A0A5K4FBE5_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A5K4FBE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	31	Very low	233 Å²	233	157.4 Å²	157.4	100%	1.148	86%	0.86	S	S	*	*				0	138.5	0	-76.7	178.7	167	0	0	107.8
2	L	32.8	Very low	31.2	Very low	158 Å²	158	164.1 Å²	164.1	83%	0.827	86%	0.863	S	S	*	*			trans	45	131.8	153.4	-50.6	169.7	0	0	0	118.6
3	T	30.3	Very low	31.4	Very low	124 Å²	124	160.7 Å²	160.7	76%	0.761	84%	0.84	S	S	*	*			cis	-166.5	140.7	-2.9	9.7	0	0	0	0	106.3
4	Y	24	Very low	31.9	Very low	225 Å²	225	163.1 Å²	163.1	88%	0.882	85%	0.845	S	S	*	*			trans	-84.3	139.3	168	-92.6	-104	0	0	0	110
5	T	29.3	Very low	32.5	Very low	145 Å²	145	160.1 Å²	160.1	89%	0.89	84%	0.837	S	S	*	*			trans	-161.8	134.3	137.8	20.2	0	0	0	0	110.9
6	T	26.7	Very low	34	Very low	117 Å²	117	155.3 Å²	155.3	72%	0.718	82%	0.821	S	S	*	*			trans	-95.5	139	175.2	45.1	0	0	0	0	111
7	E	31.6	Very low	35.8	Very low	201 Å²	201	154.8 Å²	154.8	94%	0.939	82%	0.818	S	S	*	*			trans	-92.4	139.9	167.4	-66.3	-173.8	164	0	0	111
8	V	34.8	Very low	38.2	Very low	127 Å²	127	151.6 Å²	151.6	77%	0.77	80%	0.796	S	S	*	*			trans	-110.5	139.5	-163.4	175.4	0	0	0	0	111.1
9	P	32	Very low	40.5	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	76%	0.759	S	S	*	*			trans	-89.4	122.5	179.5	33	-33.1	0	0	0	114.2
10	G	30.6	Very low	42.6	Very low	76 Å²	76	137.7 Å²	137.7	78%	0.784	72%	0.721	S	S	*	*			trans	64.1	95.2	142.1	0	0	0	0	0	119.5
11	E	33.8	Very low	44.6	Very low	202 Å²	202	134 Å²	134	94%	0.944	70%	0.697	S	S	*	*			trans	-67.9	154.1	169.7	-62.3	-178.8	143.4	0	0	113.5
12	R	33.3	Very low	47.1	Very low	238 Å²	238	122.9 Å²	122.9	90%	0.898	64%	0.643	S	S	*	*			trans	-118.4	124.5	171.6	-71.8	178.9	172.8	173.7	-1.5	109.4	E14	R12-E14 PolarHBondContact O-N 3.17Å
13	E	34.7	Very low	49.5	Very low	120 Å²	120	118.3 Å²	118.3	56%	0.561	62%	0.619	S	S	*	*			trans	-62.4	125.4	175.6	-74.5	173.3	115	0	0	111.2	K137	E13-K137 WeakPolarHBondContact OE2-CE 3.47Å; E13-K137 IonicContact OE2-NZ 2.69Å; E13-K137 PolarHBondContact OE2-NZ 2.83Å; E13-K137 VanDerWaalsContact OE2-NZ 3.08Å
14	E	37.9	Very low	52	Low	195 Å²	195	113.2 Å²	113.2	91%	0.911	59%	0.588	S	S	*	*			trans	-90.3	109.4	178.5	-167.9	162	-139	0	0	110	R12 S16	R12-E14 PolarHBondContact O-N 3.17Å; E14-S16 PolarHBondContact O-N 3.01Å
15	T	40.6	Very low	54.6	Low	118 Å²	118	105 Å²	105	72%	0.724	56%	0.561	S	S	*	*			trans	-77.3	109.4	-174.1	53.5	0	0	0	0	111.6	L17	T15-L17 PolarHBondContact O-N 3.35Å
16	S	56.9	Low	56.5	Low	83 Å²	83	101.6 Å²	101.6	58%	0.58	54%	0.535	S	S	*	.			trans	-50.9	120	171.2	176.7	0	0	0	0	111	E14 K18 S34	E14-S16 PolarHBondContact O-N 3.01Å; S16-K18 PolarHBondContact O-N 3.15Å; S16-S34 WeakPolarHBondContact OG-CB 3.18Å
17	L	64.4	Low	58.3	Low	146 Å²	146	100.7 Å²	100.7	76%	0.764	53%	0.526	S	S	*	.			trans	-77.6	112.3	-174.2	-136.2	79.2	0	0	0	110	T15 W19	T15-L17 PolarHBondContact O-N 3.35Å; L17-W19 PolarHBondContact O-N 3.18Å
18	K	79.5	Confident	59.7	Low	97 Å²	97	97.5 Å²	97.5	42%	0.422	53%	0.526	S	S	.	.			trans	-58.9	129.5	171.1	-67.2	165.5	178.5	179.9	0	109.1	S16 E32 L33 V121	S16-K18 PolarHBondContact O-N 3.15Å; K18-E32 HydrophobicContact CD-CB 3.99Å; K18-E32 WeakPolarHBondContact CE-OE2 3.3Å; K18-E32 HydrophobicContact CG-CB 4.43Å; K18-E32 IonicContact NZ-OE2 3.15Å; K18-E32 PolarHBondContact NZ-OE2 3.44Å; K18-L33 CarbonylContact C-O 3.44Å; K18-L33 WeakPolarHBondContact CA-O 3.27Å; K18-V121 HydrophobicContact CB-CG2 4.4Å; K18-V121 WeakPolarHBondContact O-CB 3.44Å; K18-V121 WeakPolarHBondContact O-CG1 3.49Å; K18-V121 WeakPolarHBondContact O-CG2 3.22Å
19	W	81.8	Confident	61.6	Low	26 Å²	26	98.4 Å²	98.4	10%	0.098	52%	0.52	C	S	.	.			trans	-114.7	-22.8	-175.2	59.4	-101	0	0	0	113.6	L17 L33 Q35 I38 K64 I70 F120 V121	L17-W19 PolarHBondContact O-N 3.18Å; W19-L33 HydrophobicContact CD2-CB 4.44Å; W19-L33 HydrophobicContact CH2-CB 4.42Å; W19-L33 HydrophobicContact CH2-CD1 3.98Å; W19-L33 HydrophobicContact CZ2-CB 4.21Å; W19-L33 HydrophobicContact CZ2-CD1 4.48Å; W19-L33 HydrophobicContact CZ3-CD1 4.21Å; W19-L33 PolarHBondContact N-O 3.19Å; W19-Q35 WeakPolarHBondContact CZ2-O 3.37Å; W19-Q35 PolarHBondContact NE1-O 3.46Å; W19-I38 HydrophobicContact CH2-CD1 3.85Å; W19-I38 HydrophobicContact CZ2-CD1 3.32Å; W19-K64 HydrophobicContact CB-CD 4.35Å; W19-K64 HydrophobicContact CD2-CD 3.93Å; W19-K64 HydrophobicContact CE3-CD 4.45Å; W19-K64 HydrophobicContact CG-CD 3.88Å; W19-K64 HydrophobicContact CH2-CB 4.31Å; W19-K64 HydrophobicContact CZ2-CB 3.94Å; W19-I70 HydrophobicContact CE3-CD1 3.5Å; W19-I70 VanDerWaalsContact CE3-CD1 3.5Å; W19-I70 HydrophobicContact CE3-CG1 4Å; W19-I70 HydrophobicContact CH2-CD1 4.45Å; W19-I70 HydrophobicContact CH2-CG1 4.17Å; W19-I70 HydrophobicContact CH2-CG2 4.06Å; W19-I70 HydrophobicContact CZ3-CB 4.36Å; W19-I70 HydrophobicContact CZ3-CD1 3.4Å; W19-I70 VanDerWaalsContact CZ3-CD1 3.4Å; W19-I70 HydrophobicContact CZ3-CG1 3.56Å; W19-I70 HydrophobicContact CZ3-CG2 3.86Å; W19-F120 WeakPolarHBondContact O-CA 3.41Å; W19-V121 PolarHBondContact O-N 3.33Å
20	A	83.1	Confident	63.8	Low	0 Å²	0	96.4 Å²	96.4	0%	0	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	175.2	170.4	0	0	0	0	0	112.8	L33 V118 L119 F120	A20-L33 HydrophobicContact CB-CB 4.09Å; A20-L33 HydrophobicContact CB-CD1 3.83Å; A20-L33 HydrophobicContact CB-CG 4.26Å; A20-L33 PolarHBondContact N-O 2.89Å; A20-L33 PolarHBondContact O-N 2.87Å; A20-V118 HydrophobicContact CB-CG1 4.41Å; A20-L119 CarbonylContact C-O 3.16Å; A20-L119 WeakPolarHBondContact CA-O 3.5Å; A20-L119 WeakPolarHBondContact CB-O 3.41Å; A20-F120 HydrophobicContact CB-CD1 3.87Å
21	R	83.5	Confident	66.3	Low	60 Å²	60	95.9 Å²	95.9	23%	0.226	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.6	163	-52.1	-165.7	179.5	154.5	-21.5	109.4	M30 H31 E32 L119 F124	R21-M30 HydrophobicContact CB-CG 4.18Å; R21-M30 HydrophobicContact CB-SD 4.47Å; R21-M30 WeakPolarHBondContact CD-SD 3.23Å; R21-H31 CarbonylContact C-O 3.52Å; R21-H31 VanDerWaalsContact CA-O 3.26Å; R21-H31 WeakPolarHBondContact CA-O 3.37Å; R21-E32 HydrophobicContact CG-CG 4.03Å; R21-E32 IonicContact CZ-OE1 2.79Å; R21-E32 IonicContact NE-OE1 3.73Å; R21-E32 PolarHBondContact NE-OE1 3Å; R21-E32 IonicContact NH2-OE1 3.81Å; R21-E32 PolarHBondContact NH2-OE1 3.29Å; R21-L119 PolarHBondContact N-O 3.23Å; R21-L119 PolarHBondContact O-N 3.18Å; R21-F124 HydrophobicContact CB-CE2 3.76Å; R21-F124 HydrophobicContact CB-CZ 3.7Å; R21-F124 HydrophobicContact CG-CD2 4.3Å; R21-F124 HydrophobicContact CG-CE1 4.45Å; R21-F124 HydrophobicContact CG-CE2 3.47Å; R21-F124 VanDerWaalsContact CG-CE2 3.47Å; R21-F124 HydrophobicContact CG-CZ 3.59Å
22	L	87.1	Confident	68.6	Low	0 Å²	0	89.5 Å²	89.5	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.9	166.3	-62.7	174.3	0	0	0	108.4	M30 H31 L33 I40 I48 L62 F101 F116 C117 V118	L22-M30 CarbonylContact O-C 3.52Å; L22-M30 VanDerWaalsContact O-CA 3.28Å; L22-M30 WeakPolarHBondContact O-CA 3.5Å; L22-H31 HydrophobicContact CB-CB 4.37Å; L22-H31 PolarHBondContact N-O 2.9Å; L22-H31 PolarHBondContact O-N 3.47Å; L22-L33 HydrophobicContact CD1-CD1 4.04Å; L22-L33 HydrophobicContact CD1-CD2 3.99Å; L22-L33 HydrophobicContact CD1-CG 4.48Å; L22-L33 HydrophobicContact CD2-CD1 4.12Å; L22-L33 HydrophobicContact CG-CD1 3.66Å; L22-L33 HydrophobicContact CG-CD2 4.13Å; L22-L33 HydrophobicContact CG-CG 4.15Å; L22-I40 HydrophobicContact CD1-CD1 3.92Å; L22-I48 HydrophobicContact CD1-CD1 3.47Å; L22-I48 VanDerWaalsContact CD1-CD1 3.47Å; L22-L62 HydrophobicContact CD1-CD1 3.7Å; L22-L62 HydrophobicContact CD2-CD1 3.92Å; L22-L62 HydrophobicContact CG-CD1 4.29Å; L22-F101 HydrophobicContact CD2-CE1 3.94Å; L22-F101 HydrophobicContact CD2-CZ 4.23Å; L22-F116 HydrophobicContact CB-CB 4.15Å; L22-F116 HydrophobicContact CB-CD1 3.92Å; L22-F116 HydrophobicContact CB-CG 4.23Å; L22-F116 HydrophobicContact CD2-CB 4.12Å; L22-C117 WeakPolarHBondContact CA-O 3.42Å; L22-V118 HydrophobicContact CD2-CB 4.02Å; L22-V118 HydrophobicContact CD2-CG1 3.85Å; L22-V118 HydrophobicContact CD2-CG2 3.46Å; L22-V118 VanDerWaalsContact CD2-CG2 3.46Å
23	L	82.9	Confident	71	Confident	61 Å²	61	78.2 Å²	78.2	32%	0.319	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.8	169	-62.1	174.1	0	0	0	108.2	M30 F116 C117 L119	L23-M30 HydrophobicContact CD2-CB 3.95Å; L23-M30 HydrophobicContact CD2-CG 3.71Å; L23-M30 HydrophobicContact CD2-SD 3.94Å; L23-F116 CarbonylContact O-C 3.53Å; L23-F116 WeakPolarHBondContact O-CA 3.44Å; L23-C117 HydrophobicContact CB-CB 4.4Å; L23-C117 PolarHBondContact N-O 2.84Å; L23-C117 PolarHBondContact O-N 3.48Å; L23-L119 HydrophobicContact CD1-CD1 3.49Å; L23-L119 VanDerWaalsContact CD1-CD1 3.49Å; L23-L119 HydrophobicContact CD1-CG 4.36Å; L23-L119 HydrophobicContact CG-CD1 4.21Å
24	S	82.7	Confident	73.3	Confident	18 Å²	18	74.5 Å²	74.5	13%	0.126	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	140.8	166.9	177.5	0	0	0	0	109.1	H26 D27 F29	S24-H26 VanDerWaalsContact C-N 3.31Å; S24-H26 PolarHBondContact OG-N 3.44Å; S24-D27 WeakPolarHBondContact CB-O 3.41Å; S24-D27 PolarHBondContact OG-N 3.06Å; S24-D27 VanDerWaalsContact OG-N 3.13Å; S24-D27 PolarHBondContact OG-OD2 3.01Å; S24-F29 PolarHBondContact N-O 3.35Å
25	V	79.4	Confident	75.4	Confident	51 Å²	51	69.9 Å²	69.9	31%	0.309	37%	0.371	S	S	.	.	S	Bend	trans	-76	-23.3	179.1	175.8	0	0	0	0	111.7	Y100 Y102 G115	V25-Y100 HydrophobicContact CG2-CD1 3.84Å; V25-Y100 HydrophobicContact CG2-CE1 4.25Å; V25-Y102 HydrophobicContact CB-CE1 4.36Å; V25-Y102 HydrophobicContact CG1-CE1 4.1Å; V25-Y102 HydrophobicContact CG2-CE1 4.22Å; V25-G115 WeakPolarHBondContact CG2-O 3.26Å; V25-G115 PolarHBondContact N-O 3.41Å
26	H	69.9	Low	77.4	Confident	75 Å²	75	71.3 Å²	71.3	35%	0.347	37%	0.37	S	S	.	.	S	Bend	trans	-116.1	-28.7	-173.4	-56.9	86.2	0	0	0	112.9	S24 V110 R113	S24-H26 VanDerWaalsContact C-N 3.31Å; S24-H26 PolarHBondContact OG-N 3.44Å; H26-V110 PolarHBondContact NE2-O 3.36Å; H26-R113 VanDerWaalsContact CE1-CB 3.45Å; H26-R113 WeakPolarHBondContact CE1-CB 3.45Å; H26-R113 PolarHBondContact CE1-O 3.25Å; H26-R113 PolarHBondContact ND1-O 3.32Å
27	D	64.2	Low	78.8	Confident	97 Å²	97	70.3 Å²	70.3	52%	0.519	36%	0.36	S	S	.	.	S	Bend	trans	-104.5	159.5	176.6	-53	-62.9	0	0	0	111.9	S24 F29	S24-D27 WeakPolarHBondContact CB-O 3.41Å; S24-D27 PolarHBondContact OG-N 3.06Å; S24-D27 VanDerWaalsContact OG-N 3.13Å; S24-D27 PolarHBondContact OG-OD2 3.01Å; D27-F29 HydrophobicContact CB-CB 4.24Å; D27-F29 HydrophobicContact CB-CD2 3.67Å; D27-F29 HydrophobicContact CB-CG 4.39Å; D27-F29 PolarHBondContact O-N 3.01Å; D27-F29 VanDerWaalsContact O-N 3.1Å
28	S	61	Low	79.9	Confident	135 Å²	135	63.4 Å²	63.4	94%	0.944	32%	0.324	S	S	*	.	S	Bend	trans	-74.5	11.9	168.4	-53.9	0	0	0	0	113.8
29	F	74.6	Confident	80.5	Confident	146 Å²	146	60.7 Å²	60.7	64%	0.64	32%	0.315	S	S	*	.			trans	-76.2	137.7	179.5	-77.9	-66.8	0	0	0	112	S24 D27	S24-F29 PolarHBondContact N-O 3.35Å; D27-F29 HydrophobicContact CB-CB 4.24Å; D27-F29 HydrophobicContact CB-CD2 3.67Å; D27-F29 HydrophobicContact CB-CG 4.39Å; D27-F29 PolarHBondContact O-N 3.01Å; D27-F29 VanDerWaalsContact O-N 3.1Å
30	M	79	Confident	80.9	Confident	81 Å²	81	59.4 Å²	59.4	40%	0.399	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.3	-179.2	178.5	-178.4	76.9	0	0	109.3	R21 L22 L23 E32	R21-M30 HydrophobicContact CB-CG 4.18Å; R21-M30 HydrophobicContact CB-SD 4.47Å; R21-M30 WeakPolarHBondContact CD-SD 3.23Å; L22-M30 CarbonylContact O-C 3.52Å; L22-M30 VanDerWaalsContact O-CA 3.28Å; L22-M30 WeakPolarHBondContact O-CA 3.5Å; L23-M30 HydrophobicContact CD2-CB 3.95Å; L23-M30 HydrophobicContact CD2-CG 3.71Å; L23-M30 HydrophobicContact CD2-SD 3.94Å; M30-E32 HydrophobicContact CE-CG 4.09Å
31	H	81.3	Confident	81.2	Confident	64 Å²	64	59.4 Å²	59.4	30%	0.296	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.4	174.6	-59.7	-87.9	0	0	0	109.3	R21 L22 L33 I48 F116	R21-H31 CarbonylContact C-O 3.52Å; R21-H31 VanDerWaalsContact CA-O 3.26Å; R21-H31 WeakPolarHBondContact CA-O 3.37Å; L22-H31 HydrophobicContact CB-CB 4.37Å; L22-H31 PolarHBondContact N-O 2.9Å; L22-H31 PolarHBondContact O-N 3.47Å; H31-L33 HydrophobicContact CB-CD2 4.4Å; H31-I48 HydrophobicContact CB-CD1 3.71Å; H31-I48 HydrophobicContact CB-CG1 4.34Å; H31-F116 AromaticContact CD2-CE1 3.96Å
32	E	82.6	Confident	81.4	Confident	68 Å²	68	58 Å²	58	32%	0.318	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125	173.1	-61	-165.3	106.9	0	0	110.4	K18 R21 M30	K18-E32 HydrophobicContact CD-CB 3.99Å; K18-E32 WeakPolarHBondContact CE-OE2 3.3Å; K18-E32 HydrophobicContact CG-CB 4.43Å; K18-E32 IonicContact NZ-OE2 3.15Å; K18-E32 PolarHBondContact NZ-OE2 3.44Å; R21-E32 HydrophobicContact CG-CG 4.03Å; R21-E32 IonicContact CZ-OE1 2.79Å; R21-E32 IonicContact NE-OE1 3.73Å; R21-E32 PolarHBondContact NE-OE1 3Å; R21-E32 IonicContact NH2-OE1 3.81Å; R21-E32 PolarHBondContact NH2-OE1 3.29Å; M30-E32 HydrophobicContact CE-CG 4.09Å
33	L	84.4	Confident	81.4	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.9	-172.7	-53.9	-174.1	0	0	0	110.3	K18 W19 A20 L22 H31 I38 L62	K18-L33 CarbonylContact C-O 3.44Å; K18-L33 WeakPolarHBondContact CA-O 3.27Å; W19-L33 HydrophobicContact CD2-CB 4.44Å; W19-L33 HydrophobicContact CH2-CB 4.42Å; W19-L33 HydrophobicContact CH2-CD1 3.98Å; W19-L33 HydrophobicContact CZ2-CB 4.21Å; W19-L33 HydrophobicContact CZ2-CD1 4.48Å; W19-L33 HydrophobicContact CZ3-CD1 4.21Å; W19-L33 PolarHBondContact N-O 3.19Å; A20-L33 HydrophobicContact CB-CB 4.09Å; A20-L33 HydrophobicContact CB-CD1 3.83Å; A20-L33 HydrophobicContact CB-CG 4.26Å; A20-L33 PolarHBondContact N-O 2.89Å; A20-L33 PolarHBondContact O-N 2.87Å; L22-L33 HydrophobicContact CD1-CD1 4.04Å; L22-L33 HydrophobicContact CD1-CD2 3.99Å; L22-L33 HydrophobicContact CD1-CG 4.48Å; L22-L33 HydrophobicContact CD2-CD1 4.12Å; L22-L33 HydrophobicContact CG-CD1 3.66Å; L22-L33 HydrophobicContact CG-CD2 4.13Å; L22-L33 HydrophobicContact CG-CG 4.15Å; H31-L33 HydrophobicContact CB-CD2 4.4Å; L33-I38 HydrophobicContact CB-CD1 3.82Å; L33-I38 HydrophobicContact CD1-CD1 3.89Å; L33-I38 HydrophobicContact CD2-CD1 3.91Å; L33-I38 HydrophobicContact CD2-CG1 4.04Å; L33-I38 HydrophobicContact CD2-CG2 4.24Å; L33-I38 HydrophobicContact CG-CD1 4.06Å; L33-L62 HydrophobicContact CD1-CD1 4.19Å
34	S	81.7	Confident	81.4	Confident	42 Å²	42	63.6 Å²	63.6	29%	0.294	34%	0.338	S	S	.	.			trans	-126.2	-17.7	176.2	66.8	0	0	0	0	114.1	S16	S16-S34 WeakPolarHBondContact OG-CB 3.18Å
35	Q	82.5	Confident	81.5	Confident	98 Å²	98	71.3 Å²	71.3	46%	0.458	37%	0.371	S	S	.	.	S	Bend	trans	-80.2	146.9	176	-60.1	-179.7	10.7	0	0	110.1	W19 V37 I38	W19-Q35 WeakPolarHBondContact CZ2-O 3.37Å; W19-Q35 PolarHBondContact NE1-O 3.46Å; Q35-V37 VanDerWaalsContact C-N 3.26Å; Q35-V37 WeakPolarHBondContact CB-O 3.43Å; Q35-V37 PolarHBondContact O-N 3.11Å; Q35-V37 PolarHBondContact OE1-O 2.88Å; Q35-I38 HydrophobicContact CB-CG1 4.41Å; Q35-I38 WeakPolarHBondContact O-CD1 3.42Å
36	E	82.3	Confident	81.7	Confident	148 Å²	148	69.4 Å²	69.4	69%	0.692	36%	0.361	S	S	*	.	S	Bend	trans	-67.3	-29.5	177.5	-65.7	177.6	165.6	0	0	112.2	M63 K64	E36-M63 CarbonylContact O-C 3.58Å; E36-M63 WeakPolarHBondContact O-CA 3.46Å; E36-K64 PolarHBondContact O-N 3.22Å
37	V	86.9	Confident	82.4	Confident	62 Å²	62	69.5 Å²	69.5	38%	0.376	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.9	176.4	-179.8	0	0	0	0	108.8	Q35 L61 L62 M63	Q35-V37 VanDerWaalsContact C-N 3.26Å; Q35-V37 WeakPolarHBondContact CB-O 3.43Å; Q35-V37 PolarHBondContact O-N 3.11Å; Q35-V37 PolarHBondContact OE1-O 2.88Å; V37-L61 HydrophobicContact CG1-CD1 3.64Å; V37-L61 HydrophobicContact CG1-CD2 4.04Å; V37-L61 HydrophobicContact CG1-CG 3.76Å; V37-L62 CarbonylContact C-O 3.57Å; V37-L62 WeakPolarHBondContact CA-O 3.34Å; V37-M63 HydrophobicContact CG2-CG 4.08Å; V37-M63 HydrophobicContact CG2-SD 4.48Å
38	I	88.4	Confident	83.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.1	177.2	-67	117.9	0	0	0	108.9	W19 L33 Q35 I40 L47 I48 L61 L62	W19-I38 HydrophobicContact CH2-CD1 3.85Å; W19-I38 HydrophobicContact CZ2-CD1 3.32Å; L33-I38 HydrophobicContact CB-CD1 3.82Å; L33-I38 HydrophobicContact CD1-CD1 3.89Å; L33-I38 HydrophobicContact CD2-CD1 3.91Å; L33-I38 HydrophobicContact CD2-CG1 4.04Å; L33-I38 HydrophobicContact CD2-CG2 4.24Å; L33-I38 HydrophobicContact CG-CD1 4.06Å; Q35-I38 HydrophobicContact CB-CG1 4.41Å; Q35-I38 WeakPolarHBondContact O-CD1 3.42Å; I38-I40 HydrophobicContact CG2-CG1 4.25Å; I38-L47 HydrophobicContact CB-CD2 4.13Å; I38-L47 HydrophobicContact CG1-CD2 3.62Å; I38-L47 HydrophobicContact CG2-CB 4.28Å; I38-L47 HydrophobicContact CG2-CD2 3.87Å; I38-I48 HydrophobicContact CG2-CD1 4.2Å; I38-L61 CarbonylContact O-C 3.58Å; I38-L61 WeakPolarHBondContact O-CA 3.37Å; I38-L62 HydrophobicContact CB-CB 4.22Å; I38-L62 PolarHBondContact N-O 2.91Å; I38-L62 PolarHBondContact O-N 3.46Å
39	T	90.6	Very high	84.6	Confident	40 Å²	40	61.6 Å²	61.6	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.3	175.5	44.5	0	0	0	0	111.1	C46 L47 I48 L61	T39-C46 WeakPolarHBondContact OG1-CA 3.46Å; T39-L47 PolarHBondContact O-N 2.91Å; T39-L47 PolarHBondContact OG1-N 3.47Å; T39-I48 PolarHBondContact O-N 3.05Å; T39-I48 VanDerWaalsContact O-N 3.08Å; T39-L61 HydrophobicContact CG2-CD1 4.2Å
40	I	90.3	Very high	85.1	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.9	176.1	-44.7	-174.4	0	0	0	108.3	L22 I38 I48 I50 H59 C60 L62 F101 L103 F116	L22-I40 HydrophobicContact CD1-CD1 3.92Å; I38-I40 HydrophobicContact CG2-CG1 4.25Å; I40-I48 WeakPolarHBondContact CA-O 3.47Å; I40-I48 HydrophobicContact CB-CB 4.42Å; I40-I48 HydrophobicContact CD1-CD1 4.14Å; I40-I48 HydrophobicContact CG1-CB 4.13Å; I40-I48 HydrophobicContact CG1-CD1 4.28Å; I40-I48 HydrophobicContact CG2-CB 4.03Å; I40-I48 HydrophobicContact CG2-CG2 4Å; I40-I50 HydrophobicContact CG2-CD1 3.86Å; I40-H59 WeakPolarHBondContact O-CA 3.49Å; I40-H59 WeakPolarHBondContact O-CB 3.48Å; I40-H59 PolarHBondContact O-N 3.37Å; I40-C60 PolarHBondContact N-O 3.29Å; I40-C60 PolarHBondContact O-N 2.98Å; I40-L62 HydrophobicContact CD1-CD1 4.11Å; I40-F101 HydrophobicContact CD1-CE2 4.02Å; I40-F101 HydrophobicContact CD1-CZ 3.78Å; I40-L103 HydrophobicContact CG2-CD1 3.7Å; I40-F116 HydrophobicContact CD1-CD2 4.48Å; I40-F116 HydrophobicContact CD1-CE2 4.43Å; I40-F116 HydrophobicContact CG2-CE2 4.25Å
41	G	89.9	Confident	85.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-174.6	-175.6	0	0	0	0	0	112.3	I48 V49 I50 S56	G41-I48 PolarHBondContact N-O 3.26Å; G41-V49 CarbonylContact O-C 3.54Å; G41-V49 WeakPolarHBondContact O-CA 3.43Å; G41-I50 PolarHBondContact O-N 3.39Å; G41-S56 VanDerWaalsContact CA-O 3.28Å; G41-S56 WeakPolarHBondContact CA-O 3.3Å
42	S	88	Confident	85.4	Confident	31 Å²	31	60.2 Å²	60.2	22%	0.217	31%	0.305	C	S	.	.	S	Bend	trans	-89.7	-8.9	175.6	73.3	0	0	0	0	114.4	I50 V55 S56 N57	S42-I50 VanDerWaalsContact CA-O 3.25Å; S42-I50 WeakPolarHBondContact CA-O 3.32Å; S42-I50 WeakPolarHBondContact CB-O 3.42Å; S42-V55 WeakPolarHBondContact CB-O 3.42Å; S42-V55 PolarHBondContact OG-O 2.82Å; S42-S56 PolarHBondContact N-O 2.89Å; S42-N57 WeakPolarHBondContact CA-OD1 3.46Å; S42-N57 WeakPolarHBondContact CB-OD1 3.3Å; S42-N57 PolarHBondContact N-OD1 3.46Å; S42-N57 PolarHBondContact OG-ND2 3.32Å; S42-N57 PolarHBondContact OG-OD1 2.94Å
43	S	86.4	Confident	85.4	Confident	29 Å²	29	66.5 Å²	66.5	20%	0.203	33%	0.334	C	S	.	.	S	Bend	trans	-71.5	139.3	175.7	-179.5	0	0	0	0	111	E45 C46 N57	S43-E45 PolarHBondContact O-N 2.95Å; S43-E45 PolarHBondContact OG-N 3.35Å; S43-C46 WeakPolarHBondContact O-CB 3.22Å; S43-C46 PolarHBondContact O-N 3.36Å; S43-N57 PolarHBondContact N-OD1 2.67Å
44	E	83.6	Confident	85.3	Confident	149 Å²	149	72 Å²	72	70%	0.696	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.7	176.2	-54.2	-166.3	150.3	0	0	112.8	C46 K51	E44-C46 VanDerWaalsContact C-N 3.34Å; E44-K51 IonicContact OE1-NZ 2.79Å; E44-K51 PolarHBondContact OE1-NZ 3.11Å
45	E	83.7	Confident	85.4	Confident	179 Å²	179	70.2 Å²	70.2	84%	0.836	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.9	168.8	-59.1	178.1	160.9	0	0	113.4	S43	S43-E45 PolarHBondContact O-N 2.95Å; S43-E45 PolarHBondContact OG-N 3.35Å
46	C	83.7	Confident	85.7	Confident	12 Å²	12	66.3 Å²	66.3	8%	0.081	33%	0.331	C	S	.	.	S	Bend	trans	-79	142.6	177.7	-66.3	0	0	0	0	111.3	T39 S43 E44 I48 V49	T39-C46 WeakPolarHBondContact OG1-CA 3.46Å; S43-C46 WeakPolarHBondContact O-CB 3.22Å; S43-C46 PolarHBondContact O-N 3.36Å; E44-C46 VanDerWaalsContact C-N 3.34Å; C46-I48 PolarHBondContact O-N 2.93Å; C46-V49 VanDerWaalsContact O-CG2 3.28Å; C46-V49 WeakPolarHBondContact O-CG2 3.39Å
47	L	84.6	Confident	85.9	Confident	77 Å²	77	63.9 Å²	63.9	40%	0.403	32%	0.322	S	S	.	.	S	Bend	trans	-63.4	-31.6	176.1	-168.5	71.1	0	0	0	112	I38 T39	I38-L47 HydrophobicContact CB-CD2 4.13Å; I38-L47 HydrophobicContact CG1-CD2 3.62Å; I38-L47 HydrophobicContact CG2-CB 4.28Å; I38-L47 HydrophobicContact CG2-CD2 3.87Å; T39-L47 PolarHBondContact O-N 2.91Å; T39-L47 PolarHBondContact OG1-N 3.47Å
48	I	85.6	Confident	85.7	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	105.7	173.9	-58.3	176.5	0	0	0	107.9	L22 H31 I38 T39 I40 G41 C46 I50 F116	L22-I48 HydrophobicContact CD1-CD1 3.47Å; L22-I48 VanDerWaalsContact CD1-CD1 3.47Å; H31-I48 HydrophobicContact CB-CD1 3.71Å; H31-I48 HydrophobicContact CB-CG1 4.34Å; I38-I48 HydrophobicContact CG2-CD1 4.2Å; T39-I48 PolarHBondContact O-N 3.05Å; T39-I48 VanDerWaalsContact O-N 3.08Å; I40-I48 WeakPolarHBondContact CA-O 3.47Å; I40-I48 HydrophobicContact CB-CB 4.42Å; I40-I48 HydrophobicContact CD1-CD1 4.14Å; I40-I48 HydrophobicContact CG1-CB 4.13Å; I40-I48 HydrophobicContact CG1-CD1 4.28Å; I40-I48 HydrophobicContact CG2-CB 4.03Å; I40-I48 HydrophobicContact CG2-CG2 4Å; G41-I48 PolarHBondContact N-O 3.26Å; C46-I48 PolarHBondContact O-N 2.93Å; I48-I50 HydrophobicContact CG2-CG1 4.39Å; I48-F116 HydrophobicContact CG2-CZ 3.89Å
49	V	87.4	Confident	85.7	Confident	61 Å²	61	63.3 Å²	63.3	37%	0.37	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121	-176.8	-170.9	0	0	0	0	110	G41 C46 K51	G41-V49 CarbonylContact O-C 3.54Å; G41-V49 WeakPolarHBondContact O-CA 3.43Å; C46-V49 VanDerWaalsContact O-CG2 3.28Å; C46-V49 WeakPolarHBondContact O-CG2 3.39Å; V49-K51 HydrophobicContact CG1-CG 4.18Å
50	I	85.3	Confident	85.7	Confident	27 Å²	27	61.4 Å²	61.4	14%	0.138	31%	0.308	C	S	.	.			trans	-120.5	104.1	176.7	-60.2	172	0	0	0	108.1	I40 G41 S42 I48 H52 V55 L103 V114 F116	I40-I50 HydrophobicContact CG2-CD1 3.86Å; G41-I50 PolarHBondContact O-N 3.39Å; S42-I50 VanDerWaalsContact CA-O 3.25Å; S42-I50 WeakPolarHBondContact CA-O 3.32Å; S42-I50 WeakPolarHBondContact CB-O 3.42Å; I48-I50 HydrophobicContact CG2-CG1 4.39Å; I50-H52 PolarHBondContact O-N 2.59Å; I50-H52 VanDerWaalsContact O-N 3.08Å; I50-V55 HydrophobicContact CB-CG1 4.41Å; I50-V55 HydrophobicContact CG2-CG2 4.11Å; I50-L103 HydrophobicContact CD1-CD1 3.39Å; I50-V114 HydrophobicContact CD1-CG1 3.94Å; I50-V114 HydrophobicContact CG2-CG1 4.18Å; I50-F116 HydrophobicContact CD1-CE2 3.67Å; I50-F116 HydrophobicContact CD1-CZ 3.77Å
51	K	82.6	Confident	85.8	Confident	157 Å²	157	63.3 Å²	63.3	68%	0.683	32%	0.318	S	S	*	.			trans	-79.5	90.7	-178.4	-62.2	-166.5	174.4	-166.1	0	110.3	E44 V49	E44-K51 IonicContact OE1-NZ 2.79Å; E44-K51 PolarHBondContact OE1-NZ 3.11Å; V49-K51 HydrophobicContact CG1-CG 4.18Å
52	H	83.6	Confident	85.8	Confident	78 Å²	78	63.3 Å²	63.3	36%	0.361	32%	0.318	S	S	.	.			trans	-148.9	143.8	174.4	-169.5	-92.8	0	0	0	110.4	I50 E54 V55 L104	I50-H52 PolarHBondContact O-N 2.59Å; I50-H52 VanDerWaalsContact O-N 3.08Å; H52-E54 VanDerWaalsContact C-N 3.32Å; H52-E54 IonicContact CE1-OE2 3.12Å; H52-E54 PolarHBondContact ND1-N 3.48Å; H52-E54 PolarHBondContact O-N 3.39Å; H52-V55 HydrophobicContact CB-CB 4.43Å; H52-V55 HydrophobicContact CB-CG2 3.92Å; H52-V55 PolarHBondContact O-N 3.36Å; H52-L104 HydrophobicContact CB-CD1 3.94Å; H52-L104 VanDerWaalsContact CG-CD1 3.45Å; H52-L104 VanDerWaalsContact ND1-CD1 3.28Å; H52-L104 WeakPolarHBondContact ND1-CD1 3.46Å
53	E	81.6	Confident	85.8	Confident	199 Å²	199	64.5 Å²	64.5	93%	0.93	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-34.3	-170.8	-61.5	-174.7	169	0	0	113.5	V55	E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 2.99Å
54	E	82.7	Confident	85.8	Confident	118 Å²	118	65.7 Å²	65.7	55%	0.551	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9	177	-64.3	176.2	165.3	0	0	113.3	H52 L104	H52-E54 VanDerWaalsContact C-N 3.32Å; H52-E54 IonicContact CE1-OE2 3.12Å; H52-E54 PolarHBondContact ND1-N 3.48Å; H52-E54 PolarHBondContact O-N 3.39Å; E54-L104 HydrophobicContact CB-CD2 3.51Å
55	V	84.9	Confident	85.8	Confident	4 Å²	4	61 Å²	61	2%	0.024	30%	0.303	C	S	.	.			trans	-88.5	114.5	-179	177.9	0	0	0	0	111	S42 I50 H52 E53 H59 L104	S42-V55 WeakPolarHBondContact CB-O 3.42Å; S42-V55 PolarHBondContact OG-O 2.82Å; I50-V55 HydrophobicContact CB-CG1 4.41Å; I50-V55 HydrophobicContact CG2-CG2 4.11Å; H52-V55 HydrophobicContact CB-CB 4.43Å; H52-V55 HydrophobicContact CB-CG2 3.92Å; H52-V55 PolarHBondContact O-N 3.36Å; E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 2.99Å; V55-H59 HydrophobicContact CG1-CB 3.84Å; V55-L104 HydrophobicContact CG2-CD1 3.99Å; V55-L104 HydrophobicContact CG2-CD2 3.86Å; V55-L104 HydrophobicContact CG2-CG 3.92Å
56	S	87.5	Confident	85.6	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.112	30%	0.302	C	S	.	.			trans	-69.9	167.9	-178.8	-64.2	0	0	0	0	114.4	G41 S42 P58 H59 K77	G41-S56 VanDerWaalsContact CA-O 3.28Å; G41-S56 WeakPolarHBondContact CA-O 3.3Å; S42-S56 PolarHBondContact N-O 2.89Å; S56-P58 CarbonylContact C-O 3.5Å; S56-P58 WeakPolarHBondContact CB-O 3.24Å; S56-P58 CarbonylContact O-C 3.39Å; S56-H59 PolarHBondContact N-ND1 3.24Å; S56-H59 PolarHBondContact O-N 3.27Å; S56-K77 PolarHBondContact OG-N 2.94Å
57	N	85.8	Confident	85.3	Confident	97 Å²	97	63.2 Å²	63.2	52%	0.519	33%	0.326	S	S	.	.	S	Bend	trans	-124.1	97.6	-173.9	-72.8	-13.7	0	0	0	112.6	S42 S43	S42-N57 WeakPolarHBondContact CA-OD1 3.46Å; S42-N57 WeakPolarHBondContact CB-OD1 3.3Å; S42-N57 PolarHBondContact N-OD1 3.46Å; S42-N57 PolarHBondContact OG-ND2 3.32Å; S42-N57 PolarHBondContact OG-OD1 2.94Å; S43-N57 PolarHBondContact N-OD1 2.67Å
58	P	84.5	Confident	85	Confident	50 Å²	50	64.5 Å²	64.5	33%	0.325	33%	0.334	S	S	.	.	S	Bend	cis	-67.7	167.4	-16.6	31.4	-35.7	0	0	0	112.1	S56 C75	S56-P58 CarbonylContact C-O 3.5Å; S56-P58 WeakPolarHBondContact CB-O 3.24Å; S56-P58 CarbonylContact O-C 3.39Å; P58-C75 HydrophobicContact CG-CB 4.2Å
59	H	88.1	Confident	84.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.348	C	S	.	.			trans	-95.9	-51.2	174.9	-168.1	124.4	0	0	0	110.6	I40 V55 S56 C75 S76 T78 G79 T80 L103	I40-H59 WeakPolarHBondContact O-CA 3.49Å; I40-H59 WeakPolarHBondContact O-CB 3.48Å; I40-H59 PolarHBondContact O-N 3.37Å; V55-H59 HydrophobicContact CG1-CB 3.84Å; S56-H59 PolarHBondContact N-ND1 3.24Å; S56-H59 PolarHBondContact O-N 3.27Å; H59-C75 CarbonylContact O-C 3.47Å; H59-C75 WeakPolarHBondContact O-CA 3.47Å; H59-C75 PolarHBondContact O-N 2.76Å; H59-S76 WeakPolarHBondContact CD2-CB 3.49Å; H59-S76 PolarHBondContact NE2-OG 2.86Å; H59-S76 WeakPolarHBondContact O-CB 3.33Å; H59-S76 PolarHBondContact O-N 3.19Å; H59-S76 VanDerWaalsContact O-N 3.11Å; H59-T78 PolarHBondContact CE1-OG1 3.25Å; H59-T78 VanDerWaalsContact CE1-OG1 3.27Å; H59-G79 PolarHBondContact NE2-O 3.02Å; H59-T80 PolarHBondContact CD2-OG1 2.92Å; H59-T80 PolarHBondContact NE2-OG1 3.38Å; H59-L103 HydrophobicContact CB-CD2 4.39Å; H59-L103 WeakPolarHBondContact CD2-CD2 3.27Å; H59-L103 PolarHBondContact CE1-O 3.48Å
60	C	90.9	Very high	84.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	165.2	173.9	75.3	0	0	0	0	111.8	I40 L72 Y73 L103	I40-C60 PolarHBondContact N-O 3.29Å; I40-C60 PolarHBondContact O-N 2.98Å; C60-L72 HydrophobicContact CB-CD1 3.84Å; C60-Y73 CarbonylContact C-O 3.51Å; C60-Y73 WeakPolarHBondContact CA-O 3.22Å; C60-Y73 VanDerWaalsContact CB-O 3.26Å; C60-Y73 WeakPolarHBondContact CB-O 3.37Å; C60-L103 HydrophobicContact CB-CD2 4.24Å
61	L	91	Very high	85.2	Confident	40 Å²	40	66.2 Å²	66.2	21%	0.209	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.5	-178.5	176.5	152.8	0	0	0	109.2	V37 I38 T39 M63 Y73	V37-L61 HydrophobicContact CG1-CD1 3.64Å; V37-L61 HydrophobicContact CG1-CD2 4.04Å; V37-L61 HydrophobicContact CG1-CG 3.76Å; I38-L61 CarbonylContact O-C 3.58Å; I38-L61 WeakPolarHBondContact O-CA 3.37Å; T39-L61 HydrophobicContact CG2-CD1 4.2Å; L61-M63 HydrophobicContact CD2-CB 3.88Å; L61-Y73 HydrophobicContact CD2-CD2 3.74Å; L61-Y73 HydrophobicContact CD2-CE2 4.44Å; L61-Y73 HydrophobicContact CD2-CG 4.33Å; L61-Y73 PolarHBondContact N-O 3.31Å; L61-Y73 PolarHBondContact O-N 3.44Å
62	L	90.9	Very high	85.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.2	170.8	-68.5	164.7	0	0	0	108.7	L22 L33 V37 I38 I40 W71 L72 L95 F101	L22-L62 HydrophobicContact CD1-CD1 3.7Å; L22-L62 HydrophobicContact CD2-CD1 3.92Å; L22-L62 HydrophobicContact CG-CD1 4.29Å; L33-L62 HydrophobicContact CD1-CD1 4.19Å; V37-L62 CarbonylContact C-O 3.57Å; V37-L62 WeakPolarHBondContact CA-O 3.34Å; I38-L62 HydrophobicContact CB-CB 4.22Å; I38-L62 PolarHBondContact N-O 2.91Å; I38-L62 PolarHBondContact O-N 3.46Å; I40-L62 HydrophobicContact CD1-CD1 4.11Å; L62-W71 CarbonylContact C-O 3.54Å; L62-W71 VanDerWaalsContact CA-O 3.27Å; L62-W71 WeakPolarHBondContact CA-O 3.44Å; L62-L72 HydrophobicContact CD2-CB 3.98Å; L62-L72 HydrophobicContact CD2-CD1 3.74Å; L62-L72 HydrophobicContact CD2-CG 4.46Å; L62-L72 HydrophobicContact CG-CD1 4.21Å; L62-L95 HydrophobicContact CD2-CD1 3.44Å; L62-L95 VanDerWaalsContact CD2-CD1 3.44Å; L62-F101 HydrophobicContact CD1-CE1 4.36Å; L62-F101 HydrophobicContact CD1-CZ 4.2Å; L62-F101 HydrophobicContact CD2-CE1 4.37Å
63	M	88.3	Confident	86	Confident	57 Å²	57	58.5 Å²	58.5	28%	0.281	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.7	178	-174.8	171.2	76.9	0	0	110.9	E36 V37 L61 I70 W71 Y73	E36-M63 CarbonylContact O-C 3.58Å; E36-M63 WeakPolarHBondContact O-CA 3.46Å; V37-M63 HydrophobicContact CG2-CG 4.08Å; V37-M63 HydrophobicContact CG2-SD 4.48Å; L61-M63 HydrophobicContact CD2-CB 3.88Å; M63-I70 WeakPolarHBondContact O-CA 3.32Å; M63-W71 PolarHBondContact N-O 3.35Å; M63-W71 PolarHBondContact O-N 3.23Å; M63-Y73 HydrophobicContact CB-CD2 4.43Å; M63-Y73 HydrophobicContact CB-CE2 4.01Å; M63-Y73 HydrophobicContact CE-CE2 3.87Å; M63-Y73 WeakPolarHBondContact CE-OH 3.47Å
64	K	86.5	Confident	86.4	Confident	53 Å²	53	49.3 Å²	49.3	23%	0.23	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.7	170	-170.4	-168.3	178.1	-145.8	0	109.4	W19 E36 D68 I70	W19-K64 HydrophobicContact CB-CD 4.35Å; W19-K64 HydrophobicContact CD2-CD 3.93Å; W19-K64 HydrophobicContact CE3-CD 4.45Å; W19-K64 HydrophobicContact CG-CD 3.88Å; W19-K64 HydrophobicContact CH2-CB 4.31Å; W19-K64 HydrophobicContact CZ2-CB 3.94Å; E36-K64 PolarHBondContact O-N 3.22Å; K64-D68 WeakPolarHBondContact CE-OD1 3.3Å; K64-D68 IonicContact NZ-OD1 3.96Å; K64-D68 PolarHBondContact NZ-OD1 3.47Å; K64-I70 HydrophobicContact CB-CG1 4.26Å; K64-I70 HydrophobicContact CG-CG1 3.99Å
65	D	83.6	Confident	86.6	Confident	52 Å²	52	46.7 Å²	46.7	28%	0.278	25%	0.253	S	S	.	.			trans	-70	145.2	174.9	-161.2	-23.7	0	0	0	110.4	D67 D68 V69 W71	D65-D67 PolarHBondContact O-N 3.37Å; D65-D68 WeakPolarHBondContact O-CA 3.45Å; D65-D68 PolarHBondContact O-N 2.76Å; D65-V69 HydrophobicContact CB-CB 4.2Å; D65-V69 VanDerWaalsContact CB-O 3.27Å; D65-V69 WeakPolarHBondContact CB-O 3.46Å; D65-V69 PolarHBondContact N-O 3.24Å; D65-W71 PolarHBondContact OD2-NE1 3.11Å
66	P	77.8	Confident	86.7	Confident	127 Å²	127	46.6 Å²	46.6	83%	0.825	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.1	-28.3	165.6	-35.3	32.8	0	0	0	116.9	D68	P66-D68 PolarHBondContact O-N 2.93Å
67	D	79.4	Confident	86.5	Confident	109 Å²	109	54.5 Å²	54.5	58%	0.583	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	11.9	174.1	-86.7	-8	0	0	0	113.9	D65 V69 R516	D65-D67 PolarHBondContact O-N 3.37Å; D67-V69 HydrophobicContact CB-CG2 4.2Å; D67-V69 PolarHBondContact O-N 3.08Å; D67-R516 IonicContact OD2-NH1 2.72Å
68	D	77.6	Confident	86.4	Confident	105 Å²	105	53 Å²	53	56%	0.561	28%	0.279	S	S	*	.	S	Bend	trans	60.6	11.8	-170.8	-77.4	-35.4	0	0	0	114.7	K64 D65 P66	K64-D68 WeakPolarHBondContact CE-OD1 3.3Å; K64-D68 IonicContact NZ-OD1 3.96Å; K64-D68 PolarHBondContact NZ-OD1 3.47Å; D65-D68 WeakPolarHBondContact O-CA 3.45Å; D65-D68 PolarHBondContact O-N 2.76Å; P66-D68 PolarHBondContact O-N 2.93Å
69	V	83.9	Confident	86.5	Confident	54 Å²	54	50.6 Å²	50.6	33%	0.327	26%	0.264	S	S	.	.			trans	-81.6	134.7	176.1	-177.7	0	0	0	0	110.1	D65 D67 W71 T94	D65-V69 HydrophobicContact CB-CB 4.2Å; D65-V69 VanDerWaalsContact CB-O 3.27Å; D65-V69 WeakPolarHBondContact CB-O 3.46Å; D65-V69 PolarHBondContact N-O 3.24Å; D67-V69 HydrophobicContact CB-CG2 4.2Å; D67-V69 PolarHBondContact O-N 3.08Å; V69-W71 HydrophobicContact CG1-CZ2 4.38Å; V69-T94 HydrophobicContact CG1-CG2 3.71Å
70	I	87.6	Confident	86.6	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.1	-178.3	-67.1	147.7	0	0	0	109.1	W19 M63 K64 T94 L95 F120	W19-I70 HydrophobicContact CE3-CD1 3.5Å; W19-I70 VanDerWaalsContact CE3-CD1 3.5Å; W19-I70 HydrophobicContact CE3-CG1 4Å; W19-I70 HydrophobicContact CH2-CD1 4.45Å; W19-I70 HydrophobicContact CH2-CG1 4.17Å; W19-I70 HydrophobicContact CH2-CG2 4.06Å; W19-I70 HydrophobicContact CZ3-CB 4.36Å; W19-I70 HydrophobicContact CZ3-CD1 3.4Å; W19-I70 VanDerWaalsContact CZ3-CD1 3.4Å; W19-I70 HydrophobicContact CZ3-CG1 3.56Å; W19-I70 HydrophobicContact CZ3-CG2 3.86Å; M63-I70 WeakPolarHBondContact O-CA 3.32Å; K64-I70 HydrophobicContact CB-CG1 4.26Å; K64-I70 HydrophobicContact CG-CG1 3.99Å; I70-T94 WeakPolarHBondContact O-CA 3.46Å; I70-L95 HydrophobicContact CG2-CB 4.37Å; I70-L95 PolarHBondContact O-N 3.23Å; I70-F120 HydrophobicContact CB-CE1 4.25Å; I70-F120 HydrophobicContact CB-CZ 3.92Å; I70-F120 HydrophobicContact CD1-CD1 3.65Å; I70-F120 HydrophobicContact CD1-CD2 4.06Å; I70-F120 HydrophobicContact CD1-CE1 3.37Å; I70-F120 HydrophobicContact CD1-CE2 3.78Å; I70-F120 HydrophobicContact CD1-CG 4.01Å; I70-F120 HydrophobicContact CD1-CZ 3.44Å; I70-F120 VanDerWaalsContact CD1-CZ 3.44Å; I70-F120 HydrophobicContact CG1-CE1 4.37Å; I70-F120 HydrophobicContact CG1-CZ 4.28Å; I70-F120 HydrophobicContact CG2-CE1 4.23Å; I70-F120 HydrophobicContact CG2-CZ 4.28Å
