.11Å; F410-A413 VanDerWaalsContact O-N 3.11Å; A413-L415 HydrophobicContact CB-CD2 3.94Å; A413-L415 HydrophobicContact CB-CG 3.97Å; A413-L415 PolarHBondContact O-N 3.37Å; A413-P423 HydrophobicContact CB-CB 3.81Å
414	D	82.4	Confident	82.5	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.214	26%	0.262	C	S	.	.			trans	52	50.3	-179	-173.3	55.1	0	0	0	112.5	R380 K416 R421	R380-D414 VanDerWaalsContact CD-OD2 3.29Å; R380-D414 WeakPolarHBondContact CD-OD2 3.38Å; R380-D414 VanDerWaalsContact NE-CB 3.31Å; D414-K416 PolarHBondContact O-N 3.08Å; D414-K416 WeakPolarHBondContact OD1-CD 3.37Å; D414-K416 WeakPolarHBondContact OD1-CE 3.47Å; D414-K416 WeakPolarHBondContact OD1-CG 3.24Å; D414-K416 IonicContact OD1-NZ 3.92Å; D414-R421 PolarHBondContact O-NE 3.11Å; D414-R421 IonicContact OD2-CZ 3.14Å; D414-R421 IonicContact OD2-NE 2.65Å; D414-R421 PolarHBondContact OD2-NE 3.42Å; D414-R421 IonicContact OD2-NH2 2.73Å; D414-R421 PolarHBondContact OD2-NH2 2.78Å
415	L	81.2	Confident	82.5	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.042	27%	0.265	C	S	.	.			trans	-74.7	62.6	-178.6	-61.2	-170.2	0	0	0	111.9	W395 K405 P407 F410 A413 R421 P423	W395-L415 HydrophobicContact CB-CB 3.84Å; W395-L415 HydrophobicContact CD2-CB 4.28Å; W395-L415 HydrophobicContact CD2-CD1 4.36Å; W395-L415 HydrophobicContact CD2-CD2 3.95Å; W395-L415 HydrophobicContact CD2-CG 4.42Å; W395-L415 HydrophobicContact CE3-CD1 4.21Å; W395-L415 HydrophobicContact CE3-CD2 4.29Å; W395-L415 HydrophobicContact CG-CB 3.78Å; W395-L415 HydrophobicContact CG-CD2 4.31Å; W395-L415 HydrophobicContact CG-CG 4.43Å; W395-L415 HydrophobicContact CZ2-CD2 4.31Å; K405-L415 HydrophobicContact CB-CD1 4.4Å; K405-L415 WeakPolarHBondContact O-CD1 3.35Å; P407-L415 HydrophobicContact CG-CB 4.28Å; P407-L415 WeakPolarHBondContact CG-O 3.21Å; F410-L415 HydrophobicContact CB-CD1 3.84Å; F410-L415 HydrophobicContact CB-CG 4.44Å; F410-L415 HydrophobicContact CG-CD1 4.45Å; A413-L415 HydrophobicContact CB-CD2 3.94Å; A413-L415 HydrophobicContact CB-CG 3.97Å; A413-L415 PolarHBondContact O-N 3.37Å; L415-R421 HydrophobicContact CD2-CB 3.64Å; L415-R421 HydrophobicContact CD2-CG 3.87Å; L415-P423 HydrophobicContact CD1-CB 4.33Å; L415-P423 HydrophobicContact CD2-CB 4.08Å; L415-P423 HydrophobicContact CD2-CG 4.12Å
416	K	75.3	Confident	82.5	Confident	92 Å²	92	46.3 Å²	46.3	40%	0.4	27%	0.266	S	S	.	.			trans	-88.8	140.4	-179.8	-66.7	-179	178.2	178.3	0	111.5	D414 N418 L419	D414-K416 PolarHBondContact O-N 3.08Å; D414-K416 WeakPolarHBondContact OD1-CD 3.37Å; D414-K416 WeakPolarHBondContact OD1-CE 3.47Å; D414-K416 WeakPolarHBondContact OD1-CG 3.24Å; D414-K416 IonicContact OD1-NZ 3.92Å; K416-N418 PolarHBondContact O-N 2.96Å; K416-L419 PolarHBondContact O-N 2.78Å
417	R	77.4	Confident	82.5	Confident	76 Å²	76	48.6 Å²	48.6	29%	0.287	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	-131.3	176	-57	-179.9	178.1	177	-0.2	111.3	E360 W394 W395 L419	E360-R417 PolarHBondContact O-NH2 2.96Å; W394-R417 CarbonylContact C-O 3.6Å; W394-R417 VanDerWaalsContact CA-O 3.26Å; W394-R417 WeakPolarHBondContact CA-O 3.31Å; W394-R417 HydrophobicContact CH2-CG 4.3Å; W394-R417 HydrophobicContact CZ3-CG 4.37Å; W395-R417 VanDerWaalsContact CD1-O 3.23Å; W395-R417 PolarHBondContact N-O 3.13Å; R417-L419 HydrophobicContact CB-CG 4.44Å
418	N	80.1	Confident	82.7	Confident	27 Å²	27	47 Å²	47	14%	0.144	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	29.9	173.3	66.1	-25.5	0	0	0	112.5	S384 C392 Q393 W394 K416	S384-N418 WeakPolarHBondContact CB-O 3.47Å; C392-N418 HydrophobicContact CB-CB 3.9Å; C392-N418 WeakPolarHBondContact CB-O 3.34Å; C392-N418 WeakPolarHBondContact O-CB 3.46Å; C392-N418 PolarHBondContact O-ND2 2.96Å; Q393-N418 WeakPolarHBondContact O-CB 3.27Å; W394-N418 HydrophobicContact CG-CB 4.18Å; K416-N418 PolarHBondContact O-N 2.96Å
419	L	85.1	Confident	83.4	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.068	23%	0.231	C	C	.	.			trans	-75.6	145.9	-176.9	-55.9	-177.8	0	0	0	111.3	I382 W395 K416 R417 R421	I382-L419 WeakPolarHBondContact O-CD2 3.21Å; W395-L419 PolarHBondContact NE1-O 3.48Å; K416-L419 PolarHBondContact O-N 2.78Å; R417-L419 HydrophobicContact CB-CG 4.44Å; L419-R421 PolarHBondContact O-N 3.37Å
420	C	89.7	Confident	84.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.			trans	-61.3	127.5	175.8	-71.6	0	0	0	0	111.7	Y379 T383 P429 C443 L445	Y379-C420 VanDerWaalsContact CD1-O 3.29Å; Y379-C420 WeakPolarHBondContact CD1-O 3.37Å; Y379-C420 HydrophobicContact CE1-CB 4.01Å; Y379-C420 VanDerWaalsContact CE1-O 3.3Å; Y379-C420 WeakPolarHBondContact CE1-O 3.47Å; T383-C420 VanDerWaalsContact O-CB 3.25Å; T383-C420 WeakPolarHBondContact O-CB 3.33Å; T383-C420 PolarHBondContact O-N 3.19Å; T383-C420 PolarHBondContact O-SG 2.86Å; C420-P429 HydrophobicContact CB-CB 4.31Å; C420-C443 HydrophobicContact CB-CB 3.53Å; C420-C443 WeakPolarHBondContact CB-SG 3.02Å; C420-C443 WeakPolarHBondContact SG-CB 3.36Å; C420-C443 CovalentContact SG-SG 1.99Å; C420-C443 PolarHBondContact SG-SG 2.96Å; C420-L445 HydrophobicContact CB-CD1 4.08Å
421	R	93.7	Very high	84.7	Confident	3 Å²	3	34.3 Å²	34.3	1%	0.011	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-143.5	171.2	-178.1	-66.7	-64.4	-179	-97.3	9	110.1	G381 W395 D414 L415 L419 W430	G381-R421 PolarHBondContact O-NH1 3.48Å; W395-R421 HydrophobicContact CZ2-CB 3.9Å; W395-R421 HydrophobicContact CZ2-CG 4.49Å; D414-R421 PolarHBondContact O-NE 3.11Å; D414-R421 IonicContact OD2-CZ 3.14Å; D414-R421 IonicContact OD2-NE 2.65Å; D414-R421 PolarHBondContact OD2-NE 3.42Å; D414-R421 IonicContact OD2-NH2 2.73Å; D414-R421 PolarHBondContact OD2-NH2 2.78Å; L415-R421 HydrophobicContact CD2-CB 3.64Å; L415-R421 HydrophobicContact CD2-CG 3.87Å; L419-R421 PolarHBondContact O-N 3.37Å; R421-W430 PolarHBondContact N-O 2.96Å; R421-W430 VanDerWaalsContact N-O 3.17Å; R421-W430 PolarHBondContact O-N 2.87Å
422	N	92.2	Very high	85.2	Confident	9 Å²	9	29.5 Å²	29.5	5%	0.048	17%	0.165	C	C	.	.			trans	-133.7	69.6	176.1	-171.2	6.9	0	0	0	111.1	N375 D424 G425 D426	N375-N422 PolarHBondContact O-ND2 2.62Å; N422-D424 PolarHBondContact O-N 3.02Å; N422-D424 PolarHBondContact OD1-OD1 3.28Å; N422-G425 PolarHBondContact OD1-N 2.8Å; N422-G425 VanDerWaalsContact OD1-N 3.14Å; N422-D426 PolarHBondContact ND2-N 2.84Å; N422-D426 PolarHBondContact ND2-O 3.05Å; N422-D426 PolarHBondContact OD1-N 3.27Å
423	P	91.2	Very high	85.5	Confident	19 Å²	19	24.5 Å²	24.5	12%	0.123	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.2	-174	27.9	-34.6	0	0	0	114.6	W395 K405 F410 A413 L415 W430	W395-P423 HydrophobicContact CH2-CG 4.44Å; W395-P423 HydrophobicContact CZ3-CG 4.44Å; K405-P423 HydrophobicContact CB-CG 4.5Å; K405-P423 HydrophobicContact CD-CG 4.31Å; K405-P423 HydrophobicContact CG-CG 4.41Å; F410-P423 HydrophobicContact CB-CB 4.41Å; F410-P423 HydrophobicContact CD1-CB 4.03Å; F410-P423 HydrophobicContact CG-CB 4.18Å; A413-P423 HydrophobicContact CB-CB 3.81Å; L415-P423 HydrophobicContact CD1-CB 4.33Å; L415-P423 HydrophobicContact CD2-CB 4.08Å; L415-P423 HydrophobicContact CD2-CG 4.12Å; P423-W430 HydrophobicContact CG-CZ2 4.08Å
424	D	86.7	Confident	85.5	Confident	58 Å²	58	26 Å²	26	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	12.8	-175.4	56.1	4.8	0	0	0	114	R87 N422 D426 W430	R87-D424 IonicContact CZ-OD1 3.55Å; R87-D424 IonicContact CZ-OD2 2.92Å; R87-D424 IonicContact NE-OD1 2.66Å; R87-D424 IonicContact NE-OD2 2.61Å; R87-D424 PolarHBondContact NE-OD2 3.37Å; R87-D424 IonicContact NH2-OD1 3.99Å; R87-D424 PolarHBondContact NH2-OD1 3.5Å; R87-D424 IonicContact NH2-OD2 3.82Å; R87-D424 PolarHBondContact NH2-OD2 3.47Å; N422-D424 PolarHBondContact O-N 3.02Å; N422-D424 PolarHBondContact OD1-OD1 3.28Å; D424-D426 VanDerWaalsContact C-N 3.32Å; D424-D426 PolarHBondContact O-N 3.3Å; D424-W430 PolarHBondContact OD1-NE1 3.04Å; D424-W430 WeakPolarHBondContact OD2-CZ2 3.19Å
425	G	84.1	Confident	85.3	Confident	45 Å²	45	25.5 Å²	25.5	46%	0.464	14%	0.135	S	C	.	.			trans	69.8	25.9	170.6	0	0	0	0	0	114.5	N375 N422	N375-G425 PolarHBondContact ND2-O 3.25Å; N422-G425 PolarHBondContact OD1-N 2.8Å; N422-G425 VanDerWaalsContact OD1-N 3.14Å
426	D	84.3	Confident	84.9	Confident	27 Å²	27	27.3 Å²	27.3	14%	0.144	15%	0.147	C	C	.	.			trans	-59.2	176	170.9	-150.7	-54.4	0	0	0	111.3	R87 N375 N422 D424 A428 Y442	R87-D426 IonicContact CZ-OD2 3.25Å; R87-D426 IonicContact NH1-OD2 2.7Å; R87-D426 PolarHBondContact NH1-OD2 3.25Å; R87-D426 IonicContact NH2-OD2 2.7Å; R87-D426 PolarHBondContact NH2-OD2 3.3Å; N375-D426 VanDerWaalsContact CB-O 3.26Å; N375-D426 WeakPolarHBondContact CB-O 3.33Å; N375-D426 PolarHBondContact ND2-O 2.83Å; N422-D426 PolarHBondContact ND2-N 2.84Å; N422-D426 PolarHBondContact ND2-O 3.05Å; N422-D426 PolarHBondContact OD1-N 3.27Å; D424-D426 VanDerWaalsContact C-N 3.32Å; D424-D426 PolarHBondContact O-N 3.3Å; D426-A428 VanDerWaalsContact C-N 3.28Å; D426-A428 PolarHBondContact O-N 3.29Å; D426-Y442 VanDerWaalsContact CG-OH 3.26Å; D426-Y442 PolarHBondContact OD1-OH 3.38Å; D426-Y442 PolarHBondContact OD2-OH 3.25Å
427	R	79.1	Confident	85.1	Confident	66 Å²	66	24.9 Å²	24.9	25%	0.249	15%	0.145	C	C	.	.	S	Bend	trans	-67.6	-20.4	-177.2	72.6	-169.3	177.6	138.1	0	115.1	N375 Y442 Y538	N375-R427 WeakPolarHBondContact CA-O 3.18Å; R427-Y442 HydrophobicContact CG-CE1 3.86Å; R427-Y442 WeakPolarHBondContact CG-OH 3.36Å; R427-Y442 VanDerWaalsContact NE-CZ 3.27Å; R427-Y442 PolarHBondContact NE-OH 3.41Å; R427-Y538 VanDerWaalsContact CZ-CD2 3.5Å; R427-Y538 VanDerWaalsContact NH2-CE2 3.32Å
428	A	83.3	Confident	85.1	Confident	9 Å²	9	22 Å²	22	7%	0.074	14%	0.135	C	C	.	.	S	Bend	trans	-157.5	160.9	-177.7	0	0	0	0	0	110.9	Y372 N375 D426 Y442	Y372-A428 HydrophobicContact CE1-CB 4.23Å; Y372-A428 HydrophobicContact CE2-CB 3.91Å; Y372-A428 WeakPolarHBondContact OH-CB 3.35Å; N375-A428 CarbonylContact O-C 3.59Å; N375-A428 VanDerWaalsContact O-CA 3.29Å; N375-A428 WeakPolarHBondContact O-CA 3.4Å; N375-A428 PolarHBondContact O-N 2.03Å; D426-A428 VanDerWaalsContact C-N 3.28Å; D426-A428 PolarHBondContact O-N 3.29Å; A428-Y442 HydrophobicContact CB-CD1 3.71Å; A428-Y442 HydrophobicContact CB-CE1 4.01Å
429	P	90.8	Very high	85.3	Confident	1 Å²	1	21 Å²	21	1%	0.006	13%	0.129	C	C	.	.			trans	-59.4	142.5	172.3	-20.8	32.4	0	0	0	112.7	Y372 Y379 C420 C443 L445	Y372-P429 HydrophobicContact CD1-CG 4.3Å; Y372-P429 HydrophobicContact CD2-CG 4.46Å; Y372-P429 HydrophobicContact CG-CG 4Å; Y379-P429 HydrophobicContact CD1-CB 4.18Å; Y379-P429 HydrophobicContact CD1-CG 4.08Å; Y379-P429 HydrophobicContact CG-CG 4.06Å; C420-P429 HydrophobicContact CB-CB 4.31Å; P429-C443 PolarHBondContact O-N 3.22Å; P429-L445 HydrophobicContact CB-CD1 3.87Å; P429-L445 HydrophobicContact CG-CD1 3.98Å
430	W	92.1	Very high	85.5	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	172.3	-176.1	65.1	-90.8	0	0	0	110.8	R87 W395 K405 R421 P423 D424 Y432 W440 E441 Y442 C443	R87-W430 VanDerWaalsContact NE-CZ2 3.3Å; W395-W430 HydrophobicContact CH2-CE3 4.28Å; W395-W430 HydrophobicContact CH2-CH2 4.16Å; W395-W430 HydrophobicContact CH2-CZ3 4.05Å; W395-W430 HydrophobicContact CZ3-CH2 4.05Å; W395-W430 HydrophobicContact CZ3-CZ3 4.16Å; K405-W430 HydrophobicContact CG-CH2 4.27Å; R421-W430 PolarHBondContact N-O 2.96Å; R421-W430 VanDerWaalsContact N-O 3.17Å; R421-W430 PolarHBondContact O-N 2.87Å; P423-W430 HydrophobicContact CG-CZ2 4.08Å; D424-W430 PolarHBondContact OD1-NE1 3.04Å; D424-W430 WeakPolarHBondContact OD2-CZ2 3.19Å; W430-Y432 HydrophobicContact CH2-CD2 4.38Å; W430-Y432 AromaticContact CH2-CE2 3.72Å; W430-Y432 HydrophobicContact CH2-CE2 3.72Å; W430-Y432 AromaticContact CH2-CZ 3.79Å; W430-Y432 HydrophobicContact CZ3-CD1 4.38Å; W430-Y432 AromaticContact CZ3-CD2 3.93Å; W430-Y432 HydrophobicContact CZ3-CD2 3.93Å; W430-Y432 HydrophobicContact CZ3-CE1 4.17Å; W430-Y432 AromaticContact CZ3-CE2 3.7Å; W430-Y432 HydrophobicContact CZ3-CE2 3.7Å; W430-Y432 HydrophobicContact CZ3-CG 4.25Å; W430-Y432 AromaticContact CZ3-CZ 3.81Å; W430-W440 HydrophobicContact CB-CE3 3.88Å; W430-W440 HydrophobicContact CB-CZ3 3.96Å; W430-W440 HydrophobicContact CD2-CE3 4.06Å; W430-W440 HydrophobicContact CE3-CB 4.07Å; W430-W440 HydrophobicContact CE3-CD2 4.45Å; W430-W440 AromaticContact CE3-CE3 3.93Å; W430-W440 HydrophobicContact CE3-CE3 3.93Å; W430-W440 HydrophobicContact CG-CE3 4.06Å; W430-W440 HydrophobicContact CG-CZ3 4.17Å; W430-W440 HydrophobicContact CZ3-CB 4.21Å; W430-E441 WeakPolarHBondContact CA-O 3.35Å; W430-E441 WeakPolarHBondContact CB-O 2.86Å; W430-Y442 HydrophobicContact CB-CD1 4.01Å; W430-C443 VanDerWaalsContact C-SG 3.59Å
431	C	92.8	Very high	85.2	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.5	171.6	67.2	0	0	0	0	111.4	C392 W395 W440 E441	C392-C431 VanDerWaalsContact CA-SG 3.52Å; C392-C431 HydrophobicContact CB-CB 3.54Å; C392-C431 WeakPolarHBondContact CB-SG 3.43Å; C392-C431 WeakPolarHBondContact SG-CB 3.42Å; C392-C431 CovalentContact SG-SG 2.02Å; C392-C431 PolarHBondContact SG-SG 3.16Å; W395-C431 HydrophobicContact CZ2-CB 4.25Å; C431-W440 VanDerWaalsContact O-CA 3.29Å; C431-W440 WeakPolarHBondContact O-CA 2.93Å; C431-W440 WeakPolarHBondContact O-CB 3.2Å; C431-E441 PolarHBondContact N-O 3.18Å; C431-E441 VanDerWaalsContact N-O 3.13Å; C431-E441 PolarHBondContact O-N 3.05Å; C431-E441 VanDerWaalsContact O-N 3.16Å
432	Y	89.7	Confident	84.8	Confident	8 Å²	8	21.9 Å²	21.9	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.9	162.3	-68.1	-76.1	0	0	0	109	C392 Q393 W395 Q401 H403 K405 W430 R439 W440	C392-Y432 CarbonylContact C-O 3.58Å; C392-Y432 VanDerWaalsContact CA-O 3.32Å; C392-Y432 WeakPolarHBondContact CA-O 3.42Å; Q393-Y432 PolarHBondContact N-O 2.77Å; W395-Y432 HydrophobicContact CE3-CD2 4.19Å; W395-Y432 HydrophobicContact CE3-CE2 4.39Å; W395-Y432 AromaticContact CZ3-CD2 3.8Å; W395-Y432 HydrophobicContact CZ3-CD2 3.8Å; W395-Y432 AromaticContact CZ3-CE2 3.87Å; W395-Y432 HydrophobicContact CZ3-CE2 3.87Å; Q401-Y432 HydrophobicContact CB-CD1 3.99Å; Q401-Y432 HydrophobicContact CB-CG 4.36Å; H403-Y432 HydrophobicContact CB-CD2 4.31Å; H403-Y432 HydrophobicContact CB-CE1 4Å; H403-Y432 HydrophobicContact CB-CE2 3.57Å; H403-Y432 WeakPolarHBondContact CB-OH 3.26Å; H403-Y432 AromaticContact CD2-CD2 3.33Å; H403-Y432 WeakPolarHBondContact CD2-CD2 3.45Å; H403-Y432 AromaticContact CD2-CE2 3.45Å; H403-Y432 VanDerWaalsContact CD2-CE2 3.45Å; H403-Y432 WeakPolarHBondContact CD2-CE2 3.33Å; H403-Y432 AromaticContact CD2-CG 3.85Å; H403-Y432 AromaticContact CG-CD2 3.8Å; H403-Y432 AromaticContact CG-CE2 3.37Å; H403-Y432 AromaticContact CG-CZ 3.79Å; H403-Y432 AromaticContact ND1-CE2 3.85Å; H403-Y432 AromaticContact NE2-CD2 3.64Å; H403-Y432 AromaticContact NE2-CE2 3.95Å; K405-Y432 HydrophobicContact CB-CE2 4.15Å; K405-Y432 HydrophobicContact CG-CE2 4.3Å; W430-Y432 HydrophobicContact CH2-CD2 4.38Å; W430-Y432 AromaticContact CH2-CE2 3.72Å; W430-Y432 HydrophobicContact CH2-CE2 3.72Å; W430-Y432 AromaticContact CH2-CZ 3.79Å; W430-Y432 HydrophobicContact CZ3-CD1 4.38Å; W430-Y432 AromaticContact CZ3-CD2 3.93Å; W430-Y432 HydrophobicContact CZ3-CD2 3.93Å; W430-Y432 HydrophobicContact CZ3-CE1 4.17Å; W430-Y432 AromaticContact CZ3-CE2 3.7Å; W430-Y432 HydrophobicContact CZ3-CE2 3.7Å; W430-Y432 HydrophobicContact CZ3-CG 4.25Å; W430-Y432 AromaticContact CZ3-CZ 3.81Å; Y432-R439 WeakPolarHBondContact CA-O 3.45Å; Y432-R439 HydrophobicContact CD1-CG 4.14Å; Y432-R439 WeakPolarHBondContact CD1-O 3.39Å; Y432-R439 HydrophobicContact CE1-CG 4.18Å; Y432-W440 HydrophobicContact CD1-CB 4.28Å
433	T	84.7	Confident	84.5	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-96	156.8	-179.7	96.6	0	0	0	0	111.3	T386 K390 K391 D435 V438 R439 E441	T386-T433 HydrophobicContact CG2-CG2 4.07Å; K390-T433 HydrophobicContact CD-CG2 4.27Å; K391-T433 WeakPolarHBondContact O-CA 3.4Å; T433-D435 PolarHBondContact O-N 3.12Å; T433-D435 WeakPolarHBondContact OG1-CB 3.25Å; T433-D435 PolarHBondContact OG1-N 3.27Å; T433-D435 PolarHBondContact OG1-O 3.5Å; T433-V438 HydrophobicContact CG2-CB 4.39Å; T433-V438 HydrophobicContact CG2-CG1 3.97Å; T433-V438 WeakPolarHBondContact CG2-O 3.36Å; T433-V438 PolarHBondContact OG1-O 2.67Å; T433-R439 PolarHBondContact N-O 2.91Å; T433-E441 HydrophobicContact CG2-CB 4.31Å; T433-E441 HydrophobicContact CG2-CG 4.18Å
434	T	79.6	Confident	83.9	Confident	44 Å²	44	23.2 Å²	23.2	27%	0.27	14%	0.139	S	C	.	.	S	Bend	trans	-76.4	-4.2	170.2	57.2	0	0	0	0	113.1	K391 Q393 P400	K391-T434 HydrophobicContact CB-CG2 4.25Å; K391-T434 PolarHBondContact O-N 2.9Å; K391-T434 PolarHBondContact O-OG1 2.87Å; Q393-T434 HydrophobicContact CB-CG2 4.43Å; P400-T434 WeakPolarHBondContact CG-O 3.34Å
435	D	77.6	Confident	83.4	Confident	30 Å²	30	21.4 Å²	21.4	16%	0.16	13%	0.129	C	C	.	.			trans	-84.1	119.3	174.8	-175.6	-12.7	0	0	0	109.5	P225 K390 Q401 T433 A437 V438	P225-D435 HydrophobicContact CG-CB 4.08Å; K390-D435 HydrophobicContact CD-CB 3.96Å; K390-D435 VanDerWaalsContact CE-OD2 3.31Å; K390-D435 WeakPolarHBondContact CE-OD2 3.16Å; Q401-D435 PolarHBondContact NE2-O 3.17Å; Q401-D435 VanDerWaalsContact NE2-O 3.1Å; T433-D435 PolarHBondContact O-N 3.12Å; T433-D435 WeakPolarHBondContact OG1-CB 3.25Å; T433-D435 PolarHBondContact OG1-N 3.27Å; T433-D435 PolarHBondContact OG1-O 3.5Å; D435-A437 PolarHBondContact O-N 3.33Å; D435-A437 WeakPolarHBondContact OD1-CB 3.36Å; D435-A437 PolarHBondContact OD1-N 3.21Å; D435-V438 HydrophobicContact CB-CB 4.35Å; D435-V438 CarbonylContact O-C 3.55Å; D435-V438 PolarHBondContact O-N 3.17Å; D435-V438 VanDerWaalsContact O-N 3.17Å
436	P	74.6	Confident	83	Confident	46 Å²	46	25.8 Å²	25.8	30%	0.299	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.8	177	25.8	-34	0	0	0	112.5	P225 P400 Q401 V438	P225-P436 HydrophobicContact CB-CG 4.32Å; P400-P436 HydrophobicContact CB-CB 4.18Å; Q401-P436 PolarHBondContact NE2-O 3.19Å; P436-V438 VanDerWaalsContact C-N 3.32Å
437	A	78	Confident	82.6	Confident	42 Å²	42	28.1 Å²	28.1	35%	0.347	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.3	180	0	0	0	0	0	113.3	T28 E29 D435	T28-A437 CarbonylContact C-O 3.54Å; T28-A437 WeakPolarHBondContact CA-O 3.21Å; E29-A437 PolarHBondContact N-O 2.83Å; D435-A437 PolarHBondContact O-N 3.33Å; D435-A437 WeakPolarHBondContact OD1-CB 3.36Å; D435-A437 PolarHBondContact OD1-N 3.21Å
438	V	79	Confident	82.6	Confident	14 Å²	14	26.2 Å²	26.2	9%	0.085	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-128.8	107.8	179	-175.9	0	0	0	0	110.1	E29 K390 T433 D435 P436 W440 E441	E29-V438 HydrophobicContact CB-CG1 4.44Å; E29-V438 HydrophobicContact CB-CG2 4.24Å; K390-V438 HydrophobicContact CD-CB 4.15Å; K390-V438 HydrophobicContact CD-CG1 4.39Å; K390-V438 HydrophobicContact CD-CG2 4.28Å; T433-V438 HydrophobicContact CG2-CB 4.39Å; T433-V438 HydrophobicContact CG2-CG1 3.97Å; T433-V438 WeakPolarHBondContact CG2-O 3.36Å; T433-V438 PolarHBondContact OG1-O 2.67Å; D435-V438 HydrophobicContact CB-CB 4.35Å; D435-V438 CarbonylContact O-C 3.55Å; D435-V438 PolarHBondContact O-N 3.17Å; D435-V438 VanDerWaalsContact O-N 3.17Å; P436-V438 VanDerWaalsContact C-N 3.32Å; V438-W440 PolarHBondContact O-N 3.31Å; V438-E441 HydrophobicContact CG1-CG 3.68Å
439	R	83.6	Confident	81.9	Confident	6 Å²	6	29.7 Å²	29.7	2%	0.023	17%	0.167	C	C	.	.			trans	-63.1	-46.7	-172.8	178.6	165.1	-174.9	67.9	-0.3	112.8	T28 E29 A31 V85 Q401 R402 Y432 T433	T28-R439 HydrophobicContact CG2-CB 4.02Å; E29-R439 WeakPolarHBondContact O-CB 3.36Å; E29-R439 PolarHBondContact O-N 2.76Å; A31-R439 HydrophobicContact CB-CB 4Å; A31-R439 HydrophobicContact CB-CG 4.48Å; V85-R439 PolarHBondContact O-NH2 3.33Å; Q401-R439 VanDerWaalsContact OE1-NH1 3.11Å; R402-R439 PolarHBondContact O-NH1 3.5Å; R402-R439 PolarHBondContact O-NH2 3.45Å; Y432-R439 WeakPolarHBondContact CA-O 3.45Å; Y432-R439 HydrophobicContact CD1-CG 4.14Å; Y432-R439 WeakPolarHBondContact CD1-O 3.39Å; Y432-R439 HydrophobicContact CE1-CG 4.18Å; T433-R439 PolarHBondContact N-O 2.91Å
440	W	89.7	Confident	80.2	Confident	13 Å²	13	35.3 Å²	35.3	5%	0.049	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	156.9	-175.5	73.7	-71.3	0	0	0	109.5	G30 R87 Q89 W430 C431 Y432 V438 Y442	G30-W440 PolarHBondContact O-NE1 2.02Å; R87-W440 HydrophobicContact CB-CD2 4.31Å; R87-W440 HydrophobicContact CB-CG 4Å; R87-W440 VanDerWaalsContact NH1-CH2 3.26Å; Q89-W440 HydrophobicContact CG-CH2 3.79Å; Q89-W440 HydrophobicContact CG-CZ2 3.66Å; W430-W440 HydrophobicContact CB-CE3 3.88Å; W430-W440 HydrophobicContact CB-CZ3 3.96Å; W430-W440 HydrophobicContact CD2-CE3 4.06Å; W430-W440 HydrophobicContact CE3-CB 4.07Å; W430-W440 HydrophobicContact CE3-CD2 4.45Å; W430-W440 AromaticContact CE3-CE3 3.93Å; W430-W440 HydrophobicContact CE3-CE3 3.93Å; W430-W440 HydrophobicContact CG-CE3 4.06Å; W430-W440 HydrophobicContact CG-CZ3 4.17Å; W430-W440 HydrophobicContact CZ3-CB 4.21Å; C431-W440 VanDerWaalsContact O-CA 3.29Å; C431-W440 WeakPolarHBondContact O-CA 2.93Å; C431-W440 WeakPolarHBondContact O-CB 3.2Å; Y432-W440 HydrophobicContact CD1-CB 4.28Å; V438-W440 PolarHBondContact O-N 3.31Å; W440-Y442 HydrophobicContact CH2-CD2 4.22Å; W440-Y442 HydrophobicContact CH2-CE1 4.36Å; W440-Y442 AromaticContact CH2-CE2 3.6Å; W440-Y442 HydrophobicContact CH2-CE2 3.6Å; W440-Y442 AromaticContact CH2-CZ 3.68Å; W440-Y442 HydrophobicContact CZ3-CD1 4.25Å; W440-Y442 AromaticContact CZ3-CD2 3.96Å; W440-Y442 HydrophobicContact CZ3-CD2 3.96Å; W440-Y442 HydrophobicContact CZ3-CE1 4.01Å; W440-Y442 AromaticContact CZ3-CE2 3.75Å; W440-Y442 HydrophobicContact CZ3-CE2 3.75Å; W440-Y442 HydrophobicContact CZ3-CG 4.25Å; W440-Y442 AromaticContact CZ3-CZ 3.77Å
441	E	81.9	Confident	77.6	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.065	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161.2	170.9	-72.1	-178.6	177.5	0	0	109.7	T386 S388 K390 W430 C431 T433 V438	T386-E441 WeakPolarHBondContact CB-OE2 3.21Å; T386-E441 HydrophobicContact CG2-CB 3.74Å; T386-E441 PolarHBondContact OG1-OE2 3.3Å; S388-E441 WeakPolarHBondContact CB-OE2 3.13Å; S388-E441 PolarHBondContact OG-OE1 3.07Å; S388-E441 PolarHBondContact OG-OE2 2.97Å; K390-E441 IonicContact NZ-OE1 2.91Å; K390-E441 PolarHBondContact NZ-OE1 2.79Å; K390-E441 IonicContact NZ-OE2 3.62Å; W430-E441 WeakPolarHBondContact CA-O 3.35Å; W430-E441 WeakPolarHBondContact CB-O 2.86Å; C431-E441 PolarHBondContact N-O 3.18Å; C431-E441 VanDerWaalsContact N-O 3.13Å; C431-E441 PolarHBondContact O-N 3.05Å; C431-E441 VanDerWaalsContact O-N 3.16Å; T433-E441 HydrophobicContact CG2-CB 4.31Å; T433-E441 HydrophobicContact CG2-CG 4.18Å; V438-E441 HydrophobicContact CG1-CG 3.68Å
442	Y	85.6	Confident	75.1	Confident	8 Å²	8	50.7 Å²	50.7	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	153.1	168	-68	-79.1	0	0	0	110.8	Q89 T386 I387 D426 R427 A428 W430 W440 N523	Q89-Y442 PolarHBondContact NE2-OH 3.18Å; T386-Y442 CarbonylContact C-O 3.5Å; T386-Y442 VanDerWaalsContact CA-O 3.25Å; T386-Y442 WeakPolarHBondContact CA-O 2.98Å; T386-Y442 WeakPolarHBondContact CB-O 3.43Å; I387-Y442 PolarHBondContact N-O 2.77Å; D426-Y442 VanDerWaalsContact CG-OH 3.26Å; D426-Y442 PolarHBondContact OD1-OH 3.38Å; D426-Y442 PolarHBondContact OD2-OH 3.25Å; R427-Y442 HydrophobicContact CG-CE1 3.86Å; R427-Y442 WeakPolarHBondContact CG-OH 3.36Å; R427-Y442 VanDerWaalsContact NE-CZ 3.27Å; R427-Y442 PolarHBondContact NE-OH 3.41Å; A428-Y442 HydrophobicContact CB-CD1 3.71Å; A428-Y442 HydrophobicContact CB-CE1 4.01Å; W430-Y442 HydrophobicContact CB-CD1 4.01Å; W440-Y442 HydrophobicContact CH2-CD2 4.22Å; W440-Y442 HydrophobicContact CH2-CE1 4.36Å; W440-Y442 AromaticContact CH2-CE2 3.6Å; W440-Y442 HydrophobicContact CH2-CE2 3.6Å; W440-Y442 AromaticContact CH2-CZ 3.68Å; W440-Y442 HydrophobicContact CZ3-CD1 4.25Å; W440-Y442 AromaticContact CZ3-CD2 3.96Å; W440-Y442 HydrophobicContact CZ3-CD2 3.96Å; W440-Y442 HydrophobicContact CZ3-CE1 4.01Å; W440-Y442 AromaticContact CZ3-CE2 3.75Å; W440-Y442 HydrophobicContact CZ3-CE2 3.75Å; W440-Y442 HydrophobicContact CZ3-CG 4.25Å; W440-Y442 AromaticContact CZ3-CZ 3.77Å; Y442-N523 WeakPolarHBondContact CD2-OD1 3.37Å
443	C	85.7	Confident	72.5	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.034	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-78.9	148.9	178.3	-68.6	0	0	0	0	111.7	T383 I387 C420 P429 W430 L445	T383-C443 HydrophobicContact CG2-CB 4.35Å; I387-C443 WeakPolarHBondContact CG2-O 3.35Å; C420-C443 HydrophobicContact CB-CB 3.53Å; C420-C443 WeakPolarHBondContact CB-SG 3.02Å; C420-C443 WeakPolarHBondContact SG-CB 3.36Å; C420-C443 CovalentContact SG-SG 1.99Å; C420-C443 PolarHBondContact SG-SG 2.96Å; P429-C443 PolarHBondContact O-N 3.22Å; W430-C443 VanDerWaalsContact C-SG 3.59Å; C443-L445 HydrophobicContact CB-CD1 3.8Å; C443-L445 HydrophobicContact CB-CG 4.05Å; C443-L445 PolarHBondContact O-N 3.08Å
444	N	79.2	Confident	70	Confident	51 Å²	51	60.5 Å²	60.5	27%	0.273	36%	0.358	S	S	.	.	S	Bend	trans	-73.7	74.1	174.6	-177.2	68.9	0	0	0	110	Q385 T386 N752	Q385-N444 PolarHBondContact O-N 3.3Å; T386-N444 WeakPolarHBondContact O-CB 3.45Å; N444-N752 PolarHBondContact ND2-ND2 3.27Å; N444-N752 PolarHBondContact ND2-OD1 3.39Å; N444-N752 PolarHBondContact OD1-ND2 3.46Å
445	L	77.2	Confident	67.6	Low	21 Å²	21	63.4 Å²	63.4	11%	0.11	39%	0.386	C	S	.	.			trans	-133.2	135.7	-176.1	-71.8	170.9	0	0	0	109.6	D370 Y372 Y379 T383 C420 P429 C443	D370-L445 WeakPolarHBondContact O-CD2 3.44Å; Y372-L445 HydrophobicContact CD1-CB 3.95Å; Y372-L445 HydrophobicContact CE1-CB 4.34Å; Y372-L445 WeakPolarHBondContact CE1-O 2.96Å; Y379-L445 HydrophobicContact CD1-CD1 4.09Å; Y379-L445 HydrophobicContact CD2-CD1 4.35Å; Y379-L445 HydrophobicContact CE1-CD1 3.59Å; Y379-L445 HydrophobicContact CE2-CD1 3.88Å; Y379-L445 HydrophobicContact CE2-CD2 3.93Å; Y379-L445 HydrophobicContact CG-CD1 4.44Å; Y379-L445 VanDerWaalsContact CZ-CD1 3.47Å; T383-L445 HydrophobicContact CG2-CD1 4.44Å; T383-L445 HydrophobicContact CG2-CD2 4Å; T383-L445 HydrophobicContact CG2-CG 3.96Å; T383-L445 WeakPolarHBondContact OG1-CD2 3.15Å; C420-L445 HydrophobicContact CB-CD1 4.08Å; P429-L445 HydrophobicContact CB-CD1 3.87Å; P429-L445 HydrophobicContact CG-CD1 3.98Å; C443-L445 HydrophobicContact CB-CD1 3.8Å; C443-L445 HydrophobicContact CB-CG 4.05Å; C443-L445 PolarHBondContact O-N 3.08Å
446	E	75.8	Confident	66	Low	137 Å²	137	67.9 Å²	67.9	64%	0.64	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	156.7	175	-67.1	179.1	-167	0	0	110.9	C371 Y372	C371-E446 CarbonylContact C-O 3.57Å; C371-E446 WeakPolarHBondContact CA-O 3.34Å; C371-E446 VanDerWaalsContact CB-O 3.26Å; C371-E446 WeakPolarHBondContact CB-O 3.46Å; Y372-E446 WeakPolarHBondContact CD1-O 3.22Å; Y372-E446 PolarHBondContact N-O 3.16Å
447	K	75.9	Confident	64.1	Low	75 Å²	75	71.2 Å²	71.2	33%	0.326	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.6	166.8	-79.7	-173.7	175.7	177.6	0	109	Y372 G374 S449	Y372-K447 HydrophobicContact CD1-CG 4.46Å; Y372-K447 HydrophobicContact CD2-CG 4.25Å; Y372-K447 HydrophobicContact CE1-CG 3.84Å; Y372-K447 HydrophobicContact CE2-CD 4.26Å; Y372-K447 HydrophobicContact CE2-CG 3.61Å; Y372-K447 WeakPolarHBondContact O-CA 3.06Å; Y372-K447 WeakPolarHBondContact OH-CE 3.41Å; Y372-K447 WeakPolarHBondContact OH-CG 3.27Å; G374-K447 WeakPolarHBondContact O-CE 3.33Å; K447-S449 PolarHBondContact O-N 2.97Å
448	C	78.3	Confident	62.1	Low	26 Å²	26	74.8 Å²	74.8	18%	0.176	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-58.7	132.2	178.7	-51.2	0	0	0	0	110.2	C371 Y372 N373	C371-C448 HydrophobicContact CB-CB 3.96Å; C371-C448 WeakPolarHBondContact CB-SG 3.34Å; C371-C448 WeakPolarHBondContact SG-CA 3.22Å; C371-C448 WeakPolarHBondContact SG-CB 3.19Å; C371-C448 CovalentContact SG-SG 2.02Å; C371-C448 PolarHBondContact SG-SG 2.86Å; Y372-C448 PolarHBondContact N-SG 3.46Å; Y372-C448 VanDerWaalsContact N-SG 3.45Å; Y372-C448 PolarHBondContact O-N 3.08Å; Y372-C448 VanDerWaalsContact O-N 3.15Å; N373-C448 WeakPolarHBondContact OD1-CB 3.39Å
449	S	69.3	Low	59.6	Low	82 Å²	82	80.2 Å²	80.2	57%	0.573	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-72.8	136.5	176.6	-72	0	0	0	0	109.3	K447 K451	K447-S449 PolarHBondContact O-N 2.97Å; S449-K451 PolarHBondContact O-N 2.95Å
