A0A077ZB10_TRITR Loading...

Ubiquitin-like-conjugating enzyme ATG3

AlphaFold DB , UniProt , Accession A0A077ZB10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 342 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	53.1	Low	67.6	Low	199 Å²	199	110.5 Å²	110.5	98%	0.98	57%	0.572	S	S	*	*				0	-35.4	0	-81.4	-174.6	-85	0	0	112.2	S3 L4 V5	M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.04Å; M1-L4 PolarHBondContact O-N 3.37Å; M1-V5 PolarHBondContact O-N 3.26Å
2	E	61.4	Low	68.2	Low	158 Å²	158	105.3 Å²	105.3	74%	0.738	56%	0.557	S	S	*	*	H	α-helix	trans	-50.6	-40	177.7	-65.3	171.6	-178.3	0	0	114.5	L4 V5 N6	E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.28Å; E2-V5 PolarHBondContact O-N 3.28Å; E2-N6 WeakPolarHBondContact O-CB 3.1Å; E2-N6 VanDerWaalsContact O-CG 3.23Å; E2-N6 PolarHBondContact O-N 3.3Å; E2-N6 PolarHBondContact O-ND2 3.32Å
3	S	66.5	Low	68.5	Low	80 Å²	80	102.8 Å²	102.8	56%	0.559	54%	0.544	S	S	*	.	H	α-helix	trans	-65.1	-32.5	178.8	62.8	0	0	0	0	114	M1 K7	M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 3.04Å; S3-K7 WeakPolarHBondContact O-CB 3.44Å; S3-K7 VanDerWaalsContact O-CG 3.28Å; S3-K7 WeakPolarHBondContact O-CG 3.23Å; S3-K7 PolarHBondContact O-N 3.3Å; S3-K7 VanDerWaalsContact O-N 3.16Å
4	L	69	Low	68.8	Low	110 Å²	110	104.4 Å²	104.4	58%	0.576	55%	0.546	S	S	*	.	H	α-helix	trans	-76	-41.5	176.5	-68.9	175.2	0	0	0	110.8	M1 E2 N6 K7 L8	M1-L4 PolarHBondContact O-N 3.37Å; E2-L4 VanDerWaalsContact C-N 3.33Å; E2-L4 PolarHBondContact O-N 3.28Å; L4-N6 VanDerWaalsContact C-N 3.35Å; L4-K7 PolarHBondContact O-N 3.34Å; L4-L8 WeakPolarHBondContact O-CG 3.43Å; L4-L8 PolarHBondContact O-N 3.23Å
5	V	70.3	Confident	69.3	Low	67 Å²	67	104.5 Å²	104.5	41%	0.406	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.3	176.6	0	0	0	0	110.4	M1 E2 K7 L8 K9	M1-V5 PolarHBondContact O-N 3.26Å; E2-V5 PolarHBondContact O-N 3.28Å; V5-K7 PolarHBondContact O-N 3.5Å; V5-L8 PolarHBondContact O-N 3.28Å; V5-K9 HydrophobicContact CG1-CD 4.13Å; V5-K9 HydrophobicContact CG1-CG 4.42Å; V5-K9 WeakPolarHBondContact O-CB 3.21Å; V5-K9 VanDerWaalsContact O-CG 3.32Å; V5-K9 WeakPolarHBondContact O-CG 3.37Å; V5-K9 PolarHBondContact O-N 2.82Å
6	N	65.7	Low	69.8	Low	87 Å²	87	99.1 Å²	99.1	47%	0.465	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-38.4	178	-69.7	-12.1	0	0	0	112.1	E2 L4 N10	E2-N6 WeakPolarHBondContact O-CB 3.1Å; E2-N6 VanDerWaalsContact O-CG 3.23Å; E2-N6 PolarHBondContact O-N 3.3Å; E2-N6 PolarHBondContact O-ND2 3.32Å; L4-N6 VanDerWaalsContact C-N 3.35Å; N6-N10 WeakPolarHBondContact O-CB 3.47Å; N6-N10 PolarHBondContact O-N 2.87Å; N6-N10 PolarHBondContact O-ND2 3.1Å; N6-N10 PolarHBondContact O-OD1 2.91Å
7	K	68.9	Low	70.2	Confident	142 Å²	142	95.9 Å²	95.9	62%	0.617	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-47	173.1	-79.3	179.3	179.3	-172.4	0	112	S3 L4 V5 N10 S11	S3-K7 WeakPolarHBondContact O-CB 3.44Å; S3-K7 VanDerWaalsContact O-CG 3.28Å; S3-K7 WeakPolarHBondContact O-CG 3.23Å; S3-K7 PolarHBondContact O-N 3.3Å; S3-K7 VanDerWaalsContact O-N 3.16Å; L4-K7 PolarHBondContact O-N 3.34Å; V5-K7 PolarHBondContact O-N 3.5Å; K7-N10 PolarHBondContact O-N 3.48Å; K7-S11 PolarHBondContact O-N 3.29Å; K7-S11 PolarHBondContact O-OG 2.94Å; K7-S11 VanDerWaalsContact O-OG 3.14Å
8	L	74.8	Confident	70.5	Confident	127 Å²	127	101.4 Å²	101.4	67%	0.665	52%	0.518	S	S	*	.	H	α-helix	trans	-62.8	-43.4	178.2	-75.3	169.6	0	0	0	111.9	L4 V5 S11 A12	L4-L8 WeakPolarHBondContact O-CG 3.43Å; L4-L8 PolarHBondContact O-N 3.23Å; V5-L8 PolarHBondContact O-N 3.28Å; L8-S11 PolarHBondContact O-N 3.27Å; L8-A12 WeakPolarHBondContact O-CB 3.33Å; L8-A12 PolarHBondContact O-N 3.36Å
9	K	70.3	Confident	71.1	Confident	125 Å²	125	102.7 Å²	102.7	54%	0.543	53%	0.526	S	S	.	.	H	α-helix	trans	-58.5	-48.3	174.8	-75.9	179.8	176.4	-174.7	0	111.3	V5 S11 A12 L13	V5-K9 HydrophobicContact CG1-CD 4.13Å; V5-K9 HydrophobicContact CG1-CG 4.42Å; V5-K9 WeakPolarHBondContact O-CB 3.21Å; V5-K9 VanDerWaalsContact O-CG 3.32Å; V5-K9 WeakPolarHBondContact O-CG 3.37Å; V5-K9 PolarHBondContact O-N 2.82Å; K9-S11 PolarHBondContact O-N 3.1Å; K9-A12 PolarHBondContact O-N 3.03Å; K9-L13 WeakPolarHBondContact O-CB 3.43Å; K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.42Å; K9-L13 PolarHBondContact O-N 3.27Å
10	N	69.5	Low	71.6	Confident	62 Å²	62	98.8 Å²	98.8	33%	0.332	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-44.2	178.6	-68.3	-10.3	0	0	0	111.6	N6 K7 A12 L13 E14	N6-N10 WeakPolarHBondContact O-CB 3.47Å; N6-N10 PolarHBondContact O-N 2.87Å; N6-N10 PolarHBondContact O-ND2 3.1Å; N6-N10 PolarHBondContact O-OD1 2.91Å; K7-N10 PolarHBondContact O-N 3.48Å; N10-A12 PolarHBondContact O-N 3.25Å; N10-L13 PolarHBondContact O-N 2.88Å; N10-E14 WeakPolarHBondContact O-CG 3.06Å; N10-E14 PolarHBondContact O-N 2.75Å
11	S	73.6	Confident	72.4	Confident	59 Å²	59	98.8 Å²	98.8	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-64.7	-39.5	177.2	-63.3	0	0	0	0	112.9	K7 L8 K9 E14 I15	K7-S11 PolarHBondContact O-N 3.29Å; K7-S11 PolarHBondContact O-OG 2.94Å; K7-S11 VanDerWaalsContact O-OG 3.14Å; L8-S11 PolarHBondContact O-N 3.27Å; K9-S11 PolarHBondContact O-N 3.1Å; S11-E14 PolarHBondContact O-N 3.35Å; S11-I15 WeakPolarHBondContact O-CD1 3.42Å; S11-I15 VanDerWaalsContact O-CG1 3.28Å; S11-I15 WeakPolarHBondContact O-CG1 3.47Å; S11-I15 PolarHBondContact O-N 3.42Å; S11-I15 VanDerWaalsContact O-N 3.1Å
12	A	74.8	Confident	74.1	Confident	47 Å²	47	91.7 Å²	91.7	39%	0.388	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-41.5	176.1	0	0	0	0	0	111.5	L8 K9 N10 I15 A16	L8-A12 WeakPolarHBondContact O-CB 3.33Å; L8-A12 PolarHBondContact O-N 3.36Å; K9-A12 PolarHBondContact O-N 3.03Å; N10-A12 PolarHBondContact O-N 3.25Å; A12-I15 PolarHBondContact O-N 2.83Å; A12-A16 WeakPolarHBondContact O-CB 3.33Å; A12-A16 PolarHBondContact O-N 2.88Å
13	L	72	Confident	75.5	Confident	73 Å²	73	85 Å²	85	38%	0.382	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-40.7	176	-72.7	168.7	0	0	0	112.1	K9 N10 I15 A16 E17	K9-L13 WeakPolarHBondContact O-CB 3.43Å; K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.42Å; K9-L13 PolarHBondContact O-N 3.27Å; N10-L13 PolarHBondContact O-N 2.88Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 2.93Å; L13-A16 PolarHBondContact O-N 3.32Å; L13-E17 WeakPolarHBondContact O-CB 3.28Å; L13-E17 PolarHBondContact O-N 2.54Å
14	E	72.9	Confident	76.6	Confident	125 Å²	125	89.9 Å²	89.9	58%	0.584	46%	0.462	S	S	*	.	H	α-helix	trans	-62.2	-41.3	175.4	-75.9	174.7	179.8	0	0	112.1	N10 S11 Y18	N10-E14 WeakPolarHBondContact O-CG 3.06Å; N10-E14 PolarHBondContact O-N 2.75Å; S11-E14 PolarHBondContact O-N 3.35Å; E14-Y18 WeakPolarHBondContact O-CB 3.31Å; E14-Y18 PolarHBondContact O-N 2.65Å
15	I	75.9	Confident	77.7	Confident	106 Å²	106	91.5 Å²	91.5	54%	0.544	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-44.3	176	-65.9	163.8	0	0	0	110.4	S11 A12 L13 Y18 L19	S11-I15 WeakPolarHBondContact O-CD1 3.42Å; S11-I15 VanDerWaalsContact O-CG1 3.28Å; S11-I15 WeakPolarHBondContact O-CG1 3.47Å; S11-I15 PolarHBondContact O-N 3.42Å; S11-I15 VanDerWaalsContact O-N 3.1Å; A12-I15 PolarHBondContact O-N 2.83Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 2.93Å; I15-Y18 PolarHBondContact O-N 2.96Å; I15-L19 HydrophobicContact CG2-CD1 3.78Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CB 3.36Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.03Å
16	A	77.6	Confident	78.8	Confident	19 Å²	19	91.7 Å²	91.7	16%	0.157	47%	0.471	C	S	.	.	H	α-helix	trans	-61	-47.4	176.8	0	0	0	0	0	110.9	A12 L13 Y18 L19 S20 Y235	A12-A16 WeakPolarHBondContact O-CB 3.33Å; A12-A16 PolarHBondContact O-N 2.88Å; L13-A16 PolarHBondContact O-N 3.32Å; A16-Y18 VanDerWaalsContact C-N 3.3Å; A16-Y18 PolarHBondContact O-N 3.36Å; A16-L19 PolarHBondContact O-N 3.19Å; A16-S20 PolarHBondContact O-N 2.73Å; A16-S20 PolarHBondContact O-OG 3.22Å; A16-Y235 HydrophobicContact CB-CD2 3.94Å; A16-Y235 HydrophobicContact CB-CE2 4.05Å
17	E	77	Confident	80.1	Confident	45 Å²	45	92.3 Å²	92.3	21%	0.21	47%	0.467	C	S	.	.	H	α-helix	trans	-58.4	-42.9	175.9	-166.3	-163.9	156.4	0	0	110.9	L13 K64 K234	L13-E17 WeakPolarHBondContact O-CB 3.28Å; L13-E17 PolarHBondContact O-N 2.54Å; E17-K64 IonicContact OE1-NZ 2.65Å; E17-K64 PolarHBondContact OE1-NZ 3.45Å; E17-K64 IonicContact OE2-NZ 2.73Å; E17-K64 PolarHBondContact OE2-NZ 3.05Å; E17-K234 HydrophobicContact CG-CB 3.92Å; E17-K234 HydrophobicContact CG-CD 4.45Å; E17-K234 HydrophobicContact CG-CG 4.4Å; E17-K234 PolarHBondContact O-NZ 3.35Å
18	Y	76.3	Confident	81.2	Confident	195 Å²	195	85.7 Å²	85.7	77%	0.765	44%	0.438	S	S	*	.	H	α-helix	trans	-63	-43.5	178.4	-177.2	-98.3	0	0	0	112.2	E14 I15 A16 K234	E14-Y18 WeakPolarHBondContact O-CB 3.31Å; E14-Y18 PolarHBondContact O-N 2.65Å; I15-Y18 PolarHBondContact O-N 2.96Å; A16-Y18 VanDerWaalsContact C-N 3.3Å; A16-Y18 PolarHBondContact O-N 3.36Å; Y18-K234 PolarHBondContact O-NZ 3.27Å
19	L	80.3	Confident	82	Confident	126 Å²	126	86 Å²	86	66%	0.66	43%	0.431	S	S	*	.	H	α-helix	trans	-79.6	-26.6	-176.4	-67.1	175.7	0	0	0	114	I15 A16	I15-L19 HydrophobicContact CG2-CD1 3.78Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CB 3.36Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.19Å
20	S	82.4	Confident	83.1	Confident	23 Å²	23	87.1 Å²	87.1	16%	0.161	44%	0.438	C	S	.	.	S	Bend	trans	-60.2	131.1	178.6	-70.6	0	0	0	0	110.9	A16 K234 Y235	A16-S20 PolarHBondContact O-N 2.73Å; A16-S20 PolarHBondContact O-OG 3.22Å; S20-K234 WeakPolarHBondContact O-CE 3.33Å; S20-K234 PolarHBondContact O-NZ 3.3Å; S20-Y235 WeakPolarHBondContact OG-CD2 3.39Å
21	P	87.6	Confident	84.2	Confident	99 Å²	99	86.2 Å²	86.2	64%	0.643	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-65.5	146.1	175.3	26.9	-33.2	0	0	0	110.4	L23	P21-L23 PolarHBondContact O-N 3.32Å