71	W	90.8	Very high	86.5	Confident	66 Å²	66	52.8 Å²	52.8	25%	0.25	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.3	-175.2	-64.9	91.5	0	0	0	110	L62 M63 D65 V69 Y73 C92 V93 T94	L62-W71 CarbonylContact C-O 3.54Å; L62-W71 VanDerWaalsContact CA-O 3.27Å; L62-W71 WeakPolarHBondContact CA-O 3.44Å; M63-W71 PolarHBondContact N-O 3.35Å; M63-W71 PolarHBondContact O-N 3.23Å; D65-W71 PolarHBondContact OD2-NE1 3.11Å; V69-W71 HydrophobicContact CG1-CZ2 4.38Å; W71-Y73 HydrophobicContact CB-CD2 4.14Å; W71-Y73 HydrophobicContact CB-CE2 3.48Å; W71-Y73 VanDerWaalsContact CB-CE2 3.48Å; W71-Y73 HydrophobicContact CG-CE2 4.26Å; W71-C92 HydrophobicContact CE3-CB 4.42Å; W71-V93 CarbonylContact C-O 3.45Å; W71-V93 WeakPolarHBondContact CA-O 3.31Å; W71-T94 HydrophobicContact CD2-CG2 3.77Å; W71-T94 HydrophobicContact CE3-CG2 3.6Å; W71-T94 HydrophobicContact CH2-CG2 3.59Å; W71-T94 HydrophobicContact CZ2-CG2 3.75Å; W71-T94 HydrophobicContact CZ3-CG2 3.52Å
72	L	91.9	Very high	86.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.8	167	173.6	68.3	0	0	0	108	C60 L62 T80 L88 C92 V93 L95 F101	C60-L72 HydrophobicContact CB-CD1 3.84Å; L62-L72 HydrophobicContact CD2-CB 3.98Å; L62-L72 HydrophobicContact CD2-CD1 3.74Å; L62-L72 HydrophobicContact CD2-CG 4.46Å; L62-L72 HydrophobicContact CG-CD1 4.21Å; L72-T80 HydrophobicContact CD2-CG2 4.17Å; L72-L88 HydrophobicContact CD2-CD2 4.47Å; L72-L88 HydrophobicContact CG-CD2 4.33Å; L72-C92 CarbonylContact O-C 3.53Å; L72-C92 WeakPolarHBondContact O-CA 3.49Å; L72-V93 HydrophobicContact CB-CG1 4.02Å; L72-V93 HydrophobicContact CD2-CG1 4.27Å; L72-V93 PolarHBondContact N-O 3.38Å; L72-V93 PolarHBondContact O-N 2.9Å; L72-L95 HydrophobicContact CB-CD1 3.85Å; L72-L95 HydrophobicContact CB-CD2 4.21Å; L72-L95 HydrophobicContact CB-CG 3.88Å; L72-L95 HydrophobicContact CD2-CD2 4.3Å; L72-F101 HydrophobicContact CD1-CD2 4.38Å; L72-F101 HydrophobicContact CD1-CE2 4.42Å; L72-F101 HydrophobicContact CD1-CG 4.49Å; L72-F101 HydrophobicContact CD2-CB 3.65Å; L72-F101 HydrophobicContact CD2-CD1 4.09Å; L72-F101 HydrophobicContact CD2-CD2 4.25Å; L72-F101 HydrophobicContact CD2-CG 3.75Å
73	Y	90.5	Very high	85.8	Confident	73 Å²	73	54.6 Å²	54.6	29%	0.286	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.7	172.9	-66.7	-98	0	0	0	108.7	C60 L61 M63 W71 C92	C60-Y73 CarbonylContact C-O 3.51Å; C60-Y73 WeakPolarHBondContact CA-O 3.22Å; C60-Y73 VanDerWaalsContact CB-O 3.26Å; C60-Y73 WeakPolarHBondContact CB-O 3.37Å; L61-Y73 HydrophobicContact CD2-CD2 3.74Å; L61-Y73 HydrophobicContact CD2-CE2 4.44Å; L61-Y73 HydrophobicContact CD2-CG 4.33Å; L61-Y73 PolarHBondContact N-O 3.31Å; L61-Y73 PolarHBondContact O-N 3.44Å; M63-Y73 HydrophobicContact CB-CD2 4.43Å; M63-Y73 HydrophobicContact CB-CE2 4.01Å; M63-Y73 HydrophobicContact CE-CE2 3.87Å; M63-Y73 WeakPolarHBondContact CE-OH 3.47Å; W71-Y73 HydrophobicContact CB-CD2 4.14Å; W71-Y73 HydrophobicContact CB-CE2 3.48Å; W71-Y73 VanDerWaalsContact CB-CE2 3.48Å; W71-Y73 HydrophobicContact CG-CE2 4.26Å; Y73-C92 HydrophobicContact CD1-CB 3.38Å; Y73-C92 HydrophobicContact CD2-CB 4.4Å; Y73-C92 HydrophobicContact CE1-CB 3.41Å; Y73-C92 VanDerWaalsContact CE1-CB 3.41Å; Y73-C92 HydrophobicContact CE2-CB 4.44Å; Y73-C92 HydrophobicContact CG-CB 3.89Å
74	D	90.8	Very high	85.3	Confident	6 Å²	6	56 Å²	56	3%	0.032	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.8	165.7	178.8	75.6	0	0	0	110.1	S76 T80 L88 Q89 Q90 D91	D74-S76 WeakPolarHBondContact OD1-CB 3.24Å; D74-S76 PolarHBondContact OD1-OG 3.48Å; D74-S76 PolarHBondContact OD2-N 3.48Å; D74-S76 PolarHBondContact OD2-OG 2.79Å; D74-T80 WeakPolarHBondContact OD1-CB 3.33Å; D74-T80 PolarHBondContact OD1-N 2.61Å; D74-T80 PolarHBondContact OD1-OG1 3.31Å; D74-L88 HydrophobicContact CB-CB 4.32Å; D74-L88 HydrophobicContact CB-CD2 4.06Å; D74-L88 HydrophobicContact CB-CG 4.01Å; D74-L88 VanDerWaalsContact CB-O 3.27Å; D74-L88 WeakPolarHBondContact CB-O 3.4Å; D74-Q89 WeakPolarHBondContact OD2-CA 3.45Å; D74-Q90 PolarHBondContact OD2-N 3.09Å; D74-D91 PolarHBondContact N-O 3.38Å
75	C	86.3	Confident	84.9	Confident	63 Å²	63	55 Å²	55	43%	0.426	30%	0.302	S	S	.	.			trans	-124.6	11.2	175.9	-61.4	0	0	0	0	111.4	P58 H59	P58-C75 HydrophobicContact CG-CB 4.2Å; H59-C75 CarbonylContact O-C 3.47Å; H59-C75 WeakPolarHBondContact O-CA 3.47Å; H59-C75 PolarHBondContact O-N 2.76Å
76	S	87.2	Confident	84.9	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.021	31%	0.311	C	S	.	.			trans	-91.9	167.5	-166.9	73.8	0	0	0	0	112.7	H59 D74 G79	H59-S76 WeakPolarHBondContact CD2-CB 3.49Å; H59-S76 PolarHBondContact NE2-OG 2.86Å; H59-S76 WeakPolarHBondContact O-CB 3.33Å; H59-S76 PolarHBondContact O-N 3.19Å; H59-S76 VanDerWaalsContact O-N 3.11Å; D74-S76 WeakPolarHBondContact OD1-CB 3.24Å; D74-S76 PolarHBondContact OD1-OG 3.48Å; D74-S76 PolarHBondContact OD2-N 3.48Å; D74-S76 PolarHBondContact OD2-OG 2.79Å; S76-G79 VanDerWaalsContact OG-C 3.3Å; S76-G79 WeakPolarHBondContact OG-CA 3.34Å; S76-G79 PolarHBondContact OG-N 2.77Å
77	K	83.2	Confident	85.2	Confident	182 Å²	182	57.2 Å²	57.2	79%	0.791	29%	0.293	S	S	*	.	S	Bend	trans	-79.2	-31.1	170.3	-63.2	177	-178	174.7	0	112	S56 Q89	S56-K77 PolarHBondContact OG-N 2.94Å; K77-Q89 PolarHBondContact O-NE2 2.88Å
78	T	84.1	Confident	85.5	Confident	65 Å²	65	52.9 Å²	52.9	40%	0.399	27%	0.269	S	S	.	.	S	Bend	trans	-90.3	-20.9	-172.6	48.2	0	0	0	0	113.9	H59	H59-T78 PolarHBondContact CE1-OG1 3.25Å; H59-T78 VanDerWaalsContact CE1-OG1 3.27Å
79	G	86.7	Confident	85.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.			trans	82.5	160.8	-163.5	0	0	0	0	0	112.6	H59 S76 W87 L88	H59-G79 PolarHBondContact NE2-O 3.02Å; S76-G79 VanDerWaalsContact OG-C 3.3Å; S76-G79 WeakPolarHBondContact OG-CA 3.34Å; S76-G79 PolarHBondContact OG-N 2.77Å; G79-W87 VanDerWaalsContact O-CZ3 3.29Å; G79-W87 WeakPolarHBondContact O-CZ3 3.08Å; G79-L88 CarbonylContact C-O 3.5Å; G79-L88 VanDerWaalsContact CA-O 3.22Å; G79-L88 WeakPolarHBondContact CA-O 3.42Å
80	T	89.2	Confident	85.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.5	172.3	-60	0	0	0	0	109.2	H59 L72 D74 L88 F101 L103	H59-T80 PolarHBondContact CD2-OG1 2.92Å; H59-T80 PolarHBondContact NE2-OG1 3.38Å; L72-T80 HydrophobicContact CD2-CG2 4.17Å; D74-T80 WeakPolarHBondContact OD1-CB 3.33Å; D74-T80 PolarHBondContact OD1-N 2.61Å; D74-T80 PolarHBondContact OD1-OG1 3.31Å; T80-L88 PolarHBondContact N-O 2.89Å; T80-L88 WeakPolarHBondContact O-CB 3.42Å; T80-L88 PolarHBondContact O-N 3.46Å; T80-F101 HydrophobicContact CG2-CB 4.04Å; T80-F101 HydrophobicContact CG2-CD2 3.95Å; T80-F101 HydrophobicContact CG2-CG 4.43Å; T80-L103 HydrophobicContact CG2-CD2 4.12Å
81	R	89.9	Confident	85.9	Confident	45 Å²	45	63.1 Å²	63.1	17%	0.17	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.5	-178.1	-175	176.4	-178.8	146.3	5.9	111.9	K86 W87 F101 Y102	R81-K86 CarbonylContact C-O 3.54Å; R81-K86 WeakPolarHBondContact CA-O 3.46Å; R81-W87 HydrophobicContact CB-CD2 3.9Å; R81-W87 HydrophobicContact CB-CE3 3.76Å; R81-W87 HydrophobicContact CB-CH2 4.03Å; R81-W87 HydrophobicContact CB-CZ2 4.15Å; R81-W87 HydrophobicContact CB-CZ3 3.82Å; R81-W87 HydrophobicContact CG-CD2 4.42Å; R81-F101 CarbonylContact O-C 3.56Å; R81-F101 VanDerWaalsContact O-CA 3.31Å; R81-F101 WeakPolarHBondContact O-CA 3.48Å; R81-Y102 PolarHBondContact N-O 2.9Å; R81-Y102 PolarHBondContact O-N 3.48Å
82	C	87.4	Confident	85.8	Confident	14 Å²	14	62 Å²	62	10%	0.095	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	172.2	-175.8	-67.7	0	0	0	0	113.7	D84 G85 K86 Y100	C82-D84 PolarHBondContact O-N 3.49Å; C82-G85 WeakPolarHBondContact O-CA 3.48Å; C82-G85 PolarHBondContact O-N 2.72Å; C82-K86 PolarHBondContact N-O 3.3Å; C82-Y100 CarbonylContact C-O 3.52Å
83	S	79.7	Confident	85.7	Confident	64 Å²	64	64.3 Å²	64.3	45%	0.448	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23	-178.9	58.4	0	0	0	0	114.3	G85 D99 Y100	S83-G85 PolarHBondContact O-N 2.72Å; S83-D99 PolarHBondContact OG-OD1 2.96Å; S83-D99 VanDerWaalsContact OG-OD1 3.12Å; S83-Y100 WeakPolarHBondContact CA-O 3.42Å; S83-Y100 WeakPolarHBondContact CB-O 3.43Å; S83-Y100 PolarHBondContact N-O 2.71Å
84	D	77.6	Confident	85.7	Confident	86 Å²	86	63.3 Å²	63.3	46%	0.46	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.2	173.3	79.6	-23.2	0	0	0	113.6	C82 K86	C82-D84 PolarHBondContact O-N 3.49Å; D84-K86 VanDerWaalsContact C-N 3.34Å; D84-K86 WeakPolarHBondContact OD1-CB 3.44Å; D84-K86 PolarHBondContact OD1-N 3.27Å; D84-K86 WeakPolarHBondContact OD2-CD 3.12Å; D84-K86 WeakPolarHBondContact OD2-CE 3.29Å; D84-K86 WeakPolarHBondContact OD2-CG 3.27Å; D84-K86 IonicContact OD2-NZ 3.58Å; D84-K86 PolarHBondContact OD2-NZ 3.37Å
85	G	78.5	Confident	85.5	Confident	33 Å²	33	63.5 Å²	63.5	34%	0.34	33%	0.332	S	S	.	.	S	Bend	trans	85	-1.4	179.3	0	0	0	0	0	114.8	C82 S83	C82-G85 WeakPolarHBondContact O-CA 3.48Å; C82-G85 PolarHBondContact O-N 2.72Å; S83-G85 PolarHBondContact O-N 2.72Å
86	K	82.6	Confident	85.4	Confident	109 Å²	109	64.7 Å²	64.7	47%	0.474	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-86.2	158.5	176.5	-59.4	-174	-162.1	118.7	0	111.8	R81 C82 D84	R81-K86 CarbonylContact C-O 3.54Å; R81-K86 WeakPolarHBondContact CA-O 3.46Å; C82-K86 PolarHBondContact N-O 3.3Å; D84-K86 VanDerWaalsContact C-N 3.34Å; D84-K86 WeakPolarHBondContact OD1-CB 3.44Å; D84-K86 PolarHBondContact OD1-N 3.27Å; D84-K86 WeakPolarHBondContact OD2-CD 3.12Å; D84-K86 WeakPolarHBondContact OD2-CE 3.29Å; D84-K86 WeakPolarHBondContact OD2-CG 3.27Å; D84-K86 IonicContact OD2-NZ 3.58Å; D84-K86 PolarHBondContact OD2-NZ 3.37Å
87	W	85	Confident	85.2	Confident	117 Å²	117	66.7 Å²	66.7	44%	0.443	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.5	168.2	-67	94.2	0	0	0	109.6	G79 R81 W105	G79-W87 VanDerWaalsContact O-CZ3 3.29Å; G79-W87 WeakPolarHBondContact O-CZ3 3.08Å; R81-W87 HydrophobicContact CB-CD2 3.9Å; R81-W87 HydrophobicContact CB-CE3 3.76Å; R81-W87 HydrophobicContact CB-CH2 4.03Å; R81-W87 HydrophobicContact CB-CZ2 4.15Å; R81-W87 HydrophobicContact CB-CZ3 3.82Å; R81-W87 HydrophobicContact CG-CD2 4.42Å; W87-W105 HydrophobicContact CH2-CB 3.87Å; W87-W105 HydrophobicContact CZ2-CB 3.99Å
88	L	85.5	Confident	85	Confident	18 Å²	18	59.5 Å²	59.5	9%	0.094	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.2	166.8	-170.1	75.3	0	0	0	106.6	L72 D74 G79 T80 D91 V93	L72-L88 HydrophobicContact CD2-CD2 4.47Å; L72-L88 HydrophobicContact CG-CD2 4.33Å; D74-L88 HydrophobicContact CB-CB 4.32Å; D74-L88 HydrophobicContact CB-CD2 4.06Å; D74-L88 HydrophobicContact CB-CG 4.01Å; D74-L88 VanDerWaalsContact CB-O 3.27Å; D74-L88 WeakPolarHBondContact CB-O 3.4Å; G79-L88 CarbonylContact C-O 3.5Å; G79-L88 VanDerWaalsContact CA-O 3.22Å; G79-L88 WeakPolarHBondContact CA-O 3.42Å; T80-L88 PolarHBondContact N-O 2.89Å; T80-L88 WeakPolarHBondContact O-CB 3.42Å; T80-L88 PolarHBondContact O-N 3.46Å; L88-D91 HydrophobicContact CD1-CB 3.82Å; L88-D91 WeakPolarHBondContact CD2-O 3.34Å; L88-D91 HydrophobicContact CG-CB 4.34Å; L88-D91 WeakPolarHBondContact CG-O 3.48Å; L88-V93 HydrophobicContact CD1-CB 4.28Å; L88-V93 HydrophobicContact CD2-CB 4.38Å; L88-V93 HydrophobicContact CD2-CG1 3.93Å
89	Q	85.8	Confident	85.2	Confident	118 Å²	118	58 Å²	58	55%	0.551	31%	0.31	S	S	*	.			trans	-129.8	114.6	-177.8	-169.3	176.8	26.6	0	0	109.1	D74 K77 D91	D74-Q89 WeakPolarHBondContact OD2-CA 3.45Å; K77-Q89 PolarHBondContact O-NE2 2.88Å; Q89-D91 PolarHBondContact O-N 3.25Å
90	Q	83.7	Confident	85.3	Confident	166 Å²	166	62.8 Å²	62.8	78%	0.776	33%	0.329	S	S	*	.	S	Bend	trans	53.6	29.4	-175	-57.1	-173.9	-21	0	0	114.6	D74	D74-Q90 PolarHBondContact OD2-N 3.09Å
91	D	87.7	Confident	85.3	Confident	98 Å²	98	62.8 Å²	62.8	52%	0.524	33%	0.329	S	S	.	.			trans	-135	176.6	-177.1	-167	11.9	0	0	0	110.2	D74 L88 Q89	D74-D91 PolarHBondContact N-O 3.38Å; L88-D91 HydrophobicContact CD1-CB 3.82Å; L88-D91 WeakPolarHBondContact CD2-O 3.34Å; L88-D91 HydrophobicContact CG-CB 4.34Å; L88-D91 WeakPolarHBondContact CG-O 3.48Å; Q89-D91 PolarHBondContact O-N 3.25Å
92	C	89.4	Confident	85.3	Confident	41 Å²	41	62.5 Å²	62.5	28%	0.277	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.3	-177.5	70.1	0	0	0	0	114	W71 L72 Y73	W71-C92 HydrophobicContact CE3-CB 4.42Å; L72-C92 CarbonylContact O-C 3.53Å; L72-C92 WeakPolarHBondContact O-CA 3.49Å; Y73-C92 HydrophobicContact CD1-CB 3.38Å; Y73-C92 HydrophobicContact CD2-CB 4.4Å; Y73-C92 HydrophobicContact CE1-CB 3.41Å; Y73-C92 VanDerWaalsContact CE1-CB 3.41Å; Y73-C92 HydrophobicContact CE2-CB 4.44Å; Y73-C92 HydrophobicContact CG-CB 3.89Å
93	V	89.9	Confident	85.4	Confident	49 Å²	49	61.9 Å²	61.9	30%	0.297	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.5	177.7	70.8	0	0	0	0	110.9	W71 L72 L88 L95	W71-V93 CarbonylContact C-O 3.45Å; W71-V93 WeakPolarHBondContact CA-O 3.31Å; L72-V93 HydrophobicContact CB-CG1 4.02Å; L72-V93 HydrophobicContact CD2-CG1 4.27Å; L72-V93 PolarHBondContact N-O 3.38Å; L72-V93 PolarHBondContact O-N 2.9Å; L88-V93 HydrophobicContact CD1-CB 4.28Å; L88-V93 HydrophobicContact CD2-CB 4.38Å; L88-V93 HydrophobicContact CD2-CG1 3.93Å; V93-L95 HydrophobicContact CG1-CD2 4.25Å
94	T	89.5	Confident	85.7	Confident	53 Å²	53	59.1 Å²	59.1	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.3	171.4	51.7	0	0	0	0	110.8	V69 I70 W71	V69-T94 HydrophobicContact CG1-CG2 3.71Å; I70-T94 WeakPolarHBondContact O-CA 3.46Å; W71-T94 HydrophobicContact CD2-CG2 3.77Å; W71-T94 HydrophobicContact CE3-CG2 3.6Å; W71-T94 HydrophobicContact CH2-CG2 3.59Å; W71-T94 HydrophobicContact CZ2-CG2 3.75Å; W71-T94 HydrophobicContact CZ3-CG2 3.52Å
95	L	86.5	Confident	86	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.052	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	152.7	176.6	-64.3	-173.8	0	0	0	111.9	L62 I70 L72 V93 D99 F101 V118 F120	L62-L95 HydrophobicContact CD2-CD1 3.44Å; L62-L95 VanDerWaalsContact CD2-CD1 3.44Å; I70-L95 HydrophobicContact CG2-CB 4.37Å; I70-L95 PolarHBondContact O-N 3.23Å; L72-L95 HydrophobicContact CB-CD1 3.85Å; L72-L95 HydrophobicContact CB-CD2 4.21Å; L72-L95 HydrophobicContact CB-CG 3.88Å; L72-L95 HydrophobicContact CD2-CD2 4.3Å; V93-L95 HydrophobicContact CG1-CD2 4.25Å; L95-D99 HydrophobicContact CD2-CB 4.09Å; L95-F101 HydrophobicContact CD1-CD1 4.32Å; L95-F101 HydrophobicContact CD1-CE1 4.46Å; L95-V118 HydrophobicContact CD1-CG2 3.76Å; L95-F120 HydrophobicContact CB-CZ 4.45Å; L95-F120 WeakPolarHBondContact O-CZ 3.43Å
96	H	84.8	Confident	86.2	Confident	88 Å²	88	58.5 Å²	58.5	41%	0.407	29%	0.288	S	S	.	.			trans	-127.4	161.8	173.3	-51.8	78.6	0	0	0	110.1	G98 D99	H96-G98 PolarHBondContact O-N 3.37Å; H96-D99 WeakPolarHBondContact CA-OD2 3.32Å; H96-D99 WeakPolarHBondContact CB-OD2 3.45Å; H96-D99 IonicContact CG-OD2 2.65Å; H96-D99 PolarHBondContact N-OD2 3.49Å; H96-D99 IonicContact ND1-OD2 2.77Å; H96-D99 PolarHBondContact ND1-OD2 3.44Å; H96-D99 WeakPolarHBondContact O-CB 3.41Å; H96-D99 PolarHBondContact O-N 3.46Å
97	T	81.9	Confident	86	Confident	44 Å²	44	60.6 Å²	60.6	27%	0.27	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	125.6	169.2	-65.1	0	0	0	0	110.9	V118 L119 F120 D123	T97-V118 CarbonylContact C-O 3.58Å; T97-V118 WeakPolarHBondContact CA-O 3.23Å; T97-L119 HydrophobicContact CG2-CD2 3.73Å; T97-F120 VanDerWaalsContact OG1-CB 3.31Å; T97-F120 WeakPolarHBondContact OG1-CB 3.43Å; T97-F120 WeakPolarHBondContact OG1-CD2 3.48Å; T97-F120 VanDerWaalsContact OG1-CG 3.29Å; T97-F120 WeakPolarHBondContact OG1-CG 3.47Å; T97-F120 PolarHBondContact OG1-N 2.85Å; T97-F120 VanDerWaalsContact OG1-N 3.13Å; T97-D123 WeakPolarHBondContact CB-OD2 3.02Å; T97-D123 HydrophobicContact CG2-CB 3.94Å; T97-D123 VanDerWaalsContact CG2-OD2 3.32Å; T97-D123 WeakPolarHBondContact CG2-OD2 3.49Å; T97-D123 PolarHBondContact OG1-OD2 3.4Å
98	G	80.4	Confident	85.6	Confident	32 Å²	32	61.6 Å²	61.6	33%	0.33	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	1.1	-179	0	0	0	0	0	114.6	H96 Y100 V118	H96-G98 PolarHBondContact O-N 3.37Å; G98-Y100 VanDerWaalsContact O-CD2 3.27Å; G98-Y100 WeakPolarHBondContact O-CD2 3.39Å; G98-Y100 WeakPolarHBondContact O-CE2 3.25Å; G98-V118 PolarHBondContact N-O 2.96Å
99	D	87.5	Confident	85.2	Confident	33 Å²	33	63.5 Å²	63.5	18%	0.176	33%	0.328	C	S	.	.			trans	-74.4	144.9	170.8	-78.2	-39.1	0	0	0	111.5	S83 L95 H96 C117 V118	S83-D99 PolarHBondContact OG-OD1 2.96Å; S83-D99 VanDerWaalsContact OG-OD1 3.12Å; L95-D99 HydrophobicContact CD2-CB 4.09Å; H96-D99 WeakPolarHBondContact CA-OD2 3.32Å; H96-D99 WeakPolarHBondContact CB-OD2 3.45Å; H96-D99 IonicContact CG-OD2 2.65Å; H96-D99 PolarHBondContact N-OD2 3.49Å; H96-D99 IonicContact ND1-OD2 2.77Å; H96-D99 PolarHBondContact ND1-OD2 3.44Å; H96-D99 WeakPolarHBondContact O-CB 3.41Å; H96-D99 PolarHBondContact O-N 3.46Å; D99-C117 WeakPolarHBondContact O-CA 3.2Å; D99-V118 PolarHBondContact O-N 3.45Å
100	Y	88.2	Confident	84.7	Confident	100 Å²	100	61.7 Å²	61.7	39%	0.392	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143	179.2	-62.1	-101.8	0	0	0	109.8	V25 C82 S83 G98 F116 C117	V25-Y100 HydrophobicContact CG2-CD1 3.84Å; V25-Y100 HydrophobicContact CG2-CE1 4.25Å; C82-Y100 CarbonylContact C-O 3.52Å; S83-Y100 WeakPolarHBondContact CA-O 3.42Å; S83-Y100 WeakPolarHBondContact CB-O 3.43Å; S83-Y100 PolarHBondContact N-O 2.71Å; G98-Y100 VanDerWaalsContact O-CD2 3.27Å; G98-Y100 WeakPolarHBondContact O-CD2 3.39Å; G98-Y100 WeakPolarHBondContact O-CE2 3.25Å; Y100-F116 VanDerWaalsContact CA-O 3.32Å; Y100-F116 WeakPolarHBondContact CA-O 3.49Å; Y100-C117 HydrophobicContact CD1-CB 3.71Å; Y100-C117 HydrophobicContact CE1-CB 3.5Å; Y100-C117 HydrophobicContact CG-CB 4.43Å
101	F	90.9	Very high	84.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.9	165.3	66.1	-89.9	0	0	0	110.6	L22 I40 L62 L72 T80 R81 L95 L103 G115 F116 V118	L22-F101 HydrophobicContact CD2-CE1 3.94Å; L22-F101 HydrophobicContact CD2-CZ 4.23Å; I40-F101 HydrophobicContact CD1-CE2 4.02Å; I40-F101 HydrophobicContact CD1-CZ 3.78Å; L62-F101 HydrophobicContact CD1-CE1 4.36Å; L62-F101 HydrophobicContact CD1-CZ 4.2Å; L62-F101 HydrophobicContact CD2-CE1 4.37Å; L72-F101 HydrophobicContact CD1-CD2 4.38Å; L72-F101 HydrophobicContact CD1-CE2 4.42Å; L72-F101 HydrophobicContact CD1-CG 4.49Å; L72-F101 HydrophobicContact CD2-CB 3.65Å; L72-F101 HydrophobicContact CD2-CD1 4.09Å; L72-F101 HydrophobicContact CD2-CD2 4.25Å; L72-F101 HydrophobicContact CD2-CG 3.75Å; T80-F101 HydrophobicContact CG2-CB 4.04Å; T80-F101 HydrophobicContact CG2-CD2 3.95Å; T80-F101 HydrophobicContact CG2-CG 4.43Å; R81-F101 CarbonylContact O-C 3.56Å; R81-F101 VanDerWaalsContact O-CA 3.31Å; R81-F101 WeakPolarHBondContact O-CA 3.48Å; L95-F101 HydrophobicContact CD1-CD1 4.32Å; L95-F101 HydrophobicContact CD1-CE1 4.46Å; F101-L103 HydrophobicContact CD2-CD2 4.27Å; F101-L103 HydrophobicContact CE2-CD2 4.24Å; F101-L103 HydrophobicContact CE2-CG 4.47Å; F101-G115 CarbonylContact O-C 3.55Å; F101-G115 WeakPolarHBondContact O-CA 3.29Å; F101-F116 HydrophobicContact CE1-CB 3.97Å; F101-F116 HydrophobicContact CE2-CB 4.37Å; F101-F116 AromaticContact CE2-CD2 3.75Å; F101-F116 HydrophobicContact CE2-CD2 3.75Å; F101-F116 HydrophobicContact CZ-CB 3.84Å; F101-F116 AromaticContact CZ-CD2 3.81Å; F101-F116 HydrophobicContact CZ-CD2 3.81Å; F101-F116 HydrophobicContact CZ-CG 4.21Å; F101-F116 PolarHBondContact N-O 3.16Å; F101-F116 PolarHBondContact O-N 3.07Å; F101-V118 HydrophobicContact CD1-CG2 3.92Å; F101-V118 HydrophobicContact CE1-CG2 3.61Å
102	Y	89.6	Confident	83.7	Confident	39 Å²	39	58.6 Å²	58.6	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126	-176.8	-59.5	-98.1	0	0	0	109.6	V25 R81 W105 R113 V114	V25-Y102 HydrophobicContact CB-CE1 4.36Å; V25-Y102 HydrophobicContact CG1-CE1 4.1Å; V25-Y102 HydrophobicContact CG2-CE1 4.22Å; R81-Y102 PolarHBondContact N-O 2.9Å; R81-Y102 PolarHBondContact O-N 3.48Å; Y102-W105 AromaticContact CD1-CE3 3.91Å; Y102-W105 HydrophobicContact CD1-CE3 3.91Å; Y102-W105 HydrophobicContact CD1-CZ3 4.05Å; Y102-W105 AromaticContact CD2-CE3 3.98Å; Y102-W105 HydrophobicContact CD2-CE3 3.98Å; Y102-W105 AromaticContact CD2-CZ3 3.89Å; Y102-W105 HydrophobicContact CD2-CZ3 3.89Å; Y102-W105 HydrophobicContact CE1-CE3 4.31Å; Y102-W105 AromaticContact CE1-CZ3 3.99Å; Y102-W105 HydrophobicContact CE1-CZ3 3.99Å; Y102-W105 HydrophobicContact CE2-CE3 4.4Å; Y102-W105 AromaticContact CE2-CZ3 3.85Å; Y102-W105 HydrophobicContact CE2-CZ3 3.85Å; Y102-W105 AromaticContact CG-CE3 3.73Å; Y102-W105 HydrophobicContact CG-CE3 3.73Å; Y102-W105 HydrophobicContact CG-CZ3 4.01Å; Y102-W105 AromaticContact CZ-CZ3 3.9Å; Y102-R113 HydrophobicContact CD1-CB 4.41Å; Y102-V114 CarbonylContact C-O 3.39Å; Y102-V114 VanDerWaalsContact CA-O 3.32Å; Y102-V114 WeakPolarHBondContact CA-O 3.32Å
103	L	88.5	Confident	83.5	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-29.3	177.1	-54.7	166.8	0	0	0	110.6	I40 I50 H59 C60 T80 F101 V114 F116	I40-L103 HydrophobicContact CG2-CD1 3.7Å; I50-L103 HydrophobicContact CD1-CD1 3.39Å; H59-L103 HydrophobicContact CB-CD2 4.39Å; H59-L103 WeakPolarHBondContact CD2-CD2 3.27Å; H59-L103 PolarHBondContact CE1-O 3.48Å; C60-L103 HydrophobicContact CB-CD2 4.24Å; T80-L103 HydrophobicContact CG2-CD2 4.12Å; F101-L103 HydrophobicContact CD2-CD2 4.27Å; F101-L103 HydrophobicContact CE2-CD2 4.24Å; F101-L103 HydrophobicContact CE2-CG 4.47Å; L103-V114 PolarHBondContact N-O 3.43Å; L103-F116 HydrophobicContact CD1-CD2 4.43Å; L103-F116 HydrophobicContact CD1-CE2 3.9Å
104	L	86.3	Confident	83.3	Confident	5 Å²	5	58 Å²	58	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.8	174.2	-58.6	174.7	0	0	0	108.8	H52 E54 V55 R113 V114	H52-L104 HydrophobicContact CB-CD1 3.94Å; H52-L104 VanDerWaalsContact CG-CD1 3.45Å; H52-L104 VanDerWaalsContact ND1-CD1 3.28Å; H52-L104 WeakPolarHBondContact ND1-CD1 3.46Å; E54-L104 HydrophobicContact CB-CD2 3.51Å; V55-L104 HydrophobicContact CG2-CD1 3.99Å; V55-L104 HydrophobicContact CG2-CD2 3.86Å; V55-L104 HydrophobicContact CG2-CG 3.92Å; L104-R113 WeakPolarHBondContact O-CA 3.23Å; L104-V114 HydrophobicContact CB-CB 4.06Å; L104-V114 HydrophobicContact CB-CG2 4.4Å; L104-V114 HydrophobicContact CD1-CB 3.99Å; L104-V114 HydrophobicContact CD1-CG2 3.78Å; L104-V114 HydrophobicContact CG-CB 4.19Å; L104-V114 HydrophobicContact CG-CG2 4.48Å; L104-V114 PolarHBondContact N-O 3.38Å; L104-V114 VanDerWaalsContact N-O 3.17Å; L104-V114 PolarHBondContact O-N 3.28Å
105	W	84.6	Confident	83.1	Confident	67 Å²	67	55.5 Å²	55.5	25%	0.254	29%	0.291	S	S	.	.			trans	-140.7	105.7	176.8	-174.4	-75.9	0	0	0	111.3	W87 Y102 R113	W87-W105 HydrophobicContact CH2-CB 3.87Å; W87-W105 HydrophobicContact CZ2-CB 3.99Å; Y102-W105 AromaticContact CD1-CE3 3.91Å; Y102-W105 HydrophobicContact CD1-CE3 3.91Å; Y102-W105 HydrophobicContact CD1-CZ3 4.05Å; Y102-W105 AromaticContact CD2-CE3 3.98Å; Y102-W105 HydrophobicContact CD2-CE3 3.98Å; Y102-W105 AromaticContact CD2-CZ3 3.89Å; Y102-W105 HydrophobicContact CD2-CZ3 3.89Å; Y102-W105 HydrophobicContact CE1-CE3 4.31Å; Y102-W105 AromaticContact CE1-CZ3 3.99Å; Y102-W105 HydrophobicContact CE1-CZ3 3.99Å; Y102-W105 HydrophobicContact CE2-CE3 4.4Å; Y102-W105 AromaticContact CE2-CZ3 3.85Å; Y102-W105 HydrophobicContact CE2-CZ3 3.85Å; Y102-W105 AromaticContact CG-CE3 3.73Å; Y102-W105 HydrophobicContact CG-CE3 3.73Å; Y102-W105 HydrophobicContact CG-CZ3 4.01Å; Y102-W105 AromaticContact CZ-CZ3 3.9Å; W105-R113 HydrophobicContact CE3-CG 4.48Å; W105-R113 VanDerWaalsContact CZ2-CZ 3.5Å
106	D	82.6	Confident	83.3	Confident	40 Å²	40	55.3 Å²	55.3	21%	0.214	29%	0.29	C	S	.	.			trans	-92.4	131.5	165.2	-173.5	-38.1	0	0	0	108.8	V108 D109 K112 R113	D106-V108 WeakPolarHBondContact OD1-CA 3.3Å; D106-V108 PolarHBondContact OD1-N 2.69Å; D106-D109 HydrophobicContact CB-CB 4.38Å; D106-D109 WeakPolarHBondContact CB-O 3.33Å; D106-D109 PolarHBondContact OD1-N 2.92Å; D106-K112 HydrophobicContact CB-CB 4.03Å; D106-K112 HydrophobicContact CB-CD 4.44Å; D106-K112 WeakPolarHBondContact OD2-CD 3.45Å; D106-K112 IonicContact OD2-NZ 2.86Å; D106-K112 PolarHBondContact OD2-NZ 3.4Å; D106-R113 VanDerWaalsContact O-CZ 3.27Å; D106-R113 PolarHBondContact O-NE 3.13Å; D106-R113 PolarHBondContact O-NH2 2.82Å
107	E	77.2	Confident	83.3	Confident	153 Å²	153	51.6 Å²	51.6	72%	0.715	27%	0.274	S	S	*	.	S	Bend	trans	-73.5	-29.5	-179.3	-60.7	-157.8	140.5	0	0	112.7	R113	E107-R113 PolarHBondContact O-NH2 3.08Å
108	V	76.7	Confident	83.5	Confident	138 Å²	138	49.5 Å²	49.5	84%	0.836	26%	0.261	S	S	*	.	S	Bend	trans	-95.1	-48.4	-175.8	-175	0	0	0	0	110.7	D106	D106-V108 WeakPolarHBondContact OD1-CA 3.3Å; D106-V108 PolarHBondContact OD1-N 2.69Å
109	D	76.7	Confident	83.6	Confident	58 Å²	58	49 Å²	49	31%	0.31	25%	0.251	S	S	.	.			trans	-101.7	99.4	-174.1	-167.2	-13.6	0	0	0	112.1	D106 S111 K112	D106-D109 HydrophobicContact CB-CB 4.38Å; D106-D109 WeakPolarHBondContact CB-O 3.33Å; D106-D109 PolarHBondContact OD1-N 2.92Å; D109-S111 VanDerWaalsContact CG-OG 3.3Å; D109-S111 PolarHBondContact O-N 3.41Å; D109-S111 VanDerWaalsContact OD1-CB 3.32Å; D109-S111 WeakPolarHBondContact OD1-CB 3.42Å; D109-S111 PolarHBondContact OD1-N 3.44Å; D109-S111 PolarHBondContact OD1-OG 3.17Å; D109-S111 PolarHBondContact OD2-OG 2.93Å; D109-K112 HydrophobicContact CB-CD 4.31Å; D109-K112 HydrophobicContact CB-CG 4.18Å; D109-K112 PolarHBondContact O-N 3.29Å; D109-K112 VanDerWaalsContact OD2-CE 3.25Å; D109-K112 WeakPolarHBondContact OD2-CE 3.49Å
110	V	76.1	Confident	83.4	Confident	80 Å²	80	49.3 Å²	49.3	49%	0.485	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-59.5	-28.2	177.5	-172.9	0	0	0	0	111.8	H26 K112 R113	H26-V110 PolarHBondContact NE2-O 3.36Å; V110-K112 VanDerWaalsContact C-N 3.29Å; V110-K112 PolarHBondContact O-N 2.95Å; V110-R113 WeakPolarHBondContact O-CB 3.21Å; V110-R113 PolarHBondContact O-N 3.14Å
111	S	73	Confident	82.6	Confident	93 Å²	93	47.1 Å²	47.1	65%	0.65	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-71.1	-21.1	-177	74.9	0	0	0	0	114.3	D109	D109-S111 VanDerWaalsContact CG-OG 3.3Å; D109-S111 PolarHBondContact O-N 3.41Å; D109-S111 VanDerWaalsContact OD1-CB 3.32Å; D109-S111 WeakPolarHBondContact OD1-CB 3.42Å; D109-S111 PolarHBondContact OD1-N 3.44Å; D109-S111 PolarHBondContact OD1-OG 3.17Å; D109-S111 PolarHBondContact OD2-OG 2.93Å
112	K	78.1	Confident	81.1	Confident	106 Å²	106	52 Å²	52	46%	0.461	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-86.7	-5	174.9	-59.3	-173.5	-152.3	146.9	0	113.8	D106 D109 V110 V114	D106-K112 HydrophobicContact CB-CB 4.03Å; D106-K112 HydrophobicContact CB-CD 4.44Å; D106-K112 WeakPolarHBondContact OD2-CD 3.45Å; D106-K112 IonicContact OD2-NZ 2.86Å; D106-K112 PolarHBondContact OD2-NZ 3.4Å; D109-K112 HydrophobicContact CB-CD 4.31Å; D109-K112 HydrophobicContact CB-CG 4.18Å; D109-K112 PolarHBondContact O-N 3.29Å; D109-K112 VanDerWaalsContact OD2-CE 3.25Å; D109-K112 WeakPolarHBondContact OD2-CE 3.49Å; V110-K112 VanDerWaalsContact C-N 3.29Å; V110-K112 PolarHBondContact O-N 2.95Å; K112-V114 PolarHBondContact O-N 2.82Å
113	R	84.6	Confident	79.3	Confident	39 Å²	39	53.8 Å²	53.8	15%	0.147	29%	0.286	C	S	.	.			trans	-71	132.5	177	-61.4	-176.5	-178.1	160.3	7.6	108.4	H26 Y102 L104 W105 D106 E107 V110	H26-R113 VanDerWaalsContact CE1-CB 3.45Å; H26-R113 WeakPolarHBondContact CE1-CB 3.45Å; H26-R113 PolarHBondContact CE1-O 3.25Å; H26-R113 PolarHBondContact ND1-O 3.32Å; Y102-R113 HydrophobicContact CD1-CB 4.41Å; L104-R113 WeakPolarHBondContact O-CA 3.23Å; W105-R113 HydrophobicContact CE3-CG 4.48Å; W105-R113 VanDerWaalsContact CZ2-CZ 3.5Å; D106-R113 VanDerWaalsContact O-CZ 3.27Å; D106-R113 PolarHBondContact O-NE 3.13Å; D106-R113 PolarHBondContact O-NH2 2.82Å; E107-R113 PolarHBondContact O-NH2 3.08Å; V110-R113 WeakPolarHBondContact O-CB 3.21Å; V110-R113 PolarHBondContact O-N 3.14Å
114	V	84.8	Confident	77.4	Confident	38 Å²	38	54.8 Å²	54.8	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.6	174.5	178.6	0	0	0	0	107.6	I50 Y102 L103 L104 K112	I50-V114 HydrophobicContact CD1-CG1 3.94Å; I50-V114 HydrophobicContact CG2-CG1 4.18Å; Y102-V114 CarbonylContact C-O 3.39Å; Y102-V114 VanDerWaalsContact CA-O 3.32Å; Y102-V114 WeakPolarHBondContact CA-O 3.32Å; L103-V114 PolarHBondContact N-O 3.43Å; L104-V114 HydrophobicContact CB-CB 4.06Å; L104-V114 HydrophobicContact CB-CG2 4.4Å; L104-V114 HydrophobicContact CD1-CB 3.99Å; L104-V114 HydrophobicContact CD1-CG2 3.78Å; L104-V114 HydrophobicContact CG-CB 4.19Å; L104-V114 HydrophobicContact CG-CG2 4.48Å; L104-V114 PolarHBondContact N-O 3.38Å; L104-V114 VanDerWaalsContact N-O 3.17Å; L104-V114 PolarHBondContact O-N 3.28Å; K112-V114 PolarHBondContact O-N 2.82Å
115	G	86.5	Confident	75.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	166	-174.2	0	0	0	0	0	111.8	V25 F101	V25-G115 WeakPolarHBondContact CG2-O 3.26Å; V25-G115 PolarHBondContact N-O 3.41Å; F101-G115 CarbonylContact O-C 3.55Å; F101-G115 WeakPolarHBondContact O-CA 3.29Å
116	F	89.5	Confident	73.4	Confident	6 Å²	6	66 Å²	66	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.2	-176.1	-59.9	-84.3	0	0	0	111.5	L22 L23 H31 I40 I48 I50 Y100 F101 L103	L22-F116 HydrophobicContact CB-CB 4.15Å; L22-F116 HydrophobicContact CB-CD1 3.92Å; L22-F116 HydrophobicContact CB-CG 4.23Å; L22-F116 HydrophobicContact CD2-CB 4.12Å; L23-F116 CarbonylContact O-C 3.53Å; L23-F116 WeakPolarHBondContact O-CA 3.44Å; H31-F116 AromaticContact CD2-CE1 3.96Å; I40-F116 HydrophobicContact CD1-CD2 4.48Å; I40-F116 HydrophobicContact CD1-CE2 4.43Å; I40-F116 HydrophobicContact CG2-CE2 4.25Å; I48-F116 HydrophobicContact CG2-CZ 3.89Å; I50-F116 HydrophobicContact CD1-CE2 3.67Å; I50-F116 HydrophobicContact CD1-CZ 3.77Å; Y100-F116 VanDerWaalsContact CA-O 3.32Å; Y100-F116 WeakPolarHBondContact CA-O 3.49Å; F101-F116 HydrophobicContact CE1-CB 3.97Å; F101-F116 HydrophobicContact CE2-CB 4.37Å; F101-F116 AromaticContact CE2-CD2 3.75Å; F101-F116 HydrophobicContact CE2-CD2 3.75Å; F101-F116 HydrophobicContact CZ-CB 3.84Å; F101-F116 AromaticContact CZ-CD2 3.81Å; F101-F116 HydrophobicContact CZ-CD2 3.81Å; F101-F116 HydrophobicContact CZ-CG 4.21Å; F101-F116 PolarHBondContact N-O 3.16Å; F101-F116 PolarHBondContact O-N 3.07Å; L103-F116 HydrophobicContact CD1-CD2 4.43Å; L103-F116 HydrophobicContact CD1-CE2 3.9Å
117	C	86.4	Confident	71.4	Confident	10 Å²	10	69.7 Å²	69.7	7%	0.068	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.7	165.2	-177.3	0	0	0	0	109.2	L22 L23 D99 Y100	L22-C117 WeakPolarHBondContact CA-O 3.42Å; L23-C117 HydrophobicContact CB-CB 4.4Å; L23-C117 PolarHBondContact N-O 2.84Å; L23-C117 PolarHBondContact O-N 3.48Å; D99-C117 WeakPolarHBondContact O-CA 3.2Å; Y100-C117 HydrophobicContact CD1-CB 3.71Å; Y100-C117 HydrophobicContact CE1-CB 3.5Å; Y100-C117 HydrophobicContact CG-CB 4.43Å
118	V	86.2	Confident	69.3	Low	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.6	-175.6	-162.7	0	0	0	0	110.6	A20 L22 L95 T97 G98 D99 F101 F120	A20-V118 HydrophobicContact CB-CG1 4.41Å; L22-V118 HydrophobicContact CD2-CB 4.02Å; L22-V118 HydrophobicContact CD2-CG1 3.85Å; L22-V118 HydrophobicContact CD2-CG2 3.46Å; L22-V118 VanDerWaalsContact CD2-CG2 3.46Å; L95-V118 HydrophobicContact CD1-CG2 3.76Å; T97-V118 CarbonylContact C-O 3.58Å; T97-V118 WeakPolarHBondContact CA-O 3.23Å; G98-V118 PolarHBondContact N-O 2.96Å; D99-V118 PolarHBondContact O-N 3.45Å; F101-V118 HydrophobicContact CD1-CG2 3.92Å; F101-V118 HydrophobicContact CE1-CG2 3.61Å; V118-F120 HydrophobicContact CB-CE1 4.47Å; V118-F120 HydrophobicContact CG1-CD1 4.08Å; V118-F120 HydrophobicContact CG1-CE1 3.57Å
119	L	80.8	Confident	67.3	Low	23 Å²	23	67.6 Å²	67.6	12%	0.12	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.5	178.5	-63	179.3	0	0	0	110.4	A20 R21 L23 T97 F124 L127	A20-L119 CarbonylContact C-O 3.16Å; A20-L119 WeakPolarHBondContact CA-O 3.5Å; A20-L119 WeakPolarHBondContact CB-O 3.41Å; R21-L119 PolarHBondContact N-O 3.23Å; R21-L119 PolarHBondContact O-N 3.18Å; L23-L119 HydrophobicContact CD1-CD1 3.49Å; L23-L119 VanDerWaalsContact CD1-CD1 3.49Å; L23-L119 HydrophobicContact CD1-CG 4.36Å; L23-L119 HydrophobicContact CG-CD1 4.21Å; T97-L119 HydrophobicContact CG2-CD2 3.73Å; L119-F124 HydrophobicContact CB-CD2 4.33Å; L119-F124 HydrophobicContact CB-CE2 3.35Å; L119-F124 HydrophobicContact CB-CZ 3.58Å; L119-F124 HydrophobicContact CD1-CE1 4.17Å; L119-F124 HydrophobicContact CD1-CE2 4.22Å; L119-F124 HydrophobicContact CD1-CZ 3.57Å; L119-F124 HydrophobicContact CG-CE2 4.45Å; L119-F124 HydrophobicContact CG-CZ 4.24Å; L119-L127 HydrophobicContact CD1-CD1 4.44Å