450	P	53.8	Low	57.4	Low	120 Å²	120	85.9 Å²	85.9	78%	0.779	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-60.9	124.5	168.9	24	-29.6	0	0	0	108.4	P452	P450-P452 VanDerWaalsContact O-CD 3.26Å; P450-P452 WeakPolarHBondContact O-CD 3.5Å; P450-P452 VanDerWaalsContact O-N 3.1Å
451	K	37.7	Very low	54.8	Low	197 Å²	197	89.2 Å²	89.2	86%	0.857	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-48.7	117.3	179.7	-77.1	-178	178	178.3	0	110.1	S449 T453	S449-K451 PolarHBondContact O-N 2.95Å; K451-T453 PolarHBondContact O-N 3Å
452	P	39.7	Very low	53.2	Low	125 Å²	125	98.1 Å²	98.1	81%	0.812	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-67.9	122.3	176.7	-17.3	29.7	0	0	0	110	P450 G454	P450-P452 VanDerWaalsContact O-CD 3.26Å; P450-P452 WeakPolarHBondContact O-CD 3.5Å; P450-P452 VanDerWaalsContact O-N 3.1Å; P452-G454 PolarHBondContact O-N 2.75Å
453	T	35	Very low	52.1	Low	146 Å²	146	103 Å²	103	90%	0.896	63%	0.634	S	S	*	*			trans	-83.5	95.4	162.1	28.4	0	0	0	0	108.3	K451	K451-T453 PolarHBondContact O-N 3Å
454	G	33.6	Very low	51.8	Low	69 Å²	69	105.1 Å²	105.1	71%	0.711	65%	0.646	S	S	*	*	S	Bend	trans	73.8	130.5	151.6	0	0	0	0	0	120.2	P452	P452-G454 PolarHBondContact O-N 2.75Å
455	A	29.2	Very low	51.5	Low	105 Å²	105	103.9 Å²	103.9	87%	0.868	64%	0.641	S	S	*	*			trans	92.5	147.8	154.4	0	0	0	0	0	119.5
456	P	43.1	Very low	51.3	Low	123 Å²	123	104.8 Å²	104.8	80%	0.799	64%	0.644	S	S	*	*			trans	-98.1	155.6	-155.3	37.6	-32.1	0	0	0	116
457	S	35	Very low	50.9	Low	116 Å²	116	104.2 Å²	104.2	81%	0.811	64%	0.644	S	S	*	*			trans	15.4	151.2	162.5	-61.8	0	0	0	0	122.7
458	P	36.5	Very low	50.5	Low	118 Å²	118	103.2 Å²	103.2	77%	0.766	65%	0.654	S	S	*	*				-137.8	147.2	104.5	34.7	-20.3	0	0	0	115.8
459	T	25.8	Very low	49.9	Very low	127 Å²	127	103.9 Å²	103.9	78%	0.779	66%	0.656	S	S	*	*			trans	37.3	135.5	149	-10.4	0	0	0	0	121.4	A461	T459-A461 PolarHBondContact O-N 2.99Å
460	P	37	Very low	50.2	Low	126 Å²	126	100 Å²	100	82%	0.818	63%	0.629	S	S	*	*			trans	-76.5	97.4	-173.5	31.5	-33.5	0	0	0	112.1
461	A	35.7	Very low	51.2	Low	82 Å²	82	95.8 Å²	95.8	68%	0.678	60%	0.604	S	S	*	*			trans	-71.3	139.4	147.4	0	0	0	0	0	107.6	T459 T463	T459-A461 PolarHBondContact O-N 2.99Å; A461-T463 PolarHBondContact O-N 3.4Å
462	Q	48.6	Very low	53.1	Low	201 Å²	201	91.3 Å²	91.3	94%	0.939	59%	0.594	S	S	*	*			trans	-42.9	104.1	178	-167.6	173.2	9.2	0	0	109.6	D464	Q462-D464 PolarHBondContact O-N 2.86Å
463	T	61.1	Low	55	Low	110 Å²	110	85.8 Å²	85.8	68%	0.675	56%	0.557	S	S	*	*			trans	-63.9	126	-168.5	8	0	0	0	0	108.5	A461 C465	A461-T463 PolarHBondContact O-N 3.4Å; T463-C465 VanDerWaalsContact C-N 3.31Å; T463-C465 PolarHBondContact O-N 2.74Å; T463-C465 PolarHBondContact O-SG 3.1Å
464	D	79.4	Confident	57.4	Low	51 Å²	51	84.3 Å²	84.3	27%	0.273	54%	0.535	S	S	.	.			trans	-68.1	91.5	175.1	-173.6	11.2	0	0	0	108.9	Q462 Y473 P476 T477 P542	Q462-D464 PolarHBondContact O-N 2.86Å; D464-Y473 VanDerWaalsContact CG-OH 3.27Å; D464-Y473 WeakPolarHBondContact OD1-CE2 3.33Å; D464-Y473 VanDerWaalsContact OD1-CZ 3.24Å; D464-Y473 PolarHBondContact OD1-OH 3.27Å; D464-Y473 PolarHBondContact OD2-OH 3.18Å; D464-P476 WeakPolarHBondContact OD2-CD 3.44Å; D464-T477 PolarHBondContact OD2-N 3.18Å; D464-T477 PolarHBondContact OD2-OG1 3.01Å; D464-P542 WeakPolarHBondContact O-CD 3.27Å; D464-P542 VanDerWaalsContact O-CG 3.27Å; D464-P542 WeakPolarHBondContact O-CG 3.38Å
465	C	74.4	Confident	59.7	Low	25 Å²	25	81.8 Å²	81.8	17%	0.169	51%	0.509	C	S	.	.			trans	-140.6	158.4	-172.3	63.5	0	0	0	0	111.6	T463 Y473 P542 C544	T463-C465 VanDerWaalsContact C-N 3.31Å; T463-C465 PolarHBondContact O-N 2.74Å; T463-C465 PolarHBondContact O-SG 3.1Å; C465-Y473 WeakPolarHBondContact O-CD2 3.12Å; C465-P542 CarbonylContact C-O 3.45Å; C465-P542 WeakPolarHBondContact CA-O 3.42Å; C465-P542 HydrophobicContact CB-CG 4.47Å; C465-P542 VanDerWaalsContact CB-O 3.25Å; C465-P542 WeakPolarHBondContact CB-O 3.49Å; C465-C544 VanDerWaalsContact C-SG 3.55Å; C465-C544 HydrophobicContact CB-CB 3.89Å; C465-C544 WeakPolarHBondContact CB-SG 3.44Å; C465-C544 WeakPolarHBondContact SG-CA 3.27Å; C465-C544 WeakPolarHBondContact SG-CB 3.43Å; C465-C544 CovalentContact SG-SG 2.04Å; C465-C544 PolarHBondContact SG-SG 2.69Å
466	K	73.5	Confident	62.5	Low	39 Å²	39	81.2 Å²	81.2	17%	0.17	50%	0.496	C	S	.	.	B	Isolated β-bridge	trans	-112.3	161.1	177.6	62.7	170.4	-175.6	124.2	0	111.1	G468 Y473 P525 I541 P542 D543 C544	K466-G468 PolarHBondContact NZ-O 2.98Å; K466-G468 VanDerWaalsContact NZ-O 3.11Å; K466-Y473 HydrophobicContact CB-CD2 3.96Å; K466-Y473 HydrophobicContact CB-CG 4.37Å; K466-P525 HydrophobicContact CD-CG 4.49Å; K466-I541 HydrophobicContact CB-CB 4.48Å; K466-I541 HydrophobicContact CB-CG2 3.84Å; K466-I541 HydrophobicContact CD-CB 4.23Å; K466-I541 HydrophobicContact CD-CG2 4.45Å; K466-I541 WeakPolarHBondContact CE-O 3.38Å; K466-I541 HydrophobicContact CG-CB 4.2Å; K466-I541 HydrophobicContact CG-CG2 3.89Å; K466-P542 PolarHBondContact N-O 3.22Å; K466-D543 WeakPolarHBondContact CE-OD1 3.39Å; K466-D543 WeakPolarHBondContact CG-OD1 3.38Å; K466-D543 IonicContact NZ-OD1 2.78Å; K466-D543 WeakPolarHBondContact O-CA 3.41Å; K466-C544 PolarHBondContact O-N 3.19Å; K466-C544 VanDerWaalsContact O-N 3.08Å
467	I	65.9	Low	64.6	Low	126 Å²	126	76.8 Å²	76.8	65%	0.646	47%	0.467	S	S	*	.	S	Bend	trans	-116.5	128.7	171.2	-60.4	174.2	0	0	0	107.2	N469 G470	I467-N469 PolarHBondContact O-N 3.23Å; I467-G470 PolarHBondContact O-N 3.48Å
468	G	67.4	Low	67.3	Low	53 Å²	53	72.9 Å²	72.9	55%	0.546	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	-130.7	-177.3	0	0	0	0	0	112.9	K466 G470	K466-G468 PolarHBondContact NZ-O 2.98Å; K466-G468 VanDerWaalsContact NZ-O 3.11Å; G468-G470 PolarHBondContact O-N 3.48Å
469	N	66.3	Low	69.7	Low	40 Å²	40	71.8 Å²	71.8	21%	0.214	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.7	174.2	72.6	-9.2	0	0	0	113.1	I467 A471 N517 N520 G524	I467-N469 PolarHBondContact O-N 3.23Å; N469-A471 PolarHBondContact O-N 2.88Å; N469-A471 WeakPolarHBondContact OD1-CB 3.43Å; N469-A471 PolarHBondContact OD1-N 2.88Å; N469-A471 VanDerWaalsContact OD1-N 3.1Å; N469-N517 PolarHBondContact O-ND2 2.81Å; N469-N520 PolarHBondContact ND2-O 3.32Å; N469-N520 PolarHBondContact ND2-OD1 3.46Å; N469-G524 VanDerWaalsContact O-CA 3.28Å; N469-G524 WeakPolarHBondContact O-CA 3.45Å
470	G	75.2	Confident	72.6	Confident	0 Å²	0	66 Å²	66	0%	0	39%	0.391	C	S	.	.			trans	71.4	24.3	179.5	0	0	0	0	0	115	I467 G468 T472 Y473 N517	I467-G470 PolarHBondContact O-N 3.48Å; G468-G470 PolarHBondContact O-N 3.48Å; G470-T472 PolarHBondContact O-N 3.24Å; G470-Y473 WeakPolarHBondContact O-CB 3.43Å; G470-Y473 PolarHBondContact O-N 2.83Å; G470-N517 WeakPolarHBondContact O-CB 3.22Å
471	A	75.5	Confident	74.7	Confident	32 Å²	32	62.9 Å²	62.9	26%	0.264	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.9	170.9	0	0	0	0	0	112.9	N469 R474 N520	N469-A471 PolarHBondContact O-N 2.88Å; N469-A471 WeakPolarHBondContact OD1-CB 3.43Å; N469-A471 PolarHBondContact OD1-N 2.88Å; N469-A471 VanDerWaalsContact OD1-N 3.1Å; A471-R474 PolarHBondContact O-NH1 2.81Å; A471-R474 VanDerWaalsContact O-NH1 3.12Å; A471-N520 VanDerWaalsContact CB-OD1 3.29Å; A471-N520 WeakPolarHBondContact CB-OD1 3.28Å
472	T	76.9	Confident	76.6	Confident	104 Å²	104	62.7 Å²	62.7	64%	0.638	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	1.9	177.6	56.3	0	0	0	0	113.1	G470 R474	G470-T472 PolarHBondContact O-N 3.24Å; T472-R474 PolarHBondContact O-N 3.32Å
473	Y	80.8	Confident	78.3	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.035	34%	0.339	C	S	.	.			trans	-62.3	130.1	-178.9	175.1	-101.7	0	0	0	110.7	D464 C465 K466 G470 G475 T477 C515 P525 I541	D464-Y473 VanDerWaalsContact CG-OH 3.27Å; D464-Y473 WeakPolarHBondContact OD1-CE2 3.33Å; D464-Y473 VanDerWaalsContact OD1-CZ 3.24Å; D464-Y473 PolarHBondContact OD1-OH 3.27Å; D464-Y473 PolarHBondContact OD2-OH 3.18Å; C465-Y473 WeakPolarHBondContact O-CD2 3.12Å; K466-Y473 HydrophobicContact CB-CD2 3.96Å; K466-Y473 HydrophobicContact CB-CG 4.37Å; G470-Y473 WeakPolarHBondContact O-CB 3.43Å; G470-Y473 PolarHBondContact O-N 2.83Å; Y473-G475 VanDerWaalsContact OH-C 3.27Å; Y473-G475 VanDerWaalsContact OH-CA 3.29Å; Y473-G475 WeakPolarHBondContact OH-CA 3.41Å; Y473-T477 VanDerWaalsContact OH-CB 3.29Å; Y473-T477 WeakPolarHBondContact OH-CB 2.97Å; Y473-T477 PolarHBondContact OH-N 3.21Å; Y473-T477 PolarHBondContact OH-OG1 3.14Å; Y473-C515 WeakPolarHBondContact CD1-O 3.12Å; Y473-C515 WeakPolarHBondContact CE1-O 3.19Å; Y473-P525 HydrophobicContact CD1-CB 4.33Å; Y473-P525 HydrophobicContact CD1-CG 4.1Å; Y473-P525 HydrophobicContact CG-CG 4.31Å; Y473-I541 HydrophobicContact CD1-CD1 3.69Å; Y473-I541 HydrophobicContact CD2-CD1 4.38Å; Y473-I541 HydrophobicContact CD2-CG2 4.03Å; Y473-I541 HydrophobicContact CE1-CD1 3.29Å; Y473-I541 HydrophobicContact CE1-CG1 4.2Å; Y473-I541 HydrophobicContact CE2-CD1 4.04Å; Y473-I541 HydrophobicContact CE2-CG1 4.33Å; Y473-I541 HydrophobicContact CE2-CG2 3.52Å; Y473-I541 HydrophobicContact CG-CD1 4.21Å; Y473-I541 VanDerWaalsContact CZ-CD1 3.46Å
474	R	85.3	Confident	79.6	Confident	115 Å²	115	51.8 Å²	51.8	43%	0.434	32%	0.315	S	S	.	.			trans	-132.4	19.8	179	-62.9	-63.2	179.9	-85.8	1.1	112.4	A471 T472	A471-R474 PolarHBondContact O-NH1 2.81Å; A471-R474 VanDerWaalsContact O-NH1 3.12Å; T472-R474 PolarHBondContact O-N 3.32Å
475	G	81.3	Confident	80.2	Confident	16 Å²	16	52.7 Å²	52.7	17%	0.165	32%	0.323	C	S	.	.			trans	-72	174.1	-179.8	0	0	0	0	0	113.8	Y473 R516	Y473-G475 VanDerWaalsContact OH-C 3.27Å; Y473-G475 VanDerWaalsContact OH-CA 3.29Å; Y473-G475 WeakPolarHBondContact OH-CA 3.41Å; G475-R516 PolarHBondContact O-NH1 2.9Å
476	P	87.7	Confident	81.2	Confident	92 Å²	92	51.6 Å²	51.6	60%	0.597	32%	0.315	S	S	*	.			trans	-82.5	-11.1	-171.9	32.4	-38	0	0	0	115.4	D464 S478	D464-P476 WeakPolarHBondContact OD2-CD 3.44Å; P476-S478 PolarHBondContact O-N 3.01Å
477	T	86.8	Confident	82.2	Confident	30 Å²	30	50 Å²	50	18%	0.184	31%	0.308	C	S	.	.			trans	-49.5	127.5	-176.9	-70.2	0	0	0	0	111.4	D464 Y473 S514 C515 C539 I541	D464-T477 PolarHBondContact OD2-N 3.18Å; D464-T477 PolarHBondContact OD2-OG1 3.01Å; Y473-T477 VanDerWaalsContact OH-CB 3.29Å; Y473-T477 WeakPolarHBondContact OH-CB 2.97Å; Y473-T477 PolarHBondContact OH-N 3.21Å; Y473-T477 PolarHBondContact OH-OG1 3.14Å; T477-S514 CarbonylContact O-C 3.59Å; T477-S514 VanDerWaalsContact O-CA 3.3Å; T477-S514 WeakPolarHBondContact O-CA 3.4Å; T477-C515 PolarHBondContact O-N 3.15Å; T477-C515 PolarHBondContact O-SG 3.36Å; T477-C515 VanDerWaalsContact O-SG 3.33Å; T477-C539 HydrophobicContact CG2-CB 4.15Å; T477-I541 HydrophobicContact CG2-CG1 4.06Å
478	S	91.4	Very high	83.5	Confident	35 Å²	35	45.4 Å²	45.4	25%	0.245	29%	0.289	C	S	.	.			trans	-139.6	21.6	-175.7	54.3	0	0	0	0	113	P476 C486 N513	P476-S478 PolarHBondContact O-N 3.01Å; S478-C486 WeakPolarHBondContact O-CB 3.37Å; S478-C486 PolarHBondContact O-N 3.33Å; S478-C486 PolarHBondContact O-SG 3.26Å; S478-N513 WeakPolarHBondContact CB-O 3.34Å
479	I	87	Confident	84.6	Confident	94 Å²	94	42.9 Å²	42.9	48%	0.482	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-124.5	135.9	177.3	-58.5	176.1	0	0	0	107.7	V484	I479-V484 WeakPolarHBondContact CA-O 3.27Å
480	T	87.9	Confident	85.8	Confident	7 Å²	7	45 Å²	45	4%	0.043	28%	0.281	C	S	.	.			trans	-76.8	167	-179.4	80.8	0	0	0	0	111.2	T482 G483 V484 C527 T529 D537 Y538	T480-T482 PolarHBondContact O-N 3.03Å; T480-T482 PolarHBondContact OG1-N 2.92Å; T480-T482 PolarHBondContact OG1-OG1 2.92Å; T480-G483 WeakPolarHBondContact O-CA 3.37Å; T480-G483 PolarHBondContact O-N 2.71Å; T480-V484 HydrophobicContact CG2-CB 4.33Å; T480-V484 VanDerWaalsContact CG2-O 3.31Å; T480-V484 WeakPolarHBondContact CG2-O 3.46Å; T480-V484 PolarHBondContact N-O 3.09Å; T480-V484 PolarHBondContact OG1-N 3.17Å; T480-C527 VanDerWaalsContact CG2-SG 3.58Å; T480-T529 HydrophobicContact CG2-CG2 3.99Å; T480-D537 WeakPolarHBondContact CB-OD2 3.5Å; T480-D537 HydrophobicContact CG2-CB 3.65Å; T480-D537 PolarHBondContact OG1-OD2 3.45Å; T480-Y538 CarbonylContact C-O 3.51Å; T480-Y538 WeakPolarHBondContact CA-O 3.45Å; T480-Y538 WeakPolarHBondContact CB-O 3.42Å
481	L	79.8	Confident	86.6	Confident	60 Å²	60	46.6 Å²	46.6	31%	0.314	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26	177.4	-175.4	142.4	0	0	0	112.5	G483 Y538 Q540	L481-G483 VanDerWaalsContact C-N 3.32Å; L481-Y538 WeakPolarHBondContact CB-O 3.48Å; L481-Y538 PolarHBondContact N-O 3.32Å; L481-Q540 HydrophobicContact CD1-CB 4.26Å
482	T	77.5	Confident	87.3	Confident	78 Å²	78	48.7 Å²	48.7	48%	0.479	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	10	173.5	64.3	0	0	0	0	113.6	T480 K534 D537	T480-T482 PolarHBondContact O-N 3.03Å; T480-T482 PolarHBondContact OG1-N 2.92Å; T480-T482 PolarHBondContact OG1-OG1 2.92Å; T482-K534 PolarHBondContact OG1-NZ 2.97Å; T482-D537 PolarHBondContact OG1-OD2 3.1Å
483	G	83.1	Confident	87.7	Confident	53 Å²	53	48 Å²	48	55%	0.546	30%	0.298	S	S	.	.	S	Bend	trans	79.4	12.9	177.7	0	0	0	0	0	114.9	T480 L481	T480-G483 WeakPolarHBondContact O-CA 3.37Å; T480-G483 PolarHBondContact O-N 2.71Å; L481-G483 VanDerWaalsContact C-N 3.32Å
484	V	88.8	Confident	88	Confident	29 Å²	29	50.7 Å²	50.7	18%	0.176	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-87.1	141.2	179.7	-176	0	0	0	0	109.7	I479 T480 D531	I479-V484 WeakPolarHBondContact CA-O 3.27Å; T480-V484 HydrophobicContact CG2-CB 4.33Å; T480-V484 VanDerWaalsContact CG2-O 3.31Å; T480-V484 WeakPolarHBondContact CG2-O 3.46Å; T480-V484 PolarHBondContact N-O 3.09Å; T480-V484 PolarHBondContact OG1-N 3.17Å; V484-D531 HydrophobicContact CG1-CB 3.95Å
485	T	92.9	Very high	88.2	Confident	70 Å²	70	46.2 Å²	46.2	43%	0.429	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-71.4	140.6	176.6	-51.9	0	0	0	0	111	T530	T485-T530 WeakPolarHBondContact O-CG2 3.42Å; T485-T530 PolarHBondContact O-N 2.98Å; T485-T530 PolarHBondContact O-OG1 3.4Å
486	C	94.6	Very high	88.3	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.014	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-72.2	136.3	174.2	-65.5	0	0	0	0	111.5	S478 N513 C527 Y528	S478-C486 WeakPolarHBondContact O-CB 3.37Å; S478-C486 PolarHBondContact O-N 3.33Å; S478-C486 PolarHBondContact O-SG 3.26Å; C486-N513 HydrophobicContact CB-CB 4.1Å; C486-N513 WeakPolarHBondContact CB-O 3.15Å; C486-N513 WeakPolarHBondContact O-CB 3.2Å; C486-N513 PolarHBondContact O-ND2 2.66Å; C486-C527 VanDerWaalsContact CA-SG 3.56Å; C486-C527 HydrophobicContact CB-CB 3.59Å; C486-C527 WeakPolarHBondContact CB-SG 3.42Å; C486-C527 WeakPolarHBondContact SG-CB 3.07Å; C486-C527 CovalentContact SG-SG 2.02Å; C486-C527 PolarHBondContact SG-SG 2.86Å; C486-Y528 CarbonylContact C-O 3.48Å; C486-Y528 VanDerWaalsContact CA-O 3.3Å; C486-Y528 WeakPolarHBondContact CA-O 3.42Å
487	Q	93.9	Very high	87.8	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.023	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-70.6	143.9	164.7	176.6	-177.7	-39.8	0	0	109.3	A491 S493 H495 Y528 T530	Q487-A491 HydrophobicContact CG-CB 4.04Å; Q487-A491 PolarHBondContact NE2-O 2.96Å; Q487-S493 VanDerWaalsContact CD-O 3.29Å; Q487-S493 PolarHBondContact OE1-O 2.7Å; Q487-H495 PolarHBondContact NE2-O 2.92Å; Q487-Y528 PolarHBondContact N-O 3.19Å; Q487-T530 HydrophobicContact CB-CG2 4.48Å
488	A	93.4	Very high	87.4	Confident	30 Å²	30	49.4 Å²	49.4	25%	0.248	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.2	138.1	175.3	0	0	0	0	0	111.4	S490 A491 G512 N513	A488-S490 PolarHBondContact O-N 2.85Å; A488-S490 VanDerWaalsContact O-N 3.14Å; A488-A491 HydrophobicContact CB-CB 4Å; A488-A491 WeakPolarHBondContact O-CB 3.44Å; A488-A491 PolarHBondContact O-N 3Å; A488-G512 CarbonylContact C-O 3.6Å; A488-G512 WeakPolarHBondContact CA-O 3.32Å; A488-N513 HydrophobicContact CB-CB 4.25Å
489	W	91.6	Very high	86.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.7	-177.5	-66.1	104.1	0	0	0	113.4	F500 P502 L510 G512 S514 R516 P518 W526 C527 Y528	W489-F500 HydrophobicContact CE3-CB 4.46Å; W489-F500 VanDerWaalsContact CE3-O 3.27Å; W489-F500 HydrophobicContact CZ3-CB 4.06Å; W489-P502 HydrophobicContact CB-CG 4.29Å; W489-P502 WeakPolarHBondContact O-CD 3.45Å; W489-L510 HydrophobicContact CB-CB 3.89Å; W489-L510 WeakPolarHBondContact CB-O 3.39Å; W489-L510 HydrophobicContact CD2-CB 4.22Å; W489-L510 HydrophobicContact CD2-CD2 3.8Å; W489-L510 HydrophobicContact CD2-CG 4.42Å; W489-L510 HydrophobicContact CE3-CD1 4.39Å; W489-L510 HydrophobicContact CE3-CD2 4.06Å; W489-L510 HydrophobicContact CG-CB 3.8Å; W489-L510 HydrophobicContact CG-CD2 4.26Å; W489-L510 HydrophobicContact CH2-CD2 4.29Å; W489-L510 HydrophobicContact CZ2-CD2 4.06Å; W489-L510 HydrophobicContact CZ3-CD2 4.29Å; W489-G512 PolarHBondContact N-O 3.04Å; W489-S514 PolarHBondContact NE1-O 3.44Å; W489-R516 HydrophobicContact CZ2-CB 3.93Å; W489-R516 HydrophobicContact CZ2-CG 4.34Å; W489-P518 HydrophobicContact CH2-CG 4.5Å; W489-W526 HydrophobicContact CH2-CD2 4.4Å; W489-W526 HydrophobicContact CH2-CE3 4.11Å; W489-W526 HydrophobicContact CH2-CH2 4.16Å; W489-W526 HydrophobicContact CH2-CZ2 4.45Å; W489-W526 AromaticContact CH2-CZ3 3.98Å; W489-W526 HydrophobicContact CH2-CZ3 3.98Å; W489-W526 WeakPolarHBondContact CZ2-O 3.38Å; W489-W526 HydrophobicContact CZ3-CH2 4.02Å; W489-W526 HydrophobicContact CZ3-CZ3 4.01Å; W489-C527 HydrophobicContact CZ2-CB 4.2Å; W489-Y528 AromaticContact CE3-CD2 3.8Å; W489-Y528 HydrophobicContact CE3-CD2 3.8Å; W489-Y528 AromaticContact CE3-CE2 3.89Å; W489-Y528 HydrophobicContact CE3-CE2 3.89Å; W489-Y528 AromaticContact CZ3-CD2 3.76Å; W489-Y528 HydrophobicContact CZ3-CD2 3.76Å; W489-Y528 AromaticContact CZ3-CE2 3.71Å; W489-Y528 HydrophobicContact CZ3-CE2 3.71Å
490	S	91	Very high	86.7	Confident	85 Å²	85	43.8 Å²	43.8	59%	0.594	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.6	174.1	57.2	0	0	0	0	114.2	A488	A488-S490 PolarHBondContact O-N 2.85Å; A488-S490 VanDerWaalsContact O-N 3.14Å
491	A	91.4	Very high	86.6	Confident	32 Å²	32	44.1 Å²	44.1	26%	0.264	27%	0.274	S	S	.	.			trans	-78.4	144.8	-179.1	0	0	0	0	0	111	Q487 A488 Q497	Q487-A491 HydrophobicContact CG-CB 4.04Å; Q487-A491 PolarHBondContact NE2-O 2.96Å; A488-A491 HydrophobicContact CB-CB 4Å; A488-A491 WeakPolarHBondContact O-CB 3.44Å; A488-A491 PolarHBondContact O-N 3Å; A491-Q497 PolarHBondContact O-NE2 3.13Å
492	Q	90.1	Very high	87	Confident	77 Å²	77	43.8 Å²	43.8	36%	0.36	28%	0.276	S	S	.	.			trans	-110.9	20.9	178.9	-66	-64.6	-33.2	0	0	112.3	H495 H496 Q497	Q492-H495 CarbonylContact C-O 3.52Å; Q492-H495 WeakPolarHBondContact CA-O 3.22Å; Q492-H496 PolarHBondContact OE1-CD2 2.88Å; Q492-H496 VanDerWaalsContact OE1-CD2 3.25Å; Q492-H496 VanDerWaalsContact OE1-CG 3.3Å; Q492-Q497 PolarHBondContact NE2-O 3.38Å; Q492-Q497 PolarHBondContact OE1-O 3.18Å
493	S	86.6	Confident	87.3	Confident	89 Å²	89	51.2 Å²	51.2	62%	0.622	30%	0.295	S	S	*	.	S	Bend	trans	-151.9	141.6	-179.3	177.3	0	0	0	0	109.4	Q487 H495	Q487-S493 VanDerWaalsContact CD-O 3.29Å; Q487-S493 PolarHBondContact OE1-O 2.7Å; S493-H495 VanDerWaalsContact C-N 3.34Å; S493-H495 PolarHBondContact N-O 3.26Å
494	P	87	Confident	87.3	Confident	65 Å²	65	52 Å²	52	42%	0.422	29%	0.29	S	S	.	.	S	Bend	cis	-69.5	-21.5	0.6	28.8	-36.9	0	0	0	114.7
495	H	87.6	Confident	87	Confident	22 Å²	22	52.8 Å²	52.8	10%	0.102	29%	0.291	C	S	.	.	S	Bend	trans	-100.2	134.2	176.7	-57.8	-65.4	0	0	0	111.1	Q487 Q492 S493 Q497 T529 D531 K534 K535	Q487-H495 PolarHBondContact NE2-O 2.92Å; Q492-H495 CarbonylContact C-O 3.52Å; Q492-H495 WeakPolarHBondContact CA-O 3.22Å; S493-H495 VanDerWaalsContact C-N 3.34Å; S493-H495 PolarHBondContact N-O 3.26Å; H495-Q497 PolarHBondContact O-OE1 3.47Å; H495-T529 PolarHBondContact CD2-O 2.61Å; H495-T529 PolarHBondContact NE2-O 3.38Å; H495-D531 PolarHBondContact CE1-O 3.02Å; H495-D531 VanDerWaalsContact CE1-O 3.32Å; H495-D531 PolarHBondContact NE2-O 3.31Å; H495-K534 PolarHBondContact NE2-O 3.39Å; H495-K535 HydrophobicContact CB-CG 4.13Å; H495-K535 PolarHBondContact CD2-O 3.2Å
496	H	84.4	Confident	86.6	Confident	119 Å²	119	53.6 Å²	53.6	55%	0.551	30%	0.298	S	S	*	.			trans	-88.9	130.9	170.1	-170.4	-82.1	0	0	0	109.2	Q492 N498	Q492-H496 PolarHBondContact OE1-CD2 2.88Å; Q492-H496 VanDerWaalsContact OE1-CD2 3.25Å; Q492-H496 VanDerWaalsContact OE1-CG 3.3Å; H496-N498 PolarHBondContact CE1-OD1 3.27Å
497	Q	77.6	Confident	85.8	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.334	C	S	.	.			trans	-136.3	128.8	-179.5	55.4	-104.9	10.2	0	0	112.5	A491 Q492 H495 T501 Y528	A491-Q497 PolarHBondContact O-NE2 3.13Å; Q492-Q497 PolarHBondContact NE2-O 3.38Å; Q492-Q497 PolarHBondContact OE1-O 3.18Å; H495-Q497 PolarHBondContact O-OE1 3.47Å; Q497-T501 HydrophobicContact CG-CG2 4.17Å; Q497-Y528 HydrophobicContact CB-CE1 4.33Å; Q497-Y528 HydrophobicContact CB-CE2 4.02Å; Q497-Y528 HydrophobicContact CG-CD2 4.19Å; Q497-Y528 HydrophobicContact CG-CE2 3.73Å
498	N	77.7	Confident	85.2	Confident	85 Å²	85	64 Å²	64	46%	0.455	35%	0.35	S	S	.	.	S	Bend	trans	-97.9	-15.7	174.1	-59.9	-25.9	0	0	0	112.3	H496 T504	H496-N498 PolarHBondContact CE1-OD1 3.27Å; N498-T504 WeakPolarHBondContact O-CG2 3.43Å
499	S	78.6	Confident	84.7	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.07	35%	0.345	C	S	.	.	S	Bend	trans	-109.5	164.9	173.4	-164	0	0	0	0	111.2	T501 Y528	S499-T501 VanDerWaalsContact C-N 3.33Å; S499-T501 PolarHBondContact O-N 3.09Å; S499-Y528 PolarHBondContact O-OH 2.99Å
500	F	85.1	Confident	84.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	50	48.1	-177.2	-54.7	-68.9	0	0	0	114	E68 K69 W489 T504 H505 P518 D519 W526 Y528	E68-F500 HydrophobicContact CG-CE2 3.93Å; E68-F500 HydrophobicContact CG-CZ 3.89Å; K69-F500 HydrophobicContact CG-CE2 4.42Å; W489-F500 HydrophobicContact CE3-CB 4.46Å; W489-F500 VanDerWaalsContact CE3-O 3.27Å; W489-F500 HydrophobicContact CZ3-CB 4.06Å; F500-T504 PolarHBondContact N-OG1 3.06Å; F500-H505 AromaticContact CD1-CE1 3.97Å; F500-H505 AromaticContact CD1-NE2 4Å; F500-H505 AromaticContact CE1-NE2 3.9Å; F500-H505 PolarHBondContact N-ND1 3.21Å; F500-P518 HydrophobicContact CD1-CB 3.83Å; F500-P518 HydrophobicContact CD1-CG 3.54Å; F500-P518 HydrophobicContact CE1-CB 4.21Å; F500-P518 HydrophobicContact CE1-CG 4Å; F500-P518 HydrophobicContact CG-CG 4.29Å; F500-D519 HydrophobicContact CE1-CB 3.8Å; F500-D519 HydrophobicContact CZ-CB 3.79Å; F500-W526 HydrophobicContact CB-CH2 4.28Å; F500-W526 HydrophobicContact CD1-CZ2 4.41Å; F500-W526 AromaticContact CD2-CH2 3.8Å; F500-W526 HydrophobicContact CD2-CH2 3.8Å; F500-W526 HydrophobicContact CD2-CZ2 4.01Å; F500-W526 HydrophobicContact CE2-CH2 4.34Å; F500-W526 HydrophobicContact CE2-CZ2 4.21Å; F500-W526 HydrophobicContact CG-CH2 4.03Å; F500-W526 HydrophobicContact CG-CZ2 4.11Å; F500-Y528 HydrophobicContact CB-CE2 4.25Å
501	T	86.3	Confident	84.1	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.086	35%	0.351	C	S	.	.	S	Bend	trans	-108.6	160.6	171.4	70.5	0	0	0	0	109.7	Q497 S499 R503 T504 H505	Q497-T501 HydrophobicContact CG-CG2 4.17Å; S499-T501 VanDerWaalsContact C-N 3.33Å; S499-T501 PolarHBondContact O-N 3.09Å; T501-R503 PolarHBondContact O-N 2.82Å; T501-R503 PolarHBondContact OG1-N 3.25Å; T501-T504 PolarHBondContact N-OG1 2.78Å; T501-T504 PolarHBondContact O-N 2.78Å; T501-T504 PolarHBondContact O-OG1 3.36Å; T501-T504 PolarHBondContact OG1-N 2.76Å; T501-T504 PolarHBondContact OG1-OG1 3.01Å; T501-T504 VanDerWaalsContact OG1-OG1 3.1Å; T501-H505 PolarHBondContact O-N 3.06Å
502	P	86.9	Confident	84	Confident	53 Å²	53	67.4 Å²	67.4	34%	0.344	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.5	174.8	-25.5	34.7	0	0	0	113.8	W489 P506 L510	W489-P502 HydrophobicContact CB-CG 4.29Å; W489-P502 WeakPolarHBondContact O-CD 3.45Å; P502-P506 WeakPolarHBondContact O-CA 3.05Å; P502-L510 HydrophobicContact CG-CB 4.27Å; P502-L510 WeakPolarHBondContact CG-O 3.42Å
503	R	85.3	Confident	84.2	Confident	235 Å²	235	66.2 Å²	66.2	89%	0.887	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-39.1	177	-65.8	-174.8	-179.9	-170.4	0.7	112.7	T501	T501-R503 PolarHBondContact O-N 2.82Å; T501-R503 PolarHBondContact OG1-N 3.25Å
504	T	82.4	Confident	84.4	Confident	70 Å²	70	63 Å²	63	43%	0.429	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-25.9	-178.2	55.2	0	0	0	0	112.8	N498 F500 T501	N498-T504 WeakPolarHBondContact O-CG2 3.43Å; F500-T504 PolarHBondContact N-OG1 3.06Å; T501-T504 PolarHBondContact N-OG1 2.78Å; T501-T504 PolarHBondContact O-N 2.78Å; T501-T504 PolarHBondContact O-OG1 3.36Å; T501-T504 PolarHBondContact OG1-N 2.76Å; T501-T504 PolarHBondContact OG1-OG1 3.01Å; T501-T504 VanDerWaalsContact OG1-OG1 3.1Å
505	H	82.9	Confident	84.7	Confident	44 Å²	44	59.9 Å²	59.9	20%	0.204	32%	0.316	C	S	.	.			trans	-134	63.8	-177.2	-66.6	79.1	0	0	0	111.6	F500 T501 D507 K508 L510	F500-H505 AromaticContact CD1-CE1 3.97Å; F500-H505 AromaticContact CD1-NE2 4Å; F500-H505 AromaticContact CE1-NE2 3.9Å; F500-H505 PolarHBondContact N-ND1 3.21Å; T501-H505 PolarHBondContact O-N 3.06Å; H505-D507 VanDerWaalsContact C-N 3.32Å; H505-D507 PolarHBondContact O-N 3.37Å; H505-K508 HydrophobicContact CB-CB 4.19Å; H505-K508 HydrophobicContact CB-CG 3.82Å; H505-K508 PolarHBondContact O-N 2.84Å; H505-L510 HydrophobicContact CB-CD1 3.87Å
506	P	83.9	Confident	84.9	Confident	88 Å²	88	59.5 Å²	59.5	57%	0.571	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-61.5	-35.7	-171.6	24.5	-34.1	0	0	0	113.4	P502 K508	P502-P506 WeakPolarHBondContact O-CA 3.05Å; P506-K508 PolarHBondContact O-N 2.87Å
507	D	78.5	Confident	85.1	Confident	145 Å²	145	54 Å²	54	78%	0.775	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-79.2	-2.4	-176.1	-55.2	-39.9	0	0	0	114	H505	H505-D507 VanDerWaalsContact C-N 3.32Å; H505-D507 PolarHBondContact O-N 3.37Å
508	K	81.6	Confident	85.6	Confident	81 Å²	81	54.1 Å²	54.1	35%	0.352	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-92.1	2.2	-173.9	-57.7	-61.1	-176.4	150.7	0	114	H505 P506 L510 P518	H505-K508 HydrophobicContact CB-CB 4.19Å; H505-K508 HydrophobicContact CB-CG 3.82Å; H505-K508 PolarHBondContact O-N 2.84Å; P506-K508 PolarHBondContact O-N 2.87Å; K508-L510 VanDerWaalsContact C-N 3.35Å; K508-L510 HydrophobicContact CB-CD1 4.49Å; K508-L510 HydrophobicContact CB-CD2 4.28Å; K508-L510 HydrophobicContact CB-CG 4.04Å; K508-L510 PolarHBondContact O-N 3.37Å; K508-P518 HydrophobicContact CB-CB 3.75Å; K508-P518 HydrophobicContact CD-CB 4.34Å; K508-P518 WeakPolarHBondContact CD-O 3.45Å; K508-P518 WeakPolarHBondContact CE-O 3.01Å; K508-P518 HydrophobicContact CG-CB 3.86Å; K508-P518 PolarHBondContact NZ-O 3.33Å
509	G	82.1	Confident	85.7	Confident	15 Å²	15	52.1 Å²	52.1	16%	0.155	28%	0.278	C	S	.	.			trans	64	37.7	174.6	0	0	0	0	0	113.4	E511 R516	G509-E511 PolarHBondContact O-N 2.89Å; G509-R516 WeakPolarHBondContact O-CD 3.48Å; G509-R516 PolarHBondContact O-NE 3.46Å
510	L	87.5	Confident	85.5	Confident	6 Å²	6	56 Å²	56	3%	0.031	30%	0.299	C	S	.	.			trans	-76.6	49.7	-177	-59.4	-177.4	0	0	0	112.3	W489 P502 H505 K508 R516 P518	W489-L510 HydrophobicContact CB-CB 3.89Å; W489-L510 WeakPolarHBondContact CB-O 3.39Å; W489-L510 HydrophobicContact CD2-CB 4.22Å; W489-L510 HydrophobicContact CD2-CD2 3.8Å; W489-L510 HydrophobicContact CD2-CG 4.42Å; W489-L510 HydrophobicContact CE3-CD1 4.39Å; W489-L510 HydrophobicContact CE3-CD2 4.06Å; W489-L510 HydrophobicContact CG-CB 3.8Å; W489-L510 HydrophobicContact CG-CD2 4.26Å; W489-L510 HydrophobicContact CH2-CD2 4.29Å; W489-L510 HydrophobicContact CZ2-CD2 4.06Å; W489-L510 HydrophobicContact CZ3-CD2 4.29Å; P502-L510 HydrophobicContact CG-CB 4.27Å; P502-L510 WeakPolarHBondContact CG-O 3.42Å; H505-L510 HydrophobicContact CB-CD1 3.87Å; K508-L510 VanDerWaalsContact C-N 3.35Å; K508-L510 HydrophobicContact CB-CD1 4.49Å; K508-L510 HydrophobicContact CB-CD2 4.28Å; K508-L510 HydrophobicContact CB-CG 4.04Å; K508-L510 PolarHBondContact O-N 3.37Å; L510-R516 HydrophobicContact CD2-CB 3.85Å; L510-R516 HydrophobicContact CD2-CG 4Å; L510-P518 HydrophobicContact CD2-CB 4.11Å; L510-P518 HydrophobicContact CD2-CG 4.2Å
511	E	83.1	Confident	85.2	Confident	148 Å²	148	57 Å²	57	69%	0.692	30%	0.304	S	S	*	.			trans	-87	138.5	-178.2	-65.3	176.1	-170.5	0	0	111.4	G509 N513	G509-E511 PolarHBondContact O-N 2.89Å; E511-N513 PolarHBondContact O-N 3.34Å