22	V	89.8	Confident	85.2	Confident	51 Å²	51	83.4 Å²	83.4	31%	0.309	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-70.4	125.8	170.2	179.1	0	0	0	0	108.1	K24 P36 Y66 K234	V22-K24 PolarHBondContact O-N 2.6Å; V22-P36 HydrophobicContact CG1-CG 3.59Å; V22-Y66 HydrophobicContact CG2-CD1 4.18Å; V22-Y66 HydrophobicContact CG2-CG 4.11Å; V22-K234 HydrophobicContact CG2-CD 4.26Å; V22-K234 VanDerWaalsContact CG2-CE 3.42Å
23	L	90.9	Very high	86.2	Confident	18 Å²	18	81.9 Å²	81.9	9%	0.094	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-67.2	119.1	174.7	-169.2	71.7	0	0	0	109.8	P21 E25 R27 V33 T35 P36 Q237	P21-L23 PolarHBondContact O-N 3.32Å; L23-E25 WeakPolarHBondContact CG-O 3.24Å; L23-R27 HydrophobicContact CD1-CG 4.36Å; L23-R27 HydrophobicContact CD2-CB 4.5Å; L23-V33 HydrophobicContact CD2-CG2 3.68Å; L23-T35 HydrophobicContact CB-CG2 4.46Å; L23-T35 HydrophobicContact CD2-CG2 4.01Å; L23-T35 HydrophobicContact CG-CG2 4Å; L23-T35 WeakPolarHBondContact O-CB 3.44Å; L23-P36 WeakPolarHBondContact O-CD 3.46Å; L23-Q237 HydrophobicContact CB-CG 4.29Å
24	K	89.5	Confident	87.5	Confident	182 Å²	182	78.4 Å²	78.4	79%	0.791	38%	0.384	S	S	*	.			trans	-102.5	-28.3	-179	-65.2	-178.9	-178	175.8	0	113.2	V22	V22-K24 PolarHBondContact O-N 2.6Å
25	E	92.2	Very high	88.6	Confident	144 Å²	144	72.8 Å²	72.8	67%	0.673	36%	0.358	S	S	*	.	S	Bend	trans	-106.4	141.7	-176.7	-61.9	-172.9	170.3	0	0	110.5	L23 R27 T35	L23-E25 WeakPolarHBondContact CG-O 3.24Å; E25-R27 PolarHBondContact O-N 2.64Å; E25-T35 WeakPolarHBondContact O-CG2 3.44Å
26	S	93.6	Very high	89.7	Confident	71 Å²	71	68 Å²	68	50%	0.497	33%	0.334	S	S	.	.			trans	-62.3	123.1	-179.8	-172.7	0	0	0	0	110.4	E38	S26-E38 WeakPolarHBondContact CB-OE1 3.41Å; S26-E38 PolarHBondContact OG-OE1 2.84Å
27	R	92.4	Very high	90.6	Very high	99 Å²	99	72.8 Å²	72.8	37%	0.374	36%	0.357	S	S	.	.			trans	-122.3	19	169.7	-65.4	-171.4	-178.1	-175.1	-2	112.1	L23 E25 R29 E30 S31 V33	L23-R27 HydrophobicContact CD1-CG 4.36Å; L23-R27 HydrophobicContact CD2-CB 4.5Å; E25-R27 PolarHBondContact O-N 2.64Å; R27-R29 PolarHBondContact O-N 3.42Å; R27-E30 PolarHBondContact O-N 3.01Å; R27-S31 PolarHBondContact O-N 3.49Å; R27-S31 PolarHBondContact O-OG 2.93Å; R27-V33 CarbonylContact C-O 3.53Å; R27-V33 HydrophobicContact CB-CG2 3.61Å
28	F	92.3	Very high	91.6	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-54.6	-54	-178.6	166.4	-111.1	0	0	0	111.7	E30 G32 V33 I34 I302 F312 V314 Y317	F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.74Å; F28-G32 VanDerWaalsContact O-CA 3.26Å; F28-G32 WeakPolarHBondContact O-CA 3.23Å; F28-G32 PolarHBondContact O-N 3.37Å; F28-V33 WeakPolarHBondContact CA-O 3.1Å; F28-V33 PolarHBondContact N-O 3.25Å; F28-I34 HydrophobicContact CB-CG2 4.4Å; F28-I34 HydrophobicContact CD2-CG2 4.13Å; F28-I302 HydrophobicContact CD2-CD1 3.76Å; F28-I302 HydrophobicContact CE1-CD1 4.26Å; F28-I302 HydrophobicContact CE1-CG1 4.44Å; F28-I302 HydrophobicContact CE2-CD1 3.46Å; F28-I302 VanDerWaalsContact CE2-CD1 3.46Å; F28-I302 HydrophobicContact CE2-CG1 3.95Å; F28-I302 HydrophobicContact CG-CD1 4.3Å; F28-I302 HydrophobicContact CZ-CD1 3.75Å; F28-I302 HydrophobicContact CZ-CG1 3.83Å; F28-I302 WeakPolarHBondContact O-CD1 3.43Å; F28-F312 WeakPolarHBondContact CE1-O 3.43Å; F28-F312 HydrophobicContact CE2-CD1 4.25Å; F28-F312 AromaticContact CE2-CE1 3.74Å; F28-F312 HydrophobicContact CE2-CE1 3.74Å; F28-F312 HydrophobicContact CE2-CZ 4.08Å; F28-F312 AromaticContact CZ-CD1 3.58Å; F28-F312 HydrophobicContact CZ-CD1 3.58Å; F28-F312 HydrophobicContact CZ-CD2 4.41Å; F28-F312 AromaticContact CZ-CE1 3.52Å; F28-F312 HydrophobicContact CZ-CE1 3.52Å; F28-F312 HydrophobicContact CZ-CE2 4.37Å; F28-F312 HydrophobicContact CZ-CG 4.01Å; F28-F312 AromaticContact CZ-CZ 3.93Å; F28-F312 HydrophobicContact CZ-CZ 3.93Å; F28-V314 HydrophobicContact CB-CG2 4.22Å; F28-V314 HydrophobicContact CD1-CB 4.09Å; F28-V314 HydrophobicContact CD1-CG2 4.44Å; F28-V314 HydrophobicContact CD2-CG2 4.22Å; F28-V314 HydrophobicContact CE1-CB 4.39Å; F28-V314 HydrophobicContact CG-CB 4.2Å; F28-V314 HydrophobicContact CG-CG2 4.03Å; F28-Y317 AromaticContact CD2-CD2 3.57Å; F28-Y317 HydrophobicContact CD2-CD2 3.57Å; F28-Y317 AromaticContact CD2-CE2 3.86Å; F28-Y317 HydrophobicContact CD2-CE2 3.86Å; F28-Y317 AromaticContact CE2-CD2 3.48Å; F28-Y317 HydrophobicContact CE2-CD2 3.48Å; F28-Y317 VanDerWaalsContact CE2-CD2 3.48Å; F28-Y317 HydrophobicContact CE2-CE2 4.01Å
29	R	91.8	Very high	92.7	Very high	134 Å²	134	62.5 Å²	62.5	51%	0.506	32%	0.316	S	S	.	.	H	α-helix	trans	-69.1	-31	-177.3	-63.1	-169	-178.9	-74.5	-3	113.4	R27 K299 F312 D313	R27-R29 PolarHBondContact O-N 3.42Å; R29-K299 WeakPolarHBondContact O-CD 3.31Å; R29-K299 WeakPolarHBondContact O-CE 3.27Å; R29-F312 PolarHBondContact NH1-O 3.3Å; R29-D313 IonicContact NH2-OD1 3.16Å; R29-D313 PolarHBondContact NH2-OD1 3.4Å
30	E	92.2	Very high	93.5	Very high	148 Å²	148	57.2 Å²	57.2	69%	0.692	29%	0.289	S	S	*	.	H	α-helix	trans	-86.2	-32.4	-171.8	-64.3	176.1	176.6	0	0	112.9	R27 F28 K299	R27-E30 PolarHBondContact O-N 3.01Å; F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.74Å; E30-K299 WeakPolarHBondContact O-CD 3.41Å; E30-K299 WeakPolarHBondContact O-CE 3.5Å
31	S	93.3	Very high	94.2	Very high	43 Å²	43	58.8 Å²	58.8	30%	0.301	30%	0.3	S	S	.	.	H	α-helix	trans	-141.7	-4.3	-171.7	60.3	0	0	0	0	114.8	R27 V33 A295	R27-S31 PolarHBondContact O-N 3.49Å; R27-S31 PolarHBondContact O-OG 2.93Å; S31-V33 PolarHBondContact O-N 2.88Å; S31-V33 VanDerWaalsContact OG-CG2 3.24Å; S31-V33 WeakPolarHBondContact OG-CG2 3.37Å; S31-A295 CarbonylContact O-C 3.57Å
32	G	94.4	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	75.8	4.9	-178.6	0	0	0	0	0	114.8	F28 Y317	F28-G32 VanDerWaalsContact O-CA 3.26Å; F28-G32 WeakPolarHBondContact O-CA 3.23Å; F28-G32 PolarHBondContact O-N 3.37Å; G32-Y317 VanDerWaalsContact O-CE2 3.23Å; G32-Y317 WeakPolarHBondContact O-CE2 3.32Å; G32-Y317 PolarHBondContact O-OH 3.44Å
33	V	96.6	Very high	95.1	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.085	25%	0.254	C	S	.	.			trans	-86.5	160.3	172.9	-53.1	0	0	0	0	111.5	L23 R27 F28 S31 Q237 V238 A295	L23-V33 HydrophobicContact CD2-CG2 3.68Å; R27-V33 CarbonylContact C-O 3.53Å; R27-V33 HydrophobicContact CB-CG2 3.61Å; F28-V33 WeakPolarHBondContact CA-O 3.1Å; F28-V33 PolarHBondContact N-O 3.25Å; S31-V33 PolarHBondContact O-N 2.88Å; S31-V33 VanDerWaalsContact OG-CG2 3.24Å; S31-V33 WeakPolarHBondContact OG-CG2 3.37Å; V33-Q237 HydrophobicContact CB-CB 3.87Å; V33-Q237 HydrophobicContact CG1-CB 4.27Å; V33-V238 HydrophobicContact CG1-CG1 4.47Å; V33-A295 HydrophobicContact CG1-CB 3.74Å
34	I	97.5	Very high	95.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.			trans	-132.9	151.1	179.7	55.7	175.4	0	0	0	112.3	F28 E38 F39 Y232 Q237 P239 V314 Y317	F28-I34 HydrophobicContact CB-CG2 4.4Å; F28-I34 HydrophobicContact CD2-CG2 4.13Å; I34-E38 VanDerWaalsContact CA-OE2 3.32Å; I34-E38 WeakPolarHBondContact CA-OE2 3.35Å; I34-E38 HydrophobicContact CB-CB 3.96Å; I34-E38 HydrophobicContact CG2-CB 4.37Å; I34-F39 HydrophobicContact CD1-CB 3.91Å; I34-F39 HydrophobicContact CD1-CD2 4.24Å; I34-Y232 HydrophobicContact CG1-CE2 4.15Å; I34-Y232 VanDerWaalsContact O-CE2 3.23Å; I34-Y232 WeakPolarHBondContact O-CE2 3.21Å; I34-Y232 PolarHBondContact O-OH 2.74Å; I34-Q237 PolarHBondContact N-O 2.85Å; I34-P239 HydrophobicContact CD1-CG 3.94Å; I34-V314 HydrophobicContact CG2-CG2 3.84Å; I34-Y317 HydrophobicContact CD1-CD1 3.95Å; I34-Y317 HydrophobicContact CD1-CD2 4.39Å; I34-Y317 HydrophobicContact CD1-CE1 4.07Å; I34-Y317 HydrophobicContact CD1-CE2 4.47Å; I34-Y317 HydrophobicContact CD1-CG 4.14Å; I34-Y317 HydrophobicContact CG2-CD2 3.36Å; I34-Y317 HydrophobicContact CG2-CE2 3.41Å; I34-Y317 VanDerWaalsContact CG2-CE2 3.41Å; I34-Y317 HydrophobicContact CG2-CG 4.07Å
35	T	97.8	Very high	95.6	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.043	23%	0.23	C	C	.	.			trans	-74	163.1	171.5	72.6	0	0	0	0	111	L23 E25 D37 E38 F39	L23-T35 HydrophobicContact CB-CG2 4.46Å; L23-T35 HydrophobicContact CD2-CG2 4.01Å; L23-T35 HydrophobicContact CG-CG2 4Å; L23-T35 WeakPolarHBondContact O-CB 3.44Å; E25-T35 WeakPolarHBondContact O-CG2 3.44Å; T35-D37 PolarHBondContact O-N 3.08Å; T35-D37 PolarHBondContact OG1-N 3.47Å; T35-E38 PolarHBondContact N-OE2 2.89Å; T35-E38 PolarHBondContact O-N 3.17Å; T35-E38 WeakPolarHBondContact OG1-CB 3.33Å; T35-E38 VanDerWaalsContact OG1-CG 3.28Å; T35-E38 WeakPolarHBondContact OG1-CG 3.47Å; T35-E38 PolarHBondContact OG1-N 3.29Å; T35-F39 PolarHBondContact O-N 2.95Å
36	P	97.6	Very high	95.7	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.039	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-37	170.5	-25.1	34.6	0	0	0	113.2	V22 L23 F39 V40 Y66 L67 Y232	V22-P36 HydrophobicContact CG1-CG 3.59Å; L23-P36 WeakPolarHBondContact O-CD 3.46Å; P36-F39 WeakPolarHBondContact O-CB 3.46Å; P36-F39 PolarHBondContact O-N 3.46Å; P36-V40 WeakPolarHBondContact O-CG2 3.4Å; P36-V40 PolarHBondContact O-N 2.85Å; P36-Y66 HydrophobicContact CB-CD2 4.12Å; P36-Y66 WeakPolarHBondContact CB-O 3.42Å; P36-Y66 HydrophobicContact CG-CD2 3.87Å; P36-L67 HydrophobicContact CB-CD2 3.84Å; P36-L67 HydrophobicContact CB-CG 4.49Å; P36-Y232 HydrophobicContact CG-CD1 4.5Å; P36-Y232 HydrophobicContact CG-CE1 3.86Å
37	D	97.3	Very high	95.6	Very high	120 Å²	120	37.1 Å²	37.1	64%	0.642	19%	0.185	S	C	*	.	H	α-helix	trans	-68.1	-39.2	178.3	-70.1	-29	0	0	0	111.5	T35 V40 S41	T35-D37 PolarHBondContact O-N 3.08Å; T35-D37 PolarHBondContact OG1-N 3.47Å; D37-V40 PolarHBondContact O-N 2.88Å; D37-S41 PolarHBondContact O-N 3.42Å