120	F	83.4	Confident	65.2	Low	38 Å²	38	69.9 Å²	69.9	17%	0.167	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	147.1	-179.6	-52.3	-23.5	0	0	0	111.8	W19 A20 I70 L95 T97 V118 D122 D123	W19-F120 WeakPolarHBondContact O-CA 3.41Å; A20-F120 HydrophobicContact CB-CD1 3.87Å; I70-F120 HydrophobicContact CB-CE1 4.25Å; I70-F120 HydrophobicContact CB-CZ 3.92Å; I70-F120 HydrophobicContact CD1-CD1 3.65Å; I70-F120 HydrophobicContact CD1-CD2 4.06Å; I70-F120 HydrophobicContact CD1-CE1 3.37Å; I70-F120 HydrophobicContact CD1-CE2 3.78Å; I70-F120 HydrophobicContact CD1-CG 4.01Å; I70-F120 HydrophobicContact CD1-CZ 3.44Å; I70-F120 VanDerWaalsContact CD1-CZ 3.44Å; I70-F120 HydrophobicContact CG1-CE1 4.37Å; I70-F120 HydrophobicContact CG1-CZ 4.28Å; I70-F120 HydrophobicContact CG2-CE1 4.23Å; I70-F120 HydrophobicContact CG2-CZ 4.28Å; L95-F120 HydrophobicContact CB-CZ 4.45Å; L95-F120 WeakPolarHBondContact O-CZ 3.43Å; T97-F120 VanDerWaalsContact OG1-CB 3.31Å; T97-F120 WeakPolarHBondContact OG1-CB 3.43Å; T97-F120 WeakPolarHBondContact OG1-CD2 3.48Å; T97-F120 VanDerWaalsContact OG1-CG 3.29Å; T97-F120 WeakPolarHBondContact OG1-CG 3.47Å; T97-F120 PolarHBondContact OG1-N 2.85Å; T97-F120 VanDerWaalsContact OG1-N 3.13Å; V118-F120 HydrophobicContact CB-CE1 4.47Å; V118-F120 HydrophobicContact CG1-CD1 4.08Å; V118-F120 HydrophobicContact CG1-CE1 3.57Å; F120-D122 PolarHBondContact O-N 2.99Å; F120-D123 PolarHBondContact O-N 2.74Å
121	V	71.3	Confident	63.1	Low	55 Å²	55	70.1 Å²	70.1	33%	0.333	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21	-170.1	168	0	0	0	0	114.1	K18 W19 D123 F124	K18-V121 HydrophobicContact CB-CG2 4.4Å; K18-V121 WeakPolarHBondContact O-CB 3.44Å; K18-V121 WeakPolarHBondContact O-CG1 3.49Å; K18-V121 WeakPolarHBondContact O-CG2 3.22Å; W19-V121 PolarHBondContact O-N 3.33Å; V121-D123 VanDerWaalsContact C-N 3.28Å; V121-D123 PolarHBondContact O-N 2.88Å; V121-F124 HydrophobicContact CG2-CD2 4.31Å; V121-F124 PolarHBondContact O-N 3.42Å
122	D	59.7	Low	61	Low	101 Å²	101	74.6 Å²	74.6	54%	0.54	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.6	169.8	-83.6	-41	0	0	0	113.1	F120 K206	F120-D122 PolarHBondContact O-N 2.99Å; D122-K206 IonicContact OD1-NZ 2.68Å; D122-K206 PolarHBondContact OD1-NZ 2.81Å; D122-K206 WeakPolarHBondContact OD2-CE 3.24Å; D122-K206 IonicContact OD2-NZ 3.96Å; D122-K206 PolarHBondContact OD2-NZ 3.36Å
123	D	51.6	Low	58.8	Low	77 Å²	77	74.5 Å²	74.5	41%	0.412	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-18	-179.1	-65.8	-56.8	0	0	0	113.1	T97 F120 V121 K125 L126	T97-D123 WeakPolarHBondContact CB-OD2 3.02Å; T97-D123 HydrophobicContact CG2-CB 3.94Å; T97-D123 VanDerWaalsContact CG2-OD2 3.32Å; T97-D123 WeakPolarHBondContact CG2-OD2 3.49Å; T97-D123 PolarHBondContact OG1-OD2 3.4Å; F120-D123 PolarHBondContact O-N 2.74Å; V121-D123 VanDerWaalsContact C-N 3.28Å; V121-D123 PolarHBondContact O-N 2.88Å; D123-K125 PolarHBondContact O-N 3.07Å; D123-L126 PolarHBondContact O-N 3.06Å; D123-L126 VanDerWaalsContact O-N 3.13Å
124	F	49.2	Very low	56.3	Low	24 Å²	24	77.8 Å²	77.8	11%	0.105	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-62.8	-17.2	-177.3	-95	-76.3	0	0	0	115.1	R21 L119 V121 L126 L127 A128	R21-F124 HydrophobicContact CB-CE2 3.76Å; R21-F124 HydrophobicContact CB-CZ 3.7Å; R21-F124 HydrophobicContact CG-CD2 4.3Å; R21-F124 HydrophobicContact CG-CE1 4.45Å; R21-F124 HydrophobicContact CG-CE2 3.47Å; R21-F124 VanDerWaalsContact CG-CE2 3.47Å; R21-F124 HydrophobicContact CG-CZ 3.59Å; L119-F124 HydrophobicContact CB-CD2 4.33Å; L119-F124 HydrophobicContact CB-CE2 3.35Å; L119-F124 HydrophobicContact CB-CZ 3.58Å; L119-F124 HydrophobicContact CD1-CE1 4.17Å; L119-F124 HydrophobicContact CD1-CE2 4.22Å; L119-F124 HydrophobicContact CD1-CZ 3.57Å; L119-F124 HydrophobicContact CG-CE2 4.45Å; L119-F124 HydrophobicContact CG-CZ 4.24Å; V121-F124 HydrophobicContact CG2-CD2 4.31Å; V121-F124 PolarHBondContact O-N 3.42Å; F124-L126 PolarHBondContact O-N 2.83Å; F124-L126 VanDerWaalsContact O-N 3.12Å; F124-L127 PolarHBondContact O-N 3.49Å; F124-L127 VanDerWaalsContact O-N 3.11Å; F124-A128 PolarHBondContact O-N 2.95Å
125	K	45.1	Very low	53.7	Low	185 Å²	185	84 Å²	84	80%	0.804	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-64.7	-9.7	174.1	-79.8	177.3	178.2	164.4	0	114.3	D123	D123-K125 PolarHBondContact O-N 3.07Å
126	L	41.2	Very low	51.1	Low	122 Å²	122	91.3 Å²	91.3	64%	0.639	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-95.8	-10	173.6	-73.6	167.3	0	0	0	114.5	D123 F124 N362	D123-L126 PolarHBondContact O-N 3.06Å; D123-L126 VanDerWaalsContact O-N 3.13Å; F124-L126 PolarHBondContact O-N 2.83Å; F124-L126 VanDerWaalsContact O-N 3.12Å; L126-N362 WeakPolarHBondContact CD1-ND2 3.18Å
127	L	40.7	Very low	48.1	Very low	117 Å²	117	98.6 Å²	98.6	61%	0.613	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-15.9	-175.2	-69.5	171.9	0	0	0	114.8	L119 F124 L129	L119-L127 HydrophobicContact CD1-CD1 4.44Å; F124-L127 PolarHBondContact O-N 3.49Å; F124-L127 VanDerWaalsContact O-N 3.11Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L127-L129 PolarHBondContact O-N 3.17Å
128	A	34.6	Very low	45.4	Very low	70 Å²	70	102.6 Å²	102.6	58%	0.579	56%	0.563	S	S	*	*			trans	-89.1	31.1	-171.5	0	0	0	0	0	115.8	F124 S130	F124-A128 PolarHBondContact O-N 2.95Å; A128-S130 PolarHBondContact O-N 3.37Å
129	L	33.2	Very low	42.6	Very low	178 Å²	178	108.2 Å²	108.2	93%	0.932	60%	0.597	S	S	*	*			trans	-87.7	47	173.1	-78.7	172.9	0	0	0	112.4	L127	L127-L129 VanDerWaalsContact C-N 3.35Å; L127-L129 PolarHBondContact O-N 3.17Å
130	S	32.9	Very low	40.2	Very low	106 Å²	106	110.3 Å²	110.3	74%	0.741	63%	0.625	S	S	*	*	S	Bend	trans	-167.1	125.2	171.6	42	0	0	0	0	111.6	A128	A128-S130 PolarHBondContact O-N 3.37Å
131	G	32	Very low	37.5	Very low	85 Å²	85	116.7 Å²	116.7	88%	0.876	66%	0.66	S	S	*	*			trans	101.6	109	168.6	0	0	0	0	0	116
132	E	29.7	Very low	35.4	Very low	187 Å²	187	119.2 Å²	119.2	87%	0.874	68%	0.677	S	S	*	*			trans	-94.2	158	168.6	-77.5	175.3	113.2	0	0	112
133	S	32.3	Very low	33.8	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	70%	0.695	S	S	*	*			trans	70.8	150.2	157.6	-59	0	0	0	0	117.3
134	D	31.3	Very low	32.7	Very low	108 Å²	108	127.7 Å²	127.7	58%	0.578	72%	0.716	S	S	*	*			cis	-162.2	151.1	-0.9	-127.2	-25.3	0	0	0	110.2
135	K	30.2	Very low	31.9	Very low	169 Å²	169	131.9 Å²	131.9	74%	0.735	75%	0.746	S	S	*	*			trans	40.8	142.9	149.9	-54.1	146.1	-174.4	150.1	0	119.7
136	I	31.8	Very low	31.2	Very low	153 Å²	153	129 Å²	129	79%	0.785	75%	0.749	S	S	*	*				-173.6	126.4	58.4	-67.3	175.9	0	0	0	105
137	K	27.1	Very low	30.6	Very low	158 Å²	158	128.7 Å²	128.7	69%	0.687	76%	0.757	S	S	*	*				49.6	139.3	100.4	-84.7	-172.3	175.5	-149.3	0	116.3	E13	E13-K137 WeakPolarHBondContact OE2-CE 3.47Å; E13-K137 IonicContact OE2-NZ 2.69Å; E13-K137 PolarHBondContact OE2-NZ 2.83Å; E13-K137 VanDerWaalsContact OE2-NZ 3.08Å
138	T	28.7	Very low	30.2	Very low	94 Å²	94	128.5 Å²	128.5	58%	0.577	76%	0.763	S	S	*	*			cis	-173.5	147.1	26.8	-112.6	0	0	0	0	114.2
139	T	28.6	Very low	30.1	Very low	118 Å²	118	135 Å²	135	72%	0.724	78%	0.778	S	S	*	*			trans	53.9	141.8	152.8	60.6	0	0	0	0	127.4
140	G	29.1	Very low	29.9	Very low	68 Å²	68	135.2 Å²	135.2	70%	0.701	77%	0.772	S	S	*	*			trans	139.7	59.5	140	0	0	0	0	0	119.2
141	L	27.7	Very low	30	Very low	171 Å²	171	139.2 Å²	139.2	90%	0.895	78%	0.781	S	S	*	*				67.9	148	109.2	-94	112	0	0	0	120.8
142	P	26.9	Very low	30	Very low	108 Å²	108	144 Å²	144	70%	0.701	78%	0.777	S	S	*	*			trans	-129.6	-178.8	-150.7	43.8	-27.6	0	0	0	116.8
143	L	27	Very low	30	Very low	176 Å²	176	140.6 Å²	140.6	92%	0.921	77%	0.772	S	S	*	*			trans	-137.4	131.5	166.3	-72.9	170	0	0	0	112.6
144	Q	28.1	Very low	30.2	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	78%	0.775	S	S	*	*			trans	-120.5	-164	157.7	-55.5	-170.5	-17.8	0	0	107.4
145	P	32	Very low	30.3	Very low	113 Å²	113	141.3 Å²	141.3	73%	0.734	78%	0.781	S	S	*	*			cis	-129.4	176.2	-27.9	23	-1.1	0	0	0	112.8
146	S	30.7	Very low	30.9	Very low	125 Å²	125	138.3 Å²	138.3	87%	0.874	78%	0.781	S	S	*	*			trans	-168.8	133.2	137.2	58.4	0	0	0	0	113.1
147	S	28.6	Very low	31.9	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	77%	0.772	S	S	*	*			trans	-121.7	165.3	172.3	56	0	0	0	0	110.7
148	P	31.1	Very low	33.5	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	77%	0.765	S	S	*	*			trans	-147.6	130.7	143.4	29.5	-9.3	0	0	0	118.2
149	K	33.7	Very low	35.6	Very low	207 Å²	207	131.7 Å²	131.7	90%	0.9	75%	0.751	S	S	*	*			trans	88.2	151.9	130.9	-67.1	174.2	-177	177	0	121.4
150	F	28.8	Very low	37.9	Very low	181 Å²	181	129 Å²	129	79%	0.794	73%	0.734	S	S	*	*			trans	-122.4	157.2	-154.5	-124.6	-93.8	0	0	0	111	K152	F150-K152 HydrophobicContact CD1-CG 4.36Å; F150-K152 HydrophobicContact CE1-CG 4.33Å
151	M	34.1	Very low	40	Very low	191 Å²	191	129 Å²	129	94%	0.941	72%	0.719	S	S	*	*			trans	-138.4	144	151.5	-79.3	-171.6	138.8	0	0	110
152	K	32.4	Very low	42.7	Very low	184 Å²	184	123.8 Å²	123.8	80%	0.8	69%	0.691	S	S	*	*			trans	-125.6	149.3	175.6	-93.2	-169.7	173.3	-169.7	0	109.4	F150	F150-K152 HydrophobicContact CD1-CG 4.36Å; F150-K152 HydrophobicContact CE1-CG 4.33Å
153	P	30.9	Very low	45.5	Very low	116 Å²	116	121.1 Å²	121.1	75%	0.753	67%	0.669	S	S	*	*			trans	-142.3	145.6	145.4	34.9	-18.7	0	0	0	116.6
154	S	36.5	Very low	48.1	Very low	115 Å²	115	113.5 Å²	113.5	80%	0.804	63%	0.63	S	S	*	*			trans	59.7	124.5	147.2	56.7	0	0	0	0	122.1
155	T	32.1	Very low	50.8	Low	113 Å²	113	108.4 Å²	108.4	69%	0.693	61%	0.613	S	S	*	*			trans	-91.2	125.4	179.3	48.1	0	0	0	0	113.9
156	S	43.5	Very low	53.6	Low	105 Å²	105	103.2 Å²	103.2	73%	0.734	58%	0.579	S	S	*	*	S	Bend	trans	-167	-34.2	150.7	58.3	0	0	0	0	113.1
157	N	51.7	Low	56.5	Low	111 Å²	111	98.7 Å²	98.7	59%	0.594	55%	0.546	S	S	*	.	S	Bend	trans	-84.1	-19.9	171.6	-72.3	-35.8	0	0	0	113.4	D159 T160 D161	N157-D159 PolarHBondContact O-N 3.2Å; N157-T160 PolarHBondContact O-N 3.39Å; N157-D161 PolarHBondContact O-N 3.26Å
158	D	60.6	Low	59.6	Low	103 Å²	103	93.2 Å²	93.2	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-57.9	-42.2	-166.6	-143.6	16.8	0	0	0	113.2	T160 D161 L162	D158-T160 PolarHBondContact O-N 2.93Å; D158-D161 PolarHBondContact O-N 3.24Å; D158-L162 WeakPolarHBondContact O-CB 3.18Å; D158-L162 PolarHBondContact O-N 3.32Å
159	D	73.7	Confident	62.3	Low	53 Å²	53	91.2 Å²	91.2	28%	0.283	49%	0.494	S	S	.	.	H	α-helix	trans	-71	-26.8	-177.5	-67.5	-46.9	0	0	0	112.9	N157 E163 K227	N157-D159 PolarHBondContact O-N 3.2Å; D159-E163 WeakPolarHBondContact O-CB 3.37Å; D159-E163 PolarHBondContact O-N 2.95Å; D159-K227 IonicContact OD1-NZ 2.88Å; D159-K227 PolarHBondContact OD1-NZ 3.44Å
160	T	76.2	Confident	64.9	Low	60 Å²	60	84.3 Å²	84.3	37%	0.368	47%	0.466	S	S	.	.	H	α-helix	trans	-73.9	-37.8	174.8	-58.8	0	0	0	0	111.6	N157 D158 E163 N164	N157-T160 PolarHBondContact O-N 3.39Å; D158-T160 PolarHBondContact O-N 2.93Å; T160-E163 WeakPolarHBondContact O-CB 3.25Å; T160-E163 PolarHBondContact O-N 3.08Å; T160-N164 PolarHBondContact O-N 3.22Å; T160-N164 VanDerWaalsContact O-N 3.07Å; T160-N164 PolarHBondContact O-ND2 3.11Å
161	D	74.6	Confident	67.8	Low	70 Å²	70	78.2 Å²	78.2	37%	0.374	45%	0.445	S	S	.	.	H	α-helix	trans	-75.3	-34.2	177.8	-70.4	-31.5	0	0	0	111.3	N157 D158 N164 C165	N157-D161 PolarHBondContact O-N 3.26Å; D158-D161 PolarHBondContact O-N 3.24Å; D161-N164 PolarHBondContact O-N 2.78Å; D161-C165 PolarHBondContact O-N 3.49Å; D161-C165 VanDerWaalsContact O-N 3.13Å; D161-C165 PolarHBondContact O-SG 3.21Å
162	L	83	Confident	70.3	Confident	60 Å²	60	71.6 Å²	71.6	31%	0.314	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-44.9	167.5	-177.4	59.3	0	0	0	111.9	D158 N164 C165 L166 F224	D158-L162 WeakPolarHBondContact O-CB 3.18Å; D158-L162 PolarHBondContact O-N 3.32Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-N164 PolarHBondContact O-N 3.03Å; L162-C165 PolarHBondContact O-N 3.5Å; L162-L166 HydrophobicContact CD1-CD1 3.91Å; L162-L166 HydrophobicContact CD1-CG 4.3Å; L162-L166 HydrophobicContact CG-CD1 4.01Å; L162-L166 WeakPolarHBondContact O-CG 3.47Å; L162-L166 PolarHBondContact O-N 3.39Å; L162-L166 VanDerWaalsContact O-N 3.14Å; L162-F224 HydrophobicContact CD2-CD2 3.87Å; L162-F224 HydrophobicContact CG-CD2 3.91Å; L162-F224 HydrophobicContact CG-CE2 4.42Å
163	E	86.4	Confident	73	Confident	52 Å²	52	66.4 Å²	66.4	24%	0.243	41%	0.407	C	S	.	.	H	α-helix	trans	-54	-51.5	174.3	-172.4	174.7	-165.9	0	0	111	D159 T160 C165 L166 T167 I174 F224 K231	D159-E163 WeakPolarHBondContact O-CB 3.37Å; D159-E163 PolarHBondContact O-N 2.95Å; T160-E163 WeakPolarHBondContact O-CB 3.25Å; T160-E163 PolarHBondContact O-N 3.08Å; E163-C165 VanDerWaalsContact C-N 3.31Å; E163-C165 PolarHBondContact O-N 3.35Å; E163-L166 CarbonylContact O-C 3.6Å; E163-L166 WeakPolarHBondContact O-CA 3.28Å; E163-L166 PolarHBondContact O-N 3.43Å; E163-T167 WeakPolarHBondContact O-CG2 3.29Å; E163-T167 PolarHBondContact O-N 3.31Å; E163-T167 VanDerWaalsContact O-N 3.16Å; E163-I174 HydrophobicContact CG-CD1 3.74Å; E163-F224 HydrophobicContact CB-CE1 4.38Å; E163-F224 HydrophobicContact CB-CE2 3.95Å; E163-F224 HydrophobicContact CB-CZ 3.53Å; E163-F224 HydrophobicContact CG-CE1 4.13Å; E163-F224 HydrophobicContact CG-CZ 3.67Å; E163-K231 WeakPolarHBondContact OE1-CD 3.35Å; E163-K231 WeakPolarHBondContact OE1-CE 3.27Å; E163-K231 IonicContact OE1-NZ 2.67Å; E163-K231 PolarHBondContact OE1-NZ 3.41Å; E163-K231 IonicContact OE2-NZ 3.12Å; E163-K231 PolarHBondContact OE2-NZ 2.94Å
164	N	82	Confident	75.9	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-56.1	-44.5	179.8	-68.3	-40.4	0	0	0	112.1	T160 D161 L162 L166 T167 N523	T160-N164 PolarHBondContact O-N 3.22Å; T160-N164 VanDerWaalsContact O-N 3.07Å; T160-N164 PolarHBondContact O-ND2 3.11Å; D161-N164 PolarHBondContact O-N 2.78Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-N164 PolarHBondContact O-N 3.03Å; N164-L166 PolarHBondContact O-N 3.27Å; N164-T167 PolarHBondContact O-N 3.27Å; N164-T167 PolarHBondContact O-OG1 3.36Å; N164-N523 WeakPolarHBondContact OD1-CB 3.34Å; N164-N523 PolarHBondContact OD1-ND2 3.45Å
165	C	85.1	Confident	78.6	Confident	73 Å²	73	57.4 Å²	57.4	49%	0.493	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-21.5	177.3	-68.8	0	0	0	0	113.6	D161 L162 E163	D161-C165 PolarHBondContact O-N 3.49Å; D161-C165 VanDerWaalsContact O-N 3.13Å; D161-C165 PolarHBondContact O-SG 3.21Å; L162-C165 PolarHBondContact O-N 3.5Å; E163-C165 VanDerWaalsContact C-N 3.31Å; E163-C165 PolarHBondContact O-N 3.35Å
166	L	90.7	Very high	81.4	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	7.1	179.6	-61.1	176	0	0	0	113.6	L162 E163 N164 I174 Y175 L217 L220 V221 F224	L162-L166 HydrophobicContact CD1-CD1 3.91Å; L162-L166 HydrophobicContact CD1-CG 4.3Å; L162-L166 HydrophobicContact CG-CD1 4.01Å; L162-L166 WeakPolarHBondContact O-CG 3.47Å; L162-L166 PolarHBondContact O-N 3.39Å; L162-L166 VanDerWaalsContact O-N 3.14Å; E163-L166 CarbonylContact O-C 3.6Å; E163-L166 WeakPolarHBondContact O-CA 3.28Å; E163-L166 PolarHBondContact O-N 3.43Å; N164-L166 PolarHBondContact O-N 3.27Å; L166-I174 HydrophobicContact CB-CD1 4.45Å; L166-I174 HydrophobicContact CB-CG2 4.49Å; L166-I174 CarbonylContact O-C 3.57Å; L166-I174 VanDerWaalsContact O-CA 3.3Å; L166-I174 WeakPolarHBondContact O-CA 3.33Å; L166-Y175 VanDerWaalsContact C-CD2 3.42Å; L166-Y175 WeakPolarHBondContact O-CD2 3.47Å; L166-Y175 PolarHBondContact O-N 3.05Å; L166-L217 HydrophobicContact CD2-CD2 4.44Å; L166-L220 HydrophobicContact CD2-CB 3.84Å; L166-V221 HydrophobicContact CB-CG2 4.42Å; L166-V221 HydrophobicContact CD2-CG2 4.17Å; L166-F224 HydrophobicContact CD1-CB 3.48Å; L166-F224 VanDerWaalsContact CD1-CB 3.48Å; L166-F224 HydrophobicContact CD1-CD1 4.38Å; L166-F224 HydrophobicContact CD1-CD2 4.14Å; L166-F224 HydrophobicContact CD1-CG 3.76Å
167	T	91.8	Very high	83.6	Confident	30 Å²	30	50.6 Å²	50.6	18%	0.184	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-89.1	144	172.6	58.4	0	0	0	0	113.5	E163 N164 G172 D173 I174 Y175	E163-T167 WeakPolarHBondContact O-CG2 3.29Å; E163-T167 PolarHBondContact O-N 3.31Å; E163-T167 VanDerWaalsContact O-N 3.16Å; N164-T167 PolarHBondContact O-N 3.27Å; N164-T167 PolarHBondContact O-OG1 3.36Å; T167-G172 WeakPolarHBondContact CB-O 3.43Å; T167-G172 VanDerWaalsContact CG2-O 3.25Å; T167-G172 WeakPolarHBondContact CG2-O 3.08Å; T167-D173 CarbonylContact C-O 3.54Å; T167-D173 WeakPolarHBondContact CA-O 3.18Å; T167-I174 HydrophobicContact CG2-CD1 3.94Å; T167-Y175 VanDerWaalsContact O-CE2 3.32Å; T167-Y175 WeakPolarHBondContact O-CE2 3.35Å; T167-Y175 PolarHBondContact O-OH 3.19Å; T167-Y175 VanDerWaalsContact O-OH 3.06Å
168	C	91.8	Very high	85.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.261	C	S	.	.			trans	-88.1	123	176.5	175.7	0	0	0	0	111.7	I170 C171 G172 D173 Y175 C189	C168-I170 PolarHBondContact O-N 3.05Å; C168-C171 VanDerWaalsContact CB-SG 3.58Å; C168-C171 PolarHBondContact O-N 3.29Å; C168-G172 WeakPolarHBondContact O-CA 3.42Å; C168-G172 PolarHBondContact O-N 3.1Å; C168-D173 PolarHBondContact N-O 3.47Å; C168-Y175 VanDerWaalsContact CA-CE1 3.48Å; C168-Y175 HydrophobicContact CB-CD1 3.58Å; C168-Y175 HydrophobicContact CB-CE1 3.58Å; C168-Y175 HydrophobicContact CB-CG 4.39Å; C168-C189 WeakPolarHBondContact CB-SG 3.43Å; C168-C189 PolarHBondContact SG-N 2.96Å; C168-C189 VanDerWaalsContact SG-N 3.37Å; C168-C189 VanDerWaalsContact SG-SG 3.65Å
169	V	88.4	Confident	87.1	Confident	72 Å²	72	40.4 Å²	40.4	44%	0.436	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.9	-178.4	179.5	0	0	0	0	114.5	M203	V169-M203 HydrophobicContact CB-CE 3.97Å; V169-M203 HydrophobicContact CG1-CE 4.46Å; V169-M203 HydrophobicContact CG2-CE 3.58Å
170	I	87.6	Confident	88.1	Confident	62 Å²	62	38.4 Å²	38.4	32%	0.318	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-43.5	178.2	-59.3	169.3	0	0	0	112.6	C168 F188 C192 P202	C168-I170 PolarHBondContact O-N 3.05Å; I170-F188 HydrophobicContact CD1-CB 4.05Å; I170-F188 HydrophobicContact CD1-CD1 3.35Å; I170-F188 HydrophobicContact CD1-CE1 3.92Å; I170-F188 HydrophobicContact CD1-CG 3.74Å; I170-F188 HydrophobicContact CG1-CD1 3.71Å; I170-F188 HydrophobicContact CG1-CE1 4.07Å; I170-C192 HydrophobicContact CB-CB 3.85Å; I170-C192 HydrophobicContact CD1-CB 3.77Å; I170-C192 HydrophobicContact CG1-CB 4.41Å; I170-C192 HydrophobicContact CG2-CB 3.78Å; I170-P202 HydrophobicContact CD1-CB 4.21Å; I170-P202 HydrophobicContact CD1-CG 4.01Å; I170-P202 HydrophobicContact CG1-CB 4.34Å
171	C	90.3	Very high	88.8	Confident	53 Å²	53	35.6 Å²	35.6	36%	0.358	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-16.6	-176.9	54.2	0	0	0	0	114.5	C168 D173	C168-C171 VanDerWaalsContact CB-SG 3.58Å; C168-C171 PolarHBondContact O-N 3.29Å; C171-D173 PolarHBondContact O-N 3.38Å
172	G	87.3	Confident	89.4	Confident	51 Å²	51	36.3 Å²	36.3	53%	0.526	21%	0.209	S	C	.	.	S	Bend	trans	81.2	-28.8	-173	0	0	0	0	0	114	T167 C168	T167-G172 WeakPolarHBondContact CB-O 3.43Å; T167-G172 VanDerWaalsContact CG2-O 3.25Å; T167-G172 WeakPolarHBondContact CG2-O 3.08Å; C168-G172 WeakPolarHBondContact O-CA 3.42Å; C168-G172 PolarHBondContact O-N 3.1Å
173	D	89.7	Confident	89.7	Confident	76 Å²	76	36.3 Å²	36.3	41%	0.406	21%	0.213	S	C	.	.	S	Bend	trans	-63.7	162.2	175.3	-59.6	-10.8	0	0	0	113.8	T167 C168 C171 K233	T167-D173 CarbonylContact C-O 3.54Å; T167-D173 WeakPolarHBondContact CA-O 3.18Å; C168-D173 PolarHBondContact N-O 3.47Å; C171-D173 PolarHBondContact O-N 3.38Å; D173-K233 WeakPolarHBondContact OD2-CE 3.34Å; D173-K233 IonicContact OD2-NZ 2.76Å; D173-K233 PolarHBondContact OD2-NZ 2.95Å
174	I	91	Very high	89.9	Confident	19 Å²	19	35 Å²	35	10%	0.097	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-54.2	139.7	164.6	-54	-61.7	0	0	0	110.6	E163 L166 T167 F176 V221 F224 L225	E163-I174 HydrophobicContact CG-CD1 3.74Å; L166-I174 HydrophobicContact CB-CD1 4.45Å; L166-I174 HydrophobicContact CB-CG2 4.49Å; L166-I174 CarbonylContact O-C 3.57Å; L166-I174 VanDerWaalsContact O-CA 3.3Å; L166-I174 WeakPolarHBondContact O-CA 3.33Å; T167-I174 HydrophobicContact CG2-CD1 3.94Å; I174-F176 PolarHBondContact O-N 3.19Å; I174-V221 HydrophobicContact CG2-CG1 3.84Å; I174-V221 HydrophobicContact CG2-CG2 4.1Å; I174-F224 HydrophobicContact CD1-CD1 4.28Å; I174-F224 HydrophobicContact CD1-CE1 3.8Å; I174-F224 HydrophobicContact CG1-CE1 4.26Å; I174-L225 HydrophobicContact CG2-CD2 4.43Å
175	Y	92.6	Very high	90.4	Very high	22 Å²	22	39.8 Å²	39.8	9%	0.086	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-54.6	128.5	-178	-70.9	-72.1	0	0	0	112.1	L166 T167 C168 C178 S187 V221	L166-Y175 VanDerWaalsContact C-CD2 3.42Å; L166-Y175 WeakPolarHBondContact O-CD2 3.47Å; L166-Y175 PolarHBondContact O-N 3.05Å; T167-Y175 VanDerWaalsContact O-CE2 3.32Å; T167-Y175 WeakPolarHBondContact O-CE2 3.35Å; T167-Y175 PolarHBondContact O-OH 3.19Å; T167-Y175 VanDerWaalsContact O-OH 3.06Å; C168-Y175 VanDerWaalsContact CA-CE1 3.48Å; C168-Y175 HydrophobicContact CB-CD1 3.58Å; C168-Y175 HydrophobicContact CB-CE1 3.58Å; C168-Y175 HydrophobicContact CB-CG 4.39Å; Y175-C178 HydrophobicContact CD1-CB 4.39Å; Y175-C178 HydrophobicContact CG-CB 4.24Å; Y175-S187 WeakPolarHBondContact CE1-O 3.41Å; Y175-S187 PolarHBondContact OH-O 3.26Å; Y175-V221 WeakPolarHBondContact O-CG1 3.33Å
176	F	91.7	Very high	90.7	Very high	30 Å²	30	39.2 Å²	39.2	13%	0.132	22%	0.224	C	C	.	.	S	Bend	trans	-117.1	123.5	170.4	-171.3	-89.7	0	0	0	110.3	I174 C189 K233 Q238 I241 K242	I174-F176 PolarHBondContact O-N 3.19Å; F176-C189 PolarHBondContact N-SG 3.27Å; F176-C189 WeakPolarHBondContact O-CA 2.94Å; F176-C189 WeakPolarHBondContact O-CB 3.47Å; F176-K233 HydrophobicContact CD2-CD 4.38Å; F176-Q238 HydrophobicContact CE2-CB 3.96Å; F176-Q238 HydrophobicContact CE2-CG 3.58Å; F176-Q238 HydrophobicContact CZ-CB 3.77Å; F176-Q238 HydrophobicContact CZ-CG 3.95Å; F176-I241 HydrophobicContact CD1-CB 4.19Å; F176-I241 HydrophobicContact CD1-CD1 4.42Å; F176-I241 HydrophobicContact CD1-CG2 3.39Å; F176-I241 HydrophobicContact CE1-CB 3.93Å; F176-I241 HydrophobicContact CE1-CG2 3.47Å; F176-I241 VanDerWaalsContact CE1-CG2 3.47Å; F176-I241 HydrophobicContact CG-CG2 4.46Å; F176-K242 HydrophobicContact CE1-CG 4.16Å; F176-K242 HydrophobicContact CZ-CG 4.28Å
177	E	89.8	Confident	90.8	Very high	45 Å²	45	39.7 Å²	39.7	21%	0.21	23%	0.228	C	C	.	.	S	Bend	trans	42.2	69.1	-165.1	-67.3	-151.8	96.9	0	0	111.5	C179 T190 K213 N218 I245	E177-C179 PolarHBondContact O-N 2.9Å; E177-T190 VanDerWaalsContact O-CB 3.22Å; E177-T190 WeakPolarHBondContact O-CB 3.41Å; E177-T190 PolarHBondContact O-N 3.25Å; E177-T190 PolarHBondContact O-OG1 3.29Å; E177-K213 IonicContact OE1-NZ 2.59Å; E177-K213 PolarHBondContact OE1-NZ 2.94Å; E177-N218 WeakPolarHBondContact CA-OD1 3.49Å; E177-I245 HydrophobicContact CB-CD1 4.35Å; E177-I245 WeakPolarHBondContact OE2-CD1 3.31Å
178	C	92.5	Very high	90.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	133.4	-177.5	-164.2	0	0	0	0	111.8	Y175 F188 N214 L217 N218	Y175-C178 HydrophobicContact CD1-CB 4.39Å; Y175-C178 HydrophobicContact CG-CB 4.24Å; C178-F188 CarbonylContact C-O 3.54Å; C178-F188 WeakPolarHBondContact CA-O 3.41Å; C178-N214 HydrophobicContact CB-CB 4.49Å; C178-N214 PolarHBondContact O-N 3.45Å; C178-L217 HydrophobicContact CB-CB 4.12Å; C178-L217 VanDerWaalsContact SG-CD1 3.57Å; C178-N218 PolarHBondContact N-ND2 2.64Å; C178-N218 PolarHBondContact N-OD1 2.9Å; C178-N218 PolarHBondContact O-ND2 3.25Å
179	C	93.2	Very high	91	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.4	171.2	69.8	0	0	0	0	111.5	E177 S187 F188 T190 Y211 A212	E177-C179 PolarHBondContact O-N 2.9Å; C179-S187 CarbonylContact O-C 3.46Å; C179-S187 VanDerWaalsContact O-CA 3.31Å; C179-S187 WeakPolarHBondContact O-CA 3.44Å; C179-F188 PolarHBondContact N-O 2.93Å; C179-F188 PolarHBondContact O-N 2.76Å; C179-F188 PolarHBondContact SG-O 2.81Å; C179-T190 WeakPolarHBondContact CB-OG1 3.39Å; C179-Y211 HydrophobicContact CB-CD2 4.03Å; C179-A212 CarbonylContact C-O 3.56Å; C179-A212 WeakPolarHBondContact CA-O 3.44Å; C179-A212 VanDerWaalsContact CB-O 3.27Å; C179-A212 WeakPolarHBondContact CB-O 3.49Å
180	S	93.6	Very high	91.2	Very high	12 Å²	12	35.3 Å²	35.3	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.9	173.7	-55.4	0	0	0	0	110.4	L185 H186 S187 Y211 A212 N214	S180-L185 WeakPolarHBondContact CB-O 3.42Å; S180-H186 WeakPolarHBondContact CA-O 3.41Å; S180-S187 PolarHBondContact OG-OG 3.32Å; S180-Y211 VanDerWaalsContact O-CA 3.29Å; S180-Y211 WeakPolarHBondContact O-CA 3.48Å; S180-A212 PolarHBondContact N-O 2.83Å; S180-A212 PolarHBondContact O-N 3.4Å; S180-N214 WeakPolarHBondContact OG-CB 3.44Å; S180-N214 PolarHBondContact OG-ND2 2.88Å
181	V	91.6	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.5	177.9	-62.3	0	0	0	0	111.3	L185 H186 F188 W193 C201 V208	V181-L185 VanDerWaalsContact O-CA 3.26Å; V181-L185 WeakPolarHBondContact O-CA 3.29Å; V181-L185 PolarHBondContact O-N 2.94Å; V181-H186 HydrophobicContact CG2-CB 4.31Å; V181-H186 WeakPolarHBondContact CG2-O 3.31Å; V181-H186 PolarHBondContact N-O 2.8Å; V181-F188 HydrophobicContact CG1-CD2 4.09Å; V181-F188 HydrophobicContact CG1-CE2 4.2Å; V181-F188 HydrophobicContact CG2-CD2 4.48Å; V181-F188 HydrophobicContact CG2-CE2 3.87Å; V181-W193 HydrophobicContact CG1-CD2 3.64Å; V181-W193 HydrophobicContact CG1-CE3 3.86Å; V181-W193 HydrophobicContact CG1-CG 4.18Å; V181-W193 HydrophobicContact CG1-CH2 4.2Å; V181-W193 HydrophobicContact CG1-CZ2 3.99Å; V181-W193 HydrophobicContact CG1-CZ3 4.14Å; V181-C201 HydrophobicContact CG2-CB 4.01Å; V181-V208 HydrophobicContact CB-CG1 3.82Å; V181-V208 HydrophobicContact CB-CG2 3.87Å; V181-V208 HydrophobicContact CG1-CG1 4.19Å; V181-V208 HydrophobicContact CG1-CG2 4.41Å; V181-V208 HydrophobicContact CG2-CG2 3.99Å
182	Q	87.4	Confident	91.6	Very high	86 Å²	86	31.4 Å²	31.4	40%	0.402	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.2	179.4	-66.8	179.3	-33.6	0	0	110.4	L185 V208 S209 A210	Q182-L185 HydrophobicContact CG-CD2 4.46Å; Q182-V208 CarbonylContact O-C 3.53Å; Q182-V208 VanDerWaalsContact O-CA 3.28Å; Q182-V208 WeakPolarHBondContact O-CA 3.35Å; Q182-S209 PolarHBondContact O-N 3.32Å; Q182-S209 PolarHBondContact O-OG 2.95Å; Q182-A210 PolarHBondContact N-O 2.81Å
183	P	88.9	Confident	91.9	Very high	59 Å²	59	30 Å²	30	38%	0.383	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.6	-5.5	9.8	35.9	-35.5	0	0	0	115.3	L185 K206 S207	P183-L185 VanDerWaalsContact C-N 3.34Å; P183-L185 PolarHBondContact O-N 2.89Å; P183-K206 HydrophobicContact CG-CD 3.95Å; P183-K206 HydrophobicContact CG-CG 4.33Å; P183-S207 VanDerWaalsContact CD-O 3.24Å; P183-S207 WeakPolarHBondContact CD-O 3.45Å
184	C	90.6	Very high	91.9	Very high	26 Å²	26	27 Å²	27	18%	0.176	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.5	-171.2	61.5	0	0	0	0	116.3	H186 C201 C204 K206	C184-H186 WeakPolarHBondContact CB-ND1 3.39Å; C184-H186 PolarHBondContact O-N 3.15Å; C184-H186 PolarHBondContact O-ND1 2.91Å; C184-H186 PolarHBondContact SG-ND1 3.46Å; C184-C201 VanDerWaalsContact SG-CB 3.55Å; C184-C201 VanDerWaalsContact SG-SG 3.6Å; C184-C204 VanDerWaalsContact CB-SG 3.55Å; C184-C204 PolarHBondContact SG-SG 3.41Å; C184-K206 HydrophobicContact CB-CB 4.24Å; C184-K206 HydrophobicContact CB-CD 4.06Å
185	L	92.1	Very high	91.7	Very high	116 Å²	116	34 Å²	34	61%	0.607	17%	0.167	S	C	*	.			trans	54.7	2.2	177.4	-57.1	179.8	0	0	0	117.6	S180 V181 Q182 P183 S187	S180-L185 WeakPolarHBondContact CB-O 3.42Å; V181-L185 VanDerWaalsContact O-CA 3.26Å; V181-L185 WeakPolarHBondContact O-CA 3.29Å; V181-L185 PolarHBondContact O-N 2.94Å; Q182-L185 HydrophobicContact CG-CD2 4.46Å; P183-L185 VanDerWaalsContact C-N 3.34Å; P183-L185 PolarHBondContact O-N 2.89Å; L185-S187 PolarHBondContact O-OG 3.3Å
186	H	91.7	Very high	91.2	Very high	61 Å²	61	35.1 Å²	35.1	28%	0.282	18%	0.177	S	C	.	.			trans	-55.3	140.2	173	-68.3	109.3	0	0	0	112.1	S180 V181 C184 F188 M203 C204	S180-H186 WeakPolarHBondContact CA-O 3.41Å; V181-H186 HydrophobicContact CG2-CB 4.31Å; V181-H186 WeakPolarHBondContact CG2-O 3.31Å; V181-H186 PolarHBondContact N-O 2.8Å; C184-H186 WeakPolarHBondContact CB-ND1 3.39Å; C184-H186 PolarHBondContact O-N 3.15Å; C184-H186 PolarHBondContact O-ND1 2.91Å; C184-H186 PolarHBondContact SG-ND1 3.46Å; H186-F188 HydrophobicContact CB-CE2 4.12Å; H186-F188 HydrophobicContact CB-CZ 4.09Å; H186-M203 HydrophobicContact CB-CB 4.29Å; H186-M203 HydrophobicContact CB-CE 4.31Å; H186-M203 HydrophobicContact CB-SD 4.46Å; H186-M203 PolarHBondContact CD2-SD 3.12Å; H186-C204 VanDerWaalsContact CE1-CB 3.49Å; H186-C204 WeakPolarHBondContact CE1-CB 3.39Å; H186-C204 VanDerWaalsContact CE1-SG 3.56Å; H186-C204 PolarHBondContact ND1-SG 3.39Å; H186-C204 VanDerWaalsContact ND1-SG 3.36Å
187	S	93.2	Very high	90.1	Very high	14 Å²	14	40.1 Å²	40.1	10%	0.098	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.8	-168.3	-61.4	0	0	0	0	112.8	Y175 C179 S180 L185 L217	Y175-S187 WeakPolarHBondContact CE1-O 3.41Å; Y175-S187 PolarHBondContact OH-O 3.26Å; C179-S187 CarbonylContact O-C 3.46Å; C179-S187 VanDerWaalsContact O-CA 3.31Å; C179-S187 WeakPolarHBondContact O-CA 3.44Å; S180-S187 PolarHBondContact OG-OG 3.32Å; L185-S187 PolarHBondContact O-OG 3.3Å; S187-L217 WeakPolarHBondContact OG-CD1 3.15Å
188	F	94	Very high	89	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.2	-175	-54.6	-68.5	0	0	0	110.3	I170 C178 C179 V181 H186 T190 W193 P202 M203	I170-F188 HydrophobicContact CD1-CB 4.05Å; I170-F188 HydrophobicContact CD1-CD1 3.35Å; I170-F188 HydrophobicContact CD1-CE1 3.92Å; I170-F188 HydrophobicContact CD1-CG 3.74Å; I170-F188 HydrophobicContact CG1-CD1 3.71Å; I170-F188 HydrophobicContact CG1-CE1 4.07Å; C178-F188 CarbonylContact C-O 3.54Å; C178-F188 WeakPolarHBondContact CA-O 3.41Å; C179-F188 PolarHBondContact N-O 2.93Å; C179-F188 PolarHBondContact O-N 2.76Å; C179-F188 PolarHBondContact SG-O 2.81Å; V181-F188 HydrophobicContact CG1-CD2 4.09Å; V181-F188 HydrophobicContact CG1-CE2 4.2Å; V181-F188 HydrophobicContact CG2-CD2 4.48Å; V181-F188 HydrophobicContact CG2-CE2 3.87Å; H186-F188 HydrophobicContact CB-CE2 4.12Å; H186-F188 HydrophobicContact CB-CZ 4.09Å; F188-T190 PolarHBondContact O-N 3.08Å; F188-W193 HydrophobicContact CB-CB 4.27Å; F188-P202 HydrophobicContact CE1-CB 4.24Å; F188-P202 HydrophobicContact CZ-CB 4.15Å; F188-P202 HydrophobicContact CZ-CG 4.26Å; F188-M203 HydrophobicContact CE1-CB 4.29Å; F188-M203 HydrophobicContact CE1-CE 3.85Å; F188-M203 HydrophobicContact CZ-CB 3.9Å; F188-M203 HydrophobicContact CZ-CE 4.18Å
189	C	94.2	Very high	88.4	Confident	7 Å²	7	53 Å²	53	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	136.2	163	-54.3	0	0	0	0	109.3	C168 F176 L191 C192 W193	C168-C189 WeakPolarHBondContact CB-SG 3.43Å; C168-C189 PolarHBondContact SG-N 2.96Å; C168-C189 VanDerWaalsContact SG-N 3.37Å; C168-C189 VanDerWaalsContact SG-SG 3.65Å; F176-C189 PolarHBondContact N-SG 3.27Å; F176-C189 WeakPolarHBondContact O-CA 2.94Å; F176-C189 WeakPolarHBondContact O-CB 3.47Å; C189-L191 PolarHBondContact O-N 3.48Å; C189-L191 VanDerWaalsContact O-N 3.17Å; C189-C192 HydrophobicContact CB-CB 4.09Å; C189-C192 WeakPolarHBondContact O-CB 3.46Å; C189-C192 PolarHBondContact O-N 3.27Å; C189-W193 PolarHBondContact O-N 3.49Å
190	T	93.2	Very high	88.2	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-54.7	-39.8	-178.8	-69.3	0	0	0	0	111.6	E177 C179 F188 L194 I245	E177-T190 VanDerWaalsContact O-CB 3.22Å; E177-T190 WeakPolarHBondContact O-CB 3.41Å; E177-T190 PolarHBondContact O-N 3.25Å; E177-T190 PolarHBondContact O-OG1 3.29Å; C179-T190 WeakPolarHBondContact CB-OG1 3.39Å; F188-T190 PolarHBondContact O-N 3.08Å; T190-L194 HydrophobicContact CG2-CD1 3.71Å; T190-L194 HydrophobicContact CG2-CG 4.24Å; T190-L194 VanDerWaalsContact O-CB 3.3Å; T190-L194 WeakPolarHBondContact O-CB 3.3Å; T190-L194 VanDerWaalsContact O-CG 3.27Å; T190-L194 WeakPolarHBondContact O-CG 3.3Å; T190-L194 PolarHBondContact O-N 3.21Å; T190-I245 HydrophobicContact CG2-CD1 4.14Å; T190-I245 HydrophobicContact CG2-CG1 4.14Å; T190-I245 HydrophobicContact CG2-CG2 3.72Å
191	L	93.1	Very high	88	Confident	14 Å²	14	57.2 Å²	57.2	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-42.9	175.6	-179.3	58.3	0	0	0	113	C189 L194 R195 I241 E244 I245 L248	C189-L191 PolarHBondContact O-N 3.48Å; C189-L191 VanDerWaalsContact O-N 3.17Å; L191-L194 PolarHBondContact O-N 3.09Å; L191-R195 HydrophobicContact CD1-CG 4.11Å; L191-R195 HydrophobicContact CG-CG 4.5Å; L191-R195 WeakPolarHBondContact O-CB 3.17Å; L191-R195 WeakPolarHBondContact O-CG 3.27Å; L191-R195 PolarHBondContact O-N 3.15Å; L191-I241 HydrophobicContact CB-CG2 4.1Å; L191-I241 HydrophobicContact CD2-CB 4.28Å; L191-I241 HydrophobicContact CD2-CG1 4.02Å; L191-I241 HydrophobicContact CD2-CG2 3.82Å; L191-E244 HydrophobicContact CD1-CB 4.05Å; L191-E244 HydrophobicContact CD1-CG 3.56Å; L191-I245 HydrophobicContact CB-CD1 4.05Å; L191-I245 HydrophobicContact CB-CG1 3.79Å; L191-I245 HydrophobicContact CD1-CG1 4.33Å; L191-L248 HydrophobicContact CD1-CD1 3.87Å
192	C	93.1	Very high	87.8	Confident	18 Å²	18	60 Å²	60	12%	0.122	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-46.7	179.5	-69.4	0	0	0	0	111.1	I170 C189 R195 C196	I170-C192 HydrophobicContact CB-CB 3.85Å; I170-C192 HydrophobicContact CD1-CB 3.77Å; I170-C192 HydrophobicContact CG1-CB 4.41Å; I170-C192 HydrophobicContact CG2-CB 3.78Å; C189-C192 HydrophobicContact CB-CB 4.09Å; C189-C192 WeakPolarHBondContact O-CB 3.46Å; C189-C192 PolarHBondContact O-N 3.27Å; C192-R195 PolarHBondContact O-N 2.92Å; C192-C196 PolarHBondContact O-N 3.4Å; C192-C196 VanDerWaalsContact O-N 3.08Å; C192-C196 PolarHBondContact O-SG 3.31Å; C192-C196 VanDerWaalsContact O-SG 3.32Å