512	G	89.8	Confident	84.4	Confident	48 Å²	48	58.8 Å²	58.8	50%	0.495	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-131.9	179.2	0	0	0	0	0	112.4	A488 W489	A488-G512 CarbonylContact C-O 3.6Å; A488-G512 WeakPolarHBondContact CA-O 3.32Å; W489-G512 PolarHBondContact N-O 3.04Å
513	N	92.7	Very high	83.8	Confident	52 Å²	52	58.3 Å²	58.3	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	20.2	178.8	71.7	-28.3	0	0	0	113	S478 C486 A488 E511	S478-N513 WeakPolarHBondContact CB-O 3.34Å; C486-N513 HydrophobicContact CB-CB 4.1Å; C486-N513 WeakPolarHBondContact CB-O 3.15Å; C486-N513 WeakPolarHBondContact O-CB 3.2Å; C486-N513 PolarHBondContact O-ND2 2.66Å; A488-N513 HydrophobicContact CB-CB 4.25Å; E511-N513 PolarHBondContact O-N 3.34Å
514	S	92.1	Very high	83.6	Confident	21 Å²	21	47.1 Å²	47.1	15%	0.147	27%	0.267	C	S	.	.			trans	-72.6	147.8	178.9	-58.3	0	0	0	0	111.6	T477 W489	T477-S514 CarbonylContact O-C 3.59Å; T477-S514 VanDerWaalsContact O-CA 3.3Å; T477-S514 WeakPolarHBondContact O-CA 3.4Å; W489-S514 PolarHBondContact NE1-O 3.44Å
515	C	92.3	Very high	83.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.			trans	-63.7	135.5	177.3	-57.1	0	0	0	0	111.3	Y473 T477 P525 C539 I541	Y473-C515 WeakPolarHBondContact CD1-O 3.12Å; Y473-C515 WeakPolarHBondContact CE1-O 3.19Å; T477-C515 PolarHBondContact O-N 3.15Å; T477-C515 PolarHBondContact O-SG 3.36Å; T477-C515 VanDerWaalsContact O-SG 3.33Å; C515-P525 HydrophobicContact CB-CB 4.15Å; C515-C539 HydrophobicContact CB-CB 3.5Å; C515-C539 WeakPolarHBondContact CB-SG 3.46Å; C515-C539 WeakPolarHBondContact SG-CB 3.21Å; C515-C539 CovalentContact SG-SG 2.01Å; C515-C539 PolarHBondContact SG-SG 3.02Å; C515-I541 HydrophobicContact CB-CD1 4.34Å
516	R	92.5	Very high	84.3	Confident	14 Å²	14	41.8 Å²	41.8	5%	0.053	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-140.1	161.2	-178.8	-63.6	-65.7	178.3	-102.1	2.9	109.7	G475 W489 G509 L510 P518 P525 W526	G475-R516 PolarHBondContact O-NH1 2.9Å; W489-R516 HydrophobicContact CZ2-CB 3.93Å; W489-R516 HydrophobicContact CZ2-CG 4.34Å; G509-R516 WeakPolarHBondContact O-CD 3.48Å; G509-R516 PolarHBondContact O-NE 3.46Å; L510-R516 HydrophobicContact CD2-CB 3.85Å; L510-R516 HydrophobicContact CD2-CG 4Å; R516-P518 WeakPolarHBondContact O-CD 3.21Å; R516-P525 CarbonylContact O-C 3.59Å; R516-P525 WeakPolarHBondContact O-CA 3.39Å; R516-W526 PolarHBondContact N-O 2.85Å; R516-W526 PolarHBondContact O-N 2.93Å
517	N	87.8	Confident	84.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.016	21%	0.21	C	C	.	.			trans	-119.1	67.3	173.1	-168.3	3.6	0	0	0	110.5	N469 G470 D519 N520 D521 P525	N469-N517 PolarHBondContact O-ND2 2.81Å; G470-N517 WeakPolarHBondContact O-CB 3.22Å; N517-D519 VanDerWaalsContact C-N 3.33Å; N517-D519 PolarHBondContact O-N 2.02Å; N517-D519 PolarHBondContact OD1-OD1 3.22Å; N517-D519 VanDerWaalsContact OD1-OD1 3.05Å; N517-N520 PolarHBondContact O-N 3.17Å; N517-N520 WeakPolarHBondContact OD1-CA 3.43Å; N517-N520 PolarHBondContact OD1-N 3.13Å; N517-D521 PolarHBondContact ND2-O 3.4Å; N517-D521 WeakPolarHBondContact OD1-CB 3.47Å; N517-D521 PolarHBondContact OD1-N 2.66Å; N517-P525 HydrophobicContact CB-CB 4.41Å; N517-P525 HydrophobicContact CB-CG 4.27Å
518	P	87.8	Confident	85.4	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.026	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.2	-171.6	27.7	-35.1	0	0	0	113.8	W489 F500 K508 L510 R516 W526	W489-P518 HydrophobicContact CH2-CG 4.5Å; F500-P518 HydrophobicContact CD1-CB 3.83Å; F500-P518 HydrophobicContact CD1-CG 3.54Å; F500-P518 HydrophobicContact CE1-CB 4.21Å; F500-P518 HydrophobicContact CE1-CG 4Å; F500-P518 HydrophobicContact CG-CG 4.29Å; K508-P518 HydrophobicContact CB-CB 3.75Å; K508-P518 HydrophobicContact CD-CB 4.34Å; K508-P518 WeakPolarHBondContact CD-O 3.45Å; K508-P518 WeakPolarHBondContact CE-O 3.01Å; K508-P518 HydrophobicContact CG-CB 3.86Å; K508-P518 PolarHBondContact NZ-O 3.33Å; L510-P518 HydrophobicContact CD2-CB 4.11Å; L510-P518 HydrophobicContact CD2-CG 4.2Å; R516-P518 WeakPolarHBondContact O-CD 3.21Å; P518-W526 HydrophobicContact CG-CZ2 4.04Å
519	D	81	Confident	85.9	Confident	44 Å²	44	26.9 Å²	26.9	24%	0.235	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.6	-179.5	54.7	-18.9	0	0	0	113.5	K69 F500 N517 D521 W526	K69-D519 WeakPolarHBondContact CE-OD2 3.44Å; K69-D519 IonicContact NZ-OD2 3.02Å; F500-D519 HydrophobicContact CE1-CB 3.8Å; F500-D519 HydrophobicContact CZ-CB 3.79Å; N517-D519 VanDerWaalsContact C-N 3.33Å; N517-D519 PolarHBondContact O-N 2.02Å; N517-D519 PolarHBondContact OD1-OD1 3.22Å; N517-D519 VanDerWaalsContact OD1-OD1 3.05Å; D519-D521 PolarHBondContact O-N 2.81Å; D519-W526 VanDerWaalsContact CG-NE1 3.34Å; D519-W526 PolarHBondContact OD1-NE1 3.12Å; D519-W526 PolarHBondContact OD2-NE1 3.43Å
520	N	74.7	Confident	86.4	Confident	92 Å²	92	29.4 Å²	29.4	49%	0.492	17%	0.169	S	C	.	.			trans	59	31.6	-178.3	-162.1	48.5	0	0	0	112.7	N469 A471 N517 V522	N469-N520 PolarHBondContact ND2-O 3.32Å; N469-N520 PolarHBondContact ND2-OD1 3.46Å; A471-N520 VanDerWaalsContact CB-OD1 3.29Å; A471-N520 WeakPolarHBondContact CB-OD1 3.28Å; N517-N520 PolarHBondContact O-N 3.17Å; N517-N520 WeakPolarHBondContact OD1-CA 3.43Å; N517-N520 PolarHBondContact OD1-N 3.13Å; N520-V522 PolarHBondContact O-N 3.24Å
521	D	78.8	Confident	86.4	Confident	20 Å²	20	32 Å²	32	11%	0.107	18%	0.183	C	C	.	.			trans	-55.9	128.1	177.3	-166.6	-43.4	0	0	0	110.3	K69 N517 D519 N523 G524 Y538	K69-D521 WeakPolarHBondContact CE-OD2 3.38Å; K69-D521 IonicContact NZ-OD2 2.54Å; K69-D521 PolarHBondContact NZ-OD2 2.59Å; N517-D521 PolarHBondContact ND2-O 3.4Å; N517-D521 WeakPolarHBondContact OD1-CB 3.47Å; N517-D521 PolarHBondContact OD1-N 2.66Å; D519-D521 PolarHBondContact O-N 2.81Å; D521-N523 PolarHBondContact O-N 3.16Å; D521-N523 VanDerWaalsContact OD1-CB 3.24Å; D521-N523 WeakPolarHBondContact OD1-CB 3.16Å; D521-N523 PolarHBondContact OD1-N 2.61Å; D521-N523 PolarHBondContact OD1-ND2 3.09Å; D521-G524 PolarHBondContact O-N 2.94Å; D521-G524 VanDerWaalsContact O-N 3.13Å; D521-Y538 PolarHBondContact OD2-OH 2.98Å
522	V	68.9	Low	86.6	Confident	52 Å²	52	27.5 Å²	27.5	32%	0.315	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28	-179.5	-68.8	0	0	0	0	112.7	I387 N520 G524	I387-V522 VanDerWaalsContact CD1-C 3.48Å; I387-V522 HydrophobicContact CD1-CB 4.02Å; I387-V522 HydrophobicContact CD1-CG2 3.94Å; I387-V522 VanDerWaalsContact CD1-O 3.29Å; I387-V522 WeakPolarHBondContact CD1-O 3.46Å; I387-V522 HydrophobicContact CG1-CB 4.19Å; I387-V522 HydrophobicContact CG1-CG2 4.38Å; N520-V522 PolarHBondContact O-N 3.24Å; V522-G524 PolarHBondContact O-N 3.29Å
523	N	74.9	Confident	86.4	Confident	42 Å²	42	32.9 Å²	32.9	23%	0.225	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.5	-179.3	-61.6	-65	0	0	0	113.9	I387 Y442 D521 Y538	I387-N523 HydrophobicContact CD1-CB 4.34Å; I387-N523 WeakPolarHBondContact CD1-OD1 3.21Å; Y442-N523 WeakPolarHBondContact CD2-OD1 3.37Å; D521-N523 PolarHBondContact O-N 3.16Å; D521-N523 VanDerWaalsContact OD1-CB 3.24Å; D521-N523 WeakPolarHBondContact OD1-CB 3.16Å; D521-N523 PolarHBondContact OD1-N 2.61Å; D521-N523 PolarHBondContact OD1-ND2 3.09Å; N523-Y538 HydrophobicContact CB-CD1 3.93Å; N523-Y538 HydrophobicContact CB-CE1 3.4Å; N523-Y538 VanDerWaalsContact CB-CE1 3.4Å; N523-Y538 HydrophobicContact CB-CE2 4.32Å; N523-Y538 PolarHBondContact ND2-OH 3.2Å
524	G	80.3	Confident	86	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.01	19%	0.193	C	C	.	.			trans	102.9	-170.9	175.4	0	0	0	0	0	114.5	N469 D521 V522	N469-G524 VanDerWaalsContact O-CA 3.28Å; N469-G524 WeakPolarHBondContact O-CA 3.45Å; D521-G524 PolarHBondContact O-N 2.94Å; D521-G524 VanDerWaalsContact O-N 3.13Å; V522-G524 PolarHBondContact O-N 3.29Å
525	P	88.3	Confident	85.7	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.197	C	C	.	.			trans	-61.6	144.6	-177.2	-23.8	36.3	0	0	0	113.1	K466 Y473 C515 R516 N517 C539 I541	K466-P525 HydrophobicContact CD-CG 4.49Å; Y473-P525 HydrophobicContact CD1-CB 4.33Å; Y473-P525 HydrophobicContact CD1-CG 4.1Å; Y473-P525 HydrophobicContact CG-CG 4.31Å; C515-P525 HydrophobicContact CB-CB 4.15Å; R516-P525 CarbonylContact O-C 3.59Å; R516-P525 WeakPolarHBondContact O-CA 3.39Å; N517-P525 HydrophobicContact CB-CB 4.41Å; N517-P525 HydrophobicContact CB-CG 4.27Å; P525-C539 PolarHBondContact O-N 2.95Å; P525-I541 HydrophobicContact CB-CD1 3.65Å; P525-I541 HydrophobicContact CG-CD1 3.6Å
526	W	92.1	Very high	85.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	173.8	179.7	63.3	-86.8	0	0	0	110.8	K69 W489 F500 R516 P518 D519 Y528 W536 D537 Y538	K69-W526 HydrophobicContact CD-CD2 4.28Å; K69-W526 HydrophobicContact CD-CE3 4.48Å; K69-W526 HydrophobicContact CD-CH2 4.24Å; K69-W526 HydrophobicContact CD-CZ2 4Å; K69-W526 HydrophobicContact CD-CZ3 4.47Å; K69-W526 HydrophobicContact CG-CH2 4.08Å; K69-W526 HydrophobicContact CG-CZ2 3.96Å; W489-W526 HydrophobicContact CH2-CD2 4.4Å; W489-W526 HydrophobicContact CH2-CE3 4.11Å; W489-W526 HydrophobicContact CH2-CH2 4.16Å; W489-W526 HydrophobicContact CH2-CZ2 4.45Å; W489-W526 AromaticContact CH2-CZ3 3.98Å; W489-W526 HydrophobicContact CH2-CZ3 3.98Å; W489-W526 WeakPolarHBondContact CZ2-O 3.38Å; W489-W526 HydrophobicContact CZ3-CH2 4.02Å; W489-W526 HydrophobicContact CZ3-CZ3 4.01Å; F500-W526 HydrophobicContact CB-CH2 4.28Å; F500-W526 HydrophobicContact CD1-CZ2 4.41Å; F500-W526 AromaticContact CD2-CH2 3.8Å; F500-W526 HydrophobicContact CD2-CH2 3.8Å; F500-W526 HydrophobicContact CD2-CZ2 4.01Å; F500-W526 HydrophobicContact CE2-CH2 4.34Å; F500-W526 HydrophobicContact CE2-CZ2 4.21Å; F500-W526 HydrophobicContact CG-CH2 4.03Å; F500-W526 HydrophobicContact CG-CZ2 4.11Å; R516-W526 PolarHBondContact N-O 2.85Å; R516-W526 PolarHBondContact O-N 2.93Å; P518-W526 HydrophobicContact CG-CZ2 4.04Å; D519-W526 VanDerWaalsContact CG-NE1 3.34Å; D519-W526 PolarHBondContact OD1-NE1 3.12Å; D519-W526 PolarHBondContact OD2-NE1 3.43Å; W526-Y528 HydrophobicContact CH2-CE2 4.38Å; W526-Y528 HydrophobicContact CZ3-CD1 4.36Å; W526-Y528 HydrophobicContact CZ3-CD2 4.48Å; W526-Y528 HydrophobicContact CZ3-CE1 4.1Å; W526-Y528 HydrophobicContact CZ3-CE2 4.25Å; W526-W536 HydrophobicContact CE3-CB 3.9Å; W526-W536 HydrophobicContact CE3-CE3 4.42Å; W526-W536 HydrophobicContact CE3-CG 4.4Å; W526-W536 HydrophobicContact CZ3-CB 3.96Å; W526-W536 HydrophobicContact CZ3-CG 4.42Å; W526-D537 VanDerWaalsContact CA-O 3.32Å; W526-D537 WeakPolarHBondContact CA-O 3.38Å; W526-D537 VanDerWaalsContact CB-O 3.3Å; W526-D537 WeakPolarHBondContact CB-O 3.44Å; W526-Y538 HydrophobicContact CB-CD1 3.81Å; W526-Y538 HydrophobicContact CB-CE1 4.24Å; W526-Y538 HydrophobicContact CB-CG 4.38Å
527	C	93.2	Very high	85.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.2	172.9	66.2	0	0	0	0	111.2	T480 C486 W489 W536 D537	T480-C527 VanDerWaalsContact CG2-SG 3.58Å; C486-C527 VanDerWaalsContact CA-SG 3.56Å; C486-C527 HydrophobicContact CB-CB 3.59Å; C486-C527 WeakPolarHBondContact CB-SG 3.42Å; C486-C527 WeakPolarHBondContact SG-CB 3.07Å; C486-C527 CovalentContact SG-SG 2.02Å; C486-C527 PolarHBondContact SG-SG 2.86Å; W489-C527 HydrophobicContact CZ2-CB 4.2Å; C527-W536 CarbonylContact O-C 3.04Å; C527-W536 VanDerWaalsContact O-CA 3.24Å; C527-W536 WeakPolarHBondContact O-CA 3.38Å; C527-W536 WeakPolarHBondContact O-CB 3.3Å; C527-D537 PolarHBondContact N-O 2.92Å; C527-D537 PolarHBondContact O-N 3.33Å
528	Y	92.9	Very high	85.3	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.7	161.6	-66.2	-67.5	0	0	0	109.2	C486 Q487 W489 Q497 S499 F500 W526 K535 W536	C486-Y528 CarbonylContact C-O 3.48Å; C486-Y528 VanDerWaalsContact CA-O 3.3Å; C486-Y528 WeakPolarHBondContact CA-O 3.42Å; Q487-Y528 PolarHBondContact N-O 3.19Å; W489-Y528 AromaticContact CE3-CD2 3.8Å; W489-Y528 HydrophobicContact CE3-CD2 3.8Å; W489-Y528 AromaticContact CE3-CE2 3.89Å; W489-Y528 HydrophobicContact CE3-CE2 3.89Å; W489-Y528 AromaticContact CZ3-CD2 3.76Å; W489-Y528 HydrophobicContact CZ3-CD2 3.76Å; W489-Y528 AromaticContact CZ3-CE2 3.71Å; W489-Y528 HydrophobicContact CZ3-CE2 3.71Å; Q497-Y528 HydrophobicContact CB-CE1 4.33Å; Q497-Y528 HydrophobicContact CB-CE2 4.02Å; Q497-Y528 HydrophobicContact CG-CD2 4.19Å; Q497-Y528 HydrophobicContact CG-CE2 3.73Å; S499-Y528 PolarHBondContact O-OH 2.99Å; F500-Y528 HydrophobicContact CB-CE2 4.25Å; W526-Y528 HydrophobicContact CH2-CE2 4.38Å; W526-Y528 HydrophobicContact CZ3-CD1 4.36Å; W526-Y528 HydrophobicContact CZ3-CD2 4.48Å; W526-Y528 HydrophobicContact CZ3-CE1 4.1Å; W526-Y528 HydrophobicContact CZ3-CE2 4.25Å; Y528-K535 VanDerWaalsContact CA-O 3.3Å; Y528-K535 WeakPolarHBondContact CA-O 3.34Å; Y528-K535 HydrophobicContact CD1-CG 4.2Å; Y528-K535 WeakPolarHBondContact CD1-O 3.44Å; Y528-K535 HydrophobicContact CE1-CG 4.39Å; Y528-W536 HydrophobicContact CD1-CB 4.07Å
529	T	91.9	Very high	85.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-103.9	160	-175.6	97.4	0	0	0	0	112.2	T480 H495 D531 K534 K535 W536 D537	T480-T529 HydrophobicContact CG2-CG2 3.99Å; H495-T529 PolarHBondContact CD2-O 2.61Å; H495-T529 PolarHBondContact NE2-O 3.38Å; T529-D531 VanDerWaalsContact C-N 3.25Å; T529-D531 WeakPolarHBondContact OG1-CB 3.41Å; T529-D531 PolarHBondContact OG1-N 3.29Å; T529-K534 WeakPolarHBondContact CB-O 3.02Å; T529-K534 HydrophobicContact CG2-CG 4.42Å; T529-K534 WeakPolarHBondContact CG2-O 3.02Å; T529-K534 PolarHBondContact OG1-O 2.78Å; T529-K535 PolarHBondContact N-O 3.2Å; T529-W536 VanDerWaalsContact CG2-C 3.48Å; T529-D537 HydrophobicContact CG2-CB 3.62Å
530	T	91.3	Very high	85.3	Confident	69 Å²	69	40.4 Å²	40.4	42%	0.423	22%	0.222	S	C	.	.	S	Bend	trans	-80.6	-2.2	171.3	56.9	0	0	0	0	113.7	T485 Q487	T485-T530 WeakPolarHBondContact O-CG2 3.42Å; T485-T530 PolarHBondContact O-N 2.98Å; T485-T530 PolarHBondContact O-OG1 3.4Å; Q487-T530 HydrophobicContact CB-CG2 4.48Å
531	D	89.1	Confident	85.5	Confident	60 Å²	60	36.4 Å²	36.4	32%	0.321	20%	0.201	S	C	.	.			trans	-82.5	121.4	175.9	179	-2.4	0	0	0	110.3	V484 H495 T529 N533 K534	V484-D531 HydrophobicContact CG1-CB 3.95Å; H495-D531 PolarHBondContact CE1-O 3.02Å; H495-D531 VanDerWaalsContact CE1-O 3.32Å; H495-D531 PolarHBondContact NE2-O 3.31Å; T529-D531 VanDerWaalsContact C-N 3.25Å; T529-D531 WeakPolarHBondContact OG1-CB 3.41Å; T529-D531 PolarHBondContact OG1-N 3.29Å; D531-N533 PolarHBondContact O-N 2.78Å; D531-N533 VanDerWaalsContact O-N 3.17Å; D531-N533 PolarHBondContact OD1-N 2.02Å; D531-K534 HydrophobicContact CB-CB 4.25Å; D531-K534 CarbonylContact O-C 3.58Å; D531-K534 PolarHBondContact O-N 3.08Å; D531-K534 VanDerWaalsContact O-N 3.11Å; D531-K534 VanDerWaalsContact O-O 3.11Å
532	G	85.8	Confident	85.3	Confident	54 Å²	54	39.4 Å²	39.4	56%	0.557	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.4	179.5	0	0	0	0	0	114.5
533	N	85.4	Confident	85.2	Confident	160 Å²	160	40.6 Å²	40.6	86%	0.856	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.5	178.5	-63.8	-48.2	0	0	0	113.5	D531	D531-N533 PolarHBondContact O-N 2.78Å; D531-N533 VanDerWaalsContact O-N 3.17Å; D531-N533 PolarHBondContact OD1-N 2.02Å
534	K	84.3	Confident	84.9	Confident	61 Å²	61	41 Å²	41	27%	0.265	23%	0.231	S	C	.	.			trans	-131.5	96.5	-177	-167.1	176.2	-173	-174.5	0	110.2	T482 H495 T529 D531 W536 D537	T482-K534 PolarHBondContact OG1-NZ 2.97Å; H495-K534 PolarHBondContact NE2-O 3.39Å; T529-K534 WeakPolarHBondContact CB-O 3.02Å; T529-K534 HydrophobicContact CG2-CG 4.42Å; T529-K534 WeakPolarHBondContact CG2-O 3.02Å; T529-K534 PolarHBondContact OG1-O 2.78Å; D531-K534 HydrophobicContact CB-CB 4.25Å; D531-K534 CarbonylContact O-C 3.58Å; D531-K534 PolarHBondContact O-N 3.08Å; D531-K534 VanDerWaalsContact O-N 3.11Å; D531-K534 VanDerWaalsContact O-O 3.11Å; K534-W536 VanDerWaalsContact C-N 3.32Å; K534-W536 PolarHBondContact O-N 2.59Å; K534-D537 HydrophobicContact CD-CB 4.21Å; K534-D537 WeakPolarHBondContact CE-OD1 2.96Å; K534-D537 IonicContact NZ-OD1 2.85Å; K534-D537 PolarHBondContact NZ-OD1 3.45Å; K534-D537 IonicContact NZ-OD2 2.86Å; K534-D537 PolarHBondContact NZ-OD2 2.55Å
535	K	86.2	Confident	83.6	Confident	53 Å²	53	46.1 Å²	46.1	23%	0.23	27%	0.274	C	S	.	.	S	Bend	trans	-54.9	-44.9	-175.2	-168.1	175.9	-176.4	-174.4	0	113.1	D70 H495 Y528 T529	D70-K535 PolarHBondContact O-NZ 3.25Å; H495-K535 HydrophobicContact CB-CG 4.13Å; H495-K535 PolarHBondContact CD2-O 3.2Å; Y528-K535 VanDerWaalsContact CA-O 3.3Å; Y528-K535 WeakPolarHBondContact CA-O 3.34Å; Y528-K535 HydrophobicContact CD1-CG 4.2Å; Y528-K535 WeakPolarHBondContact CD1-O 3.44Å; Y528-K535 HydrophobicContact CE1-CG 4.39Å; T529-K535 PolarHBondContact N-O 3.2Å
536	W	90.4	Very high	82.1	Confident	32 Å²	32	48.1 Å²	48.1	12%	0.121	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.3	-178.9	61.6	-93.1	0	0	0	111.4	K69 D70 S90 W526 C527 Y528 T529 K534 Y538	K69-W536 HydrophobicContact CD-CD2 3.78Å; K69-W536 HydrophobicContact CD-CE3 3.97Å; K69-W536 HydrophobicContact CD-CG 4.43Å; K69-W536 HydrophobicContact CD-CH2 3.95Å; K69-W536 HydrophobicContact CD-CZ2 3.74Å; K69-W536 HydrophobicContact CD-CZ3 4.05Å; D70-W536 PolarHBondContact OD1-NE1 3.41Å; D70-W536 VanDerWaalsContact OD1-NE1 3.07Å; S90-W536 WeakPolarHBondContact OG-CH2 3.12Å; W526-W536 HydrophobicContact CE3-CB 3.9Å; W526-W536 HydrophobicContact CE3-CE3 4.42Å; W526-W536 HydrophobicContact CE3-CG 4.4Å; W526-W536 HydrophobicContact CZ3-CB 3.96Å; W526-W536 HydrophobicContact CZ3-CG 4.42Å; C527-W536 CarbonylContact O-C 3.04Å; C527-W536 VanDerWaalsContact O-CA 3.24Å; C527-W536 WeakPolarHBondContact O-CA 3.38Å; C527-W536 WeakPolarHBondContact O-CB 3.3Å; Y528-W536 HydrophobicContact CD1-CB 4.07Å; T529-W536 VanDerWaalsContact CG2-C 3.48Å; K534-W536 VanDerWaalsContact C-N 3.32Å; K534-W536 PolarHBondContact O-N 2.59Å; W536-Y538 AromaticContact CH2-CE2 3.93Å; W536-Y538 HydrophobicContact CH2-CE2 3.93Å; W536-Y538 AromaticContact CZ3-CD2 3.96Å; W536-Y538 HydrophobicContact CZ3-CD2 3.96Å; W536-Y538 HydrophobicContact CZ3-CE1 4.3Å; W536-Y538 AromaticContact CZ3-CE2 3.44Å; W536-Y538 HydrophobicContact CZ3-CE2 3.44Å; W536-Y538 VanDerWaalsContact CZ3-CE2 3.44Å; W536-Y538 AromaticContact CZ3-CZ 3.6Å
537	D	87.8	Confident	80.6	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.059	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.4	177.4	-167.6	27.4	0	0	0	111.9	T480 T482 W526 C527 T529 K534	T480-D537 WeakPolarHBondContact CB-OD2 3.5Å; T480-D537 HydrophobicContact CG2-CB 3.65Å; T480-D537 PolarHBondContact OG1-OD2 3.45Å; T482-D537 PolarHBondContact OG1-OD2 3.1Å; W526-D537 VanDerWaalsContact CA-O 3.32Å; W526-D537 WeakPolarHBondContact CA-O 3.38Å; W526-D537 VanDerWaalsContact CB-O 3.3Å; W526-D537 WeakPolarHBondContact CB-O 3.44Å; C527-D537 PolarHBondContact N-O 2.92Å; C527-D537 PolarHBondContact O-N 3.33Å; T529-D537 HydrophobicContact CG2-CB 3.62Å; K534-D537 HydrophobicContact CD-CB 4.21Å; K534-D537 WeakPolarHBondContact CE-OD1 2.96Å; K534-D537 IonicContact NZ-OD1 2.85Å; K534-D537 PolarHBondContact NZ-OD1 3.45Å; K534-D537 IonicContact NZ-OD2 2.86Å; K534-D537 PolarHBondContact NZ-OD2 2.55Å
538	Y	86.8	Confident	79.9	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.016	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	158.8	179.1	-65.2	-80.9	0	0	0	112.2	K69 S90 R427 T480 L481 D521 N523 W526 W536	K69-Y538 PolarHBondContact NZ-OH 3.27Å; S90-Y538 PolarHBondContact OG-OH 3.19Å; R427-Y538 VanDerWaalsContact CZ-CD2 3.5Å; R427-Y538 VanDerWaalsContact NH2-CE2 3.32Å; T480-Y538 CarbonylContact C-O 3.51Å; T480-Y538 WeakPolarHBondContact CA-O 3.45Å; T480-Y538 WeakPolarHBondContact CB-O 3.42Å; L481-Y538 WeakPolarHBondContact CB-O 3.48Å; L481-Y538 PolarHBondContact N-O 3.32Å; D521-Y538 PolarHBondContact OD2-OH 2.98Å; N523-Y538 HydrophobicContact CB-CD1 3.93Å; N523-Y538 HydrophobicContact CB-CE1 3.4Å; N523-Y538 VanDerWaalsContact CB-CE1 3.4Å; N523-Y538 HydrophobicContact CB-CE2 4.32Å; N523-Y538 PolarHBondContact ND2-OH 3.2Å; W526-Y538 HydrophobicContact CB-CD1 3.81Å; W526-Y538 HydrophobicContact CB-CE1 4.24Å; W526-Y538 HydrophobicContact CB-CG 4.38Å; W536-Y538 AromaticContact CH2-CE2 3.93Å; W536-Y538 HydrophobicContact CH2-CE2 3.93Å; W536-Y538 AromaticContact CZ3-CD2 3.96Å; W536-Y538 HydrophobicContact CZ3-CD2 3.96Å; W536-Y538 HydrophobicContact CZ3-CE1 4.3Å; W536-Y538 AromaticContact CZ3-CE2 3.44Å; W536-Y538 HydrophobicContact CZ3-CE2 3.44Å; W536-Y538 VanDerWaalsContact CZ3-CE2 3.44Å; W536-Y538 AromaticContact CZ3-CZ 3.6Å
539	C	85.8	Confident	79.7	Confident	11 Å²	11	61.8 Å²	61.8	7%	0.074	37%	0.368	C	S	.	.			trans	-113.6	142.4	176	-51.7	0	0	0	0	111	T477 C515 P525 I541	T477-C539 HydrophobicContact CG2-CB 4.15Å; C515-C539 HydrophobicContact CB-CB 3.5Å; C515-C539 WeakPolarHBondContact CB-SG 3.46Å; C515-C539 WeakPolarHBondContact SG-CB 3.21Å; C515-C539 CovalentContact SG-SG 2.01Å; C515-C539 PolarHBondContact SG-SG 3.02Å; P525-C539 PolarHBondContact O-N 2.95Å; C539-I541 HydrophobicContact CB-CD1 4.31Å
540	Q	82.7	Confident	79.6	Confident	125 Å²	125	61.8 Å²	61.8	58%	0.584	37%	0.368	S	S	*	.			trans	-91.1	107.1	176.6	-174	172.1	-13.9	0	0	109.4	L481	L481-Q540 HydrophobicContact CD1-CB 4.26Å
541	I	79.6	Confident	79.4	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.041	36%	0.361	C	S	.	.			trans	-122.4	126.4	177.2	-62.1	149.6	0	0	0	107.3	K466 Y473 T477 C515 P525 C539	K466-I541 HydrophobicContact CB-CB 4.48Å; K466-I541 HydrophobicContact CB-CG2 3.84Å; K466-I541 HydrophobicContact CD-CB 4.23Å; K466-I541 HydrophobicContact CD-CG2 4.45Å; K466-I541 WeakPolarHBondContact CE-O 3.38Å; K466-I541 HydrophobicContact CG-CB 4.2Å; K466-I541 HydrophobicContact CG-CG2 3.89Å; Y473-I541 HydrophobicContact CD1-CD1 3.69Å; Y473-I541 HydrophobicContact CD2-CD1 4.38Å; Y473-I541 HydrophobicContact CD2-CG2 4.03Å; Y473-I541 HydrophobicContact CE1-CD1 3.29Å; Y473-I541 HydrophobicContact CE1-CG1 4.2Å; Y473-I541 HydrophobicContact CE2-CD1 4.04Å; Y473-I541 HydrophobicContact CE2-CG1 4.33Å; Y473-I541 HydrophobicContact CE2-CG2 3.52Å; Y473-I541 HydrophobicContact CG-CD1 4.21Å; Y473-I541 VanDerWaalsContact CZ-CD1 3.46Å; T477-I541 HydrophobicContact CG2-CG1 4.06Å; C515-I541 HydrophobicContact CB-CD1 4.34Å; P525-I541 HydrophobicContact CB-CD1 3.65Å; P525-I541 HydrophobicContact CG-CD1 3.6Å; C539-I541 HydrophobicContact CB-CD1 4.31Å
542	P	73.3	Confident	79.3	Confident	82 Å²	82	57.9 Å²	57.9	53%	0.532	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-68.1	153.9	-179.3	28.8	-34.5	0	0	0	111.4	D464 C465 K466	D464-P542 WeakPolarHBondContact O-CD 3.27Å; D464-P542 VanDerWaalsContact O-CG 3.27Å; D464-P542 WeakPolarHBondContact O-CG 3.38Å; C465-P542 CarbonylContact C-O 3.45Å; C465-P542 WeakPolarHBondContact CA-O 3.42Å; C465-P542 HydrophobicContact CB-CG 4.47Å; C465-P542 VanDerWaalsContact CB-O 3.25Å; C465-P542 WeakPolarHBondContact CB-O 3.49Å; K466-P542 PolarHBondContact N-O 3.22Å
543	D	68.1	Low	79.1	Confident	77 Å²	77	59.8 Å²	59.8	41%	0.412	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-74.5	147	171.3	-66.8	-43.9	0	0	0	110.5	K466 A545	K466-D543 WeakPolarHBondContact CE-OD1 3.39Å; K466-D543 WeakPolarHBondContact CG-OD1 3.38Å; K466-D543 IonicContact NZ-OD1 2.78Å; K466-D543 WeakPolarHBondContact O-CA 3.41Å; D543-A545 PolarHBondContact O-N 3.39Å
544	C	67.3	Low	79	Confident	51 Å²	51	55.8 Å²	55.8	35%	0.345	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66	118.7	-177.9	-63.2	0	0	0	0	111.3	C465 K466 G546	C465-C544 VanDerWaalsContact C-SG 3.55Å; C465-C544 HydrophobicContact CB-CB 3.89Å; C465-C544 WeakPolarHBondContact CB-SG 3.44Å; C465-C544 WeakPolarHBondContact SG-CA 3.27Å; C465-C544 WeakPolarHBondContact SG-CB 3.43Å; C465-C544 CovalentContact SG-SG 2.04Å; C465-C544 PolarHBondContact SG-SG 2.69Å; K466-C544 PolarHBondContact O-N 3.19Å; K466-C544 VanDerWaalsContact O-N 3.08Å; C544-G546 PolarHBondContact O-N 2.78Å
545	A	54.3	Low	79	Confident	109 Å²	109	58.9 Å²	58.9	90%	0.901	33%	0.334	S	S	*	.			trans	-77.2	89.5	178.4	0	0	0	0	0	111.6	D543	D543-A545 PolarHBondContact O-N 3.39Å
546	G	55.4	Low	78.9	Confident	42 Å²	42	57 Å²	57	43%	0.433	33%	0.327	S	S	.	.			trans	-100.7	148.4	158.6	0	0	0	0	0	110.4	C544 D548	C544-G546 PolarHBondContact O-N 2.78Å; G546-D548 PolarHBondContact O-N 3.19Å
547	M	61.1	Low	78.3	Confident	134 Å²	134	59 Å²	59	66%	0.66	34%	0.337	S	S	*	.			trans	-75.1	67.4	162.5	-75.5	-172.7	-118.6	0	0	108.5	I659 L664	M547-I659 HydrophobicContact SD-CG2 4.27Å; M547-L664 HydrophobicContact CB-CD1 3.97Å
548	D	78.3	Confident	77.8	Confident	103 Å²	103	61.1 Å²	61.1	55%	0.551	34%	0.344	S	S	*	.			trans	-70.7	157.9	177	-70.7	-28.2	0	0	0	110.1	G546 T551	G546-D548 PolarHBondContact O-N 3.19Å; D548-T551 PolarHBondContact O-OG1 3.18Å
549	C	88.4	Confident	77.2	Confident	51 Å²	51	61.7 Å²	61.7	35%	0.345	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	150.2	176.4	60.5	0	0	0	0	110.6	T551 P665 C667	C549-T551 PolarHBondContact O-N 2.8Å; C549-P665 CarbonylContact C-O 3.48Å; C549-P665 VanDerWaalsContact CA-O 3.29Å; C549-P665 WeakPolarHBondContact CA-O 3.15Å; C549-C667 HydrophobicContact CB-CB 4.05Å; C549-C667 WeakPolarHBondContact CB-SG 3.48Å; C549-C667 PolarHBondContact O-SG 2.99Å; C549-C667 WeakPolarHBondContact SG-CA 3.34Å; C549-C667 WeakPolarHBondContact SG-CB 3.42Å; C549-C667 CovalentContact SG-SG 2.05Å; C549-C667 PolarHBondContact SG-SG 3.32Å
550	G	89.9	Confident	76.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	7.4	170.4	0	0	0	0	0	115.6	P552 W576 P665 Y754	G550-P552 WeakPolarHBondContact O-CD 2.98Å; G550-W576 VanDerWaalsContact CA-CZ3 3.5Å; G550-P665 PolarHBondContact N-O 3.03Å; G550-Y754 WeakPolarHBondContact CA-O 3.44Å; G550-Y754 WeakPolarHBondContact O-CD2 3.26Å; G550-Y754 PolarHBondContact O-N 3.09Å
551	T	88.3	Confident	74.8	Confident	45 Å²	45	59.8 Å²	59.8	28%	0.276	35%	0.345	S	S	.	.			trans	-111.1	81.8	179.1	56.5	0	0	0	0	110.8	D548 C549 L664 K753	D548-T551 PolarHBondContact O-OG1 3.18Å; C549-T551 PolarHBondContact O-N 2.8Å; T551-L664 WeakPolarHBondContact O-CD2 3.31Å; T551-K753 HydrophobicContact CG2-CB 4.15Å
552	P	86.6	Confident	73.2	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.019	38%	0.377	C	S	.	.			trans	-68	139.2	-177.4	30.3	-35.4	0	0	0	110.8	G550 S573 P575 W576 Y754	G550-P552 WeakPolarHBondContact O-CD 2.98Å; P552-S573 VanDerWaalsContact CB-O 3.32Å; P552-S573 WeakPolarHBondContact CB-O 3.34Å; P552-P575 HydrophobicContact CB-CG 3.93Å; P552-W576 HydrophobicContact CB-CH2 4.47Å; P552-W576 HydrophobicContact CB-CZ3 4.37Å; P552-W576 HydrophobicContact CG-CH2 4.1Å; P552-W576 HydrophobicContact CG-CZ3 4.4Å; P552-Y754 HydrophobicContact CG-CD2 4.19Å; P552-Y754 HydrophobicContact CG-CE2 4.16Å
553	V	82.3	Confident	72	Confident	94 Å²	94	67.8 Å²	67.8	57%	0.57	37%	0.372	S	S	*	.	S	Bend	trans	-64.7	-47.5	174.8	177.6	0	0	0	0	109.7	D661	V553-D661 HydrophobicContact CB-CB 4.25Å; V553-D661 HydrophobicContact CG1-CB 4.45Å; V553-D661 HydrophobicContact CG2-CB 3.97Å
554	Y	83	Confident	71.1	Confident	75 Å²	75	69.2 Å²	69.2	29%	0.294	38%	0.383	S	S	.	.	S	Bend	trans	-84.1	117.1	173.5	-55.7	-77	0	0	0	109.6	H572 S573 D661 K662	Y554-H572 HydrophobicContact CD2-CB 3.66Å; Y554-H572 HydrophobicContact CE2-CB 4Å; Y554-H572 HydrophobicContact CG-CB 4.49Å; Y554-S573 WeakPolarHBondContact O-CA 3.24Å; Y554-S573 VanDerWaalsContact O-CB 3.25Å; Y554-S573 WeakPolarHBondContact O-CB 3.27Å; Y554-D661 HydrophobicContact CE2-CB 4.32Å; Y554-D661 PolarHBondContact OH-OD2 2.82Å; Y554-K662 HydrophobicContact CE2-CG 4.21Å
555	K	82.6	Confident	70.7	Confident	126 Å²	126	67.7 Å²	67.7	55%	0.548	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71.5	136	-179.3	-59.7	-57.4	-174.9	-171.9	0	111.6	K570	K555-K570 WeakPolarHBondContact O-CD 3.4Å
556	P	84.9	Confident	71.5	Confident	13 Å²	13	63 Å²	63	8%	0.084	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-62.7	156.6	174.8	-23.9	34.3	0	0	0	113.2	R558 W574 Y754	P556-R558 HydrophobicContact CB-CG 4.29Å; P556-R558 PolarHBondContact O-N 3.45Å; P556-W574 HydrophobicContact CB-CH2 3.97Å; P556-W574 HydrophobicContact CB-CZ2 3.38Å; P556-W574 HydrophobicContact CG-CD2 4.14Å; P556-W574 HydrophobicContact CG-CE3 4.27Å; P556-W574 HydrophobicContact CG-CH2 3.76Å; P556-W574 HydrophobicContact CG-CZ2 3.6Å; P556-W574 HydrophobicContact CG-CZ3 4.07Å; P556-Y754 HydrophobicContact CG-CE2 4.11Å