38	E	98.1	Very high	95.5	Very high	24 Å²	24	38 Å²	38	11%	0.112	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-39.9	173.5	-74.5	175.2	149.6	0	0	111.9	S26 I34 T35 V40 S41 A42 V314	S26-E38 WeakPolarHBondContact CB-OE1 3.41Å; S26-E38 PolarHBondContact OG-OE1 2.84Å; I34-E38 VanDerWaalsContact CA-OE2 3.32Å; I34-E38 WeakPolarHBondContact CA-OE2 3.35Å; I34-E38 HydrophobicContact CB-CB 3.96Å; I34-E38 HydrophobicContact CG2-CB 4.37Å; T35-E38 PolarHBondContact N-OE2 2.89Å; T35-E38 PolarHBondContact O-N 3.17Å; T35-E38 WeakPolarHBondContact OG1-CB 3.33Å; T35-E38 VanDerWaalsContact OG1-CG 3.28Å; T35-E38 WeakPolarHBondContact OG1-CG 3.47Å; T35-E38 PolarHBondContact OG1-N 3.29Å; E38-V40 VanDerWaalsContact C-N 3.31Å; E38-V40 PolarHBondContact O-N 3.21Å; E38-S41 PolarHBondContact O-N 2.91Å; E38-A42 WeakPolarHBondContact O-CB 3.27Å; E38-A42 PolarHBondContact O-N 3.46Å; E38-V314 HydrophobicContact CB-CG2 3.71Å; E38-V314 HydrophobicContact CG-CG1 4.29Å; E38-V314 HydrophobicContact CG-CG2 3.76Å
39	F	98.4	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.2	-43.5	171.9	173.3	-104.7	0	0	0	111.5	I34 T35 P36 A42 G43 W55 L67 L74 I230 Y232 P239 L318	I34-F39 HydrophobicContact CD1-CB 3.91Å; I34-F39 HydrophobicContact CD1-CD2 4.24Å; T35-F39 PolarHBondContact O-N 2.95Å; P36-F39 WeakPolarHBondContact O-CB 3.46Å; P36-F39 PolarHBondContact O-N 3.46Å; F39-A42 PolarHBondContact O-N 3.48Å; F39-G43 PolarHBondContact O-N 2.89Å; F39-W55 HydrophobicContact CD1-CH2 4.02Å; F39-W55 AromaticContact CE1-CH2 3.65Å; F39-W55 HydrophobicContact CE1-CH2 3.65Å; F39-W55 AromaticContact CE1-CZ3 3.78Å; F39-W55 HydrophobicContact CE1-CZ3 3.78Å; F39-W55 HydrophobicContact CZ-CH2 4.25Å; F39-W55 HydrophobicContact CZ-CZ3 4.33Å; F39-L67 HydrophobicContact CD1-CD2 4.07Å; F39-L74 HydrophobicContact CZ-CD1 4.46Å; F39-I230 HydrophobicContact CE2-CG2 3.95Å; F39-I230 HydrophobicContact CZ-CG2 4.35Å; F39-Y232 HydrophobicContact CB-CD2 3.79Å; F39-Y232 HydrophobicContact CB-CE2 4.36Å; F39-Y232 HydrophobicContact CB-CG 4.48Å; F39-Y232 HydrophobicContact CD1-CD2 4.45Å; F39-Y232 HydrophobicContact CD1-CG 4.41Å; F39-Y232 HydrophobicContact CD2-CD2 4.22Å; F39-Y232 AromaticContact CG-CD2 3.9Å; F39-Y232 HydrophobicContact CG-CD2 3.9Å; F39-Y232 HydrophobicContact CG-CG 4.31Å; F39-P239 HydrophobicContact CD2-CG 4.27Å; F39-P239 HydrophobicContact CE2-CB 4.33Å; F39-P239 HydrophobicContact CE2-CG 4.45Å; F39-L318 HydrophobicContact CD2-CD2 4.39Å; F39-L318 HydrophobicContact CE2-CD1 4.35Å; F39-L318 HydrophobicContact CE2-CD2 4.21Å
40	V	98.3	Very high	95.2	Very high	15 Å²	15	34.7 Å²	34.7	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-45.7	175	169.7	0	0	0	0	111.1	P36 D37 E38 A42 G43 D44 W55 L67 P68 K71	P36-V40 WeakPolarHBondContact O-CG2 3.4Å; P36-V40 PolarHBondContact O-N 2.85Å; D37-V40 PolarHBondContact O-N 2.88Å; E38-V40 VanDerWaalsContact C-N 3.31Å; E38-V40 PolarHBondContact O-N 3.21Å; V40-A42 PolarHBondContact O-N 3.26Å; V40-G43 PolarHBondContact O-N 3.47Å; V40-D44 PolarHBondContact O-N 3.19Å; V40-W55 HydrophobicContact CG1-CZ2 4.49Å; V40-W55 HydrophobicContact CG2-CH2 4.32Å; V40-L67 HydrophobicContact CG2-CD2 3.83Å; V40-P68 HydrophobicContact CG2-CG 4.24Å; V40-K71 HydrophobicContact CG1-CD 3.61Å; V40-K71 HydrophobicContact CG2-CB 4.48Å
41	S	97.4	Very high	94.9	Very high	55 Å²	55	31.9 Å²	31.9	39%	0.385	18%	0.184	S	C	.	.	H	α-helix	trans	-62	-42.7	177.8	-175.1	0	0	0	0	112.4	D37 E38 G43 D44 H45	D37-S41 PolarHBondContact O-N 3.42Å; E38-S41 PolarHBondContact O-N 2.91Å; S41-G43 VanDerWaalsContact C-N 3.34Å; S41-D44 PolarHBondContact O-N 3.42Å; S41-H45 PolarHBondContact O-N 3.38Å; S41-H45 VanDerWaalsContact O-N 3.1Å
42	A	97.2	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.6	-34.9	177.4	0	0	0	0	0	111.8	E38 F39 V40 H45 L46 H315 L318	E38-A42 WeakPolarHBondContact O-CB 3.27Å; E38-A42 PolarHBondContact O-N 3.46Å; F39-A42 PolarHBondContact O-N 3.48Å; V40-A42 PolarHBondContact O-N 3.26Å; A42-H45 PolarHBondContact O-N 2.92Å; A42-L46 WeakPolarHBondContact O-CB 3.5Å; A42-L46 PolarHBondContact O-N 3.49Å; A42-H315 WeakPolarHBondContact CA-O 3.35Å; A42-L318 HydrophobicContact CB-CB 4.38Å; A42-L318 HydrophobicContact CB-CD1 4.18Å; A42-L318 HydrophobicContact CB-CG 3.85Å
43	G	97.6	Very high	94.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-44.2	173.4	0	0	0	0	0	112.8	F39 V40 S41 H45 L46 T47	F39-G43 PolarHBondContact O-N 2.89Å; V40-G43 PolarHBondContact O-N 3.47Å; S41-G43 VanDerWaalsContact C-N 3.34Å; G43-H45 VanDerWaalsContact C-N 3.31Å; G43-H45 PolarHBondContact O-N 3.1Å; G43-L46 PolarHBondContact O-N 2.88Å; G43-T47 WeakPolarHBondContact O-CG2 3.47Å; G43-T47 PolarHBondContact O-N 3.18Å; G43-T47 PolarHBondContact O-OG1 3.05Å
44	D	97.1	Very high	94.4	Very high	57 Å²	57	33.7 Å²	33.7	31%	0.305	19%	0.189	S	C	.	.	H	α-helix	trans	-58.1	-46.5	173.9	-72.7	-17.7	0	0	0	111.2	V40 S41 L46 T47 L48 W55 K71	V40-D44 PolarHBondContact O-N 3.19Å; S41-D44 PolarHBondContact O-N 3.42Å; D44-L46 PolarHBondContact O-N 3.28Å; D44-T47 PolarHBondContact O-N 3.33Å; D44-T47 PolarHBondContact O-OG1 3.09Å; D44-L48 PolarHBondContact O-N 3.47Å; D44-W55 PolarHBondContact OD1-NE1 3.3Å; D44-K71 WeakPolarHBondContact OD1-CE 3.23Å; D44-K71 IonicContact OD1-NZ 2.82Å; D44-K71 PolarHBondContact OD1-NZ 3.18Å; D44-K71 IonicContact OD2-NZ 2.75Å; D44-K71 PolarHBondContact OD2-NZ 3.49Å
45	H	94.5	Very high	94.4	Very high	17 Å²	17	35.9 Å²	35.9	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-43.4	176.1	-179.1	-115.2	0	0	0	112.5	S41 A42 G43 L48 L49 H315	S41-H45 PolarHBondContact O-N 3.38Å; S41-H45 VanDerWaalsContact O-N 3.1Å; A42-H45 PolarHBondContact O-N 2.92Å; G43-H45 VanDerWaalsContact C-N 3.31Å; G43-H45 PolarHBondContact O-N 3.1Å; H45-L48 WeakPolarHBondContact O-CB 3.39Å; H45-L48 PolarHBondContact O-N 3.29Å; H45-L49 WeakPolarHBondContact CE1-CD1 3.34Å; H45-L49 WeakPolarHBondContact O-CG 3.47Å; H45-L49 PolarHBondContact O-N 3.05Å; H45-L49 VanDerWaalsContact O-N 3.09Å; H45-H315 HydrophobicContact CB-CB 4.22Å; H45-H315 WeakPolarHBondContact CB-O 3.49Å; H45-H315 AromaticContact CD2-CD2 3.79Å; H45-H315 AromaticContact CE1-CD2 3.67Å; H45-H315 AromaticContact CG-CD2 3.82Å; H45-H315 AromaticContact ND1-CD2 3.75Å; H45-H315 PolarHBondContact ND1-O 3.25Å; H45-H315 AromaticContact NE2-CD2 3.71Å
46	L	94.4	Very high	94.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175	176	63.9	0	0	0	112	A42 G43 D44 L48 L49 C50 W53 L74 I230 L318 V319 L322	A42-L46 WeakPolarHBondContact O-CB 3.5Å; A42-L46 PolarHBondContact O-N 3.49Å; G43-L46 PolarHBondContact O-N 2.88Å; D44-L46 PolarHBondContact O-N 3.28Å; L46-L48 PolarHBondContact O-N 3.44Å; L46-L49 PolarHBondContact O-N 2.84Å; L46-C50 HydrophobicContact CD1-CB 4.16Å; L46-C50 PolarHBondContact O-N 3.39Å; L46-W53 HydrophobicContact CD1-CG 4.45Å; L46-W53 HydrophobicContact CD2-CB 4.22Å; L46-W53 HydrophobicContact CD2-CD2 3.93Å; L46-W53 HydrophobicContact CD2-CE3 4.44Å; L46-W53 HydrophobicContact CD2-CG 3.83Å; L46-W53 HydrophobicContact CG-CB 4.16Å; L46-W53 HydrophobicContact CG-CG 4.02Å; L46-L74 HydrophobicContact CD2-CD1 4.25Å; L46-I230 HydrophobicContact CD2-CD1 4.33Å; L46-L318 HydrophobicContact CB-CB 4.38Å; L46-L318 HydrophobicContact CD2-CB 4.2Å; L46-L318 HydrophobicContact CD2-CD1 4.25Å; L46-V319 HydrophobicContact CD1-CG2 4.23Å; L46-L322 HydrophobicContact CD1-CD1 3.64Å; L46-L322 HydrophobicContact CD2-CD1 3.9Å; L46-L322 HydrophobicContact CG-CD1 4.45Å
47	T	92.3	Very high	94.2	Very high	36 Å²	36	41.3 Å²	41.3	22%	0.221	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-27.6	-179.5	61.2	0	0	0	0	113	G43 D44 W53 L74	G43-T47 WeakPolarHBondContact O-CG2 3.47Å; G43-T47 PolarHBondContact O-N 3.18Å; G43-T47 PolarHBondContact O-OG1 3.05Å; D44-T47 PolarHBondContact O-N 3.33Å; D44-T47 PolarHBondContact O-OG1 3.09Å; T47-W53 HydrophobicContact CG2-CB 4.41Å; T47-W53 WeakPolarHBondContact CG2-O 3.28Å; T47-L74 HydrophobicContact CG2-CD2 3.47Å; T47-L74 VanDerWaalsContact CG2-CD2 3.47Å
48	L	90.3	Very high	93.9	Very high	118 Å²	118	36.4 Å²	36.4	62%	0.618	20%	0.201	S	C	*	.	H	α-helix	trans	-71.5	-43.8	173.9	-176.9	68.9	0	0	0	111.6	D44 H45 L46 M147	D44-L48 PolarHBondContact O-N 3.47Å; H45-L48 WeakPolarHBondContact O-CB 3.39Å; H45-L48 PolarHBondContact O-N 3.29Å; L46-L48 PolarHBondContact O-N 3.44Å; L48-M147 HydrophobicContact CD2-CE 3.79Å; L48-M147 HydrophobicContact CD2-SD 4.27Å
49	L	88.1	Confident	93.7	Very high	67 Å²	67	38.2 Å²	38.2	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-75.4	-39	-179.2	-69.5	-178.7	0	0	0	113	H45 L46 V319	H45-L49 WeakPolarHBondContact CE1-CD1 3.34Å; H45-L49 WeakPolarHBondContact O-CG 3.47Å; H45-L49 PolarHBondContact O-N 3.05Å; H45-L49 VanDerWaalsContact O-N 3.09Å; L46-L49 PolarHBondContact O-N 2.84Å; L49-V319 HydrophobicContact CD1-CG2 3.96Å
50	C	88.1	Confident	93.3	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	24%	0.241	C	C	.	.			trans	-126.6	86.1	-174.2	-63.1	0	0	0	0	109	L46 T52 W53 D335	L46-C50 HydrophobicContact CD1-CB 4.16Å; L46-C50 PolarHBondContact O-N 3.39Å; C50-T52 PolarHBondContact O-N 3.42Å; C50-W53 PolarHBondContact O-N 3.27Å; C50-D335 HydrophobicContact CB-CB 4.29Å; C50-D335 WeakPolarHBondContact CB-OD2 3.38Å; C50-D335 VanDerWaalsContact SG-CG 3.5Å; C50-D335 PolarHBondContact SG-OD1 3.11Å; C50-D335 VanDerWaalsContact SG-OD1 3.36Å
51	P	86.8	Confident	93.1	Very high	89 Å²	89	47.7 Å²	47.7	58%	0.578	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-7.1	-176.2	-24.9	35.1	0	0	0	115.5	W53	P51-W53 VanDerWaalsContact C-N 3.29Å