193	W	91.9	Very high	87.7	Confident	22 Å²	22	59 Å²	59	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-47.7	174.9	170.7	-119.5	0	0	0	112.3	V181 F188 C189 R195 C196 R198 P202 V208 Y211	V181-W193 HydrophobicContact CG1-CD2 3.64Å; V181-W193 HydrophobicContact CG1-CE3 3.86Å; V181-W193 HydrophobicContact CG1-CG 4.18Å; V181-W193 HydrophobicContact CG1-CH2 4.2Å; V181-W193 HydrophobicContact CG1-CZ2 3.99Å; V181-W193 HydrophobicContact CG1-CZ3 4.14Å; F188-W193 HydrophobicContact CB-CB 4.27Å; C189-W193 PolarHBondContact O-N 3.49Å; W193-R195 PolarHBondContact O-N 3.44Å; W193-C196 PolarHBondContact O-N 3.23Å; W193-C196 VanDerWaalsContact O-N 3.11Å; W193-R198 VanDerWaalsContact CH2-O 3.23Å; W193-R198 WeakPolarHBondContact CH2-O 3.35Å; W193-P202 HydrophobicContact CE3-CG 4.43Å; W193-P202 HydrophobicContact CZ3-CG 4.49Å; W193-V208 HydrophobicContact CH2-CB 3.75Å; W193-V208 HydrophobicContact CH2-CG1 3.72Å; W193-V208 HydrophobicContact CH2-CG2 3.74Å; W193-V208 HydrophobicContact CZ2-CB 4.09Å; W193-V208 HydrophobicContact CZ2-CG1 3.54Å; W193-V208 HydrophobicContact CZ2-CG2 4.4Å; W193-V208 HydrophobicContact CZ3-CG2 4.31Å; W193-Y211 AromaticContact CD1-CD1 3.86Å; W193-Y211 AromaticContact CD1-CD2 3.63Å; W193-Y211 AromaticContact CD1-CG 3.53Å; W193-Y211 AromaticContact NE1-CD1 3.16Å; W193-Y211 AromaticContact NE1-CD2 3.79Å; W193-Y211 AromaticContact NE1-CE1 3.79Å; W193-Y211 AromaticContact NE1-CG 3.18Å
194	L	90.2	Very high	87.7	Confident	12 Å²	12	58.8 Å²	58.8	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-24.1	178.4	-76.3	176	0	0	0	114.2	T190 L191 K197 I245 L248	T190-L194 HydrophobicContact CG2-CD1 3.71Å; T190-L194 HydrophobicContact CG2-CG 4.24Å; T190-L194 VanDerWaalsContact O-CB 3.3Å; T190-L194 WeakPolarHBondContact O-CB 3.3Å; T190-L194 VanDerWaalsContact O-CG 3.27Å; T190-L194 WeakPolarHBondContact O-CG 3.3Å; T190-L194 PolarHBondContact O-N 3.21Å; L191-L194 PolarHBondContact O-N 3.09Å; L194-K197 WeakPolarHBondContact O-CE 3.29Å; L194-K197 VanDerWaalsContact O-CG 3.23Å; L194-K197 WeakPolarHBondContact O-CG 3.44Å; L194-I245 HydrophobicContact CD1-CB 4.44Å; L194-I245 HydrophobicContact CD1-CG1 4.48Å; L194-I245 HydrophobicContact CD1-CG2 4.07Å; L194-L248 HydrophobicContact CB-CB 4.09Å; L194-L248 HydrophobicContact CB-CD1 3.87Å; L194-L248 HydrophobicContact CD1-CB 4.09Å
195	R	88	Confident	87.5	Confident	167 Å²	167	66.9 Å²	66.9	63%	0.63	32%	0.315	S	S	*	.	H	α-helix	trans	-79.5	-35.9	171.9	-77	177.6	174.9	-179.7	0.5	112.4	L191 C192 W193 K197 L248	L191-R195 HydrophobicContact CD1-CG 4.11Å; L191-R195 HydrophobicContact CG-CG 4.5Å; L191-R195 WeakPolarHBondContact O-CB 3.17Å; L191-R195 WeakPolarHBondContact O-CG 3.27Å; L191-R195 PolarHBondContact O-N 3.15Å; C192-R195 PolarHBondContact O-N 2.92Å; W193-R195 PolarHBondContact O-N 3.44Å; R195-K197 PolarHBondContact O-N 3.35Å; R195-L248 HydrophobicContact CG-CD1 4.16Å
196	C	81.8	Confident	87.1	Confident	46 Å²	46	64.9 Å²	64.9	31%	0.311	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-35.2	-177.2	-74.3	0	0	0	0	114.1	C192 W193 R198 P202	C192-C196 PolarHBondContact O-N 3.4Å; C192-C196 VanDerWaalsContact O-N 3.08Å; C192-C196 PolarHBondContact O-SG 3.31Å; C192-C196 VanDerWaalsContact O-SG 3.32Å; W193-C196 PolarHBondContact O-N 3.23Å; W193-C196 VanDerWaalsContact O-N 3.11Å; C196-R198 PolarHBondContact O-N 3.38Å; C196-P202 HydrophobicContact CB-CG 4.32Å
197	K	68.4	Low	86.9	Confident	134 Å²	134	66 Å²	66	58%	0.583	32%	0.316	S	S	*	.			trans	38.3	37.8	176.5	-66.8	-162.3	176.5	175.4	0	116.4	L194 R195	L194-K197 WeakPolarHBondContact O-CE 3.29Å; L194-K197 VanDerWaalsContact O-CG 3.23Å; L194-K197 WeakPolarHBondContact O-CG 3.44Å; R195-K197 PolarHBondContact O-N 3.35Å
198	R	66.4	Low	86.5	Confident	182 Å²	182	66.3 Å²	66.3	69%	0.687	32%	0.317	S	S	*	.			trans	-102.9	142.2	167.5	-70.1	174.2	-173.4	-169.6	-0.8	107.4	W193 C196 E200	W193-R198 VanDerWaalsContact CH2-O 3.23Å; W193-R198 WeakPolarHBondContact CH2-O 3.35Å; C196-R198 PolarHBondContact O-N 3.38Å; R198-E200 HydrophobicContact CB-CB 4.44Å; R198-E200 PolarHBondContact O-N 3.36Å
199	N	80.3	Confident	86.1	Confident	135 Å²	135	70.6 Å²	70.6	72%	0.722	35%	0.347	S	S	*	.	S	Bend	trans	-74.8	30.5	174.7	-65.6	-16.8	0	0	0	111.5	S207 V208	N199-S207 CarbonylContact O-C 3.59Å; N199-S207 WeakPolarHBondContact O-CA 3.41Å; N199-V208 PolarHBondContact O-N 3.11Å
200	E	89	Confident	85.8	Confident	97 Å²	97	72 Å²	72	45%	0.453	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-143.8	138.6	-169.8	-67.9	176.9	-173.5	0	0	108.4	R198 P202	R198-E200 HydrophobicContact CB-CB 4.44Å; R198-E200 PolarHBondContact O-N 3.36Å; E200-P202 WeakPolarHBondContact O-CD 3.35Å
201	C	88.7	Confident	85.7	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.014	37%	0.373	C	S	.	.			trans	-69.6	127.2	180	174.4	0	0	0	0	111.2	V181 C184 M203 C204 R205 K206 V208	V181-C201 HydrophobicContact CG2-CB 4.01Å; C184-C201 VanDerWaalsContact SG-CB 3.55Å; C184-C201 VanDerWaalsContact SG-SG 3.6Å; C201-M203 PolarHBondContact O-N 3.44Å; C201-M203 VanDerWaalsContact O-N 3.07Å; C201-M203 PolarHBondContact SG-N 3.23Å; C201-M203 VanDerWaalsContact SG-N 3.45Å; C201-C204 PolarHBondContact O-N 3.34Å; C201-R205 WeakPolarHBondContact O-CA 3.42Å; C201-R205 PolarHBondContact O-N 3.3Å; C201-K206 PolarHBondContact N-O 3.43Å; C201-V208 HydrophobicContact CB-CG2 3.95Å
202	P	87.5	Confident	85.5	Confident	60 Å²	60	77.3 Å²	77.3	39%	0.39	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.5	178.2	-28.8	37.7	0	0	0	115	I170 F188 W193 C196 E200	I170-P202 HydrophobicContact CD1-CB 4.21Å; I170-P202 HydrophobicContact CD1-CG 4.01Å; I170-P202 HydrophobicContact CG1-CB 4.34Å; F188-P202 HydrophobicContact CE1-CB 4.24Å; F188-P202 HydrophobicContact CZ-CB 4.15Å; F188-P202 HydrophobicContact CZ-CG 4.26Å; W193-P202 HydrophobicContact CE3-CG 4.43Å; W193-P202 HydrophobicContact CZ3-CG 4.49Å; C196-P202 HydrophobicContact CB-CG 4.32Å; E200-P202 WeakPolarHBondContact O-CD 3.35Å
203	M	85.9	Confident	85.5	Confident	63 Å²	63	81.3 Å²	81.3	31%	0.31	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-49.5	-179.1	-160.7	172.8	-49.1	0	0	112.8	V169 H186 F188 C201	V169-M203 HydrophobicContact CB-CE 3.97Å; V169-M203 HydrophobicContact CG1-CE 4.46Å; V169-M203 HydrophobicContact CG2-CE 3.58Å; H186-M203 HydrophobicContact CB-CB 4.29Å; H186-M203 HydrophobicContact CB-CE 4.31Å; H186-M203 HydrophobicContact CB-SD 4.46Å; H186-M203 PolarHBondContact CD2-SD 3.12Å; F188-M203 HydrophobicContact CE1-CB 4.29Å; F188-M203 HydrophobicContact CE1-CE 3.85Å; F188-M203 HydrophobicContact CZ-CB 3.9Å; F188-M203 HydrophobicContact CZ-CE 4.18Å; C201-M203 PolarHBondContact O-N 3.44Å; C201-M203 VanDerWaalsContact O-N 3.07Å; C201-M203 PolarHBondContact SG-N 3.23Å; C201-M203 VanDerWaalsContact SG-N 3.45Å
204	C	89.1	Confident	85.4	Confident	55 Å²	55	81.8 Å²	81.8	37%	0.372	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	0.3	-173	73.9	0	0	0	0	115.2	C184 H186 C201 K206	C184-C204 VanDerWaalsContact CB-SG 3.55Å; C184-C204 PolarHBondContact SG-SG 3.41Å; H186-C204 VanDerWaalsContact CE1-CB 3.49Å; H186-C204 WeakPolarHBondContact CE1-CB 3.39Å; H186-C204 VanDerWaalsContact CE1-SG 3.56Å; H186-C204 PolarHBondContact ND1-SG 3.39Å; H186-C204 VanDerWaalsContact ND1-SG 3.36Å; C201-C204 PolarHBondContact O-N 3.34Å; C204-K206 PolarHBondContact O-N 2.91Å; C204-K206 VanDerWaalsContact SG-CB 3.57Å
205	R	86.6	Confident	85.4	Confident	197 Å²	197	87.2 Å²	87.2	74%	0.743	43%	0.433	S	S	*	.			trans	59.4	-1.2	-176.7	-53.6	-178.3	-174	166.1	2.5	116.8	C201 S207	C201-R205 WeakPolarHBondContact O-CA 3.42Å; C201-R205 PolarHBondContact O-N 3.3Å; R205-S207 PolarHBondContact O-N 3.04Å
206	K	83.1	Confident	85.5	Confident	73 Å²	73	86.7 Å²	86.7	32%	0.317	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-56.4	136.5	173.3	-163.7	170.3	-169.6	178.2	0	110	D122 P183 C184 C201 C204 V208	D122-K206 IonicContact OD1-NZ 2.68Å; D122-K206 PolarHBondContact OD1-NZ 2.81Å; D122-K206 WeakPolarHBondContact OD2-CE 3.24Å; D122-K206 IonicContact OD2-NZ 3.96Å; D122-K206 PolarHBondContact OD2-NZ 3.36Å; P183-K206 HydrophobicContact CG-CD 3.95Å; P183-K206 HydrophobicContact CG-CG 4.33Å; C184-K206 HydrophobicContact CB-CB 4.24Å; C184-K206 HydrophobicContact CB-CD 4.06Å; C201-K206 PolarHBondContact N-O 3.43Å; C204-K206 PolarHBondContact O-N 2.91Å; C204-K206 VanDerWaalsContact SG-CB 3.57Å; K206-V208 PolarHBondContact O-N 3.01Å
207	S	86.8	Confident	85.9	Confident	86 Å²	86	86.3 Å²	86.3	60%	0.601	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-63.1	129.2	-175.9	-51.2	0	0	0	0	111.5	P183 N199 R205	P183-S207 VanDerWaalsContact CD-O 3.24Å; P183-S207 WeakPolarHBondContact CD-O 3.45Å; N199-S207 CarbonylContact O-C 3.59Å; N199-S207 WeakPolarHBondContact O-CA 3.41Å; R205-S207 PolarHBondContact O-N 3.04Å
208	V	86.3	Confident	87	Confident	20 Å²	20	81.2 Å²	81.2	12%	0.121	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-92.9	119.6	-174.1	177	0	0	0	0	110.6	V181 Q182 W193 N199 C201 K206 A210	V181-V208 HydrophobicContact CB-CG1 3.82Å; V181-V208 HydrophobicContact CB-CG2 3.87Å; V181-V208 HydrophobicContact CG1-CG1 4.19Å; V181-V208 HydrophobicContact CG1-CG2 4.41Å; V181-V208 HydrophobicContact CG2-CG2 3.99Å; Q182-V208 CarbonylContact O-C 3.53Å; Q182-V208 VanDerWaalsContact O-CA 3.28Å; Q182-V208 WeakPolarHBondContact O-CA 3.35Å; W193-V208 HydrophobicContact CH2-CB 3.75Å; W193-V208 HydrophobicContact CH2-CG1 3.72Å; W193-V208 HydrophobicContact CH2-CG2 3.74Å; W193-V208 HydrophobicContact CZ2-CB 4.09Å; W193-V208 HydrophobicContact CZ2-CG1 3.54Å; W193-V208 HydrophobicContact CZ2-CG2 4.4Å; W193-V208 HydrophobicContact CZ3-CG2 4.31Å; N199-V208 PolarHBondContact O-N 3.11Å; C201-V208 HydrophobicContact CB-CG2 3.95Å; K206-V208 PolarHBondContact O-N 3.01Å; V208-A210 WeakPolarHBondContact CG1-O 3.27Å
209	S	85.2	Confident	88.2	Confident	90 Å²	90	77.2 Å²	77.2	63%	0.629	40%	0.404	S	S	*	.			trans	-85.3	-38.8	176.9	55.2	0	0	0	0	112.6	Q182	Q182-S209 PolarHBondContact O-N 3.32Å; Q182-S209 PolarHBondContact O-OG 2.95Å
210	A	86.7	Confident	88.7	Confident	37 Å²	37	75 Å²	75	31%	0.306	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	174.1	-178.2	0	0	0	0	0	110.6	Q182 V208	Q182-A210 PolarHBondContact N-O 2.81Å; V208-A210 WeakPolarHBondContact CG1-O 3.27Å
211	Y	90.9	Very high	88.9	Confident	78 Å²	78	70.7 Å²	70.7	31%	0.306	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.8	170.4	71.2	-78.4	0	0	0	109	C179 S180 W193	C179-Y211 HydrophobicContact CB-CD2 4.03Å; S180-Y211 VanDerWaalsContact O-CA 3.29Å; S180-Y211 WeakPolarHBondContact O-CA 3.48Å; W193-Y211 AromaticContact CD1-CD1 3.86Å; W193-Y211 AromaticContact CD1-CD2 3.63Å; W193-Y211 AromaticContact CD1-CG 3.53Å; W193-Y211 AromaticContact NE1-CD1 3.16Å; W193-Y211 AromaticContact NE1-CD2 3.79Å; W193-Y211 AromaticContact NE1-CE1 3.79Å; W193-Y211 AromaticContact NE1-CG 3.18Å
212	A	90.2	Very high	88.9	Confident	49 Å²	49	74.3 Å²	74.3	41%	0.405	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.6	-179.7	0	0	0	0	0	110.4	C179 S180 N214	C179-A212 CarbonylContact C-O 3.56Å; C179-A212 WeakPolarHBondContact CA-O 3.44Å; C179-A212 VanDerWaalsContact CB-O 3.27Å; C179-A212 WeakPolarHBondContact CB-O 3.49Å; S180-A212 PolarHBondContact N-O 2.83Å; S180-A212 PolarHBondContact O-N 3.4Å; A212-N214 PolarHBondContact O-N 2.78Å
213	K	92.3	Very high	89.1	Confident	102 Å²	102	75.3 Å²	75.3	44%	0.443	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.5	172.7	-69.7	-165.9	177.8	-169.2	0	109.6	E177 H215	E177-K213 IonicContact OE1-NZ 2.59Å; E177-K213 PolarHBondContact OE1-NZ 2.94Å; K213-H215 PolarHBondContact O-N 3.47Å
214	N	90.8	Very high	89.3	Confident	32 Å²	32	72.3 Å²	72.3	17%	0.171	38%	0.382	C	S	.	.			trans	-92.9	90.1	177.2	-170.1	-40	0	0	0	109.5	C178 S180 A212 Q216 L217 N218	C178-N214 HydrophobicContact CB-CB 4.49Å; C178-N214 PolarHBondContact O-N 3.45Å; S180-N214 WeakPolarHBondContact OG-CB 3.44Å; S180-N214 PolarHBondContact OG-ND2 2.88Å; A212-N214 PolarHBondContact O-N 2.78Å; N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.78Å; N214-Q216 PolarHBondContact OD1-N 2.89Å; N214-L217 HydrophobicContact CB-CB 4.27Å; N214-L217 HydrophobicContact CB-CD1 4.38Å; N214-L217 PolarHBondContact O-N 3.01Å; N214-L217 PolarHBondContact OD1-N 2.65Å; N214-N218 PolarHBondContact O-N 3.49Å; N214-N218 VanDerWaalsContact O-N 3.08Å; N214-N218 PolarHBondContact O-ND2 3.07Å
215	H	90.3	Very high	89.4	Confident	127 Å²	127	71 Å²	71	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-62.9	-31.9	-177.8	-66.9	-81.6	0	0	0	112.9	K213 N218 N219	K213-H215 PolarHBondContact O-N 3.47Å; H215-N218 PolarHBondContact O-N 3.44Å; H215-N219 PolarHBondContact O-N 3.2Å; H215-N219 PolarHBondContact O-ND2 3.38Å; H215-N219 PolarHBondContact O-OD1 2.85Å
216	Q	88.7	Confident	89.4	Confident	155 Å²	155	71.2 Å²	71.2	72%	0.724	37%	0.371	S	S	*	.	H	α-helix	trans	-66.1	-48.6	178.3	-66.7	173.3	-19.7	0	0	111.6	N214 N219 L220	N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.78Å; N214-Q216 PolarHBondContact OD1-N 2.89Å; Q216-N219 PolarHBondContact O-N 3.09Å; Q216-L220 WeakPolarHBondContact O-CG 3.31Å; Q216-L220 PolarHBondContact O-N 2.9Å; Q216-L220 VanDerWaalsContact O-N 3.11Å
217	L	90.9	Very high	89.6	Confident	38 Å²	38	73.5 Å²	73.5	20%	0.199	38%	0.381	C	S	.	.	H	α-helix	trans	-64.8	-38.7	175.8	-74.8	177	0	0	0	112.2	L166 C178 S187 N214 N219 L220 V221	L166-L217 HydrophobicContact CD2-CD2 4.44Å; C178-L217 HydrophobicContact CB-CB 4.12Å; C178-L217 VanDerWaalsContact SG-CD1 3.57Å; S187-L217 WeakPolarHBondContact OG-CD1 3.15Å; N214-L217 HydrophobicContact CB-CB 4.27Å; N214-L217 HydrophobicContact CB-CD1 4.38Å; N214-L217 PolarHBondContact O-N 3.01Å; N214-L217 PolarHBondContact OD1-N 2.65Å; L217-N219 VanDerWaalsContact C-N 3.34Å; L217-N219 PolarHBondContact O-N 3.3Å; L217-L220 HydrophobicContact CD2-CD1 4.42Å; L217-L220 PolarHBondContact O-N 2.74Å; L217-V221 WeakPolarHBondContact O-CG2 3.36Å; L217-V221 PolarHBondContact O-N 3.22Å
218	N	92	Very high	89.6	Confident	28 Å²	28	71 Å²	71	15%	0.15	36%	0.36	C	S	.	.	H	α-helix	trans	-61	-42.6	174.4	-72.6	-60.1	0	0	0	111.6	E177 C178 N214 H215 L220 V221 D222	E177-N218 WeakPolarHBondContact CA-OD1 3.49Å; C178-N218 PolarHBondContact N-ND2 2.64Å; C178-N218 PolarHBondContact N-OD1 2.9Å; C178-N218 PolarHBondContact O-ND2 3.25Å; N214-N218 PolarHBondContact O-N 3.49Å; N214-N218 VanDerWaalsContact O-N 3.08Å; N214-N218 PolarHBondContact O-ND2 3.07Å; H215-N218 PolarHBondContact O-N 3.44Å; N218-L220 VanDerWaalsContact C-N 3.32Å; N218-L220 PolarHBondContact O-N 2.82Å; N218-V221 WeakPolarHBondContact O-CB 3.45Å; N218-V221 PolarHBondContact O-N 3.36Å; N218-D222 PolarHBondContact O-N 3.38Å
219	N	91.3	Very high	89.7	Confident	98 Å²	98	74.3 Å²	74.3	52%	0.524	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-37.2	175.9	-65.9	-9.5	0	0	0	112.5	H215 Q216 L217 D222 V223	H215-N219 PolarHBondContact O-N 3.2Å; H215-N219 PolarHBondContact O-ND2 3.38Å; H215-N219 PolarHBondContact O-OD1 2.85Å; Q216-N219 PolarHBondContact O-N 3.09Å; L217-N219 VanDerWaalsContact C-N 3.34Å; L217-N219 PolarHBondContact O-N 3.3Å; N219-D222 PolarHBondContact O-N 3.23Å; N219-V223 WeakPolarHBondContact O-CG2 3.29Å; N219-V223 PolarHBondContact O-N 3.46Å; N219-V223 VanDerWaalsContact O-N 3.11Å
220	L	90.8	Very high	89.7	Confident	89 Å²	89	76.1 Å²	76.1	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-69.6	-39.2	176	-68.1	174.2	0	0	0	112.1	L166 Q216 L217 N218 V223 F224	L166-L220 HydrophobicContact CD2-CB 3.84Å; Q216-L220 WeakPolarHBondContact O-CG 3.31Å; Q216-L220 PolarHBondContact O-N 2.9Å; Q216-L220 VanDerWaalsContact O-N 3.11Å; L217-L220 HydrophobicContact CD2-CD1 4.42Å; L217-L220 PolarHBondContact O-N 2.74Å; N218-L220 VanDerWaalsContact C-N 3.32Å; N218-L220 PolarHBondContact O-N 2.82Å; L220-V223 PolarHBondContact O-N 3.24Å; L220-F224 WeakPolarHBondContact O-CB 3.31Å; L220-F224 PolarHBondContact O-N 3.16Å
221	V	92	Very high	89.5	Confident	6 Å²	6	77.7 Å²	77.7	4%	0.036	38%	0.38	C	S	.	.	H	α-helix	trans	-59.3	-47	170.7	168.2	0	0	0	0	110.9	L166 I174 Y175 L217 N218 V223 F224 L225	L166-V221 HydrophobicContact CB-CG2 4.42Å; L166-V221 HydrophobicContact CD2-CG2 4.17Å; I174-V221 HydrophobicContact CG2-CG1 3.84Å; I174-V221 HydrophobicContact CG2-CG2 4.1Å; Y175-V221 WeakPolarHBondContact O-CG1 3.33Å; L217-V221 WeakPolarHBondContact O-CG2 3.36Å; L217-V221 PolarHBondContact O-N 3.22Å; N218-V221 WeakPolarHBondContact O-CB 3.45Å; N218-V221 PolarHBondContact O-N 3.36Å; V221-V223 VanDerWaalsContact C-N 3.29Å; V221-V223 PolarHBondContact O-N 3.01Å; V221-F224 PolarHBondContact O-N 2.89Å; V221-F224 VanDerWaalsContact O-N 3.11Å; V221-L225 HydrophobicContact CG1-CD1 3.49Å; V221-L225 VanDerWaalsContact CG1-CD1 3.49Å; V221-L225 HydrophobicContact CG1-CG 4.02Å; V221-L225 WeakPolarHBondContact O-CB 3.48Å; V221-L225 WeakPolarHBondContact O-CG 3.37Å; V221-L225 PolarHBondContact O-N 3.23Å
222	D	90.5	Very high	89.3	Confident	77 Å²	77	78.3 Å²	78.3	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-60.5	-39	179	-72.8	-17.2	0	0	0	111.9	N218 N219 R226	N218-D222 PolarHBondContact O-N 3.38Å; N219-D222 PolarHBondContact O-N 3.23Å; D222-R226 WeakPolarHBondContact O-CD 3.39Å; D222-R226 WeakPolarHBondContact O-CG 3.48Å; D222-R226 PolarHBondContact O-N 3.44Å; D222-R226 VanDerWaalsContact O-N 3.15Å
223	V	90.5	Very high	89.1	Confident	82 Å²	82	77.9 Å²	77.9	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-67.8	-39.2	174.8	171.1	0	0	0	0	111.6	N219 L220 V221	N219-V223 WeakPolarHBondContact O-CG2 3.29Å; N219-V223 PolarHBondContact O-N 3.46Å; N219-V223 VanDerWaalsContact O-N 3.11Å; L220-V223 PolarHBondContact O-N 3.24Å; V221-V223 VanDerWaalsContact C-N 3.29Å; V221-V223 PolarHBondContact O-N 3.01Å
224	F	90.6	Very high	88.8	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-68	-46.6	177.5	-177.9	-98.7	0	0	0	112.3	L162 E163 L166 I174 L220 V221 R226 K227 H228 K231	L162-F224 HydrophobicContact CD2-CD2 3.87Å; L162-F224 HydrophobicContact CG-CD2 3.91Å; L162-F224 HydrophobicContact CG-CE2 4.42Å; E163-F224 HydrophobicContact CB-CE1 4.38Å; E163-F224 HydrophobicContact CB-CE2 3.95Å; E163-F224 HydrophobicContact CB-CZ 3.53Å; E163-F224 HydrophobicContact CG-CE1 4.13Å; E163-F224 HydrophobicContact CG-CZ 3.67Å; L166-F224 HydrophobicContact CD1-CB 3.48Å; L166-F224 VanDerWaalsContact CD1-CB 3.48Å; L166-F224 HydrophobicContact CD1-CD1 4.38Å; L166-F224 HydrophobicContact CD1-CD2 4.14Å; L166-F224 HydrophobicContact CD1-CG 3.76Å; I174-F224 HydrophobicContact CD1-CD1 4.28Å; I174-F224 HydrophobicContact CD1-CE1 3.8Å; I174-F224 HydrophobicContact CG1-CE1 4.26Å; L220-F224 WeakPolarHBondContact O-CB 3.31Å; L220-F224 PolarHBondContact O-N 3.16Å; V221-F224 PolarHBondContact O-N 2.89Å; V221-F224 VanDerWaalsContact O-N 3.11Å; F224-R226 VanDerWaalsContact C-N 3.28Å; F224-R226 PolarHBondContact O-N 3.42Å; F224-K227 WeakPolarHBondContact O-CB 3.44Å; F224-K227 PolarHBondContact O-N 2.63Å; F224-H228 AromaticContact CD2-CD2 3.87Å; F224-H228 HydrophobicContact CE1-CB 4.26Å; F224-H228 AromaticContact CE2-CD2 3.43Å; F224-H228 VanDerWaalsContact CE2-CD2 3.43Å; F224-H228 WeakPolarHBondContact CE2-CD2 3.08Å; F224-H228 AromaticContact CE2-NE2 3.9Å; F224-H228 HydrophobicContact CZ-CB 4.46Å; F224-H228 AromaticContact CZ-CD2 3.51Å; F224-H228 PolarHBondContact O-N 3.15Å; F224-K231 HydrophobicContact CE1-CD 4.11Å; F224-K231 HydrophobicContact CZ-CD 4.42Å
225	L	90.5	Very high	88.6	Confident	28 Å²	28	82 Å²	82	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-67.7	-25	179	-67.3	175.3	0	0	0	113.1	I174 V221 K227 H228 K231 L232	I174-L225 HydrophobicContact CG2-CD2 4.43Å; V221-L225 HydrophobicContact CG1-CD1 3.49Å; V221-L225 VanDerWaalsContact CG1-CD1 3.49Å; V221-L225 HydrophobicContact CG1-CG 4.02Å; V221-L225 WeakPolarHBondContact O-CB 3.48Å; V221-L225 WeakPolarHBondContact O-CG 3.37Å; V221-L225 PolarHBondContact O-N 3.23Å; L225-K227 VanDerWaalsContact C-N 3.3Å; L225-H228 CarbonylContact O-C 3.28Å; L225-H228 VanDerWaalsContact O-C 3.28Å; L225-H228 PolarHBondContact O-N 3.39Å; L225-K231 HydrophobicContact CD2-CB 4.15Å; L225-L232 HydrophobicContact CB-CD1 4.4Å; L225-L232 HydrophobicContact CD1-CD1 3.9Å
226	R	88.1	Confident	88.4	Confident	200 Å²	200	79.7 Å²	79.7	76%	0.755	40%	0.403	S	S	*	.	H	α-helix	trans	-67.3	-28.4	168.8	-76	170.5	-161.5	-174.3	7.2	113.4	D222 F224	D222-R226 WeakPolarHBondContact O-CD 3.39Å; D222-R226 WeakPolarHBondContact O-CG 3.48Å; D222-R226 PolarHBondContact O-N 3.44Å; D222-R226 VanDerWaalsContact O-N 3.15Å; F224-R226 VanDerWaalsContact C-N 3.28Å; F224-R226 PolarHBondContact O-N 3.42Å
227	K	87.3	Confident	88.4	Confident	122 Å²	122	75.7 Å²	75.7	53%	0.53	38%	0.384	S	S	.	.	H	α-helix	trans	-83.7	-33.9	172.1	-68.6	-177	171.7	-167.8	0	112.4	D159 F224 L225 P229	D159-K227 IonicContact OD1-NZ 2.88Å; D159-K227 PolarHBondContact OD1-NZ 3.44Å; F224-K227 WeakPolarHBondContact O-CB 3.44Å; F224-K227 PolarHBondContact O-N 2.63Å; L225-K227 VanDerWaalsContact C-N 3.3Å; K227-P229 VanDerWaalsContact O-CD 3.22Å; K227-P229 WeakPolarHBondContact O-CD 3.46Å
228	H	86.6	Confident	88.2	Confident	34 Å²	34	75.7 Å²	75.7	16%	0.157	38%	0.383	C	S	.	.			trans	-117.7	66.6	-175.1	-67.6	-70.6	0	0	0	112	F224 L225 E230 K231	F224-H228 AromaticContact CD2-CD2 3.87Å; F224-H228 HydrophobicContact CE1-CB 4.26Å; F224-H228 AromaticContact CE2-CD2 3.43Å; F224-H228 VanDerWaalsContact CE2-CD2 3.43Å; F224-H228 WeakPolarHBondContact CE2-CD2 3.08Å; F224-H228 AromaticContact CE2-NE2 3.9Å; F224-H228 HydrophobicContact CZ-CB 4.46Å; F224-H228 AromaticContact CZ-CD2 3.51Å; F224-H228 PolarHBondContact O-N 3.15Å; L225-H228 CarbonylContact O-C 3.28Å; L225-H228 VanDerWaalsContact O-C 3.28Å; L225-H228 PolarHBondContact O-N 3.39Å; H228-E230 WeakPolarHBondContact CA-OE2 3.35Å; H228-E230 WeakPolarHBondContact CB-OE1 3.21Å; H228-E230 IonicContact CG-OE1 3.53Å; H228-E230 IonicContact ND1-OE1 2.91Å; H228-E230 PolarHBondContact ND1-OE1 3.34Å; H228-E230 PolarHBondContact O-N 2.9Å; H228-K231 HydrophobicContact CB-CB 4.45Å; H228-K231 HydrophobicContact CB-CD 4.1Å; H228-K231 HydrophobicContact CB-CG 4.26Å; H228-K231 PolarHBondContact O-N 2.91Å
229	P	86.8	Confident	88.1	Confident	88 Å²	88	77.6 Å²	77.6	57%	0.571	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-61.7	-23.4	-179.4	27.6	-35.8	0	0	0	112.7	K227 K231 L232	K227-P229 VanDerWaalsContact O-CD 3.22Å; K227-P229 WeakPolarHBondContact O-CD 3.46Å; P229-K231 PolarHBondContact O-N 3.44Å; P229-L232 VanDerWaalsContact O-CB 3.3Å; P229-L232 WeakPolarHBondContact O-CB 3.38Å; P229-L232 PolarHBondContact O-N 3.44Å
230	E	86	Confident	88.1	Confident	129 Å²	129	77.1 Å²	77.1	60%	0.603	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-65.5	-16.1	174.8	75.4	-71.2	172.1	0	0	114	H228	H228-E230 WeakPolarHBondContact CA-OE2 3.35Å; H228-E230 WeakPolarHBondContact CB-OE1 3.21Å; H228-E230 IonicContact CG-OE1 3.53Å; H228-E230 IonicContact ND1-OE1 2.91Å; H228-E230 PolarHBondContact ND1-OE1 3.34Å; H228-E230 PolarHBondContact O-N 2.9Å
231	K	83.2	Confident	88.1	Confident	69 Å²	69	74.1 Å²	74.1	30%	0.3	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-101.6	-0.4	177.7	-57	-177.4	-172.9	179.5	0	112.8	E163 F224 L225 H228 P229 K233	E163-K231 WeakPolarHBondContact OE1-CD 3.35Å; E163-K231 WeakPolarHBondContact OE1-CE 3.27Å; E163-K231 IonicContact OE1-NZ 2.67Å; E163-K231 PolarHBondContact OE1-NZ 3.41Å; E163-K231 IonicContact OE2-NZ 3.12Å; E163-K231 PolarHBondContact OE2-NZ 2.94Å; F224-K231 HydrophobicContact CE1-CD 4.11Å; F224-K231 HydrophobicContact CZ-CD 4.42Å; L225-K231 HydrophobicContact CD2-CB 4.15Å; H228-K231 HydrophobicContact CB-CB 4.45Å; H228-K231 HydrophobicContact CB-CD 4.1Å; H228-K231 HydrophobicContact CB-CG 4.26Å; H228-K231 PolarHBondContact O-N 2.91Å; P229-K231 PolarHBondContact O-N 3.44Å; K231-K233 PolarHBondContact O-N 3.46Å
232	L	85.8	Confident	88.1	Confident	91 Å²	91	78 Å²	78	48%	0.476	39%	0.391	S	S	.	.	S	Bend	trans	-72.8	119.7	177	-173.8	66.1	0	0	0	109.9	L225 P229 S234	L225-L232 HydrophobicContact CB-CD1 4.4Å; L225-L232 HydrophobicContact CD1-CD1 3.9Å; P229-L232 VanDerWaalsContact O-CB 3.3Å; P229-L232 WeakPolarHBondContact O-CB 3.38Å; P229-L232 PolarHBondContact O-N 3.44Å; L232-S234 PolarHBondContact O-N 3.06Å
233	K	85.6	Confident	88.1	Confident	40 Å²	40	80.5 Å²	80.5	17%	0.174	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-54.5	138.2	171.1	-69.7	-177.3	174.1	-64	0	110.2	D173 F176 K231 E237 Q238 I241	D173-K233 WeakPolarHBondContact OD2-CE 3.34Å; D173-K233 IonicContact OD2-NZ 2.76Å; D173-K233 PolarHBondContact OD2-NZ 2.95Å; F176-K233 HydrophobicContact CD2-CD 4.38Å; K231-K233 PolarHBondContact O-N 3.46Å; K233-E237 WeakPolarHBondContact CB-OE2 3.38Å; K233-E237 VanDerWaalsContact CD-OE1 3.32Å; K233-E237 WeakPolarHBondContact CD-OE1 3.29Å; K233-E237 WeakPolarHBondContact CE-OE1 3.28Å; K233-E237 IonicContact NZ-OE1 3.08Å; K233-E237 PolarHBondContact NZ-OE1 3.17Å; K233-Q238 HydrophobicContact CB-CG 3.96Å; K233-Q238 WeakPolarHBondContact O-CG 3.36Å; K233-Q238 PolarHBondContact O-NE2 2.83Å; K233-I241 HydrophobicContact CD-CD1 3.78Å
234	S	86.5	Confident	88.1	Confident	69 Å²	69	78.6 Å²	78.6	48%	0.483	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-57.4	150.4	-179.7	70.7	0	0	0	0	111.5	L232 S236 E237 Q238	L232-S234 PolarHBondContact O-N 3.06Å; S234-S236 PolarHBondContact O-N 3.34Å; S234-E237 WeakPolarHBondContact O-CB 3.33Å; S234-E237 PolarHBondContact O-N 3.42Å; S234-E237 WeakPolarHBondContact OG-CB 3.41Å; S234-E237 PolarHBondContact OG-N 2.92Å; S234-Q238 WeakPolarHBondContact O-CG 3.27Å; S234-Q238 PolarHBondContact O-N 3.09Å
235	E	86.7	Confident	88	Confident	152 Å²	152	79.2 Å²	79.2	71%	0.71	39%	0.389	S	S	*	.	H	α-helix	trans	-57.8	-35.6	-177.7	-174.2	173.8	-165.9	0	0	112.5	Q238 N239	E235-Q238 PolarHBondContact O-N 3.08Å; E235-N239 WeakPolarHBondContact O-CB 3.38Å; E235-N239 VanDerWaalsContact O-CG 3.27Å; E235-N239 PolarHBondContact O-N 3.36Å; E235-N239 PolarHBondContact O-ND2 2.79Å
236	S	85.4	Confident	88	Confident	78 Å²	78	79.9 Å²	79.9	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-58.4	-53.9	171.3	-166.8	0	0	0	0	111.4	S234 Q238 N239 D240	S234-S236 PolarHBondContact O-N 3.34Å; S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact O-N 3.18Å; S236-N239 PolarHBondContact O-N 2.98Å; S236-D240 VanDerWaalsContact O-CG 3.23Å; S236-D240 PolarHBondContact O-N 3.13Å
237	E	88.6	Confident	88	Confident	71 Å²	71	77 Å²	77	33%	0.332	39%	0.388	S	S	.	.	H	α-helix	trans	-60.9	-40.1	-179.5	-170.5	-165.8	166.2	0	0	111.9	K233 S234 N239 D240 I241	K233-E237 WeakPolarHBondContact CB-OE2 3.38Å; K233-E237 VanDerWaalsContact CD-OE1 3.32Å; K233-E237 WeakPolarHBondContact CD-OE1 3.29Å; K233-E237 WeakPolarHBondContact CE-OE1 3.28Å; K233-E237 IonicContact NZ-OE1 3.08Å; K233-E237 PolarHBondContact NZ-OE1 3.17Å; S234-E237 WeakPolarHBondContact O-CB 3.33Å; S234-E237 PolarHBondContact O-N 3.42Å; S234-E237 WeakPolarHBondContact OG-CB 3.41Å; S234-E237 PolarHBondContact OG-N 2.92Å; E237-N239 VanDerWaalsContact C-N 3.31Å; E237-N239 PolarHBondContact O-N 3.47Å; E237-D240 PolarHBondContact O-N 3.47Å; E237-I241 HydrophobicContact CG-CD1 4.01Å; E237-I241 WeakPolarHBondContact O-CB 3.28Å; E237-I241 VanDerWaalsContact O-CG1 3.24Å; E237-I241 WeakPolarHBondContact O-CG1 3.45Å; E237-I241 PolarHBondContact O-N 2.83Å
238	Q	88.3	Confident	87.9	Confident	39 Å²	39	71.9 Å²	71.9	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-60.7	-41.7	174.6	-66.4	-169.5	35.6	0	0	111.9	F176 K233 S234 E235 S236 K242	F176-Q238 HydrophobicContact CE2-CB 3.96Å; F176-Q238 HydrophobicContact CE2-CG 3.58Å; F176-Q238 HydrophobicContact CZ-CB 3.77Å; F176-Q238 HydrophobicContact CZ-CG 3.95Å; K233-Q238 HydrophobicContact CB-CG 3.96Å; K233-Q238 WeakPolarHBondContact O-CG 3.36Å; K233-Q238 PolarHBondContact O-NE2 2.83Å; S234-Q238 WeakPolarHBondContact O-CG 3.27Å; S234-Q238 PolarHBondContact O-N 3.09Å; E235-Q238 PolarHBondContact O-N 3.08Å; S236-Q238 VanDerWaalsContact C-N 3.32Å; S236-Q238 PolarHBondContact O-N 3.18Å; Q238-K242 WeakPolarHBondContact O-CB 3.39Å; Q238-K242 WeakPolarHBondContact O-CD 3.09Å; Q238-K242 VanDerWaalsContact O-CG 3.23Å; Q238-K242 WeakPolarHBondContact O-CG 3.11Å; Q238-K242 PolarHBondContact O-N 3.03Å
239	N	90.2	Very high	87.7	Confident	67 Å²	67	71.8 Å²	71.8	36%	0.358	37%	0.369	S	S	.	.	H	α-helix	trans	-70.2	-39.3	178.6	-73.9	-28.4	0	0	0	111.6	E235 S236 E237 K242 Q243	E235-N239 WeakPolarHBondContact O-CB 3.38Å; E235-N239 VanDerWaalsContact O-CG 3.27Å; E235-N239 PolarHBondContact O-N 3.36Å; E235-N239 PolarHBondContact O-ND2 2.79Å; S236-N239 PolarHBondContact O-N 2.98Å; E237-N239 VanDerWaalsContact C-N 3.31Å; E237-N239 PolarHBondContact O-N 3.47Å; N239-K242 PolarHBondContact O-N 2.95Å; N239-Q243 WeakPolarHBondContact O-CB 3.45Å; N239-Q243 VanDerWaalsContact O-CG 3.27Å; N239-Q243 WeakPolarHBondContact O-CG 3.19Å; N239-Q243 PolarHBondContact O-N 2.86Å
240	D	90.7	Very high	87.1	Confident	89 Å²	89	76.9 Å²	76.9	48%	0.476	38%	0.377	S	S	.	.	H	α-helix	trans	-63	-43.3	175	-64	-31.7	0	0	0	111.6	S236 E237 Q243 E244	S236-D240 VanDerWaalsContact O-CG 3.23Å; S236-D240 PolarHBondContact O-N 3.13Å; E237-D240 PolarHBondContact O-N 3.47Å; D240-Q243 PolarHBondContact O-N 2.77Å; D240-E244 PolarHBondContact O-N 3.02Å
241	I	90.4	Very high	86.1	Confident	25 Å²	25	74.9 Å²	74.9	13%	0.128	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-46.1	175.2	-68.1	165.8	0	0	0	111	F176 L191 K233 E237 Q243 E244 I245	F176-I241 HydrophobicContact CD1-CB 4.19Å; F176-I241 HydrophobicContact CD1-CD1 4.42Å; F176-I241 HydrophobicContact CD1-CG2 3.39Å; F176-I241 HydrophobicContact CE1-CB 3.93Å; F176-I241 HydrophobicContact CE1-CG2 3.47Å; F176-I241 VanDerWaalsContact CE1-CG2 3.47Å; F176-I241 HydrophobicContact CG-CG2 4.46Å; L191-I241 HydrophobicContact CB-CG2 4.1Å; L191-I241 HydrophobicContact CD2-CB 4.28Å; L191-I241 HydrophobicContact CD2-CG1 4.02Å; L191-I241 HydrophobicContact CD2-CG2 3.82Å; K233-I241 HydrophobicContact CD-CD1 3.78Å; E237-I241 HydrophobicContact CG-CD1 4.01Å; E237-I241 WeakPolarHBondContact O-CB 3.28Å; E237-I241 VanDerWaalsContact O-CG1 3.24Å; E237-I241 WeakPolarHBondContact O-CG1 3.45Å; E237-I241 PolarHBondContact O-N 2.83Å; I241-Q243 VanDerWaalsContact C-N 3.34Å; I241-Q243 PolarHBondContact O-N 2.81Å; I241-E244 PolarHBondContact O-N 3.32Å; I241-I245 HydrophobicContact CG2-CD1 3.78Å; I241-I245 HydrophobicContact CG2-CG1 4.42Å; I241-I245 VanDerWaalsContact O-CG1 3.3Å; I241-I245 WeakPolarHBondContact O-CG1 3.26Å; I241-I245 PolarHBondContact O-N 3.41Å
242	K	91.8	Very high	85	Confident	87 Å²	87	73.4 Å²	73.4	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-40.8	176.6	-75.4	165.5	-178.2	160	0	111.8	F176 Q238 N239 I245 A246	F176-K242 HydrophobicContact CE1-CG 4.16Å; F176-K242 HydrophobicContact CZ-CG 4.28Å; Q238-K242 WeakPolarHBondContact O-CB 3.39Å; Q238-K242 WeakPolarHBondContact O-CD 3.09Å; Q238-K242 VanDerWaalsContact O-CG 3.23Å; Q238-K242 WeakPolarHBondContact O-CG 3.11Å; Q238-K242 PolarHBondContact O-N 3.03Å; N239-K242 PolarHBondContact O-N 2.95Å; K242-I245 PolarHBondContact O-N 3.35Å; K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 2.8Å
243	Q	90.4	Very high	83.7	Confident	130 Å²	130	73.5 Å²	73.5	61%	0.607	37%	0.369	S	S	*	.	H	α-helix	trans	-62.9	-45.5	175.9	-76.1	179.8	61.3	0	0	112	N239 D240 I241 A246 R247	N239-Q243 WeakPolarHBondContact O-CB 3.45Å; N239-Q243 VanDerWaalsContact O-CG 3.27Å; N239-Q243 WeakPolarHBondContact O-CG 3.19Å; N239-Q243 PolarHBondContact O-N 2.86Å; D240-Q243 PolarHBondContact O-N 2.77Å; I241-Q243 VanDerWaalsContact C-N 3.34Å; I241-Q243 PolarHBondContact O-N 2.81Å; Q243-A246 WeakPolarHBondContact O-CB 3.4Å; Q243-A246 PolarHBondContact O-N 3Å; Q243-R247 PolarHBondContact O-N 3.38Å
244	E	89.8	Confident	81.8	Confident	43 Å²	43	78.2 Å²	78.2	20%	0.201	39%	0.392	C	S	.	.	H	α-helix	trans	-69.8	-35.4	178.7	-176.8	61.4	179.5	0	0	112.3	L191 D240 I241 A246 R247 L248	L191-E244 HydrophobicContact CD1-CB 4.05Å; L191-E244 HydrophobicContact CD1-CG 3.56Å; D240-E244 PolarHBondContact O-N 3.02Å; I241-E244 PolarHBondContact O-N 3.32Å; E244-A246 VanDerWaalsContact C-N 3.33Å; E244-A246 PolarHBondContact O-N 3.46Å; E244-R247 PolarHBondContact O-N 2.83Å; E244-R247 IonicContact OE1-CZ 2.72Å; E244-R247 IonicContact OE1-NE 2.82Å; E244-R247 IonicContact OE1-NH2 3.64Å; E244-R247 PolarHBondContact OE1-NH2 2.72Å; E244-R247 IonicContact OE2-CZ 2.77Å; E244-R247 IonicContact OE2-NE 3.38Å; E244-R247 PolarHBondContact OE2-NE 2.73Å; E244-R247 IonicContact OE2-NH2 3.45Å; E244-R247 PolarHBondContact OE2-NH2 2.85Å; E244-L248 HydrophobicContact CG-CD1 3.92Å; E244-L248 HydrophobicContact CG-CG 4.26Å; E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 WeakPolarHBondContact O-CG 3.32Å; E244-L248 PolarHBondContact O-N 2.97Å
245	I	89.6	Confident	79.8	Confident	12 Å²	12	79 Å²	79	6%	0.062	39%	0.394	C	S	.	.	H	α-helix	trans	-58.6	-45.9	170.1	-72.2	168.4	0	0	0	110.5	E177 T190 L191 L194 I241 K242 R247 S249	E177-I245 HydrophobicContact CB-CD1 4.35Å; E177-I245 WeakPolarHBondContact OE2-CD1 3.31Å; T190-I245 HydrophobicContact CG2-CD1 4.14Å; T190-I245 HydrophobicContact CG2-CG1 4.14Å; T190-I245 HydrophobicContact CG2-CG2 3.72Å; L191-I245 HydrophobicContact CB-CD1 4.05Å; L191-I245 HydrophobicContact CB-CG1 3.79Å; L191-I245 HydrophobicContact CD1-CG1 4.33Å; L194-I245 HydrophobicContact CD1-CB 4.44Å; L194-I245 HydrophobicContact CD1-CG1 4.48Å; L194-I245 HydrophobicContact CD1-CG2 4.07Å; I241-I245 HydrophobicContact CG2-CD1 3.78Å; I241-I245 HydrophobicContact CG2-CG1 4.42Å; I241-I245 VanDerWaalsContact O-CG1 3.3Å; I241-I245 WeakPolarHBondContact O-CG1 3.26Å; I241-I245 PolarHBondContact O-N 3.41Å; K242-I245 PolarHBondContact O-N 3.35Å; I245-R247 PolarHBondContact O-N 3.48Å; I245-S249 VanDerWaalsContact O-CB 3.24Å; I245-S249 WeakPolarHBondContact O-CB 3.09Å; I245-S249 PolarHBondContact O-N 3.05Å; I245-S249 PolarHBondContact O-OG 3.04Å
246	A	89.9	Confident	77.8	Confident	42 Å²	42	80 Å²	80	35%	0.347	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-40.7	177.3	0	0	0	0	0	112	K242 Q243 E244 R250	K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 2.8Å; Q243-A246 WeakPolarHBondContact O-CB 3.4Å; Q243-A246 PolarHBondContact O-N 3Å; E244-A246 VanDerWaalsContact C-N 3.33Å; E244-A246 PolarHBondContact O-N 3.46Å; A246-R250 VanDerWaalsContact O-CG 3.3Å; A246-R250 WeakPolarHBondContact O-CG 3.35Å; A246-R250 PolarHBondContact O-N 2.86Å