557	K	78.4	Confident	72.5	Confident	76 Å²	76	62.1 Å²	62.1	33%	0.33	33%	0.325	S	S	.	.			trans	-69.8	-20.3	174	-65.7	-175.9	-175.3	168.8	0	111.9	P364 E568 K570 E700	P364-K557 VanDerWaalsContact CG-O 3.28Å; P364-K557 WeakPolarHBondContact CG-O 3.28Å; K557-E568 WeakPolarHBondContact CD-O 3.34Å; K557-E568 WeakPolarHBondContact CE-O 3.41Å; K557-E568 PolarHBondContact NZ-O 3.41Å; K557-K570 HydrophobicContact CG-CB 4.3Å; K557-E700 VanDerWaalsContact C-OE1 3.3Å; K557-E700 WeakPolarHBondContact CA-OE1 3.31Å; K557-E700 WeakPolarHBondContact CB-OE1 3.44Å; K557-E700 PolarHBondContact N-OE1 3.02Å
558	R	77.4	Confident	73.7	Confident	55 Å²	55	59.5 Å²	59.5	21%	0.208	31%	0.311	C	S	.	.			trans	55.6	51.1	-178.5	-67.7	-178	178.7	173.8	-3.9	111.6	I382 P556 F560 Y682 E700 H749 Y754	I382-R558 HydrophobicContact CD1-CB 3.93Å; P556-R558 HydrophobicContact CB-CG 4.29Å; P556-R558 PolarHBondContact O-N 3.45Å; R558-F560 PolarHBondContact O-N 2.98Å; R558-Y682 HydrophobicContact CB-CE1 4.05Å; R558-Y682 WeakPolarHBondContact CB-OH 3.39Å; R558-Y682 HydrophobicContact CG-CE1 4.5Å; R558-E700 WeakPolarHBondContact CA-OE1 3.38Å; R558-E700 PolarHBondContact N-OE1 3.3Å; R558-H749 PolarHBondContact NH2-NE2 3.04Å; R558-Y754 PolarHBondContact NE-OH 3.22Å
559	C	74	Confident	74.1	Confident	16 Å²	16	54.6 Å²	54.6	11%	0.108	29%	0.285	C	S	.	.			trans	-65	91.3	-179.2	-68.7	0	0	0	0	112.6	C567 E700 G702	C559-C567 HydrophobicContact CB-CB 3.77Å; C559-C567 WeakPolarHBondContact CB-SG 3.35Å; C559-C567 WeakPolarHBondContact SG-CB 3.45Å; C559-C567 CovalentContact SG-SG 2Å; C559-C567 PolarHBondContact SG-SG 3.21Å; C559-E700 HydrophobicContact CB-CG 4.23Å; C559-E700 PolarHBondContact N-OE1 2.87Å; C559-G702 WeakPolarHBondContact O-CA 3.12Å; C559-G702 PolarHBondContact O-N 3.47Å
560	F	64.1	Low	74.2	Confident	68 Å²	68	54.3 Å²	54.3	30%	0.298	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-111.9	128.4	-178.9	-169.2	-93.9	0	0	0	110.4	R558 E680	R558-F560 PolarHBondContact O-N 2.98Å; F560-E680 HydrophobicContact CD2-CB 4.04Å; F560-E680 HydrophobicContact CD2-CG 4.02Å; F560-E680 HydrophobicContact CE1-CG 4.35Å; F560-E680 WeakPolarHBondContact CE1-OE1 3.37Å; F560-E680 HydrophobicContact CE2-CB 3.66Å; F560-E680 HydrophobicContact CE2-CG 3.37Å; F560-E680 HydrophobicContact CZ-CB 4.36Å; F560-E680 HydrophobicContact CZ-CG 3.56Å; F560-E680 WeakPolarHBondContact CZ-OE1 3.26Å
561	G	54.3	Low	74.3	Confident	28 Å²	28	57 Å²	57	29%	0.289	30%	0.296	S	S	.	.	S	Bend	trans	108.9	-179.4	-175.3	0	0	0	0	0	113.7	V563 I735	G561-V563 PolarHBondContact O-N 3.46Å; G561-I735 WeakPolarHBondContact O-CD1 3Å
562	R	45.1	Very low	74.5	Confident	187 Å²	187	56.3 Å²	56.3	71%	0.706	29%	0.289	S	S	*	.			trans	-67.3	48.8	-164.8	-157.7	-170.6	-174.8	-178.1	1.5	115.5	V564	R562-V564 PolarHBondContact O-N 2.75Å
563	V	49	Very low	74.7	Confident	71 Å²	71	56.1 Å²	56.1	43%	0.43	29%	0.288	S	S	.	.			trans	-82.7	97.6	160.1	-167.3	0	0	0	0	107.3	G561 G565 G566 I735	G561-V563 PolarHBondContact O-N 3.46Å; V563-G565 PolarHBondContact O-N 2.73Å; V563-G565 VanDerWaalsContact O-N 3.11Å; V563-G566 WeakPolarHBondContact CG1-O 3.33Å; V563-G566 PolarHBondContact O-N 2.57Å; V563-I735 WeakPolarHBondContact O-CD1 2.95Å; V563-I735 WeakPolarHBondContact O-CG1 3Å
564	V	49.4	Very low	75.3	Confident	107 Å²	107	51.9 Å²	51.9	65%	0.648	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	117.7	178	177	0	0	0	0	108.5	R562	R562-V564 PolarHBondContact O-N 2.75Å
565	G	57.2	Low	75.9	Confident	19 Å²	19	48.5 Å²	48.5	20%	0.196	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	11.7	-177	0	0	0	0	0	116.7	V563	V563-G565 PolarHBondContact O-N 2.73Å; V563-G565 VanDerWaalsContact O-N 3.11Å
566	G	71.1	Confident	76.6	Confident	11 Å²	11	42.5 Å²	42.5	11%	0.113	22%	0.223	C	C	.	.			trans	72.6	-173	-178	0	0	0	0	0	112.9	V563 E700	V563-G566 WeakPolarHBondContact CG1-O 3.33Å; V563-G566 PolarHBondContact O-N 2.57Å; G566-E700 CarbonylContact C-O 3.58Å; G566-E700 VanDerWaalsContact CA-O 3.3Å; G566-E700 WeakPolarHBondContact CA-O 3.23Å
567	C	77.3	Confident	77.2	Confident	22 Å²	22	42.2 Å²	42.2	15%	0.149	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	161.7	175.1	77.6	0	0	0	0	110.3	C559 A569 K699 E700	C559-C567 HydrophobicContact CB-CB 3.77Å; C559-C567 WeakPolarHBondContact CB-SG 3.35Å; C559-C567 WeakPolarHBondContact SG-CB 3.45Å; C559-C567 CovalentContact SG-SG 2Å; C559-C567 PolarHBondContact SG-SG 3.21Å; C567-A569 PolarHBondContact O-N 2.76Å; C567-K699 CarbonylContact O-C 3.52Å; C567-K699 WeakPolarHBondContact O-CA 2.99Å; C567-K699 WeakPolarHBondContact O-CB 3.33Å; C567-E700 PolarHBondContact N-O 3.49Å; C567-E700 PolarHBondContact O-N 2.95Å; C567-E700 WeakPolarHBondContact SG-CG 3.44Å
568	E	85.9	Confident	78.1	Confident	80 Å²	80	38.6 Å²	38.6	37%	0.374	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	122.3	168.6	-173.2	-176.2	166	0	0	109.5	K557 H622 V697	K557-E568 WeakPolarHBondContact CD-O 3.34Å; K557-E568 WeakPolarHBondContact CE-O 3.41Å; K557-E568 PolarHBondContact NZ-O 3.41Å; E568-H622 IonicContact OE1-CD2 3.64Å; E568-H622 IonicContact OE1-CE1 3.8Å; E568-H622 IonicContact OE1-NE2 2.91Å; E568-H622 PolarHBondContact OE1-NE2 3.46Å; E568-V697 HydrophobicContact CG-CB 4.17Å; E568-V697 HydrophobicContact CG-CG2 3.87Å
569	A	87.6	Confident	78.9	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63.3	156.1	176.6	0	0	0	0	0	110.5	C567 H622 L698 E700	C567-A569 PolarHBondContact O-N 2.76Å; A569-H622 PolarHBondContact O-CE1 2.93Å; A569-L698 HydrophobicContact CB-CB 4.47Å; A569-L698 HydrophobicContact CB-CD2 4.3Å; A569-L698 HydrophobicContact CB-CG 4.12Å; A569-L698 WeakPolarHBondContact CB-O 3.26Å; A569-L698 PolarHBondContact N-O 3.2Å; A569-E700 HydrophobicContact CB-CB 4.18Å; A569-E700 HydrophobicContact CB-CG 4.12Å
570	K	90.1	Very high	79.9	Confident	44 Å²	44	35.2 Å²	35.2	19%	0.191	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-70.1	135.1	169	-174.5	178.1	-173.7	170.6	0	108.7	D368 K555 K557 H572 S573	D368-K570 IonicContact OD1-NZ 3.58Å; D368-K570 PolarHBondContact OD1-NZ 3.36Å; D368-K570 IonicContact OD2-NZ 2.9Å; K555-K570 WeakPolarHBondContact O-CD 3.4Å; K557-K570 HydrophobicContact CG-CB 4.3Å; K570-H572 PolarHBondContact O-N 3.21Å; K570-S573 WeakPolarHBondContact O-CB 3.35Å; K570-S573 PolarHBondContact O-N 3.09Å; K570-S573 PolarHBondContact O-OG 3.26Å
571	P	91.3	Very high	81.3	Confident	58 Å²	58	33 Å²	33	38%	0.377	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	127.8	177.8	-28.8	34.7	0	0	0	111.5	S573 H622	P571-S573 PolarHBondContact O-N 3.48Å; P571-H622 HydrophobicContact CB-CB 4.22Å
572	H	92.2	Very high	83.1	Confident	29 Å²	29	33.4 Å²	33.4	13%	0.134	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	12.5	178.8	-43	-59.5	0	0	0	116.2	Y554 K570 W574 G620 S630 K662	Y554-H572 HydrophobicContact CD2-CB 3.66Å; Y554-H572 HydrophobicContact CE2-CB 4Å; Y554-H572 HydrophobicContact CG-CB 4.49Å; K570-H572 PolarHBondContact O-N 3.21Å; H572-W574 PolarHBondContact O-N 2.89Å; H572-G620 PolarHBondContact CE1-O 2.77Å; H572-S630 PolarHBondContact CE1-OG 3.21Å; H572-K662 HydrophobicContact CB-CB 4.14Å; H572-K662 HydrophobicContact CB-CG 3.96Å
573	S	91.6	Very high	85.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-73.1	-13.1	175.2	66	0	0	0	0	114.7	P552 Y554 K570 P571 P575	P552-S573 VanDerWaalsContact CB-O 3.32Å; P552-S573 WeakPolarHBondContact CB-O 3.34Å; Y554-S573 WeakPolarHBondContact O-CA 3.24Å; Y554-S573 VanDerWaalsContact O-CB 3.25Å; Y554-S573 WeakPolarHBondContact O-CB 3.27Å; K570-S573 WeakPolarHBondContact O-CB 3.35Å; K570-S573 PolarHBondContact O-N 3.09Å; K570-S573 PolarHBondContact O-OG 3.26Å; P571-S573 PolarHBondContact O-N 3.48Å; S573-P575 VanDerWaalsContact C-CD 3.41Å; S573-P575 WeakPolarHBondContact O-CD 3.47Å
574	W	95.4	Very high	87.1	Confident	5 Å²	5	35.6 Å²	35.6	2%	0.019	19%	0.189	C	C	.	.	S	Bend	trans	-122.1	66.1	176	-56.6	106.2	0	0	0	110.1	P556 H572 W576 Q577 Y682 T684 L698 E700 V747 Y754	P556-W574 HydrophobicContact CB-CH2 3.97Å; P556-W574 HydrophobicContact CB-CZ2 3.38Å; P556-W574 HydrophobicContact CG-CD2 4.14Å; P556-W574 HydrophobicContact CG-CE3 4.27Å; P556-W574 HydrophobicContact CG-CH2 3.76Å; P556-W574 HydrophobicContact CG-CZ2 3.6Å; P556-W574 HydrophobicContact CG-CZ3 4.07Å; H572-W574 PolarHBondContact O-N 2.89Å; W574-W576 AromaticContact CE3-CE2 3.86Å; W574-W576 HydrophobicContact CE3-CH2 4.26Å; W574-W576 AromaticContact CE3-CZ2 3.38Å; W574-W576 HydrophobicContact CE3-CZ2 3.38Å; W574-W576 AromaticContact CE3-NE1 3.93Å; W574-W576 AromaticContact CZ3-CZ2 3.73Å; W574-W576 HydrophobicContact CZ3-CZ2 3.73Å; W574-W576 PolarHBondContact O-N 2.77Å; W574-Q577 HydrophobicContact CB-CB 4.41Å; W574-Q577 WeakPolarHBondContact O-CB 3.35Å; W574-Q577 PolarHBondContact O-N 3.21Å; W574-Y682 HydrophobicContact CH2-CD2 4.02Å; W574-Y682 AromaticContact CH2-CG 3.86Å; W574-Y682 HydrophobicContact CH2-CG 3.86Å; W574-Y682 HydrophobicContact CZ2-CG 4.14Å; W574-T684 HydrophobicContact CB-CG2 4.34Å; W574-T684 HydrophobicContact CD2-CG2 3.66Å; W574-T684 HydrophobicContact CE3-CG2 4.4Å; W574-T684 HydrophobicContact CG-CG2 3.62Å; W574-T684 HydrophobicContact CZ2-CG2 4.25Å; W574-L698 HydrophobicContact CB-CD2 4.49Å; W574-E700 HydrophobicContact CZ2-CB 4.45Å; W574-E700 PolarHBondContact NE1-OE2 3.41Å; W574-V747 HydrophobicContact CE3-CG2 3.96Å; W574-V747 HydrophobicContact CH2-CG2 4.03Å; W574-V747 HydrophobicContact CZ3-CG2 3.37Å; W574-Y754 HydrophobicContact CH2-CD1 4.04Å; W574-Y754 AromaticContact CH2-CE1 3.52Å; W574-Y754 HydrophobicContact CH2-CE1 3.52Å; W574-Y754 AromaticContact CH2-CZ 3.91Å; W574-Y754 AromaticContact CZ3-CD1 3.62Å; W574-Y754 HydrophobicContact CZ3-CD1 3.62Å; W574-Y754 HydrophobicContact CZ3-CD2 4.47Å; W574-Y754 AromaticContact CZ3-CE1 3.57Å; W574-Y754 HydrophobicContact CZ3-CE1 3.57Å; W574-Y754 HydrophobicContact CZ3-CE2 4.43Å; W574-Y754 HydrophobicContact CZ3-CG 4.08Å; W574-Y754 AromaticContact CZ3-CZ 3.99Å
575	P	95.8	Very high	88.9	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.026	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.3	-165.9	30.7	-39.1	0	0	0	114.6	P552 S573 V663 L664	P552-P575 HydrophobicContact CB-CG 3.93Å; S573-P575 VanDerWaalsContact C-CD 3.41Å; S573-P575 WeakPolarHBondContact O-CD 3.47Å; P575-V663 WeakPolarHBondContact O-CA 3.18Å; P575-L664 CarbonylContact C-O 3.52Å; P575-L664 HydrophobicContact CB-CB 3.89Å; P575-L664 HydrophobicContact CG-CB 3.75Å; P575-L664 HydrophobicContact CG-CD2 4.25Å; P575-L664 PolarHBondContact O-N 2.91Å
576	W	97.6	Very high	90.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.2	171.9	44.1	81.6	0	0	0	113.6	G550 P552 W574 I578 T592 L593 L664 V666 V747 Y754	G550-W576 VanDerWaalsContact CA-CZ3 3.5Å; P552-W576 HydrophobicContact CB-CH2 4.47Å; P552-W576 HydrophobicContact CB-CZ3 4.37Å; P552-W576 HydrophobicContact CG-CH2 4.1Å; P552-W576 HydrophobicContact CG-CZ3 4.4Å; W574-W576 AromaticContact CE3-CE2 3.86Å; W574-W576 HydrophobicContact CE3-CH2 4.26Å; W574-W576 AromaticContact CE3-CZ2 3.38Å; W574-W576 HydrophobicContact CE3-CZ2 3.38Å; W574-W576 AromaticContact CE3-NE1 3.93Å; W574-W576 AromaticContact CZ3-CZ2 3.73Å; W574-W576 HydrophobicContact CZ3-CZ2 3.73Å; W574-W576 PolarHBondContact O-N 2.77Å; W576-I578 PolarHBondContact O-N 3.12Å; W576-T592 HydrophobicContact CB-CG2 4.04Å; W576-T592 HydrophobicContact CG-CG2 4.2Å; W576-T592 WeakPolarHBondContact O-CA 3.3Å; W576-L593 HydrophobicContact CB-CB 4.4Å; W576-L593 PolarHBondContact O-N 3.37Å; W576-L664 WeakPolarHBondContact CA-O 2.94Å; W576-L664 VanDerWaalsContact CB-O 3.28Å; W576-L664 WeakPolarHBondContact CB-O 3.23Å; W576-L664 PolarHBondContact N-O 2.83Å; W576-L664 VanDerWaalsContact N-O 3.14Å; W576-V666 HydrophobicContact CB-CB 3.91Å; W576-V666 HydrophobicContact CB-CG1 4.46Å; W576-V666 HydrophobicContact CD2-CB 3.68Å; W576-V666 HydrophobicContact CD2-CG2 3.95Å; W576-V666 HydrophobicContact CE3-CB 4.02Å; W576-V666 HydrophobicContact CE3-CG2 4.31Å; W576-V666 HydrophobicContact CG-CB 3.65Å; W576-V666 HydrophobicContact CG-CG1 4.46Å; W576-V666 HydrophobicContact CG-CG2 4.28Å; W576-V666 HydrophobicContact CZ2-CG2 4.26Å; W576-V747 HydrophobicContact CZ2-CG1 4.47Å; W576-V747 HydrophobicContact CZ2-CG2 4.43Å; W576-Y754 VanDerWaalsContact CH2-CB 3.44Å; W576-Y754 AromaticContact CH2-CD2 3.75Å; W576-Y754 HydrophobicContact CH2-CD2 3.75Å; W576-Y754 AromaticContact CH2-CG 3.78Å; W576-Y754 HydrophobicContact CH2-CG 3.78Å; W576-Y754 HydrophobicContact CZ2-CD2 4.23Å; W576-Y754 AromaticContact CZ2-CG 3.87Å; W576-Y754 HydrophobicContact CZ2-CG 3.87Å
577	Q	97.3	Very high	91.3	Very high	7 Å²	7	36.2 Å²	36.2	3%	0.033	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	131.1	178.3	-179.7	68.2	52.5	0	0	109.9	W574 T684 W686 L698	W574-Q577 HydrophobicContact CB-CB 4.41Å; W574-Q577 WeakPolarHBondContact O-CB 3.35Å; W574-Q577 PolarHBondContact O-N 3.21Å; Q577-T684 PolarHBondContact OE1-O 3.06Å; Q577-T684 VanDerWaalsContact OE1-O 3.1Å; Q577-T684 PolarHBondContact OE1-OG1 3.23Å; Q577-W686 HydrophobicContact CG-CH2 3.55Å; Q577-W686 HydrophobicContact CG-CZ3 3.62Å; Q577-L698 HydrophobicContact CG-CD1 3.9Å; Q577-L698 HydrophobicContact CG-CD2 4.36Å
578	I	96.3	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	155.3	170.9	74.7	85.2	0	0	0	111.2	W576 L580 G591 L593 V599 V617 V618 L619	W576-I578 PolarHBondContact O-N 3.12Å; I578-L580 HydrophobicContact CD1-CB 3.88Å; I578-G591 VanDerWaalsContact CG1-CA 3.42Å; I578-G591 PolarHBondContact N-O 2.96Å; I578-G591 VanDerWaalsContact N-O 3.13Å; I578-G591 PolarHBondContact O-N 3.07Å; I578-L593 HydrophobicContact CG2-CB 4.34Å; I578-V599 HydrophobicContact CD1-CG1 4.14Å; I578-V599 HydrophobicContact CG1-CG1 3.76Å; I578-V599 HydrophobicContact CG2-CG2 4.29Å; I578-V617 HydrophobicContact CB-CG1 3.91Å; I578-V617 HydrophobicContact CD1-CG1 4.27Å; I578-V617 HydrophobicContact CD1-CG2 4.46Å; I578-V617 HydrophobicContact CG1-CG1 4.26Å; I578-V617 HydrophobicContact CG2-CG1 4.1Å; I578-V618 WeakPolarHBondContact CA-O 3.36Å; I578-L619 HydrophobicContact CG2-CD2 3.4Å; I578-L619 VanDerWaalsContact CG2-CD2 3.4Å; I578-L619 HydrophobicContact CG2-CG 3.8Å
579	S	95.3	Very high	92	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112	168.4	174.2	0	0	0	0	108.1	R581 H587 V618	S579-R581 PolarHBondContact OG-NE 3.37Å; S579-R581 VanDerWaalsContact OG-NE 3.07Å; S579-H587 PolarHBondContact OG-ND1 3.19Å; S579-V618 PolarHBondContact N-O 2.92Å; S579-V618 PolarHBondContact O-N 2.71Å
580	L	94.6	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.8	173.2	-170.4	63	0	0	0	108.2	I578 F588 C589 T601 C605 L606 V617 L651	I578-L580 HydrophobicContact CD1-CB 3.88Å; L580-F588 HydrophobicContact CB-CZ 4.44Å; L580-F588 HydrophobicContact CD2-CE1 4.43Å; L580-F588 HydrophobicContact CD2-CE2 4.12Å; L580-F588 HydrophobicContact CD2-CZ 3.64Å; L580-F588 HydrophobicContact CG-CE1 3.97Å; L580-F588 HydrophobicContact CG-CE2 4.48Å; L580-F588 HydrophobicContact CG-CZ 3.67Å; L580-F588 WeakPolarHBondContact O-CD1 3.42Å; L580-F588 PolarHBondContact O-N 3.02Å; L580-C589 WeakPolarHBondContact CA-O 3.35Å; L580-C589 HydrophobicContact CB-CB 4.11Å; L580-C589 VanDerWaalsContact CB-O 3.31Å; L580-C589 WeakPolarHBondContact CB-O 3.4Å; L580-C589 HydrophobicContact CD2-CB 4.14Å; L580-C589 PolarHBondContact N-O 2.99Å; L580-T601 HydrophobicContact CD2-CG2 4.47Å; L580-C605 HydrophobicContact CD2-CB 4.15Å; L580-L606 HydrophobicContact CD2-CD2 4.27Å; L580-V617 HydrophobicContact CD1-CG2 3.94Å; L580-L651 HydrophobicContact CD1-CD1 3.7Å; L580-L651 HydrophobicContact CD2-CD1 4.31Å
581	R	93.4	Very high	92.5	Very high	20 Å²	20	31.5 Å²	31.5	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.5	-173.2	-52.7	-165.1	178.7	-157.1	0.4	111.9	S579 G585 I586 H587 Y615 Q616 V618 I621 E624	S579-R581 PolarHBondContact OG-NE 3.37Å; S579-R581 VanDerWaalsContact OG-NE 3.07Å; R581-G585 WeakPolarHBondContact CD-O 3.28Å; R581-G585 PolarHBondContact NH1-O 3.27Å; R581-I586 CarbonylContact C-O 3.59Å; R581-I586 WeakPolarHBondContact CA-O 3.37Å; R581-I586 WeakPolarHBondContact CB-O 3.4Å; R581-H587 HydrophobicContact CG-CB 4.4Å; R581-Y615 CarbonylContact O-C 3.58Å; R581-Y615 VanDerWaalsContact O-CA 3.29Å; R581-Y615 WeakPolarHBondContact O-CA 3.46Å; R581-Q616 HydrophobicContact CB-CG 3.84Å; R581-Q616 PolarHBondContact N-O 2.04Å; R581-Q616 PolarHBondContact O-N 3.46Å; R581-V618 HydrophobicContact CG-CG2 4.14Å; R581-I621 VanDerWaalsContact NH2-CD1 3.28Å; R581-E624 VanDerWaalsContact CZ-O 3.26Å; R581-E624 PolarHBondContact NH1-O 3.36Å; R581-E624 PolarHBondContact NH2-O 3.35Å
582	T	91.8	Very high	92.8	Very high	38 Å²	38	28.8 Å²	28.8	23%	0.233	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	165.7	168.3	63.9	0	0	0	0	110.4	R584 G585 I586 F588 A614 Q616	T582-R584 PolarHBondContact O-N 2.78Å; T582-R584 PolarHBondContact OG1-N 3.44Å; T582-G585 PolarHBondContact O-N 3.24Å; T582-I586 PolarHBondContact N-O 3.36Å; T582-I586 PolarHBondContact OG1-N 2.82Å; T582-I586 PolarHBondContact OG1-O 3.14Å; T582-F588 HydrophobicContact CG2-CD1 3.85Å; T582-F588 HydrophobicContact CG2-CE1 4.17Å; T582-A614 CarbonylContact C-O 3.52Å; T582-Q616 PolarHBondContact O-NE2 3.09Å
583	S	89.7	Confident	93.1	Very high	83 Å²	83	27.4 Å²	27.4	58%	0.58	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.1	172.3	59.3	0	0	0	0	114	G585 A614	S583-G585 VanDerWaalsContact C-N 3.33Å; S583-A614 PolarHBondContact N-O 3.3Å
584	R	88.9	Confident	93.3	Very high	220 Å²	220	28.3 Å²	28.3	83%	0.83	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.4	174.1	-62.4	-176.3	-175.2	163.1	1.3	114	T582 I586	T582-R584 PolarHBondContact O-N 2.78Å; T582-R584 PolarHBondContact OG1-N 3.44Å; R584-I586 HydrophobicContact CB-CD1 4.37Å; R584-I586 HydrophobicContact CB-CG1 4.4Å
585	G	86.9	Confident	93.2	Very high	27 Å²	27	31.9 Å²	31.9	28%	0.278	16%	0.161	S	C	.	.	S	Bend	trans	82.8	12.2	179.2	0	0	0	0	0	115.2	R581 T582 S583 Q616	R581-G585 WeakPolarHBondContact CD-O 3.28Å; R581-G585 PolarHBondContact NH1-O 3.27Å; T582-G585 PolarHBondContact O-N 3.24Å; S583-G585 VanDerWaalsContact C-N 3.33Å; G585-Q616 VanDerWaalsContact CA-NE2 3.35Å
586	I	88.5	Confident	92.8	Very high	103 Å²	103	33.5 Å²	33.5	53%	0.528	17%	0.171	S	C	.	.			trans	-86.7	124.7	178.1	-55.1	171	0	0	0	109.2	R581 T582 R584	R581-I586 CarbonylContact C-O 3.59Å; R581-I586 WeakPolarHBondContact CA-O 3.37Å; R581-I586 WeakPolarHBondContact CB-O 3.4Å; T582-I586 PolarHBondContact N-O 3.36Å; T582-I586 PolarHBondContact OG1-N 2.82Å; T582-I586 PolarHBondContact OG1-O 3.14Å; R584-I586 HydrophobicContact CB-CD1 4.37Å; R584-I586 HydrophobicContact CB-CG1 4.4Å
587	H	89.8	Confident	92.5	Very high	21 Å²	21	36.2 Å²	36.2	10%	0.097	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.4	173.7	172	66.5	0	0	0	111.3	S579 R581 C589 E624 W686	S579-H587 PolarHBondContact OG-ND1 3.19Å; R581-H587 HydrophobicContact CG-CB 4.4Å; H587-C589 VanDerWaalsContact CE1-C 3.48Å; H587-C589 PolarHBondContact CE1-O 3.34Å; H587-C589 PolarHBondContact ND1-O 3.48Å; H587-E624 HydrophobicContact CB-CG 3.89Å; H587-E624 WeakPolarHBondContact CB-OE1 3.45Å; H587-E624 IonicContact CD2-OE1 3.69Å; H587-E624 IonicContact CG-OE1 3.82Å; H587-W686 AromaticContact CE1-CE3 3.97Å
588	F	87.3	Confident	92.5	Very high	40 Å²	40	36.1 Å²	36.1	18%	0.175	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	-20.3	177.8	71.7	-87.2	0	0	0	114.3	L580 T582 C605 Y615	L580-F588 HydrophobicContact CB-CZ 4.44Å; L580-F588 HydrophobicContact CD2-CE1 4.43Å; L580-F588 HydrophobicContact CD2-CE2 4.12Å; L580-F588 HydrophobicContact CD2-CZ 3.64Å; L580-F588 HydrophobicContact CG-CE1 3.97Å; L580-F588 HydrophobicContact CG-CE2 4.48Å; L580-F588 HydrophobicContact CG-CZ 3.67Å; L580-F588 WeakPolarHBondContact O-CD1 3.42Å; L580-F588 PolarHBondContact O-N 3.02Å; T582-F588 HydrophobicContact CG2-CD1 3.85Å; T582-F588 HydrophobicContact CG2-CE1 4.17Å; F588-C605 HydrophobicContact CE2-CB 4.13Å; F588-C605 VanDerWaalsContact CE2-O 3.28Å; F588-C605 WeakPolarHBondContact CE2-O 3.34Å; F588-Y615 AromaticContact CE1-CD1 3.9Å; F588-Y615 HydrophobicContact CE1-CD1 3.9Å; F588-Y615 HydrophobicContact CE1-CE1 4.17Å; F588-Y615 HydrophobicContact CE2-CE1 4.43Å; F588-Y615 AromaticContact CZ-CD1 3.6Å; F588-Y615 HydrophobicContact CZ-CD1 3.6Å; F588-Y615 AromaticContact CZ-CE1 3.57Å; F588-Y615 HydrophobicContact CZ-CE1 3.57Å
589	C	90.9	Very high	92.6	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.034	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	157.9	175.4	-86.7	0	0	0	0	110.9	L580 H587 C605 S742	L580-C589 WeakPolarHBondContact CA-O 3.35Å; L580-C589 HydrophobicContact CB-CB 4.11Å; L580-C589 VanDerWaalsContact CB-O 3.31Å; L580-C589 WeakPolarHBondContact CB-O 3.4Å; L580-C589 HydrophobicContact CD2-CB 4.14Å; L580-C589 PolarHBondContact N-O 2.99Å; H587-C589 VanDerWaalsContact CE1-C 3.48Å; H587-C589 PolarHBondContact CE1-O 3.34Å; H587-C589 PolarHBondContact ND1-O 3.48Å; C589-C605 HydrophobicContact CB-CB 3.79Å; C589-C605 WeakPolarHBondContact CB-SG 3.46Å; C589-C605 WeakPolarHBondContact SG-CB 3.13Å; C589-C605 CovalentContact SG-SG 2.04Å; C589-C605 PolarHBondContact SG-SG 3.2Å; C589-S742 WeakPolarHBondContact CB-O 2.94Å
590	G	92.6	Very high	92.8	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-173.6	165.4	0	0	0	0	0	113.1	T601 S742	G590-T601 PolarHBondContact O-OG1 3.34Å; G590-S742 PolarHBondContact N-O 3.12Å
591	G	95.3	Very high	92.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	177.9	175.8	0	0	0	0	0	110	I578 V600 G743	I578-G591 VanDerWaalsContact CG1-CA 3.42Å; I578-G591 PolarHBondContact N-O 2.96Å; I578-G591 VanDerWaalsContact N-O 3.13Å; I578-G591 PolarHBondContact O-N 3.07Å; G591-V600 CarbonylContact C-O 3.54Å; G591-V600 VanDerWaalsContact CA-O 3.26Å; G591-V600 WeakPolarHBondContact CA-O 3.48Å; G591-G743 WeakPolarHBondContact CA-O 3.18Å; G591-G743 PolarHBondContact N-O 2.74Å
592	T	98.3	Very high	92.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	126	-177.1	-44	0	0	0	0	111.1	W576 I594 V599 V600 V666 P745 L756	W576-T592 HydrophobicContact CB-CG2 4.04Å; W576-T592 HydrophobicContact CG-CG2 4.2Å; W576-T592 WeakPolarHBondContact O-CA 3.3Å; T592-I594 PolarHBondContact O-N 3.34Å; T592-V599 CarbonylContact O-C 3.5Å; T592-V599 VanDerWaalsContact O-CA 3.28Å; T592-V599 WeakPolarHBondContact O-CA 3.43Å; T592-V600 PolarHBondContact N-O 3.44Å; T592-V600 PolarHBondContact O-N 2.65Å; T592-V666 HydrophobicContact CG2-CB 4.24Å; T592-V666 HydrophobicContact CG2-CG1 3.44Å; T592-V666 VanDerWaalsContact CG2-CG1 3.44Å; T592-P745 HydrophobicContact CG2-CB 4.06Å; T592-P745 WeakPolarHBondContact OG1-CB 3.39Å; T592-L756 HydrophobicContact CG2-CD1 4.15Å; T592-L756 HydrophobicContact CG2-CD2 3.98Å
593	L	98.1	Very high	93	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.4	171.4	-170.9	72.8	0	0	0	109.7	W576 I578 H595 V599 L619 L653 A657 I659 V663 P665 V666	W576-L593 HydrophobicContact CB-CB 4.4Å; W576-L593 PolarHBondContact O-N 3.37Å; I578-L593 HydrophobicContact CG2-CB 4.34Å; L593-H595 WeakPolarHBondContact CD1-O 3.47Å; L593-V599 HydrophobicContact CD1-CG2 3.95Å; L593-L619 HydrophobicContact CB-CD2 4.11Å; L593-L619 HydrophobicContact CD1-CD2 3.93Å; L593-L619 HydrophobicContact CD2-CD2 3.86Å; L593-L619 HydrophobicContact CG-CD2 4.19Å; L593-L653 HydrophobicContact CD1-CD1 4.35Å; L593-A657 HydrophobicContact CD1-CB 4.45Å; L593-A657 HydrophobicContact CD2-CB 4.35Å; L593-I659 HydrophobicContact CD2-CD1 4.12Å; L593-V663 HydrophobicContact CD2-CG1 3.97Å; L593-P665 HydrophobicContact CD2-CB 4.48Å; L593-P665 HydrophobicContact CG-CB 4.36Å; L593-P665 VanDerWaalsContact O-CA 3.25Å; L593-P665 WeakPolarHBondContact O-CA 3.31Å; L593-V666 PolarHBondContact O-N 2.75Å
594	I	96.6	Very high	93.1	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.097	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-17.7	179.2	57.9	155.3	0	0	0	112.6	T592 W598 V600 L650 V666 L668 L756 I785	T592-I594 PolarHBondContact O-N 3.34Å; I594-W598 HydrophobicContact CD1-CB 4.3Å; I594-W598 HydrophobicContact CG1-CB 4.08Å; I594-W598 WeakPolarHBondContact CG1-O 3.47Å; I594-W598 PolarHBondContact N-O 2.85Å; I594-V600 HydrophobicContact CD1-CG2 3.55Å; I594-V600 HydrophobicContact CG1-CG2 3.96Å; I594-V600 HydrophobicContact CG2-CB 4.35Å; I594-V600 HydrophobicContact CG2-CG2 3.85Å; I594-L650 HydrophobicContact CD1-CD2 3.83Å; I594-V666 HydrophobicContact CG2-CG1 4.14Å; I594-L668 HydrophobicContact CB-CD2 4.3Å; I594-L668 HydrophobicContact CB-CG 4.49Å; I594-L668 HydrophobicContact CD1-CD1 4.36Å; I594-L668 HydrophobicContact CG2-CD2 3.88Å; I594-L756 HydrophobicContact CG2-CD2 3.91Å; I594-I785 HydrophobicContact CD1-CG2 3.55Å
595	H	92.3	Very high	93.2	Very high	81 Å²	81	22.2 Å²	22.2	38%	0.375	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.7	176.6	-177.8	-94.1	0	0	0	107.5	L593 Q597 W598	L593-H595 WeakPolarHBondContact CD1-O 3.47Å; H595-Q597 PolarHBondContact ND1-N 3.03Å; H595-Q597 PolarHBondContact O-N 2.67Å; H595-W598 HydrophobicContact CB-CB 3.99Å; H595-W598 HydrophobicContact CB-CG 4.44Å; H595-W598 PolarHBondContact N-O 2.03Å; H595-W598 AromaticContact ND1-CD1 3.62Å; H595-W598 PolarHBondContact O-N 2.76Å; H595-W598 VanDerWaalsContact O-O 3.08Å
596	P	87.7	Confident	93.5	Very high	37 Å²	37	21.3 Å²	21.3	24%	0.24	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-25.6	178.8	-30.8	35.2	0	0	0	115.6	P656 A657 I659	P596-P656 HydrophobicContact CB-CB 4.3Å; P596-P656 CarbonylContact O-C 3.42Å; P596-P656 WeakPolarHBondContact O-CA 3.36Å; P596-A657 WeakPolarHBondContact O-CB 3.18Å; P596-A657 PolarHBondContact O-N 2.81Å; P596-I659 HydrophobicContact CB-CD1 4.31Å; P596-I659 HydrophobicContact CB-CG1 4.41Å; P596-I659 HydrophobicContact CG-CD1 4.08Å; P596-I659 HydrophobicContact CG-CG1 3.92Å
597	Q	91.9	Very high	93.5	Very high	57 Å²	57	24 Å²	24	27%	0.266	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	3.2	177.3	-77.9	-173.3	-76.7	0	0	115.5	H595 L653 P656	H595-Q597 PolarHBondContact ND1-N 3.03Å; H595-Q597 PolarHBondContact O-N 2.67Å; Q597-L653 PolarHBondContact O-N 2.97Å; Q597-P656 HydrophobicContact CG-CB 3.73Å; Q597-P656 HydrophobicContact CG-CG 3.6Å
598	W	97.3	Very high	93.4	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.5	-174.9	-62.8	94.8	0	0	0	112.8	I594 H595 L650 K652 T788 V789 N792	I594-W598 HydrophobicContact CD1-CB 4.3Å; I594-W598 HydrophobicContact CG1-CB 4.08Å; I594-W598 WeakPolarHBondContact CG1-O 3.47Å; I594-W598 PolarHBondContact N-O 2.85Å; H595-W598 HydrophobicContact CB-CB 3.99Å; H595-W598 HydrophobicContact CB-CG 4.44Å; H595-W598 PolarHBondContact N-O 2.03Å; H595-W598 AromaticContact ND1-CD1 3.62Å; H595-W598 PolarHBondContact O-N 2.76Å; H595-W598 VanDerWaalsContact O-O 3.08Å; W598-L650 HydrophobicContact CE3-CB 4.12Å; W598-L650 HydrophobicContact CE3-CD1 4.48Å; W598-L650 HydrophobicContact CE3-CD2 4.41Å; W598-L650 HydrophobicContact CZ3-CB 4.16Å; W598-K652 HydrophobicContact CD2-CB 4.47Å; W598-K652 HydrophobicContact CD2-CG 4.44Å; W598-K652 HydrophobicContact CE3-CB 4.04Å; W598-K652 HydrophobicContact CE3-CG 4.48Å; W598-K652 HydrophobicContact CH2-CB 3.83Å; W598-K652 HydrophobicContact CH2-CD 3.93Å; W598-K652 HydrophobicContact CH2-CG 3.97Å; W598-K652 HydrophobicContact CZ2-CB 4.25Å; W598-K652 HydrophobicContact CZ2-CD 3.83Å; W598-K652 HydrophobicContact CZ2-CG 3.89Å; W598-K652 HydrophobicContact CZ3-CB 3.71Å; W598-K652 HydrophobicContact CZ3-CG 4.27Å; W598-T788 HydrophobicContact CH2-CG2 4.01Å; W598-T788 HydrophobicContact CZ3-CG2 4.03Å; W598-V789 HydrophobicContact CB-CG2 4.38Å; W598-V789 HydrophobicContact CD2-CG2 3.84Å; W598-V789 HydrophobicContact CE3-CG2 4.43Å; W598-V789 HydrophobicContact CG-CG2 3.79Å; W598-N792 HydrophobicContact CH2-CB 3.72Å; W598-N792 HydrophobicContact CZ2-CB 3.74Å