52	T	86.8	Confident	92.8	Very high	28 Å²	28	49.5 Å²	49.5	17%	0.172	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.5	170.8	58.7	0	0	0	0	112	C50 T76 D335	C50-T52 PolarHBondContact O-N 3.42Å; T52-T76 PolarHBondContact O-OG1 2.82Å; T52-D335 HydrophobicContact CG2-CB 4.39Å; T52-D335 VanDerWaalsContact OG1-CB 3.32Å; T52-D335 WeakPolarHBondContact OG1-CB 3.2Å
53	W	93.2	Very high	92.6	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.4	170.8	-71.4	95	0	0	0	110.6	L46 T47 C50 P51 L74 I75 T76 L228 I230 M241 L322 Y334 D335	L46-W53 HydrophobicContact CD1-CG 4.45Å; L46-W53 HydrophobicContact CD2-CB 4.22Å; L46-W53 HydrophobicContact CD2-CD2 3.93Å; L46-W53 HydrophobicContact CD2-CE3 4.44Å; L46-W53 HydrophobicContact CD2-CG 3.83Å; L46-W53 HydrophobicContact CG-CB 4.16Å; L46-W53 HydrophobicContact CG-CG 4.02Å; T47-W53 HydrophobicContact CG2-CB 4.41Å; T47-W53 WeakPolarHBondContact CG2-O 3.28Å; C50-W53 PolarHBondContact O-N 3.27Å; P51-W53 VanDerWaalsContact C-N 3.29Å; W53-L74 HydrophobicContact CE3-CB 3.92Å; W53-L74 HydrophobicContact CZ3-CB 4.29Å; W53-I75 WeakPolarHBondContact CA-O 3.14Å; W53-T76 HydrophobicContact CD2-CG2 3.89Å; W53-T76 HydrophobicContact CE3-CG2 3.9Å; W53-T76 HydrophobicContact CH2-CG2 3.52Å; W53-T76 HydrophobicContact CZ2-CG2 3.46Å; W53-T76 VanDerWaalsContact CZ2-CG2 3.46Å; W53-T76 HydrophobicContact CZ3-CG2 3.73Å; W53-L228 HydrophobicContact CH2-CB 4.13Å; W53-I230 HydrophobicContact CE3-CD1 4.29Å; W53-I230 HydrophobicContact CH2-CD1 3.58Å; W53-I230 HydrophobicContact CH2-CG1 3.79Å; W53-I230 HydrophobicContact CZ2-CD1 4.16Å; W53-I230 HydrophobicContact CZ3-CD1 3.66Å; W53-I230 HydrophobicContact CZ3-CG1 3.77Å; W53-M241 HydrophobicContact CH2-CE 4.02Å; W53-M241 HydrophobicContact CH2-SD 4.3Å; W53-L322 HydrophobicContact CH2-CD2 4.2Å; W53-L322 HydrophobicContact CZ2-CD1 4.02Å; W53-L322 HydrophobicContact CZ2-CD2 3.69Å; W53-Y334 HydrophobicContact CZ2-CD2 4.16Å; W53-D335 PolarHBondContact NE1-O 3.1Å
54	Q	94.1	Very high	92.5	Very high	66 Å²	66	54.3 Å²	54.3	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.7	-179.9	-64.1	178.6	-0.2	0	0	110.4	L74 I75 Y80	Q54-L74 CarbonylContact O-C 3.48Å; Q54-L74 WeakPolarHBondContact O-CA 3.4Å; Q54-I75 PolarHBondContact N-O 2.94Å; Q54-I75 PolarHBondContact O-N 2.87Å; Q54-Y80 VanDerWaalsContact NE2-CD2 3.3Å; Q54-Y80 PolarHBondContact OE1-OH 3.36Å
55	W	97.3	Very high	92.3	Very high	46 Å²	46	57.8 Å²	57.8	17%	0.174	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	144.6	169	-77	112.7	0	0	0	111.6	F39 V40 D44 N70 K71 L74	F39-W55 HydrophobicContact CD1-CH2 4.02Å; F39-W55 AromaticContact CE1-CH2 3.65Å; F39-W55 HydrophobicContact CE1-CH2 3.65Å; F39-W55 AromaticContact CE1-CZ3 3.78Å; F39-W55 HydrophobicContact CE1-CZ3 3.78Å; F39-W55 HydrophobicContact CZ-CH2 4.25Å; F39-W55 HydrophobicContact CZ-CZ3 4.33Å; V40-W55 HydrophobicContact CG1-CZ2 4.49Å; V40-W55 HydrophobicContact CG2-CH2 4.32Å; D44-W55 PolarHBondContact OD1-NE1 3.3Å; W55-N70 WeakPolarHBondContact CB-O 3.36Å; W55-K71 HydrophobicContact CB-CG 4.32Å; W55-K71 HydrophobicContact CD2-CB 3.65Å; W55-K71 HydrophobicContact CD2-CD 4.2Å; W55-K71 HydrophobicContact CD2-CG 3.76Å; W55-K71 HydrophobicContact CE3-CB 3.59Å; W55-K71 HydrophobicContact CE3-CG 4.22Å; W55-K71 HydrophobicContact CG-CB 4.19Å; W55-K71 HydrophobicContact CG-CD 4.35Å; W55-K71 HydrophobicContact CG-CG 3.82Å; W55-K71 HydrophobicContact CH2-CB 4.18Å; W55-K71 HydrophobicContact CZ2-CB 4.22Å; W55-K71 HydrophobicContact CZ2-CD 4.24Å; W55-K71 HydrophobicContact CZ3-CB 3.86Å; W55-K71 WeakPolarHBondContact CZ3-O 3.49Å; W55-L74 HydrophobicContact CD2-CD2 3.79Å; W55-L74 HydrophobicContact CD2-CG 4.13Å; W55-L74 HydrophobicContact CE3-CD2 4.11Å; W55-L74 HydrophobicContact CE3-CG 3.93Å; W55-L74 HydrophobicContact CG-CD2 4.15Å; W55-L74 HydrophobicContact CH2-CD1 4.3Å; W55-L74 HydrophobicContact CH2-CG 4.2Å; W55-L74 HydrophobicContact CZ2-CD2 4.31Å; W55-L74 HydrophobicContact CZ2-CG 4.38Å; W55-L74 HydrophobicContact CZ3-CD1 4.48Å; W55-L74 HydrophobicContact CZ3-CG 3.97Å
56	A	95.9	Very high	92.3	Very high	20 Å²	20	59.1 Å²	59.1	17%	0.165	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.5	175.8	0	0	0	0	0	111.4	Q72 F73 I75	A56-Q72 WeakPolarHBondContact O-CB 3.26Å; A56-Q72 PolarHBondContact O-N 3.42Å; A56-Q72 VanDerWaalsContact O-N 3.08Å; A56-F73 HydrophobicContact CB-CD1 4.31Å; A56-F73 HydrophobicContact CB-CD2 4.12Å; A56-F73 HydrophobicContact CB-CE1 3.79Å; A56-F73 HydrophobicContact CB-CE2 3.58Å; A56-F73 HydrophobicContact CB-CG 4.45Å; A56-F73 HydrophobicContact CB-CZ 3.38Å; A56-F73 PolarHBondContact N-O 2.92Å; A56-F73 PolarHBondContact O-N 3.34Å; A56-I75 HydrophobicContact CB-CG2 4.01Å
57	K	94.8	Very high	92.5	Very high	106 Å²	106	59.7 Å²	59.7	46%	0.461	33%	0.327	S	S	.	.			trans	-88	-27.7	177.2	67.5	164.5	-168.6	168.2	0	114.1	E60 A69 Q72	K57-E60 IonicContact NZ-OE1 2.65Å; K57-E60 PolarHBondContact NZ-OE1 3.37Å; K57-A69 VanDerWaalsContact CB-O 3.23Å; K57-A69 WeakPolarHBondContact CB-O 3.25Å; K57-Q72 WeakPolarHBondContact O-CG 2.87Å
58	G	91.8	Very high	92.7	Very high	18 Å²	18	60.5 Å²	60.5	19%	0.186	33%	0.333	C	S	.	.			trans	70.8	-158.4	-173.7	0	0	0	0	0	114.2	H280	G58-H280 WeakPolarHBondContact CA-O 3.42Å
59	D	92.7	Very high	92.9	Very high	62 Å²	62	57.4 Å²	57.4	33%	0.332	33%	0.325	S	S	.	.			trans	-74.3	134.6	170.5	-171.8	-2.2	0	0	0	110.4	A61 Q62 M63 H280	D59-A61 PolarHBondContact O-N 2.94Å; D59-A61 PolarHBondContact OD1-N 2.79Å; D59-Q62 HydrophobicContact CB-CB 4.35Å; D59-Q62 HydrophobicContact CB-CG 4.25Å; D59-Q62 PolarHBondContact O-N 3.32Å; D59-M63 PolarHBondContact O-N 2.9Å; D59-H280 PolarHBondContact N-O 3.43Å
60	E	91.5	Very high	93.3	Very high	132 Å²	132	59.2 Å²	59.2	62%	0.617	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.5	-30.2	-177.6	-67.8	178.4	-175.4	0	0	111.6	K57 Q62	K57-E60 IonicContact NZ-OE1 2.65Å; K57-E60 PolarHBondContact NZ-OE1 3.37Å; E60-Q62 PolarHBondContact O-N 3.48Å
61	A	92.1	Very high	93.8	Very high	82 Å²	82	61.1 Å²	61.1	68%	0.678	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-70.2	-17.1	175.7	0	0	0	0	0	113.8	D59	D59-A61 PolarHBondContact O-N 2.94Å; D59-A61 PolarHBondContact OD1-N 2.79Å
62	Q	91.7	Very high	94.3	Very high	92 Å²	92	56.9 Å²	56.9	43%	0.43	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-112	14.6	-175.1	-62.2	-63.2	-22	0	0	112.5	D59 E60 K64 P279 H280	D59-Q62 HydrophobicContact CB-CB 4.35Å; D59-Q62 HydrophobicContact CB-CG 4.25Å; D59-Q62 PolarHBondContact O-N 3.32Å; E60-Q62 PolarHBondContact O-N 3.48Å; Q62-K64 PolarHBondContact O-N 3.29Å; Q62-P279 WeakPolarHBondContact CB-O 3.5Å; Q62-H280 PolarHBondContact O-ND1 3.03Å
63	M	93.4	Very high	94.8	Very high	68 Å²	68	55.7 Å²	55.7	34%	0.335	31%	0.308	S	S	.	.			trans	-71.5	129.7	-179.7	-166.1	175.6	-66.7	0	0	110.7	D59 A69 Q72	D59-M63 PolarHBondContact O-N 2.9Å; M63-A69 HydrophobicContact CE-CB 3.97Å; M63-A69 HydrophobicContact SD-CB 3.55Å; M63-A69 VanDerWaalsContact SD-CB 3.55Å; M63-Q72 HydrophobicContact CG-CG 4.15Å
64	K	94.5	Very high	95	Very high	33 Å²	33	55.7 Å²	55.7	14%	0.143	31%	0.308	C	S	.	.			trans	-90	124.7	179.2	-57.3	-67.9	-179.9	163.5	0	109.1	E17 Q62 Y66 L67 Q72 H280	E17-K64 IonicContact OE1-NZ 2.65Å; E17-K64 PolarHBondContact OE1-NZ 3.45Å; E17-K64 IonicContact OE2-NZ 2.73Å; E17-K64 PolarHBondContact OE2-NZ 3.05Å; Q62-K64 PolarHBondContact O-N 3.29Å; K64-Y66 VanDerWaalsContact C-N 3.26Å; K64-Y66 HydrophobicContact CB-CD1 4.25Å; K64-Y66 HydrophobicContact CB-CE1 3.7Å; K64-Y66 HydrophobicContact CB-CE2 4.07Å; K64-Y66 HydrophobicContact CD-CE1 4.15Å; K64-Y66 HydrophobicContact CG-CE1 4.25Å; K64-Y66 PolarHBondContact O-N 3.15Å; K64-L67 PolarHBondContact O-N 2.94Å; K64-Q72 PolarHBondContact O-NE2 3.1Å; K64-H280 VanDerWaalsContact CG-CE1 3.46Å; K64-H280 WeakPolarHBondContact CG-CE1 3.27Å
65	P	94.4	Very high	95.1	Very high	130 Å²	130	53.6 Å²	53.6	84%	0.844	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.2	-172	28.3	-35.9	0	0	0	114.1	L67	P65-L67 VanDerWaalsContact C-N 3.28Å
66	Y	94.4	Very high	94.8	Very high	45 Å²	45	51.6 Å²	51.6	18%	0.176	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.6	177.2	57	-97.3	0	0	0	113.1	V22 P36 K64 Y232 K234	V22-Y66 HydrophobicContact CG2-CD1 4.18Å; V22-Y66 HydrophobicContact CG2-CG 4.11Å; P36-Y66 HydrophobicContact CB-CD2 4.12Å; P36-Y66 WeakPolarHBondContact CB-O 3.42Å; P36-Y66 HydrophobicContact CG-CD2 3.87Å; K64-Y66 VanDerWaalsContact C-N 3.26Å; K64-Y66 HydrophobicContact CB-CD1 4.25Å; K64-Y66 HydrophobicContact CB-CE1 3.7Å; K64-Y66 HydrophobicContact CB-CE2 4.07Å; K64-Y66 HydrophobicContact CD-CE1 4.15Å; K64-Y66 HydrophobicContact CG-CE1 4.25Å; K64-Y66 PolarHBondContact O-N 3.15Å; Y66-Y232 AromaticContact CE2-CD1 3.85Å; Y66-Y232 HydrophobicContact CE2-CD1 3.85Å; Y66-Y232 HydrophobicContact CE2-CE1 4.28Å; Y66-K234 HydrophobicContact CD1-CD 4.07Å; Y66-K234 HydrophobicContact CE1-CD 3.5Å
67	L	97.2	Very high	94.2	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.063	30%	0.301	C	S	.	.	S	Bend	trans	-124.7	149.1	173.8	-74.2	169.3	0	0	0	109.9	P36 F39 V40 K64 P65 Q72	P36-L67 HydrophobicContact CB-CD2 3.84Å; P36-L67 HydrophobicContact CB-CG 4.49Å; F39-L67 HydrophobicContact CD1-CD2 4.07Å; V40-L67 HydrophobicContact CG2-CD2 3.83Å; K64-L67 PolarHBondContact O-N 2.94Å; P65-L67 VanDerWaalsContact C-N 3.28Å; L67-Q72 PolarHBondContact O-NE2 2.77Å; L67-Q72 VanDerWaalsContact O-NE2 3.1Å
68	P	97.2	Very high	92.3	Very high	53 Å²	53	53.3 Å²	53.3	34%	0.344	30%	0.295	S	S	.	.			trans	-59.3	142.7	173.7	-21.4	32.2	0	0	0	112.1	V40 N70 K71 Q72	V40-P68 HydrophobicContact CG2-CG 4.24Å; P68-N70 PolarHBondContact O-N 3.45Å; P68-N70 VanDerWaalsContact O-N 3.1Å; P68-K71 HydrophobicContact CB-CB 4.13Å; P68-K71 HydrophobicContact CB-CG 4.46Å; P68-K71 HydrophobicContact CG-CB 4.33Å; P68-K71 CarbonylContact O-C 3.41Å; P68-K71 PolarHBondContact O-N 3.11Å; P68-Q72 PolarHBondContact O-NE2 2.9Å