247	R	88.5	Confident	75.9	Confident	141 Å²	141	85.5 Å²	85.5	53%	0.532	40%	0.4	S	S	.	.	H	α-helix	trans	-62.9	-51.5	176.9	-162.1	-177.8	74.1	111.1	0.6	111.8	Q243 E244 I245 S249 R250 L251	Q243-R247 PolarHBondContact O-N 3.38Å; E244-R247 PolarHBondContact O-N 2.83Å; E244-R247 IonicContact OE1-CZ 2.72Å; E244-R247 IonicContact OE1-NE 2.82Å; E244-R247 IonicContact OE1-NH2 3.64Å; E244-R247 PolarHBondContact OE1-NH2 2.72Å; E244-R247 IonicContact OE2-CZ 2.77Å; E244-R247 IonicContact OE2-NE 3.38Å; E244-R247 PolarHBondContact OE2-NE 2.73Å; E244-R247 IonicContact OE2-NH2 3.45Å; E244-R247 PolarHBondContact OE2-NH2 2.85Å; I245-R247 PolarHBondContact O-N 3.48Å; R247-S249 PolarHBondContact O-N 3.18Å; R247-R250 PolarHBondContact O-N 2.94Å; R247-L251 PolarHBondContact O-N 3.04Å
248	L	86	Confident	73.3	Confident	14 Å²	14	89.6 Å²	89.6	7%	0.073	41%	0.413	C	S	.	.	H	α-helix	trans	-66.7	-36.1	-178.3	-68.5	174.2	0	0	0	112.8	L191 L194 R195 E244 L251 S252	L191-L248 HydrophobicContact CD1-CD1 3.87Å; L194-L248 HydrophobicContact CB-CB 4.09Å; L194-L248 HydrophobicContact CB-CD1 3.87Å; L194-L248 HydrophobicContact CD1-CB 4.09Å; R195-L248 HydrophobicContact CG-CD1 4.16Å; E244-L248 HydrophobicContact CG-CD1 3.92Å; E244-L248 HydrophobicContact CG-CG 4.26Å; E244-L248 WeakPolarHBondContact O-CB 3.5Å; E244-L248 WeakPolarHBondContact O-CG 3.32Å; E244-L248 PolarHBondContact O-N 2.97Å; L248-L251 HydrophobicContact CD2-CD1 4.49Å; L248-L251 PolarHBondContact O-N 2.89Å; L248-S252 PolarHBondContact O-N 3.44Å
249	S	81.1	Confident	71	Confident	31 Å²	31	92.3 Å²	92.3	22%	0.217	43%	0.429	C	S	.	.	H	α-helix	trans	-64.3	-44.9	177	-61.3	0	0	0	0	112	I245 R247 L251 S252	I245-S249 VanDerWaalsContact O-CB 3.24Å; I245-S249 WeakPolarHBondContact O-CB 3.09Å; I245-S249 PolarHBondContact O-N 3.05Å; I245-S249 PolarHBondContact O-OG 3.04Å; R247-S249 PolarHBondContact O-N 3.18Å; S249-L251 VanDerWaalsContact C-N 3.33Å; S249-L251 PolarHBondContact O-N 3.06Å; S249-S252 PolarHBondContact O-N 3.11Å; S249-S252 PolarHBondContact O-OG 2.84Å
250	R	74.8	Confident	69	Low	196 Å²	196	91.5 Å²	91.5	74%	0.74	43%	0.429	S	S	*	.	H	α-helix	trans	-58.6	-41.3	177.6	-72.4	173.6	-171.3	-164.2	4.3	112.6	A246 R247 S252 N253 H254	A246-R250 VanDerWaalsContact O-CG 3.3Å; A246-R250 WeakPolarHBondContact O-CG 3.35Å; A246-R250 PolarHBondContact O-N 2.86Å; R247-R250 PolarHBondContact O-N 2.94Å; R250-S252 VanDerWaalsContact C-N 3.32Å; R250-S252 PolarHBondContact O-N 3.29Å; R250-N253 PolarHBondContact O-N 3.12Å; R250-H254 PolarHBondContact O-N 3.25Å
251	L	65.2	Low	66.9	Low	87 Å²	87	96.5 Å²	96.5	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-57.8	-41.3	177.9	-81.9	153	0	0	0	112.5	R247 L248 S249 N253 H254 T255	R247-L251 PolarHBondContact O-N 3.04Å; L248-L251 HydrophobicContact CD2-CD1 4.49Å; L248-L251 PolarHBondContact O-N 2.89Å; S249-L251 VanDerWaalsContact C-N 3.33Å; S249-L251 PolarHBondContact O-N 3.06Å; L251-N253 VanDerWaalsContact C-N 3.31Å; L251-N253 PolarHBondContact O-N 3.05Å; L251-H254 PolarHBondContact O-N 2.77Å; L251-T255 PolarHBondContact O-OG1 3Å
252	S	60.4	Low	65	Low	38 Å²	38	98.9 Å²	98.9	27%	0.266	46%	0.457	S	S	.	.	H	α-helix	trans	-64.6	-32.3	180	75.8	0	0	0	0	114	L248 S249 R250	L248-S252 PolarHBondContact O-N 3.44Å; S249-S252 PolarHBondContact O-N 3.11Å; S249-S252 PolarHBondContact O-OG 2.84Å; R250-S252 VanDerWaalsContact C-N 3.32Å; R250-S252 PolarHBondContact O-N 3.29Å
253	N	57	Low	62.9	Low	92 Å²	92	103.1 Å²	103.1	49%	0.492	47%	0.47	S	S	.	.	H	α-helix	trans	-75.7	-28.9	179.1	-74.7	-26.9	0	0	0	111.9	R250 L251 R257	R250-N253 PolarHBondContact O-N 3.12Å; L251-N253 VanDerWaalsContact C-N 3.31Å; L251-N253 PolarHBondContact O-N 3.05Å; N253-R257 PolarHBondContact O-N 3.13Å; N253-R257 VanDerWaalsContact O-N 3.09Å
254	H	47.5	Very low	61.1	Low	140 Å²	140	104.3 Å²	104.3	65%	0.648	47%	0.469	S	S	*	.	H	α-helix	trans	-69	-41	179.3	-151	-76.1	0	0	0	111.9	R250 L251 R257 Y258	R250-H254 PolarHBondContact O-N 3.25Å; L251-H254 PolarHBondContact O-N 2.77Å; H254-R257 PolarHBondContact O-N 3.27Å; H254-Y258 PolarHBondContact O-N 3.25Å
255	T	44.4	Very low	59	Low	84 Å²	84	107.7 Å²	107.7	52%	0.515	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-41.9	175.5	-2.7	0	0	0	0	112.1	L251 R257 Y258 N259	L251-T255 PolarHBondContact O-OG1 3Å; T255-R257 PolarHBondContact O-N 3.22Å; T255-Y258 PolarHBondContact O-N 2.7Å; T255-N259 PolarHBondContact O-N 3.23Å; T255-N259 VanDerWaalsContact O-N 3.1Å
256	R	44	Very low	57.2	Low	174 Å²	174	117.1 Å²	117.1	66%	0.657	52%	0.523	S	S	*	.	H	α-helix	trans	-61.1	-44.5	174.7	-66.9	-174	-164	-160.7	5.3	111.9	Y258 N259 S260	R256-Y258 PolarHBondContact O-N 3.2Å; R256-N259 PolarHBondContact O-N 3.28Å; R256-S260 WeakPolarHBondContact O-CB 3.35Å; R256-S260 PolarHBondContact O-N 2.99Å
257	R	45.3	Very low	55.3	Low	194 Å²	194	120.4 Å²	120.4	73%	0.732	53%	0.532	S	S	*	.	H	α-helix	trans	-61.7	-43.1	177.7	-78.9	-175.6	177	-179.5	-0.3	112.2	N253 H254 T255 S260 R261	N253-R257 PolarHBondContact O-N 3.13Å; N253-R257 VanDerWaalsContact O-N 3.09Å; H254-R257 PolarHBondContact O-N 3.27Å; T255-R257 PolarHBondContact O-N 3.22Å; R257-S260 PolarHBondContact O-N 3.07Å; R257-S260 PolarHBondContact O-OG 2.83Å; R257-R261 PolarHBondContact O-N 3.42Å
258	Y	33.2	Very low	53.5	Low	156 Å²	156	123.4 Å²	123.4	61%	0.612	54%	0.543	S	S	*	.	H	α-helix	trans	-59.9	-51.3	176.9	-169.4	-98.4	0	0	0	112	H254 T255 R256 S260 R261 T262	H254-Y258 PolarHBondContact O-N 3.25Å; T255-Y258 PolarHBondContact O-N 2.7Å; R256-Y258 PolarHBondContact O-N 3.2Å; Y258-S260 VanDerWaalsContact C-N 3.27Å; Y258-S260 PolarHBondContact O-N 2.83Å; Y258-R261 PolarHBondContact O-N 3.09Å; Y258-T262 HydrophobicContact CD1-CG2 4.49Å; Y258-T262 HydrophobicContact CE1-CG2 4.12Å; Y258-T262 PolarHBondContact O-N 3.07Å
259	N	41.3	Very low	51.6	Low	97 Å²	97	129.5 Å²	129.5	52%	0.519	57%	0.574	S	S	.	*	H	α-helix	trans	-62.7	-32	179.6	-66.6	-5.5	0	0	0	112.9	T255 R256 R261 T262 R263	T255-N259 PolarHBondContact O-N 3.23Å; T255-N259 VanDerWaalsContact O-N 3.1Å; R256-N259 PolarHBondContact O-N 3.28Å; N259-R261 VanDerWaalsContact C-N 3.31Å; N259-R261 PolarHBondContact O-N 3.28Å; N259-T262 PolarHBondContact O-OG1 3.04Å; N259-T262 VanDerWaalsContact O-OG1 3.08Å; N259-R263 PolarHBondContact O-N 3.35Å
260	S	47.5	Very low	49.9	Very low	50 Å²	50	133.3 Å²	133.3	35%	0.35	60%	0.596	S	S	.	*	H	α-helix	trans	-73.4	-18.1	176	77.6	0	0	0	0	114.7	R256 R257 Y258 R264	R256-S260 WeakPolarHBondContact O-CB 3.35Å; R256-S260 PolarHBondContact O-N 2.99Å; R257-S260 PolarHBondContact O-N 3.07Å; R257-S260 PolarHBondContact O-OG 2.83Å; Y258-S260 VanDerWaalsContact C-N 3.27Å; Y258-S260 PolarHBondContact O-N 2.83Å; S260-R264 PolarHBondContact O-NE 2.83Å
261	R	46.4	Very low	48	Very low	194 Å²	194	133.3 Å²	133.3	73%	0.732	60%	0.602	S	S	*	*	H	α-helix	trans	-85.1	-43.8	173.2	-84.1	-176.7	166.5	178.4	-4.7	111.3	R257 Y258 N259 R263 R264 N265	R257-R261 PolarHBondContact O-N 3.42Å; Y258-R261 PolarHBondContact O-N 3.09Å; N259-R261 VanDerWaalsContact C-N 3.31Å; N259-R261 PolarHBondContact O-N 3.28Å; R261-R263 VanDerWaalsContact C-N 3.33Å; R261-R263 PolarHBondContact O-N 3.33Å; R261-R264 PolarHBondContact O-N 3.42Å; R261-N265 PolarHBondContact O-N 3.3Å
262	T	50.4	Low	46.9	Very low	74 Å²	74	136 Å²	136	45%	0.454	62%	0.622	S	S	.	*	H	α-helix	trans	-63.5	-37.2	178.7	51.3	0	0	0	0	112.3	Y258 N259 N265 R266	Y258-T262 HydrophobicContact CD1-CG2 4.49Å; Y258-T262 HydrophobicContact CE1-CG2 4.12Å; Y258-T262 PolarHBondContact O-N 3.07Å; N259-T262 PolarHBondContact O-OG1 3.04Å; N259-T262 VanDerWaalsContact O-OG1 3.08Å; T262-N265 PolarHBondContact O-N 3.13Å; T262-R266 PolarHBondContact O-N 3Å
263	R	48	Very low	45.7	Very low	176 Å²	176	138.4 Å²	138.4	66%	0.664	65%	0.653	S	S	*	*	H	α-helix	trans	-63.3	-48	175.4	-167.4	174.3	178.6	160	5.5	113	N259 R261 N265 R266 E267	N259-R263 PolarHBondContact O-N 3.35Å; R261-R263 VanDerWaalsContact C-N 3.33Å; R261-R263 PolarHBondContact O-N 3.33Å; R263-N265 VanDerWaalsContact C-N 3.28Å; R263-N265 PolarHBondContact O-N 2.93Å; R263-R266 WeakPolarHBondContact O-CB 3.36Å; R263-R266 PolarHBondContact O-N 2.77Å; R263-E267 WeakPolarHBondContact CG-OE1 3.48Å; R263-E267 IonicContact NE-OE1 2.73Å; R263-E267 PolarHBondContact NE-OE1 2.68Å; R263-E267 VanDerWaalsContact NE-OE1 3.15Å; R263-E267 PolarHBondContact O-N 2.98Å
264	R	52.8	Low	44.7	Very low	156 Å²	156	137.7 Å²	137.7	59%	0.589	67%	0.667	S	S	*	*	H	α-helix	trans	-64.9	-23.6	179.4	-86.7	-173.4	-76.6	-179.1	-11.1	115.1	S260 R261	S260-R264 PolarHBondContact O-NE 2.83Å; R261-R264 PolarHBondContact O-N 3.42Å
265	N	45.6	Very low	44.1	Very low	114 Å²	114	138.8 Å²	138.8	61%	0.61	68%	0.678	S	S	*	*	H	α-helix	trans	-76.7	-23.8	171.2	-91.6	10.5	0	0	0	112.7	R261 T262 R263	R261-N265 PolarHBondContact O-N 3.3Å; T262-N265 PolarHBondContact O-N 3.13Å; R263-N265 VanDerWaalsContact C-N 3.28Å; R263-N265 PolarHBondContact O-N 2.93Å
266	R	53	Low	43.9	Very low	209 Å²	209	146.1 Å²	146.1	79%	0.789	70%	0.698	S	S	*	*	H	α-helix	trans	-81.2	-36.9	-179.1	-155.9	174.8	-170.2	174.2	2.5	112.4	T262 R263 R268	T262-R266 PolarHBondContact O-N 3Å; R263-R266 WeakPolarHBondContact O-CB 3.36Å; R263-R266 PolarHBondContact O-N 2.77Å; R266-R268 PolarHBondContact O-N 3.27Å
267	E	48.9	Very low	43.6	Very low	111 Å²	111	141.2 Å²	141.2	52%	0.519	70%	0.702	S	S	.	*	G	3₁₀ helix	trans	-70.3	-14.6	179.4	-71.3	157.9	-178.1	0	0	113.5	R263	R263-E267 WeakPolarHBondContact CG-OE1 3.48Å; R263-E267 IonicContact NE-OE1 2.73Å; R263-E267 PolarHBondContact NE-OE1 2.68Å; R263-E267 VanDerWaalsContact NE-OE1 3.15Å; R263-E267 PolarHBondContact O-N 2.98Å
268	R	50.2	Low	43	Very low	204 Å²	204	140.1 Å²	140.1	77%	0.77	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-88.5	2.5	-178.6	-146.6	-173	-64.8	-166.5	-1.3	114.6	R266	R266-R268 PolarHBondContact O-N 3.27Å
269	I	46.9	Very low	43	Very low	142 Å²	142	140.7 Å²	140.7	73%	0.728	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-102.9	-7.1	-172.5	-64.3	175.6	0	0	0	112.4
270	T	44.6	Very low	42.5	Very low	111 Å²	111	146.9 Å²	146.9	68%	0.681	74%	0.738	S	S	*	*			trans	-118.3	52.9	-166	53.7	0	0	0	0	114.2
271	F	35.7	Very low	41.8	Very low	196 Å²	196	148.7 Å²	148.7	86%	0.86	75%	0.751	S	S	*	*			trans	-142.3	71.3	-176.2	-135.4	-79.7	0	0	0	114.7
272	T	41.1	Very low	41.2	Very low	144 Å²	144	144.7 Å²	144.7	88%	0.883	75%	0.752	S	S	*	*			trans	-155	112.5	166	48.1	0	0	0	0	112.8
273	G	35.9	Very low	40.6	Very low	89 Å²	89	147 Å²	147	92%	0.918	77%	0.772	S	S	*	*			trans	79.3	143.6	167.4	0	0	0	0	0	116.6
274	G	35.2	Very low	39.7	Very low	76 Å²	76	142.1 Å²	142.1	78%	0.784	78%	0.776	S	S	*	*			cis	178.1	150.1	-5.1	0	0	0	0	0	110.9
275	D	36.2	Very low	38.9	Very low	163 Å²	163	142.6 Å²	142.6	87%	0.872	79%	0.788	S	S	*	*			trans	-79.7	133.8	-160.9	-58.3	-75.5	0	0	0	118.5
276	Y	40.5	Very low	38.2	Very low	239 Å²	239	146.1 Å²	146.1	94%	0.937	80%	0.799	S	S	*	*			trans	-177.3	154.8	131.1	45.9	-114.7	0	0	0	110.4
277	G	36.7	Very low	37.1	Very low	71 Å²	71	142.2 Å²	142.2	73%	0.732	80%	0.801	S	S	*	*			cis	-171.7	-170.8	-2.2	0	0	0	0	0	110.8
278	L	31.8	Very low	36.5	Very low	170 Å²	170	144.6 Å²	144.6	89%	0.89	82%	0.815	S	S	*	*			trans	-131.1	145	178.8	-71.1	169.2	0	0	0	113.4
279	L	34.2	Very low	35.7	Very low	168 Å²	168	140.8 Å²	140.8	88%	0.88	82%	0.815	S	S	*	*				178.2	149.5	118	-93.6	169.5	0	0	0	115.1
280	R	30	Very low	35.1	Very low	228 Å²	228	139.7 Å²	139.7	86%	0.86	82%	0.816	S	S	*	*			trans	-41.6	160.3	167.9	-84.6	177.4	168.2	-157.2	-3.4	115.8
281	S	32.7	Very low	34.4	Very low	88 Å²	88	140.7 Å²	140.7	62%	0.615	82%	0.822	S	S	*	*			cis	-165.5	158.6	11.6	-112.5	0	0	0	0	112.5
282	S	34.2	Very low	34.4	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	82%	0.822	S	S	*	*			trans	64.6	150.6	150.6	52.4	0	0	0	0	121.6
283	S	37.4	Very low	33.8	Very low	123 Å²	123	138 Å²	138	86%	0.86	82%	0.815	S	S	*	*			trans	79.8	123.8	-177.5	-50.8	0	0	0	0	114.2
284	G	30.7	Very low	33.8	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	81%	0.811	S	S	*	*			trans	-77.6	144.6	-169.9	0	0	0	0	0	113.9
285	I	34.9	Very low	33.7	Very low	165 Å²	165	142.5 Å²	142.5	85%	0.846	81%	0.809	S	S	*	*			trans	-165.2	147.3	152.5	-94.8	142.4	0	0	0	106.6
286	F	30.5	Very low	33.7	Very low	188 Å²	188	140 Å²	140	83%	0.825	80%	0.8	S	S	*	*			trans	-60.1	136.6	-179.9	-61.4	-96.3	0	0	0	112.1	I288	F286-I288 PolarHBondContact O-N 3.18Å
287	P	30.8	Very low	33.5	Very low	128 Å²	128	134.7 Å²	134.7	83%	0.831	79%	0.793	S	S	*	*			trans	-78.2	107.4	176.1	30.6	-32.3	0	0	0	111
288	I	35.6	Very low	33.4	Very low	160 Å²	160	136 Å²	136	82%	0.821	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-86.6	136.3	166.3	-63.3	176.1	0	0	0	108.7	F286	F286-I288 PolarHBondContact O-N 3.18Å
289	V	34.9	Very low	33.5	Very low	125 Å²	125	133.1 Å²	133.1	76%	0.758	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.5	-178.7	178.8	0	0	0	0	110.5
290	P	32.9	Very low	33.5	Very low	118 Å²	118	132 Å²	132	77%	0.766	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-81.5	150.1	-165	30.9	-35.6	0	0	0	115.2
291	T	30.9	Very low	33.5	Very low	132 Å²	132	126 Å²	126	81%	0.81	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-88.6	143	177.8	-55.9	0	0	0	0	112.1
292	I	35.1	Very low	33.6	Very low	165 Å²	165	128.2 Å²	128.2	85%	0.846	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-97.3	132.8	169	-62.3	174.5	0	0	0	109.7
293	T	28.8	Very low	33.4	Very low	119 Å²	119	126.5 Å²	126.5	73%	0.73	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-96.2	139.9	-175.4	-31.7	0	0	0	0	112.1
294	T	35	Very low	32.9	Very low	139 Å²	139	126.2 Å²	126.2	85%	0.853	78%	0.783	S	S	*	*			trans	-143.6	131.4	152.3	24.1	0	0	0	0	111.5
295	T	32.9	Very low	32.7	Very low	121 Å²	121	129.4 Å²	129.4	74%	0.742	78%	0.781	S	S	*	*			trans	-71.2	167.2	174.4	48	0	0	0	0	111.5
296	T	36.2	Very low	32.3	Very low	111 Å²	111	128.3 Å²	128.3	68%	0.681	78%	0.775	S	S	*	*			cis	-167.4	150.8	46.9	41.7	0	0	0	0	112.3
297	T	36.3	Very low	32	Very low	126 Å²	126	127 Å²	127	77%	0.773	77%	0.773	S	S	*	*			trans	50.6	142.1	143.1	59	0	0	0	0	121.3
298	S	35	Very low	31.9	Very low	100 Å²	100	126 Å²	126	70%	0.699	77%	0.767	S	S	*	*			cis	-166.5	138.4	8.9	30	0	0	0	0	112.9
299	S	33.6	Very low	31.5	Very low	109 Å²	109	125.5 Å²	125.5	76%	0.762	77%	0.772	S	S	*	*			trans	33.4	106.8	147.3	62.2	0	0	0	0	121.8
300	V	34.3	Very low	31.1	Very low	143 Å²	143	123.5 Å²	123.5	87%	0.867	76%	0.763	S	S	*	*				-138.6	138.8	119.2	-176.6	0	0	0	0	108
301	S	31.5	Very low	30.8	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	76%	0.763	S	S	*	*	S	Bend	trans	-61.2	141.1	171.3	50.1	0	0	0	0	111.5
302	T	33.2	Very low	30.7	Very low	133 Å²	133	124.6 Å²	124.6	82%	0.816	76%	0.764	S	S	*	*	S	Bend	cis	-143.2	133.8	32.3	43.3	0	0	0	0	111.4
303	G	30.6	Very low	30.4	Very low	74 Å²	74	125.6 Å²	125.6	76%	0.763	77%	0.767	S	S	*	*			trans	67.8	78.4	169.3	0	0	0	0	0	115.3
304	P	26.9	Very low	30.9	Very low	117 Å²	117	124 Å²	124	76%	0.76	76%	0.761	S	S	*	*			trans	-79.6	151.5	175	38.3	-35.2	0	0	0	109.2
305	I	25.9	Very low	31	Very low	141 Å²	141	120.8 Å²	120.8	72%	0.723	75%	0.748	S	S	*	*				-176.1	128.8	76.1	-93	-175.2	0	0	0	110
306	I	27.4	Very low	31.5	Very low	141 Å²	141	116.7 Å²	116.7	72%	0.723	73%	0.731	S	S	*	*			trans	63.5	111.7	142.5	-59.9	178.7	0	0	0	120.7
307	M	24.9	Very low	32.1	Very low	160 Å²	160	112.7 Å²	112.7	79%	0.788	71%	0.707	S	S	*	*	S	Bend		48.2	144.7	127.2	-55.7	-59.8	-147.2	0	0	121.2	T309	M307-T309 PolarHBondContact O-N 3.31Å
308	P	28.2	Very low	32.9	Very low	108 Å²	108	113 Å²	113	70%	0.701	71%	0.708	S	S	*	*			trans	-71.8	102.9	-151.4	28	-36.4	0	0	0	114.6	S310	P308-S310 PolarHBondContact O-N 3Å
309	T	26.1	Very low	33.6	Very low	149 Å²	149	113.1 Å²	113.1	91%	0.914	70%	0.7	S	S	*	*			trans	-71.4	65.5	158.9	54.2	0	0	0	0	110.2	M307	M307-T309 PolarHBondContact O-N 3.31Å
310	S	27.4	Very low	34.7	Very low	83 Å²	83	108.4 Å²	108.4	58%	0.58	67%	0.666	S	S	*	*			trans	-142.6	64.7	-174.2	72	0	0	0	0	113.9	P308	P308-S310 PolarHBondContact O-N 3Å
311	L	26.9	Very low	35.5	Very low	145 Å²	145	106 Å²	106	76%	0.759	66%	0.656	S	S	*	*			trans	-143.4	119.5	143.9	-90.9	117.3	0	0	0	108.8	M313	L311-M313 PolarHBondContact O-N 3.08Å
312	P	28.3	Very low	36.7	Very low	128 Å²	128	102.8 Å²	102.8	83%	0.831	63%	0.628	S	S	*	*			trans	-74.9	116.1	178.8	29.9	-32.2	0	0	0	109.4	S314	P312-S314 PolarHBondContact O-N 2.9Å
313	M	29.9	Very low	36.9	Very low	187 Å²	187	100.2 Å²	100.2	92%	0.921	61%	0.609	S	S	*	*			trans	-73.9	81.4	170	-69.2	-165	72.8	0	0	110	L311	L311-M313 PolarHBondContact O-N 3.08Å
314	S	38.7	Very low	37.2	Very low	86 Å²	86	100.3 Å²	100.3	60%	0.601	60%	0.596	S	S	*	*			trans	18.7	106.8	160.1	57.9	0	0	0	0	117.2	P312 G316	P312-S314 PolarHBondContact O-N 2.9Å; S314-G316 PolarHBondContact O-N 2.84Å; S314-G316 VanDerWaalsContact O-N 3.09Å
315	A	37	Very low	37.4	Very low	70 Å²	70	100.6 Å²	100.6	58%	0.579	60%	0.598	S	S	*	*			trans	-56.9	110.6	171.5	0	0	0	0	0	112	L323	A315-L323 WeakPolarHBondContact O-CD1 3.45Å
316	G	42.7	Very low	37.6	Very low	36 Å²	36	98.6 Å²	98.6	37%	0.371	60%	0.597	S	S	.	*			trans	-165.8	141.8	177.5	0	0	0	0	0	111.3	S314 V318 L323	S314-G316 PolarHBondContact O-N 2.84Å; S314-G316 VanDerWaalsContact O-N 3.09Å; G316-V318 PolarHBondContact O-N 2.88Å; G316-L323 VanDerWaalsContact CA-CD1 3.44Å
317	C	48.9	Very low	37.7	Very low	27 Å²	27	101 Å²	101	18%	0.182	60%	0.598	C	S	.	*			trans	-72.5	119.1	-179.3	177.7	0	0	0	0	112	I319 C320 S321 C352 H355	C317-I319 VanDerWaalsContact C-N 3.29Å; C317-I319 PolarHBondContact O-N 2.88Å; C317-C320 PolarHBondContact O-N 2.89Å; C317-C320 PolarHBondContact O-SG 2.83Å; C317-S321 PolarHBondContact O-N 2.8Å; C317-S321 VanDerWaalsContact O-N 3.09Å; C317-C352 HydrophobicContact CB-CB 3.87Å; C317-C352 WeakPolarHBondContact CB-SG 3.17Å; C317-H355 PolarHBondContact SG-CE1 3.06Å; C317-H355 PolarHBondContact SG-NE2 3.28Å
318	V	52.7	Low	38	Very low	131 Å²	131	101.1 Å²	101.1	79%	0.794	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-39	-179.3	-176.1	0	0	0	0	112.3	G316 C320 S321	G316-V318 PolarHBondContact O-N 2.88Å; V318-C320 PolarHBondContact O-N 2.83Å; V318-S321 PolarHBondContact O-OG 2.85Å
319	I	51.4	Low	38.1	Very low	104 Å²	104	107 Å²	107	53%	0.533	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	-42.5	-175.7	-62.1	169.8	0	0	0	111.1	C317 P364	C317-I319 VanDerWaalsContact C-N 3.29Å; C317-I319 PolarHBondContact O-N 2.88Å; I319-P364 HydrophobicContact CG2-CB 4.12Å; I319-P364 HydrophobicContact CG2-CG 4.26Å; I319-P364 WeakPolarHBondContact O-CG 3.09Å
320	C	55.2	Low	38.4	Very low	9 Å²	9	111.2 Å²	111.2	6%	0.061	61%	0.609	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-19.9	-172.3	77.8	0	0	0	0	113.5	C317 V318 W322	C317-C320 PolarHBondContact O-N 2.89Å; C317-C320 PolarHBondContact O-SG 2.83Å; V318-C320 PolarHBondContact O-N 2.83Å; C320-W322 HydrophobicContact CB-CG 4.21Å; C320-W322 PolarHBondContact O-N 2.78Å
321	S	52	Low	38.4	Very low	93 Å²	93	110.7 Å²	110.7	65%	0.65	62%	0.617	S	S	*	*			trans	52.9	27.1	176.1	-64.2	0	0	0	0	114.3	C317 V318 L323	C317-S321 PolarHBondContact O-N 2.8Å; C317-S321 VanDerWaalsContact O-N 3.09Å; V318-S321 PolarHBondContact O-OG 2.85Å; S321-L323 PolarHBondContact O-N 2.79Å
322	W	56.4	Low	38.6	Very low	37 Å²	37	112 Å²	112	14%	0.14	63%	0.625	C	S	.	*			trans	-84.5	58.7	-178.2	-61.6	128.6	0	0	0	111.7	C320 I349 P364 M365 N395	C320-W322 HydrophobicContact CB-CG 4.21Å; C320-W322 PolarHBondContact O-N 2.78Å; W322-I349 HydrophobicContact CB-CD1 4.07Å; W322-P364 WeakPolarHBondContact CZ2-O 3.25Å; W322-P364 PolarHBondContact NE1-O 3.38Å; W322-P364 VanDerWaalsContact NE1-O 3.14Å; W322-M365 HydrophobicContact CZ2-CB 4.3Å; W322-N395 HydrophobicContact CE3-CB 4.31Å; W322-N395 HydrophobicContact CH2-CB 3.72Å; W322-N395 WeakPolarHBondContact CH2-ND2 3.37Å; W322-N395 HydrophobicContact CZ2-CB 4.43Å; W322-N395 HydrophobicContact CZ3-CB 3.66Å; W322-N395 VanDerWaalsContact CZ3-ND2 3.26Å; W322-N395 WeakPolarHBondContact CZ3-ND2 3.46Å; W322-N395 WeakPolarHBondContact CZ3-OD1 3.2Å
323	L	38.3	Very low	38.9	Very low	79 Å²	79	111.5 Å²	111.5	41%	0.414	62%	0.624	S	S	.	*	S	Bend	trans	-152.1	131	171.2	-100.1	140.4	0	0	0	109.5	A315 G316 S321	A315-L323 WeakPolarHBondContact O-CD1 3.45Å; G316-L323 VanDerWaalsContact CA-CD1 3.44Å; S321-L323 PolarHBondContact O-N 2.79Å
324	P	35.3	Very low	38.8	Very low	75 Å²	75	110.2 Å²	110.2	49%	0.487	62%	0.618	S	S	.	*			trans	-67.8	147.5	170.1	26.3	-31.3	0	0	0	111	S326 Y397	P324-S326 PolarHBondContact O-N 3.13Å; P324-Y397 WeakPolarHBondContact CB-OH 3.21Å
325	P	31	Very low	38.5	Very low	124 Å²	124	113.1 Å²	113.1	81%	0.805	63%	0.632	S	S	*	*			trans	-63.1	120.4	169.6	27.6	-32.9	0	0	0	109.1	Y327	P325-Y327 VanDerWaalsContact C-N 3.26Å; P325-Y327 PolarHBondContact O-N 3.43Å
326	S	30.3	Very low	38.1	Very low	99 Å²	99	115.2 Å²	115.2	69%	0.692	64%	0.643	S	S	*	*			trans	-80	65	-172.5	60.4	0	0	0	0	112.9	P324	P324-S326 PolarHBondContact O-N 3.13Å
327	Y	29.2	Very low	37.5	Very low	190 Å²	190	121.3 Å²	121.3	75%	0.745	67%	0.665	S	S	*	*			trans	-143.5	102.2	171.4	-85.6	-84.7	0	0	0	111.4	P325	P325-Y327 VanDerWaalsContact C-N 3.26Å; P325-Y327 PolarHBondContact O-N 3.43Å
328	D	31.9	Very low	36.8	Very low	164 Å²	164	125.1 Å²	125.1	88%	0.877	69%	0.692	S	S	*	*			trans	-150.6	113.4	135.1	-123.8	-30.7	0	0	0	112.3	R330	D328-R330 PolarHBondContact O-N 2.79Å
329	R	29.7	Very low	35.6	Very low	232 Å²	232	123.1 Å²	123.1	88%	0.875	70%	0.698	S	S	*	*			trans	-86.5	87.9	170.8	-78.5	-167.6	-174.8	-154.3	6.6	108.9
330	R	32.6	Very low	34.6	Very low	237 Å²	237	124.9 Å²	124.9	89%	0.894	71%	0.707	S	S	*	*			trans	-177.7	123.7	147.7	-94.5	138.8	-152.8	-105.9	8.6	108.3	D328	D328-R330 PolarHBondContact O-N 2.79Å
331	G	27.8	Very low	33.2	Very low	72 Å²	72	130.3 Å²	130.3	74%	0.742	74%	0.74	S	S	*	*			trans	-69.3	139.7	172.9	0	0	0	0	0	111
332	N	32.5	Very low	32.1	Very low	172 Å²	172	133.8 Å²	133.8	92%	0.92	75%	0.75	S	S	*	*			trans	-156.2	152.1	135.7	-103.4	-15	0	0	0	110.3
333	S	32.8	Very low	30.6	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	77%	0.772	S	S	*	*			trans	-80	164.5	-161.4	-158.5	0	0	0	0	114.6
334	M	28	Very low	30.2	Very low	160 Å²	160	139 Å²	139	79%	0.788	79%	0.788	S	S	*	*			trans	-64.8	153	-177.9	-55.1	-111.6	80.3	0	0	113.4
335	T	33.1	Very low	30.1	Very low	147 Å²	147	143.8 Å²	143.8	90%	0.902	80%	0.804	S	S	*	*			trans	-127.9	149.1	144.1	49.5	0	0	0	0	110.4
336	S	28.6	Very low	30.2	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	80%	0.795	S	S	*	*			trans	-101.4	148.7	-154.1	46.8	0	0	0	0	114.7
337	I	30.2	Very low	30.6	Very low	164 Å²	164	139 Å²	139	84%	0.841	78%	0.781	S	S	*	*			trans	-136.8	123.2	147.2	-81.8	-176.1	0	0	0	109.2
338	S	33.4	Very low	31	Very low	107 Å²	107	139.3 Å²	139.3	75%	0.748	78%	0.781	S	S	*	*	S	Bend	trans	58.5	85.8	158.2	-57.2	0	0	0	0	120.8	I340	S338-I340 PolarHBondContact O-N 2.6Å
339	G	28.9	Very low	31.7	Very low	89 Å²	89	132.5 Å²	132.5	92%	0.918	74%	0.744	S	S	*	*	S	Bend		87.5	3.7	125.1	0	0	0	0	0	119.4
340	I	29.4	Very low	32.3	Very low	140 Å²	140	128.9 Å²	128.9	72%	0.718	74%	0.737	S	S	*	*			trans	-119.2	113.8	171	-49.8	178.3	0	0	0	108.3	S338 L342	S338-I340 PolarHBondContact O-N 2.6Å; I340-L342 PolarHBondContact O-N 3.21Å
341	T	26.1	Very low	33.1	Very low	124 Å²	124	125.8 Å²	125.8	76%	0.761	73%	0.733	S	S	*	*			trans	-69	97	170.8	45.3	0	0	0	0	109	S343	T341-S343 PolarHBondContact O-N 3.02Å
342	L	27.8	Very low	34.4	Very low	165 Å²	165	123.1 Å²	123.1	86%	0.864	70%	0.703	S	S	*	*			trans	-72.4	63.8	169.3	-82.3	145.6	0	0	0	110.4	I340	I340-L342 PolarHBondContact O-N 3.21Å
343	S	26.8	Very low	35.6	Very low	87 Å²	87	119.3 Å²	119.3	61%	0.608	69%	0.69	S	S	*	*			trans	-90.9	129.8	161.1	49.8	0	0	0	0	108.6	T341	T341-S343 PolarHBondContact O-N 3.02Å
344	D	29	Very low	37	Very low	140 Å²	140	115.4 Å²	115.4	75%	0.749	67%	0.665	S	S	*	*	S	Bend	trans	64.6	109.9	-179.6	-66.3	-42.3	0	0	0	118.1
345	H	33	Very low	39.1	Very low	175 Å²	175	110.1 Å²	110.1	81%	0.81	64%	0.638	S	S	*	*			trans	25.9	100.1	138	-54.5	-63.4	0	0	0	117.5
346	G	34.3	Very low	41	Very low	61 Å²	61	104.1 Å²	104.1	63%	0.629	60%	0.602	S	S	*	*			trans	-52.7	145.8	170.5	0	0	0	0	0	112.6	R348	G346-R348 PolarHBondContact O-N 3.43Å
347	P	38.7	Very low	43.5	Very low	60 Å²	60	105.4 Å²	105.4	39%	0.39	59%	0.59	S	S	.	*			trans	-64.5	128.3	-164.2	24.9	-34.5	0	0	0	111.9	I349 I372	P347-I349 PolarHBondContact O-N 3.33Å; P347-I372 HydrophobicContact CB-CG2 4.3Å
348	R	36.8	Very low	46.1	Very low	198 Å²	198	97.6 Å²	97.6	75%	0.747	55%	0.55	S	S	*	*			trans	-68.9	115.9	164.7	-64.4	-176	-177.5	-155.1	0.7	107.6	G346 E350	G346-R348 PolarHBondContact O-N 3.43Å; R348-E350 VanDerWaalsContact C-N 3.35Å; R348-E350 PolarHBondContact O-N 3.29Å; R348-E350 VanDerWaalsContact O-N 3.08Å
349	I	45.6	Very low	48.6	Very low	21 Å²	21	95.1 Å²	95.1	11%	0.108	53%	0.531	C	S	.	.			trans	-81.6	90.8	173	-53.5	162.9	0	0	0	107.5	W322 P347 E351 C352 P366 T370	W322-I349 HydrophobicContact CB-CD1 4.07Å; P347-I349 PolarHBondContact O-N 3.33Å; I349-E351 PolarHBondContact O-N 2.59Å; I349-C352 WeakPolarHBondContact CG2-SG 3.04Å; I349-P366 HydrophobicContact CD1-CG 3.82Å; I349-T370 HydrophobicContact CG2-CG2 4.5Å
350	E	43.9	Very low	51.3	Low	155 Å²	155	92.9 Å²	92.9	72%	0.724	50%	0.5	S	S	*	.			trans	-67.4	107.1	166.1	-64.2	-175.5	171	0	0	107.6	R348	R348-E350 VanDerWaalsContact C-N 3.35Å; R348-E350 PolarHBondContact O-N 3.29Å; R348-E350 VanDerWaalsContact O-N 3.08Å
351	E	48.7	Very low	53.9	Low	173 Å²	173	87.2 Å²	87.2	81%	0.808	47%	0.473	S	S	*	.			trans	52.6	94.4	175.6	-59	-172.8	173.9	0	0	116.8	I349 S353	I349-E351 PolarHBondContact O-N 2.59Å; E351-S353 PolarHBondContact O-N 3.23Å
352	C	55.3	Low	56.6	Low	16 Å²	16	85.4 Å²	85.4	11%	0.108	46%	0.458	C	S	.	.			trans	-63.2	95.9	166.1	-63.8	0	0	0	0	111.2	C317 I349 A354 H355	C317-C352 HydrophobicContact CB-CB 3.87Å; C317-C352 WeakPolarHBondContact CB-SG 3.17Å; I349-C352 WeakPolarHBondContact CG2-SG 3.04Å; C352-A354 VanDerWaalsContact C-N 3.26Å; C352-A354 PolarHBondContact O-N 3.25Å; C352-H355 WeakPolarHBondContact CB-CE1 3.43Å; C352-H355 WeakPolarHBondContact CB-NE2 3.41Å
353	S	56.5	Low	58.9	Low	92 Å²	92	83.6 Å²	83.6	64%	0.643	44%	0.44	S	S	*	.	S	Bend	trans	-65.4	-22.9	-179.7	50.1	0	0	0	0	114.7	E351	E351-S353 PolarHBondContact O-N 3.23Å
354	A	63	Low	61.1	Low	36 Å²	36	80.8 Å²	80.8	30%	0.298	42%	0.42	S	S	.	.			trans	-154.5	157.4	169.5	0	0	0	0	0	111	C352 S367	C352-A354 VanDerWaalsContact C-N 3.26Å; C352-A354 PolarHBondContact O-N 3.25Å; A354-S367 WeakPolarHBondContact O-CB 3.44Å; A354-S367 PolarHBondContact O-N 2.92Å
355	H	71.1	Confident	63.2	Low	48 Å²	48	74.1 Å²	74.1	22%	0.222	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.5	177.7	-63.4	88	0	0	0	111.8	C317 C352 M365	C317-H355 PolarHBondContact SG-CE1 3.06Å; C317-H355 PolarHBondContact SG-NE2 3.28Å; C352-H355 WeakPolarHBondContact CB-CE1 3.43Å; C352-H355 WeakPolarHBondContact CB-NE2 3.41Å; H355-M365 CarbonylContact C-O 3.5Å; H355-M365 VanDerWaalsContact CA-O 3.23Å; H355-M365 WeakPolarHBondContact CA-O 3.47Å
356	C	73.2	Confident	64.9	Low	22 Å²	22	66.2 Å²	66.2	15%	0.149	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	170.5	163.5	63.9	0	0	0	0	109.6	P364 M365	C356-P364 CarbonylContact O-C 3.55Å; C356-P364 WeakPolarHBondContact O-CA 3.1Å; C356-M365 PolarHBondContact N-O 3.09Å; C356-M365 PolarHBondContact O-N 2.72Å; C356-M365 WeakPolarHBondContact SG-CE 3.42Å
357	Y	81.7	Confident	66.4	Low	141 Å²	141	64.9 Å²	64.9	55%	0.553	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.4	-177.4	-67.5	-87.4	0	0	0	111.1	T359 N362 P364 T389	Y357-T359 PolarHBondContact O-N 3.19Å; Y357-N362 WeakPolarHBondContact CD1-O 2.87Å; Y357-P364 HydrophobicContact CD1-CB 4.33Å; Y357-P364 HydrophobicContact CE1-CB 4.02Å; Y357-T389 PolarHBondContact O-OG1 2.95Å
358	C	84.7	Confident	67.2	Low	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.339	C	S	.	.			trans	-74	114	167.6	174.7	0	0	0	0	110.1	C360 C361 N362 R363 M365 C391	C358-C360 PolarHBondContact O-N 3.39Å; C358-C361 VanDerWaalsContact CB-SG 3.56Å; C358-C361 PolarHBondContact O-N 3.37Å; C358-C361 VanDerWaalsContact O-N 3.16Å; C358-N362 VanDerWaalsContact O-CA 3.27Å; C358-N362 WeakPolarHBondContact O-CA 3.44Å; C358-N362 PolarHBondContact O-N 3.43Å; C358-N362 PolarHBondContact O-OD1 3.03Å; C358-R363 PolarHBondContact N-O 3.18Å; C358-M365 HydrophobicContact CB-SD 4.38Å; C358-C391 HydrophobicContact CB-CB 3.78Å; C358-C391 PolarHBondContact SG-N 2.79Å
359	T	86.1	Confident	67.7	Low	55 Å²	55	64.5 Å²	64.5	34%	0.337	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.9	178.4	-49	0	0	0	0	113.9	Y357 R388 T389 F390	Y357-T359 PolarHBondContact O-N 3.19Å; T359-R388 HydrophobicContact CG2-CB 4.29Å; T359-T389 WeakPolarHBondContact CB-O 3.29Å; T359-T389 PolarHBondContact N-O 3Å; T359-T389 PolarHBondContact OG1-O 3.02Å; T359-F390 HydrophobicContact CG2-CE1 4.21Å; T359-F390 HydrophobicContact CG2-CZ 4.19Å
360	C	84.8	Confident	67.5	Low	41 Å²	41	64.8 Å²	64.8	28%	0.277	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-30.7	-179.1	-172.6	0	0	0	0	114.5	C358 F390 T401 C406	C358-C360 PolarHBondContact O-N 3.39Å; C360-F390 HydrophobicContact CB-CD1 4.11Å; C360-F390 HydrophobicContact CB-CE1 4.28Å; C360-T401 WeakPolarHBondContact O-CB 3.5Å; C360-T401 WeakPolarHBondContact O-CG2 3.45Å; C360-T401 PolarHBondContact O-OG1 3.43Å; C360-C406 HydrophobicContact CB-CB 3.41Å; C360-C406 VanDerWaalsContact CB-CB 3.41Å
361	C	84.7	Confident	67.3	Low	21 Å²	21	62.4 Å²	62.4	14%	0.142	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-1	-176.3	66.2	0	0	0	0	114.6	C358 R363 T401	C358-C361 VanDerWaalsContact CB-SG 3.56Å; C358-C361 PolarHBondContact O-N 3.37Å; C358-C361 VanDerWaalsContact O-N 3.16Å; C361-R363 HydrophobicContact CB-CG 4.43Å; C361-R363 PolarHBondContact O-N 2.88Å; C361-T401 WeakPolarHBondContact CA-OG1 3.16Å; C361-T401 WeakPolarHBondContact CB-OG1 3.47Å
362	N	82.5	Confident	67.1	Low	86 Å²	86	55.7 Å²	55.7	46%	0.46	30%	0.299	S	S	.	.			trans	49.9	24.2	-175.4	-64.2	-11.1	0	0	0	114.7	L126 Y357 C358	L126-N362 WeakPolarHBondContact CD1-ND2 3.18Å; Y357-N362 WeakPolarHBondContact CD1-O 2.87Å; C358-N362 VanDerWaalsContact O-CA 3.27Å; C358-N362 WeakPolarHBondContact O-CA 3.44Å; C358-N362 PolarHBondContact O-N 3.43Å; C358-N362 PolarHBondContact O-OD1 3.03Å
363	R	75.8	Confident	66.4	Low	128 Å²	128	60.8 Å²	60.8	48%	0.483	33%	0.332	S	S	.	.			trans	-81.6	140.4	170.1	-64.4	-172	-177.1	-133.1	-2.1	110.6	C358 C361 S400	C358-R363 PolarHBondContact N-O 3.18Å; C361-R363 HydrophobicContact CB-CG 4.43Å; C361-R363 PolarHBondContact O-N 2.88Å; R363-S400 PolarHBondContact NE-OG 3.34Å; R363-S400 VanDerWaalsContact NE-OG 3.12Å
364	P	73.7	Confident	65.7	Low	28 Å²	28	63.3 Å²	63.3	18%	0.182	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	143.9	174	28.3	-34.3	0	0	0	111.4	I319 W322 C356 Y357	I319-P364 HydrophobicContact CG2-CB 4.12Å; I319-P364 HydrophobicContact CG2-CG 4.26Å; I319-P364 WeakPolarHBondContact O-CG 3.09Å; W322-P364 WeakPolarHBondContact CZ2-O 3.25Å; W322-P364 PolarHBondContact NE1-O 3.38Å; W322-P364 VanDerWaalsContact NE1-O 3.14Å; C356-P364 CarbonylContact O-C 3.55Å; C356-P364 WeakPolarHBondContact O-CA 3.1Å; Y357-P364 HydrophobicContact CD1-CB 4.33Å; Y357-P364 HydrophobicContact CE1-CB 4.02Å
365	M	73	Confident	64.6	Low	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160.4	176.9	67.8	-176.4	-164.5	0	0	110.7	W322 H355 C356 C358 S367 T381 T389 F390 C391	W322-M365 HydrophobicContact CZ2-CB 4.3Å; H355-M365 CarbonylContact C-O 3.5Å; H355-M365 VanDerWaalsContact CA-O 3.23Å; H355-M365 WeakPolarHBondContact CA-O 3.47Å; C356-M365 PolarHBondContact N-O 3.09Å; C356-M365 PolarHBondContact O-N 2.72Å; C356-M365 WeakPolarHBondContact SG-CE 3.42Å; C358-M365 HydrophobicContact CB-SD 4.38Å; M365-S367 PolarHBondContact O-N 3.12Å; M365-T381 HydrophobicContact CE-CG2 4.48Å; M365-T389 HydrophobicContact CE-CG2 4.41Å; M365-F390 VanDerWaalsContact SD-C 3.57Å; M365-C391 WeakPolarHBondContact SD-CA 3.33Å; M365-C391 HydrophobicContact SD-CB 3.69Å
366	P	67.9	Low	63.1	Low	9 Å²	9	70.8 Å²	70.8	6%	0.058	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	135.1	177.1	-23.9	32.7	0	0	0	111.9	I349 V394	I349-P366 HydrophobicContact CD1-CG 3.82Å; P366-V394 HydrophobicContact CG-CG1 4.42Å
367	S	66.1	Low	61.6	Low	32 Å²	32	73.2 Å²	73.2	22%	0.224	39%	0.393	C	S	.	.			trans	-77.8	167.7	176.9	-165	0	0	0	0	111.9	A354 M365 T369 T370	A354-S367 WeakPolarHBondContact O-CB 3.44Å; A354-S367 PolarHBondContact O-N 2.92Å; M365-S367 PolarHBondContact O-N 3.12Å; S367-T369 PolarHBondContact O-N 3.13Å; S367-T370 PolarHBondContact O-N 2.92Å; S367-T370 PolarHBondContact O-OG1 3.4Å
368	R	56.8	Low	60	Low	155 Å²	155	69.6 Å²	69.6	59%	0.585	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-17.7	-174.2	-77.8	157.7	129.3	-119.6	10.6	115.7	E382	R368-E382 IonicContact CZ-OE2 3.04Å; R368-E382 IonicContact NE-OE2 2.68Å; R368-E382 PolarHBondContact NE-OE2 2.8Å; R368-E382 IonicContact NH2-OE1 2.78Å; R368-E382 PolarHBondContact NH2-OE1 2.82Å; R368-E382 IonicContact NH2-OE2 3.75Å; R368-E382 PolarHBondContact NH2-OE2 3.19Å
369	T	45.7	Very low	58.4	Low	96 Å²	96	72.5 Å²	72.5	59%	0.589	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-13	-179.7	40	0	0	0	0	114.6	S367 T371	S367-T369 PolarHBondContact O-N 3.13Å; T369-T371 PolarHBondContact O-N 3.48Å
370	T	42.5	Very low	57.4	Low	26 Å²	26	76.3 Å²	76.3	16%	0.16	41%	0.406	C	S	.	.			trans	-79.4	86.3	175.2	-42.8	0	0	0	0	109.7	I349 S367 I372	I349-T370 HydrophobicContact CG2-CG2 4.5Å; S367-T370 PolarHBondContact O-N 2.92Å; S367-T370 PolarHBondContact O-OG1 3.4Å; T370-I372 PolarHBondContact O-N 3.12Å