599	V	98.3	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.2	175.3	168.4	0	0	0	0	109.3	I578 T592 L593 V617 L650 L651 L653	I578-V599 HydrophobicContact CD1-CG1 4.14Å; I578-V599 HydrophobicContact CG1-CG1 3.76Å; I578-V599 HydrophobicContact CG2-CG2 4.29Å; T592-V599 CarbonylContact O-C 3.5Å; T592-V599 VanDerWaalsContact O-CA 3.28Å; T592-V599 WeakPolarHBondContact O-CA 3.43Å; L593-V599 HydrophobicContact CD1-CG2 3.95Å; V599-V617 HydrophobicContact CG2-CG1 4.25Å; V599-L650 CarbonylContact O-C 3.58Å; V599-L650 WeakPolarHBondContact O-CA 3.3Å; V599-L651 HydrophobicContact CB-CB 4.19Å; V599-L651 HydrophobicContact CB-CD1 4.38Å; V599-L651 HydrophobicContact CB-CG 4.48Å; V599-L651 HydrophobicContact CG1-CD1 4Å; V599-L651 HydrophobicContact CG1-CG 4.43Å; V599-L651 PolarHBondContact N-O 3.44Å; V599-L651 PolarHBondContact O-N 3.05Å; V599-L653 HydrophobicContact CG2-CD1 4.41Å; V599-L653 HydrophobicContact CG2-CD2 4.14Å
600	V	98.1	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.3	168	173.4	0	0	0	0	109.3	G591 T592 I594 I648 A649 L650 V759 I785	G591-V600 CarbonylContact C-O 3.54Å; G591-V600 VanDerWaalsContact CA-O 3.26Å; G591-V600 WeakPolarHBondContact CA-O 3.48Å; T592-V600 PolarHBondContact N-O 3.44Å; T592-V600 PolarHBondContact O-N 2.65Å; I594-V600 HydrophobicContact CD1-CG2 3.55Å; I594-V600 HydrophobicContact CG1-CG2 3.96Å; I594-V600 HydrophobicContact CG2-CB 4.35Å; I594-V600 HydrophobicContact CG2-CG2 3.85Å; V600-I648 HydrophobicContact CG1-CD1 3.92Å; V600-I648 HydrophobicContact CG1-CG1 3.87Å; V600-A649 WeakPolarHBondContact CA-O 3.38Å; V600-L650 HydrophobicContact CG2-CD2 3.47Å; V600-L650 VanDerWaalsContact CG2-CD2 3.47Å; V600-V759 HydrophobicContact CG1-CG2 3.46Å; V600-V759 VanDerWaalsContact CG1-CG2 3.46Å; V600-I785 HydrophobicContact CG2-CD1 4.32Å
601	T	96.7	Very high	93.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-177.1	172.4	-171.3	0	0	0	0	109.7	L580 G590 I648 A649 L651	L580-T601 HydrophobicContact CD2-CG2 4.47Å; G590-T601 PolarHBondContact O-OG1 3.34Å; T601-I648 CarbonylContact O-C 3.46Å; T601-I648 WeakPolarHBondContact O-CA 3.44Å; T601-A649 HydrophobicContact CG2-CB 4.32Å; T601-A649 PolarHBondContact N-O 3.18Å; T601-A649 PolarHBondContact O-N 2.91Å; T601-L651 HydrophobicContact CG2-CD1 3.87Å; T601-L651 HydrophobicContact CG2-CD2 3.97Å; T601-L651 HydrophobicContact CG2-CG 3.93Å
602	A	94.2	Very high	93.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.			trans	-80.6	149.7	174.3	0	0	0	0	0	111.2	H604 C605 V759	A602-H604 VanDerWaalsContact C-N 3.34Å; A602-H604 VanDerWaalsContact CB-CE1 3.44Å; A602-H604 WeakPolarHBondContact CB-CE1 3.06Å; A602-H604 WeakPolarHBondContact CB-ND1 3.5Å; A602-C605 WeakPolarHBondContact O-CB 3.44Å; A602-C605 PolarHBondContact O-N 3.19Å; A602-V759 HydrophobicContact CB-CG1 4.37Å
603	A	94.3	Very high	93.8	Very high	17 Å²	17	51.4 Å²	51.4	14%	0.14	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-68.3	-36.3	179.3	0	0	0	0	0	111.5	C605 L606 L641 D647	A603-C605 PolarHBondContact O-N 2.92Å; A603-C605 VanDerWaalsContact O-N 3.15Å; A603-L606 PolarHBondContact O-N 3.13Å; A603-L641 HydrophobicContact CB-CD2 4.3Å; A603-D647 WeakPolarHBondContact CA-OD1 3.1Å; A603-D647 WeakPolarHBondContact CB-OD1 3.18Å; A603-D647 PolarHBondContact N-OD1 2.87Å
604	H	90.4	Very high	93.7	Very high	49 Å²	49	52.2 Å²	52.2	23%	0.227	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-62.3	-23.3	179.9	72.9	-100.9	0	0	0	113.3	A602 L606 E607 D647 S742 S761	A602-H604 VanDerWaalsContact C-N 3.34Å; A602-H604 VanDerWaalsContact CB-CE1 3.44Å; A602-H604 WeakPolarHBondContact CB-CE1 3.06Å; A602-H604 WeakPolarHBondContact CB-ND1 3.5Å; H604-L606 PolarHBondContact O-N 2.02Å; H604-E607 PolarHBondContact O-N 3.45Å; H604-D647 IonicContact CE1-OD2 3.74Å; H604-D647 IonicContact CG-OD1 2.73Å; H604-D647 IonicContact CG-OD2 3.41Å; H604-D647 PolarHBondContact N-OD1 3.05Å; H604-D647 IonicContact ND1-OD1 3.81Å; H604-D647 PolarHBondContact ND1-OD1 3.41Å; H604-D647 IonicContact ND1-OD2 3.18Å; H604-D647 PolarHBondContact ND1-OD2 2.88Å; H604-S742 WeakPolarHBondContact NE2-CB 3.22Å; H604-S742 PolarHBondContact NE2-OG 3.43Å; H604-S761 PolarHBondContact CE1-O 2.94Å; H604-S761 VanDerWaalsContact CE1-O 3.23Å
605	C	91.6	Very high	93.6	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.027	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-63.5	-21.6	172.9	-68.1	0	0	0	0	112.9	L580 F588 C589 A602 A603	L580-C605 HydrophobicContact CD2-CB 4.15Å; F588-C605 HydrophobicContact CE2-CB 4.13Å; F588-C605 VanDerWaalsContact CE2-O 3.28Å; F588-C605 WeakPolarHBondContact CE2-O 3.34Å; C589-C605 HydrophobicContact CB-CB 3.79Å; C589-C605 WeakPolarHBondContact CB-SG 3.46Å; C589-C605 WeakPolarHBondContact SG-CB 3.13Å; C589-C605 CovalentContact SG-SG 2.04Å; C589-C605 PolarHBondContact SG-SG 3.2Å; A602-C605 WeakPolarHBondContact O-CB 3.44Å; A602-C605 PolarHBondContact O-N 3.19Å; A603-C605 PolarHBondContact O-N 2.92Å; A603-C605 VanDerWaalsContact O-N 3.15Å
606	L	93.5	Very high	93.8	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-102.5	-0.9	-175.9	-52.8	-179.4	0	0	0	113.1	L580 A603 H604 R608 S609 Y615 L639 L641 A649 L651	L580-L606 HydrophobicContact CD2-CD2 4.27Å; A603-L606 PolarHBondContact O-N 3.13Å; H604-L606 PolarHBondContact O-N 2.02Å; L606-R608 PolarHBondContact O-N 2.97Å; L606-S609 CarbonylContact O-C 3.54Å; L606-S609 PolarHBondContact O-N 2.8Å; L606-Y615 HydrophobicContact CD2-CE1 4.43Å; L606-Y615 HydrophobicContact CD2-CE2 4.33Å; L606-Y615 PolarHBondContact O-OH 3.32Å; L606-L639 HydrophobicContact CD1-CB 4.31Å; L606-L639 HydrophobicContact CD1-CD2 4.38Å; L606-L639 HydrophobicContact CD2-CD2 4.32Å; L606-L641 HydrophobicContact CB-CD2 4.3Å; L606-L641 HydrophobicContact CD1-CD2 3.95Å; L606-A649 HydrophobicContact CD1-CB 3.61Å; L606-L651 HydrophobicContact CD1-CD2 3.74Å; L606-L651 HydrophobicContact CD2-CD2 3.93Å; L606-L651 HydrophobicContact CG-CD2 4.43Å
607	E	88.8	Confident	94.2	Very high	159 Å²	159	47.1 Å²	47.1	74%	0.743	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.2	-177.2	-74.8	174.6	-176.5	0	0	113.3	H604 S609	H604-E607 PolarHBondContact O-N 3.45Å; E607-S609 VanDerWaalsContact C-N 3.3Å; E607-S609 PolarHBondContact O-N 2.9Å
608	R	88.1	Confident	94.5	Very high	213 Å²	213	44.6 Å²	44.6	80%	0.804	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.8	-179.7	-67.9	-175.3	178	178.8	0.8	113.5	L606	L606-R608 PolarHBondContact O-N 2.97Å
609	S	92.4	Very high	94.5	Very high	26 Å²	26	44.3 Å²	44.3	18%	0.182	22%	0.222	C	C	.	.			trans	-161	137.1	179.4	-157.5	0	0	0	0	112.6	L606 E607 R611 Y615	L606-S609 CarbonylContact O-C 3.54Å; L606-S609 PolarHBondContact O-N 2.8Å; E607-S609 VanDerWaalsContact C-N 3.3Å; E607-S609 PolarHBondContact O-N 2.9Å; S609-R611 VanDerWaalsContact C-N 3.33Å; S609-Y615 WeakPolarHBondContact CA-OH 3.46Å; S609-Y615 WeakPolarHBondContact CB-OH 3.42Å; S609-Y615 PolarHBondContact N-OH 3.09Å; S609-Y615 VanDerWaalsContact O-CE2 3.24Å; S609-Y615 WeakPolarHBondContact O-CE2 2.97Å; S609-Y615 PolarHBondContact O-OH 3.4Å
610	T	92.8	Very high	94.3	Very high	131 Å²	131	44.5 Å²	44.5	80%	0.804	22%	0.224	S	C	*	.	S	Bend	trans	-87.4	-2.3	174	54.2	0	0	0	0	113.5
611	R	95.7	Very high	94.2	Very high	158 Å²	158	45 Å²	45	60%	0.596	23%	0.226	S	C	*	.			trans	-90.8	122.8	-176	-65.3	-175.8	-63.2	170.9	-0.9	110.8	S609 S613 A614 Y615	S609-R611 VanDerWaalsContact C-N 3.33Å; R611-S613 PolarHBondContact O-N 3.06Å; R611-A614 HydrophobicContact CB-CB 4.48Å; R611-A614 VanDerWaalsContact O-CB 3.29Å; R611-A614 WeakPolarHBondContact O-CB 3.38Å; R611-A614 PolarHBondContact O-N 3.16Å; R611-Y615 WeakPolarHBondContact O-CD2 3.46Å
612	P	95.4	Very high	94	Very high	35 Å²	35	45.5 Å²	45.5	23%	0.227	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-53.6	-38.8	175.7	-24.8	31.4	0	0	0	113.3	A614 Y615 L636 E637 L639	P612-A614 PolarHBondContact O-N 3.41Å; P612-A614 VanDerWaalsContact O-N 3.11Å; P612-Y615 PolarHBondContact O-N 3.01Å; P612-Y615 VanDerWaalsContact O-N 3.07Å; P612-L636 HydrophobicContact CB-CB 3.87Å; P612-L636 VanDerWaalsContact CB-O 3.24Å; P612-L636 WeakPolarHBondContact CB-O 3.42Å; P612-E637 WeakPolarHBondContact CG-O 3.01Å; P612-L639 HydrophobicContact CB-CG 4.39Å; P612-L639 HydrophobicContact CG-CG 4.15Å
613	S	95.6	Very high	93.9	Very high	80 Å²	80	51.3 Å²	51.3	56%	0.559	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-66.7	-9.9	179.7	68.5	0	0	0	0	115	R611 Y615	R611-S613 PolarHBondContact O-N 3.06Å; S613-Y615 PolarHBondContact O-N 3.37Å
614	A	95.4	Very high	93.6	Very high	18 Å²	18	53.6 Å²	53.6	15%	0.149	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-75.6	-11.1	173.2	0	0	0	0	0	112.3	T582 S583 R611 P612	T582-A614 CarbonylContact C-O 3.52Å; S583-A614 PolarHBondContact N-O 3.3Å; R611-A614 HydrophobicContact CB-CB 4.48Å; R611-A614 VanDerWaalsContact O-CB 3.29Å; R611-A614 WeakPolarHBondContact O-CB 3.38Å; R611-A614 PolarHBondContact O-N 3.16Å; P612-A614 PolarHBondContact O-N 3.41Å; P612-A614 VanDerWaalsContact O-N 3.11Å
615	Y	95.8	Very high	93.5	Very high	6 Å²	6	56 Å²	56	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.5	-170.9	-53.1	-79.1	0	0	0	111.8	R581 F588 L606 S609 R611 P612 S613 L636 L639	R581-Y615 CarbonylContact O-C 3.58Å; R581-Y615 VanDerWaalsContact O-CA 3.29Å; R581-Y615 WeakPolarHBondContact O-CA 3.46Å; F588-Y615 AromaticContact CE1-CD1 3.9Å; F588-Y615 HydrophobicContact CE1-CD1 3.9Å; F588-Y615 HydrophobicContact CE1-CE1 4.17Å; F588-Y615 HydrophobicContact CE2-CE1 4.43Å; F588-Y615 AromaticContact CZ-CD1 3.6Å; F588-Y615 HydrophobicContact CZ-CD1 3.6Å; F588-Y615 AromaticContact CZ-CE1 3.57Å; F588-Y615 HydrophobicContact CZ-CE1 3.57Å; L606-Y615 HydrophobicContact CD2-CE1 4.43Å; L606-Y615 HydrophobicContact CD2-CE2 4.33Å; L606-Y615 PolarHBondContact O-OH 3.32Å; S609-Y615 WeakPolarHBondContact CA-OH 3.46Å; S609-Y615 WeakPolarHBondContact CB-OH 3.42Å; S609-Y615 PolarHBondContact N-OH 3.09Å; S609-Y615 VanDerWaalsContact O-CE2 3.24Å; S609-Y615 WeakPolarHBondContact O-CE2 2.97Å; S609-Y615 PolarHBondContact O-OH 3.4Å; R611-Y615 WeakPolarHBondContact O-CD2 3.46Å; P612-Y615 PolarHBondContact O-N 3.01Å; P612-Y615 VanDerWaalsContact O-N 3.07Å; S613-Y615 PolarHBondContact O-N 3.37Å; Y615-L636 HydrophobicContact CG-CD1 4.49Å; Y615-L639 HydrophobicContact CD2-CD1 4.09Å; Y615-L639 HydrophobicContact CD2-CD2 4.49Å; Y615-L639 HydrophobicContact CE2-CD1 3.9Å
616	Q	96.1	Very high	93.3	Very high	23 Å²	23	56.1 Å²	56.1	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.9	168.9	64.6	-171.9	-38.1	0	0	109.8	R581 T582 G585	R581-Q616 HydrophobicContact CB-CG 3.84Å; R581-Q616 PolarHBondContact N-O 2.04Å; R581-Q616 PolarHBondContact O-N 3.46Å; T582-Q616 PolarHBondContact O-NE2 3.09Å; G585-Q616 VanDerWaalsContact CA-NE2 3.35Å
617	V	97	Very high	93.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.2	177.4	170	0	0	0	0	108.8	I578 L580 V599 L619 I633 R634 L636 L651 L653	I578-V617 HydrophobicContact CB-CG1 3.91Å; I578-V617 HydrophobicContact CD1-CG1 4.27Å; I578-V617 HydrophobicContact CD1-CG2 4.46Å; I578-V617 HydrophobicContact CG1-CG1 4.26Å; I578-V617 HydrophobicContact CG2-CG1 4.1Å; L580-V617 HydrophobicContact CD1-CG2 3.94Å; V599-V617 HydrophobicContact CG2-CG1 4.25Å; V617-L619 HydrophobicContact CG1-CD1 3.84Å; V617-L619 HydrophobicContact CG1-CG 4Å; V617-I633 WeakPolarHBondContact O-CA 3.42Å; V617-R634 PolarHBondContact N-O 2.79Å; V617-R634 PolarHBondContact O-N 2.75Å; V617-L636 HydrophobicContact CG2-CD2 3.72Å; V617-L651 HydrophobicContact CG2-CD1 4.14Å; V617-L653 HydrophobicContact CB-CD2 4Å; V617-L653 HydrophobicContact CG1-CD2 4.25Å; V617-L653 HydrophobicContact CG2-CD2 3.91Å
618	V	97.3	Very high	93.2	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.8	172.8	-171.2	0	0	0	0	109.4	I578 S579 R581 I621 A626 K631 Q632 I633	I578-V618 WeakPolarHBondContact CA-O 3.36Å; S579-V618 PolarHBondContact N-O 2.92Å; S579-V618 PolarHBondContact O-N 2.71Å; R581-V618 HydrophobicContact CG-CG2 4.14Å; V618-I621 HydrophobicContact CB-CD1 4.39Å; V618-I621 HydrophobicContact CG1-CD1 3.95Å; V618-I621 HydrophobicContact CG1-CG1 4.44Å; V618-I621 HydrophobicContact CG1-CG2 3.88Å; V618-A626 HydrophobicContact CG1-CB 4.14Å; V618-K631 HydrophobicContact CG1-CB 4.48Å; V618-Q632 CarbonylContact C-O 3.48Å; V618-Q632 WeakPolarHBondContact CA-O 3.02Å; V618-I633 HydrophobicContact CG2-CG1 4.32Å
619	L	96.6	Very high	93.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	160.2	-179.8	-55.9	113.3	0	0	0	111.4	I578 L593 V617 K631 Q632 R634 A657 V663	I578-L619 HydrophobicContact CG2-CD2 3.4Å; I578-L619 VanDerWaalsContact CG2-CD2 3.4Å; I578-L619 HydrophobicContact CG2-CG 3.8Å; L593-L619 HydrophobicContact CB-CD2 4.11Å; L593-L619 HydrophobicContact CD1-CD2 3.93Å; L593-L619 HydrophobicContact CD2-CD2 3.86Å; L593-L619 HydrophobicContact CG-CD2 4.19Å; V617-L619 HydrophobicContact CG1-CD1 3.84Å; V617-L619 HydrophobicContact CG1-CG 4Å; L619-K631 CarbonylContact O-C 3.41Å; L619-K631 WeakPolarHBondContact O-CA 3.07Å; L619-Q632 HydrophobicContact CB-CB 4.35Å; L619-Q632 HydrophobicContact CD1-CB 4.38Å; L619-Q632 PolarHBondContact N-O 3Å; L619-Q632 PolarHBondContact O-N 3.26Å; L619-R634 HydrophobicContact CD1-CG 4.13Å; L619-A657 HydrophobicContact CD1-CB 4.27Å; L619-V663 HydrophobicContact CB-CG1 4.07Å; L619-V663 HydrophobicContact CB-CG2 4Å; L619-V663 HydrophobicContact CD2-CG1 3.93Å
620	G	94.7	Very high	93.1	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	28%	0.278	C	S	.	.	S	Bend	trans	74.4	24.6	169.8	0	0	0	0	0	114.6	H572 S630	H572-G620 PolarHBondContact CE1-O 2.77Å; G620-S630 WeakPolarHBondContact O-CB 3.04Å; G620-S630 PolarHBondContact O-OG 3.09Å
621	I	95.1	Very high	93.2	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.051	26%	0.259	C	S	.	.			trans	-112.1	150.1	-178.8	61.4	170.4	0	0	0	110.9	R581 V618 A626 K631 W686	R581-I621 VanDerWaalsContact NH2-CD1 3.28Å; V618-I621 HydrophobicContact CB-CD1 4.39Å; V618-I621 HydrophobicContact CG1-CD1 3.95Å; V618-I621 HydrophobicContact CG1-CG1 4.44Å; V618-I621 HydrophobicContact CG1-CG2 3.88Å; I621-A626 HydrophobicContact CD1-CB 4.05Å; I621-A626 HydrophobicContact CG2-CB 3.84Å; I621-K631 HydrophobicContact CG2-CB 3.58Å; I621-W686 HydrophobicContact CD1-CH2 4.26Å; I621-W686 HydrophobicContact CD1-CZ2 4.13Å; I621-W686 HydrophobicContact CG1-CH2 4.04Å; I621-W686 HydrophobicContact CG1-CZ2 3.88Å
622	H	93.4	Very high	93.1	Very high	11 Å²	11	42 Å²	42	5%	0.051	24%	0.235	C	C	.	.	S	Bend	trans	-107.7	-38.9	170.3	-176.2	60	0	0	0	110.7	E568 A569 P571 E628 W686 V697 L698	E568-H622 IonicContact OE1-CD2 3.64Å; E568-H622 IonicContact OE1-CE1 3.8Å; E568-H622 IonicContact OE1-NE2 2.91Å; E568-H622 PolarHBondContact OE1-NE2 3.46Å; A569-H622 PolarHBondContact O-CE1 2.93Å; P571-H622 HydrophobicContact CB-CB 4.22Å; H622-E628 WeakPolarHBondContact CA-OE1 3.47Å; H622-E628 PolarHBondContact N-OE1 2.84Å; H622-W686 PolarHBondContact O-NE1 2.86Å; H622-V697 CarbonylContact O-C 3.47Å; H622-L698 WeakPolarHBondContact O-CB 3.31Å; H622-L698 PolarHBondContact O-N 3.06Å
623	R	91.1	Very high	93.1	Very high	122 Å²	122	44.2 Å²	44.2	46%	0.46	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-91.9	135.7	176.3	-66.4	-178.5	-179.4	-95.2	-0.4	111.3	T625 A626 E628 G696 V697	R623-T625 PolarHBondContact O-N 2.87Å; R623-T625 VanDerWaalsContact O-N 3.15Å; R623-A626 PolarHBondContact O-N 2.73Å; R623-E628 PolarHBondContact N-OE1 2.81Å; R623-G696 CarbonylContact C-O 3.53Å; R623-G696 WeakPolarHBondContact CA-O 3.43Å; R623-V697 HydrophobicContact CG-CG1 4.24Å
624	E	88.6	Confident	93.1	Very high	65 Å²	65	42 Å²	42	30%	0.304	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.7	176.7	-163.2	-162.4	142.9	0	0	111.9	R581 H587 A626 W686 G696	R581-E624 VanDerWaalsContact CZ-O 3.26Å; R581-E624 PolarHBondContact NH1-O 3.36Å; R581-E624 PolarHBondContact NH2-O 3.35Å; H587-E624 HydrophobicContact CB-CG 3.89Å; H587-E624 WeakPolarHBondContact CB-OE1 3.45Å; H587-E624 IonicContact CD2-OE1 3.69Å; H587-E624 IonicContact CG-OE1 3.82Å; E624-A626 PolarHBondContact O-N 3.35Å; E624-W686 HydrophobicContact CB-CG 4.24Å; E624-W686 HydrophobicContact CG-CB 4.49Å; E624-W686 HydrophobicContact CG-CG 4.39Å; E624-G696 PolarHBondContact N-O 3.49Å
625	T	87.9	Confident	93.1	Very high	98 Å²	98	44.8 Å²	44.8	60%	0.601	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.9	174.3	55.2	0	0	0	0	113.5	R623 T627	R623-T625 PolarHBondContact O-N 2.87Å; R623-T625 VanDerWaalsContact O-N 3.15Å; T625-T627 PolarHBondContact O-N 3.08Å
626	A	88.4	Confident	93.2	Very high	7 Å²	7	45 Å²	45	6%	0.058	24%	0.235	C	C	.	.			trans	51.4	51.9	-178.4	0	0	0	0	0	113.3	V618 I621 R623 E624 E628 K631	V618-A626 HydrophobicContact CG1-CB 4.14Å; I621-A626 HydrophobicContact CD1-CB 4.05Å; I621-A626 HydrophobicContact CG2-CB 3.84Å; R623-A626 PolarHBondContact O-N 2.73Å; E624-A626 PolarHBondContact O-N 3.35Å; A626-E628 WeakPolarHBondContact CA-OE2 3.19Å; A626-K631 HydrophobicContact CB-CD 4.4Å; A626-K631 WeakPolarHBondContact O-CD 3.33Å; A626-K631 PolarHBondContact O-NZ 2.9Å
627	T	88.4	Confident	93.1	Very high	99 Å²	99	48.5 Å²	48.5	61%	0.607	25%	0.251	S	S	*	.			trans	-89.2	-10	176.3	54.1	0	0	0	0	112.7	T625	T625-T627 PolarHBondContact O-N 3.08Å
628	E	91.3	Very high	93.1	Very high	27 Å²	27	52.5 Å²	52.5	13%	0.126	27%	0.269	C	S	.	.	S	Bend	trans	-72.4	145	-173.7	-56.8	98.6	125.1	0	0	113.3	H622 R623 A626 S630 K631	H622-E628 WeakPolarHBondContact CA-OE1 3.47Å; H622-E628 PolarHBondContact N-OE1 2.84Å; R623-E628 PolarHBondContact N-OE1 2.81Å; A626-E628 WeakPolarHBondContact CA-OE2 3.19Å; E628-S630 PolarHBondContact O-N 3.35Å; E628-K631 WeakPolarHBondContact O-CB 3.33Å; E628-K631 WeakPolarHBondContact O-CD 3.39Å; E628-K631 VanDerWaalsContact O-CG 3.23Å; E628-K631 WeakPolarHBondContact O-CG 3.15Å; E628-K631 PolarHBondContact O-N 3.43Å
629	P	89.6	Confident	93.1	Very high	138 Å²	138	53.8 Å²	53.8	90%	0.896	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.4	177.6	28.5	-35.4	0	0	0	113.2	K631	P629-K631 PolarHBondContact O-N 3.13Å
630	S	89.1	Confident	93.1	Very high	23 Å²	23	55 Å²	55	16%	0.161	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.9	175.6	52	0	0	0	0	113.8	H572 G620 E628	H572-S630 PolarHBondContact CE1-OG 3.21Å; G620-S630 WeakPolarHBondContact O-CB 3.04Å; G620-S630 PolarHBondContact O-OG 3.09Å; E628-S630 PolarHBondContact O-N 3.35Å
631	K	95.3	Very high	93.1	Very high	93 Å²	93	60 Å²	60	40%	0.404	31%	0.308	S	S	.	.			trans	-62.3	139.1	-174.8	76.9	-172.4	171.4	-175.8	0	112.1	V618 L619 I621 A626 E628 P629	V618-K631 HydrophobicContact CG1-CB 4.48Å; L619-K631 CarbonylContact O-C 3.41Å; L619-K631 WeakPolarHBondContact O-CA 3.07Å; I621-K631 HydrophobicContact CG2-CB 3.58Å; A626-K631 HydrophobicContact CB-CD 4.4Å; A626-K631 WeakPolarHBondContact O-CD 3.33Å; A626-K631 PolarHBondContact O-NZ 2.9Å; E628-K631 WeakPolarHBondContact O-CB 3.33Å; E628-K631 WeakPolarHBondContact O-CD 3.39Å; E628-K631 VanDerWaalsContact O-CG 3.23Å; E628-K631 WeakPolarHBondContact O-CG 3.15Å; E628-K631 PolarHBondContact O-N 3.43Å; P629-K631 PolarHBondContact O-N 3.13Å
632	Q	93.6	Very high	92.9	Very high	19 Å²	19	60.1 Å²	60.1	9%	0.089	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.9	170.2	-60.9	-171.7	46.7	0	0	109.4	V618 L619 V658	V618-Q632 CarbonylContact C-O 3.48Å; V618-Q632 WeakPolarHBondContact CA-O 3.02Å; L619-Q632 HydrophobicContact CB-CB 4.35Å; L619-Q632 HydrophobicContact CD1-CB 4.38Å; L619-Q632 PolarHBondContact N-O 3Å; L619-Q632 PolarHBondContact O-N 3.26Å; Q632-V658 PolarHBondContact NE2-O 2.97Å
633	I	94.8	Very high	92.8	Very high	81 Å²	81	61.6 Å²	61.6	42%	0.415	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.7	174.9	-55.7	177	0	0	0	108.3	V617 V618	V617-I633 WeakPolarHBondContact O-CA 3.42Å; V618-I633 HydrophobicContact CG2-CG1 4.32Å
634	R	96.1	Very high	92.6	Very high	34 Å²	34	63.8 Å²	63.8	13%	0.128	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.8	176	-65.5	-62.1	-176.3	-81.8	-5.3	110.2	V617 L619 L653 S655 P656	V617-R634 PolarHBondContact N-O 2.79Å; V617-R634 PolarHBondContact O-N 2.75Å; L619-R634 HydrophobicContact CD1-CG 4.13Å; R634-L653 HydrophobicContact CB-CB 4.33Å; R634-L653 HydrophobicContact CB-CD1 4.22Å; R634-L653 HydrophobicContact CB-CD2 4.09Å; R634-L653 HydrophobicContact CB-CG 4.44Å; R634-L653 HydrophobicContact CG-CD1 4.19Å; R634-S655 VanDerWaalsContact CD-O 3.31Å; R634-S655 WeakPolarHBondContact CD-O 3.08Å; R634-S655 WeakPolarHBondContact CD-OG 3.19Å; R634-S655 PolarHBondContact NE-O 3.41Å; R634-S655 PolarHBondContact NE-OG 3.24Å; R634-P656 PolarHBondContact NE-O 2.98Å; R634-P656 PolarHBondContact NH2-O 3Å
635	Q	95.2	Very high	92.2	Very high	76 Å²	76	64.4 Å²	64.4	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	157.6	169.9	-61.5	-58.5	-34.9	0	0	109.8	Q654	Q635-Q654 HydrophobicContact CB-CB 4.39Å; Q635-Q654 WeakPolarHBondContact O-CB 3.21Å; Q635-Q654 PolarHBondContact O-N 2.8Å
636	L	96.9	Very high	92.3	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.058	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.4	179.4	-60.8	-174.2	0	0	0	111.4	P612 Y615 V617 L639 L651 L653	P612-L636 HydrophobicContact CB-CB 3.87Å; P612-L636 VanDerWaalsContact CB-O 3.24Å; P612-L636 WeakPolarHBondContact CB-O 3.42Å; Y615-L636 HydrophobicContact CG-CD1 4.49Å; V617-L636 HydrophobicContact CG2-CD2 3.72Å; L636-L639 HydrophobicContact CD1-CD2 3.51Å; L636-L651 HydrophobicContact CD1-CB 4.18Å; L636-L651 HydrophobicContact CD1-CD1 4.13Å; L636-L651 HydrophobicContact CD1-CD2 4.19Å; L636-L651 HydrophobicContact CD1-CG 4.41Å; L636-L651 HydrophobicContact CD2-CB 3.82Å; L636-L653 HydrophobicContact CD2-CD2 3.65Å
637	E	95.2	Very high	92.5	Very high	96 Å²	96	61.4 Å²	61.4	45%	0.449	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-42.6	170.6	-176.4	-171	145.9	0	0	110.7	P612 K652 Q654	P612-E637 WeakPolarHBondContact CG-O 3.01Å; E637-K652 HydrophobicContact CB-CG 4.49Å; E637-K652 PolarHBondContact N-O 3.04Å; E637-K652 IonicContact OE1-NZ 3.25Å; E637-K652 PolarHBondContact OE1-NZ 3.35Å; E637-K652 WeakPolarHBondContact OE2-CE 3.21Å; E637-K652 IonicContact OE2-NZ 2.76Å; E637-K652 PolarHBondContact OE2-NZ 3.31Å; E637-Q654 HydrophobicContact CB-CB 4.43Å
638	K	96.3	Very high	92.8	Very high	84 Å²	84	56.7 Å²	56.7	37%	0.365	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	144.3	-171.6	-165.8	171.1	-177.7	171.5	0	112.2	V640 K652 N792	K638-V640 HydrophobicContact CD-CG2 4.17Å; K638-V640 HydrophobicContact CG-CG2 4.05Å; K638-K652 HydrophobicContact CB-CB 3.93Å; K638-K652 PolarHBondContact N-O 3.02Å; K638-K652 PolarHBondContact O-N 2.64Å; K638-N792 PolarHBondContact NZ-OD1 2.96Å
639	L	97.1	Very high	93.1	Very high	32 Å²	32	55.4 Å²	55.4	17%	0.168	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.6	170	-52.2	179.9	0	0	0	108	L606 P612 Y615 L636 L651	L606-L639 HydrophobicContact CD1-CB 4.31Å; L606-L639 HydrophobicContact CD1-CD2 4.38Å; L606-L639 HydrophobicContact CD2-CD2 4.32Å; P612-L639 HydrophobicContact CB-CG 4.39Å; P612-L639 HydrophobicContact CG-CG 4.15Å; Y615-L639 HydrophobicContact CD2-CD1 4.09Å; Y615-L639 HydrophobicContact CD2-CD2 4.49Å; Y615-L639 HydrophobicContact CE2-CD1 3.9Å; L636-L639 HydrophobicContact CD1-CD2 3.51Å; L639-L651 HydrophobicContact CD2-CD2 3.59Å
640	V	96.4	Very high	93.5	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.152	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	110.8	177.8	-169.6	0	0	0	0	108.9	K638 A649 L650 W784 T788	K638-V640 HydrophobicContact CD-CG2 4.17Å; K638-V640 HydrophobicContact CG-CG2 4.05Å; V640-A649 CarbonylContact O-C 3.6Å; V640-A649 WeakPolarHBondContact O-CA 3.45Å; V640-L650 HydrophobicContact CB-CB 4.24Å; V640-L650 PolarHBondContact N-O 3.25Å; V640-L650 PolarHBondContact O-N 3.24Å; V640-W784 HydrophobicContact CG1-CZ2 3.99Å; V640-T788 HydrophobicContact CB-CG2 4.24Å; V640-T788 HydrophobicContact CG1-CG2 3.96Å; V640-T788 HydrophobicContact CG2-CG2 4.03Å
641	L	94.9	Very high	94	Very high	108 Å²	108	47.8 Å²	47.8	57%	0.565	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	149.1	177.1	-59.1	179.3	0	0	0	111	A603 L606 A649 W784	A603-L641 HydrophobicContact CB-CD2 4.3Å; L606-L641 HydrophobicContact CB-CD2 4.3Å; L606-L641 HydrophobicContact CD1-CD2 3.95Å; L641-A649 HydrophobicContact CD2-CB 4.24Å; L641-W784 WeakPolarHBondContact O-CZ2 3.43Å
642	G	91.3	Very high	94.1	Very high	13 Å²	13	44.4 Å²	44.4	13%	0.134	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-64.2	158.4	179.6	0	0	0	0	0	113.5	I648	G642-I648 WeakPolarHBondContact CA-O 3.35Å; G642-I648 PolarHBondContact N-O 2.92Å
643	P	92.3	Very high	94.1	Very high	43 Å²	43	43.5 Å²	43.5	28%	0.279	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-69.9	152.3	179.9	29.7	-34.2	0	0	0	111.8	G645 A646 F781 W784	P643-G645 PolarHBondContact O-N 3.42Å; P643-G645 VanDerWaalsContact O-N 3.11Å; P643-A646 WeakPolarHBondContact O-CB 3.35Å; P643-A646 PolarHBondContact O-N 2.83Å; P643-A646 VanDerWaalsContact O-N 3.08Å; P643-F781 HydrophobicContact CG-CD1 3.99Å; P643-F781 HydrophobicContact CG-CE1 4.1Å; P643-W784 HydrophobicContact CG-CB 4.41Å; P643-W784 HydrophobicContact CG-CG 4.13Å
644	N	86	Confident	93.9	Very high	168 Å²	168	45.7 Å²	45.7	90%	0.898	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	56	28	170.2	-54.8	-31.3	0	0	0	115.3	A646	N644-A646 VanDerWaalsContact C-N 3.25Å; N644-A646 PolarHBondContact O-N 2.74Å
645	G	80.4	Confident	93.1	Very high	78 Å²	78	46.6 Å²	46.6	80%	0.804	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	70.5	19	-179.5	0	0	0	0	0	114.1	P643	P643-G645 PolarHBondContact O-N 3.42Å; P643-G645 VanDerWaalsContact O-N 3.11Å
646	A	89.8	Confident	92.3	Very high	7 Å²	7	46.1 Å²	46.1	6%	0.058	27%	0.267	C	S	.	.			trans	-65.9	142.8	171.3	0	0	0	0	0	111	P643 N644 I648 F781	P643-A646 WeakPolarHBondContact O-CB 3.35Å; P643-A646 PolarHBondContact O-N 2.83Å; P643-A646 VanDerWaalsContact O-N 3.08Å; N644-A646 VanDerWaalsContact C-N 3.25Å; N644-A646 PolarHBondContact O-N 2.74Å; A646-I648 HydrophobicContact CB-CG2 4.23Å; A646-I648 PolarHBondContact O-N 2.97Å; A646-F781 HydrophobicContact CB-CE1 3.49Å; A646-F781 VanDerWaalsContact CB-CE1 3.49Å; A646-F781 HydrophobicContact CB-CZ 3.4Å
647	D	92.8	Very high	91.9	Very high	35 Å²	35	45.9 Å²	45.9	19%	0.187	27%	0.267	C	S	.	.	S	Bend	trans	-81.8	61.2	-177.5	-170.6	26.4	0	0	0	112.6	A603 H604 S761	A603-D647 WeakPolarHBondContact CA-OD1 3.1Å; A603-D647 WeakPolarHBondContact CB-OD1 3.18Å; A603-D647 PolarHBondContact N-OD1 2.87Å; H604-D647 IonicContact CE1-OD2 3.74Å; H604-D647 IonicContact CG-OD1 2.73Å; H604-D647 IonicContact CG-OD2 3.41Å; H604-D647 PolarHBondContact N-OD1 3.05Å; H604-D647 IonicContact ND1-OD1 3.81Å; H604-D647 PolarHBondContact ND1-OD1 3.41Å; H604-D647 IonicContact ND1-OD2 3.18Å; H604-D647 PolarHBondContact ND1-OD2 2.88Å; D647-S761 VanDerWaalsContact CB-OG 3.31Å; D647-S761 WeakPolarHBondContact CB-OG 3.16Å; D647-S761 VanDerWaalsContact CG-OG 3.31Å; D647-S761 WeakPolarHBondContact OD2-CA 2.97Å; D647-S761 WeakPolarHBondContact OD2-CB 3.36Å; D647-S761 PolarHBondContact OD2-OG 3.21Å
648	I	95.4	Very high	91.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.271	C	S	.	.			trans	-142.5	145.9	176.3	-168.5	170.3	0	0	0	109.2	V600 T601 G642 A646 V759 A776 F781 W784	V600-I648 HydrophobicContact CG1-CD1 3.92Å; V600-I648 HydrophobicContact CG1-CG1 3.87Å; T601-I648 CarbonylContact O-C 3.46Å; T601-I648 WeakPolarHBondContact O-CA 3.44Å; G642-I648 WeakPolarHBondContact CA-O 3.35Å; G642-I648 PolarHBondContact N-O 2.92Å; A646-I648 HydrophobicContact CB-CG2 4.23Å; A646-I648 PolarHBondContact O-N 2.97Å; I648-V759 HydrophobicContact CD1-CG2 4.12Å; I648-V759 HydrophobicContact CG1-CG2 4.36Å; I648-A776 HydrophobicContact CB-CB 4.27Å; I648-F781 HydrophobicContact CD1-CB 4.22Å; I648-F781 HydrophobicContact CD1-CD2 3.93Å; I648-F781 HydrophobicContact CD1-CG 4.18Å; I648-F781 HydrophobicContact CG2-CD1 3.95Å; I648-F781 HydrophobicContact CG2-CD2 4.14Å; I648-F781 HydrophobicContact CG2-CE1 4Å; I648-F781 HydrophobicContact CG2-CE2 4.2Å; I648-F781 HydrophobicContact CG2-CG 4.02Å; I648-F781 HydrophobicContact CG2-CZ 4.13Å; I648-W784 HydrophobicContact CG1-CZ3 4.46Å; I648-W784 HydrophobicContact CG2-CZ3 4.28Å
649	A	97.2	Very high	90.7	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.3	178.4	0	0	0	0	0	111.8	V600 T601 L606 V640 L641	V600-A649 WeakPolarHBondContact CA-O 3.38Å; T601-A649 HydrophobicContact CG2-CB 4.32Å; T601-A649 PolarHBondContact N-O 3.18Å; T601-A649 PolarHBondContact O-N 2.91Å; L606-A649 HydrophobicContact CD1-CB 3.61Å; V640-A649 CarbonylContact O-C 3.6Å; V640-A649 WeakPolarHBondContact O-CA 3.45Å; L641-A649 HydrophobicContact CD2-CB 4.24Å