69	A	95.7	Very high	90	Very high	54 Å²	54	53.4 Å²	53.4	45%	0.446	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31	-175.1	0	0	0	0	0	114.1	K57 M63	K57-A69 VanDerWaalsContact CB-O 3.23Å; K57-A69 WeakPolarHBondContact CB-O 3.25Å; M63-A69 HydrophobicContact CE-CB 3.97Å; M63-A69 HydrophobicContact SD-CB 3.55Å; M63-A69 VanDerWaalsContact SD-CB 3.55Å
70	N	95.4	Very high	87.5	Confident	105 Å²	105	55.5 Å²	55.5	56%	0.561	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.7	178.2	66	-45.5	0	0	0	114	W55 P68	W55-N70 WeakPolarHBondContact CB-O 3.36Å; P68-N70 PolarHBondContact O-N 3.45Å; P68-N70 VanDerWaalsContact O-N 3.1Å
71	K	97.8	Very high	85.1	Confident	41 Å²	41	54.1 Å²	54.1	18%	0.178	30%	0.297	C	S	.	.			trans	-135.9	56.5	-176.3	-59.1	-169.5	-176.5	-178.9	0	111.3	V40 D44 W55 P68	V40-K71 HydrophobicContact CG1-CD 3.61Å; V40-K71 HydrophobicContact CG2-CB 4.48Å; D44-K71 WeakPolarHBondContact OD1-CE 3.23Å; D44-K71 IonicContact OD1-NZ 2.82Å; D44-K71 PolarHBondContact OD1-NZ 3.18Å; D44-K71 IonicContact OD2-NZ 2.75Å; D44-K71 PolarHBondContact OD2-NZ 3.49Å; W55-K71 HydrophobicContact CB-CG 4.32Å; W55-K71 HydrophobicContact CD2-CB 3.65Å; W55-K71 HydrophobicContact CD2-CD 4.2Å; W55-K71 HydrophobicContact CD2-CG 3.76Å; W55-K71 HydrophobicContact CE3-CB 3.59Å; W55-K71 HydrophobicContact CE3-CG 4.22Å; W55-K71 HydrophobicContact CG-CB 4.19Å; W55-K71 HydrophobicContact CG-CD 4.35Å; W55-K71 HydrophobicContact CG-CG 3.82Å; W55-K71 HydrophobicContact CH2-CB 4.18Å; W55-K71 HydrophobicContact CZ2-CB 4.22Å; W55-K71 HydrophobicContact CZ2-CD 4.24Å; W55-K71 HydrophobicContact CZ3-CB 3.86Å; W55-K71 WeakPolarHBondContact CZ3-O 3.49Å; P68-K71 HydrophobicContact CB-CB 4.13Å; P68-K71 HydrophobicContact CB-CG 4.46Å; P68-K71 HydrophobicContact CG-CB 4.33Å; P68-K71 CarbonylContact O-C 3.41Å; P68-K71 PolarHBondContact O-N 3.11Å
72	Q	97.8	Very high	82.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-84.3	-42.3	-177.9	-66.5	-69.3	-56.3	0	0	111.5	A56 K57 M63 K64 L67 P68 H280	A56-Q72 WeakPolarHBondContact O-CB 3.26Å; A56-Q72 PolarHBondContact O-N 3.42Å; A56-Q72 VanDerWaalsContact O-N 3.08Å; K57-Q72 WeakPolarHBondContact O-CG 2.87Å; M63-Q72 HydrophobicContact CG-CG 4.15Å; K64-Q72 PolarHBondContact O-NE2 3.1Å; L67-Q72 PolarHBondContact O-NE2 2.77Å; L67-Q72 VanDerWaalsContact O-NE2 3.1Å; P68-Q72 PolarHBondContact O-NE2 2.9Å; Q72-H280 PolarHBondContact OE1-CE1 3.27Å
73	F	97.9	Very high	79.9	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	162.4	176.5	65.5	-84.5	0	0	0	110.3	A56 I75 T229 I230 T231 H280 L281	A56-F73 HydrophobicContact CB-CD1 4.31Å; A56-F73 HydrophobicContact CB-CD2 4.12Å; A56-F73 HydrophobicContact CB-CE1 3.79Å; A56-F73 HydrophobicContact CB-CE2 3.58Å; A56-F73 HydrophobicContact CB-CG 4.45Å; A56-F73 HydrophobicContact CB-CZ 3.38Å; A56-F73 PolarHBondContact N-O 2.92Å; A56-F73 PolarHBondContact O-N 3.34Å; F73-I75 HydrophobicContact CD2-CB 4.41Å; F73-I75 HydrophobicContact CE2-CB 4.07Å; F73-I75 HydrophobicContact CE2-CD1 4.42Å; F73-T229 HydrophobicContact CD2-CG2 3.98Å; F73-T229 HydrophobicContact CE2-CG2 3.87Å; F73-I230 WeakPolarHBondContact CA-O 3.14Å; F73-I230 VanDerWaalsContact CB-O 3.25Å; F73-I230 WeakPolarHBondContact CB-O 3.5Å; F73-T231 HydrophobicContact CB-CG2 3.9Å; F73-H280 HydrophobicContact CD1-CB 3.6Å; F73-H280 AromaticContact CD1-CD2 3.78Å; F73-H280 AromaticContact CD1-CG 3.76Å; F73-H280 HydrophobicContact CE1-CB 3.65Å; F73-L281 HydrophobicContact CE1-CD2 4.41Å; F73-L281 HydrophobicContact CE1-CG 4.41Å; F73-L281 HydrophobicContact CE2-CD1 4.14Å; F73-L281 HydrophobicContact CZ-CD1 3.99Å; F73-L281 HydrophobicContact CZ-CD2 3.86Å; F73-L281 HydrophobicContact CZ-CG 3.91Å
74	L	97.6	Very high	77.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144.3	173.6	-67.4	147	0	0	0	109.5	F39 L46 T47 W53 Q54 W55 T229 I230 L318	F39-L74 HydrophobicContact CZ-CD1 4.46Å; L46-L74 HydrophobicContact CD2-CD1 4.25Å; T47-L74 HydrophobicContact CG2-CD2 3.47Å; T47-L74 VanDerWaalsContact CG2-CD2 3.47Å; W53-L74 HydrophobicContact CE3-CB 3.92Å; W53-L74 HydrophobicContact CZ3-CB 4.29Å; Q54-L74 CarbonylContact O-C 3.48Å; Q54-L74 WeakPolarHBondContact O-CA 3.4Å; W55-L74 HydrophobicContact CD2-CD2 3.79Å; W55-L74 HydrophobicContact CD2-CG 4.13Å; W55-L74 HydrophobicContact CE3-CD2 4.11Å; W55-L74 HydrophobicContact CE3-CG 3.93Å; W55-L74 HydrophobicContact CG-CD2 4.15Å; W55-L74 HydrophobicContact CH2-CD1 4.3Å; W55-L74 HydrophobicContact CH2-CG 4.2Å; W55-L74 HydrophobicContact CZ2-CD2 4.31Å; W55-L74 HydrophobicContact CZ2-CG 4.38Å; W55-L74 HydrophobicContact CZ3-CD1 4.48Å; W55-L74 HydrophobicContact CZ3-CG 3.97Å; L74-T229 CarbonylContact O-C 3.48Å; L74-T229 WeakPolarHBondContact O-CA 3.08Å; L74-T229 WeakPolarHBondContact O-CB 3.42Å; L74-I230 HydrophobicContact CB-CB 4.28Å; L74-I230 PolarHBondContact N-O 3.1Å; L74-I230 PolarHBondContact O-N 2.81Å; L74-L318 HydrophobicContact CD1-CD1 3.34Å
75	I	94.9	Very high	74.4	Confident	23 Å²	23	74.6 Å²	74.6	12%	0.118	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.6	176.8	-173.7	162.8	0	0	0	110.1	W53 Q54 A56 F73 R77 L228 T229	W53-I75 WeakPolarHBondContact CA-O 3.14Å; Q54-I75 PolarHBondContact N-O 2.94Å; Q54-I75 PolarHBondContact O-N 2.87Å; A56-I75 HydrophobicContact CB-CG2 4.01Å; F73-I75 HydrophobicContact CD2-CB 4.41Å; F73-I75 HydrophobicContact CE2-CB 4.07Å; F73-I75 HydrophobicContact CE2-CD1 4.42Å; I75-R77 HydrophobicContact CD1-CG 4.06Å; I75-R77 HydrophobicContact CG1-CG 4.05Å; I75-L228 WeakPolarHBondContact CA-O 3.42Å; I75-T229 HydrophobicContact CB-CG2 4.04Å; I75-T229 HydrophobicContact CD1-CG2 3.9Å; I75-T229 HydrophobicContact CG1-CG2 3.8Å
76	T	91.8	Very high	71.6	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.7	164.1	-175.1	0	0	0	0	109.5	T52 W53 V99 L228	T52-T76 PolarHBondContact O-OG1 2.82Å; W53-T76 HydrophobicContact CD2-CG2 3.89Å; W53-T76 HydrophobicContact CE3-CG2 3.9Å; W53-T76 HydrophobicContact CH2-CG2 3.52Å; W53-T76 HydrophobicContact CZ2-CG2 3.46Å; W53-T76 VanDerWaalsContact CZ2-CG2 3.46Å; W53-T76 HydrophobicContact CZ3-CG2 3.73Å; T76-V99 HydrophobicContact CG2-CG2 3.99Å; T76-L228 HydrophobicContact CG2-CB 3.76Å; T76-L228 HydrophobicContact CG2-CD1 4.11Å; T76-L228 HydrophobicContact CG2-CG 4.26Å; T76-L228 PolarHBondContact N-O 2.75Å; T76-L228 PolarHBondContact O-N 3.24Å; T76-L228 VanDerWaalsContact O-N 3.16Å
77	R	82.8	Confident	68.7	Low	99 Å²	99	83.9 Å²	83.9	37%	0.374	42%	0.421	S	S	.	.			trans	-128	111.2	169.4	-58.5	-177	168.2	145.5	5.1	103.5	I75 G79 L97 D227	I75-R77 HydrophobicContact CD1-CG 4.06Å; I75-R77 HydrophobicContact CG1-CG 4.05Å; R77-G79 VanDerWaalsContact C-N 3.3Å; R77-G79 PolarHBondContact O-N 2.7Å; R77-L97 CarbonylContact C-O 3.52Å; R77-D227 HydrophobicContact CG-CB 4.35Å; R77-D227 WeakPolarHBondContact CG-OD1 3.47Å; R77-D227 IonicContact CZ-OD2 3.19Å; R77-D227 IonicContact NE-OD1 3Å; R77-D227 IonicContact NE-OD2 3.76Å; R77-D227 PolarHBondContact NE-OD2 3.15Å; R77-D227 IonicContact NH2-OD2 3.47Å
78	N	56.3	Low	66	Low	64 Å²	64	90.1 Å²	90.1	34%	0.342	46%	0.46	S	S	.	.	S	Bend	trans	-66.4	82.3	-172.7	-175.3	14.5	0	0	0	113.6	L97 V99 P100	N78-L97 CarbonylContact C-O 3.59Å; N78-L97 WeakPolarHBondContact CA-O 3.47Å; N78-L97 PolarHBondContact N-O 2.93Å; N78-L97 CarbonylContact O-C 3.42Å; N78-L97 VanDerWaalsContact O-CA 3.25Å; N78-L97 WeakPolarHBondContact O-CA 3.43Å; N78-L97 WeakPolarHBondContact O-CB 3.2Å; N78-V99 HydrophobicContact CB-CB 4.42Å; N78-V99 HydrophobicContact CB-CG2 4.16Å; N78-P100 VanDerWaalsContact ND2-CD 3.25Å; N78-P100 WeakPolarHBondContact ND2-CD 3.36Å
79	G	43.7	Very low	63	Low	19 Å²	19	95.6 Å²	95.6	20%	0.196	49%	0.485	C	S	.	.			trans	-149.6	27.7	175.9	0	0	0	0	0	113.6	R77 L97	R77-G79 VanDerWaalsContact C-N 3.3Å; R77-G79 PolarHBondContact O-N 2.7Å; G79-L97 PolarHBondContact N-O 3.45Å
80	Y	40.3	Very low	60.3	Low	106 Å²	106	101.5 Å²	101.5	42%	0.416	50%	0.504	S	S	.	.			trans	-112.7	106.1	176	-77.1	-74.4	0	0	0	112.7	Q54 F94	Q54-Y80 VanDerWaalsContact NE2-CD2 3.3Å; Q54-Y80 PolarHBondContact OE1-OH 3.36Å; Y80-F94 HydrophobicContact CE1-CE1 4.41Å
81	N	41.1	Very low	57.2	Low	104 Å²	104	102.4 Å²	102.4	56%	0.556	51%	0.513	S	S	*	.			trans	72.7	75.4	146.4	-53.2	-33.4	0	0	0	120.8
82	K	38.7	Very low	54.1	Low	215 Å²	215	111.2 Å²	111.2	94%	0.935	55%	0.545	S	S	*	.	S	Bend	trans	-89.8	25.7	137.9	-158.4	-179	178.7	173.8	0	112.2
83	L	34.6	Very low	51.1	Low	156 Å²	156	116.9 Å²	116.9	82%	0.817	58%	0.579	S	S	*	*			trans	-144.4	69.3	-179.4	-146.1	78.2	0	0	0	112.1
84	M	38.8	Very low	48	Very low	170 Å²	170	122.9 Å²	122.9	84%	0.837	61%	0.605	S	S	*	*			trans	-135.5	72.3	155.5	-165.3	177.3	178.8	0	0	109.2
85	L	33.1	Very low	45.2	Very low	163 Å²	163	125.8 Å²	125.8	85%	0.853	63%	0.626	S	S	*	*	S	Bend	trans	176.1	88.8	148.3	-99.9	148	0	0	0	108.4
86	L	35.8	Very low	43.1	Very low	167 Å²	167	127.3 Å²	127.3	87%	0.874	64%	0.639	S	S	*	*			trans	177.3	122.8	133.1	-91.4	154.1	0	0	0	109.1	T88	L86-T88 PolarHBondContact O-N 2.91Å
87	F	33.8	Very low	41.5	Very low	204 Å²	204	132 Å²	132	90%	0.895	66%	0.663	S	S	*	*			trans	-45	115.7	166.7	-85.6	-116.3	0	0	0	110.5
88	T	42	Very low	40.8	Very low	142 Å²	142	127.7 Å²	127.7	87%	0.871	65%	0.648	S	S	*	*			trans	178.7	144.4	134.4	26	0	0	0	0	110.9	L86 Q90	L86-T88 PolarHBondContact O-N 2.91Å; T88-Q90 PolarHBondContact O-N 3.41Å
89	L	32.7	Very low	41.8	Very low	168 Å²	168	124.7 Å²	124.7	88%	0.88	63%	0.632	S	S	*	*			trans	-59.6	100.9	-177	-169.3	86.8	0	0	0	112
90	Q	39	Very low	43.6	Very low	179 Å²	179	124.2 Å²	124.2	84%	0.836	63%	0.625	S	S	*	*			trans	-160.1	112	156.8	-144.7	114.1	-22.9	0	0	111.9	T88	T88-Q90 PolarHBondContact O-N 3.41Å