371	T	39.8	Very low	57	Low	106 Å²	106	75 Å²	75	65%	0.65	40%	0.397	S	S	*	.			trans	-62.9	98.9	167.7	37.3	0	0	0	0	109.5	T369 P373	T369-T371 PolarHBondContact O-N 3.48Å; T371-P373 WeakPolarHBondContact O-CD 3.42Å
372	I	43.5	Very low	57	Low	31 Å²	31	74.6 Å²	74.6	16%	0.159	39%	0.393	C	S	.	.			trans	-72.4	109	171	-57.4	172.9	0	0	0	106.8	P347 T370 Q374 L375	P347-I372 HydrophobicContact CB-CG2 4.3Å; T370-I372 PolarHBondContact O-N 3.12Å; I372-Q374 PolarHBondContact O-N 3.12Å; I372-L375 HydrophobicContact CB-CB 4.37Å; I372-L375 HydrophobicContact CG2-CB 4.44Å; I372-L375 HydrophobicContact CG2-CD1 4.01Å; I372-L375 PolarHBondContact O-N 3.4Å
373	P	40.7	Very low	57.2	Low	123 Å²	123	70.5 Å²	70.5	80%	0.799	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.9	-166.9	-22	35.4	0	0	0	114.5	T371	T371-P373 WeakPolarHBondContact O-CD 3.42Å
374	Q	41.5	Very low	57.7	Low	146 Å²	146	65.9 Å²	65.9	68%	0.682	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-10.7	-175.4	-66.5	169	-16.9	0	0	113.2	I372 H376	I372-Q374 PolarHBondContact O-N 3.12Å; Q374-H376 PolarHBondContact O-N 2.74Å
375	L	41	Very low	58.2	Low	59 Å²	59	65.9 Å²	65.9	31%	0.309	35%	0.354	S	S	.	.	S	Bend	trans	-87.5	89.3	169.2	-100.6	74.1	0	0	0	109.6	I372 G377 I378	I372-L375 HydrophobicContact CB-CB 4.37Å; I372-L375 HydrophobicContact CG2-CB 4.44Å; I372-L375 HydrophobicContact CG2-CD1 4.01Å; I372-L375 PolarHBondContact O-N 3.4Å; L375-G377 PolarHBondContact O-N 2.75Å; L375-I378 HydrophobicContact CD2-CB 4.36Å
376	H	38.6	Very low	58.9	Low	181 Å²	181	68.1 Å²	68.1	84%	0.838	37%	0.369	S	S	*	.	S	Bend	trans	-54.4	97.1	171.6	-70.6	91.6	0	0	0	111.2	Q374 I378	Q374-H376 PolarHBondContact O-N 2.74Å; H376-I378 PolarHBondContact O-N 2.84Å
377	G	42.8	Very low	59.7	Low	74 Å²	74	74.8 Å²	74.8	76%	0.763	39%	0.393	S	S	*	.	S	Bend	trans	81.9	-10	169.9	0	0	0	0	0	118	L375 N379	L375-G377 PolarHBondContact O-N 2.75Å; G377-N379 PolarHBondContact O-N 3.21Å
378	I	48.3	Very low	60.6	Low	65 Å²	65	79.1 Å²	79.1	33%	0.333	41%	0.405	S	S	.	.			trans	-100.4	45.7	-173.1	-37.9	179.8	0	0	0	112.7	L375 H376 R380 L393	L375-I378 HydrophobicContact CD2-CB 4.36Å; H376-I378 PolarHBondContact O-N 2.84Å; I378-R380 PolarHBondContact O-N 2.93Å; I378-L393 HydrophobicContact CG2-CD1 4.14Å
379	N	50.6	Low	62.1	Low	60 Å²	60	73.1 Å²	73.1	32%	0.321	39%	0.385	S	S	.	.			trans	-82.7	26.9	171.3	-71.1	-25.8	0	0	0	112.9	G377	G377-N379 PolarHBondContact O-N 3.21Å
380	R	65.1	Low	64	Low	135 Å²	135	69.2 Å²	69.2	51%	0.509	36%	0.36	S	S	.	.			trans	-108.5	100.3	-178.4	-70	-172.3	178.6	-155.9	-2.9	110.2	I378 E382 E384 L473	I378-R380 PolarHBondContact O-N 2.93Å; R380-E382 VanDerWaalsContact C-N 3.35Å; R380-E384 IonicContact CZ-OE1 2.63Å; R380-E384 IonicContact NH1-OE1 3.44Å; R380-E384 PolarHBondContact NH1-OE1 3.08Å; R380-L473 HydrophobicContact CB-CD1 3.61Å; R380-L473 VanDerWaalsContact O-CD1 3.23Å; R380-L473 WeakPolarHBondContact O-CD1 3.26Å
381	T	76	Confident	65.9	Low	14 Å²	14	68 Å²	68	9%	0.086	35%	0.353	C	S	.	.			trans	-96.7	12.4	176.5	61.9	0	0	0	0	112.5	M365 T389 F390 V394	M365-T381 HydrophobicContact CE-CG2 4.48Å; T381-T389 CarbonylContact O-C 3.57Å; T381-T389 WeakPolarHBondContact O-CA 3.43Å; T381-F390 PolarHBondContact O-N 3.29Å; T381-V394 HydrophobicContact CG2-CG2 3.37Å
382	E	84.6	Confident	67.9	Low	12 Å²	12	63.7 Å²	63.7	6%	0.056	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-118.2	157.8	-175.6	73.5	-174.2	-146.6	0	0	112.9	R368 R380 R387 R388 T389	R368-E382 IonicContact CZ-OE2 3.04Å; R368-E382 IonicContact NE-OE2 2.68Å; R368-E382 PolarHBondContact NE-OE2 2.8Å; R368-E382 IonicContact NH2-OE1 2.78Å; R368-E382 PolarHBondContact NH2-OE1 2.82Å; R368-E382 IonicContact NH2-OE2 3.75Å; R368-E382 PolarHBondContact NH2-OE2 3.19Å; R380-E382 VanDerWaalsContact C-N 3.35Å; E382-R387 VanDerWaalsContact OE1-CD 3.31Å; E382-R387 WeakPolarHBondContact OE1-CD 3.28Å; E382-R387 IonicContact OE1-CZ 3.93Å; E382-R387 IonicContact OE1-NE 2.7Å; E382-R387 IonicContact OE1-NH1 3.94Å; E382-R387 PolarHBondContact OE1-NH1 3.07Å; E382-R388 VanDerWaalsContact CA-O 3.24Å; E382-R388 WeakPolarHBondContact CA-O 3.26Å; E382-T389 HydrophobicContact CB-CG2 4.38Å
383	C	87.1	Confident	69.4	Low	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.337	C	S	.	.			trans	-78.2	128.5	166	175.7	0	0	0	0	110.7	V385 R387 R388 F390 L407 L473 C475	C383-V385 PolarHBondContact O-N 2.99Å; C383-V385 PolarHBondContact SG-N 2.84Å; C383-V385 VanDerWaalsContact SG-N 3.43Å; C383-R387 WeakPolarHBondContact O-CA 3.44Å; C383-R387 PolarHBondContact O-N 3.18Å; C383-R388 PolarHBondContact N-O 2.89Å; C383-F390 HydrophobicContact CB-CD2 4.49Å; C383-F390 HydrophobicContact CB-CE2 4.06Å; C383-L407 HydrophobicContact CB-CD1 4.12Å; C383-L473 WeakPolarHBondContact CA-O 3.45Å; C383-C475 HydrophobicContact CB-CB 3.84Å; C383-C475 PolarHBondContact SG-N 2.93Å
384	E	85.8	Confident	70.9	Confident	32 Å²	32	61.3 Å²	61.3	15%	0.15	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.3	179.7	-64.8	-176.6	171.8	0	0	113	R380 L468 S472 L473	R380-E384 IonicContact CZ-OE1 2.63Å; R380-E384 IonicContact NH1-OE1 3.44Å; R380-E384 PolarHBondContact NH1-OE1 3.08Å; E384-L468 HydrophobicContact CB-CD2 4.41Å; E384-S472 WeakPolarHBondContact OE2-CA 3.44Å; E384-S472 WeakPolarHBondContact OE2-CB 3.46Å; E384-S472 PolarHBondContact OE2-OG 3.24Å; E384-L473 PolarHBondContact N-O 3.11Å
385	V	84.6	Confident	72.3	Confident	28 Å²	28	54.9 Å²	54.9	17%	0.17	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-52.4	178.8	-174.5	0	0	0	0	112.5	C383 I462 L468 I474 C478	C383-V385 PolarHBondContact O-N 2.99Å; C383-V385 PolarHBondContact SG-N 2.84Å; C383-V385 VanDerWaalsContact SG-N 3.43Å; V385-I462 HydrophobicContact CG1-CG2 4.14Å; V385-I462 HydrophobicContact CG2-CD1 4.32Å; V385-L468 HydrophobicContact CG2-CD1 3.95Å; V385-L468 HydrophobicContact CG2-CD2 3.92Å; V385-L468 HydrophobicContact CG2-CG 4.44Å; V385-I474 HydrophobicContact CG2-CD1 3.98Å; V385-I474 HydrophobicContact CG2-CG1 4.14Å; V385-C478 HydrophobicContact CB-CB 4.08Å; V385-C478 HydrophobicContact CG1-CB 4.32Å; V385-C478 HydrophobicContact CG2-CB 4.27Å
386	C	86.9	Confident	73.6	Confident	47 Å²	47	57 Å²	57	32%	0.318	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	0.7	-172.3	69.3	0	0	0	0	114.8	R388 C475	C386-R388 PolarHBondContact O-N 2.93Å; C386-C475 VanDerWaalsContact SG-SG 3.64Å
387	R	86.3	Confident	75	Confident	148 Å²	148	56.7 Å²	56.7	56%	0.558	29%	0.289	S	S	*	.			trans	57	1	179	-55.9	-57.2	-174.2	143.5	5.8	116.9	E382 C383	E382-R387 VanDerWaalsContact OE1-CD 3.31Å; E382-R387 WeakPolarHBondContact OE1-CD 3.28Å; E382-R387 IonicContact OE1-CZ 3.93Å; E382-R387 IonicContact OE1-NE 2.7Å; E382-R387 IonicContact OE1-NH1 3.94Å; E382-R387 PolarHBondContact OE1-NH1 3.07Å; C383-R387 WeakPolarHBondContact O-CA 3.44Å; C383-R387 PolarHBondContact O-N 3.18Å
388	R	84.9	Confident	76.5	Confident	124 Å²	124	53.8 Å²	53.8	47%	0.468	26%	0.259	S	S	.	.			trans	-68.4	147.7	173.6	-60.2	-166.9	-174	179.6	-2.5	111.6	T359 E382 C383 C386 F390	T359-R388 HydrophobicContact CG2-CB 4.29Å; E382-R388 VanDerWaalsContact CA-O 3.24Å; E382-R388 WeakPolarHBondContact CA-O 3.26Å; C383-R388 PolarHBondContact N-O 2.89Å; C386-R388 PolarHBondContact O-N 2.93Å; R388-F390 HydrophobicContact CB-CE2 3.83Å; R388-F390 HydrophobicContact CB-CZ 4.1Å; R388-F390 WeakPolarHBondContact O-CD2 3.21Å; R388-F390 WeakPolarHBondContact O-CE2 3.39Å
389	T	86.7	Confident	78.1	Confident	29 Å²	29	50.8 Å²	50.8	18%	0.178	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-97.3	146.5	-172.7	46.9	0	0	0	0	112.8	Y357 T359 M365 T381 E382	Y357-T389 PolarHBondContact O-OG1 2.95Å; T359-T389 WeakPolarHBondContact CB-O 3.29Å; T359-T389 PolarHBondContact N-O 3Å; T359-T389 PolarHBondContact OG1-O 3.02Å; M365-T389 HydrophobicContact CE-CG2 4.41Å; T381-T389 CarbonylContact O-C 3.57Å; T381-T389 WeakPolarHBondContact O-CA 3.43Å; E382-T389 HydrophobicContact CB-CG2 4.38Å
390	F	86.8	Confident	79.3	Confident	13 Å²	13	50.9 Å²	50.9	6%	0.057	25%	0.249	C	C	.	.			trans	-150.3	138.7	-168.6	-66.2	-78.5	0	0	0	112.4	T359 C360 M365 T381 C383 R388 C406 L407 C475	T359-F390 HydrophobicContact CG2-CE1 4.21Å; T359-F390 HydrophobicContact CG2-CZ 4.19Å; C360-F390 HydrophobicContact CB-CD1 4.11Å; C360-F390 HydrophobicContact CB-CE1 4.28Å; M365-F390 VanDerWaalsContact SD-C 3.57Å; T381-F390 PolarHBondContact O-N 3.29Å; C383-F390 HydrophobicContact CB-CD2 4.49Å; C383-F390 HydrophobicContact CB-CE2 4.06Å; R388-F390 HydrophobicContact CB-CE2 3.83Å; R388-F390 HydrophobicContact CB-CZ 4.1Å; R388-F390 WeakPolarHBondContact O-CD2 3.21Å; R388-F390 WeakPolarHBondContact O-CE2 3.39Å; F390-C406 HydrophobicContact CB-CB 4.49Å; F390-C406 HydrophobicContact CD1-CB 3.67Å; F390-C406 HydrophobicContact CE1-CB 4.36Å; F390-C406 HydrophobicContact CG-CB 4.41Å; F390-L407 HydrophobicContact CB-CB 3.65Å; F390-L407 HydrophobicContact CB-CD2 4.27Å; F390-L407 HydrophobicContact CB-CG 4.43Å; F390-L407 HydrophobicContact CD2-CB 4.44Å; F390-L407 HydrophobicContact CD2-CD1 4.13Å; F390-L407 HydrophobicContact CG-CB 4.18Å; F390-C475 HydrophobicContact CD2-CB 3.92Å; F390-C475 HydrophobicContact CE1-CB 3.98Å; F390-C475 HydrophobicContact CE2-CB 3.27Å; F390-C475 HydrophobicContact CZ-CB 3.29Å
391	C	82.7	Confident	79.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-85.6	-4.3	-173.2	69.9	0	0	0	0	115.8	C358 M365 L393 V394 N395	C358-C391 HydrophobicContact CB-CB 3.78Å; C358-C391 PolarHBondContact SG-N 2.79Å; M365-C391 WeakPolarHBondContact SD-CA 3.33Å; M365-C391 HydrophobicContact SD-CB 3.69Å; C391-L393 PolarHBondContact O-N 3.1Å; C391-L393 VanDerWaalsContact O-N 3.09Å; C391-V394 PolarHBondContact O-N 2.85Å; C391-N395 HydrophobicContact CB-CB 4.22Å; C391-N395 WeakPolarHBondContact O-CB 3.27Å; C391-N395 PolarHBondContact O-N 2.91Å
392	S	81	Confident	79.9	Confident	17 Å²	17	49.1 Å²	49.1	12%	0.119	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-38.1	-171.3	-88.5	0	0	0	0	114.9	G404 C406 L407	S392-G404 WeakPolarHBondContact CB-O 3.14Å; S392-G404 PolarHBondContact OG-O 3.08Å; S392-C406 PolarHBondContact OG-N 3.23Å; S392-C406 VanDerWaalsContact OG-N 3.14Å; S392-C406 PolarHBondContact OG-SG 3.3Å; S392-L407 WeakPolarHBondContact CB-O 3.48Å; S392-L407 PolarHBondContact OG-N 2.86Å
393	L	75.9	Confident	79.2	Confident	70 Å²	70	55.2 Å²	55.2	37%	0.366	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.9	-176.1	-58.2	179.5	0	0	0	113.8	I378 C391 L407 L473	I378-L393 HydrophobicContact CG2-CD1 4.14Å; C391-L393 PolarHBondContact O-N 3.1Å; C391-L393 VanDerWaalsContact O-N 3.09Å; L393-L407 HydrophobicContact CD1-CD2 3.95Å; L393-L407 HydrophobicContact CG-CD2 4.35Å; L393-L473 HydrophobicContact CD1-CD1 3.69Å; L393-L473 HydrophobicContact CD1-CD2 3.83Å; L393-L473 HydrophobicContact CD1-CG 4.43Å
394	V	72.3	Confident	78.5	Confident	34 Å²	34	56.3 Å²	56.3	21%	0.206	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-35.1	-177.4	-171.7	0	0	0	0	111.6	P366 T381 C391 P396	P366-V394 HydrophobicContact CG-CG1 4.42Å; T381-V394 HydrophobicContact CG2-CG2 3.37Å; C391-V394 PolarHBondContact O-N 2.85Å; V394-P396 WeakPolarHBondContact O-CD 3.47Å
395	N	71.2	Confident	78.2	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.059	31%	0.313	C	S	.	.			trans	-81.9	115.2	-179.5	178	-3	0	0	0	110.2	W322 C391 Y397 G398	W322-N395 HydrophobicContact CE3-CB 4.31Å; W322-N395 HydrophobicContact CH2-CB 3.72Å; W322-N395 WeakPolarHBondContact CH2-ND2 3.37Å; W322-N395 HydrophobicContact CZ2-CB 4.43Å; W322-N395 HydrophobicContact CZ3-CB 3.66Å; W322-N395 VanDerWaalsContact CZ3-ND2 3.26Å; W322-N395 WeakPolarHBondContact CZ3-ND2 3.46Å; W322-N395 WeakPolarHBondContact CZ3-OD1 3.2Å; C391-N395 HydrophobicContact CB-CB 4.22Å; C391-N395 WeakPolarHBondContact O-CB 3.27Å; C391-N395 PolarHBondContact O-N 2.91Å; N395-Y397 PolarHBondContact O-N 2.91Å; N395-Y397 VanDerWaalsContact O-N 3.13Å; N395-Y397 WeakPolarHBondContact OD1-CB 3.18Å; N395-Y397 PolarHBondContact OD1-N 3Å; N395-G398 PolarHBondContact ND2-O 2.91Å; N395-G398 PolarHBondContact O-N 3.26Å
396	P	66.9	Low	78.2	Confident	104 Å²	104	59 Å²	59	68%	0.675	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.5	-179.8	-20.1	32.1	0	0	0	113.8	V394	V394-P396 WeakPolarHBondContact O-CD 3.47Å
397	Y	69.3	Low	78.2	Confident	174 Å²	174	56.9 Å²	56.9	68%	0.682	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.5	179.8	-55.5	-73.3	0	0	0	113.3	P324 N395	P324-Y397 WeakPolarHBondContact CB-OH 3.21Å; N395-Y397 PolarHBondContact O-N 2.91Å; N395-Y397 VanDerWaalsContact O-N 3.13Å; N395-Y397 WeakPolarHBondContact OD1-CB 3.18Å; N395-Y397 PolarHBondContact OD1-N 3Å
398	G	73.7	Confident	78.2	Confident	13 Å²	13	50.7 Å²	50.7	13%	0.134	27%	0.27	C	S	.	.			trans	70	162.3	-172.3	0	0	0	0	0	113.6	N395 S400	N395-G398 PolarHBondContact ND2-O 2.91Å; N395-G398 PolarHBondContact O-N 3.26Å; G398-S400 PolarHBondContact O-N 2.88Å
399	C	81.6	Confident	78.3	Confident	1 Å²	1	49 Å²	49	1%	0.007	26%	0.264	C	S	.	.			trans	-60.1	122.5	-179.2	-179.5	0	0	0	0	112.3	T401 C402 D403 C406	C399-T401 PolarHBondContact O-N 3.2Å; C399-C402 VanDerWaalsContact CB-SG 3.59Å; C399-C402 PolarHBondContact O-N 2.95Å; C399-C402 VanDerWaalsContact O-N 3.13Å; C399-C402 VanDerWaalsContact SG-SG 3.63Å; C399-D403 PolarHBondContact O-N 3.26Å; C399-C406 HydrophobicContact CB-CB 4.31Å; C399-C406 VanDerWaalsContact CB-SG 3.54Å
400	S	76.5	Confident	78.3	Confident	62 Å²	62	47.7 Å²	47.7	43%	0.434	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-5.4	-174.6	64	0	0	0	0	116.4	R363 G398	R363-S400 PolarHBondContact NE-OG 3.34Å; R363-S400 VanDerWaalsContact NE-OG 3.12Å; G398-S400 PolarHBondContact O-N 2.88Å
401	T	76.9	Confident	78.3	Confident	90 Å²	90	51 Å²	51	55%	0.552	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-10.5	-176.4	-51.9	0	0	0	0	112.2	C360 C361 C399	C360-T401 WeakPolarHBondContact O-CB 3.5Å; C360-T401 WeakPolarHBondContact O-CG2 3.45Å; C360-T401 PolarHBondContact O-OG1 3.43Å; C361-T401 WeakPolarHBondContact CA-OG1 3.16Å; C361-T401 WeakPolarHBondContact CB-OG1 3.47Å; C399-T401 PolarHBondContact O-N 3.2Å
402	C	76.3	Confident	78.4	Confident	22 Å²	22	52.5 Å²	52.5	15%	0.149	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-157.4	29.9	-173.3	70.1	0	0	0	0	113.1	C399 G404 Y405 C406	C399-C402 VanDerWaalsContact CB-SG 3.59Å; C399-C402 PolarHBondContact O-N 2.95Å; C399-C402 VanDerWaalsContact O-N 3.13Å; C399-C402 VanDerWaalsContact SG-SG 3.63Å; C402-G404 PolarHBondContact O-N 3.08Å; C402-Y405 WeakPolarHBondContact O-CB 3.32Å; C402-Y405 WeakPolarHBondContact O-CD2 3.38Å; C402-Y405 PolarHBondContact O-N 3.26Å; C402-C406 WeakPolarHBondContact SG-CB 3.47Å; C402-C406 PolarHBondContact SG-N 3.13Å
403	D	69.7	Low	78.5	Confident	140 Å²	140	52 Å²	52	75%	0.749	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	37	173.1	-48.5	-32.1	0	0	0	115	C399 Y405	C399-D403 PolarHBondContact O-N 3.26Å; D403-Y405 HydrophobicContact CB-CD2 4.35Å; D403-Y405 HydrophobicContact CB-CE2 4.44Å; D403-Y405 WeakPolarHBondContact O-CD2 3.27Å
404	G	71.8	Confident	78.9	Confident	23 Å²	23	50.6 Å²	50.6	24%	0.237	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	6.9	-179.4	0	0	0	0	0	116.7	S392 C402	S392-G404 WeakPolarHBondContact CB-O 3.14Å; S392-G404 PolarHBondContact OG-O 3.08Å; C402-G404 PolarHBondContact O-N 3.08Å
405	Y	79.3	Confident	79.3	Confident	116 Å²	116	55.8 Å²	55.8	46%	0.455	29%	0.285	S	S	.	.			trans	-95.7	15.2	180	-63.9	-82.2	0	0	0	116	C402 D403	C402-Y405 WeakPolarHBondContact O-CB 3.32Å; C402-Y405 WeakPolarHBondContact O-CD2 3.38Å; C402-Y405 PolarHBondContact O-N 3.26Å; D403-Y405 HydrophobicContact CB-CD2 4.35Å; D403-Y405 HydrophobicContact CB-CE2 4.44Å; D403-Y405 WeakPolarHBondContact O-CD2 3.27Å
406	C	85.5	Confident	79.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	29%	0.293	C	S	.	.	S	Bend	trans	-75.5	-25.5	-177.9	65	0	0	0	0	114	C360 F390 S392 C399 C402 C475 K476	C360-C406 HydrophobicContact CB-CB 3.41Å; C360-C406 VanDerWaalsContact CB-CB 3.41Å; F390-C406 HydrophobicContact CB-CB 4.49Å; F390-C406 HydrophobicContact CD1-CB 3.67Å; F390-C406 HydrophobicContact CE1-CB 4.36Å; F390-C406 HydrophobicContact CG-CB 4.41Å; S392-C406 PolarHBondContact OG-N 3.23Å; S392-C406 VanDerWaalsContact OG-N 3.14Å; S392-C406 PolarHBondContact OG-SG 3.3Å; C399-C406 HydrophobicContact CB-CB 4.31Å; C399-C406 VanDerWaalsContact CB-SG 3.54Å; C402-C406 WeakPolarHBondContact SG-CB 3.47Å; C402-C406 PolarHBondContact SG-N 3.13Å; C406-C475 WeakPolarHBondContact O-CA 3.33Å; C406-C475 VanDerWaalsContact O-CB 3.3Å; C406-C475 WeakPolarHBondContact O-CB 3.36Å; C406-K476 PolarHBondContact O-N 3.43Å
407	L	87.4	Confident	80.2	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.6	171.5	-173	71.1	0	0	0	108.6	C383 F390 S392 L393 L473	C383-L407 HydrophobicContact CB-CD1 4.12Å; F390-L407 HydrophobicContact CB-CB 3.65Å; F390-L407 HydrophobicContact CB-CD2 4.27Å; F390-L407 HydrophobicContact CB-CG 4.43Å; F390-L407 HydrophobicContact CD2-CB 4.44Å; F390-L407 HydrophobicContact CD2-CD1 4.13Å; F390-L407 HydrophobicContact CG-CB 4.18Å; S392-L407 WeakPolarHBondContact CB-O 3.48Å; S392-L407 PolarHBondContact OG-N 2.86Å; L393-L407 HydrophobicContact CD1-CD2 3.95Å; L393-L407 HydrophobicContact CG-CD2 4.35Å; L407-L473 HydrophobicContact CD1-CB 4.11Å; L407-L473 HydrophobicContact CD2-CD1 4.38Å; L407-L473 HydrophobicContact CG-CB 4.33Å
408	S	86.7	Confident	80.8	Confident	18 Å²	18	55.2 Å²	55.2	13%	0.126	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.5	179.9	66.8	0	0	0	0	110.2	L473 I474	S408-L473 WeakPolarHBondContact O-CA 3.21Å; S408-I474 PolarHBondContact N-O 3.35Å; S408-I474 PolarHBondContact O-N 2.9Å
409	R	87	Confident	81.1	Confident	89 Å²	89	55.2 Å²	55.2	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	158.8	165.8	-61.1	176.4	175.4	129.8	-2.8	109.6	Q411 D412 S472 L473	R409-Q411 VanDerWaalsContact C-N 3.29Å; R409-Q411 HydrophobicContact CB-CG 3.92Å; R409-Q411 PolarHBondContact O-N 3.33Å; R409-D412 WeakPolarHBondContact CB-OD2 3.44Å; R409-D412 PolarHBondContact N-OD2 3.44Å; R409-D412 WeakPolarHBondContact O-CB 3.34Å; R409-D412 PolarHBondContact O-N 2.97Å; R409-D412 VanDerWaalsContact O-N 3.12Å; R409-S472 CarbonylContact C-O 3.57Å; R409-S472 WeakPolarHBondContact CA-O 3.5Å; R409-L473 HydrophobicContact CG-CD2 3.81Å
410	V	86.8	Confident	81.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-60.5	-39.8	174.2	174.9	0	0	0	0	111.4	D412 L413 L453 M457 G470 S472 I474 L482	V410-D412 PolarHBondContact O-N 3.4Å; V410-L413 HydrophobicContact CG1-CD1 4.12Å; V410-L413 VanDerWaalsContact O-CB 3.26Å; V410-L413 WeakPolarHBondContact O-CB 3.37Å; V410-L413 WeakPolarHBondContact O-CD1 3.28Å; V410-L413 WeakPolarHBondContact O-CG 3.47Å; V410-L413 PolarHBondContact O-N 2.71Å; V410-L413 VanDerWaalsContact O-N 3.11Å; V410-L453 HydrophobicContact CG1-CD1 4.32Å; V410-L453 HydrophobicContact CG1-CD2 3.4Å; V410-L453 VanDerWaalsContact CG1-CD2 3.4Å; V410-M457 HydrophobicContact CB-CE 4Å; V410-M457 HydrophobicContact CG1-CE 3.53Å; V410-M457 HydrophobicContact CG1-SD 4.03Å; V410-M457 HydrophobicContact CG2-CE 4.09Å; V410-G470 PolarHBondContact N-O 3.02Å; V410-S472 PolarHBondContact N-O 3.47Å; V410-I474 HydrophobicContact CG2-CB 4.25Å; V410-I474 HydrophobicContact CG2-CD1 4.48Å; V410-I474 HydrophobicContact CG2-CG2 3.97Å; V410-L482 HydrophobicContact CG1-CD2 3.7Å; V410-L482 HydrophobicContact CG2-CD2 4.2Å
411	Q	85.2	Confident	81.3	Confident	83 Å²	83	64 Å²	64	39%	0.388	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-61.6	-28.2	175.5	70	-169.7	23.7	0	0	113.6	R409 L413 T414 G470 N471	R409-Q411 VanDerWaalsContact C-N 3.29Å; R409-Q411 HydrophobicContact CB-CG 3.92Å; R409-Q411 PolarHBondContact O-N 3.33Å; Q411-L413 PolarHBondContact O-N 2.94Å; Q411-T414 WeakPolarHBondContact O-CG2 3.47Å; Q411-T414 PolarHBondContact O-N 2.83Å; Q411-T414 PolarHBondContact O-OG1 3.37Å; Q411-G470 WeakPolarHBondContact CB-O 3.37Å; Q411-G470 WeakPolarHBondContact CG-O 3.45Å; Q411-G470 PolarHBondContact N-O 3.11Å; Q411-N471 PolarHBondContact OE1-OD1 3.31Å
412	D	85.2	Confident	81.7	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.171	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-74.2	-8.9	178.4	-69.8	-51.4	0	0	0	113	R409 V410 T414 R415	R409-D412 WeakPolarHBondContact CB-OD2 3.44Å; R409-D412 PolarHBondContact N-OD2 3.44Å; R409-D412 WeakPolarHBondContact O-CB 3.34Å; R409-D412 PolarHBondContact O-N 2.97Å; R409-D412 VanDerWaalsContact O-N 3.12Å; V410-D412 PolarHBondContact O-N 3.4Å; D412-T414 PolarHBondContact O-N 3.37Å; D412-R415 WeakPolarHBondContact O-CB 3.05Å; D412-R415 VanDerWaalsContact O-CG 3.22Å; D412-R415 WeakPolarHBondContact O-CG 3.34Å; D412-R415 PolarHBondContact O-N 3.44Å; D412-R415 VanDerWaalsContact O-N 3.09Å; D412-R415 IonicContact OD1-CZ 3.97Å; D412-R415 VanDerWaalsContact OD1-CZ 3.29Å; D412-R415 IonicContact OD1-NE 2.64Å; D412-R415 PolarHBondContact OD1-NE 2.82Å; D412-R415 VanDerWaalsContact OD1-NE 3.12Å; D412-R415 IonicContact OD1-NH2 2.77Å; D412-R415 PolarHBondContact OD1-NH2 3.29Å; D412-R415 IonicContact OD2-NH2 3.29Å
413	L	83.9	Confident	82.1	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.026	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-63	-19.6	171	-60.8	173.4	0	0	0	112	V410 Q411 R415 Y416 I449 I474 L482 L483	V410-L413 HydrophobicContact CG1-CD1 4.12Å; V410-L413 VanDerWaalsContact O-CB 3.26Å; V410-L413 WeakPolarHBondContact O-CB 3.37Å; V410-L413 WeakPolarHBondContact O-CD1 3.28Å; V410-L413 WeakPolarHBondContact O-CG 3.47Å; V410-L413 PolarHBondContact O-N 2.71Å; V410-L413 VanDerWaalsContact O-N 3.11Å; Q411-L413 PolarHBondContact O-N 2.94Å; L413-R415 PolarHBondContact O-N 2.77Å; L413-R415 VanDerWaalsContact O-N 3.1Å; L413-Y416 HydrophobicContact CD2-CE2 3.96Å; L413-Y416 WeakPolarHBondContact O-CD2 3.27Å; L413-Y416 PolarHBondContact O-N 3.08Å; L413-I449 HydrophobicContact CB-CG2 4.24Å; L413-I449 WeakPolarHBondContact O-CD1 3.42Å; L413-I474 HydrophobicContact CD1-CG2 4.48Å; L413-L482 HydrophobicContact CD1-CD2 4.21Å; L413-L483 HydrophobicContact CB-CD1 4.36Å; L413-L483 HydrophobicContact CB-CD2 4.41Å; L413-L483 HydrophobicContact CD1-CD1 4.41Å; L413-L483 HydrophobicContact CD1-CD2 4.28Å; L413-L483 HydrophobicContact CD1-CG 4.16Å; L413-L483 HydrophobicContact CD2-CD1 4.41Å
414	T	83.2	Confident	83	Confident	41 Å²	41	55.5 Å²	55.5	25%	0.252	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.9	-13.9	171.5	55.5	0	0	0	0	113.8	Q411 D412 Y416 P446 I449 N450 L453	Q411-T414 WeakPolarHBondContact O-CG2 3.47Å; Q411-T414 PolarHBondContact O-N 2.83Å; Q411-T414 PolarHBondContact O-OG1 3.37Å; D412-T414 PolarHBondContact O-N 3.37Å; T414-Y416 PolarHBondContact O-N 3.07Å; T414-P446 VanDerWaalsContact O-CB 3.27Å; T414-P446 WeakPolarHBondContact O-CB 3.45Å; T414-P446 WeakPolarHBondContact O-CG 3Å; T414-I449 HydrophobicContact CG2-CG2 4.07Å; T414-N450 HydrophobicContact CG2-CB 4Å; T414-L453 HydrophobicContact CG2-CD1 4.33Å
415	R	80.4	Confident	83.6	Confident	143 Å²	143	56 Å²	56	54%	0.54	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-73.6	-4	176.1	-59.3	175.3	-167.6	-153	6	114.3	D412 L413 N417	D412-R415 WeakPolarHBondContact O-CB 3.05Å; D412-R415 VanDerWaalsContact O-CG 3.22Å; D412-R415 WeakPolarHBondContact O-CG 3.34Å; D412-R415 PolarHBondContact O-N 3.44Å; D412-R415 VanDerWaalsContact O-N 3.09Å; D412-R415 IonicContact OD1-CZ 3.97Å; D412-R415 VanDerWaalsContact OD1-CZ 3.29Å; D412-R415 IonicContact OD1-NE 2.64Å; D412-R415 PolarHBondContact OD1-NE 2.82Å; D412-R415 VanDerWaalsContact OD1-NE 3.12Å; D412-R415 IonicContact OD1-NH2 2.77Å; D412-R415 PolarHBondContact OD1-NH2 3.29Å; D412-R415 IonicContact OD2-NH2 3.29Å; L413-R415 PolarHBondContact O-N 2.77Å; L413-R415 VanDerWaalsContact O-N 3.1Å; R415-N417 PolarHBondContact O-N 3.26Å
416	Y	79.5	Confident	84	Confident	54 Å²	54	55.1 Å²	55.1	21%	0.212	27%	0.266	C	S	.	.			trans	-71.3	111.6	175.1	-79.2	-66.6	0	0	0	111.5	L413 T414 S418 I445 I449 L483	L413-Y416 HydrophobicContact CD2-CE2 3.96Å; L413-Y416 WeakPolarHBondContact O-CD2 3.27Å; L413-Y416 PolarHBondContact O-N 3.08Å; T414-Y416 PolarHBondContact O-N 3.07Å; Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 3.15Å; Y416-I445 WeakPolarHBondContact O-CG2 3.48Å; Y416-I449 HydrophobicContact CD2-CD1 4.2Å; Y416-I449 HydrophobicContact CG-CD1 4.46Å; Y416-L483 HydrophobicContact CD2-CD1 3.87Å; Y416-L483 HydrophobicContact CE2-CD1 3.79Å
417	N	77.7	Confident	84.2	Confident	143 Å²	143	55 Å²	55	77%	0.765	27%	0.265	S	S	*	.	S	Bend	trans	-79.3	-7.7	175.2	-66.1	-23.8	0	0	0	114.1	R415	R415-N417 PolarHBondContact O-N 3.26Å
418	S	81.9	Confident	84.3	Confident	81 Å²	81	61.2 Å²	61.2	57%	0.566	29%	0.289	S	S	*	.	S	Bend	trans	-151.6	148.8	179.3	57.5	0	0	0	0	110.4	Y416	Y416-S418 VanDerWaalsContact C-N 3.29Å; Y416-S418 PolarHBondContact O-N 3.15Å
419	I	81.2	Confident	84.5	Confident	12 Å²	12	61.3 Å²	61.3	6%	0.062	29%	0.287	C	S	.	.			trans	-72.3	129.6	175.7	-74.8	174.7	0	0	0	109.6	R421 L423 T431 D435 L438 I445 F448	I419-R421 PolarHBondContact O-N 2.85Å; I419-L423 HydrophobicContact CG2-CB 3.83Å; I419-L423 HydrophobicContact CG2-CD2 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.47Å; I419-T431 HydrophobicContact CG2-CG2 3.48Å; I419-T431 VanDerWaalsContact CG2-CG2 3.48Å; I419-D435 HydrophobicContact CD1-CB 4.48Å; I419-L438 HydrophobicContact CD1-CD1 3.6Å; I419-I445 HydrophobicContact CD1-CD1 3.7Å; I419-I445 HydrophobicContact CG1-CD1 3.76Å; I419-I445 HydrophobicContact CG1-CG1 4.2Å; I419-I445 HydrophobicContact CG1-CG2 3.87Å; I419-F448 HydrophobicContact CD1-CD1 4.45Å; I419-F448 HydrophobicContact CD1-CE1 4.28Å
420	P	81.8	Confident	84.8	Confident	34 Å²	34	57.1 Å²	57.1	22%	0.221	27%	0.271	C	S	.	.			trans	-57.5	128.1	170.2	-23.9	33.8	0	0	0	110.3	N422 L423 T431	P420-N422 PolarHBondContact O-N 3.45Å; P420-L423 HydrophobicContact CB-CB 4.41Å; P420-L423 WeakPolarHBondContact O-CB 3.21Å; P420-L423 PolarHBondContact O-N 3.41Å; P420-T431 WeakPolarHBondContact O-CG2 3.17Å
421	R	80.5	Confident	85	Confident	213 Å²	213	57.3 Å²	57.3	80%	0.804	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-12.6	-171.2	-59.1	-172.7	-172.6	-157.3	0.7	116.8	I419	I419-R421 PolarHBondContact O-N 2.85Å
422	N	84.3	Confident	85.3	Confident	63 Å²	63	60.8 Å²	60.8	34%	0.337	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	18.4	179.4	-64.1	-10.9	0	0	0	111.2	P420 N426 R428	P420-N422 PolarHBondContact O-N 3.45Å; N422-N426 WeakPolarHBondContact O-CA 3.4Å; N422-N426 PolarHBondContact O-N 2.91Å; N422-R428 VanDerWaalsContact OD1-CG 3.27Å; N422-R428 WeakPolarHBondContact OD1-CG 3.48Å; N422-R428 PolarHBondContact OD1-NE 3.09Å
423	L	86	Confident	85.7	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.052	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-52.3	-168.4	-179.6	64.3	0	0	0	112.6	I419 P420 L425 T431 L483 S484 A487	I419-L423 HydrophobicContact CG2-CB 3.83Å; I419-L423 HydrophobicContact CG2-CD2 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.47Å; P420-L423 HydrophobicContact CB-CB 4.41Å; P420-L423 WeakPolarHBondContact O-CB 3.21Å; P420-L423 PolarHBondContact O-N 3.41Å; L423-L425 PolarHBondContact O-N 2.91Å; L423-T431 HydrophobicContact CB-CG2 4.09Å; L423-T431 PolarHBondContact N-OG1 2.9Å; L423-L483 HydrophobicContact CD1-CB 3.62Å; L423-S484 WeakPolarHBondContact O-CA 3.36Å; L423-S484 WeakPolarHBondContact O-CB 3.33Å; L423-S484 PolarHBondContact O-OG 3Å; L423-A487 HydrophobicContact CD2-CB 4.12Å; L423-A487 HydrophobicContact CG-CB 4.44Å
424	L	87.7	Confident	86.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	108.8	178.4	-79.7	174.4	0	0	0	109.7	N426 N427 E430 T431 L434 A487 R491	L424-N426 PolarHBondContact O-N 2.84Å; L424-N427 WeakPolarHBondContact O-CA 3.35Å; L424-N427 WeakPolarHBondContact O-CB 3.35Å; L424-N427 PolarHBondContact O-N 3.23Å; L424-E430 HydrophobicContact CB-CB 4.25Å; L424-E430 HydrophobicContact CD1-CB 4.24Å; L424-E430 WeakPolarHBondContact CD1-O 3.46Å; L424-T431 PolarHBondContact N-OG1 3.01Å; L424-L434 HydrophobicContact CD1-CB 3.79Å; L424-L434 HydrophobicContact CD1-CD2 3.78Å; L424-L434 HydrophobicContact CD1-CG 4.41Å; L424-L434 HydrophobicContact CG-CD2 4.18Å; L424-A487 VanDerWaalsContact CD2-C 3.47Å; L424-A487 HydrophobicContact CD2-CB 3.64Å; L424-A487 HydrophobicContact CG-CB 4.26Å; L424-R491 HydrophobicContact CD1-CB 4.46Å; L424-R491 HydrophobicContact CD1-CG 4.26Å
425	L	85.2	Confident	86.5	Confident	33 Å²	33	61 Å²	61	17%	0.173	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	24.4	171	-52.8	176.5	0	0	0	116	L423 N427 S484 Y488 R513	L423-L425 PolarHBondContact O-N 2.91Å; L425-N427 PolarHBondContact O-N 3.01Å; L425-S484 PolarHBondContact N-OG 2.93Å; L425-Y488 HydrophobicContact CD1-CD2 3.87Å; L425-Y488 HydrophobicContact CD1-CE2 3.88Å; L425-Y488 HydrophobicContact CD2-CD2 4.2Å; L425-Y488 HydrophobicContact CG-CD2 4.14Å; L425-R513 HydrophobicContact CD1-CB 3.82Å; L425-R513 HydrophobicContact CD2-CB 4.33Å
426	N	86.5	Confident	87	Confident	98 Å²	98	58 Å²	58	52%	0.524	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	17.7	-167	-66.6	-55.9	0	0	0	115.4	N422 L424	N422-N426 WeakPolarHBondContact O-CA 3.4Å; N422-N426 PolarHBondContact O-N 2.91Å; L424-N426 PolarHBondContact O-N 2.84Å
427	N	89.1	Confident	87.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.			trans	-99	115.1	-179.1	-173.6	-31	0	0	0	111	L424 L425 I429 E430 T431 Q518 H530	L424-N427 WeakPolarHBondContact O-CA 3.35Å; L424-N427 WeakPolarHBondContact O-CB 3.35Å; L424-N427 PolarHBondContact O-N 3.23Å; L425-N427 PolarHBondContact O-N 3.01Å; N427-I429 VanDerWaalsContact C-N 3.33Å; N427-I429 PolarHBondContact O-N 3.35Å; N427-I429 WeakPolarHBondContact OD1-CB 3.41Å; N427-I429 PolarHBondContact OD1-N 3.16Å; N427-E430 HydrophobicContact CB-CB 4.24Å; N427-E430 HydrophobicContact CB-CG 4.28Å; N427-E430 WeakPolarHBondContact ND2-CG 3.44Å; N427-E430 PolarHBondContact OD1-N 2.94Å; N427-E430 VanDerWaalsContact OD1-N 3.15Å; N427-T431 VanDerWaalsContact O-CB 3.27Å; N427-T431 WeakPolarHBondContact O-CB 3.48Å; N427-T431 PolarHBondContact O-N 2.76Å; N427-T431 VanDerWaalsContact O-N 3.07Å; N427-T431 PolarHBondContact O-OG1 3.24Å; N427-Q518 HydrophobicContact CB-CG 4.06Å; N427-Q518 PolarHBondContact ND2-OE1 2.79Å; N427-H530 PolarHBondContact ND2-ND1 2.88Å; N427-H530 VanDerWaalsContact ND2-ND1 3.16Å
428	R	89.9	Confident	88.4	Confident	133 Å²	133	49.8 Å²	49.8	50%	0.502	24%	0.235	S	C	.	.	H	α-helix	trans	-69.8	-27.7	-179	-64.1	-179.5	-171.6	170.5	10.1	113.7	N422 R432	N422-R428 VanDerWaalsContact OD1-CG 3.27Å; N422-R428 WeakPolarHBondContact OD1-CG 3.48Å; N422-R428 PolarHBondContact OD1-NE 3.09Å; R428-R432 VanDerWaalsContact O-CB 3.3Å; R428-R432 WeakPolarHBondContact O-CB 3.42Å; R428-R432 PolarHBondContact O-N 3.25Å; R428-R432 VanDerWaalsContact O-N 3.17Å
429	I	91.4	Very high	88.8	Confident	20 Å²	20	50.8 Å²	50.8	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-74.7	-53.1	179.9	-62.6	-62.8	0	0	0	109.5	N427 T431 R432 I433 Y522 A525 R526	N427-I429 VanDerWaalsContact C-N 3.33Å; N427-I429 PolarHBondContact O-N 3.35Å; N427-I429 WeakPolarHBondContact OD1-CB 3.41Å; N427-I429 PolarHBondContact OD1-N 3.16Å; I429-T431 VanDerWaalsContact C-N 3.32Å; I429-T431 PolarHBondContact O-N 3.45Å; I429-R432 PolarHBondContact O-N 2.91Å; I429-R432 VanDerWaalsContact O-N 3.13Å; I429-I433 HydrophobicContact CG2-CD1 3.78Å; I429-I433 WeakPolarHBondContact O-CG1 3.43Å; I429-I433 PolarHBondContact O-N 3.25Å; I429-Y522 HydrophobicContact CD1-CD2 4.14Å; I429-Y522 HydrophobicContact CD1-CE2 3.44Å; I429-Y522 VanDerWaalsContact CD1-CE2 3.44Å; I429-Y522 HydrophobicContact CG1-CE2 4.27Å; I429-A525 HydrophobicContact CB-CB 4.35Å; I429-A525 HydrophobicContact CG1-CB 3.92Å; I429-A525 WeakPolarHBondContact CG2-O 3.37Å; I429-R526 HydrophobicContact CD1-CB 4.42Å; I429-R526 HydrophobicContact CG1-CB 4.38Å
430	E	92.5	Very high	89.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-39.9	179.5	-61.4	-68.3	-175	0	0	111.6	L424 N427 R432 I433 L434 R491 N529 H530 I531	L424-E430 HydrophobicContact CB-CB 4.25Å; L424-E430 HydrophobicContact CD1-CB 4.24Å; L424-E430 WeakPolarHBondContact CD1-O 3.46Å; N427-E430 HydrophobicContact CB-CB 4.24Å; N427-E430 HydrophobicContact CB-CG 4.28Å; N427-E430 WeakPolarHBondContact ND2-CG 3.44Å; N427-E430 PolarHBondContact OD1-N 2.94Å; N427-E430 VanDerWaalsContact OD1-N 3.15Å; E430-R432 VanDerWaalsContact C-N 3.32Å; E430-R432 PolarHBondContact O-N 3.26Å; E430-I433 PolarHBondContact O-N 3.01Å; E430-L434 PolarHBondContact O-N 3.29Å; E430-L434 VanDerWaalsContact O-N 3.09Å; E430-R491 IonicContact OE2-NH2 3.96Å; E430-N529 PolarHBondContact OE1-OD1 2.99Å; E430-H530 HydrophobicContact CG-CB 4.4Å; E430-H530 PolarHBondContact OE1-N 3.01Å; E430-I531 HydrophobicContact CB-CD1 4.29Å; E430-I531 HydrophobicContact CG-CD1 4.25Å; E430-I531 HydrophobicContact CG-CG1 4.35Å
431	T	92.5	Very high	89.8	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-43.5	173.5	-58.6	0	0	0	0	111.8	I419 P420 L423 L424 N427 I429 L434 D435	I419-T431 HydrophobicContact CG2-CG2 3.48Å; I419-T431 VanDerWaalsContact CG2-CG2 3.48Å; P420-T431 WeakPolarHBondContact O-CG2 3.17Å; L423-T431 HydrophobicContact CB-CG2 4.09Å; L423-T431 PolarHBondContact N-OG1 2.9Å; L424-T431 PolarHBondContact N-OG1 3.01Å; N427-T431 VanDerWaalsContact O-CB 3.27Å; N427-T431 WeakPolarHBondContact O-CB 3.48Å; N427-T431 PolarHBondContact O-N 2.76Å; N427-T431 VanDerWaalsContact O-N 3.07Å; N427-T431 PolarHBondContact O-OG1 3.24Å; I429-T431 VanDerWaalsContact C-N 3.32Å; I429-T431 PolarHBondContact O-N 3.45Å; T431-L434 PolarHBondContact O-N 3.31Å; T431-D435 PolarHBondContact O-N 3.14Å