650	L	98	Very high	90	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.4	173	-78.8	171.9	0	0	0	110.7	I594 W598 V599 V600 V640 W784 I785 T788	I594-L650 HydrophobicContact CD1-CD2 3.83Å; W598-L650 HydrophobicContact CE3-CB 4.12Å; W598-L650 HydrophobicContact CE3-CD1 4.48Å; W598-L650 HydrophobicContact CE3-CD2 4.41Å; W598-L650 HydrophobicContact CZ3-CB 4.16Å; V599-L650 CarbonylContact O-C 3.58Å; V599-L650 WeakPolarHBondContact O-CA 3.3Å; V600-L650 HydrophobicContact CG2-CD2 3.47Å; V600-L650 VanDerWaalsContact CG2-CD2 3.47Å; V640-L650 HydrophobicContact CB-CB 4.24Å; V640-L650 PolarHBondContact N-O 3.25Å; V640-L650 PolarHBondContact O-N 3.24Å; L650-W784 HydrophobicContact CB-CH2 4.05Å; L650-W784 HydrophobicContact CD1-CE3 4.36Å; L650-W784 HydrophobicContact CD1-CH2 3.74Å; L650-W784 HydrophobicContact CD1-CZ2 4.11Å; L650-W784 HydrophobicContact CD1-CZ3 3.86Å; L650-W784 HydrophobicContact CG-CH2 3.56Å; L650-W784 HydrophobicContact CG-CZ2 4.3Å; L650-W784 HydrophobicContact CG-CZ3 3.81Å; L650-I785 HydrophobicContact CD1-CB 4.42Å; L650-I785 HydrophobicContact CD1-CG1 4.26Å; L650-I785 HydrophobicContact CD1-CG2 4.38Å; L650-I785 HydrophobicContact CD2-CG2 4.48Å; L650-T788 HydrophobicContact CD1-CG2 3.77Å
651	L	98.2	Very high	89.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.3	174.5	-42	177.8	0	0	0	108.3	L580 V599 T601 L606 V617 L636 L639	L580-L651 HydrophobicContact CD1-CD1 3.7Å; L580-L651 HydrophobicContact CD2-CD1 4.31Å; V599-L651 HydrophobicContact CB-CB 4.19Å; V599-L651 HydrophobicContact CB-CD1 4.38Å; V599-L651 HydrophobicContact CB-CG 4.48Å; V599-L651 HydrophobicContact CG1-CD1 4Å; V599-L651 HydrophobicContact CG1-CG 4.43Å; V599-L651 PolarHBondContact N-O 3.44Å; V599-L651 PolarHBondContact O-N 3.05Å; T601-L651 HydrophobicContact CG2-CD1 3.87Å; T601-L651 HydrophobicContact CG2-CD2 3.97Å; T601-L651 HydrophobicContact CG2-CG 3.93Å; L606-L651 HydrophobicContact CD1-CD2 3.74Å; L606-L651 HydrophobicContact CD2-CD2 3.93Å; L606-L651 HydrophobicContact CG-CD2 4.43Å; V617-L651 HydrophobicContact CG2-CD1 4.14Å; L636-L651 HydrophobicContact CD1-CB 4.18Å; L636-L651 HydrophobicContact CD1-CD1 4.13Å; L636-L651 HydrophobicContact CD1-CD2 4.19Å; L636-L651 HydrophobicContact CD1-CG 4.41Å; L636-L651 HydrophobicContact CD2-CB 3.82Å; L639-L651 HydrophobicContact CD2-CD2 3.59Å
652	K	97.5	Very high	89	Confident	23 Å²	23	43.2 Å²	43.2	10%	0.1	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.8	171.8	-169.1	179.7	174	-167.3	0	109.1	W598 E637 K638 N792	W598-K652 HydrophobicContact CD2-CB 4.47Å; W598-K652 HydrophobicContact CD2-CG 4.44Å; W598-K652 HydrophobicContact CE3-CB 4.04Å; W598-K652 HydrophobicContact CE3-CG 4.48Å; W598-K652 HydrophobicContact CH2-CB 3.83Å; W598-K652 HydrophobicContact CH2-CD 3.93Å; W598-K652 HydrophobicContact CH2-CG 3.97Å; W598-K652 HydrophobicContact CZ2-CB 4.25Å; W598-K652 HydrophobicContact CZ2-CD 3.83Å; W598-K652 HydrophobicContact CZ2-CG 3.89Å; W598-K652 HydrophobicContact CZ3-CB 3.71Å; W598-K652 HydrophobicContact CZ3-CG 4.27Å; E637-K652 HydrophobicContact CB-CG 4.49Å; E637-K652 PolarHBondContact N-O 3.04Å; E637-K652 IonicContact OE1-NZ 3.25Å; E637-K652 PolarHBondContact OE1-NZ 3.35Å; E637-K652 WeakPolarHBondContact OE2-CE 3.21Å; E637-K652 IonicContact OE2-NZ 2.76Å; E637-K652 PolarHBondContact OE2-NZ 3.31Å; K638-K652 HydrophobicContact CB-CB 3.93Å; K638-K652 PolarHBondContact N-O 3.02Å; K638-K652 PolarHBondContact O-N 2.64Å; K652-N792 HydrophobicContact CD-CB 4.41Å; K652-N792 WeakPolarHBondContact CE-O 3.38Å; K652-N792 PolarHBondContact NZ-O 2.85Å
653	L	93.9	Very high	89	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.2	177	-52.4	-176.9	0	0	0	109.8	L593 Q597 V599 V617 R634 L636 S655	L593-L653 HydrophobicContact CD1-CD1 4.35Å; Q597-L653 PolarHBondContact O-N 2.97Å; V599-L653 HydrophobicContact CG2-CD1 4.41Å; V599-L653 HydrophobicContact CG2-CD2 4.14Å; V617-L653 HydrophobicContact CB-CD2 4Å; V617-L653 HydrophobicContact CG1-CD2 4.25Å; V617-L653 HydrophobicContact CG2-CD2 3.91Å; R634-L653 HydrophobicContact CB-CB 4.33Å; R634-L653 HydrophobicContact CB-CD1 4.22Å; R634-L653 HydrophobicContact CB-CD2 4.09Å; R634-L653 HydrophobicContact CB-CG 4.44Å; R634-L653 HydrophobicContact CG-CD1 4.19Å; L636-L653 HydrophobicContact CD2-CD2 3.65Å; L653-S655 WeakPolarHBondContact CB-O 3.5Å; L653-S655 PolarHBondContact O-N 2.89Å
654	Q	91	Very high	89	Confident	127 Å²	127	40.9 Å²	40.9	59%	0.593	24%	0.241	S	C	*	.	S	Bend	trans	-60.3	-29.9	177.8	-171.6	-178.2	25.7	0	0	112.5	Q635 E637	Q635-Q654 HydrophobicContact CB-CB 4.39Å; Q635-Q654 WeakPolarHBondContact O-CB 3.21Å; Q635-Q654 PolarHBondContact O-N 2.8Å; E637-Q654 HydrophobicContact CB-CB 4.43Å
655	S	80.1	Confident	89.4	Confident	53 Å²	53	33.7 Å²	33.7	37%	0.371	20%	0.204	S	C	.	.	S	Bend	trans	-137.2	148.8	171.8	58.2	0	0	0	0	110.9	R634 L653	R634-S655 VanDerWaalsContact CD-O 3.31Å; R634-S655 WeakPolarHBondContact CD-O 3.08Å; R634-S655 WeakPolarHBondContact CD-OG 3.19Å; R634-S655 PolarHBondContact NE-O 3.41Å; R634-S655 PolarHBondContact NE-OG 3.24Å; L653-S655 WeakPolarHBondContact CB-O 3.5Å; L653-S655 PolarHBondContact O-N 2.89Å
656	P	78.4	Confident	90.2	Very high	66 Å²	66	30.1 Å²	30.1	43%	0.429	17%	0.166	S	C	.	.			trans	-57.5	142.3	177.5	-18.4	26.4	0	0	0	113.1	P596 Q597 R634	P596-P656 HydrophobicContact CB-CB 4.3Å; P596-P656 CarbonylContact O-C 3.42Å; P596-P656 WeakPolarHBondContact O-CA 3.36Å; Q597-P656 HydrophobicContact CG-CB 3.73Å; Q597-P656 HydrophobicContact CG-CG 3.6Å; R634-P656 PolarHBondContact NE-O 2.98Å; R634-P656 PolarHBondContact NH2-O 3Å
657	A	87.4	Confident	90.4	Very high	6 Å²	6	30 Å²	30	5%	0.05	17%	0.166	C	C	.	.			trans	-64.8	140.3	162.3	0	0	0	0	0	109.4	L593 P596 L619 I659 V663	L593-A657 HydrophobicContact CD1-CB 4.45Å; L593-A657 HydrophobicContact CD2-CB 4.35Å; P596-A657 WeakPolarHBondContact O-CB 3.18Å; P596-A657 PolarHBondContact O-N 2.81Å; L619-A657 HydrophobicContact CD1-CB 4.27Å; A657-I659 HydrophobicContact CB-CD1 4.48Å; A657-I659 PolarHBondContact O-N 3.41Å; A657-V663 HydrophobicContact CB-CG1 4.15Å
658	V	82.2	Confident	90.5	Very high	89 Å²	89	30.8 Å²	30.8	54%	0.539	17%	0.169	S	C	.	.			trans	-82.7	113.9	174.2	179.6	0	0	0	0	107.4	Q632	Q632-V658 PolarHBondContact NE2-O 2.97Å
659	I	84.4	Confident	90.5	Very high	51 Å²	51	31.1 Å²	31.1	26%	0.262	17%	0.172	S	C	.	.			trans	-76.6	129.6	-177.6	-55.8	-49	0	0	0	110.3	M547 L593 P596 A657 V663 L664	M547-I659 HydrophobicContact SD-CG2 4.27Å; L593-I659 HydrophobicContact CD2-CD1 4.12Å; P596-I659 HydrophobicContact CB-CD1 4.31Å; P596-I659 HydrophobicContact CB-CG1 4.41Å; P596-I659 HydrophobicContact CG-CD1 4.08Å; P596-I659 HydrophobicContact CG-CG1 3.92Å; A657-I659 HydrophobicContact CB-CD1 4.48Å; A657-I659 PolarHBondContact O-N 3.41Å; I659-V663 CarbonylContact C-O 3.49Å; I659-V663 VanDerWaalsContact CA-O 3.28Å; I659-V663 WeakPolarHBondContact CA-O 3.45Å; I659-L664 HydrophobicContact CG2-CD1 3.77Å
660	N	81.8	Confident	90.2	Very high	45 Å²	45	38.5 Å²	38.5	24%	0.241	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-157.6	-170.6	178.9	62.9	34.1	0	0	0	111.1	K662 V663	N660-K662 PolarHBondContact O-N 3Å; N660-K662 VanDerWaalsContact O-N 3.08Å; N660-K662 WeakPolarHBondContact OD1-CA 3.42Å; N660-K662 PolarHBondContact OD1-N 2.02Å; N660-V663 PolarHBondContact N-O 2.88Å; N660-V663 CarbonylContact O-C 3.5Å; N660-V663 PolarHBondContact O-N 2.88Å; N660-V663 PolarHBondContact OD1-N 3.41Å
661	D	81.3	Confident	89.9	Confident	52 Å²	52	44 Å²	44	28%	0.278	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.1	179	63.5	-36.9	0	0	0	115	V553 Y554	V553-D661 HydrophobicContact CB-CB 4.25Å; V553-D661 HydrophobicContact CG1-CB 4.45Å; V553-D661 HydrophobicContact CG2-CB 3.97Å; Y554-D661 HydrophobicContact CE2-CB 4.32Å; Y554-D661 PolarHBondContact OH-OD2 2.82Å
662	K	89.6	Confident	89.4	Confident	52 Å²	52	46.8 Å²	46.8	23%	0.226	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-12.3	-177	-56.6	175.9	-175.1	66.2	0	113.8	Y554 H572 N660	Y554-K662 HydrophobicContact CE2-CG 4.21Å; H572-K662 HydrophobicContact CB-CB 4.14Å; H572-K662 HydrophobicContact CB-CG 3.96Å; N660-K662 PolarHBondContact O-N 3Å; N660-K662 VanDerWaalsContact O-N 3.08Å; N660-K662 WeakPolarHBondContact OD1-CA 3.42Å; N660-K662 PolarHBondContact OD1-N 2.02Å
663	V	91.3	Very high	89.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-137.5	105.2	179.5	-179.2	0	0	0	0	108.3	P575 L593 L619 A657 I659 N660	P575-V663 WeakPolarHBondContact O-CA 3.18Å; L593-V663 HydrophobicContact CD2-CG1 3.97Å; L619-V663 HydrophobicContact CB-CG1 4.07Å; L619-V663 HydrophobicContact CB-CG2 4Å; L619-V663 HydrophobicContact CD2-CG1 3.93Å; A657-V663 HydrophobicContact CB-CG1 4.15Å; I659-V663 CarbonylContact C-O 3.49Å; I659-V663 VanDerWaalsContact CA-O 3.28Å; I659-V663 WeakPolarHBondContact CA-O 3.45Å; N660-V663 PolarHBondContact N-O 2.88Å; N660-V663 CarbonylContact O-C 3.5Å; N660-V663 PolarHBondContact O-N 2.88Å; N660-V663 PolarHBondContact OD1-N 3.41Å
664	L	92	Very high	88.9	Confident	6 Å²	6	49 Å²	49	3%	0.031	25%	0.254	C	S	.	.			trans	-147.1	136.1	-173.6	-178.8	80.9	0	0	0	108.7	M547 T551 P575 W576 I659	M547-L664 HydrophobicContact CB-CD1 3.97Å; T551-L664 WeakPolarHBondContact O-CD2 3.31Å; P575-L664 CarbonylContact C-O 3.52Å; P575-L664 HydrophobicContact CB-CB 3.89Å; P575-L664 HydrophobicContact CG-CB 3.75Å; P575-L664 HydrophobicContact CG-CD2 4.25Å; P575-L664 PolarHBondContact O-N 2.91Å; W576-L664 WeakPolarHBondContact CA-O 2.94Å; W576-L664 VanDerWaalsContact CB-O 3.28Å; W576-L664 WeakPolarHBondContact CB-O 3.23Å; W576-L664 PolarHBondContact N-O 2.83Å; W576-L664 VanDerWaalsContact N-O 3.14Å; I659-L664 HydrophobicContact CG2-CD1 3.77Å
665	P	94.6	Very high	88.9	Confident	18 Å²	18	43 Å²	43	12%	0.117	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-69.4	151.8	177.5	29.5	-35	0	0	0	112.1	C549 G550 L593	C549-P665 CarbonylContact C-O 3.48Å; C549-P665 VanDerWaalsContact CA-O 3.29Å; C549-P665 WeakPolarHBondContact CA-O 3.15Å; G550-P665 PolarHBondContact N-O 3.03Å; L593-P665 HydrophobicContact CD2-CB 4.48Å; L593-P665 HydrophobicContact CG-CB 4.36Å; L593-P665 VanDerWaalsContact O-CA 3.25Å; L593-P665 WeakPolarHBondContact O-CA 3.31Å
666	V	96.5	Very high	89.1	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-84.7	156	168.9	72.2	0	0	0	0	110.5	W576 T592 L593 I594 V747 Y754 L756	W576-V666 HydrophobicContact CB-CB 3.91Å; W576-V666 HydrophobicContact CB-CG1 4.46Å; W576-V666 HydrophobicContact CD2-CB 3.68Å; W576-V666 HydrophobicContact CD2-CG2 3.95Å; W576-V666 HydrophobicContact CE3-CB 4.02Å; W576-V666 HydrophobicContact CE3-CG2 4.31Å; W576-V666 HydrophobicContact CG-CB 3.65Å; W576-V666 HydrophobicContact CG-CG1 4.46Å; W576-V666 HydrophobicContact CG-CG2 4.28Å; W576-V666 HydrophobicContact CZ2-CG2 4.26Å; T592-V666 HydrophobicContact CG2-CB 4.24Å; T592-V666 HydrophobicContact CG2-CG1 3.44Å; T592-V666 VanDerWaalsContact CG2-CG1 3.44Å; L593-V666 PolarHBondContact O-N 2.75Å; I594-V666 HydrophobicContact CG2-CG1 4.14Å; V666-V747 HydrophobicContact CG2-CG1 3.8Å; V666-Y754 VanDerWaalsContact CG2-O 3.29Å; V666-Y754 WeakPolarHBondContact CG2-O 3.41Å; V666-L756 HydrophobicContact CG1-CB 3.65Å; V666-L756 HydrophobicContact CG1-CD2 4.17Å; V666-L756 HydrophobicContact CG1-CG 4.41Å; V666-L756 HydrophobicContact CG2-CB 4.2Å
667	C	95.2	Very high	89.3	Confident	6 Å²	6	40.4 Å²	40.4	4%	0.041	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-74.5	144.9	172.9	-61.6	0	0	0	0	111.8	C549 Y754 V755 L756	C549-C667 HydrophobicContact CB-CB 4.05Å; C549-C667 WeakPolarHBondContact CB-SG 3.48Å; C549-C667 PolarHBondContact O-SG 2.99Å; C549-C667 WeakPolarHBondContact SG-CA 3.34Å; C549-C667 WeakPolarHBondContact SG-CB 3.42Å; C549-C667 CovalentContact SG-SG 2.05Å; C549-C667 PolarHBondContact SG-SG 3.32Å; C667-Y754 PolarHBondContact N-O 2.73Å; C667-V755 HydrophobicContact CB-CG2 4.26Å; C667-V755 WeakPolarHBondContact O-CA 3.37Å; C667-L756 PolarHBondContact O-N 3.11Å
668	L	95.2	Very high	88.9	Confident	50 Å²	50	41.6 Å²	41.6	26%	0.262	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-84.1	148.3	167.2	-69.7	175.4	0	0	0	110.3	I594 V778 I785	I594-L668 HydrophobicContact CB-CD2 4.3Å; I594-L668 HydrophobicContact CB-CG 4.49Å; I594-L668 HydrophobicContact CD1-CD1 4.36Å; I594-L668 HydrophobicContact CG2-CD2 3.88Å; L668-V778 HydrophobicContact CD2-CG1 3.88Å; L668-I785 HydrophobicContact CD1-CG2 3.97Å; L668-I785 HydrophobicContact CD2-CD1 4.28Å
669	P	94.9	Very high	88.8	Confident	8 Å²	8	38.7 Å²	38.7	5%	0.052	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-75.2	165.2	177.8	31.9	-33.5	0	0	0	110.8	V755 L756 V778 V782	P669-V755 HydrophobicContact CB-CG1 3.72Å; P669-V755 HydrophobicContact CG-CG1 4.49Å; P669-L756 VanDerWaalsContact CD-O 3.22Å; P669-L756 WeakPolarHBondContact CD-O 3.44Å; P669-L756 WeakPolarHBondContact CG-O 3.32Å; P669-V778 HydrophobicContact CG-CB 4.22Å; P669-V778 HydrophobicContact CG-CG1 4.03Å; P669-V782 HydrophobicContact CG-CG2 4.23Å; P669-V782 WeakPolarHBondContact O-CG2 3.28Å
670	E	90.3	Very high	88.8	Confident	155 Å²	155	39.4 Å²	39.4	72%	0.724	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-61.9	147.5	166.7	-66.7	-175.5	-179.3	0	0	110.7	D672 Y673 S779	E670-D672 PolarHBondContact O-N 3.48Å; E670-Y673 VanDerWaalsContact O-CB 3.25Å; E670-Y673 WeakPolarHBondContact O-CB 3.38Å; E670-Y673 PolarHBondContact O-N 2.6Å; E670-S779 WeakPolarHBondContact O-CB 3.18Å
671	K	91.1	Very high	89.1	Confident	114 Å²	114	37.3 Å²	37.3	50%	0.496	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	135.4	178.3	179.6	-169.3	171.7	169	0	110.3	Y673 D783	K671-Y673 PolarHBondContact O-N 2.94Å; K671-D783 WeakPolarHBondContact CD-OD1 3.25Å; K671-D783 WeakPolarHBondContact CE-OD2 3.46Å; K671-D783 IonicContact NZ-OD1 2.79Å; K671-D783 IonicContact NZ-OD2 3.09Å; K671-D783 PolarHBondContact NZ-OD2 2.92Å
672	D	89.4	Confident	89.4	Confident	60 Å²	60	35.3 Å²	35.3	32%	0.321	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	5.5	176.8	-69.5	-56.8	0	0	0	116.1	N216 E670 I674 S779 K780	N216-D672 PolarHBondContact ND2-O 3.07Å; E670-D672 PolarHBondContact O-N 3.48Å; D672-I674 PolarHBondContact O-N 2.95Å; D672-S779 PolarHBondContact N-O 3.16Å; D672-K780 WeakPolarHBondContact OD1-CD 3.39Å; D672-K780 WeakPolarHBondContact OD1-CE 3.44Å; D672-K780 IonicContact OD1-NZ 3.04Å; D672-K780 PolarHBondContact OD1-NZ 2.86Å
673	Y	90.5	Very high	89.4	Confident	59 Å²	59	33.1 Å²	33.1	23%	0.231	18%	0.175	C	C	.	.			trans	-56.4	133.8	176.7	-179.5	-101.8	0	0	0	112.1	E670 K671 V675 E750 S779	E670-Y673 VanDerWaalsContact O-CB 3.25Å; E670-Y673 WeakPolarHBondContact O-CB 3.38Å; E670-Y673 PolarHBondContact O-N 2.6Å; K671-Y673 PolarHBondContact O-N 2.94Å; Y673-V675 HydrophobicContact CD1-CG2 4.22Å; Y673-V675 HydrophobicContact CE1-CB 4.4Å; Y673-V675 HydrophobicContact CE1-CG2 3.94Å; Y673-E750 PolarHBondContact OH-OE1 3.34Å; Y673-S779 VanDerWaalsContact O-CB 3.3Å; Y673-S779 WeakPolarHBondContact O-CB 3.47Å; Y673-S779 PolarHBondContact O-OG 3.46Å
674	I	90.6	Very high	89.3	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.051	18%	0.175	C	C	.	.			trans	-111.7	113.2	174.7	-58.5	-60	0	0	0	108.9	N216 G218 D672 P676	N216-I674 HydrophobicContact CB-CG1 4.24Å; N216-I674 VanDerWaalsContact ND2-CD1 3.27Å; N216-I674 WeakPolarHBondContact ND2-CD1 3.38Å; N216-I674 VanDerWaalsContact ND2-CG1 3.33Å; N216-I674 WeakPolarHBondContact ND2-CG1 3.48Å; G218-I674 VanDerWaalsContact N-CG2 3.27Å; D672-I674 PolarHBondContact O-N 2.95Å; I674-P676 WeakPolarHBondContact O-CD 3.45Å
675	V	89.9	Confident	89.1	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.012	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-58.9	125.5	176.1	-171.6	0	0	0	0	110.1	Y673 T679 V705 M726 Q757	Y673-V675 HydrophobicContact CD1-CG2 4.22Å; Y673-V675 HydrophobicContact CE1-CB 4.4Å; Y673-V675 HydrophobicContact CE1-CG2 3.94Å; V675-T679 HydrophobicContact CG1-CG2 3.68Å; V675-V705 HydrophobicContact CB-CG1 4.23Å; V675-V705 HydrophobicContact CB-CG2 4.42Å; V675-V705 HydrophobicContact CG1-CB 4.27Å; V675-V705 HydrophobicContact CG1-CG1 4.28Å; V675-V705 HydrophobicContact CG1-CG2 3.87Å; V675-M726 HydrophobicContact CB-CE 4.46Å; V675-M726 HydrophobicContact CG2-CE 4.17Å; V675-Q757 HydrophobicContact CG2-CB 3.74Å; V675-Q757 HydrophobicContact CG2-CG 3.53Å
676	P	85.5	Confident	88.7	Confident	14 Å²	14	33.3 Å²	33.3	9%	0.091	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-59	145.8	178.3	-25.7	34.7	0	0	0	113.1	T223 I674 T679	T223-P676 HydrophobicContact CG2-CG 4.22Å; I674-P676 WeakPolarHBondContact O-CD 3.45Å; P676-T679 VanDerWaalsContact O-CB 3.24Å; P676-T679 WeakPolarHBondContact O-CB 3.31Å; P676-T679 PolarHBondContact O-N 3.24Å; P676-T679 PolarHBondContact O-OG1 3.44Å
677	S	82.5	Confident	87.4	Confident	49 Å²	49	33.7 Å²	33.7	34%	0.343	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	141.4	176.2	-161	0	0	0	0	111.2	T679 V705 E707	S677-T679 PolarHBondContact O-N 2.83Å; S677-V705 PolarHBondContact OG-O 3.17Å; S677-E707 PolarHBondContact OG-N 3.28Å
678	G	77.4	Confident	85.5	Confident	32 Å²	32	39 Å²	39	33%	0.33	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	6.1	-176.4	0	0	0	0	0	114.2	K391 E680 V705	K391-G678 PolarHBondContact NZ-O 3.23Å; K391-G678 VanDerWaalsContact NZ-O 3.13Å; G678-E680 PolarHBondContact O-N 3.01Å; G678-V705 PolarHBondContact N-O 2.99Å
679	T	81.5	Confident	83.4	Confident	27 Å²	27	37.8 Å²	37.8	17%	0.166	20%	0.198	C	C	.	.			trans	-67.1	129.7	167.9	-58.7	0	0	0	0	109.4	V675 P676 S677 P704 V705 C748	V675-T679 HydrophobicContact CG1-CG2 3.68Å; P676-T679 VanDerWaalsContact O-CB 3.24Å; P676-T679 WeakPolarHBondContact O-CB 3.31Å; P676-T679 PolarHBondContact O-N 3.24Å; P676-T679 PolarHBondContact O-OG1 3.44Å; S677-T679 PolarHBondContact O-N 2.83Å; T679-P704 CarbonylContact O-C 3.56Å; T679-P704 WeakPolarHBondContact O-CA 3.33Å; T679-V705 PolarHBondContact O-N 3.37Å; T679-C748 HydrophobicContact CG2-CB 4.3Å
680	E	83.8	Confident	80.7	Confident	67 Å²	67	45.5 Å²	45.5	31%	0.313	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.5	178.8	-55.4	-173.9	172.2	0	0	109.7	F560 G678	F560-E680 HydrophobicContact CD2-CB 4.04Å; F560-E680 HydrophobicContact CD2-CG 4.02Å; F560-E680 HydrophobicContact CE1-CG 4.35Å; F560-E680 WeakPolarHBondContact CE1-OE1 3.37Å; F560-E680 HydrophobicContact CE2-CB 3.66Å; F560-E680 HydrophobicContact CE2-CG 3.37Å; F560-E680 HydrophobicContact CZ-CB 4.36Å; F560-E680 HydrophobicContact CZ-CG 3.56Å; F560-E680 WeakPolarHBondContact CZ-OE1 3.26Å; G678-E680 PolarHBondContact O-N 3.01Å
681	C	87.7	Confident	78.1	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.6	178.8	-54.5	0	0	0	0	109.7	G702 F703 V705 L746 V747 C748	C681-G702 CarbonylContact O-C 3.57Å; C681-G702 VanDerWaalsContact O-CA 3.3Å; C681-G702 WeakPolarHBondContact O-CA 3.49Å; C681-F703 PolarHBondContact N-O 3.05Å; C681-F703 PolarHBondContact O-N 3.26Å; C681-F703 VanDerWaalsContact O-O 3.13Å; C681-V705 HydrophobicContact CB-CG2 4.35Å; C681-V705 WeakPolarHBondContact SG-CG2 3.11Å; C681-L746 HydrophobicContact CB-CD1 3.87Å; C681-L746 HydrophobicContact CB-CG 4.17Å; C681-V747 CarbonylContact C-O 3.49Å; C681-V747 VanDerWaalsContact CA-O 3.28Å; C681-V747 WeakPolarHBondContact CA-O 3.5Å; C681-V747 WeakPolarHBondContact CB-O 3.34Å; C681-C748 HydrophobicContact CB-CB 4.07Å; C681-C748 WeakPolarHBondContact CB-SG 3.4Å; C681-C748 WeakPolarHBondContact SG-CB 3Å; C681-C748 CovalentContact SG-SG 2.02Å; C681-C748 PolarHBondContact SG-SG 3.28Å
682	Y	88.6	Confident	75.7	Confident	11 Å²	11	40.7 Å²	40.7	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.5	-173.6	-58.9	-88.6	0	0	0	110.2	R558 W574 A701 G702 L746 V747 Y754	R558-Y682 HydrophobicContact CB-CE1 4.05Å; R558-Y682 WeakPolarHBondContact CB-OH 3.39Å; R558-Y682 HydrophobicContact CG-CE1 4.5Å; W574-Y682 HydrophobicContact CH2-CD2 4.02Å; W574-Y682 AromaticContact CH2-CG 3.86Å; W574-Y682 HydrophobicContact CH2-CG 3.86Å; W574-Y682 HydrophobicContact CZ2-CG 4.14Å; Y682-A701 VanDerWaalsContact CA-O 3.3Å; Y682-A701 WeakPolarHBondContact CA-O 3.41Å; Y682-G702 VanDerWaalsContact CD1-CA 3.44Å; Y682-L746 WeakPolarHBondContact O-CA 3.36Å; Y682-V747 PolarHBondContact N-O 2.02Å; Y682-V747 WeakPolarHBondContact O-CG2 3.48Å; Y682-V747 PolarHBondContact O-N 3.26Å; Y682-Y754 HydrophobicContact CD2-CE1 4.19Å; Y682-Y754 HydrophobicContact CE2-CE1 4.48Å
683	V	88.4	Confident	73.4	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144.4	165.9	69.9	0	0	0	0	109.2	E700 A701 F703 P745 L746 Y775	V683-E700 WeakPolarHBondContact O-CA 3.45Å; V683-A701 HydrophobicContact CG1-CB 4.01Å; V683-A701 PolarHBondContact N-O 2.04Å; V683-A701 PolarHBondContact O-N 3.44Å; V683-F703 HydrophobicContact CB-CE1 4.25Å; V683-F703 HydrophobicContact CB-CZ 3.86Å; V683-F703 HydrophobicContact CG1-CE1 3.48Å; V683-F703 VanDerWaalsContact CG1-CE1 3.48Å; V683-F703 HydrophobicContact CG1-CZ 3.59Å; V683-P745 WeakPolarHBondContact CA-O 3.42Å; V683-L746 HydrophobicContact CB-CD1 4.49Å; V683-Y775 HydrophobicContact CG2-CE1 4.46Å
684	T	89.5	Confident	71.6	Confident	2 Å²	2	40 Å²	40	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.8	178.4	55.8	0	0	0	0	111.4	W574 Q577 K699 E700 P745	W574-T684 HydrophobicContact CB-CG2 4.34Å; W574-T684 HydrophobicContact CD2-CG2 3.66Å; W574-T684 HydrophobicContact CE3-CG2 4.4Å; W574-T684 HydrophobicContact CG-CG2 3.62Å; W574-T684 HydrophobicContact CZ2-CG2 4.25Å; Q577-T684 PolarHBondContact OE1-O 3.06Å; Q577-T684 VanDerWaalsContact OE1-O 3.1Å; Q577-T684 PolarHBondContact OE1-OG1 3.23Å; T684-K699 VanDerWaalsContact CA-O 3.29Å; T684-K699 WeakPolarHBondContact CA-O 2.94Å; T684-E700 HydrophobicContact CG2-CB 3.89Å; T684-P745 VanDerWaalsContact OG1-CG 3.24Å; T684-P745 WeakPolarHBondContact OG1-CG 3.47Å
685	G	88.9	Confident	70.1	Confident	5 Å²	5	47.5 Å²	47.5	5%	0.052	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-175.2	178.6	0	0	0	0	0	113.7	K699 D741	G685-K699 PolarHBondContact N-O 2.66Å; G685-K699 PolarHBondContact O-N 2.91Å; G685-D741 VanDerWaalsContact C-OD1 3.27Å; G685-D741 WeakPolarHBondContact CA-OD1 3.21Å
686	W	85.6	Confident	69.6	Low	21 Å²	21	48.2 Å²	48.2	8%	0.08	31%	0.307	C	S	.	.			trans	-110.1	10	-177.8	-65.7	-86.8	0	0	0	112.1	Q577 H587 I621 H622 E624 V697 L698 D741	Q577-W686 HydrophobicContact CG-CH2 3.55Å; Q577-W686 HydrophobicContact CG-CZ3 3.62Å; H587-W686 AromaticContact CE1-CE3 3.97Å; I621-W686 HydrophobicContact CD1-CH2 4.26Å; I621-W686 HydrophobicContact CD1-CZ2 4.13Å; I621-W686 HydrophobicContact CG1-CH2 4.04Å; I621-W686 HydrophobicContact CG1-CZ2 3.88Å; H622-W686 PolarHBondContact O-NE1 2.86Å; E624-W686 HydrophobicContact CB-CG 4.24Å; E624-W686 HydrophobicContact CG-CB 4.49Å; E624-W686 HydrophobicContact CG-CG 4.39Å; W686-V697 VanDerWaalsContact CD1-C 3.42Å; W686-L698 HydrophobicContact CD2-CD1 3.96Å; W686-L698 HydrophobicContact CE3-CD1 4.15Å; W686-L698 HydrophobicContact CH2-CD1 3.97Å; W686-L698 HydrophobicContact CZ2-CB 4.05Å; W686-L698 HydrophobicContact CZ2-CD1 3.76Å; W686-L698 HydrophobicContact CZ2-CG 4.32Å; W686-L698 HydrophobicContact CZ3-CD1 4.16Å; W686-D741 PolarHBondContact N-OD1 3.35Å
687	G	69.1	Low	69.7	Low	9 Å²	9	48.1 Å²	48.1	9%	0.093	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-62.7	163.2	-172.8	0	0	0	0	0	115.7	Q739 D741	G687-Q739 CarbonylContact C-O 3.51Å; G687-Q739 WeakPolarHBondContact CA-O 3.47Å; G687-D741 WeakPolarHBondContact CA-OD1 3.49Å; G687-D741 PolarHBondContact N-OD1 3.45Å
688	E	55	Low	70.1	Confident	119 Å²	119	45.9 Å²	45.9	56%	0.556	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-88.3	121.2	-169.9	-168.9	129	-146.7	0	0	112.2	C738 Q739	E688-C738 WeakPolarHBondContact O-CB 2.99Å; E688-Q739 PolarHBondContact N-O 2.59Å
689	T	50.2	Low	70.5	Confident	24 Å²	24	46.6 Å²	46.6	15%	0.147	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-90	117.9	171.7	35.4	0	0	0	0	109.4	G691 T692 K699	T689-G691 PolarHBondContact O-N 2.81Å; T689-T692 PolarHBondContact O-N 3.43Å; T689-T692 PolarHBondContact O-OG1 2.79Å; T689-T692 PolarHBondContact OG1-O 3.39Å; T689-T692 PolarHBondContact OG1-OG1 3.47Å; T689-T692 VanDerWaalsContact OG1-OG1 3.08Å; T689-K699 PolarHBondContact OG1-NZ 3.47Å
690	Q	39.3	Very low	70.7	Confident	169 Å²	169	45.4 Å²	45.4	79%	0.79	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.6	106.2	-175.8	-67.9	-164.5	-7	0	0	113.3
691	G	35.8	Very low	70.6	Confident	81 Å²	81	42.7 Å²	42.7	84%	0.835	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-0.7	172.1	0	0	0	0	0	117	T689	T689-G691 PolarHBondContact O-N 2.81Å
692	T	40.3	Very low	70.2	Confident	88 Å²	88	42.8 Å²	42.8	54%	0.54	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-123.9	86.3	169.9	49.3	0	0	0	0	108.4	T689 G694	T689-T692 PolarHBondContact O-N 3.43Å; T689-T692 PolarHBondContact O-OG1 2.79Å; T689-T692 PolarHBondContact OG1-O 3.39Å; T689-T692 PolarHBondContact OG1-OG1 3.47Å; T689-T692 VanDerWaalsContact OG1-OG1 3.08Å; T692-G694 PolarHBondContact O-N 3.35Å
693	G	40.9	Very low	69.8	Low	59 Å²	59	42.5 Å²	42.5	61%	0.608	27%	0.266	S	S	*	.			trans	-51.6	114.6	172	0	0	0	0	0	108.7
694	G	52.5	Low	69.5	Low	44 Å²	44	43.8 Å²	43.8	45%	0.454	28%	0.275	S	S	.	.			trans	-67.2	144.4	-174	0	0	0	0	0	110.9	T692 G696	T692-G694 PolarHBondContact O-N 3.35Å; G694-G696 PolarHBondContact O-N 2.81Å
695	E	59.4	Low	69.4	Low	168 Å²	168	43.8 Å²	43.8	79%	0.785	28%	0.275	S	S	*	.			trans	-64.8	17.5	176.1	-58.4	-174.9	153.5	0	0	114.2
696	G	79.3	Confident	69.3	Low	17 Å²	17	44 Å²	44	18%	0.175	28%	0.275	C	S	.	.	S	Bend	trans	67.5	33.3	-179.1	0	0	0	0	0	113.6	R623 E624 G694	R623-G696 CarbonylContact C-O 3.53Å; R623-G696 WeakPolarHBondContact CA-O 3.43Å; E624-G696 PolarHBondContact N-O 3.49Å; G694-G696 PolarHBondContact O-N 2.81Å
697	V	88.5	Confident	69.4	Low	12 Å²	12	43.1 Å²	43.1	7%	0.073	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-112.4	148.9	178.4	-67	0	0	0	0	111.4	E568 H622 R623 W686 K699	E568-V697 HydrophobicContact CG-CB 4.17Å; E568-V697 HydrophobicContact CG-CG2 3.87Å; H622-V697 CarbonylContact O-C 3.47Å; R623-V697 HydrophobicContact CG-CG1 4.24Å; W686-V697 VanDerWaalsContact CD1-C 3.42Å; V697-K699 PolarHBondContact O-N 3.35Å
698	L	89.8	Confident	70.3	Confident	3 Å²	3	43 Å²	43	2%	0.016	27%	0.269	C	S	.	.			trans	-66.6	130.3	179.5	-177.6	66.4	0	0	0	109.8	A569 W574 Q577 H622 W686	A569-L698 HydrophobicContact CB-CB 4.47Å; A569-L698 HydrophobicContact CB-CD2 4.3Å; A569-L698 HydrophobicContact CB-CG 4.12Å; A569-L698 WeakPolarHBondContact CB-O 3.26Å; A569-L698 PolarHBondContact N-O 3.2Å; W574-L698 HydrophobicContact CB-CD2 4.49Å; Q577-L698 HydrophobicContact CG-CD1 3.9Å; Q577-L698 HydrophobicContact CG-CD2 4.36Å; H622-L698 WeakPolarHBondContact O-CB 3.31Å; H622-L698 PolarHBondContact O-N 3.06Å; W686-L698 HydrophobicContact CD2-CD1 3.96Å; W686-L698 HydrophobicContact CE3-CD1 4.15Å; W686-L698 HydrophobicContact CH2-CD1 3.97Å; W686-L698 HydrophobicContact CZ2-CB 4.05Å; W686-L698 HydrophobicContact CZ2-CD1 3.76Å; W686-L698 HydrophobicContact CZ2-CG 4.32Å; W686-L698 HydrophobicContact CZ3-CD1 4.16Å
699	K	86.4	Confident	71.8	Confident	46 Å²	46	38 Å²	38	20%	0.2	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	157.5	176.8	-64.2	-177.7	-178.2	178.4	0	111.4	C567 T684 G685 T689 V697	C567-K699 CarbonylContact O-C 3.52Å; C567-K699 WeakPolarHBondContact O-CA 2.99Å; C567-K699 WeakPolarHBondContact O-CB 3.33Å; T684-K699 VanDerWaalsContact CA-O 3.29Å; T684-K699 WeakPolarHBondContact CA-O 2.94Å; G685-K699 PolarHBondContact N-O 2.66Å; G685-K699 PolarHBondContact O-N 2.91Å; T689-K699 PolarHBondContact OG1-NZ 3.47Å; V697-K699 PolarHBondContact O-N 3.35Å