91	V	31.6	Very low	45.5	Very low	124 Å²	124	119.2 Å²	119.2	75%	0.752	61%	0.606	S	S	*	*			trans	39.6	100.8	154.4	-171	0	0	0	0	117.8	V93	V91-V93 HydrophobicContact CG1-CG2 4.15Å; V91-V93 PolarHBondContact O-N 2.68Å
92	R	32.5	Very low	47.2	Very low	226 Å²	226	119.8 Å²	119.8	85%	0.853	60%	0.601	S	S	*	*			trans	-75.7	101.7	163.6	-75.4	-178.2	178.2	140.6	-1.8	110.4	F94	R92-F94 HydrophobicContact CB-CD2 4.14Å; R92-F94 HydrophobicContact CG-CD2 4.11Å; R92-F94 HydrophobicContact CG-CE2 4.19Å
93	V	33.4	Very low	49.1	Very low	119 Å²	119	114.7 Å²	114.7	72%	0.721	58%	0.58	S	S	*	*			trans	-98.6	89.3	150.9	-178.7	0	0	0	0	106.2	V91 S95	V91-V93 HydrophobicContact CG1-CG2 4.15Å; V91-V93 PolarHBondContact O-N 2.68Å; V93-S95 PolarHBondContact O-N 2.84Å; V93-S95 VanDerWaalsContact O-N 3.1Å
94	F	33.6	Very low	51.2	Low	129 Å²	129	108.1 Å²	108.1	57%	0.566	55%	0.545	S	S	*	.			trans	-80.8	77.5	169.2	-99.9	-93.6	0	0	0	107.8	Y80 R92 S96	Y80-F94 HydrophobicContact CE1-CE1 4.41Å; R92-F94 HydrophobicContact CB-CD2 4.14Å; R92-F94 HydrophobicContact CG-CD2 4.11Å; R92-F94 HydrophobicContact CG-CE2 4.19Å; F94-S96 PolarHBondContact O-N 2.6Å
95	S	38.1	Very low	53	Low	62 Å²	62	100.1 Å²	100.1	43%	0.434	51%	0.505	S	S	.	.			trans	-73.3	115.8	154.7	59.2	0	0	0	0	105.9	V93 L97	V93-S95 PolarHBondContact O-N 2.84Å; V93-S95 VanDerWaalsContact O-N 3.1Å; S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 WeakPolarHBondContact O-CD1 3.11Å; S95-L97 PolarHBondContact O-N 2.93Å; S95-L97 WeakPolarHBondContact OG-CD1 3.44Å
96	S	50.8	Low	54.8	Low	55 Å²	55	97.5 Å²	97.5	39%	0.385	49%	0.491	S	S	.	.			trans	-56.9	97.5	162.8	51.8	0	0	0	0	107	F94 K252	F94-S96 PolarHBondContact O-N 2.6Å; S96-K252 PolarHBondContact O-NZ 2.85Å
97	L	59.1	Low	56	Low	102 Å²	102	92 Å²	92	53%	0.534	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-62.9	148	167.9	-86.6	87.9	0	0	0	106.7	R77 N78 G79 S95	R77-L97 CarbonylContact C-O 3.52Å; N78-L97 CarbonylContact C-O 3.59Å; N78-L97 WeakPolarHBondContact CA-O 3.47Å; N78-L97 PolarHBondContact N-O 2.93Å; N78-L97 CarbonylContact O-C 3.42Å; N78-L97 VanDerWaalsContact O-CA 3.25Å; N78-L97 WeakPolarHBondContact O-CA 3.43Å; N78-L97 WeakPolarHBondContact O-CB 3.2Å; G79-L97 PolarHBondContact N-O 3.45Å; S95-L97 VanDerWaalsContact C-N 3.27Å; S95-L97 WeakPolarHBondContact O-CD1 3.11Å; S95-L97 PolarHBondContact O-N 2.93Å; S95-L97 WeakPolarHBondContact OG-CD1 3.44Å
98	S	68.7	Low	57.4	Low	7 Å²	7	85.3 Å²	85.3	5%	0.049	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-102.3	162.3	-178.2	-63.3	0	0	0	0	108	D227	S98-D227 WeakPolarHBondContact CB-OD1 3.34Å; S98-D227 PolarHBondContact OG-OD1 3.05Å
99	V	77.5	Confident	57.9	Low	1 Å²	1	86.5 Å²	86.5	1%	0.006	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	122	-175	-177.8	0	0	0	0	111.6	T76 N78 T225 Y226 L228 I332 E333	T76-V99 HydrophobicContact CG2-CG2 3.99Å; N78-V99 HydrophobicContact CB-CB 4.42Å; N78-V99 HydrophobicContact CB-CG2 4.16Å; V99-T225 CarbonylContact O-C 3.38Å; V99-T225 WeakPolarHBondContact O-CA 3.47Å; V99-Y226 WeakPolarHBondContact CA-O 3.22Å; V99-Y226 VanDerWaalsContact CB-O 3.23Å; V99-Y226 WeakPolarHBondContact CB-O 3.37Å; V99-Y226 WeakPolarHBondContact CG2-O 3.37Å; V99-Y226 PolarHBondContact N-O 3.49Å; V99-Y226 PolarHBondContact O-N 3.24Å; V99-L228 HydrophobicContact CG2-CD1 4.29Å; V99-L228 HydrophobicContact CG2-CG 4.33Å; V99-I332 HydrophobicContact CB-CG2 4.4Å; V99-I332 HydrophobicContact CG1-CG2 3.69Å; V99-E333 VanDerWaalsContact CG1-O 3.24Å; V99-E333 WeakPolarHBondContact CG1-O 3.49Å
100	P	80.8	Confident	59	Low	10 Å²	10	82.8 Å²	82.8	7%	0.065	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	151.1	-174.7	29.3	-34.2	0	0	0	113.4	N78 Y102 R224 E333	N78-P100 VanDerWaalsContact ND2-CD 3.25Å; N78-P100 WeakPolarHBondContact ND2-CD 3.36Å; P100-Y102 HydrophobicContact CB-CE1 3.94Å; P100-Y102 HydrophobicContact CB-CE2 3.86Å; P100-Y102 WeakPolarHBondContact CB-OH 3.42Å; P100-Y102 HydrophobicContact CG-CE2 4.01Å; P100-R224 CarbonylContact C-O 3.43Å; P100-E333 HydrophobicContact CG-CB 4.34Å; P100-E333 PolarHBondContact O-N 3.08Å
101	C	79.2	Confident	59.3	Low	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	97.6	173.7	-176.8	0	0	0	0	108.8	Q103 R224 Y226 D263 T331 I332	C101-Q103 PolarHBondContact SG-O 3.3Å; C101-R224 HydrophobicContact CB-CB 4.27Å; C101-R224 PolarHBondContact N-O 2.96Å; C101-R224 PolarHBondContact O-N 3.24Å; C101-Y226 HydrophobicContact CB-CD2 3.93Å; C101-Y226 HydrophobicContact CB-CE2 3.89Å; C101-D263 PolarHBondContact SG-OD1 3.02Å; C101-D263 VanDerWaalsContact SG-OD1 3.34Å; C101-T331 WeakPolarHBondContact CA-O 3.49Å; C101-T331 PolarHBondContact SG-O 3.23Å; C101-T331 PolarHBondContact SG-OG1 2.84Å; C101-I332 HydrophobicContact CB-CG1 4.28Å
102	Y	78	Confident	60	Low	117 Å²	117	75.4 Å²	75.4	46%	0.459	40%	0.396	S	S	.	.			trans	-85.4	-17.7	-170.7	-57.5	-68.3	0	0	0	114.2	P100 T223 E333	P100-Y102 HydrophobicContact CB-CE1 3.94Å; P100-Y102 HydrophobicContact CB-CE2 3.86Å; P100-Y102 WeakPolarHBondContact CB-OH 3.42Å; P100-Y102 HydrophobicContact CG-CE2 4.01Å; Y102-T223 HydrophobicContact CD1-CG2 3.61Å; Y102-T223 HydrophobicContact CE1-CG2 3.72Å; Y102-E333 WeakPolarHBondContact CD2-OE1 3.37Å; Y102-E333 WeakPolarHBondContact CE2-OE2 3.14Å
103	Q	79	Confident	60.4	Low	107 Å²	107	71.5 Å²	71.5	50%	0.5	39%	0.392	S	S	.	.	S	Bend	trans	-138.9	161.9	-176.3	-62	-171.7	-32.5	0	0	110.5	C101 W221 T331	C101-Q103 PolarHBondContact SG-O 3.3Å; Q103-W221 HydrophobicContact CB-CE3 4.19Å; Q103-W221 HydrophobicContact CB-CZ3 4.25Å; Q103-W221 HydrophobicContact CG-CE3 3.84Å; Q103-W221 HydrophobicContact CG-CZ3 3.89Å; Q103-T331 HydrophobicContact CB-CG2 4.36Å; Q103-T331 WeakPolarHBondContact O-CB 3.48Å; Q103-T331 WeakPolarHBondContact O-CG2 3.28Å; Q103-T331 PolarHBondContact O-OG1 3.17Å
104	R	77.5	Confident	61	Low	18 Å²	18	72.2 Å²	72.2	7%	0.068	39%	0.387	C	S	.	.			trans	-93.3	137.1	177.1	-58.6	-53.3	175.5	-117.2	-15.3	110	I106 A107 K222 R224 E262 D263	R104-I106 HydrophobicContact CB-CG2 3.82Å; R104-I106 PolarHBondContact O-N 2.91Å; R104-A107 WeakPolarHBondContact O-CB 3.42Å; R104-A107 PolarHBondContact O-N 2.92Å; R104-A107 VanDerWaalsContact O-N 3.11Å; R104-K222 PolarHBondContact NH2-O 3.44Å; R104-R224 VanDerWaalsContact NE-NH1 3.12Å; R104-E262 CarbonylContact C-O 2.81Å; R104-E262 WeakPolarHBondContact CA-O 3.4Å; R104-E262 HydrophobicContact CB-CB 4.5Å; R104-E262 VanDerWaalsContact CB-O 3.29Å; R104-E262 WeakPolarHBondContact CB-O 3.41Å; R104-E262 HydrophobicContact CG-CB 4.31Å; R104-E262 IonicContact NE-OE2 3.54Å; R104-D263 WeakPolarHBondContact CD-OD1 3.39Å; R104-D263 IonicContact CZ-OD1 3.99Å; R104-D263 IonicContact NE-OD1 2.76Å; R104-D263 PolarHBondContact NE-OD1 2.83Å; R104-D263 IonicContact NH1-OD1 3.47Å; R104-D263 PolarHBondContact NH1-OD1 2.59Å; R104-D263 IonicContact NH1-OD2 3.47Å
105	S	75.9	Confident	61.7	Low	2 Å²	2	69.3 Å²	69.3	1%	0.014	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-59.8	-33.1	176.3	60.1	0	0	0	0	111.3	A107 I108 E262 D263 F264	S105-A107 PolarHBondContact O-N 2.96Å; S105-A107 VanDerWaalsContact O-N 3.13Å; S105-I108 WeakPolarHBondContact O-CB 3.48Å; S105-I108 PolarHBondContact O-N 3.49Å; S105-E262 PolarHBondContact N-O 2.97Å; S105-E262 PolarHBondContact OG-O 3.12Å; S105-D263 VanDerWaalsContact OG-C 3.24Å; S105-F264 WeakPolarHBondContact CB-O 3.42Å; S105-F264 PolarHBondContact OG-N 3.49Å; S105-F264 VanDerWaalsContact OG-N 3.13Å; S105-F264 PolarHBondContact OG-O 2.94Å
106	I	72.5	Confident	62.2	Low	109 Å²	109	72.4 Å²	72.4	56%	0.559	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.2	179	-159.9	171	0	0	0	113.1	R104 Q266	R104-I106 HydrophobicContact CB-CG2 3.82Å; R104-I106 PolarHBondContact O-N 2.91Å; I106-Q266 HydrophobicContact CG1-CG 4.39Å
107	A	59.5	Low	62.3	Low	51 Å²	51	73.4 Å²	73.4	42%	0.421	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-85.5	-11.2	175.8	0	0	0	0	0	112.9	R104 S105 L109 W221	R104-A107 WeakPolarHBondContact O-CB 3.42Å; R104-A107 PolarHBondContact O-N 2.92Å; R104-A107 VanDerWaalsContact O-N 3.11Å; S105-A107 PolarHBondContact O-N 2.96Å; S105-A107 VanDerWaalsContact O-N 3.13Å; A107-L109 PolarHBondContact O-N 2.81Å; A107-W221 HydrophobicContact CB-CH2 3.75Å; A107-W221 HydrophobicContact CB-CZ2 3.86Å
108	I	63.8	Low	61.9	Low	63 Å²	63	69.5 Å²	69.5	32%	0.323	36%	0.364	S	S	.	.			trans	-83.2	109.9	177.5	-57.4	178.5	0	0	0	108.1	S105 Y110 P330 T331	S105-I108 WeakPolarHBondContact O-CB 3.48Å; S105-I108 PolarHBondContact O-N 3.49Å; I108-Y110 HydrophobicContact CB-CD2 4.48Å; I108-Y110 HydrophobicContact CB-CE2 4.14Å; I108-Y110 HydrophobicContact CG2-CD2 4.08Å; I108-Y110 HydrophobicContact CG2-CE2 3.86Å; I108-Y110 PolarHBondContact O-N 3.23Å; I108-P330 HydrophobicContact CD1-CB 4.21Å; I108-P330 HydrophobicContact CD1-CG 4.15Å; I108-T331 HydrophobicContact CD1-CG2 3.61Å; I108-T331 HydrophobicContact CG1-CG2 4.5Å
109	L	52.9	Low	61	Low	168 Å²	168	77.4 Å²	77.4	88%	0.88	40%	0.4	S	S	*	.			trans	-72.5	103	167.8	-79.6	156.5	0	0	0	108.8	A107	A107-L109 PolarHBondContact O-N 2.81Å
110	Y	54.7	Low	59.8	Low	90 Å²	90	78.9 Å²	78.9	35%	0.353	41%	0.411	S	S	.	.			trans	-71.2	133.8	171.5	-78.8	-88.6	0	0	0	110.5	I108 P330	I108-Y110 HydrophobicContact CB-CD2 4.48Å; I108-Y110 HydrophobicContact CB-CE2 4.14Å; I108-Y110 HydrophobicContact CG2-CD2 4.08Å; I108-Y110 HydrophobicContact CG2-CE2 3.86Å; I108-Y110 PolarHBondContact O-N 3.23Å; Y110-P330 WeakPolarHBondContact OH-CB 3.11Å; Y110-P330 WeakPolarHBondContact OH-CG 3.44Å