432	R	91.8	Very high	90.2	Very high	156 Å²	156	50.3 Å²	50.3	59%	0.589	27%	0.267	S	S	*	.	H	α-helix	trans	-66.6	-41.8	177.1	176.1	177.9	174.9	173.9	4.7	112.2	R428 I429 E430 L434 D435 D436	R428-R432 VanDerWaalsContact O-CB 3.3Å; R428-R432 WeakPolarHBondContact O-CB 3.42Å; R428-R432 PolarHBondContact O-N 3.25Å; R428-R432 VanDerWaalsContact O-N 3.17Å; I429-R432 PolarHBondContact O-N 2.91Å; I429-R432 VanDerWaalsContact O-N 3.13Å; E430-R432 VanDerWaalsContact C-N 3.32Å; E430-R432 PolarHBondContact O-N 3.26Å; R432-L434 PolarHBondContact O-N 3.1Å; R432-D435 PolarHBondContact O-N 3.31Å; R432-D435 VanDerWaalsContact O-N 3.13Å; R432-D436 VanDerWaalsContact CG-OD2 3.29Å; R432-D436 WeakPolarHBondContact CG-OD2 3.22Å; R432-D436 IonicContact CZ-OD2 3.58Å; R432-D436 IonicContact NE-OD2 3.69Å; R432-D436 PolarHBondContact NE-OD2 3.37Å; R432-D436 VanDerWaalsContact NE-OD2 3.08Å; R432-D436 IonicContact NH2-OD2 3.08Å; R432-D436 WeakPolarHBondContact O-CB 3.37Å; R432-D436 PolarHBondContact O-N 3.4Å
433	I	92.1	Very high	90.5	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-40	177.4	-69.7	161.6	0	0	0	110.6	I429 E430 Y437 L499 V503	I429-I433 HydrophobicContact CG2-CD1 3.78Å; I429-I433 WeakPolarHBondContact O-CG1 3.43Å; I429-I433 PolarHBondContact O-N 3.25Å; E430-I433 PolarHBondContact O-N 3.01Å; I433-Y437 VanDerWaalsContact O-CB 3.29Å; I433-Y437 WeakPolarHBondContact O-CB 3.42Å; I433-Y437 PolarHBondContact O-N 2.74Å; I433-L499 HydrophobicContact CG2-CD2 4.26Å; I433-V503 HydrophobicContact CD1-CG1 4.08Å; I433-V503 HydrophobicContact CD1-CG2 3.68Å; I433-V503 HydrophobicContact CG1-CG2 3.95Å; I433-V503 HydrophobicContact CG2-CG1 4.19Å; I433-V503 HydrophobicContact CG2-CG2 4.21Å
434	L	92.3	Very high	90.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-43.3	174.3	178.7	63.3	0	0	0	112.5	L424 E430 T431 R432 Y437 L438 F448 A487 Y490 I494	L424-L434 HydrophobicContact CD1-CB 3.79Å; L424-L434 HydrophobicContact CD1-CD2 3.78Å; L424-L434 HydrophobicContact CD1-CG 4.41Å; L424-L434 HydrophobicContact CG-CD2 4.18Å; E430-L434 PolarHBondContact O-N 3.29Å; E430-L434 VanDerWaalsContact O-N 3.09Å; T431-L434 PolarHBondContact O-N 3.31Å; R432-L434 PolarHBondContact O-N 3.1Å; L434-Y437 PolarHBondContact O-N 3.04Å; L434-L438 HydrophobicContact CD1-CD1 4.08Å; L434-L438 HydrophobicContact CD1-CG 4.1Å; L434-L438 HydrophobicContact CG-CD1 3.98Å; L434-L438 HydrophobicContact CG-CG 4.41Å; L434-L438 WeakPolarHBondContact O-CB 3.35Å; L434-L438 VanDerWaalsContact O-CG 3.29Å; L434-L438 WeakPolarHBondContact O-CG 3.3Å; L434-L438 PolarHBondContact O-N 3.27Å; L434-F448 HydrophobicContact CD2-CE2 4.29Å; L434-F448 HydrophobicContact CD2-CZ 3.85Å; L434-A487 HydrophobicContact CD2-CB 4.08Å; L434-Y490 HydrophobicContact CD1-CD1 3.92Å; L434-Y490 HydrophobicContact CD1-CE1 4.06Å; L434-I494 HydrophobicContact CD1-CD1 4.09Å
435	D	91.8	Very high	90.9	Very high	59 Å²	59	53.4 Å²	53.4	32%	0.316	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-44.3	179.4	-158.2	35.4	0	0	0	111.7	I419 T431 R432 L438 T439	I419-D435 HydrophobicContact CD1-CB 4.48Å; T431-D435 PolarHBondContact O-N 3.14Å; R432-D435 PolarHBondContact O-N 3.31Å; R432-D435 VanDerWaalsContact O-N 3.13Å; D435-L438 PolarHBondContact O-N 3.39Å; D435-T439 WeakPolarHBondContact O-CB 3.35Å; D435-T439 PolarHBondContact O-N 2.94Å; D435-T439 PolarHBondContact O-OG1 3.35Å
436	D	91.7	Very high	91.1	Very high	82 Å²	82	53.9 Å²	53.9	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-39.7	174.9	-70.8	-24.3	0	0	0	110.9	R432 S440	R432-D436 VanDerWaalsContact CG-OD2 3.29Å; R432-D436 WeakPolarHBondContact CG-OD2 3.22Å; R432-D436 IonicContact CZ-OD2 3.58Å; R432-D436 IonicContact NE-OD2 3.69Å; R432-D436 PolarHBondContact NE-OD2 3.37Å; R432-D436 VanDerWaalsContact NE-OD2 3.08Å; R432-D436 IonicContact NH2-OD2 3.08Å; R432-D436 WeakPolarHBondContact O-CB 3.37Å; R432-D436 PolarHBondContact O-N 3.4Å; D436-S440 PolarHBondContact O-N 3.03Å
437	Y	92.9	Very high	91.3	Very high	24 Å²	24	53 Å²	53	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-46.7	174.2	168.5	-89.6	0	0	0	113	I433 L434 T439 S440 K441 Y490 I494 E498 L499	I433-Y437 VanDerWaalsContact O-CB 3.29Å; I433-Y437 WeakPolarHBondContact O-CB 3.42Å; I433-Y437 PolarHBondContact O-N 2.74Å; L434-Y437 PolarHBondContact O-N 3.04Å; Y437-T439 VanDerWaalsContact C-N 3.26Å; Y437-T439 PolarHBondContact O-N 3.03Å; Y437-S440 PolarHBondContact O-N 3.33Å; Y437-S440 PolarHBondContact O-OG 2.91Å; Y437-K441 HydrophobicContact CD2-CG 4.39Å; Y437-K441 HydrophobicContact CE1-CG 4.07Å; Y437-K441 HydrophobicContact CE2-CD 4.42Å; Y437-K441 HydrophobicContact CE2-CG 3.93Å; Y437-K441 WeakPolarHBondContact O-CG 3.47Å; Y437-K441 PolarHBondContact O-N 3.21Å; Y437-Y490 HydrophobicContact CE1-CE1 4.11Å; Y437-I494 HydrophobicContact CD1-CD1 3.55Å; Y437-I494 HydrophobicContact CD1-CG1 4.44Å; Y437-I494 HydrophobicContact CD2-CD1 4.39Å; Y437-I494 HydrophobicContact CD2-CG2 4.04Å; Y437-I494 HydrophobicContact CE1-CD1 3.45Å; Y437-I494 VanDerWaalsContact CE1-CD1 3.45Å; Y437-I494 HydrophobicContact CE1-CG1 3.87Å; Y437-I494 HydrophobicContact CE1-CG2 4.48Å; Y437-I494 HydrophobicContact CE2-CD1 4.31Å; Y437-I494 HydrophobicContact CE2-CG1 4.43Å; Y437-I494 HydrophobicContact CE2-CG2 3.53Å; Y437-I494 HydrophobicContact CG-CD1 4.04Å; Y437-E498 HydrophobicContact CE2-CB 4.04Å; Y437-E498 PolarHBondContact OH-OE2 3.43Å; Y437-L499 HydrophobicContact CD2-CD2 4.15Å
438	L	92.6	Very high	91.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-38.7	178.6	-71.2	170.2	0	0	0	110.9	I419 L434 D435 K441 G442 V443 I445 F448 Y490	I419-L438 HydrophobicContact CD1-CD1 3.6Å; L434-L438 HydrophobicContact CD1-CD1 4.08Å; L434-L438 HydrophobicContact CD1-CG 4.1Å; L434-L438 HydrophobicContact CG-CD1 3.98Å; L434-L438 HydrophobicContact CG-CG 4.41Å; L434-L438 WeakPolarHBondContact O-CB 3.35Å; L434-L438 VanDerWaalsContact O-CG 3.29Å; L434-L438 WeakPolarHBondContact O-CG 3.3Å; L434-L438 PolarHBondContact O-N 3.27Å; D435-L438 PolarHBondContact O-N 3.39Å; L438-K441 PolarHBondContact O-N 2.81Å; L438-G442 PolarHBondContact O-N 2.65Å; L438-G442 VanDerWaalsContact O-N 3.12Å; L438-V443 HydrophobicContact CD2-CB 3.97Å; L438-V443 HydrophobicContact CD2-CG1 3.96Å; L438-V443 PolarHBondContact O-N 3.48Å; L438-I445 HydrophobicContact CD1-CD1 4.09Å; L438-F448 HydrophobicContact CD1-CB 4.1Å; L438-F448 HydrophobicContact CD1-CD1 3.91Å; L438-F448 HydrophobicContact CD1-CD2 3.9Å; L438-F448 HydrophobicContact CD1-CE1 4.34Å; L438-F448 HydrophobicContact CD1-CE2 4.33Å; L438-F448 HydrophobicContact CD1-CG 3.67Å; L438-F448 HydrophobicContact CD2-CB 4.06Å; L438-F448 HydrophobicContact CD2-CD2 3.89Å; L438-F448 HydrophobicContact CD2-CG 4.11Å; L438-Y490 HydrophobicContact CD2-CE1 3.98Å
439	T	91.8	Very high	91.5	Very high	101 Å²	101	47.2 Å²	47.2	62%	0.62	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-45.5	173.3	-58.5	0	0	0	0	111.6	D435 Y437 K441 G442	D435-T439 WeakPolarHBondContact O-CB 3.35Å; D435-T439 PolarHBondContact O-N 2.94Å; D435-T439 PolarHBondContact O-OG1 3.35Å; Y437-T439 VanDerWaalsContact C-N 3.26Å; Y437-T439 PolarHBondContact O-N 3.03Å; T439-K441 VanDerWaalsContact C-N 3.31Å; T439-K441 PolarHBondContact O-N 3.48Å; T439-G442 PolarHBondContact O-N 3.33Å; T439-G442 VanDerWaalsContact O-N 3.12Å
440	S	91.1	Very high	91.4	Very high	91 Å²	91	50.5 Å²	50.5	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-66.9	-30.3	179.6	78.2	0	0	0	0	113.4	D436 Y437 G442	D436-S440 PolarHBondContact O-N 3.03Å; Y437-S440 PolarHBondContact O-N 3.33Å; Y437-S440 PolarHBondContact O-OG 2.91Å; S440-G442 VanDerWaalsContact C-N 3.34Å
441	K	91.4	Very high	91.3	Very high	94 Å²	94	53.6 Å²	53.6	41%	0.409	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.6	173.7	-65.8	-69	-169	164.3	0	114.1	Y437 L438 T439 V443 E498	Y437-K441 HydrophobicContact CD2-CG 4.39Å; Y437-K441 HydrophobicContact CE1-CG 4.07Å; Y437-K441 HydrophobicContact CE2-CD 4.42Å; Y437-K441 HydrophobicContact CE2-CG 3.93Å; Y437-K441 WeakPolarHBondContact O-CG 3.47Å; Y437-K441 PolarHBondContact O-N 3.21Å; L438-K441 PolarHBondContact O-N 2.81Å; T439-K441 VanDerWaalsContact C-N 3.31Å; T439-K441 PolarHBondContact O-N 3.48Å; K441-V443 HydrophobicContact CB-CG2 3.9Å; K441-V443 PolarHBondContact O-N 3.34Å; K441-E498 WeakPolarHBondContact CE-OE2 3.33Å; K441-E498 IonicContact NZ-OE1 2.74Å; K441-E498 PolarHBondContact NZ-OE1 3.2Å; K441-E498 IonicContact NZ-OE2 3.12Å; K441-E498 PolarHBondContact NZ-OE2 3.41Å
442	G	90.2	Very high	91.2	Very high	65 Å²	65	53.4 Å²	53.4	67%	0.67	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	19.8	-176.1	0	0	0	0	0	114.5	L438 T439 S440	L438-G442 PolarHBondContact O-N 2.65Å; L438-G442 VanDerWaalsContact O-N 3.12Å; T439-G442 PolarHBondContact O-N 3.33Å; T439-G442 VanDerWaalsContact O-N 3.12Å; S440-G442 VanDerWaalsContact C-N 3.34Å
443	V	90.4	Very high	91	Very high	42 Å²	42	46.8 Å²	46.8	26%	0.255	28%	0.277	S	S	.	.			trans	-86.7	118.6	-177.5	179.7	0	0	0	0	109.7	L438 K441 T447 F448	L438-V443 HydrophobicContact CD2-CB 3.97Å; L438-V443 HydrophobicContact CD2-CG1 3.96Å; L438-V443 PolarHBondContact O-N 3.48Å; K441-V443 HydrophobicContact CB-CG2 3.9Å; K441-V443 PolarHBondContact O-N 3.34Å; V443-T447 HydrophobicContact CG1-CG2 4.34Å; V443-F448 HydrophobicContact CG1-CB 4.02Å
444	T	91.3	Very high	90.8	Very high	79 Å²	79	50.1 Å²	50.1	49%	0.485	30%	0.298	S	S	.	.			trans	-71.4	148.8	176.7	75.2	0	0	0	0	111.2	T447 F448	T444-T447 WeakPolarHBondContact O-CB 3.29Å; T444-T447 PolarHBondContact O-N 2.71Å; T444-T447 PolarHBondContact OG1-N 3.04Å; T444-T447 PolarHBondContact OG1-OG1 2.81Å; T444-F448 PolarHBondContact O-N 3.31Å
445	I	90.2	Very high	90.5	Very high	18 Å²	18	57.5 Å²	57.5	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-57.9	-41.3	-179	-52.3	-45.6	0	0	0	112.8	Y416 I419 L438 T447 F448 I449	Y416-I445 WeakPolarHBondContact O-CG2 3.48Å; I419-I445 HydrophobicContact CD1-CD1 3.7Å; I419-I445 HydrophobicContact CG1-CD1 3.76Å; I419-I445 HydrophobicContact CG1-CG1 4.2Å; I419-I445 HydrophobicContact CG1-CG2 3.87Å; L438-I445 HydrophobicContact CD1-CD1 4.09Å; I445-T447 VanDerWaalsContact C-N 3.34Å; I445-T447 PolarHBondContact O-N 2.82Å; I445-F448 PolarHBondContact O-N 2.84Å; I445-I449 HydrophobicContact CG2-CD1 3.89Å; I445-I449 HydrophobicContact CG2-CG1 4.33Å; I445-I449 WeakPolarHBondContact O-CG1 3.31Å; I445-I449 PolarHBondContact O-N 2.77Å
446	P	90.4	Very high	90	Very high	42 Å²	42	56.1 Å²	56.1	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-56.9	-42	171.5	-29.2	37.8	0	0	0	113.9	T414 I449 N450	T414-P446 VanDerWaalsContact O-CB 3.27Å; T414-P446 WeakPolarHBondContact O-CB 3.45Å; T414-P446 WeakPolarHBondContact O-CG 3Å; P446-I449 PolarHBondContact O-N 2.79Å; P446-N450 WeakPolarHBondContact O-CB 3.46Å; P446-N450 PolarHBondContact O-N 2.78Å
447	T	90.9	Very high	89.5	Confident	81 Å²	81	53.4 Å²	53.4	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-44.1	177.7	-58.3	0	0	0	0	111.3	V443 T444 I445 N450 H451	V443-T447 HydrophobicContact CG1-CG2 4.34Å; T444-T447 WeakPolarHBondContact O-CB 3.29Å; T444-T447 PolarHBondContact O-N 2.71Å; T444-T447 PolarHBondContact OG1-N 3.04Å; T444-T447 PolarHBondContact OG1-OG1 2.81Å; I445-T447 VanDerWaalsContact C-N 3.34Å; I445-T447 PolarHBondContact O-N 2.82Å; T447-N450 PolarHBondContact O-N 2.85Å; T447-H451 WeakPolarHBondContact O-CB 3.32Å; T447-H451 PolarHBondContact O-N 3.13Å
448	F	91.6	Very high	88.8	Confident	5 Å²	5	59.7 Å²	59.7	2%	0.022	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-45.1	174.4	158.2	-105.7	0	0	0	112.2	I419 L434 L438 V443 T444 I445 H451 C452 A487 Y490	I419-F448 HydrophobicContact CD1-CD1 4.45Å; I419-F448 HydrophobicContact CD1-CE1 4.28Å; L434-F448 HydrophobicContact CD2-CE2 4.29Å; L434-F448 HydrophobicContact CD2-CZ 3.85Å; L438-F448 HydrophobicContact CD1-CB 4.1Å; L438-F448 HydrophobicContact CD1-CD1 3.91Å; L438-F448 HydrophobicContact CD1-CD2 3.9Å; L438-F448 HydrophobicContact CD1-CE1 4.34Å; L438-F448 HydrophobicContact CD1-CE2 4.33Å; L438-F448 HydrophobicContact CD1-CG 3.67Å; L438-F448 HydrophobicContact CD2-CB 4.06Å; L438-F448 HydrophobicContact CD2-CD2 3.89Å; L438-F448 HydrophobicContact CD2-CG 4.11Å; V443-F448 HydrophobicContact CG1-CB 4.02Å; T444-F448 PolarHBondContact O-N 3.31Å; I445-F448 PolarHBondContact O-N 2.84Å; F448-H451 PolarHBondContact O-N 2.96Å; F448-C452 WeakPolarHBondContact CE2-SG 3.49Å; F448-C452 WeakPolarHBondContact O-CB 3.25Å; F448-C452 PolarHBondContact O-N 3.12Å; F448-C452 PolarHBondContact O-SG 3.12Å; F448-A487 HydrophobicContact CZ-CB 3.84Å; F448-Y490 AromaticContact CD2-CD1 3.95Å; F448-Y490 HydrophobicContact CD2-CD1 3.95Å; F448-Y490 HydrophobicContact CD2-CD2 4.5Å; F448-Y490 AromaticContact CD2-CE1 3.97Å; F448-Y490 HydrophobicContact CD2-CE1 3.97Å; F448-Y490 HydrophobicContact CD2-CG 4.21Å; F448-Y490 AromaticContact CE2-CD1 3.51Å; F448-Y490 HydrophobicContact CE2-CD1 3.51Å; F448-Y490 HydrophobicContact CE2-CD2 4.4Å; F448-Y490 AromaticContact CE2-CE1 3.99Å; F448-Y490 HydrophobicContact CE2-CE1 3.99Å; F448-Y490 AromaticContact CE2-CG 3.72Å; F448-Y490 HydrophobicContact CE2-CG 3.72Å
449	I	90.2	Very high	87.9	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-65.6	-44.1	177.5	-68.2	173.5	0	0	0	110.7	L413 T414 Y416 I445 P446 H451 C452 L453 L483	L413-I449 HydrophobicContact CB-CG2 4.24Å; L413-I449 WeakPolarHBondContact O-CD1 3.42Å; T414-I449 HydrophobicContact CG2-CG2 4.07Å; Y416-I449 HydrophobicContact CD2-CD1 4.2Å; Y416-I449 HydrophobicContact CG-CD1 4.46Å; I445-I449 HydrophobicContact CG2-CD1 3.89Å; I445-I449 HydrophobicContact CG2-CG1 4.33Å; I445-I449 WeakPolarHBondContact O-CG1 3.31Å; I445-I449 PolarHBondContact O-N 2.77Å; P446-I449 PolarHBondContact O-N 2.79Å; I449-H451 PolarHBondContact O-N 3.45Å; I449-C452 WeakPolarHBondContact O-CB 3.4Å; I449-C452 PolarHBondContact O-N 3.44Å; I449-L453 HydrophobicContact CG2-CD1 3.99Å; I449-L453 HydrophobicContact CG2-CG 4.28Å; I449-L453 WeakPolarHBondContact O-CG 3.36Å; I449-L453 PolarHBondContact O-N 2.84Å; I449-L483 HydrophobicContact CD1-CD2 4.37Å; I449-L483 HydrophobicContact CG1-CD2 4.12Å; I449-L483 HydrophobicContact CG2-CD2 3.8Å
450	N	90.3	Very high	86.9	Confident	89 Å²	89	60.4 Å²	60.4	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-42.4	178	-168.4	16.5	0	0	0	112.1	T414 P446 T447 L453 T454	T414-N450 HydrophobicContact CG2-CB 4Å; P446-N450 WeakPolarHBondContact O-CB 3.46Å; P446-N450 PolarHBondContact O-N 2.78Å; T447-N450 PolarHBondContact O-N 2.85Å; N450-L453 PolarHBondContact O-N 2.82Å; N450-T454 WeakPolarHBondContact O-CB 3.24Å; N450-T454 PolarHBondContact O-N 3.06Å; N450-T454 PolarHBondContact O-OG1 3.15Å
451	H	90.3	Very high	85.9	Confident	65 Å²	65	61.2 Å²	61.2	30%	0.301	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-48.5	171.9	-180	-86.6	0	0	0	111.1	T447 F448 I449 L453 T454 Y455 Y490	T447-H451 WeakPolarHBondContact O-CB 3.32Å; T447-H451 PolarHBondContact O-N 3.13Å; F448-H451 PolarHBondContact O-N 2.96Å; I449-H451 PolarHBondContact O-N 3.45Å; H451-L453 PolarHBondContact O-N 2.72Å; H451-T454 PolarHBondContact O-N 2.94Å; H451-T454 VanDerWaalsContact O-N 3.16Å; H451-Y455 AromaticContact CD2-CD2 3.53Å; H451-Y455 AromaticContact CD2-CE2 3.5Å; H451-Y455 VanDerWaalsContact CD2-CE2 3.5Å; H451-Y455 WeakPolarHBondContact CD2-CE2 3.14Å; H451-Y455 AromaticContact CE1-CD2 3.78Å; H451-Y455 AromaticContact CG-CD2 3.93Å; H451-Y455 AromaticContact NE2-CD2 3.45Å; H451-Y455 WeakPolarHBondContact NE2-CD2 3.2Å; H451-Y455 AromaticContact NE2-CE2 3.54Å; H451-Y455 WeakPolarHBondContact O-CD2 3.5Å; H451-Y455 PolarHBondContact O-N 3.22Å; H451-Y490 AromaticContact CE1-CD2 3.8Å; H451-Y490 AromaticContact CE1-CE2 3.71Å; H451-Y490 AromaticContact ND1-CD2 3.6Å; H451-Y490 AromaticContact ND1-CE2 3.6Å
452	C	89.9	Confident	84.9	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.007	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-44.3	177.7	-77	0	0	0	0	113.3	F448 I449 Y456 L486	F448-C452 WeakPolarHBondContact CE2-SG 3.49Å; F448-C452 WeakPolarHBondContact O-CB 3.25Å; F448-C452 PolarHBondContact O-N 3.12Å; F448-C452 PolarHBondContact O-SG 3.12Å; I449-C452 WeakPolarHBondContact O-CB 3.4Å; I449-C452 PolarHBondContact O-N 3.44Å; C452-Y456 HydrophobicContact CB-CD2 4.42Å; C452-Y456 PolarHBondContact O-N 3.37Å; C452-L486 HydrophobicContact CB-CB 3.96Å; C452-L486 HydrophobicContact CB-CD1 4.41Å
453	L	88.2	Confident	83.6	Confident	18 Å²	18	57 Å²	57	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-36.2	175.9	-69.6	176.5	0	0	0	112.2	V410 T414 I449 N450 H451 M457 L482 L486	V410-L453 HydrophobicContact CG1-CD1 4.32Å; V410-L453 HydrophobicContact CG1-CD2 3.4Å; V410-L453 VanDerWaalsContact CG1-CD2 3.4Å; T414-L453 HydrophobicContact CG2-CD1 4.33Å; I449-L453 HydrophobicContact CG2-CD1 3.99Å; I449-L453 HydrophobicContact CG2-CG 4.28Å; I449-L453 WeakPolarHBondContact O-CG 3.36Å; I449-L453 PolarHBondContact O-N 2.84Å; N450-L453 PolarHBondContact O-N 2.82Å; H451-L453 PolarHBondContact O-N 2.72Å; L453-M457 HydrophobicContact CD2-SD 4.15Å; L453-M457 WeakPolarHBondContact O-CB 3.3Å; L453-L482 HydrophobicContact CD2-CD2 4.46Å; L453-L486 HydrophobicContact CD2-CD1 3.75Å
454	T	87.5	Confident	82.3	Confident	90 Å²	90	61 Å²	61	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-71.3	-43.9	-179.5	-58.1	0	0	0	0	112.1	N450 H451	N450-T454 WeakPolarHBondContact O-CB 3.24Å; N450-T454 PolarHBondContact O-N 3.06Å; N450-T454 PolarHBondContact O-OG1 3.15Å; H451-T454 PolarHBondContact O-N 2.94Å; H451-T454 VanDerWaalsContact O-N 3.16Å
455	Y	84.9	Confident	80.7	Confident	157 Å²	157	63 Å²	63	62%	0.616	35%	0.349	S	S	*	.	H	α-helix	trans	-95.9	-30.6	-170.7	-73.5	-79.4	0	0	0	115.2	H451	H451-Y455 AromaticContact CD2-CD2 3.53Å; H451-Y455 AromaticContact CD2-CE2 3.5Å; H451-Y455 VanDerWaalsContact CD2-CE2 3.5Å; H451-Y455 WeakPolarHBondContact CD2-CE2 3.14Å; H451-Y455 AromaticContact CE1-CD2 3.78Å; H451-Y455 AromaticContact CG-CD2 3.93Å; H451-Y455 AromaticContact NE2-CD2 3.45Å; H451-Y455 WeakPolarHBondContact NE2-CD2 3.2Å; H451-Y455 AromaticContact NE2-CE2 3.54Å; H451-Y455 WeakPolarHBondContact O-CD2 3.5Å; H451-Y455 PolarHBondContact O-N 3.22Å
456	Y	82.8	Confident	79.6	Confident	30 Å²	30	63.7 Å²	63.7	12%	0.118	36%	0.355	C	S	.	.	H	α-helix	trans	-117.1	-4.8	-171.6	-45.8	-63.6	0	0	0	114.8	C452 N458 T459 T460 Q489 Y490 T493	C452-Y456 HydrophobicContact CB-CD2 4.42Å; C452-Y456 PolarHBondContact O-N 3.37Å; Y456-N458 VanDerWaalsContact C-N 3.32Å; Y456-N458 PolarHBondContact O-N 2.88Å; Y456-T459 WeakPolarHBondContact CA-OG1 3.15Å; Y456-T459 PolarHBondContact O-N 2.77Å; Y456-T459 VanDerWaalsContact O-N 3.15Å; Y456-T459 PolarHBondContact O-OG1 3.01Å; Y456-T459 VanDerWaalsContact O-OG1 3.06Å; Y456-T460 VanDerWaalsContact O-CB 3.25Å; Y456-T460 WeakPolarHBondContact O-CB 3.47Å; Y456-T460 PolarHBondContact O-N 3.41Å; Y456-T460 VanDerWaalsContact O-N 3.12Å; Y456-T460 PolarHBondContact O-OG1 3.38Å; Y456-Q489 HydrophobicContact CD1-CB 3.92Å; Y456-Q489 HydrophobicContact CD2-CB 4.15Å; Y456-Q489 HydrophobicContact CE1-CB 4.27Å; Y456-Q489 HydrophobicContact CG-CB 3.85Å; Y456-Y490 HydrophobicContact CE2-CD2 4.14Å; Y456-T493 HydrophobicContact CE1-CG2 4.44Å; Y456-T493 PolarHBondContact OH-OG1 2.74Å
457	M	81.3	Confident	78.8	Confident	24 Å²	24	68.3 Å²	68.3	12%	0.118	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-62.6	-38.2	-178	-174.9	165.7	-168.7	0	0	112.7	V410 L453 T459 L468 N469	V410-M457 HydrophobicContact CB-CE 4Å; V410-M457 HydrophobicContact CG1-CE 3.53Å; V410-M457 HydrophobicContact CG1-SD 4.03Å; V410-M457 HydrophobicContact CG2-CE 4.09Å; L453-M457 HydrophobicContact CD2-SD 4.15Å; L453-M457 WeakPolarHBondContact O-CB 3.3Å; M457-T459 VanDerWaalsContact C-N 3.28Å; M457-T459 PolarHBondContact O-N 3.32Å; M457-L468 HydrophobicContact CE-CB 3.69Å; M457-N469 WeakPolarHBondContact CE-O 3.19Å
458	N	76.6	Confident	78.2	Confident	157 Å²	157	65.8 Å²	65.8	84%	0.84	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-73	-18.1	178.1	-65.1	-19.5	0	0	0	113.5	Y456	Y456-N458 VanDerWaalsContact C-N 3.32Å; Y456-N458 PolarHBondContact O-N 2.88Å
459	T	73.9	Confident	77.7	Confident	94 Å²	94	69.7 Å²	69.7	58%	0.577	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-104.4	-1.7	-178.9	57.7	0	0	0	0	113.2	Y456 M457	Y456-T459 WeakPolarHBondContact CA-OG1 3.15Å; Y456-T459 PolarHBondContact O-N 2.77Å; Y456-T459 VanDerWaalsContact O-N 3.15Å; Y456-T459 PolarHBondContact O-OG1 3.01Å; Y456-T459 VanDerWaalsContact O-OG1 3.06Å; M457-T459 VanDerWaalsContact C-N 3.28Å; M457-T459 PolarHBondContact O-N 3.32Å
460	T	72.2	Confident	77.2	Confident	22 Å²	22	70.8 Å²	70.8	14%	0.135	40%	0.4	C	S	.	.			trans	-110.2	114.4	-172.1	-62.9	0	0	0	0	112	Y456 L482 Q485 L486	Y456-T460 VanDerWaalsContact O-CB 3.25Å; Y456-T460 WeakPolarHBondContact O-CB 3.47Å; Y456-T460 PolarHBondContact O-N 3.41Å; Y456-T460 VanDerWaalsContact O-N 3.12Å; Y456-T460 PolarHBondContact O-OG1 3.38Å; T460-L482 HydrophobicContact CG2-CD1 4.06Å; T460-Q485 HydrophobicContact CG2-CB 3.49Å; T460-Q485 VanDerWaalsContact CG2-CB 3.49Å; T460-Q485 HydrophobicContact CG2-CG 4.35Å; T460-Q485 VanDerWaalsContact CG2-OE1 3.31Å; T460-L486 HydrophobicContact CG2-CD2 4.07Å; T460-L486 HydrophobicContact CG2-CG 4.44Å; T460-L486 WeakPolarHBondContact OG1-CD2 3.5Å
461	T	69	Low	76.8	Confident	107 Å²	107	71 Å²	71	66%	0.656	40%	0.401	S	S	*	.			trans	-98.4	105.7	177.3	47	0	0	0	0	111.3	Q485	T461-Q485 PolarHBondContact O-NE2 3.2Å; T461-Q485 PolarHBondContact O-OE1 2.88Å
462	I	70.1	Confident	76.5	Confident	39 Å²	39	68 Å²	68	20%	0.2	39%	0.388	C	S	.	.	S	Bend	trans	-76.4	-40.9	167.9	-42.1	178.2	0	0	0	110.5	V385 L468 I474 R481 L482	V385-I462 HydrophobicContact CG1-CG2 4.14Å; V385-I462 HydrophobicContact CG2-CD1 4.32Å; I462-L468 HydrophobicContact CD1-CD1 3.38Å; I462-L468 HydrophobicContact CG1-CD1 4.19Å; I462-I474 HydrophobicContact CD1-CD1 3.92Å; I462-R481 HydrophobicContact CG2-CB 4.44Å; I462-L482 HydrophobicContact CD1-CB 3.49Å; I462-L482 VanDerWaalsContact CD1-CB 3.49Å; I462-L482 HydrophobicContact CD1-CD1 3.79Å; I462-L482 HydrophobicContact CD1-CD2 4.21Å; I462-L482 HydrophobicContact CD1-CG 3.98Å; I462-L482 HydrophobicContact CG1-CB 4.23Å; I462-L482 HydrophobicContact CG1-CD1 3.87Å
463	S	63.9	Low	76.4	Confident	32 Å²	32	68.5 Å²	68.5	22%	0.224	39%	0.39	C	S	.	.			trans	-147.2	131.5	-176.3	173.5	0	0	0	0	108.4	L465 C466	S463-L465 PolarHBondContact O-N 3.2Å; S463-L465 PolarHBondContact OG-N 2.93Å; S463-C466 PolarHBondContact O-N 2.99Å
464	S	61.6	Low	76.4	Confident	125 Å²	125	67.6 Å²	67.6	87%	0.874	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-5.8	176.8	-43.3	0	0	0	0	113.6
465	L	59.1	Low	76.5	Confident	122 Å²	122	63.6 Å²	63.6	64%	0.639	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-3.3	-172.8	-55.4	175	0	0	0	113.9	S463	S463-L465 PolarHBondContact O-N 3.2Å; S463-L465 PolarHBondContact OG-N 2.93Å
466	C	67.4	Low	76.6	Confident	32 Å²	32	60.7 Å²	60.7	22%	0.216	35%	0.351	C	S	.	.			trans	-148	126.4	178.8	61.4	0	0	0	0	113.4	S463	S463-C466 PolarHBondContact O-N 2.99Å
467	T	73.2	Confident	76.8	Confident	139 Å²	139	64.2 Å²	64.2	85%	0.853	37%	0.369	S	S	*	.			trans	-82	115.4	163.5	45.9	0	0	0	0	109
468	L	78.9	Confident	77.1	Confident	29 Å²	29	63.3 Å²	63.3	15%	0.152	37%	0.365	C	S	.	.			trans	-87.4	146.5	177.4	-62.7	175.3	0	0	0	110.5	E384 V385 M457 I462 I474 L482	E384-L468 HydrophobicContact CB-CD2 4.41Å; V385-L468 HydrophobicContact CG2-CD1 3.95Å; V385-L468 HydrophobicContact CG2-CD2 3.92Å; V385-L468 HydrophobicContact CG2-CG 4.44Å; M457-L468 HydrophobicContact CE-CB 3.69Å; I462-L468 HydrophobicContact CD1-CD1 3.38Å; I462-L468 HydrophobicContact CG1-CD1 4.19Å; L468-I474 HydrophobicContact CD1-CD1 4.08Å; L468-L482 HydrophobicContact CD1-CD2 4.39Å
469	N	80.1	Confident	77.7	Confident	87 Å²	87	55.8 Å²	55.8	47%	0.465	33%	0.325	S	S	.	.			trans	-127.2	173.7	167.1	66.4	64.7	0	0	0	110.3	M457 N471 S472	M457-N469 WeakPolarHBondContact CE-O 3.19Å; N469-N471 PolarHBondContact O-N 3.16Å; N469-N471 WeakPolarHBondContact OD1-CA 3.41Å; N469-N471 WeakPolarHBondContact OD1-CB 3.38Å; N469-N471 PolarHBondContact OD1-N 3.4Å; N469-S472 PolarHBondContact N-OG 3.46Å; N469-S472 VanDerWaalsContact N-OG 3.09Å; N469-S472 VanDerWaalsContact O-CB 3.27Å; N469-S472 WeakPolarHBondContact O-CB 3.35Å; N469-S472 PolarHBondContact O-N 2.81Å; N469-S472 PolarHBondContact OD1-N 3.26Å
470	G	78.9	Confident	78.4	Confident	28 Å²	28	54.4 Å²	54.4	29%	0.289	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.6	-177.5	0	0	0	0	0	114.9	V410 Q411	V410-G470 PolarHBondContact N-O 3.02Å; Q411-G470 WeakPolarHBondContact CB-O 3.37Å; Q411-G470 WeakPolarHBondContact CG-O 3.45Å; Q411-G470 PolarHBondContact N-O 3.11Å
471	N	82.8	Confident	79.1	Confident	94 Å²	94	60.2 Å²	60.2	50%	0.503	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.2	177.7	-71.6	-46.8	0	0	0	114.3	Q411 N469	Q411-N471 PolarHBondContact OE1-OD1 3.31Å; N469-N471 PolarHBondContact O-N 3.16Å; N469-N471 WeakPolarHBondContact OD1-CA 3.41Å; N469-N471 WeakPolarHBondContact OD1-CB 3.38Å; N469-N471 PolarHBondContact OD1-N 3.4Å
472	S	85	Confident	80	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.014	30%	0.3	C	S	.	.			trans	-56.9	138	177.8	-79.6	0	0	0	0	111.6	E384 R409 V410 N469	E384-S472 WeakPolarHBondContact OE2-CA 3.44Å; E384-S472 WeakPolarHBondContact OE2-CB 3.46Å; E384-S472 PolarHBondContact OE2-OG 3.24Å; R409-S472 CarbonylContact C-O 3.57Å; R409-S472 WeakPolarHBondContact CA-O 3.5Å; V410-S472 PolarHBondContact N-O 3.47Å; N469-S472 PolarHBondContact N-OG 3.46Å; N469-S472 VanDerWaalsContact N-OG 3.09Å; N469-S472 VanDerWaalsContact O-CB 3.27Å; N469-S472 WeakPolarHBondContact O-CB 3.35Å; N469-S472 PolarHBondContact O-N 2.81Å; N469-S472 PolarHBondContact OD1-N 3.26Å
473	L	86.3	Confident	81	Confident	10 Å²	10	53.7 Å²	53.7	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.1	-179.8	-67.1	177.5	0	0	0	111.4	R380 C383 E384 L393 L407 S408 R409	R380-L473 HydrophobicContact CB-CD1 3.61Å; R380-L473 VanDerWaalsContact O-CD1 3.23Å; R380-L473 WeakPolarHBondContact O-CD1 3.26Å; C383-L473 WeakPolarHBondContact CA-O 3.45Å; E384-L473 PolarHBondContact N-O 3.11Å; L393-L473 HydrophobicContact CD1-CD1 3.69Å; L393-L473 HydrophobicContact CD1-CD2 3.83Å; L393-L473 HydrophobicContact CD1-CG 4.43Å; L407-L473 HydrophobicContact CD1-CB 4.11Å; L407-L473 HydrophobicContact CD2-CD1 4.38Å; L407-L473 HydrophobicContact CG-CB 4.33Å; S408-L473 WeakPolarHBondContact O-CA 3.21Å; R409-L473 HydrophobicContact CG-CD2 3.81Å
474	I	88.8	Confident	82.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.2	-175.4	-158.5	164.5	0	0	0	110.4	V385 S408 V410 L413 I462 L468 C478 L482	V385-I474 HydrophobicContact CG2-CD1 3.98Å; V385-I474 HydrophobicContact CG2-CG1 4.14Å; S408-I474 PolarHBondContact N-O 3.35Å; S408-I474 PolarHBondContact O-N 2.9Å; V410-I474 HydrophobicContact CG2-CB 4.25Å; V410-I474 HydrophobicContact CG2-CD1 4.48Å; V410-I474 HydrophobicContact CG2-CG2 3.97Å; L413-I474 HydrophobicContact CD1-CG2 4.48Å; I462-I474 HydrophobicContact CD1-CD1 3.92Å; L468-I474 HydrophobicContact CD1-CD1 4.08Å; I474-C478 VanDerWaalsContact CD1-C 3.49Å; I474-C478 HydrophobicContact CD1-CB 3.84Å; I474-C478 WeakPolarHBondContact CD1-O 3.12Å; I474-C478 HydrophobicContact CG1-CB 3.44Å; I474-C478 VanDerWaalsContact CG1-CB 3.44Å; I474-L482 HydrophobicContact CD1-CB 4.33Å; I474-L482 HydrophobicContact CD1-CD2 4.23Å
475	C	89.8	Confident	83.5	Confident	6 Å²	6	49.9 Å²	49.9	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	160.5	174	72.4	0	0	0	0	110.8	C383 C386 F390 C406 H477 C478 G479	C383-C475 HydrophobicContact CB-CB 3.84Å; C383-C475 PolarHBondContact SG-N 2.93Å; C386-C475 VanDerWaalsContact SG-SG 3.64Å; F390-C475 HydrophobicContact CD2-CB 3.92Å; F390-C475 HydrophobicContact CE1-CB 3.98Å; F390-C475 HydrophobicContact CE2-CB 3.27Å; F390-C475 HydrophobicContact CZ-CB 3.29Å; C406-C475 WeakPolarHBondContact O-CA 3.33Å; C406-C475 VanDerWaalsContact O-CB 3.3Å; C406-C475 WeakPolarHBondContact O-CB 3.36Å; C475-H477 VanDerWaalsContact C-N 3.28Å; C475-H477 PolarHBondContact O-N 3.21Å; C475-H477 VanDerWaalsContact O-N 3.15Å; C475-C478 PolarHBondContact O-N 3.14Å; C475-C478 VanDerWaalsContact O-N 3.08Å; C475-C478 VanDerWaalsContact SG-SG 3.63Å; C475-G479 PolarHBondContact O-N 3.04Å
476	K	87.1	Confident	85	Confident	95 Å²	95	44 Å²	44	41%	0.413	23%	0.229	S	C	.	.	H	α-helix	trans	-46.5	-48.1	-179.7	-179.4	172.2	177.1	171.9	0	113.7	C406 G479 E480	C406-K476 PolarHBondContact O-N 3.43Å; K476-G479 PolarHBondContact O-N 3.35Å; K476-E480 WeakPolarHBondContact CE-OE1 3.22Å; K476-E480 IonicContact NZ-OE1 3.67Å; K476-E480 WeakPolarHBondContact O-CG 3.38Å; K476-E480 PolarHBondContact O-N 3.31Å
477	H	86.5	Confident	86.1	Confident	105 Å²	105	42.6 Å²	42.6	49%	0.486	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-43	-178.5	-175	70.9	0	0	0	113.2	C475 G479 R481	C475-H477 VanDerWaalsContact C-N 3.28Å; C475-H477 PolarHBondContact O-N 3.21Å; C475-H477 VanDerWaalsContact O-N 3.15Å; H477-G479 VanDerWaalsContact C-N 3.33Å; H477-R481 PolarHBondContact NE2-NE 3.21Å; H477-R481 PolarHBondContact NE2-NH2 2.74Å; H477-R481 WeakPolarHBondContact O-CG 3.32Å; H477-R481 PolarHBondContact O-N 3.46Å; H477-R481 VanDerWaalsContact O-N 3.07Å
478	C	88.7	Confident	87	Confident	4 Å²	4	36 Å²	36	3%	0.027	18%	0.179	C	C	.	.	H	α-helix	trans	-71	-31.6	175.8	-67	0	0	0	0	111.6	V385 I474 C475 R481 L482	V385-C478 HydrophobicContact CB-CB 4.08Å; V385-C478 HydrophobicContact CG1-CB 4.32Å; V385-C478 HydrophobicContact CG2-CB 4.27Å; I474-C478 VanDerWaalsContact CD1-C 3.49Å; I474-C478 HydrophobicContact CD1-CB 3.84Å; I474-C478 WeakPolarHBondContact CD1-O 3.12Å; I474-C478 HydrophobicContact CG1-CB 3.44Å; I474-C478 VanDerWaalsContact CG1-CB 3.44Å; C475-C478 PolarHBondContact O-N 3.14Å; C475-C478 VanDerWaalsContact O-N 3.08Å; C475-C478 VanDerWaalsContact SG-SG 3.63Å; C478-R481 PolarHBondContact O-N 3.09Å; C478-L482 PolarHBondContact O-N 3.34Å
479	G	89.2	Confident	87.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-44.2	173.1	0	0	0	0	0	112.5	C475 K476 H477 R481 L482 L483	C475-G479 PolarHBondContact O-N 3.04Å; K476-G479 PolarHBondContact O-N 3.35Å; H477-G479 VanDerWaalsContact C-N 3.33Å; G479-R481 VanDerWaalsContact C-N 3.32Å; G479-R481 PolarHBondContact O-N 2.6Å; G479-L482 WeakPolarHBondContact O-CB 3.37Å; G479-L482 PolarHBondContact O-N 3.47Å; G479-L483 WeakPolarHBondContact O-CB 3.37Å; G479-L483 VanDerWaalsContact O-CG 3.28Å; G479-L483 WeakPolarHBondContact O-CG 3.36Å; G479-L483 PolarHBondContact O-N 2.88Å
480	E	87.3	Confident	88.1	Confident	64 Å²	64	34.9 Å²	34.9	30%	0.299	17%	0.169	S	C	.	.	H	α-helix	trans	-61.6	-39.1	172.6	-74	176	-172.3	0	0	111.4	K476 S484	K476-E480 WeakPolarHBondContact CE-OE1 3.22Å; K476-E480 IonicContact NZ-OE1 3.67Å; K476-E480 WeakPolarHBondContact O-CG 3.38Å; K476-E480 PolarHBondContact O-N 3.31Å; E480-S484 WeakPolarHBondContact O-CB 3.26Å; E480-S484 PolarHBondContact O-N 3.02Å
481	R	87.6	Confident	88.7	Confident	144 Å²	144	34.4 Å²	34.4	54%	0.543	16%	0.158	S	C	.	.	H	α-helix	trans	-64.2	-43.3	172.2	-75.1	179.9	172.1	-172	-1.7	113.3	I462 H477 C478 G479 S484 Q485	I462-R481 HydrophobicContact CG2-CB 4.44Å; H477-R481 PolarHBondContact NE2-NE 3.21Å; H477-R481 PolarHBondContact NE2-NH2 2.74Å; H477-R481 WeakPolarHBondContact O-CG 3.32Å; H477-R481 PolarHBondContact O-N 3.46Å; H477-R481 VanDerWaalsContact O-N 3.07Å; C478-R481 PolarHBondContact O-N 3.09Å; G479-R481 VanDerWaalsContact C-N 3.32Å; G479-R481 PolarHBondContact O-N 2.6Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3.12Å; R481-Q485 PolarHBondContact O-N 3.09Å
482	L	88.9	Confident	89.1	Confident	3 Å²	3	34 Å²	34	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-57.9	-55.1	174.4	-179.9	49.3	0	0	0	110.5	V410 L413 L453 T460 I462 L468 I474 C478 G479 S484 Q485 L486	V410-L482 HydrophobicContact CG1-CD2 3.7Å; V410-L482 HydrophobicContact CG2-CD2 4.2Å; L413-L482 HydrophobicContact CD1-CD2 4.21Å; L453-L482 HydrophobicContact CD2-CD2 4.46Å; T460-L482 HydrophobicContact CG2-CD1 4.06Å; I462-L482 HydrophobicContact CD1-CB 3.49Å; I462-L482 VanDerWaalsContact CD1-CB 3.49Å; I462-L482 HydrophobicContact CD1-CD1 3.79Å; I462-L482 HydrophobicContact CD1-CD2 4.21Å; I462-L482 HydrophobicContact CD1-CG 3.98Å; I462-L482 HydrophobicContact CG1-CB 4.23Å; I462-L482 HydrophobicContact CG1-CD1 3.87Å; L468-L482 HydrophobicContact CD1-CD2 4.39Å; I474-L482 HydrophobicContact CD1-CB 4.33Å; I474-L482 HydrophobicContact CD1-CD2 4.23Å; C478-L482 PolarHBondContact O-N 3.34Å; G479-L482 WeakPolarHBondContact O-CB 3.37Å; G479-L482 PolarHBondContact O-N 3.47Å; L482-S484 PolarHBondContact O-N 2.97Å; L482-Q485 PolarHBondContact O-N 3.13Å; L482-Q485 VanDerWaalsContact O-N 3.08Å; L482-L486 HydrophobicContact CD1-CD1 3.73Å; L482-L486 HydrophobicContact CD1-CD2 4.19Å; L482-L486 HydrophobicContact CD1-CG 3.8Å; L482-L486 HydrophobicContact CD2-CD1 4.42Å; L482-L486 HydrophobicContact CG-CD1 3.69Å; L482-L486 HydrophobicContact CG-CG 4.22Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 2.88Å
483	L	89.6	Confident	89.3	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-33.8	-179.1	-67.1	171.5	0	0	0	111.5	L413 Y416 L423 I449 G479 A487	L413-L483 HydrophobicContact CB-CD1 4.36Å; L413-L483 HydrophobicContact CB-CD2 4.41Å; L413-L483 HydrophobicContact CD1-CD1 4.41Å; L413-L483 HydrophobicContact CD1-CD2 4.28Å; L413-L483 HydrophobicContact CD1-CG 4.16Å; L413-L483 HydrophobicContact CD2-CD1 4.41Å; Y416-L483 HydrophobicContact CD2-CD1 3.87Å; Y416-L483 HydrophobicContact CE2-CD1 3.79Å; L423-L483 HydrophobicContact CD1-CB 3.62Å; I449-L483 HydrophobicContact CD1-CD2 4.37Å; I449-L483 HydrophobicContact CG1-CD2 4.12Å; I449-L483 HydrophobicContact CG2-CD2 3.8Å; G479-L483 WeakPolarHBondContact O-CB 3.37Å; G479-L483 VanDerWaalsContact O-CG 3.28Å; G479-L483 WeakPolarHBondContact O-CG 3.36Å; G479-L483 PolarHBondContact O-N 2.88Å; L483-A487 WeakPolarHBondContact O-CB 3.27Å; L483-A487 PolarHBondContact O-N 3.09Å