700	E	85.6	Confident	73.4	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.6	170.7	63.4	176.6	-124	0	0	110.8	K557 R558 C559 G566 C567 A569 W574 V683 T684	K557-E700 VanDerWaalsContact C-OE1 3.3Å; K557-E700 WeakPolarHBondContact CA-OE1 3.31Å; K557-E700 WeakPolarHBondContact CB-OE1 3.44Å; K557-E700 PolarHBondContact N-OE1 3.02Å; R558-E700 WeakPolarHBondContact CA-OE1 3.38Å; R558-E700 PolarHBondContact N-OE1 3.3Å; C559-E700 HydrophobicContact CB-CG 4.23Å; C559-E700 PolarHBondContact N-OE1 2.87Å; G566-E700 CarbonylContact C-O 3.58Å; G566-E700 VanDerWaalsContact CA-O 3.3Å; G566-E700 WeakPolarHBondContact CA-O 3.23Å; C567-E700 PolarHBondContact N-O 3.49Å; C567-E700 PolarHBondContact O-N 2.95Å; C567-E700 WeakPolarHBondContact SG-CG 3.44Å; A569-E700 HydrophobicContact CB-CB 4.18Å; A569-E700 HydrophobicContact CB-CG 4.12Å; W574-E700 HydrophobicContact CZ2-CB 4.45Å; W574-E700 PolarHBondContact NE1-OE2 3.41Å; V683-E700 WeakPolarHBondContact O-CA 3.45Å; T684-E700 HydrophobicContact CG2-CB 3.89Å
701	A	81.3	Confident	75.6	Confident	10 Å²	10	32.3 Å²	32.3	8%	0.083	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	127.1	174.7	0	0	0	0	0	110.5	Y682 V683 F703 I735	Y682-A701 VanDerWaalsContact CA-O 3.3Å; Y682-A701 WeakPolarHBondContact CA-O 3.41Å; V683-A701 HydrophobicContact CG1-CB 4.01Å; V683-A701 PolarHBondContact N-O 2.04Å; V683-A701 PolarHBondContact O-N 3.44Å; A701-F703 HydrophobicContact CB-CE1 4.38Å; A701-I735 HydrophobicContact CB-CG2 3.78Å
702	G	80.5	Confident	78	Confident	3 Å²	3	30.5 Å²	30.5	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134	178.4	0	0	0	0	0	112.7	C559 C681 Y682	C559-G702 WeakPolarHBondContact O-CA 3.12Å; C559-G702 PolarHBondContact O-N 3.47Å; C681-G702 CarbonylContact O-C 3.57Å; C681-G702 VanDerWaalsContact O-CA 3.3Å; C681-G702 WeakPolarHBondContact O-CA 3.49Å; Y682-G702 VanDerWaalsContact CD1-CA 3.44Å
703	F	79.5	Confident	80	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	161.3	176.2	40.7	-105.8	0	0	0	112	C681 V683 A701 A728 G729 I735 L746 Y775	C681-F703 PolarHBondContact N-O 3.05Å; C681-F703 PolarHBondContact O-N 3.26Å; C681-F703 VanDerWaalsContact O-O 3.13Å; V683-F703 HydrophobicContact CB-CE1 4.25Å; V683-F703 HydrophobicContact CB-CZ 3.86Å; V683-F703 HydrophobicContact CG1-CE1 3.48Å; V683-F703 VanDerWaalsContact CG1-CE1 3.48Å; V683-F703 HydrophobicContact CG1-CZ 3.59Å; A701-F703 HydrophobicContact CB-CE1 4.38Å; F703-A728 HydrophobicContact CD2-CB 3.7Å; F703-A728 HydrophobicContact CE2-CB 3.5Å; F703-G729 VanDerWaalsContact CD2-N 3.27Å; F703-I735 HydrophobicContact CD1-CG2 4.05Å; F703-L746 HydrophobicContact CE2-CD1 3.63Å; F703-L746 HydrophobicContact CZ-CD1 4.02Å; F703-Y775 HydrophobicContact CE2-CE2 4.47Å; F703-Y775 WeakPolarHBondContact CZ-OH 3.42Å
704	P	82.6	Confident	81.5	Confident	34 Å²	34	30.9 Å²	30.9	22%	0.221	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	147.8	-179.9	29.7	-34.8	0	0	0	112.7	T679 A728 G729	T679-P704 CarbonylContact O-C 3.56Å; T679-P704 WeakPolarHBondContact O-CA 3.33Å; P704-A728 WeakPolarHBondContact O-CA 3.33Å; P704-G729 PolarHBondContact O-N 2.76Å
705	V	86.9	Confident	82.3	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	140.1	164	172.3	0	0	0	0	109.9	V675 S677 G678 T679 C681 M726 A728	V675-V705 HydrophobicContact CB-CG1 4.23Å; V675-V705 HydrophobicContact CB-CG2 4.42Å; V675-V705 HydrophobicContact CG1-CB 4.27Å; V675-V705 HydrophobicContact CG1-CG1 4.28Å; V675-V705 HydrophobicContact CG1-CG2 3.87Å; S677-V705 PolarHBondContact OG-O 3.17Å; G678-V705 PolarHBondContact N-O 2.99Å; T679-V705 PolarHBondContact O-N 3.37Å; C681-V705 HydrophobicContact CB-CG2 4.35Å; C681-V705 WeakPolarHBondContact SG-CG2 3.11Å; V705-M726 HydrophobicContact CG1-CE 4.09Å; V705-M726 HydrophobicContact CG2-CE 3.83Å; V705-A728 HydrophobicContact CG2-CB 4.32Å
706	I	86	Confident	83.1	Confident	9 Å²	9	23.8 Å²	23.8	5%	0.046	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.8	176.9	-58.6	170.3	0	0	0	107.7	K710 C711 C727 I731 P772	I706-K710 HydrophobicContact CG2-CB 4Å; I706-K710 HydrophobicContact CG2-CD 4.26Å; I706-K710 HydrophobicContact CG2-CG 4.12Å; I706-C711 HydrophobicContact CG2-CB 4.07Å; I706-C727 HydrophobicContact CB-CB 4.09Å; I706-C727 PolarHBondContact N-O 2.88Å; I706-I731 HydrophobicContact CD1-CG2 3.82Å; I706-P772 HydrophobicContact CD1-CB 3.74Å; I706-P772 HydrophobicContact CD1-CG 3.97Å
707	E	87.9	Confident	83.2	Confident	2 Å²	2	23 Å²	23	1%	0.009	13%	0.128	C	C	.	.			trans	-60.2	140.3	178.5	-175.7	68.3	174.7	0	0	111.5	G218 Y219 R253 S677 K709 K710 C711	G218-E707 PolarHBondContact N-OE1 2.53Å; Y219-E707 HydrophobicContact CE2-CG 3.77Å; R253-E707 IonicContact NH2-OE1 3.41Å; S677-E707 PolarHBondContact OG-N 3.28Å; E707-K709 HydrophobicContact CG-CB 4.38Å; E707-K709 PolarHBondContact O-N 3.26Å; E707-K710 PolarHBondContact O-N 2.02Å; E707-C711 PolarHBondContact O-N 3.38Å
708	N	89.3	Confident	82.9	Confident	8 Å²	8	25.7 Å²	25.7	4%	0.043	15%	0.147	C	C	.	.	H	α-helix	trans	-54.6	-33	-176	-73.3	27.1	0	0	0	112.7	K710 C711 N712 R722 E725 R777	N708-K710 PolarHBondContact O-N 3.13Å; N708-C711 PolarHBondContact O-N 2.02Å; N708-N712 WeakPolarHBondContact O-CB 3.19Å; N708-N712 PolarHBondContact O-N 3.13Å; N708-N712 PolarHBondContact O-ND2 2.91Å; N708-R722 PolarHBondContact ND2-O 3.39Å; N708-E725 PolarHBondContact ND2-O 3.24Å; N708-E725 PolarHBondContact OD1-O 2.93Å; N708-R777 PolarHBondContact OD1-NH2 2.69Å
709	K	86.5	Confident	82.6	Confident	12 Å²	12	28.2 Å²	28.2	5%	0.052	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-45.7	174.6	174.6	171	172.6	-79.4	0	111.9	D238 D240 W244 W254 E707	D238-K709 IonicContact OD1-NZ 2.9Å; D238-K709 IonicContact OD2-NZ 3.75Å; D238-K709 PolarHBondContact OD2-NZ 2.81Å; D240-K709 IonicContact OD2-NZ 3.52Å; D240-K709 PolarHBondContact OD2-NZ 3.4Å; W244-K709 HydrophobicContact CE3-CD 4.36Å; W244-K709 HydrophobicContact CH2-CD 3.8Å; W244-K709 HydrophobicContact CZ2-CD 3.95Å; W244-K709 HydrophobicContact CZ3-CD 4.01Å; W254-K709 HydrophobicContact CD2-CD 3.79Å; W254-K709 VanDerWaalsContact CD2-CE 3.46Å; W254-K709 HydrophobicContact CD2-CG 4.38Å; W254-K709 HydrophobicContact CE3-CD 4.35Å; W254-K709 HydrophobicContact CG-CD 3.96Å; W254-K709 HydrophobicContact CZ2-CD 4.22Å; W254-K709 HydrophobicContact CZ2-CG 4.02Å; E707-K709 HydrophobicContact CG-CB 4.38Å; E707-K709 PolarHBondContact O-N 3.26Å
710	K	83.2	Confident	82.6	Confident	75 Å²	75	33 Å²	33	33%	0.326	19%	0.19	S	C	.	.	H	α-helix	trans	-72.4	-44.6	176.7	-172.6	171.5	-178.5	176.9	0	110.8	I706 E707 N708 N712 Q713 Y716	I706-K710 HydrophobicContact CG2-CB 4Å; I706-K710 HydrophobicContact CG2-CD 4.26Å; I706-K710 HydrophobicContact CG2-CG 4.12Å; E707-K710 PolarHBondContact O-N 2.02Å; N708-K710 PolarHBondContact O-N 3.13Å; K710-N712 PolarHBondContact O-N 3.47Å; K710-Q713 WeakPolarHBondContact O-CB 3.39Å; K710-Q713 WeakPolarHBondContact O-CG 3.34Å; K710-Q713 PolarHBondContact O-N 2.8Å; K710-Y716 HydrophobicContact CG-CE2 4.37Å; K710-Y716 WeakPolarHBondContact O-CD2 3.27Å
711	C	85.5	Confident	82.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-31.1	-179.7	-162.3	0	0	0	0	113.4	I706 E707 N708 Y716 L717 C727	I706-C711 HydrophobicContact CG2-CB 4.07Å; E707-C711 PolarHBondContact O-N 3.38Å; N708-C711 PolarHBondContact O-N 2.02Å; C711-Y716 VanDerWaalsContact O-CB 3.28Å; C711-Y716 WeakPolarHBondContact O-CB 3.35Å; C711-L717 WeakPolarHBondContact O-CB 3.43Å; C711-L717 PolarHBondContact O-N 2.86Å; C711-L717 VanDerWaalsContact SG-CD1 3.57Å; C711-C727 HydrophobicContact CB-CB 3.66Å; C711-C727 WeakPolarHBondContact CB-SG 3.18Å; C711-C727 WeakPolarHBondContact SG-CB 3.38Å; C711-C727 CovalentContact SG-SG 2.02Å; C711-C727 PolarHBondContact SG-SG 3.29Å
712	N	87.2	Confident	83.2	Confident	43 Å²	43	40 Å²	40	23%	0.23	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	0.8	177.8	-82	-34.4	0	0	0	114.8	N708 K710 G719 R720 V721	N708-N712 WeakPolarHBondContact O-CB 3.19Å; N708-N712 PolarHBondContact O-N 3.13Å; N708-N712 PolarHBondContact O-ND2 2.91Å; K710-N712 PolarHBondContact O-N 3.47Å; N712-G719 PolarHBondContact O-N 2.74Å; N712-G719 VanDerWaalsContact OD1-C 3.23Å; N712-G719 VanDerWaalsContact OD1-CA 3.26Å; N712-G719 WeakPolarHBondContact OD1-CA 3.39Å; N712-G719 PolarHBondContact OD1-N 3.19Å; N712-R720 PolarHBondContact OD1-N 2.92Å; N712-V721 PolarHBondContact ND2-O 3.29Å; N712-V721 WeakPolarHBondContact OD1-CB 3.48Å; N712-V721 PolarHBondContact OD1-N 2.97Å
713	Q	80.9	Confident	83.6	Confident	42 Å²	42	43.9 Å²	43.9	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-61.3	152.5	173.3	-69.9	177	-15.6	0	0	110.8	K710 S715 Y716 S718	K710-Q713 WeakPolarHBondContact O-CB 3.39Å; K710-Q713 WeakPolarHBondContact O-CG 3.34Å; K710-Q713 PolarHBondContact O-N 2.8Å; Q713-S715 PolarHBondContact O-N 3.33Å; Q713-S715 VanDerWaalsContact O-N 3.12Å; Q713-Y716 HydrophobicContact CB-CD2 3.99Å; Q713-Y716 HydrophobicContact CB-CE2 4.49Å; Q713-Y716 PolarHBondContact O-N 2.81Å; Q713-S718 PolarHBondContact O-N 2.01Å
714	P	73.4	Confident	84.1	Confident	112 Å²	112	46.3 Å²	46.3	73%	0.727	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.7	-177.3	-27.2	35.5	0	0	0	114.5	Y716 S718	P714-Y716 PolarHBondContact O-N 3.1Å; P714-S718 WeakPolarHBondContact CA-OG 3.08Å; P714-S718 PolarHBondContact O-OG 3.1Å
715	S	68.8	Low	84.6	Confident	42 Å²	42	45.7 Å²	45.7	29%	0.294	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.2	177.2	49.9	0	0	0	0	114.5	Q713	Q713-S715 PolarHBondContact O-N 3.33Å; Q713-S715 VanDerWaalsContact O-N 3.12Å
716	Y	75.9	Confident	84.9	Confident	21 Å²	21	45.6 Å²	45.6	8%	0.082	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-105.2	-178.9	-58.5	-88.7	0	0	0	110.6	K710 C711 Q713 P714 I731 M770	K710-Y716 HydrophobicContact CG-CE2 4.37Å; K710-Y716 WeakPolarHBondContact O-CD2 3.27Å; C711-Y716 VanDerWaalsContact O-CB 3.28Å; C711-Y716 WeakPolarHBondContact O-CB 3.35Å; Q713-Y716 HydrophobicContact CB-CD2 3.99Å; Q713-Y716 HydrophobicContact CB-CE2 4.49Å; Q713-Y716 PolarHBondContact O-N 2.81Å; P714-Y716 PolarHBondContact O-N 3.1Å; Y716-I731 HydrophobicContact CE1-CB 4.2Å; Y716-I731 HydrophobicContact CE1-CG2 3.73Å; Y716-M770 WeakPolarHBondContact CA-O 3.16Å; Y716-M770 HydrophobicContact CD1-CB 4.25Å; Y716-M770 HydrophobicContact CD1-CE 3.85Å; Y716-M770 VanDerWaalsContact CD1-O 3.3Å; Y716-M770 WeakPolarHBondContact CD1-O 2.99Å; Y716-M770 HydrophobicContact CD1-SD 4.35Å; Y716-M770 HydrophobicContact CD2-CE 4.31Å; Y716-M770 HydrophobicContact CE1-CB 4.5Å; Y716-M770 HydrophobicContact CE1-CE 3.37Å; Y716-M770 HydrophobicContact CE1-SD 3.69Å; Y716-M770 HydrophobicContact CE2-CE 3.93Å; Y716-M770 HydrophobicContact CG-CE 4.29Å; Y716-M770 VanDerWaalsContact CZ-CE 3.43Å
717	L	80.9	Confident	85	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2.5	-175.2	-59.6	-177.2	0	0	0	114.1	C711 G719 R720 V721 W762 L764 V774	C711-L717 WeakPolarHBondContact O-CB 3.43Å; C711-L717 PolarHBondContact O-N 2.86Å; C711-L717 VanDerWaalsContact SG-CD1 3.57Å; L717-G719 PolarHBondContact O-N 2.93Å; L717-R720 WeakPolarHBondContact O-CB 3.45Å; L717-R720 WeakPolarHBondContact O-CD 3.1Å; L717-R720 WeakPolarHBondContact O-CG 3.13Å; L717-R720 PolarHBondContact O-N 3.1Å; L717-V721 HydrophobicContact CB-CG2 3.96Å; L717-V721 HydrophobicContact CD1-CG2 3.4Å; L717-V721 VanDerWaalsContact CD1-CG2 3.4Å; L717-V721 HydrophobicContact CG-CG2 4.3Å; L717-W762 HydrophobicContact CD1-CH2 4.47Å; L717-L764 HydrophobicContact CD2-CD1 3.59Å; L717-L764 HydrophobicContact CD2-CG 4.06Å; L717-V774 HydrophobicContact CD1-CG2 3.43Å; L717-V774 VanDerWaalsContact CD1-CG2 3.43Å
718	S	83.3	Confident	84.9	Confident	68 Å²	68	45 Å²	45	48%	0.476	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	52.8	168.1	-65	0	0	0	0	114.2	Q713 P714 R720	Q713-S718 PolarHBondContact O-N 2.01Å; P714-S718 WeakPolarHBondContact CA-OG 3.08Å; P714-S718 PolarHBondContact O-OG 3.1Å; S718-R720 VanDerWaalsContact C-N 3.32Å; S718-R720 PolarHBondContact O-N 3.21Å
719	G	84.1	Confident	84.5	Confident	55 Å²	55	44.7 Å²	44.7	57%	0.567	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	9.5	175.4	0	0	0	0	0	116.3	N712 L717	N712-G719 PolarHBondContact O-N 2.74Å; N712-G719 VanDerWaalsContact OD1-C 3.23Å; N712-G719 VanDerWaalsContact OD1-CA 3.26Å; N712-G719 WeakPolarHBondContact OD1-CA 3.39Å; N712-G719 PolarHBondContact OD1-N 3.19Å; L717-G719 PolarHBondContact O-N 2.93Å
720	R	86.2	Confident	83.7	Confident	147 Å²	147	45.5 Å²	45.5	56%	0.555	24%	0.24	S	C	*	.			trans	-79.5	-22.9	-177.1	-67.1	175.3	-172.3	-163.8	2.1	114.3	N712 L717 S718 W762	N712-R720 PolarHBondContact OD1-N 2.92Å; L717-R720 WeakPolarHBondContact O-CB 3.45Å; L717-R720 WeakPolarHBondContact O-CD 3.1Å; L717-R720 WeakPolarHBondContact O-CG 3.13Å; L717-R720 PolarHBondContact O-N 3.1Å; S718-R720 VanDerWaalsContact C-N 3.32Å; S718-R720 PolarHBondContact O-N 3.21Å; R720-W762 HydrophobicContact CB-CH2 4.26Å
721	V	88.9	Confident	82.7	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.042	23%	0.232	C	C	.	.			trans	-83.6	124.8	-174	-174.3	0	0	0	0	110.1	N712 L717 E725 V774	N712-V721 PolarHBondContact ND2-O 3.29Å; N712-V721 WeakPolarHBondContact OD1-CB 3.48Å; N712-V721 PolarHBondContact OD1-N 2.97Å; L717-V721 HydrophobicContact CB-CG2 3.96Å; L717-V721 HydrophobicContact CD1-CG2 3.4Å; L717-V721 VanDerWaalsContact CD1-CG2 3.4Å; L717-V721 HydrophobicContact CG-CG2 4.3Å; V721-E725 HydrophobicContact CG1-CB 3.79Å; V721-V774 HydrophobicContact CG2-CG2 4.32Å
722	R	89.6	Confident	81.3	Confident	152 Å²	152	44.7 Å²	44.7	57%	0.574	24%	0.239	S	C	*	.			trans	-92.6	168.8	-177.7	-57.2	176.2	-179.7	178.2	-1.7	111.7	N708 H724 E725	N708-R722 PolarHBondContact ND2-O 3.39Å; R722-H724 VanDerWaalsContact C-N 3.27Å; R722-H724 VanDerWaalsContact CD-CE1 3.42Å; R722-H724 WeakPolarHBondContact CD-CE1 3.17Å; R722-H724 PolarHBondContact O-N 2.88Å; R722-E725 HydrophobicContact CB-CG 4.37Å; R722-E725 WeakPolarHBondContact CB-OE2 3.44Å; R722-E725 PolarHBondContact N-OE2 3.15Å; R722-E725 WeakPolarHBondContact O-CB 3.49Å; R722-E725 PolarHBondContact O-N 2.74Å
723	D	89	Confident	79.7	Confident	84 Å²	84	43 Å²	43	45%	0.449	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.1	-177.2	-66.2	-19.9	0	0	0	114.1	E725 R777	D723-E725 PolarHBondContact O-N 3.39Å; D723-R777 PolarHBondContact O-NE 3.08Å
724	H	91	Very high	78.4	Confident	56 Å²	56	42.2 Å²	42.2	26%	0.259	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	10.2	172.4	61.9	-96.8	0	0	0	113.5	R722 R777 K780 F781	R722-H724 VanDerWaalsContact C-N 3.27Å; R722-H724 VanDerWaalsContact CD-CE1 3.42Å; R722-H724 WeakPolarHBondContact CD-CE1 3.17Å; R722-H724 PolarHBondContact O-N 2.88Å; H724-R777 WeakPolarHBondContact O-CB 3.34Å; H724-R777 PolarHBondContact O-N 2.6Å; H724-K780 HydrophobicContact CB-CB 4.25Å; H724-K780 HydrophobicContact CB-CG 4.46Å; H724-F781 HydrophobicContact CB-CE2 4.15Å; H724-F781 HydrophobicContact CB-CZ 3.77Å
725	E	92.8	Very high	77.5	Confident	20 Å²	20	37.5 Å²	37.5	9%	0.093	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	159.5	176.2	-59.9	173.2	132.6	0	0	109.7	N708 V721 R722 D723 W762 V774 Y775 R777	N708-E725 PolarHBondContact ND2-O 3.24Å; N708-E725 PolarHBondContact OD1-O 2.93Å; V721-E725 HydrophobicContact CG1-CB 3.79Å; R722-E725 HydrophobicContact CB-CG 4.37Å; R722-E725 WeakPolarHBondContact CB-OE2 3.44Å; R722-E725 PolarHBondContact N-OE2 3.15Å; R722-E725 WeakPolarHBondContact O-CB 3.49Å; R722-E725 PolarHBondContact O-N 2.74Å; D723-E725 PolarHBondContact O-N 3.39Å; E725-W762 PolarHBondContact OE1-NE1 3.45Å; E725-V774 HydrophobicContact CB-CG1 3.9Å; E725-V774 HydrophobicContact CG-CG1 4.31Å; E725-Y775 CarbonylContact C-O 3.51Å; E725-Y775 VanDerWaalsContact CA-O 3.28Å; E725-Y775 WeakPolarHBondContact CA-O 3.41Å; E725-R777 PolarHBondContact O-NE 3.33Å; E725-R777 VanDerWaalsContact O-NE 3.08Å; E725-R777 PolarHBondContact O-NH2 2.78Å; E725-R777 VanDerWaalsContact O-NH2 3.16Å
726	M	92.2	Very high	76.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.1	175	69.3	180	-71.5	0	0	111.1	V675 V705 L746 Q757 V774 Y775 R777	V675-M726 HydrophobicContact CB-CE 4.46Å; V675-M726 HydrophobicContact CG2-CE 4.17Å; V705-M726 HydrophobicContact CG1-CE 4.09Å; V705-M726 HydrophobicContact CG2-CE 3.83Å; M726-L746 HydrophobicContact CE-CD2 3.79Å; M726-L746 HydrophobicContact SD-CD2 4.13Å; M726-Q757 HydrophobicContact CE-CB 4.33Å; M726-Q757 HydrophobicContact SD-CB 4.2Å; M726-V774 WeakPolarHBondContact O-CA 3.44Å; M726-Y775 PolarHBondContact N-O 3.21Å; M726-Y775 PolarHBondContact O-N 3.17Å; M726-R777 HydrophobicContact CB-CB 4.34Å; M726-R777 VanDerWaalsContact CB-CZ 3.47Å; M726-R777 VanDerWaalsContact CB-NH2 3.27Å; M726-R777 HydrophobicContact CG-CB 4.47Å
727	C	89	Confident	75.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.4	176.3	-60.2	0	0	0	0	111.1	I706 C711 P772 G773	I706-C727 HydrophobicContact CB-CB 4.09Å; I706-C727 PolarHBondContact N-O 2.88Å; C711-C727 HydrophobicContact CB-CB 3.66Å; C711-C727 WeakPolarHBondContact CB-SG 3.18Å; C711-C727 WeakPolarHBondContact SG-CB 3.38Å; C711-C727 CovalentContact SG-SG 2.02Å; C711-C727 PolarHBondContact SG-SG 3.29Å; C727-P772 HydrophobicContact CB-CB 4.47Å; C727-P772 HydrophobicContact CB-CG 4.19Å; C727-G773 WeakPolarHBondContact CA-O 3.08Å
728	A	86.1	Confident	74.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.4	170.9	0	0	0	0	0	109.2	F703 P704 V705 L746 G773 Y775	F703-A728 HydrophobicContact CD2-CB 3.7Å; F703-A728 HydrophobicContact CE2-CB 3.5Å; P704-A728 WeakPolarHBondContact O-CA 3.33Å; V705-A728 HydrophobicContact CG2-CB 4.32Å; A728-L746 HydrophobicContact CB-CD1 4.34Å; A728-L746 HydrophobicContact CB-CD2 3.78Å; A728-G773 PolarHBondContact N-O 2.66Å; A728-G773 PolarHBondContact O-N 2.86Å; A728-Y775 HydrophobicContact CB-CD2 4.25Å; A728-Y775 HydrophobicContact CB-CE2 3.9Å
729	G	79.1	Confident	72.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.01	22%	0.215	C	C	.	.	S	Bend	trans	155.5	170.1	-176.8	0	0	0	0	0	112.4	F703 P704	F703-G729 VanDerWaalsContact CD2-N 3.27Å; P704-G729 PolarHBondContact O-N 2.76Å
730	N	70.1	Confident	71.4	Confident	28 Å²	28	40 Å²	40	15%	0.15	20%	0.199	C	C	.	.			trans	-91.3	131.1	173.6	-167.9	39.8	0	0	0	110.7	R331 D732 G733	R331-N730 PolarHBondContact NH2-ND2 3.11Å; R331-N730 PolarHBondContact NH2-OD1 2.75Å; N730-D732 VanDerWaalsContact C-N 3.27Å; N730-D732 PolarHBondContact ND2-OD2 3.1Å; N730-D732 PolarHBondContact O-N 3.44Å; N730-G733 PolarHBondContact O-N 3.18Å; N730-G733 VanDerWaalsContact O-N 3.13Å
731	I	63.8	Low	70.5	Confident	29 Å²	29	33.9 Å²	33.9	15%	0.149	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.2	-175.7	58.2	176.6	0	0	0	113.2	E330 I706 Y716 G733 M770	E330-I731 WeakPolarHBondContact OE2-CD1 3.3Å; I706-I731 HydrophobicContact CD1-CG2 3.82Å; Y716-I731 HydrophobicContact CE1-CB 4.2Å; Y716-I731 HydrophobicContact CE1-CG2 3.73Å; I731-G733 PolarHBondContact O-N 2.8Å; I731-M770 PolarHBondContact O-N 2.78Å
732	D	54.2	Low	70.2	Confident	29 Å²	29	34.8 Å²	34.8	16%	0.155	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.4	174	-52	-66.5	0	0	0	114	R331 Y346 N730 A769	R331-D732 IonicContact CZ-OD2 2.61Å; R331-D732 IonicContact NE-OD2 3.65Å; R331-D732 PolarHBondContact NE-OD2 2.93Å; R331-D732 VanDerWaalsContact NE-OD2 3.09Å; R331-D732 IonicContact NH1-OD2 3.96Å; R331-D732 PolarHBondContact NH1-OD2 2.86Å; R331-D732 IonicContact NH2-OD2 2.77Å; R331-D732 PolarHBondContact NH2-OD2 3.21Å; Y346-D732 PolarHBondContact OH-OD1 3.09Å; N730-D732 VanDerWaalsContact C-N 3.27Å; N730-D732 PolarHBondContact ND2-OD2 3.1Å; N730-D732 PolarHBondContact O-N 3.44Å; D732-A769 WeakPolarHBondContact O-CB 3.17Å
733	G	54.5	Low	70.1	Confident	8 Å²	8	27.6 Å²	27.6	8%	0.082	16%	0.157	C	C	.	.			trans	73.6	-166.9	-167.9	0	0	0	0	0	112.8	N730 I731 I735 A767	N730-G733 PolarHBondContact O-N 3.18Å; N730-G733 VanDerWaalsContact O-N 3.13Å; I731-G733 PolarHBondContact O-N 2.8Å; G733-I735 PolarHBondContact O-N 3.24Å; G733-A767 CarbonylContact C-O 3.6Å; G733-A767 WeakPolarHBondContact CA-O 3.02Å
734	G	53.7	Low	70.2	Confident	25 Å²	25	23.6 Å²	23.6	26%	0.258	14%	0.135	S	C	.	.	S	Bend	trans	89.5	-25.3	179.4	0	0	0	0	0	116	A767	G734-A767 PolarHBondContact N-O 3.22Å
735	I	54.2	Low	70.3	Confident	14 Å²	14	20.9 Å²	20.9	7%	0.072	12%	0.123	C	C	.	.			trans	-135.9	120.9	177.2	-56	178.7	0	0	0	108.9	G561 V563 A701 F703 G733	G561-I735 WeakPolarHBondContact O-CD1 3Å; V563-I735 WeakPolarHBondContact O-CD1 2.95Å; V563-I735 WeakPolarHBondContact O-CG1 3Å; A701-I735 HydrophobicContact CB-CG2 3.78Å; F703-I735 HydrophobicContact CD1-CG2 4.05Å; G733-I735 PolarHBondContact O-N 3.24Å
736	D	52.2	Low	70.4	Confident	21 Å²	21	20 Å²	20	11%	0.112	12%	0.118	C	C	.	.			trans	-159.1	158	177.8	-167.8	17.1	0	0	0	109.7	C766 A767 G773	D736-C766 WeakPolarHBondContact OD2-CA 3.43Å; D736-A767 HydrophobicContact CB-CB 3.87Å; D736-A767 PolarHBondContact OD2-N 2.74Å; D736-G773 WeakPolarHBondContact OD1-CA 3.46Å; D736-G773 PolarHBondContact OD1-N 2.78Å
737	S	53	Low	70.5	Confident	18 Å²	18	20 Å²	20	13%	0.126	12%	0.118	C	C	.	.			trans	-68.7	131.6	172.2	54.6	0	0	0	0	110	Y775	S737-Y775 PolarHBondContact OG-OH 2.8Å
738	C	58.1	Low	70.6	Confident	13 Å²	13	20.1 Å²	20.1	9%	0.088	12%	0.119	C	C	.	.			trans	-117.5	179.9	-174.7	-83.9	0	0	0	0	114.1	E688 G740 D741 C766	E688-C738 WeakPolarHBondContact O-CB 2.99Å; C738-G740 PolarHBondContact O-N 3.49Å; C738-D741 PolarHBondContact N-OD2 2.73Å; C738-D741 WeakPolarHBondContact O-CB 3.29Å; C738-D741 PolarHBondContact O-N 3.13Å; C738-C766 WeakPolarHBondContact CA-SG 3.32Å; C738-C766 HydrophobicContact CB-CB 4.39Å; C738-C766 WeakPolarHBondContact CB-SG 3.46Å; C738-C766 WeakPolarHBondContact SG-CB 3.47Å; C738-C766 CovalentContact SG-SG 2.04Å; C738-C766 PolarHBondContact SG-SG 3.18Å
739	Q	48.2	Very low	70.6	Confident	167 Å²	167	21.4 Å²	21.4	78%	0.78	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	130.3	174.6	-69.6	-164.2	-13.8	0	0	110.3	G687 E688	G687-Q739 CarbonylContact C-O 3.51Å; G687-Q739 WeakPolarHBondContact CA-O 3.47Å; E688-Q739 PolarHBondContact N-O 2.59Å
740	G	52.9	Low	70.4	Confident	22 Å²	22	24.2 Å²	24.2	23%	0.227	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-20.2	-174.5	0	0	0	0	0	114.3	C738	C738-G740 PolarHBondContact O-N 3.49Å
741	D	67.1	Low	70.2	Confident	18 Å²	18	30.1 Å²	30.1	10%	0.096	17%	0.165	C	C	.	.			trans	-91.8	-1.5	172.7	-56.4	-41.9	0	0	0	113	G685 W686 G687 C738 G743 G744 T760	G685-D741 VanDerWaalsContact C-OD1 3.27Å; G685-D741 WeakPolarHBondContact CA-OD1 3.21Å; W686-D741 PolarHBondContact N-OD1 3.35Å; G687-D741 WeakPolarHBondContact CA-OD1 3.49Å; G687-D741 PolarHBondContact N-OD1 3.45Å; C738-D741 PolarHBondContact N-OD2 2.73Å; C738-D741 WeakPolarHBondContact O-CB 3.29Å; C738-D741 PolarHBondContact O-N 3.13Å; D741-G743 PolarHBondContact O-N 3.39Å; D741-G744 WeakPolarHBondContact O-CA 3.16Å; D741-G744 PolarHBondContact O-N 3.3Å; D741-T760 VanDerWaalsContact O-CB 3.29Å; D741-T760 WeakPolarHBondContact O-CB 3.31Å; D741-T760 PolarHBondContact O-OG1 2.84Å
742	S	83.9	Confident	70.5	Confident	26 Å²	26	32.2 Å²	32.2	18%	0.182	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	129.3	176.6	-80.5	0	0	0	0	112.1	C589 G590 H604 G744	C589-S742 WeakPolarHBondContact CB-O 2.94Å; G590-S742 PolarHBondContact N-O 3.12Å; H604-S742 WeakPolarHBondContact NE2-CB 3.22Å; H604-S742 PolarHBondContact NE2-OG 3.43Å; S742-G744 PolarHBondContact O-N 2.76Å
743	G	87.1	Confident	72	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-3.8	-175.5	0	0	0	0	0	115.3	G591 D741 T760	G591-G743 WeakPolarHBondContact CA-O 3.18Å; G591-G743 PolarHBondContact N-O 2.74Å; D741-G743 PolarHBondContact O-N 3.39Å; G743-T760 PolarHBondContact N-O 3.25Å
744	G	90.6	Very high	73.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.			trans	-66.6	166.6	176.2	0	0	0	0	0	114	D741 S742 T760	D741-G744 WeakPolarHBondContact O-CA 3.16Å; D741-G744 PolarHBondContact O-N 3.3Å; S742-G744 PolarHBondContact O-N 2.76Å; G744-T760 PolarHBondContact O-N 3.21Å; G744-T760 PolarHBondContact O-OG1 2.82Å
745	P	94.6	Very high	75.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.5	-178.5	28.5	-32.4	0	0	0	112.5	T592 V683 T684 V747 L756	T592-P745 HydrophobicContact CG2-CB 4.06Å; T592-P745 WeakPolarHBondContact OG1-CB 3.39Å; V683-P745 WeakPolarHBondContact CA-O 3.42Å; T684-P745 VanDerWaalsContact OG1-CG 3.24Å; T684-P745 WeakPolarHBondContact OG1-CG 3.47Å; P745-V747 HydrophobicContact CB-CG1 4.06Å; P745-L756 HydrophobicContact CB-CD1 3.79Å
746	L	93.4	Very high	77.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	108.2	153.3	-179.7	72.7	0	0	0	108.3	C681 Y682 V683 F703 M726 A728 Q757 G758 Y775	C681-L746 HydrophobicContact CB-CD1 3.87Å; C681-L746 HydrophobicContact CB-CG 4.17Å; Y682-L746 WeakPolarHBondContact O-CA 3.36Å; V683-L746 HydrophobicContact CB-CD1 4.49Å; F703-L746 HydrophobicContact CE2-CD1 3.63Å; F703-L746 HydrophobicContact CZ-CD1 4.02Å; M726-L746 HydrophobicContact CE-CD2 3.79Å; M726-L746 HydrophobicContact SD-CD2 4.13Å; A728-L746 HydrophobicContact CB-CD1 4.34Å; A728-L746 HydrophobicContact CB-CD2 3.78Å; L746-Q757 PolarHBondContact O-N 3.47Å; L746-G758 PolarHBondContact N-O 2.77Å; L746-G758 PolarHBondContact O-N 3.13Å; L746-G758 VanDerWaalsContact O-N 3.1Å; L746-Y775 HydrophobicContact CB-CD1 3.68Å; L746-Y775 HydrophobicContact CB-CE1 3.89Å; L746-Y775 HydrophobicContact CB-CG 4.32Å; L746-Y775 HydrophobicContact CD1-CE1 4.23Å; L746-Y775 HydrophobicContact CD2-CD1 3.95Å; L746-Y775 HydrophobicContact CD2-CD2 3.86Å; L746-Y775 HydrophobicContact CD2-CE1 4.24Å; L746-Y775 HydrophobicContact CD2-CE2 4.16Å; L746-Y775 HydrophobicContact CD2-CG 3.78Å; L746-Y775 HydrophobicContact CG-CD1 4.31Å; L746-Y775 HydrophobicContact CG-CE1 4.34Å
747	V	94.7	Very high	79.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.6	-175.6	-72	0	0	0	0	111.9	W574 W576 V666 C681 Y682 P745 Y754 V755 L756	W574-V747 HydrophobicContact CE3-CG2 3.96Å; W574-V747 HydrophobicContact CH2-CG2 4.03Å; W574-V747 HydrophobicContact CZ3-CG2 3.37Å; W576-V747 HydrophobicContact CZ2-CG1 4.47Å; W576-V747 HydrophobicContact CZ2-CG2 4.43Å; V666-V747 HydrophobicContact CG2-CG1 3.8Å; C681-V747 CarbonylContact C-O 3.49Å; C681-V747 VanDerWaalsContact CA-O 3.28Å; C681-V747 WeakPolarHBondContact CA-O 3.5Å; C681-V747 WeakPolarHBondContact CB-O 3.34Å; Y682-V747 PolarHBondContact N-O 2.02Å; Y682-V747 WeakPolarHBondContact O-CG2 3.48Å; Y682-V747 PolarHBondContact O-N 3.26Å; P745-V747 HydrophobicContact CB-CG1 4.06Å; V747-Y754 HydrophobicContact CB-CD1 4.31Å; V747-Y754 HydrophobicContact CG2-CD1 4.15Å; V747-V755 VanDerWaalsContact CA-O 3.28Å; V747-V755 WeakPolarHBondContact CA-O 3.31Å; V747-L756 HydrophobicContact CG1-CB 4.49Å; V747-L756 HydrophobicContact CG1-CD1 4.21Å
748	C	91.8	Very high	81.9	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.02	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.6	177.3	-48.6	0	0	0	0	109	T679 C681 Y754 V755 Q757	T679-C748 HydrophobicContact CG2-CB 4.3Å; C681-C748 HydrophobicContact CB-CB 4.07Å; C681-C748 WeakPolarHBondContact CB-SG 3.4Å; C681-C748 WeakPolarHBondContact SG-CB 3Å; C681-C748 CovalentContact SG-SG 2.02Å; C681-C748 PolarHBondContact SG-SG 3.28Å; C748-Y754 WeakPolarHBondContact O-CA 3.48Å; C748-V755 PolarHBondContact N-O 3.36Å; C748-V755 PolarHBondContact O-N 2.92Å; C748-Q757 HydrophobicContact CB-CG 3.9Å; C748-Q757 WeakPolarHBondContact SG-CG 3.01Å
749	H	84.6	Confident	83.6	Confident	28 Å²	28	30.1 Å²	30.1	13%	0.13	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.8	177.7	-173.9	-97.3	0	0	0	109.9	Q385 R558 K753 Y754	Q385-H749 PolarHBondContact OE1-ND1 3.21Å; R558-H749 PolarHBondContact NH2-NE2 3.04Å; H749-K753 WeakPolarHBondContact CA-O 3.29Å; H749-Y754 HydrophobicContact CB-CD1 4.22Å; H749-Y754 HydrophobicContact CB-CE1 3.92Å; H749-Y754 AromaticContact CD2-CE2 3.82Å; H749-Y754 AromaticContact CD2-CZ 3.82Å
750	E	75.1	Confident	85.6	Confident	59 Å²	59	22.4 Å²	22.4	28%	0.276	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127.2	-177.9	-177.3	169.7	-135.2	0	0	109	Y673 N752 K753 V755	Y673-E750 PolarHBondContact OH-OE1 3.34Å; E750-N752 VanDerWaalsContact C-N 3.34Å; E750-N752 PolarHBondContact O-N 3.38Å; E750-K753 PolarHBondContact N-O 3.02Å; E750-K753 WeakPolarHBondContact O-CG 3.48Å; E750-K753 PolarHBondContact O-N 3.08Å; E750-V755 HydrophobicContact CB-CG2 4.27Å
751	Q	66.6	Low	87	Confident	152 Å²	152	21.9 Å²	21.9	71%	0.71	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	49	175.9	-60.2	176.8	-12	0	0	114	K753	Q751-K753 PolarHBondContact O-N 2.93Å