111	S	46.2	Very low	58.5	Low	75 Å²	75	86.6 Å²	86.6	52%	0.524	45%	0.452	S	S	.	.			trans	-85.3	114.9	168.8	-67.8	0	0	0	0	108.3	N113 Q114	S111-N113 PolarHBondContact O-N 3.37Å; S111-Q114 PolarHBondContact O-N 3.26Å
112	A	45.6	Very low	56.9	Low	72 Å²	72	92 Å²	92	60%	0.595	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-52.8	-13.9	-179.8	0	0	0	0	0	114.8	Q114 E115	A112-Q114 PolarHBondContact O-N 3.36Å; A112-E115 PolarHBondContact O-N 3.32Å
113	N	41.7	Very low	55.8	Low	144 Å²	144	90.4 Å²	90.4	77%	0.77	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-72	-7.9	-177.9	-46.8	6.6	0	0	0	113.7	S111	S111-N113 PolarHBondContact O-N 3.37Å
114	Q	45.2	Very low	54.3	Low	134 Å²	134	93.6 Å²	93.6	63%	0.626	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-102.8	3.3	-179.8	-67.1	-174.9	-7.2	0	0	113.5	S111 A112	S111-Q114 PolarHBondContact O-N 3.26Å; A112-Q114 PolarHBondContact O-N 3.36Å
115	E	48.5	Very low	53.1	Low	68 Å²	68	97.9 Å²	97.9	32%	0.318	53%	0.531	S	S	.	.			trans	-110.8	124.7	-170.3	-64.4	-175.9	-172.9	0	0	110.5	A112 V128	A112-E115 PolarHBondContact O-N 3.32Å; E115-V128 HydrophobicContact CB-CG1 3.52Å; E115-V128 HydrophobicContact CG-CG1 3.58Å
116	K	49.9	Very low	51.7	Low	127 Å²	127	98.5 Å²	98.5	55%	0.552	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.7	162.1	-174.4	178.5	179.7	-173.8	0	107.8	I118 V128 D129	K116-I118 PolarHBondContact O-N 2.99Å; K116-V128 CarbonylContact O-C 3.36Å; K116-D129 HydrophobicContact CB-CB 4.33Å; K116-D129 PolarHBondContact N-O 3.35Å; K116-D129 WeakPolarHBondContact O-CA 3.34Å; K116-D129 VanDerWaalsContact O-CB 3.26Å; K116-D129 WeakPolarHBondContact O-CB 3.39Å; K116-D129 PolarHBondContact O-N 2.86Å
117	V	51.3	Low	50.7	Low	76 Å²	76	94.4 Å²	94.4	46%	0.461	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.8	173.8	-177.6	0	0	0	0	108.6	E119	V117-E119 PolarHBondContact O-N 3.2Å
118	I	52.4	Low	50.3	Low	20 Å²	20	92.6 Å²	92.6	10%	0.103	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	107.8	165.7	-62.1	155.7	0	0	0	105.7	K116 G126 W127 D129	K116-I118 PolarHBondContact O-N 2.99Å; I118-G126 WeakPolarHBondContact O-CA 3.41Å; I118-W127 WeakPolarHBondContact CA-O 3.44Å; I118-W127 HydrophobicContact CB-CB 4.3Å; I118-W127 VanDerWaalsContact CB-O 3.28Å; I118-W127 WeakPolarHBondContact CB-O 3.22Å; I118-W127 HydrophobicContact CD1-CB 4.06Å; I118-W127 HydrophobicContact CD1-CD2 4.07Å; I118-W127 HydrophobicContact CD1-CE3 3.26Å; I118-W127 HydrophobicContact CD1-CG 4.45Å; I118-W127 HydrophobicContact CD1-CZ3 3.98Å; I118-W127 WeakPolarHBondContact CG1-O 3.43Å; I118-W127 PolarHBondContact N-O 2.92Å; I118-W127 PolarHBondContact O-N 2.91Å; I118-D129 HydrophobicContact CD1-CB 3.95Å; I118-D129 HydrophobicContact CG1-CB 3.75Å
119	E	48.5	Very low	49.8	Very low	174 Å²	174	91.5 Å²	91.5	81%	0.813	49%	0.494	S	S	*	.			trans	-72.5	124.3	164.5	-64	176.3	-179.3	0	0	107.5	V117	V117-E119 PolarHBondContact O-N 3.2Å
120	S	52.2	Low	49.8	Very low	32 Å²	32	85.6 Å²	85.6	22%	0.224	46%	0.464	C	S	.	.			trans	-96.7	142.9	162.7	47.4	0	0	0	0	108.9	D122	S120-D122 PolarHBondContact O-N 3.22Å; S120-D122 VanDerWaalsContact O-N 3.09Å; S120-D122 PolarHBondContact OG-O 3.19Å
121	D	53.1	Low	49.4	Very low	172 Å²	172	82.8 Å²	82.8	92%	0.92	45%	0.454	S	S	*	.	S	Bend	trans	-64	-12.8	178.4	-74.5	-27.8	0	0	0	113
122	D	47.5	Very low	49.6	Very low	113 Å²	113	84.8 Å²	84.8	60%	0.604	46%	0.455	S	S	*	.	S	Bend	trans	-122.1	114.8	177.3	-61.4	-50	0	0	0	110.7	S120	S120-D122 PolarHBondContact O-N 3.22Å; S120-D122 VanDerWaalsContact O-N 3.09Å; S120-D122 PolarHBondContact OG-O 3.19Å
123	S	53.5	Low	49.5	Very low	83 Å²	83	87 Å²	87	58%	0.58	45%	0.452	S	S	*	.	S	Bend	trans	72.5	143.8	172.8	70.7	0	0	0	0	118.3	D125	S123-D125 PolarHBondContact O-N 3.14Å
124	D	48.9	Very low	49.7	Very low	175 Å²	175	81.6 Å²	81.6	94%	0.936	43%	0.427	S	S	*	.	S	Bend	trans	-57.4	14.7	-176.8	-87.2	-36.3	0	0	0	116.4	G126	D124-G126 PolarHBondContact O-N 3Å; D124-G126 VanDerWaalsContact O-N 3.16Å
125	D	52	Low	49.7	Very low	108 Å²	108	76.1 Å²	76.1	58%	0.578	40%	0.403	S	S	*	.			trans	-94.1	68.8	-172.5	-78.3	-36	0	0	0	112.6	S123 W127	S123-D125 PolarHBondContact O-N 3.14Å; D125-W127 PolarHBondContact O-N 3.31Å
126	G	45.9	Very low	49.2	Very low	14 Å²	14	77.5 Å²	77.5	14%	0.144	42%	0.42	C	S	.	.			trans	-59.9	114.5	177.1	0	0	0	0	0	113.4	I118 D124 K271	I118-G126 WeakPolarHBondContact O-CA 3.41Å; D124-G126 PolarHBondContact O-N 3Å; D124-G126 VanDerWaalsContact O-N 3.16Å; G126-K271 PolarHBondContact O-NZ 3.16Å
127	W	50.6	Low	48.9	Very low	24 Å²	24	78.3 Å²	78.3	9%	0.091	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.1	174.3	-158.6	83.6	0	0	0	109.1	I118 D125 D129 R293 T297 F324	I118-W127 WeakPolarHBondContact CA-O 3.44Å; I118-W127 HydrophobicContact CB-CB 4.3Å; I118-W127 VanDerWaalsContact CB-O 3.28Å; I118-W127 WeakPolarHBondContact CB-O 3.22Å; I118-W127 HydrophobicContact CD1-CB 4.06Å; I118-W127 HydrophobicContact CD1-CD2 4.07Å; I118-W127 HydrophobicContact CD1-CE3 3.26Å; I118-W127 HydrophobicContact CD1-CG 4.45Å; I118-W127 HydrophobicContact CD1-CZ3 3.98Å; I118-W127 WeakPolarHBondContact CG1-O 3.43Å; I118-W127 PolarHBondContact N-O 2.92Å; I118-W127 PolarHBondContact O-N 2.91Å; D125-W127 PolarHBondContact O-N 3.31Å; W127-D129 PolarHBondContact O-N 3.49Å; W127-R293 HydrophobicContact CZ2-CB 4.07Å; W127-T297 HydrophobicContact CH2-CG2 3.62Å; W127-T297 WeakPolarHBondContact CH2-OG1 3.27Å; W127-T297 HydrophobicContact CZ3-CG2 3.75Å; W127-T297 WeakPolarHBondContact CZ3-OG1 3.28Å; W127-F324 AromaticContact CH2-CD2 3.81Å; W127-F324 HydrophobicContact CH2-CD2 3.81Å; W127-F324 AromaticContact CH2-CE2 3.05Å; W127-F324 HydrophobicContact CH2-CE2 3.05Å; W127-F324 AromaticContact CH2-CZ 3.48Å; W127-F324 HydrophobicContact CH2-CZ 3.48Å; W127-F324 VanDerWaalsContact CH2-CZ 3.48Å; W127-F324 HydrophobicContact CZ2-CD2 4.48Å; W127-F324 HydrophobicContact CZ2-CE1 4.46Å; W127-F324 AromaticContact CZ2-CE2 3.37Å; W127-F324 HydrophobicContact CZ2-CE2 3.37Å; W127-F324 AromaticContact CZ2-CZ 3.34Å; W127-F324 HydrophobicContact CZ2-CZ 3.34Å; W127-F324 AromaticContact CZ3-CE2 3.98Å; W127-F324 HydrophobicContact CZ3-CE2 3.98Å
128	V	51.9	Low	48.4	Very low	13 Å²	13	75.5 Å²	75.5	8%	0.079	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	112.3	-177.1	-177	0	0	0	0	109.7	E115 K116 T130	E115-V128 HydrophobicContact CB-CG1 3.52Å; E115-V128 HydrophobicContact CG-CG1 3.58Å; K116-V128 CarbonylContact O-C 3.36Å; V128-T130 HydrophobicContact CG1-CG2 3.98Å; V128-T130 PolarHBondContact O-N 3.34Å
129	D	53.9	Low	47.9	Very low	40 Å²	40	77.2 Å²	77.2	21%	0.214	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	100.7	162.2	176.7	11.4	0	0	0	109	K116 I118 W127 H131	K116-D129 HydrophobicContact CB-CB 4.33Å; K116-D129 PolarHBondContact N-O 3.35Å; K116-D129 WeakPolarHBondContact O-CA 3.34Å; K116-D129 VanDerWaalsContact O-CB 3.26Å; K116-D129 WeakPolarHBondContact O-CB 3.39Å; K116-D129 PolarHBondContact O-N 2.86Å; I118-D129 HydrophobicContact CD1-CB 3.95Å; I118-D129 HydrophobicContact CG1-CB 3.75Å; W127-D129 PolarHBondContact O-N 3.49Å; D129-H131 PolarHBondContact O-N 2.87Å; D129-H131 WeakPolarHBondContact OD1-CA 3.45Å; D129-H131 WeakPolarHBondContact OD1-CB 3.16Å; D129-H131 PolarHBondContact OD1-N 3.36Å
130	T	51.3	Low	47.6	Very low	43 Å²	43	69.8 Å²	69.8	26%	0.264	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	6.5	176.8	55.7	0	0	0	0	112.9	V128 A327	V128-T130 HydrophobicContact CG1-CG2 3.98Å; V128-T130 PolarHBondContact O-N 3.34Å; T130-A327 HydrophobicContact CG2-CB 4.06Å
131	H	48.1	Very low	47.1	Very low	31 Å²	31	71.5 Å²	71.5	14%	0.144	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	11.1	-168.6	-75.2	-49.1	0	0	0	115.7	D129 F133 A134 L301	D129-H131 PolarHBondContact O-N 2.87Å; D129-H131 WeakPolarHBondContact OD1-CA 3.45Å; D129-H131 WeakPolarHBondContact OD1-CB 3.16Å; D129-H131 PolarHBondContact OD1-N 3.36Å; H131-F133 PolarHBondContact O-N 2.95Å; H131-A134 HydrophobicContact CB-CB 3.91Å; H131-A134 VanDerWaalsContact ND1-CB 3.27Å; H131-A134 WeakPolarHBondContact ND1-CB 3.28Å; H131-A134 PolarHBondContact O-N 2.98Å; H131-L301 HydrophobicContact CB-CD2 4Å
132	H	50.1	Low	46.4	Very low	117 Å²	117	65.7 Å²	65.7	54%	0.542	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-29.3	173.4	-178.9	34.6	0	0	0	113.3
133	F	43	Very low	45.7	Very low	120 Å²	120	61.9 Å²	61.9	53%	0.526	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-7.6	179.5	-59.5	-74.4	0	0	0	116.2	H131 V135 S136	H131-F133 PolarHBondContact O-N 2.95Å; F133-V135 PolarHBondContact O-N 3.3Å; F133-V135 VanDerWaalsContact O-N 3.1Å; F133-S136 PolarHBondContact O-N 3.44Å; F133-S136 PolarHBondContact O-OG 3.41Å
134	A	45.3	Very low	44.8	Very low	30 Å²	30	62.3 Å²	62.3	25%	0.248	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-66.5	-20.3	-166.9	0	0	0	0	0	114.4	H131 S136 Q137	H131-A134 HydrophobicContact CB-CB 3.91Å; H131-A134 VanDerWaalsContact ND1-CB 3.27Å; H131-A134 WeakPolarHBondContact ND1-CB 3.28Å; H131-A134 PolarHBondContact O-N 2.98Å; A134-S136 PolarHBondContact O-N 3.42Å; A134-Q137 PolarHBondContact O-N 3.44Å; A134-Q137 VanDerWaalsContact O-N 3.16Å
135	V	44.9	Very low	44	Very low	19 Å²	19	63.4 Å²	63.4	12%	0.115	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-65.1	-29.4	178.4	-161.4	0	0	0	0	112.7	F133 Q137 F138 T304 N308 K310	F133-V135 PolarHBondContact O-N 3.3Å; F133-V135 VanDerWaalsContact O-N 3.1Å; V135-Q137 PolarHBondContact O-N 3.33Å; V135-F138 PolarHBondContact O-N 2.96Å; V135-T304 HydrophobicContact CB-CG2 4.48Å; V135-T304 HydrophobicContact CG2-CG2 3.16Å; V135-N308 HydrophobicContact CG1-CB 3.55Å; V135-N308 WeakPolarHBondContact CG1-ND2 3.18Å; V135-K310 PolarHBondContact O-NZ 3.49Å