484	S	90.3	Very high	89.5	Confident	22 Å²	22	37.9 Å²	37.9	15%	0.154	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-47.5	173.2	-165.9	0	0	0	0	112.4	L423 L425 E480 R481 L482 Y488	L423-S484 WeakPolarHBondContact O-CA 3.36Å; L423-S484 WeakPolarHBondContact O-CB 3.33Å; L423-S484 PolarHBondContact O-OG 3Å; L425-S484 PolarHBondContact N-OG 2.93Å; E480-S484 WeakPolarHBondContact O-CB 3.26Å; E480-S484 PolarHBondContact O-N 3.02Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3.12Å; L482-S484 PolarHBondContact O-N 2.97Å; S484-Y488 WeakPolarHBondContact O-CB 3.28Å; S484-Y488 PolarHBondContact O-N 3.02Å; S484-Y488 VanDerWaalsContact O-N 3.08Å
485	Q	88.2	Confident	89.5	Confident	55 Å²	55	41.3 Å²	41.3	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-69	-43.8	178.9	-66.6	178.2	-43.5	0	0	112.1	T460 T461 R481 L482 Y488 Q489	T460-Q485 HydrophobicContact CG2-CB 3.49Å; T460-Q485 VanDerWaalsContact CG2-CB 3.49Å; T460-Q485 HydrophobicContact CG2-CG 4.35Å; T460-Q485 VanDerWaalsContact CG2-OE1 3.31Å; T461-Q485 PolarHBondContact O-NE2 3.2Å; T461-Q485 PolarHBondContact O-OE1 2.88Å; R481-Q485 PolarHBondContact O-N 3.09Å; L482-Q485 PolarHBondContact O-N 3.13Å; L482-Q485 VanDerWaalsContact O-N 3.08Å; Q485-Y488 WeakPolarHBondContact O-CB 3.41Å; Q485-Y488 PolarHBondContact O-N 3.38Å; Q485-Q489 PolarHBondContact O-N 3.47Å; Q485-Q489 VanDerWaalsContact O-N 3.13Å
486	L	90.1	Very high	89.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-42.2	178.2	-60.8	170.5	0	0	0	111.8	C452 L453 T460 L482 Y488 Q489 Y490	C452-L486 HydrophobicContact CB-CB 3.96Å; C452-L486 HydrophobicContact CB-CD1 4.41Å; L453-L486 HydrophobicContact CD2-CD1 3.75Å; T460-L486 HydrophobicContact CG2-CD2 4.07Å; T460-L486 HydrophobicContact CG2-CG 4.44Å; T460-L486 WeakPolarHBondContact OG1-CD2 3.5Å; L482-L486 HydrophobicContact CD1-CD1 3.73Å; L482-L486 HydrophobicContact CD1-CD2 4.19Å; L482-L486 HydrophobicContact CD1-CG 3.8Å; L482-L486 HydrophobicContact CD2-CD1 4.42Å; L482-L486 HydrophobicContact CG-CD1 3.69Å; L482-L486 HydrophobicContact CG-CG 4.22Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 2.88Å; L486-Y488 VanDerWaalsContact C-N 3.29Å; L486-Y488 PolarHBondContact O-N 3.17Å; L486-Q489 PolarHBondContact O-N 3.05Å; L486-Y490 PolarHBondContact O-N 3.31Å
487	A	91.5	Very high	89.3	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-36.1	176.1	0	0	0	0	0	111.6	L423 L424 L434 F448 L483 Y490 R491	L423-A487 HydrophobicContact CD2-CB 4.12Å; L423-A487 HydrophobicContact CG-CB 4.44Å; L424-A487 VanDerWaalsContact CD2-C 3.47Å; L424-A487 HydrophobicContact CD2-CB 3.64Å; L424-A487 HydrophobicContact CG-CB 4.26Å; L434-A487 HydrophobicContact CD2-CB 4.08Å; F448-A487 HydrophobicContact CZ-CB 3.84Å; L483-A487 WeakPolarHBondContact O-CB 3.27Å; L483-A487 PolarHBondContact O-N 3.09Å; A487-Y490 PolarHBondContact O-N 3.48Å; A487-R491 WeakPolarHBondContact O-CB 3.45Å; A487-R491 PolarHBondContact O-N 3.19Å
488	Y	91.8	Very high	89.4	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-43.2	174.4	-178.9	-93.2	0	0	0	111.4	L425 S484 Q485 L486 R491 L492 R513 I531 E533	L425-Y488 HydrophobicContact CD1-CD2 3.87Å; L425-Y488 HydrophobicContact CD1-CE2 3.88Å; L425-Y488 HydrophobicContact CD2-CD2 4.2Å; L425-Y488 HydrophobicContact CG-CD2 4.14Å; S484-Y488 WeakPolarHBondContact O-CB 3.28Å; S484-Y488 PolarHBondContact O-N 3.02Å; S484-Y488 VanDerWaalsContact O-N 3.08Å; Q485-Y488 WeakPolarHBondContact O-CB 3.41Å; Q485-Y488 PolarHBondContact O-N 3.38Å; L486-Y488 VanDerWaalsContact C-N 3.29Å; L486-Y488 PolarHBondContact O-N 3.17Å; Y488-R491 PolarHBondContact O-N 2.85Å; Y488-L492 HydrophobicContact CD1-CD1 3.93Å; Y488-L492 HydrophobicContact CE1-CD1 3.52Å; Y488-L492 HydrophobicContact CE1-CG 4.21Å; Y488-L492 WeakPolarHBondContact O-CG 3.37Å; Y488-L492 PolarHBondContact O-N 3Å; Y488-R513 HydrophobicContact CE2-CB 3.84Å; Y488-I531 HydrophobicContact CD2-CD1 3.99Å; Y488-I531 HydrophobicContact CE2-CD1 4.11Å; Y488-I531 HydrophobicContact CE2-CG2 4.42Å; Y488-E533 PolarHBondContact OH-OE1 3.34Å
489	Q	89.6	Confident	89.4	Confident	65 Å²	65	46.3 Å²	46.3	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-47.4	173.9	-66.3	-65.7	-2.5	0	0	112	Y456 Q485 L486 R491 L492 T493	Y456-Q489 HydrophobicContact CD1-CB 3.92Å; Y456-Q489 HydrophobicContact CD2-CB 4.15Å; Y456-Q489 HydrophobicContact CE1-CB 4.27Å; Y456-Q489 HydrophobicContact CG-CB 3.85Å; Q485-Q489 PolarHBondContact O-N 3.47Å; Q485-Q489 VanDerWaalsContact O-N 3.13Å; L486-Q489 PolarHBondContact O-N 3.05Å; Q489-R491 VanDerWaalsContact C-N 3.33Å; Q489-R491 PolarHBondContact O-N 3.21Å; Q489-L492 WeakPolarHBondContact O-CB 3.34Å; Q489-L492 PolarHBondContact O-N 3.39Å; Q489-T493 PolarHBondContact O-N 3.07Å
490	Y	91.5	Very high	89.4	Confident	28 Å²	28	49.8 Å²	49.8	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-45.5	175	-176.6	-96.7	0	0	0	111.9	L434 Y437 L438 F448 H451 Y456 L486 A487 L492 T493 I494	L434-Y490 HydrophobicContact CD1-CD1 3.92Å; L434-Y490 HydrophobicContact CD1-CE1 4.06Å; Y437-Y490 HydrophobicContact CE1-CE1 4.11Å; L438-Y490 HydrophobicContact CD2-CE1 3.98Å; F448-Y490 AromaticContact CD2-CD1 3.95Å; F448-Y490 HydrophobicContact CD2-CD1 3.95Å; F448-Y490 HydrophobicContact CD2-CD2 4.5Å; F448-Y490 AromaticContact CD2-CE1 3.97Å; F448-Y490 HydrophobicContact CD2-CE1 3.97Å; F448-Y490 HydrophobicContact CD2-CG 4.21Å; F448-Y490 AromaticContact CE2-CD1 3.51Å; F448-Y490 HydrophobicContact CE2-CD1 3.51Å; F448-Y490 HydrophobicContact CE2-CD2 4.4Å; F448-Y490 AromaticContact CE2-CE1 3.99Å; F448-Y490 HydrophobicContact CE2-CE1 3.99Å; F448-Y490 AromaticContact CE2-CG 3.72Å; F448-Y490 HydrophobicContact CE2-CG 3.72Å; H451-Y490 AromaticContact CE1-CD2 3.8Å; H451-Y490 AromaticContact CE1-CE2 3.71Å; H451-Y490 AromaticContact ND1-CD2 3.6Å; H451-Y490 AromaticContact ND1-CE2 3.6Å; Y456-Y490 HydrophobicContact CE2-CD2 4.14Å; L486-Y490 PolarHBondContact O-N 3.31Å; A487-Y490 PolarHBondContact O-N 3.48Å; Y490-L492 VanDerWaalsContact C-N 3.25Å; Y490-L492 PolarHBondContact O-N 2.94Å; Y490-T493 PolarHBondContact O-N 3.42Å; Y490-T493 PolarHBondContact O-OG1 3.35Å; Y490-I494 HydrophobicContact CD1-CD1 4.15Å; Y490-I494 HydrophobicContact CD1-CG1 4.44Å; Y490-I494 HydrophobicContact CE1-CD1 3.93Å; Y490-I494 HydrophobicContact CE1-CG1 4.21Å; Y490-I494 PolarHBondContact O-N 3.02Å
491	R	92.1	Very high	89.4	Confident	17 Å²	17	52.3 Å²	52.3	6%	0.064	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-25.4	-179.4	177.3	57.4	-173.8	85.3	4.7	113.4	L424 E430 A487 Y488 Q489 I531	L424-R491 HydrophobicContact CD1-CB 4.46Å; L424-R491 HydrophobicContact CD1-CG 4.26Å; E430-R491 IonicContact OE2-NH2 3.96Å; A487-R491 WeakPolarHBondContact O-CB 3.45Å; A487-R491 PolarHBondContact O-N 3.19Å; Y488-R491 PolarHBondContact O-N 2.85Å; Q489-R491 VanDerWaalsContact C-N 3.33Å; Q489-R491 PolarHBondContact O-N 3.21Å; R491-I531 HydrophobicContact CG-CD1 3.8Å; R491-I531 HydrophobicContact CG-CG1 3.8Å; R491-I531 HydrophobicContact CG-CG2 4Å
492	L	90.6	Very high	89.4	Confident	86 Å²	86	50.6 Å²	50.6	45%	0.45	28%	0.28	S	S	.	.	H	α-helix	trans	-73.8	-26.4	169.9	-74.9	170.6	0	0	0	113.2	Y488 Q489 Y490 I531	Y488-L492 HydrophobicContact CD1-CD1 3.93Å; Y488-L492 HydrophobicContact CE1-CD1 3.52Å; Y488-L492 HydrophobicContact CE1-CG 4.21Å; Y488-L492 WeakPolarHBondContact O-CG 3.37Å; Y488-L492 PolarHBondContact O-N 3Å; Q489-L492 WeakPolarHBondContact O-CB 3.34Å; Q489-L492 PolarHBondContact O-N 3.39Å; Y490-L492 VanDerWaalsContact C-N 3.25Å; Y490-L492 PolarHBondContact O-N 2.94Å; L492-I531 HydrophobicContact CD2-CG2 3.71Å; L492-I531 HydrophobicContact CG-CG2 4.19Å
493	T	89.5	Confident	89.3	Confident	80 Å²	80	50.9 Å²	50.9	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-83.9	-10.1	178.7	64.3	0	0	0	0	114.5	Y456 Q489 Y490 C495	Y456-T493 HydrophobicContact CE1-CG2 4.44Å; Y456-T493 PolarHBondContact OH-OG1 2.74Å; Q489-T493 PolarHBondContact O-N 3.07Å; Y490-T493 PolarHBondContact O-N 3.42Å; Y490-T493 PolarHBondContact O-OG1 3.35Å; T493-C495 PolarHBondContact O-N 3.44Å
494	I	90.8	Very high	89.3	Confident	13 Å²	13	54 Å²	54	7%	0.067	30%	0.298	C	S	.	.	S	Bend	trans	-72.1	122.1	177.3	-62.2	172.1	0	0	0	109.4	L434 Y437 Y490 L499	L434-I494 HydrophobicContact CD1-CD1 4.09Å; Y437-I494 HydrophobicContact CD1-CD1 3.55Å; Y437-I494 HydrophobicContact CD1-CG1 4.44Å; Y437-I494 HydrophobicContact CD2-CD1 4.39Å; Y437-I494 HydrophobicContact CD2-CG2 4.04Å; Y437-I494 HydrophobicContact CE1-CD1 3.45Å; Y437-I494 VanDerWaalsContact CE1-CD1 3.45Å; Y437-I494 HydrophobicContact CE1-CG1 3.87Å; Y437-I494 HydrophobicContact CE1-CG2 4.48Å; Y437-I494 HydrophobicContact CE2-CD1 4.31Å; Y437-I494 HydrophobicContact CE2-CG1 4.43Å; Y437-I494 HydrophobicContact CE2-CG2 3.53Å; Y437-I494 HydrophobicContact CG-CD1 4.04Å; Y490-I494 HydrophobicContact CD1-CD1 4.15Å; Y490-I494 HydrophobicContact CD1-CG1 4.44Å; Y490-I494 HydrophobicContact CE1-CD1 3.93Å; Y490-I494 HydrophobicContact CE1-CG1 4.21Å; Y490-I494 PolarHBondContact O-N 3.02Å; I494-L499 HydrophobicContact CG2-CD1 4.31Å; I494-L499 HydrophobicContact CG2-CD2 4.03Å; I494-L499 HydrophobicContact CG2-CG 4.03Å
495	C	88.2	Confident	89.3	Confident	73 Å²	73	59.1 Å²	59.1	49%	0.493	32%	0.323	S	S	.	.			trans	-62.8	134.8	178.1	-61.7	0	0	0	0	111.4	T493 N497 E498	T493-C495 PolarHBondContact O-N 3.44Å; C495-N497 WeakPolarHBondContact CB-OD1 3.4Å; C495-N497 PolarHBondContact O-N 3.04Å; C495-N497 VanDerWaalsContact O-N 3.09Å; C495-E498 HydrophobicContact CB-CG 4.24Å; C495-E498 PolarHBondContact O-N 2.78Å
496	S	86.6	Confident	89.4	Confident	79 Å²	79	57.8 Å²	57.8	55%	0.552	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-57.3	-31.2	-174.2	-48.1	0	0	0	0	113.9	E498 L499 I504	S496-E498 PolarHBondContact O-N 2.77Å; S496-L499 PolarHBondContact O-N 2.68Å; S496-I504 WeakPolarHBondContact O-CD1 3.49Å; S496-I504 WeakPolarHBondContact O-CG1 3.39Å
497	N	87	Confident	89.5	Confident	138 Å²	138	61.5 Å²	61.5	74%	0.738	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-70.1	-10.6	179.5	65.7	-35.4	0	0	0	114.4	C495	C495-N497 WeakPolarHBondContact CB-OD1 3.4Å; C495-N497 PolarHBondContact O-N 3.04Å; C495-N497 VanDerWaalsContact O-N 3.09Å
498	E	88.1	Confident	89.6	Confident	80 Å²	80	65.8 Å²	65.8	37%	0.374	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-95.4	-2.9	176.5	-50.2	-160.1	138.8	0	0	113.1	Y437 K441 C495 S496	Y437-E498 HydrophobicContact CE2-CB 4.04Å; Y437-E498 PolarHBondContact OH-OE2 3.43Å; K441-E498 WeakPolarHBondContact CE-OE2 3.33Å; K441-E498 IonicContact NZ-OE1 2.74Å; K441-E498 PolarHBondContact NZ-OE1 3.2Å; K441-E498 IonicContact NZ-OE2 3.12Å; K441-E498 PolarHBondContact NZ-OE2 3.41Å; C495-E498 HydrophobicContact CB-CG 4.24Å; C495-E498 PolarHBondContact O-N 2.78Å; S496-E498 PolarHBondContact O-N 2.77Å
499	L	89.1	Confident	89.6	Confident	17 Å²	17	65.9 Å²	65.9	9%	0.089	36%	0.364	C	S	.	.	S	Bend	trans	-102.2	151.2	177.6	-62.1	173	0	0	0	109.9	I433 Y437 I494 S496 V503 I504	I433-L499 HydrophobicContact CG2-CD2 4.26Å; Y437-L499 HydrophobicContact CD2-CD2 4.15Å; I494-L499 HydrophobicContact CG2-CD1 4.31Å; I494-L499 HydrophobicContact CG2-CD2 4.03Å; I494-L499 HydrophobicContact CG2-CG 4.03Å; S496-L499 PolarHBondContact O-N 2.68Å; L499-V503 HydrophobicContact CD1-CG1 4.47Å; L499-I504 HydrophobicContact CB-CG1 4.35Å
500	P	89.3	Confident	89.6	Confident	73 Å²	73	67.4 Å²	67.4	47%	0.474	37%	0.368	S	S	.	.			trans	-71.4	148.9	178.9	29.1	-32.5	0	0	0	111.3	D502 V503 I504	P500-D502 VanDerWaalsContact CB-OD1 3.3Å; P500-D502 WeakPolarHBondContact CB-OD1 3.5Å; P500-D502 WeakPolarHBondContact CG-OD1 3.31Å; P500-D502 PolarHBondContact O-N 3.04Å; P500-D502 VanDerWaalsContact O-N 3.09Å; P500-V503 HydrophobicContact CG-CG2 3.96Å; P500-V503 WeakPolarHBondContact O-CB 3.46Å; P500-V503 PolarHBondContact O-N 2.77Å; P500-I504 PolarHBondContact O-N 3.01Å
501	N	87.2	Confident	89.5	Confident	117 Å²	117	72.1 Å²	72.1	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-58.8	-27.1	-169.8	-70.7	-31.4	0	0	0	114.2	V503 I504 N505	N501-V503 PolarHBondContact O-N 2.85Å; N501-I504 PolarHBondContact O-N 2.95Å; N501-N505 WeakPolarHBondContact O-CB 3.34Å; N501-N505 VanDerWaalsContact O-CG 3.27Å; N501-N505 PolarHBondContact O-N 3.06Å; N501-N505 PolarHBondContact O-ND2 2.9Å
502	D	86.6	Confident	89.5	Confident	108 Å²	108	71.3 Å²	71.3	58%	0.578	38%	0.383	S	S	*	.	H	α-helix	trans	-69.3	-19.7	175.9	70.5	-58	0	0	0	113.3	P500 K506	P500-D502 VanDerWaalsContact CB-OD1 3.3Å; P500-D502 WeakPolarHBondContact CB-OD1 3.5Å; P500-D502 WeakPolarHBondContact CG-OD1 3.31Å; P500-D502 PolarHBondContact O-N 3.04Å; P500-D502 VanDerWaalsContact O-N 3.09Å; D502-K506 VanDerWaalsContact O-CE 3.29Å; D502-K506 WeakPolarHBondContact O-CE 3.43Å; D502-K506 VanDerWaalsContact O-CG 3.25Å; D502-K506 WeakPolarHBondContact O-CG 3.33Å
503	V	88.4	Confident	89.5	Confident	9 Å²	9	70 Å²	70	6%	0.055	37%	0.373	C	S	.	.	H	α-helix	trans	-86.6	-44.6	171.9	179.1	0	0	0	0	110.7	I433 L499 P500 N501 N505 K506	I433-V503 HydrophobicContact CD1-CG1 4.08Å; I433-V503 HydrophobicContact CD1-CG2 3.68Å; I433-V503 HydrophobicContact CG1-CG2 3.95Å; I433-V503 HydrophobicContact CG2-CG1 4.19Å; I433-V503 HydrophobicContact CG2-CG2 4.21Å; L499-V503 HydrophobicContact CD1-CG1 4.47Å; P500-V503 HydrophobicContact CG-CG2 3.96Å; P500-V503 WeakPolarHBondContact O-CB 3.46Å; P500-V503 PolarHBondContact O-N 2.77Å; N501-V503 PolarHBondContact O-N 2.85Å; V503-N505 VanDerWaalsContact C-N 3.33Å; V503-N505 PolarHBondContact O-N 2.85Å; V503-K506 PolarHBondContact O-N 3.23Å
504	I	88.9	Confident	89.4	Confident	72 Å²	72	73.3 Å²	73.3	37%	0.369	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-42.6	-178.9	-53.7	172.4	0	0	0	111.1	S496 L499 P500 N501 K506	S496-I504 WeakPolarHBondContact O-CD1 3.49Å; S496-I504 WeakPolarHBondContact O-CG1 3.39Å; L499-I504 HydrophobicContact CB-CG1 4.35Å; P500-I504 PolarHBondContact O-N 3.01Å; N501-I504 PolarHBondContact O-N 2.95Å; I504-K506 PolarHBondContact O-N 3.36Å
505	N	89.5	Confident	89.4	Confident	129 Å²	129	73 Å²	73	69%	0.69	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	5.1	-174	-68	-34.7	0	0	0	114.3	N501 V503	N501-N505 WeakPolarHBondContact O-CB 3.34Å; N501-N505 VanDerWaalsContact O-CG 3.27Å; N501-N505 PolarHBondContact O-N 3.06Å; N501-N505 PolarHBondContact O-ND2 2.9Å; V503-N505 VanDerWaalsContact C-N 3.33Å; V503-N505 PolarHBondContact O-N 2.85Å
506	K	91.3	Very high	89.4	Confident	28 Å²	28	78.5 Å²	78.5	12%	0.122	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-73.8	132.2	-180	-66	-175.6	-177.5	-177.8	0	111.1	D502 V503 I504 R526 N529	D502-K506 VanDerWaalsContact O-CE 3.29Å; D502-K506 WeakPolarHBondContact O-CE 3.43Å; D502-K506 VanDerWaalsContact O-CG 3.25Å; D502-K506 WeakPolarHBondContact O-CG 3.33Å; V503-K506 PolarHBondContact O-N 3.23Å; I504-K506 PolarHBondContact O-N 3.36Å; K506-R526 WeakPolarHBondContact CE-O 3.44Å; K506-R526 PolarHBondContact NZ-O 3.27Å; K506-R526 VanDerWaalsContact NZ-O 3.11Å; K506-N529 HydrophobicContact CB-CB 4.04Å
507	P	92.4	Very high	89.4	Confident	77 Å²	77	77.9 Å²	77.9	50%	0.5	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-63	139.7	169.4	27.3	-34.2	0	0	0	110.4	F528 N529	P507-F528 HydrophobicContact CB-CD1 4.36Å; P507-F528 HydrophobicContact CG-CD1 3.9Å; P507-F528 HydrophobicContact CG-CE1 4.08Å; P507-F528 CarbonylContact O-C 3.33Å; P507-F528 VanDerWaalsContact O-CA 3.31Å; P507-F528 WeakPolarHBondContact O-CA 3.45Å; P507-N529 PolarHBondContact O-N 2.87Å
508	N	92.8	Very high	89.4	Confident	91 Å²	91	71.6 Å²	71.6	49%	0.487	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-61.5	136.9	173.6	-73.5	-14.3	0	0	0	110.7	N529 C532	N508-N529 PolarHBondContact OD1-ND2 3.29Å; N508-C532 HydrophobicContact CB-CB 4.31Å
509	C	93	Very high	89.4	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.02	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-66.3	133.7	168.2	-174.6	0	0	0	0	109.3	Y511 G512 H524 F528 N529 H530	C509-Y511 PolarHBondContact O-N 3.12Å; C509-G512 WeakPolarHBondContact O-CA 3.39Å; C509-G512 PolarHBondContact O-N 2.87Å; C509-H524 PolarHBondContact SG-NE2 3.29Å; C509-H524 VanDerWaalsContact SG-NE2 3.38Å; C509-F528 HydrophobicContact CB-CB 4.01Å; C509-N529 WeakPolarHBondContact CB-O 3.36Å; C509-N529 PolarHBondContact N-O 3.43Å; C509-H530 VanDerWaalsContact CB-CD2 3.44Å; C509-H530 WeakPolarHBondContact CB-CD2 3.27Å; C509-H530 WeakPolarHBondContact CB-NE2 3.04Å; C509-H530 PolarHBondContact SG-NE2 3.32Å
510	Y	89.5	Confident	89.1	Confident	98 Å²	98	76.6 Å²	76.6	38%	0.384	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-44.5	175.8	174.3	-101.5	0	0	0	112.3	G512 R534 S535 I536	Y510-G512 VanDerWaalsContact C-N 3.28Å; Y510-G512 PolarHBondContact O-N 2.91Å; Y510-R534 WeakPolarHBondContact O-CA 3.47Å; Y510-R534 WeakPolarHBondContact O-CG 3.14Å; Y510-R534 PolarHBondContact OH-NH2 3.18Å; Y510-S535 WeakPolarHBondContact CE2-O 3.02Å; Y510-S535 PolarHBondContact O-N 3.35Å; Y510-S535 PolarHBondContact OH-O 3.42Å; Y510-I536 PolarHBondContact OH-OXT 3.27Å
511	Y	89	Confident	88.9	Confident	126 Å²	126	73.9 Å²	73.9	49%	0.494	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.8	177.5	-57.6	-71.5	0	0	0	114.3	C509 R513 Y514 C515	C509-Y511 PolarHBondContact O-N 3.12Å; Y511-R513 PolarHBondContact O-N 2.77Å; Y511-Y514 WeakPolarHBondContact O-CA 3.23Å; Y511-Y514 WeakPolarHBondContact O-CB 3.18Å; Y511-Y514 PolarHBondContact O-N 2.7Å; Y511-C515 PolarHBondContact O-N 2.85Å
512	G	91.1	Very high	88.9	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	45.9	-133.3	-177	0	0	0	0	0	113.4	C509 Y510 Y514 C515 C532	C509-G512 WeakPolarHBondContact O-CA 3.39Å; C509-G512 PolarHBondContact O-N 2.87Å; Y510-G512 VanDerWaalsContact C-N 3.28Å; Y510-G512 PolarHBondContact O-N 2.91Å; G512-Y514 PolarHBondContact O-N 3.09Å; G512-C515 VanDerWaalsContact O-CB 3.31Å; G512-C515 WeakPolarHBondContact O-CB 3.23Å; G512-C515 PolarHBondContact O-N 3.32Å; G512-C532 CarbonylContact C-O 3.44Å; G512-C532 VanDerWaalsContact CA-O 3.31Å; G512-C532 WeakPolarHBondContact CA-O 3.5Å; G512-C532 WeakPolarHBondContact CA-SG 3.33Å
513	R	90.2	Very high	89	Confident	59 Å²	59	70.9 Å²	70.9	22%	0.223	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-55.3	-21.7	177.2	70.8	-173.1	-66.1	-177.3	-3.6	115.2	L425 Y488 Y511 H530 C532 E533	L425-R513 HydrophobicContact CD1-CB 3.82Å; L425-R513 HydrophobicContact CD2-CB 4.33Å; Y488-R513 HydrophobicContact CE2-CB 3.84Å; Y511-R513 PolarHBondContact O-N 2.77Å; R513-H530 PolarHBondContact N-O 3.3Å; R513-C532 PolarHBondContact N-O 3.49Å; R513-E533 VanDerWaalsContact CD-CD 3.43Å; R513-E533 WeakPolarHBondContact CD-OE1 3.38Å; R513-E533 WeakPolarHBondContact CD-OE2 3.46Å; R513-E533 IonicContact CZ-OE1 3.9Å; R513-E533 IonicContact NE-OE1 3.26Å; R513-E533 IonicContact NH1-OE1 2.72Å; R513-E533 PolarHBondContact NH1-OE1 2.83Å
514	Y	89.3	Confident	89.1	Confident	150 Å²	150	71.8 Å²	71.8	59%	0.588	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-91.4	1.6	-179.2	-58.3	-78.5	0	0	0	113.3	Y511 G512 R516 R534	Y511-Y514 WeakPolarHBondContact O-CA 3.23Å; Y511-Y514 WeakPolarHBondContact O-CB 3.18Å; Y511-Y514 PolarHBondContact O-N 2.7Å; G512-Y514 PolarHBondContact O-N 3.09Å; Y514-R516 PolarHBondContact O-N 2.77Å; Y514-R516 VanDerWaalsContact O-N 3.09Å; Y514-R534 HydrophobicContact CD2-CB 4.33Å
515	C	90.4	Very high	89.1	Confident	7 Å²	7	68.5 Å²	68.5	5%	0.047	31%	0.306	C	S	.	.			trans	-61	113.5	178	-173.2	0	0	0	0	111.4	Y511 G512 Y517 Q518 H524	Y511-C515 PolarHBondContact O-N 2.85Å; G512-C515 VanDerWaalsContact O-CB 3.31Å; G512-C515 WeakPolarHBondContact O-CB 3.23Å; G512-C515 PolarHBondContact O-N 3.32Å; C515-Y517 VanDerWaalsContact C-N 3.35Å; C515-Q518 HydrophobicContact CB-CB 4.4Å; C515-Q518 VanDerWaalsContact O-CG 3.29Å; C515-Q518 WeakPolarHBondContact O-CG 3.38Å; C515-Q518 PolarHBondContact O-NE2 3.35Å; C515-H524 PolarHBondContact SG-NE2 3.31Å
516	R	88.5	Confident	89.2	Confident	188 Å²	188	68.7 Å²	68.7	71%	0.709	30%	0.297	S	S	*	.	S	Bend	trans	-68.3	-35.8	172.6	-65	-174.7	-179.3	-173.2	1.4	111.7	D67 Y514 Q518 S519	D67-R516 IonicContact OD2-NH1 2.72Å; Y514-R516 PolarHBondContact O-N 2.77Å; Y514-R516 VanDerWaalsContact O-N 3.09Å; R516-Q518 VanDerWaalsContact C-N 3.27Å; R516-Q518 PolarHBondContact O-N 3.38Å; R516-S519 PolarHBondContact O-N 2.61Å; R516-S519 PolarHBondContact O-OG 2.86Å
517	Y	84.9	Confident	89.2	Confident	66 Å²	66	72.8 Å²	72.8	26%	0.259	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.7	-28.5	-173.9	-155.8	-126.8	0	0	0	113.5	C515 S519 Y520 N521 H524	C515-Y517 VanDerWaalsContact C-N 3.35Å; Y517-S519 PolarHBondContact O-N 2.91Å; Y517-S519 VanDerWaalsContact O-N 3.15Å; Y517-Y520 HydrophobicContact CD2-CD2 4.22Å; Y517-Y520 AromaticContact CD2-CE2 3.34Å; Y517-Y520 HydrophobicContact CD2-CE2 3.34Å; Y517-Y520 AromaticContact CD2-CZ 3.55Å; Y517-Y520 WeakPolarHBondContact CD2-OH 3.42Å; Y517-Y520 HydrophobicContact CE2-CD2 4.37Å; Y517-Y520 AromaticContact CE2-CE2 3.55Å; Y517-Y520 HydrophobicContact CE2-CE2 3.55Å; Y517-Y520 HydrophobicContact CG-CE2 4.43Å; Y517-Y520 PolarHBondContact O-N 3.18Å; Y517-N521 HydrophobicContact CD1-CB 3.88Å; Y517-N521 HydrophobicContact CD2-CB 4.28Å; Y517-N521 HydrophobicContact CE1-CB 3.68Å; Y517-N521 WeakPolarHBondContact CE1-ND2 3.44Å; Y517-N521 HydrophobicContact CE2-CB 4.08Å; Y517-N521 HydrophobicContact CG-CB 4.16Å; Y517-N521 PolarHBondContact O-N 3.26Å; Y517-N521 PolarHBondContact OH-ND2 2.71Å; Y517-H524 HydrophobicContact CD1-CB 3.58Å; Y517-H524 AromaticContact CD1-CG 3.5Å; Y517-H524 VanDerWaalsContact CD1-CG 3.5Å; Y517-H524 AromaticContact CD1-ND1 3.68Å; Y517-H524 HydrophobicContact CE1-CB 3.92Å
518	Q	88.2	Confident	89.2	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.028	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23.4	178.1	84.2	-173.1	-72	0	0	114.1	N427 C515 R516 H530	N427-Q518 HydrophobicContact CB-CG 4.06Å; N427-Q518 PolarHBondContact ND2-OE1 2.79Å; C515-Q518 HydrophobicContact CB-CB 4.4Å; C515-Q518 VanDerWaalsContact O-CG 3.29Å; C515-Q518 WeakPolarHBondContact O-CG 3.38Å; C515-Q518 PolarHBondContact O-NE2 3.35Å; R516-Q518 VanDerWaalsContact C-N 3.27Å; R516-Q518 PolarHBondContact O-N 3.38Å; Q518-H530 VanDerWaalsContact OE1-CG 3.23Å
519	S	87.1	Confident	89.2	Confident	55 Å²	55	68.6 Å²	68.6	39%	0.385	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-81.5	-25.8	-174	65.2	0	0	0	0	113.8	R516 Y517	R516-S519 PolarHBondContact O-N 2.61Å; R516-S519 PolarHBondContact O-OG 2.86Å; Y517-S519 PolarHBondContact O-N 2.91Å; Y517-S519 VanDerWaalsContact O-N 3.15Å
520	Y	84	Confident	89.2	Confident	147 Å²	147	68.5 Å²	68.5	58%	0.576	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-26.2	-178.3	56.5	-96.1	0	0	0	114.3	Y517	Y517-Y520 HydrophobicContact CD2-CD2 4.22Å; Y517-Y520 AromaticContact CD2-CE2 3.34Å; Y517-Y520 HydrophobicContact CD2-CE2 3.34Å; Y517-Y520 AromaticContact CD2-CZ 3.55Å; Y517-Y520 WeakPolarHBondContact CD2-OH 3.42Å; Y517-Y520 HydrophobicContact CE2-CD2 4.37Å; Y517-Y520 AromaticContact CE2-CE2 3.55Å; Y517-Y520 HydrophobicContact CE2-CE2 3.55Å; Y517-Y520 HydrophobicContact CG-CE2 4.43Å; Y517-Y520 PolarHBondContact O-N 3.18Å
521	N	85.3	Confident	89.3	Confident	15 Å²	15	64.5 Å²	64.5	8%	0.08	27%	0.267	C	S	.	.			trans	-94.6	102	172	-171.4	-36.8	0	0	0	111.3	Y517 N523 H524 A525	Y517-N521 HydrophobicContact CD1-CB 3.88Å; Y517-N521 HydrophobicContact CD2-CB 4.28Å; Y517-N521 HydrophobicContact CE1-CB 3.68Å; Y517-N521 WeakPolarHBondContact CE1-ND2 3.44Å; Y517-N521 HydrophobicContact CE2-CB 4.08Å; Y517-N521 HydrophobicContact CG-CB 4.16Å; Y517-N521 PolarHBondContact O-N 3.26Å; Y517-N521 PolarHBondContact OH-ND2 2.71Å; N521-N523 VanDerWaalsContact C-N 3.34Å; N521-N523 PolarHBondContact O-N 2.88Å; N521-N523 WeakPolarHBondContact OD1-CA 3.33Å; N521-N523 PolarHBondContact OD1-N 3.09Å; N521-H524 HydrophobicContact CB-CB 4Å; N521-H524 PolarHBondContact O-N 2.89Å; N521-H524 PolarHBondContact OD1-N 3.18Å; N521-A525 PolarHBondContact O-N 2.86Å; N521-A525 VanDerWaalsContact O-N 3.12Å
522	Y	87.4	Confident	89.4	Confident	128 Å²	128	59.1 Å²	59.1	50%	0.502	25%	0.248	S	C	.	.	H	α-helix	trans	-58.8	-39.2	176.7	178.6	-94.5	0	0	0	113.5	I429 A525 R526	I429-Y522 HydrophobicContact CD1-CD2 4.14Å; I429-Y522 HydrophobicContact CD1-CE2 3.44Å; I429-Y522 VanDerWaalsContact CD1-CE2 3.44Å; I429-Y522 HydrophobicContact CG1-CE2 4.27Å; Y522-A525 PolarHBondContact O-N 3.4Å; Y522-R526 WeakPolarHBondContact O-CB 3.46Å; Y522-R526 PolarHBondContact O-N 3.17Å
523	N	88.1	Confident	89.3	Confident	35 Å²	35	63.5 Å²	63.5	19%	0.187	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-33.2	-178.5	-79	-40.4	0	0	0	112.3	N164 N521 R526 R527	N164-N523 WeakPolarHBondContact OD1-CB 3.34Å; N164-N523 PolarHBondContact OD1-ND2 3.45Å; N521-N523 VanDerWaalsContact C-N 3.34Å; N521-N523 PolarHBondContact O-N 2.88Å; N521-N523 WeakPolarHBondContact OD1-CA 3.33Å; N521-N523 PolarHBondContact OD1-N 3.09Å; N523-R526 PolarHBondContact O-N 3.08Å; N523-R526 PolarHBondContact OD1-NH2 3.35Å; N523-R527 WeakPolarHBondContact O-CB 3.35Å; N523-R527 VanDerWaalsContact O-CG 3.29Å; N523-R527 WeakPolarHBondContact O-CG 3.25Å; N523-R527 PolarHBondContact O-N 2.89Å
524	H	90.1	Very high	89.2	Confident	28 Å²	28	67.3 Å²	67.3	13%	0.13	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-49.5	170.2	-177.6	87.3	0	0	0	111.3	C509 C515 Y517 N521 R526 R527 F528 H530	C509-H524 PolarHBondContact SG-NE2 3.29Å; C509-H524 VanDerWaalsContact SG-NE2 3.38Å; C515-H524 PolarHBondContact SG-NE2 3.31Å; Y517-H524 HydrophobicContact CD1-CB 3.58Å; Y517-H524 AromaticContact CD1-CG 3.5Å; Y517-H524 VanDerWaalsContact CD1-CG 3.5Å; Y517-H524 AromaticContact CD1-ND1 3.68Å; Y517-H524 HydrophobicContact CE1-CB 3.92Å; N521-H524 HydrophobicContact CB-CB 4Å; N521-H524 PolarHBondContact O-N 2.89Å; N521-H524 PolarHBondContact OD1-N 3.18Å; H524-R526 PolarHBondContact O-N 3.46Å; H524-R527 PolarHBondContact O-N 2.95Å; H524-F528 AromaticContact CE1-CD2 3.54Å; H524-F528 AromaticContact CE1-CE2 3.93Å; H524-F528 AromaticContact ND1-CD2 3.43Å; H524-F528 WeakPolarHBondContact ND1-CD2 3.32Å; H524-F528 AromaticContact ND1-CE2 3.65Å; H524-F528 PolarHBondContact O-N 3.06Å; H524-F528 VanDerWaalsContact O-N 3.09Å; H524-H530 AromaticContact CD2-CE1 3.44Å; H524-H530 PolarHBondContact CD2-CE1 3.18Å; H524-H530 VanDerWaalsContact CD2-CE1 3.44Å; H524-H530 AromaticContact CD2-NE2 3.31Å; H524-H530 PolarHBondContact CD2-NE2 3.4Å; H524-H530 VanDerWaalsContact CD2-NE2 3.31Å; H524-H530 AromaticContact NE2-CE1 3.59Å; H524-H530 AromaticContact NE2-NE2 3.01Å; H524-H530 PolarHBondContact NE2-NE2 2.81Å
525	A	90.3	Very high	88.8	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-27.3	175	0	0	0	0	0	113.5	I429 N521 Y522	I429-A525 HydrophobicContact CB-CB 4.35Å; I429-A525 HydrophobicContact CG1-CB 3.92Å; I429-A525 WeakPolarHBondContact CG2-O 3.37Å; N521-A525 PolarHBondContact O-N 2.86Å; N521-A525 VanDerWaalsContact O-N 3.12Å; Y522-A525 PolarHBondContact O-N 3.4Å
526	R	91.4	Very high	87.4	Confident	134 Å²	134	72.5 Å²	72.5	51%	0.506	32%	0.322	S	S	.	.	H	α-helix	trans	-77.3	-42.7	175.4	-172.7	173.3	62.2	164	-3.2	112.5	I429 K506 Y522 N523 H524	I429-R526 HydrophobicContact CD1-CB 4.42Å; I429-R526 HydrophobicContact CG1-CB 4.38Å; K506-R526 WeakPolarHBondContact CE-O 3.44Å; K506-R526 PolarHBondContact NZ-O 3.27Å; K506-R526 VanDerWaalsContact NZ-O 3.11Å; Y522-R526 WeakPolarHBondContact O-CB 3.46Å; Y522-R526 PolarHBondContact O-N 3.17Å; N523-R526 PolarHBondContact O-N 3.08Å; N523-R526 PolarHBondContact OD1-NH2 3.35Å; H524-R526 PolarHBondContact O-N 3.46Å
527	R	91.1	Very high	87.3	Confident	113 Å²	113	66.7 Å²	66.7	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-79.9	-33.9	-172.2	-73.4	174.7	72.7	-175.8	5	114.4	N523 H524	N523-R527 WeakPolarHBondContact O-CB 3.35Å; N523-R527 VanDerWaalsContact O-CG 3.29Å; N523-R527 WeakPolarHBondContact O-CG 3.25Å; N523-R527 PolarHBondContact O-N 2.89Å; H524-R527 PolarHBondContact O-N 2.95Å
528	F	92	Very high	87.4	Confident	59 Å²	59	66.7 Å²	66.7	26%	0.259	31%	0.305	S	S	.	.	S	Bend	trans	-109	151.2	-175.7	-63.6	-84.6	0	0	0	111.5	P507 C509 H524	P507-F528 HydrophobicContact CB-CD1 4.36Å; P507-F528 HydrophobicContact CG-CD1 3.9Å; P507-F528 HydrophobicContact CG-CE1 4.08Å; P507-F528 CarbonylContact O-C 3.33Å; P507-F528 VanDerWaalsContact O-CA 3.31Å; P507-F528 WeakPolarHBondContact O-CA 3.45Å; C509-F528 HydrophobicContact CB-CB 4.01Å; H524-F528 AromaticContact CE1-CD2 3.54Å; H524-F528 AromaticContact CE1-CE2 3.93Å; H524-F528 AromaticContact ND1-CD2 3.43Å; H524-F528 WeakPolarHBondContact ND1-CD2 3.32Å; H524-F528 AromaticContact ND1-CE2 3.65Å; H524-F528 PolarHBondContact O-N 3.06Å; H524-F528 VanDerWaalsContact O-N 3.09Å
529	N	92.5	Very high	87.4	Confident	22 Å²	22	70.1 Å²	70.1	12%	0.118	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-80	130.9	165.6	173.4	36.2	0	0	0	109.3	E430 K506 P507 N508 C509 I531	E430-N529 PolarHBondContact OE1-OD1 2.99Å; K506-N529 HydrophobicContact CB-CB 4.04Å; P507-N529 PolarHBondContact O-N 2.87Å; N508-N529 PolarHBondContact OD1-ND2 3.29Å; C509-N529 WeakPolarHBondContact CB-O 3.36Å; C509-N529 PolarHBondContact N-O 3.43Å; N529-I531 PolarHBondContact ND2-O 3.02Å; N529-I531 WeakPolarHBondContact OD1-CA 3.47Å; N529-I531 WeakPolarHBondContact OD1-CB 3.37Å; N529-I531 PolarHBondContact OD1-N 3.17Å
530	H	92.6	Very high	87.4	Confident	0 Å²	0	71 Å²	71	0%	0	32%	0.316	C	S	.	.			trans	-109.2	-3.3	173.1	-63.6	95.7	0	0	0	113.2	N427 E430 C509 R513 Q518 H524 C532	N427-H530 PolarHBondContact ND2-ND1 2.88Å; N427-H530 VanDerWaalsContact ND2-ND1 3.16Å; E430-H530 HydrophobicContact CG-CB 4.4Å; E430-H530 PolarHBondContact OE1-N 3.01Å; C509-H530 VanDerWaalsContact CB-CD2 3.44Å; C509-H530 WeakPolarHBondContact CB-CD2 3.27Å; C509-H530 WeakPolarHBondContact CB-NE2 3.04Å; C509-H530 PolarHBondContact SG-NE2 3.32Å; R513-H530 PolarHBondContact N-O 3.3Å; Q518-H530 VanDerWaalsContact OE1-CG 3.23Å; H524-H530 AromaticContact CD2-CE1 3.44Å; H524-H530 PolarHBondContact CD2-CE1 3.18Å; H524-H530 VanDerWaalsContact CD2-CE1 3.44Å; H524-H530 AromaticContact CD2-NE2 3.31Å; H524-H530 PolarHBondContact CD2-NE2 3.4Å; H524-H530 VanDerWaalsContact CD2-NE2 3.31Å; H524-H530 AromaticContact NE2-CE1 3.59Å; H524-H530 AromaticContact NE2-NE2 3.01Å; H524-H530 PolarHBondContact NE2-NE2 2.81Å; H530-C532 PolarHBondContact O-N 2.9Å
531	I	92.2	Very high	87.6	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.072	30%	0.3	C	S	.	.	S	Bend	trans	-82.2	65.9	167	-47.2	-56.1	0	0	0	108.7	E430 Y488 R491 L492 N529	E430-I531 HydrophobicContact CB-CD1 4.29Å; E430-I531 HydrophobicContact CG-CD1 4.25Å; E430-I531 HydrophobicContact CG-CG1 4.35Å; Y488-I531 HydrophobicContact CD2-CD1 3.99Å; Y488-I531 HydrophobicContact CE2-CD1 4.11Å; Y488-I531 HydrophobicContact CE2-CG2 4.42Å; R491-I531 HydrophobicContact CG-CD1 3.8Å; R491-I531 HydrophobicContact CG-CG1 3.8Å; R491-I531 HydrophobicContact CG-CG2 4Å; L492-I531 HydrophobicContact CD2-CG2 3.71Å; L492-I531 HydrophobicContact CG-CG2 4.19Å; N529-I531 PolarHBondContact ND2-O 3.02Å; N529-I531 WeakPolarHBondContact OD1-CA 3.47Å; N529-I531 WeakPolarHBondContact OD1-CB 3.37Å; N529-I531 PolarHBondContact OD1-N 3.17Å
532	C	90.7	Very high	87.8	Confident	13 Å²	13	69.7 Å²	69.7	9%	0.088	32%	0.315	C	S	.	.	S	Bend	trans	-156.7	157.1	173.2	66.8	0	0	0	0	109.9	N508 G512 R513 H530	N508-C532 HydrophobicContact CB-CB 4.31Å; G512-C532 CarbonylContact C-O 3.44Å; G512-C532 VanDerWaalsContact CA-O 3.31Å; G512-C532 WeakPolarHBondContact CA-O 3.5Å; G512-C532 WeakPolarHBondContact CA-SG 3.33Å; R513-C532 PolarHBondContact N-O 3.49Å; H530-C532 PolarHBondContact O-N 2.9Å
533	E	89.6	Confident	87.8	Confident	92 Å²	92	65.5 Å²	65.5	43%	0.43	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-73.3	165.1	168.6	-68.4	-56.4	148.3	0	0	111.3	Y488 R513 S535	Y488-E533 PolarHBondContact OH-OE1 3.34Å; R513-E533 VanDerWaalsContact CD-CD 3.43Å; R513-E533 WeakPolarHBondContact CD-OE1 3.38Å; R513-E533 WeakPolarHBondContact CD-OE2 3.46Å; R513-E533 IonicContact CZ-OE1 3.9Å; R513-E533 IonicContact NE-OE1 3.26Å; R513-E533 IonicContact NH1-OE1 2.72Å; R513-E533 PolarHBondContact NH1-OE1 2.83Å; E533-S535 PolarHBondContact O-N 2.95Å
534	R	88	Confident	87.8	Confident	140 Å²	140	67.8 Å²	67.8	53%	0.528	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-62.6	127.5	175.5	175.1	173.1	178.8	178.9	-2	109.2	Y510 Y514	Y510-R534 WeakPolarHBondContact O-CA 3.47Å; Y510-R534 WeakPolarHBondContact O-CG 3.14Å; Y510-R534 PolarHBondContact OH-NH2 3.18Å; Y514-R534 HydrophobicContact CD2-CB 4.33Å
535	S	79.8	Confident	87.6	Confident	52 Å²	52	71.2 Å²	71.2	36%	0.364	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-70.9	136.1	170	-57.4	0	0	0	0	108.7	Y510 E533	Y510-S535 WeakPolarHBondContact CE2-O 3.02Å; Y510-S535 PolarHBondContact O-N 3.35Å; Y510-S535 PolarHBondContact OH-O 3.42Å; E533-S535 PolarHBondContact O-N 2.95Å
536	I	61.2	Low	87.4	Confident	213 Å²	213	77.5 Å²	77.5	100%	1.092	35%	0.353	S	S	*	.			trans	-72.2	0	178	-64	176.1	0	0	0	108.4	Y510	Y510-I536 PolarHBondContact OH-OXT 3.27Å

Retrieved 536 of 536 residues in 306.3 ms (Link to these results)

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