752	N	70.8	Confident	87.2	Confident	73 Å²	73	25 Å²	25	39%	0.39	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	12.4	180	-65.9	-13.3	0	0	0	117	N444 E750	N444-N752 PolarHBondContact ND2-ND2 3.27Å; N444-N752 PolarHBondContact ND2-OD1 3.39Å; N444-N752 PolarHBondContact OD1-ND2 3.46Å; E750-N752 VanDerWaalsContact C-N 3.34Å; E750-N752 PolarHBondContact O-N 3.38Å
753	K	84.4	Confident	86.2	Confident	74 Å²	74	25.6 Å²	25.6	32%	0.322	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.7	174.5	56	-178.5	176.5	-174.8	0	110.9	T551 H749 E750 Q751 V755	T551-K753 HydrophobicContact CG2-CB 4.15Å; H749-K753 WeakPolarHBondContact CA-O 3.29Å; E750-K753 PolarHBondContact N-O 3.02Å; E750-K753 WeakPolarHBondContact O-CG 3.48Å; E750-K753 PolarHBondContact O-N 3.08Å; Q751-K753 PolarHBondContact O-N 2.93Å; K753-V755 HydrophobicContact CG-CG2 4.31Å
754	Y	91.9	Very high	84.5	Confident	5 Å²	5	28.5 Å²	28.5	2%	0.02	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.1	170	-72	-86.1	0	0	0	110.2	G550 P552 P556 R558 W574 W576 V666 C667 Y682 V747 C748 H749	G550-Y754 WeakPolarHBondContact CA-O 3.44Å; G550-Y754 WeakPolarHBondContact O-CD2 3.26Å; G550-Y754 PolarHBondContact O-N 3.09Å; P552-Y754 HydrophobicContact CG-CD2 4.19Å; P552-Y754 HydrophobicContact CG-CE2 4.16Å; P556-Y754 HydrophobicContact CG-CE2 4.11Å; R558-Y754 PolarHBondContact NE-OH 3.22Å; W574-Y754 HydrophobicContact CH2-CD1 4.04Å; W574-Y754 AromaticContact CH2-CE1 3.52Å; W574-Y754 HydrophobicContact CH2-CE1 3.52Å; W574-Y754 AromaticContact CH2-CZ 3.91Å; W574-Y754 AromaticContact CZ3-CD1 3.62Å; W574-Y754 HydrophobicContact CZ3-CD1 3.62Å; W574-Y754 HydrophobicContact CZ3-CD2 4.47Å; W574-Y754 AromaticContact CZ3-CE1 3.57Å; W574-Y754 HydrophobicContact CZ3-CE1 3.57Å; W574-Y754 HydrophobicContact CZ3-CE2 4.43Å; W574-Y754 HydrophobicContact CZ3-CG 4.08Å; W574-Y754 AromaticContact CZ3-CZ 3.99Å; W576-Y754 VanDerWaalsContact CH2-CB 3.44Å; W576-Y754 AromaticContact CH2-CD2 3.75Å; W576-Y754 HydrophobicContact CH2-CD2 3.75Å; W576-Y754 AromaticContact CH2-CG 3.78Å; W576-Y754 HydrophobicContact CH2-CG 3.78Å; W576-Y754 HydrophobicContact CZ2-CD2 4.23Å; W576-Y754 AromaticContact CZ2-CG 3.87Å; W576-Y754 HydrophobicContact CZ2-CG 3.87Å; V666-Y754 VanDerWaalsContact CG2-O 3.29Å; V666-Y754 WeakPolarHBondContact CG2-O 3.41Å; C667-Y754 PolarHBondContact N-O 2.73Å; Y682-Y754 HydrophobicContact CD2-CE1 4.19Å; Y682-Y754 HydrophobicContact CE2-CE1 4.48Å; V747-Y754 HydrophobicContact CB-CD1 4.31Å; V747-Y754 HydrophobicContact CG2-CD1 4.15Å; C748-Y754 WeakPolarHBondContact O-CA 3.48Å; H749-Y754 HydrophobicContact CB-CD1 4.22Å; H749-Y754 HydrophobicContact CB-CE1 3.92Å; H749-Y754 AromaticContact CD2-CE2 3.82Å; H749-Y754 AromaticContact CD2-CZ 3.82Å
755	V	95.7	Very high	82.7	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.5	-179.6	-175.7	0	0	0	0	109	C667 P669 V747 C748 E750 K753 Q757	C667-V755 HydrophobicContact CB-CG2 4.26Å; C667-V755 WeakPolarHBondContact O-CA 3.37Å; P669-V755 HydrophobicContact CB-CG1 3.72Å; P669-V755 HydrophobicContact CG-CG1 4.49Å; V747-V755 VanDerWaalsContact CA-O 3.28Å; V747-V755 WeakPolarHBondContact CA-O 3.31Å; C748-V755 PolarHBondContact N-O 3.36Å; C748-V755 PolarHBondContact O-N 2.92Å; E750-V755 HydrophobicContact CB-CG2 4.27Å; K753-V755 HydrophobicContact CG-CG2 4.31Å; V755-Q757 PolarHBondContact O-N 3.11Å
756	L	97	Very high	80.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	100.4	177.2	-179.7	64.4	0	0	0	110.5	T592 I594 V666 C667 P669 P745 V747 G758 V778	T592-L756 HydrophobicContact CG2-CD1 4.15Å; T592-L756 HydrophobicContact CG2-CD2 3.98Å; I594-L756 HydrophobicContact CG2-CD2 3.91Å; V666-L756 HydrophobicContact CG1-CB 3.65Å; V666-L756 HydrophobicContact CG1-CD2 4.17Å; V666-L756 HydrophobicContact CG1-CG 4.41Å; V666-L756 HydrophobicContact CG2-CB 4.2Å; C667-L756 PolarHBondContact O-N 3.11Å; P669-L756 VanDerWaalsContact CD-O 3.22Å; P669-L756 WeakPolarHBondContact CD-O 3.44Å; P669-L756 WeakPolarHBondContact CG-O 3.32Å; P745-L756 HydrophobicContact CB-CD1 3.79Å; V747-L756 HydrophobicContact CG1-CB 4.49Å; V747-L756 HydrophobicContact CG1-CD1 4.21Å; L756-G758 WeakPolarHBondContact CD1-O 3.33Å; L756-V778 HydrophobicContact CD2-CG1 4.47Å; L756-V778 HydrophobicContact CD2-CG2 4.15Å; L756-V778 HydrophobicContact CG-CG2 3.85Å; L756-V778 WeakPolarHBondContact O-CB 3.4Å
757	Q	96.3	Very high	78.9	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-31.2	-177.8	-64.2	-67	-4.3	0	0	112.3	V675 M726 L746 C748 V755 V778	V675-Q757 HydrophobicContact CG2-CB 3.74Å; V675-Q757 HydrophobicContact CG2-CG 3.53Å; M726-Q757 HydrophobicContact CE-CB 4.33Å; M726-Q757 HydrophobicContact SD-CB 4.2Å; L746-Q757 PolarHBondContact O-N 3.47Å; C748-Q757 HydrophobicContact CB-CG 3.9Å; C748-Q757 WeakPolarHBondContact SG-CG 3.01Å; V755-Q757 PolarHBondContact O-N 3.11Å; Q757-V778 PolarHBondContact O-N 3.48Å
758	G	94.7	Very high	77	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.8	-179.2	0	0	0	0	0	114.3	L746 L756 A776	L746-G758 PolarHBondContact N-O 2.77Å; L746-G758 PolarHBondContact O-N 3.13Å; L746-G758 VanDerWaalsContact O-N 3.1Å; L756-G758 WeakPolarHBondContact CD1-O 3.33Å; G758-A776 CarbonylContact C-O 3.6Å; G758-A776 VanDerWaalsContact CA-O 3.27Å; G758-A776 WeakPolarHBondContact CA-O 3.41Å
759	V	94.2	Very high	75.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	169.1	178.5	0	0	0	0	108.3	V600 A602 I648 S761 Y775 A776 V778	V600-V759 HydrophobicContact CG1-CG2 3.46Å; V600-V759 VanDerWaalsContact CG1-CG2 3.46Å; A602-V759 HydrophobicContact CB-CG1 4.37Å; I648-V759 HydrophobicContact CD1-CG2 4.12Å; I648-V759 HydrophobicContact CG1-CG2 4.36Å; V759-S761 PolarHBondContact O-N 3.05Å; V759-Y775 CarbonylContact O-C 3.44Å; V759-Y775 WeakPolarHBondContact O-CA 3.41Å; V759-Y775 WeakPolarHBondContact O-CB 3.49Å; V759-A776 HydrophobicContact CB-CB 4.29Å; V759-A776 PolarHBondContact N-O 3.33Å; V759-A776 PolarHBondContact O-N 3.29Å; V759-V778 HydrophobicContact CG2-CG2 3.79Å
760	T	89.6	Confident	74.2	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	119.7	-178.2	-52.8	0	0	0	0	110.7	D741 G743 G744 Y775	D741-T760 VanDerWaalsContact O-CB 3.29Å; D741-T760 WeakPolarHBondContact O-CB 3.31Å; D741-T760 PolarHBondContact O-OG1 2.84Å; G743-T760 PolarHBondContact N-O 3.25Å; G744-T760 PolarHBondContact O-N 3.21Å; G744-T760 PolarHBondContact O-OG1 2.82Å; T760-Y775 HydrophobicContact CG2-CE1 4.35Å
761	S	82.6	Confident	74	Confident	11 Å²	11	39.6 Å²	39.6	8%	0.077	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	-73.7	-170.2	176.5	0	0	0	0	112.4	H604 D647 V759 V774	H604-S761 PolarHBondContact CE1-O 2.94Å; H604-S761 VanDerWaalsContact CE1-O 3.23Å; D647-S761 VanDerWaalsContact CB-OG 3.31Å; D647-S761 WeakPolarHBondContact CB-OG 3.16Å; D647-S761 VanDerWaalsContact CG-OG 3.31Å; D647-S761 WeakPolarHBondContact OD2-CA 2.97Å; D647-S761 WeakPolarHBondContact OD2-CB 3.36Å; D647-S761 PolarHBondContact OD2-OG 3.21Å; V759-S761 PolarHBondContact O-N 3.05Å; S761-V774 PolarHBondContact N-O 3.33Å
762	W	72.2	Confident	74.4	Confident	83 Å²	83	32.6 Å²	32.6	31%	0.314	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	167.6	-175.7	66	-91.1	0	0	0	112.9	L717 R720 E725 L764 V774	L717-W762 HydrophobicContact CD1-CH2 4.47Å; R720-W762 HydrophobicContact CB-CH2 4.26Å; E725-W762 PolarHBondContact OE1-NE1 3.45Å; W762-L764 HydrophobicContact CZ3-CD2 4.3Å; W762-L764 HydrophobicContact CZ3-CG 4.19Å; W762-V774 HydrophobicContact CD2-CB 4.01Å; W762-V774 HydrophobicContact CD2-CG1 4.39Å; W762-V774 HydrophobicContact CD2-CG2 4.28Å; W762-V774 HydrophobicContact CE3-CB 4.49Å; W762-V774 HydrophobicContact CE3-CG2 4.32Å; W762-V774 HydrophobicContact CG-CB 4.39Å; W762-V774 HydrophobicContact CH2-CB 4.49Å; W762-V774 HydrophobicContact CH2-CG2 3.87Å; W762-V774 HydrophobicContact CZ2-CB 4.03Å; W762-V774 HydrophobicContact CZ2-CG1 3.81Å; W762-V774 HydrophobicContact CZ2-CG2 3.84Å; W762-V774 HydrophobicContact CZ3-CG2 4.12Å; W762-V774 PolarHBondContact N-O 3.45Å; W762-V774 WeakPolarHBondContact O-CB 3.41Å; W762-V774 PolarHBondContact O-N 3.14Å
763	G	61.7	Low	74.9	Confident	39 Å²	39	29.1 Å²	29.1	40%	0.402	17%	0.173	S	C	.	.			trans	-160.8	156.5	173.5	0	0	0	0	0	111.5	G765	G763-G765 PolarHBondContact O-N 2.83Å
764	L	51.6	Low	75.1	Confident	61 Å²	61	25.7 Å²	25.7	32%	0.319	16%	0.158	S	C	.	.	S	Bend	trans	-79.3	15.4	176.3	-67.5	-178.9	0	0	0	113.2	L717 W762 K771	L717-L764 HydrophobicContact CD2-CD1 3.59Å; L717-L764 HydrophobicContact CD2-CG 4.06Å; W762-L764 HydrophobicContact CZ3-CD2 4.3Å; W762-L764 HydrophobicContact CZ3-CG 4.19Å; L764-K771 HydrophobicContact CB-CD 3.81Å
765	G	52.3	Low	75	Confident	29 Å²	29	25.4 Å²	25.4	30%	0.299	16%	0.157	S	C	.	.	S	Bend	trans	131.3	138.4	177.3	0	0	0	0	0	111.9	G763 A767 N768	G763-G765 PolarHBondContact O-N 2.83Å; G765-A767 PolarHBondContact O-N 2.72Å; G765-N768 WeakPolarHBondContact CA-ND2 3.45Å; G765-N768 PolarHBondContact O-ND2 3.21Å
766	C	55.5	Low	75	Confident	28 Å²	28	25.5 Å²	25.5	19%	0.189	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	127.3	178.7	-82.1	0	0	0	0	114	D736 C738 N768	D736-C766 WeakPolarHBondContact OD2-CA 3.43Å; C738-C766 WeakPolarHBondContact CA-SG 3.32Å; C738-C766 HydrophobicContact CB-CB 4.39Å; C738-C766 WeakPolarHBondContact CB-SG 3.46Å; C738-C766 WeakPolarHBondContact SG-CB 3.47Å; C738-C766 CovalentContact SG-SG 2.04Å; C738-C766 PolarHBondContact SG-SG 3.18Å; C766-N768 PolarHBondContact O-N 3.35Å
767	A	53.6	Low	74.9	Confident	32 Å²	32	25.6 Å²	25.6	26%	0.264	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	20.5	161.2	0	0	0	0	0	113.7	G733 G734 D736 G765	G733-A767 CarbonylContact C-O 3.6Å; G733-A767 WeakPolarHBondContact CA-O 3.02Å; G734-A767 PolarHBondContact N-O 3.22Å; D736-A767 HydrophobicContact CB-CB 3.87Å; D736-A767 PolarHBondContact OD2-N 2.74Å; G765-A767 PolarHBondContact O-N 2.72Å
768	N	55.7	Low	74.9	Confident	73 Å²	73	25.5 Å²	25.5	39%	0.39	16%	0.158	S	C	.	.			trans	-73.8	136.7	175	-74	-45.4	0	0	0	110	G765 C766 M770 K771	G765-N768 WeakPolarHBondContact CA-ND2 3.45Å; G765-N768 PolarHBondContact O-ND2 3.21Å; C766-N768 PolarHBondContact O-N 3.35Å; N768-M770 PolarHBondContact O-N 3.2Å; N768-K771 HydrophobicContact CB-CB 4.03Å; N768-K771 HydrophobicContact CB-CD 4.04Å; N768-K771 HydrophobicContact CB-CG 4.4Å; N768-K771 PolarHBondContact O-N 3.06Å
769	A	57.9	Low	75	Confident	54 Å²	54	25.5 Å²	25.5	45%	0.446	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	140.4	168.3	0	0	0	0	0	110.1	D732 K771	D732-A769 WeakPolarHBondContact O-CB 3.17Å; A769-K771 PolarHBondContact O-N 3.4Å; A769-K771 VanDerWaalsContact O-N 3.12Å
770	M	58.8	Low	75	Confident	31 Å²	31	28.5 Å²	28.5	15%	0.153	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	9.4	178.3	-53.8	-68.2	-68.7	0	0	115.7	W344 Y716 I731 N768	W344-M770 HydrophobicContact CZ2-SD 4.44Å; Y716-M770 WeakPolarHBondContact CA-O 3.16Å; Y716-M770 HydrophobicContact CD1-CB 4.25Å; Y716-M770 HydrophobicContact CD1-CE 3.85Å; Y716-M770 VanDerWaalsContact CD1-O 3.3Å; Y716-M770 WeakPolarHBondContact CD1-O 2.99Å; Y716-M770 HydrophobicContact CD1-SD 4.35Å; Y716-M770 HydrophobicContact CD2-CE 4.31Å; Y716-M770 HydrophobicContact CE1-CB 4.5Å; Y716-M770 HydrophobicContact CE1-CE 3.37Å; Y716-M770 HydrophobicContact CE1-SD 3.69Å; Y716-M770 HydrophobicContact CE2-CE 3.93Å; Y716-M770 HydrophobicContact CG-CE 4.29Å; Y716-M770 VanDerWaalsContact CZ-CE 3.43Å; I731-M770 PolarHBondContact O-N 2.78Å; N768-M770 PolarHBondContact O-N 3.2Å
771	K	70.6	Confident	75.3	Confident	76 Å²	76	28.7 Å²	28.7	33%	0.33	17%	0.171	S	C	.	.			trans	-125.8	82.5	178	-67.8	-178.6	169.3	-173.9	0	109.9	L764 N768 A769	L764-K771 HydrophobicContact CB-CD 3.81Å; N768-K771 HydrophobicContact CB-CB 4.03Å; N768-K771 HydrophobicContact CB-CD 4.04Å; N768-K771 HydrophobicContact CB-CG 4.4Å; N768-K771 PolarHBondContact O-N 3.06Å; A769-K771 PolarHBondContact O-N 3.4Å; A769-K771 VanDerWaalsContact O-N 3.12Å
772	P	75.6	Confident	75.9	Confident	4 Å²	4	28.8 Å²	28.8	3%	0.026	17%	0.171	C	C	.	.			trans	-67.3	155.5	177.9	30.6	-35.6	0	0	0	111.3	I706 C727	I706-P772 HydrophobicContact CD1-CB 3.74Å; I706-P772 HydrophobicContact CD1-CG 3.97Å; C727-P772 HydrophobicContact CB-CB 4.47Å; C727-P772 HydrophobicContact CB-CG 4.19Å
773	G	81.5	Confident	77	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	145.2	171.8	0	0	0	0	0	111.9	C727 A728 D736 Y775	C727-G773 WeakPolarHBondContact CA-O 3.08Å; A728-G773 PolarHBondContact N-O 2.66Å; A728-G773 PolarHBondContact O-N 2.86Å; D736-G773 WeakPolarHBondContact OD1-CA 3.46Å; D736-G773 PolarHBondContact OD1-N 2.78Å; G773-Y775 WeakPolarHBondContact O-CE2 3.4Å
774	V	87.6	Confident	78.6	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.4	177.8	-174.6	0	0	0	0	109.9	L717 V721 E725 M726 S761 W762	L717-V774 HydrophobicContact CD1-CG2 3.43Å; L717-V774 VanDerWaalsContact CD1-CG2 3.43Å; V721-V774 HydrophobicContact CG2-CG2 4.32Å; E725-V774 HydrophobicContact CB-CG1 3.9Å; E725-V774 HydrophobicContact CG-CG1 4.31Å; M726-V774 WeakPolarHBondContact O-CA 3.44Å; S761-V774 PolarHBondContact N-O 3.33Å; W762-V774 HydrophobicContact CD2-CB 4.01Å; W762-V774 HydrophobicContact CD2-CG1 4.39Å; W762-V774 HydrophobicContact CD2-CG2 4.28Å; W762-V774 HydrophobicContact CE3-CB 4.49Å; W762-V774 HydrophobicContact CE3-CG2 4.32Å; W762-V774 HydrophobicContact CG-CB 4.39Å; W762-V774 HydrophobicContact CH2-CB 4.49Å; W762-V774 HydrophobicContact CH2-CG2 3.87Å; W762-V774 HydrophobicContact CZ2-CB 4.03Å; W762-V774 HydrophobicContact CZ2-CG1 3.81Å; W762-V774 HydrophobicContact CZ2-CG2 3.84Å; W762-V774 HydrophobicContact CZ3-CG2 4.12Å; W762-V774 PolarHBondContact N-O 3.45Å; W762-V774 WeakPolarHBondContact O-CB 3.41Å; W762-V774 PolarHBondContact O-N 3.14Å
775	Y	91.4	Very high	80.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.6	-174.5	-57.2	-100.3	0	0	0	109.7	V683 F703 E725 M726 A728 S737 L746 V759 T760 G773 R777	V683-Y775 HydrophobicContact CG2-CE1 4.46Å; F703-Y775 HydrophobicContact CE2-CE2 4.47Å; F703-Y775 WeakPolarHBondContact CZ-OH 3.42Å; E725-Y775 CarbonylContact C-O 3.51Å; E725-Y775 VanDerWaalsContact CA-O 3.28Å; E725-Y775 WeakPolarHBondContact CA-O 3.41Å; M726-Y775 PolarHBondContact N-O 3.21Å; M726-Y775 PolarHBondContact O-N 3.17Å; A728-Y775 HydrophobicContact CB-CD2 4.25Å; A728-Y775 HydrophobicContact CB-CE2 3.9Å; S737-Y775 PolarHBondContact OG-OH 2.8Å; L746-Y775 HydrophobicContact CB-CD1 3.68Å; L746-Y775 HydrophobicContact CB-CE1 3.89Å; L746-Y775 HydrophobicContact CB-CG 4.32Å; L746-Y775 HydrophobicContact CD1-CE1 4.23Å; L746-Y775 HydrophobicContact CD2-CD1 3.95Å; L746-Y775 HydrophobicContact CD2-CD2 3.86Å; L746-Y775 HydrophobicContact CD2-CE1 4.24Å; L746-Y775 HydrophobicContact CD2-CE2 4.16Å; L746-Y775 HydrophobicContact CD2-CG 3.78Å; L746-Y775 HydrophobicContact CG-CD1 4.31Å; L746-Y775 HydrophobicContact CG-CE1 4.34Å; V759-Y775 CarbonylContact O-C 3.44Å; V759-Y775 WeakPolarHBondContact O-CA 3.41Å; V759-Y775 WeakPolarHBondContact O-CB 3.49Å; T760-Y775 HydrophobicContact CG2-CE1 4.35Å; G773-Y775 WeakPolarHBondContact O-CE2 3.4Å; Y775-R777 PolarHBondContact O-N 3.04Å
776	A	94.2	Very high	82.6	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.033	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	122.9	168.3	0	0	0	0	0	108.7	I648 G758 V759 V778 F781	I648-A776 HydrophobicContact CB-CB 4.27Å; G758-A776 CarbonylContact C-O 3.6Å; G758-A776 VanDerWaalsContact CA-O 3.27Å; G758-A776 WeakPolarHBondContact CA-O 3.41Å; V759-A776 HydrophobicContact CB-CB 4.29Å; V759-A776 PolarHBondContact N-O 3.33Å; V759-A776 PolarHBondContact O-N 3.29Å; A776-V778 PolarHBondContact O-N 3.41Å; A776-F781 HydrophobicContact CB-CE2 4.42Å
777	R	95.4	Very high	84.4	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.011	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	103.9	-174.4	-177.7	-176	-65.7	-85	3.7	110.4	N708 D723 H724 E725 M726 Y775 S779 K780 F781	N708-R777 PolarHBondContact OD1-NH2 2.69Å; D723-R777 PolarHBondContact O-NE 3.08Å; H724-R777 WeakPolarHBondContact O-CB 3.34Å; H724-R777 PolarHBondContact O-N 2.6Å; E725-R777 PolarHBondContact O-NE 3.33Å; E725-R777 VanDerWaalsContact O-NE 3.08Å; E725-R777 PolarHBondContact O-NH2 2.78Å; E725-R777 VanDerWaalsContact O-NH2 3.16Å; M726-R777 HydrophobicContact CB-CB 4.34Å; M726-R777 VanDerWaalsContact CB-CZ 3.47Å; M726-R777 VanDerWaalsContact CB-NH2 3.27Å; M726-R777 HydrophobicContact CG-CB 4.47Å; Y775-R777 PolarHBondContact O-N 3.04Å; R777-S779 VanDerWaalsContact C-N 3.28Å; R777-S779 WeakPolarHBondContact CG-OG 3.48Å; R777-S779 PolarHBondContact O-N 3.2Å; R777-K780 HydrophobicContact CB-CG 4.42Å; R777-K780 HydrophobicContact CG-CG 4.2Å; R777-K780 WeakPolarHBondContact O-CB 3.49Å; R777-K780 PolarHBondContact O-N 3.27Å; R777-K780 VanDerWaalsContact O-N 3.09Å; R777-F781 WeakPolarHBondContact O-CD2 3.47Å; R777-F781 WeakPolarHBondContact O-CE2 3.33Å
778	V	96.6	Very high	86.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60	-36	-170.5	176.6	0	0	0	0	112.6	L668 P669 L756 Q757 V759 A776 K780 F781 V782 I785	L668-V778 HydrophobicContact CD2-CG1 3.88Å; P669-V778 HydrophobicContact CG-CB 4.22Å; P669-V778 HydrophobicContact CG-CG1 4.03Å; L756-V778 HydrophobicContact CD2-CG1 4.47Å; L756-V778 HydrophobicContact CD2-CG2 4.15Å; L756-V778 HydrophobicContact CG-CG2 3.85Å; L756-V778 WeakPolarHBondContact O-CB 3.4Å; Q757-V778 PolarHBondContact O-N 3.48Å; V759-V778 HydrophobicContact CG2-CG2 3.79Å; A776-V778 PolarHBondContact O-N 3.41Å; V778-K780 PolarHBondContact O-N 3.2Å; V778-K780 VanDerWaalsContact O-N 3.08Å; V778-F781 WeakPolarHBondContact O-CA 3.24Å; V778-F781 PolarHBondContact O-N 3.44Å; V778-V782 PolarHBondContact O-N 2.89Å; V778-I785 HydrophobicContact CG1-CD1 4.2Å
779	S	95.8	Very high	88	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26	178.9	64.6	0	0	0	0	114	E670 D672 Y673 R777 F781	E670-S779 WeakPolarHBondContact O-CB 3.18Å; D672-S779 PolarHBondContact N-O 3.16Å; Y673-S779 VanDerWaalsContact O-CB 3.3Å; Y673-S779 WeakPolarHBondContact O-CB 3.47Å; Y673-S779 PolarHBondContact O-OG 3.46Å; R777-S779 VanDerWaalsContact C-N 3.28Å; R777-S779 WeakPolarHBondContact CG-OG 3.48Å; R777-S779 PolarHBondContact O-N 3.2Å; S779-F781 VanDerWaalsContact C-N 3.28Å; S779-F781 PolarHBondContact O-N 3.45Å
780	K	95.2	Very high	89.4	Confident	63 Å²	63	36.1 Å²	36.1	27%	0.274	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-79	-10	175.5	-65.8	-62.2	-171.8	177.2	0	114.1	N216 D672 H724 R777 V778	N216-K780 WeakPolarHBondContact ND2-CE 3.43Å; N216-K780 PolarHBondContact ND2-NZ 3.42Å; D672-K780 WeakPolarHBondContact OD1-CD 3.39Å; D672-K780 WeakPolarHBondContact OD1-CE 3.44Å; D672-K780 IonicContact OD1-NZ 3.04Å; D672-K780 PolarHBondContact OD1-NZ 2.86Å; H724-K780 HydrophobicContact CB-CB 4.25Å; H724-K780 HydrophobicContact CB-CG 4.46Å; R777-K780 HydrophobicContact CB-CG 4.42Å; R777-K780 HydrophobicContact CG-CG 4.2Å; R777-K780 WeakPolarHBondContact O-CB 3.49Å; R777-K780 PolarHBondContact O-N 3.27Å; R777-K780 VanDerWaalsContact O-N 3.09Å; V778-K780 PolarHBondContact O-N 3.2Å; V778-K780 VanDerWaalsContact O-N 3.08Å
781	F	96.3	Very high	90.8	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.044	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-2.5	-176.4	-58.7	-73.2	0	0	0	113.4	P643 A646 I648 H724 A776 R777 V778 S779 D783 W784 I785	P643-F781 HydrophobicContact CG-CD1 3.99Å; P643-F781 HydrophobicContact CG-CE1 4.1Å; A646-F781 HydrophobicContact CB-CE1 3.49Å; A646-F781 VanDerWaalsContact CB-CE1 3.49Å; A646-F781 HydrophobicContact CB-CZ 3.4Å; I648-F781 HydrophobicContact CD1-CB 4.22Å; I648-F781 HydrophobicContact CD1-CD2 3.93Å; I648-F781 HydrophobicContact CD1-CG 4.18Å; I648-F781 HydrophobicContact CG2-CD1 3.95Å; I648-F781 HydrophobicContact CG2-CD2 4.14Å; I648-F781 HydrophobicContact CG2-CE1 4Å; I648-F781 HydrophobicContact CG2-CE2 4.2Å; I648-F781 HydrophobicContact CG2-CG 4.02Å; I648-F781 HydrophobicContact CG2-CZ 4.13Å; H724-F781 HydrophobicContact CB-CE2 4.15Å; H724-F781 HydrophobicContact CB-CZ 3.77Å; A776-F781 HydrophobicContact CB-CE2 4.42Å; R777-F781 WeakPolarHBondContact O-CD2 3.47Å; R777-F781 WeakPolarHBondContact O-CE2 3.33Å; V778-F781 WeakPolarHBondContact O-CA 3.24Å; V778-F781 PolarHBondContact O-N 3.44Å; S779-F781 VanDerWaalsContact C-N 3.28Å; S779-F781 PolarHBondContact O-N 3.45Å; F781-D783 VanDerWaalsContact C-N 3.35Å; F781-D783 PolarHBondContact O-N 3.21Å; F781-W784 HydrophobicContact CB-CE3 4.09Å; F781-W784 CarbonylContact O-C 3.52Å; F781-W784 WeakPolarHBondContact O-CA 3.5Å; F781-W784 WeakPolarHBondContact O-CB 3.05Å; F781-W784 PolarHBondContact O-N 3.42Å; F781-I785 HydrophobicContact CB-CD1 4.43Å; F781-I785 WeakPolarHBondContact O-CG1 3.45Å; F781-I785 PolarHBondContact O-N 3.19Å
782	V	95.4	Very high	91.2	Very high	13 Å²	13	38.5 Å²	38.5	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-52.6	-47.7	-178.7	174.8	0	0	0	0	112.1	P669 V778 W784 I785 D786	P669-V782 HydrophobicContact CG-CG2 4.23Å; P669-V782 WeakPolarHBondContact O-CG2 3.28Å; V778-V782 PolarHBondContact O-N 2.89Å; V782-W784 VanDerWaalsContact C-N 3.27Å; V782-W784 PolarHBondContact O-N 2.73Å; V782-I785 PolarHBondContact O-N 3.14Å; V782-I785 VanDerWaalsContact O-N 3.13Å; V782-D786 WeakPolarHBondContact O-CB 3.48Å; V782-D786 PolarHBondContact O-N 2.85Å
783	D	93.5	Very high	92	Very high	70 Å²	70	40.3 Å²	40.3	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-60.5	-34.9	176.6	-81.9	-3	0	0	0	113.6	K671 F781 R787	K671-D783 WeakPolarHBondContact CD-OD1 3.25Å; K671-D783 WeakPolarHBondContact CE-OD2 3.46Å; K671-D783 IonicContact NZ-OD1 2.79Å; K671-D783 IonicContact NZ-OD2 3.09Å; K671-D783 PolarHBondContact NZ-OD2 2.92Å; F781-D783 VanDerWaalsContact C-N 3.35Å; F781-D783 PolarHBondContact O-N 3.21Å; D783-R787 VanDerWaalsContact O-CB 3.31Å; D783-R787 WeakPolarHBondContact O-CB 3.28Å; D783-R787 WeakPolarHBondContact O-CG 3.41Å; D783-R787 PolarHBondContact O-N 3.41Å; D783-R787 PolarHBondContact O-NE 3.42Å
784	W	95.9	Very high	92.5	Very high	28 Å²	28	42.3 Å²	42.3	11%	0.106	21%	0.212	C	C	.	.	H	α-helix	trans	-74.1	-40.8	176.5	164.5	78	0	0	0	110.7	V640 L641 P643 I648 L650 F781 V782 T788	V640-W784 HydrophobicContact CG1-CZ2 3.99Å; L641-W784 WeakPolarHBondContact O-CZ2 3.43Å; P643-W784 HydrophobicContact CG-CB 4.41Å; P643-W784 HydrophobicContact CG-CG 4.13Å; I648-W784 HydrophobicContact CG1-CZ3 4.46Å; I648-W784 HydrophobicContact CG2-CZ3 4.28Å; L650-W784 HydrophobicContact CB-CH2 4.05Å; L650-W784 HydrophobicContact CD1-CE3 4.36Å; L650-W784 HydrophobicContact CD1-CH2 3.74Å; L650-W784 HydrophobicContact CD1-CZ2 4.11Å; L650-W784 HydrophobicContact CD1-CZ3 3.86Å; L650-W784 HydrophobicContact CG-CH2 3.56Å; L650-W784 HydrophobicContact CG-CZ2 4.3Å; L650-W784 HydrophobicContact CG-CZ3 3.81Å; F781-W784 HydrophobicContact CB-CE3 4.09Å; F781-W784 CarbonylContact O-C 3.52Å; F781-W784 WeakPolarHBondContact O-CA 3.5Å; F781-W784 WeakPolarHBondContact O-CB 3.05Å; F781-W784 PolarHBondContact O-N 3.42Å; V782-W784 VanDerWaalsContact C-N 3.27Å; V782-W784 PolarHBondContact O-N 2.73Å; W784-T788 PolarHBondContact NE1-OG1 3.42Å; W784-T788 VanDerWaalsContact O-CB 3.25Å; W784-T788 WeakPolarHBondContact O-CB 3.23Å; W784-T788 PolarHBondContact O-N 2.89Å; W784-T788 PolarHBondContact O-OG1 3.33Å
785	I	96	Very high	92.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-55.4	175.4	-66.4	169.1	0	0	0	109.3	I594 V600 L650 L668 V778 F781 V782 R787 T788 V789	I594-I785 HydrophobicContact CD1-CG2 3.55Å; V600-I785 HydrophobicContact CG2-CD1 4.32Å; L650-I785 HydrophobicContact CD1-CB 4.42Å; L650-I785 HydrophobicContact CD1-CG1 4.26Å; L650-I785 HydrophobicContact CD1-CG2 4.38Å; L650-I785 HydrophobicContact CD2-CG2 4.48Å; L668-I785 HydrophobicContact CD1-CG2 3.97Å; L668-I785 HydrophobicContact CD2-CD1 4.28Å; V778-I785 HydrophobicContact CG1-CD1 4.2Å; F781-I785 HydrophobicContact CB-CD1 4.43Å; F781-I785 WeakPolarHBondContact O-CG1 3.45Å; F781-I785 PolarHBondContact O-N 3.19Å; V782-I785 PolarHBondContact O-N 3.14Å; V782-I785 VanDerWaalsContact O-N 3.13Å; I785-R787 PolarHBondContact O-N 3.4Å; I785-T788 PolarHBondContact O-N 3.4Å; I785-T788 VanDerWaalsContact O-N 3.1Å; I785-V789 HydrophobicContact CG2-CG2 4.12Å; I785-V789 WeakPolarHBondContact O-CB 3.46Å; I785-V789 VanDerWaalsContact O-CG2 3.26Å; I785-V789 WeakPolarHBondContact O-CG2 3.38Å; I785-V789 PolarHBondContact O-N 3.27Å
786	D	92.7	Very high	92.9	Very high	63 Å²	63	47.2 Å²	47.2	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-43.9	-177.5	-78	-5.1	0	0	0	112.6	V782 T788 K790	V782-D786 WeakPolarHBondContact O-CB 3.48Å; V782-D786 PolarHBondContact O-N 2.85Å; D786-T788 VanDerWaalsContact C-N 3.34Å; D786-K790 VanDerWaalsContact O-CB 3.31Å; D786-K790 WeakPolarHBondContact O-CB 3.12Å; D786-K790 VanDerWaalsContact O-CG 3.25Å; D786-K790 WeakPolarHBondContact O-CG 3.39Å; D786-K790 PolarHBondContact O-N 2.93Å
787	R	93.3	Very high	92.8	Very high	172 Å²	172	49.9 Å²	49.9	65%	0.649	25%	0.249	S	C	*	.	H	α-helix	trans	-63.7	-40.9	176	-76.8	-176.1	-64.8	156.5	-2.5	111.7	D783 I785 A791	D783-R787 VanDerWaalsContact O-CB 3.31Å; D783-R787 WeakPolarHBondContact O-CB 3.28Å; D783-R787 WeakPolarHBondContact O-CG 3.41Å; D783-R787 PolarHBondContact O-N 3.41Å; D783-R787 PolarHBondContact O-NE 3.42Å; I785-R787 PolarHBondContact O-N 3.4Å; R787-A791 WeakPolarHBondContact O-CB 3.22Å; R787-A791 PolarHBondContact O-N 3.49Å
788	T	93.9	Very high	92.6	Very high	14 Å²	14	53.1 Å²	53.1	9%	0.086	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-45.6	179.3	-58.6	0	0	0	0	111	W598 V640 L650 W784 I785 D786 K790 A791 N792	W598-T788 HydrophobicContact CH2-CG2 4.01Å; W598-T788 HydrophobicContact CZ3-CG2 4.03Å; V640-T788 HydrophobicContact CB-CG2 4.24Å; V640-T788 HydrophobicContact CG1-CG2 3.96Å; V640-T788 HydrophobicContact CG2-CG2 4.03Å; L650-T788 HydrophobicContact CD1-CG2 3.77Å; W784-T788 PolarHBondContact NE1-OG1 3.42Å; W784-T788 VanDerWaalsContact O-CB 3.25Å; W784-T788 WeakPolarHBondContact O-CB 3.23Å; W784-T788 PolarHBondContact O-N 2.89Å; W784-T788 PolarHBondContact O-OG1 3.33Å; I785-T788 PolarHBondContact O-N 3.4Å; I785-T788 VanDerWaalsContact O-N 3.1Å; D786-T788 VanDerWaalsContact C-N 3.34Å; T788-K790 VanDerWaalsContact C-N 3.35Å; T788-K790 PolarHBondContact O-N 2.89Å; T788-A791 PolarHBondContact O-N 3.23Å; T788-N792 PolarHBondContact O-N 2.74Å; T788-N792 PolarHBondContact O-ND2 3.35Å
789	V	90.1	Very high	92.3	Very high	33 Å²	33	56.9 Å²	56.9	20%	0.2	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-36.9	178.3	170.5	0	0	0	0	111.8	W598 I785	W598-V789 HydrophobicContact CB-CG2 4.38Å; W598-V789 HydrophobicContact CD2-CG2 3.84Å; W598-V789 HydrophobicContact CE3-CG2 4.43Å; W598-V789 HydrophobicContact CG-CG2 3.79Å; I785-V789 HydrophobicContact CG2-CG2 4.12Å; I785-V789 WeakPolarHBondContact O-CB 3.46Å; I785-V789 VanDerWaalsContact O-CG2 3.26Å; I785-V789 WeakPolarHBondContact O-CG2 3.38Å; I785-V789 PolarHBondContact O-N 3.27Å
790	K	87	Confident	92	Very high	172 Å²	172	61.2 Å²	61.2	75%	0.748	31%	0.306	S	S	*	.	H	α-helix	trans	-75.6	-32.8	177.4	-74.3	171.4	-177.8	169.6	0	113.3	D786 T788	D786-K790 VanDerWaalsContact O-CB 3.31Å; D786-K790 WeakPolarHBondContact O-CB 3.12Å; D786-K790 VanDerWaalsContact O-CG 3.25Å; D786-K790 WeakPolarHBondContact O-CG 3.39Å; D786-K790 PolarHBondContact O-N 2.93Å; T788-K790 VanDerWaalsContact C-N 3.35Å; T788-K790 PolarHBondContact O-N 2.89Å
791	A	88	Confident	91.8	Very high	81 Å²	81	61.1 Å²	61.1	67%	0.669	31%	0.309	S	S	*	.	H	α-helix	trans	-84.4	-9.2	-174.9	0	0	0	0	0	114.2	R787 T788	R787-A791 WeakPolarHBondContact O-CB 3.22Å; R787-A791 PolarHBondContact O-N 3.49Å; T788-A791 PolarHBondContact O-N 3.23Å
792	N	79.4	Confident	91.4	Very high	76 Å²	76	65.7 Å²	65.7	41%	0.406	33%	0.333	S	S	.	.			trans	-135.2	0	-174.3	-62.5	-95	0	0	0	110.3	W598 K638 K652 T788	W598-N792 HydrophobicContact CH2-CB 3.72Å; W598-N792 HydrophobicContact CZ2-CB 3.74Å; K638-N792 PolarHBondContact NZ-OD1 2.96Å; K652-N792 HydrophobicContact CD-CB 4.41Å; K652-N792 WeakPolarHBondContact CE-O 3.38Å; K652-N792 PolarHBondContact NZ-O 2.85Å; T788-N792 PolarHBondContact O-N 2.74Å; T788-N792 PolarHBondContact O-ND2 3.35Å

Retrieved 792 of 792 residues in 463.4 ms (Link to these results)

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