136	S	39.7	Very low	43.2	Very low	97 Å²	97	64 Å²	64	68%	0.678	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-67.8	-24.6	178.2	63.4	0	0	0	0	112.5	F133 A134	F133-S136 PolarHBondContact O-N 3.44Å; F133-S136 PolarHBondContact O-OG 3.41Å; A134-S136 PolarHBondContact O-N 3.42Å
137	Q	42.4	Very low	42.7	Very low	143 Å²	143	67.7 Å²	67.7	67%	0.668	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-106.3	13.2	-177.1	-62.1	-174.7	2.7	0	0	113.4	A134 V135 F342	A134-Q137 PolarHBondContact O-N 3.44Å; A134-Q137 VanDerWaalsContact O-N 3.16Å; V135-Q137 PolarHBondContact O-N 3.33Å; Q137-F342 WeakPolarHBondContact O-CD2 3.33Å; Q137-F342 WeakPolarHBondContact O-CE2 3.47Å
138	F	40.5	Very low	41.9	Very low	18 Å²	18	74.2 Å²	74.2	8%	0.079	39%	0.394	C	S	.	.			trans	-112.6	92.7	178.8	-155.8	-76.6	0	0	0	110.8	V135 A140 F305 K310 V320	V135-F138 PolarHBondContact O-N 2.96Å; F138-A140 HydrophobicContact CD1-CB 4.07Å; F138-A140 HydrophobicContact CE1-CB 3.88Å; F138-F305 HydrophobicContact CB-CE1 4.08Å; F138-F305 HydrophobicContact CB-CZ 3.79Å; F138-F305 HydrophobicContact CD1-CD1 4.11Å; F138-F305 AromaticContact CD1-CE1 3.12Å; F138-F305 HydrophobicContact CD1-CE1 3.12Å; F138-F305 AromaticContact CD1-CZ 3.59Å; F138-F305 HydrophobicContact CD1-CZ 3.59Å; F138-F305 AromaticContact CD2-CE1 3.83Å; F138-F305 HydrophobicContact CD2-CE1 3.83Å; F138-F305 AromaticContact CD2-CZ 3.4Å; F138-F305 HydrophobicContact CD2-CZ 3.4Å; F138-F305 HydrophobicContact CE1-CD1 4.37Å; F138-F305 AromaticContact CE1-CE1 3.33Å; F138-F305 HydrophobicContact CE1-CE1 3.33Å; F138-F305 AromaticContact CE1-CZ 3.96Å; F138-F305 HydrophobicContact CE1-CZ 3.96Å; F138-F305 AromaticContact CE2-CE1 3.99Å; F138-F305 HydrophobicContact CE2-CE1 3.99Å; F138-F305 AromaticContact CE2-CZ 3.77Å; F138-F305 HydrophobicContact CE2-CZ 3.77Å; F138-F305 AromaticContact CG-CE1 3.38Å; F138-F305 HydrophobicContact CG-CE1 3.38Å; F138-F305 HydrophobicContact CG-CE2 4.41Å; F138-F305 AromaticContact CG-CZ 3.28Å; F138-F305 HydrophobicContact CG-CZ 3.28Å; F138-F305 AromaticContact CZ-CE1 3.74Å; F138-F305 HydrophobicContact CZ-CE1 3.74Å; F138-F305 HydrophobicContact CZ-CZ 4.02Å; F138-K310 WeakPolarHBondContact O-CD 3.19Å; F138-K310 WeakPolarHBondContact O-CE 3.2Å; F138-K310 PolarHBondContact O-NZ 2.96Å; F138-V320 HydrophobicContact CE2-CG2 3.75Å; F138-V320 HydrophobicContact CZ-CG2 3.97Å
139	D	42.1	Very low	41.1	Very low	56 Å²	56	81 Å²	81	30%	0.299	43%	0.43	S	S	.	.			trans	-97.1	89.3	171.1	-179.9	18.9	0	0	0	109.9	S141 Q142 F342	D139-S141 PolarHBondContact O-N 3.26Å; D139-S141 WeakPolarHBondContact OD1-CB 3.46Å; D139-S141 PolarHBondContact OD1-N 2.85Å; D139-S141 PolarHBondContact OD1-OG 2.93Å; D139-S141 PolarHBondContact OD2-OG 3.33Å; D139-Q142 PolarHBondContact O-N 3.07Å; D139-Q142 PolarHBondContact OD2-NE2 3.27Å; D139-F342 HydrophobicContact CB-CB 3.92Å; D139-F342 HydrophobicContact CB-CD1 3.4Å; D139-F342 VanDerWaalsContact CB-CD1 3.4Å; D139-F342 HydrophobicContact CB-CE1 4.09Å; D139-F342 HydrophobicContact CB-CG 3.85Å; D139-F342 VanDerWaalsContact N-CE1 3.32Å; D139-F342 WeakPolarHBondContact O-CD1 3.39Å; D139-F342 WeakPolarHBondContact O-CE1 3.48Å
140	A	43.4	Very low	40.2	Very low	18 Å²	18	83.7 Å²	83.7	15%	0.149	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.2	-179.5	0	0	0	0	0	113.4	F138 Q142	F138-A140 HydrophobicContact CD1-CB 4.07Å; F138-A140 HydrophobicContact CE1-CB 3.88Å; A140-Q142 VanDerWaalsContact C-N 3.29Å; A140-Q142 PolarHBondContact O-N 2.95Å
141	S	40.4	Very low	39.3	Very low	67 Å²	67	90.2 Å²	90.2	47%	0.469	48%	0.477	S	S	.	.	H	α-helix	trans	-73.4	-15.2	-178.1	75.1	0	0	0	0	114.5	D139	D139-S141 PolarHBondContact O-N 3.26Å; D139-S141 WeakPolarHBondContact OD1-CB 3.46Å; D139-S141 PolarHBondContact OD1-N 2.85Å; D139-S141 PolarHBondContact OD1-OG 2.93Å; D139-S141 PolarHBondContact OD2-OG 3.33Å
142	Q	38.2	Very low	38.3	Very low	50 Å²	50	92.7 Å²	92.7	23%	0.234	51%	0.511	C	S	.	.	H	α-helix	trans	-89.9	-23.8	-177.2	-63.1	-167.8	38.3	0	0	114.2	D139 A140 T144 R145 T341 F342	D139-Q142 PolarHBondContact O-N 3.07Å; D139-Q142 PolarHBondContact OD2-NE2 3.27Å; A140-Q142 VanDerWaalsContact C-N 3.29Å; A140-Q142 PolarHBondContact O-N 2.95Å; Q142-T144 PolarHBondContact O-N 2.88Å; Q142-R145 PolarHBondContact O-N 2.84Å; Q142-T341 PolarHBondContact OE1-O 3.48Å; Q142-F342 HydrophobicContact CB-CD1 4.45Å; Q142-F342 PolarHBondContact NE2-OXT 2.84Å
143	A	33.6	Very low	37.5	Very low	33 Å²	33	93.3 Å²	93.3	27%	0.273	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-31.4	173.3	0	0	0	0	0	112
144	T	34.9	Very low	36.9	Very low	93 Å²	93	95.3 Å²	95.3	57%	0.571	54%	0.538	S	S	*	.	H	α-helix	trans	-78.5	-27	178	-46.3	0	0	0	0	112.8	Q142 V146 M147	Q142-T144 PolarHBondContact O-N 2.88Å; T144-V146 PolarHBondContact O-N 3.49Å; T144-M147 PolarHBondContact O-N 3.38Å
145	R	32.7	Very low	36.2	Very low	198 Å²	198	100.9 Å²	100.9	75%	0.747	56%	0.564	S	S	*	*	H	α-helix	trans	-74.6	-22.2	-173.6	-115.2	176.8	173.2	170.8	-0.8	114.4	Q142	Q142-R145 PolarHBondContact O-N 2.84Å
146	V	34.6	Very low	35.8	Very low	119 Å²	119	106.7 Å²	106.7	72%	0.721	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-20.5	177.8	-177	0	0	0	0	111.9	T144	T144-V146 PolarHBondContact O-N 3.49Å
147	M	35.1	Very low	35.5	Very low	92 Å²	92	107.8 Å²	107.8	45%	0.453	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	-12.6	-179	-62.9	-154.7	-160.6	0	0	114.7	L48 T144	L48-M147 HydrophobicContact CD2-CE 3.79Å; L48-M147 HydrophobicContact CD2-SD 4.27Å; T144-M147 PolarHBondContact O-N 3.38Å
148	M	34	Very low	35.2	Very low	162 Å²	162	106.9 Å²	106.9	80%	0.798	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-9.1	-174.8	-134.3	167.2	169.6	0	0	114.2
149	N	33.7	Very low	34.9	Very low	156 Å²	156	116.2 Å²	116.2	83%	0.834	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	4.2	-175.9	-85	9.4	0	0	0	115
150	S	36	Very low	34.1	Very low	96 Å²	96	119.8 Å²	119.8	67%	0.671	66%	0.655	S	S	*	*	S	Bend	trans	-130.8	-5	-176.5	-127.4	0	0	0	0	116.7
151	F	31.9	Very low	33.5	Very low	180 Å²	180	126 Å²	126	79%	0.789	69%	0.691	S	S	*	*			trans	-136.9	94.4	174.1	-77.6	-87.6	0	0	0	110.1	V153	F151-V153 PolarHBondContact O-N 3.27Å
152	G	26.5	Very low	33	Very low	83 Å²	83	128 Å²	128	86%	0.856	71%	0.705	S	S	*	*			trans	-74.6	104.9	164.3	0	0	0	0	0	108.8
153	V	33.3	Very low	32.8	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	74%	0.735	S	S	*	*			trans	-142.2	123.3	165.2	-175.3	0	0	0	0	108.5	F151	F151-V153 PolarHBondContact O-N 3.27Å
154	D	31.1	Very low	32.5	Very low	163 Å²	163	135.4 Å²	135.4	87%	0.872	76%	0.756	S	S	*	*			trans	-71	144	-171.3	-67.4	-46.7	0	0	0	114
155	D	31	Very low	32.7	Very low	147 Å²	147	137.9 Å²	137.9	79%	0.786	77%	0.77	S	S	*	*			trans	-74.2	119.6	170.6	177.9	29.3	0	0	0	111.2
156	N	35.7	Very low	32.8	Very low	140 Å²	140	133.8 Å²	133.8	75%	0.749	77%	0.767	S	S	*	*			trans	171.8	117.2	147.5	-98.8	-43.9	0	0	0	109.6
157	T	34.7	Very low	32.8	Very low	121 Å²	121	136.1 Å²	136.1	74%	0.742	78%	0.776	S	S	*	*				166.2	104.7	123.7	-70.6	0	0	0	0	112.4
158	L	35.4	Very low	32.8	Very low	123 Å²	123	138.5 Å²	138.5	64%	0.644	79%	0.79	S	S	*	*			trans	58.2	119.2	132.2	-83.1	71.2	0	0	0	122.8
159	R	33.4	Very low	33	Very low	215 Å²	215	139.2 Å²	139.2	81%	0.811	79%	0.791	S	S	*	*				77.4	106.8	116.1	-69	178.4	176.5	-175.8	-8.8	120.7
160	T	26.6	Very low	33.3	Very low	130 Å²	130	137 Å²	137	80%	0.798	79%	0.786	S	S	*	*				25.3	115.1	117.2	-46.1	0	0	0	0	118.2
161	T	31.3	Very low	33.5	Very low	148 Å²	148	140.3 Å²	140.3	91%	0.908	79%	0.79	S	S	*	*			trans	-145	130.9	134.7	39.7	0	0	0	0	110.3
162	S	29.5	Very low	33.6	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	79%	0.792	S	S	*	*			trans	-90.1	138.3	174.2	170.3	0	0	0	0	109
163	S	33.1	Very low	34.2	Very low	122 Å²	122	138.5 Å²	138.5	85%	0.853	79%	0.787	S	S	*	*			trans	-157.8	128.2	152	-156.6	0	0	0	0	111.6
164	T	28.7	Very low	34.6	Very low	117 Å²	117	137 Å²	137	72%	0.718	79%	0.788	S	S	*	*			trans	-79.2	135.3	-177.2	-41.5	0	0	0	0	111.1
165	V	37.4	Very low	34.9	Very low	144 Å²	144	135 Å²	135	87%	0.873	78%	0.781	S	S	*	*			trans	-142.3	124.2	149.5	-165	0	0	0	0	108.6
166	V	35.9	Very low	35.7	Very low	113 Å²	113	132.7 Å²	132.7	69%	0.685	77%	0.769	S	S	*	*			trans	-79.3	137.1	176.6	-118.8	0	0	0	0	109.3
167	D	34.9	Very low	36.4	Very low	168 Å²	168	128.7 Å²	128.7	90%	0.898	75%	0.747	S	S	*	*			trans	-155.3	122.8	138	-130.6	-11.1	0	0	0	110.1
168	D	34.6	Very low	37.4	Very low	142 Å²	142	127.4 Å²	127.4	76%	0.759	74%	0.735	S	S	*	*			trans	-80.8	126.2	-178.1	-75.1	-64.9	0	0	0	110.5
169	E	38.8	Very low	37.9	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.822	73%	0.732	S	S	*	*			trans	-135.9	126.4	156.9	-89	-78.9	140.3	0	0	107.7	E171	E169-E171 PolarHBondContact O-N 3.32Å
170	P	40.5	Very low	38.5	Very low	110 Å²	110	124.3 Å²	124.3	71%	0.714	72%	0.719	S	S	*	*			trans	-69.8	124.2	-174.2	27.5	-32.2	0	0	0	111.1	T172	P170-T172 PolarHBondContact O-N 2.9Å
171	E	38.9	Very low	39.6	Very low	165 Å²	165	124 Å²	124	77%	0.771	71%	0.707	S	S	*	*			trans	-53	106.1	171.4	-61.8	-174.4	140.8	0	0	110.8	E169 A173	E169-E171 PolarHBondContact O-N 3.32Å; E171-A173 PolarHBondContact O-N 3.46Å
172	T	34.2	Very low	40.5	Very low	135 Å²	135	123.6 Å²	123.6	83%	0.828	69%	0.694	S	S	*	*			trans	-74.4	111.2	164.7	57.7	0	0	0	0	107.7	P170 A174	P170-T172 PolarHBondContact O-N 2.9Å; T172-A174 PolarHBondContact O-N 3.36Å
173	A	38.5	Very low	41	Very low	91 Å²	91	124 Å²	124	75%	0.752	68%	0.684	S	S	*	*			trans	-45.6	125.9	176.8	0	0	0	0	0	111.2	E171 V175	E171-A173 PolarHBondContact O-N 3.46Å; A173-V175 PolarHBondContact O-N 3.42Å
174	A	42	Very low	41.3	Very low	97 Å²	97	120.9 Å²	120.9	80%	0.802	67%	0.671	S	S	*	*			trans	-54.6	122.4	172.8	0	0	0	0	0	108.9	T172 D176	T172-A174 PolarHBondContact O-N 3.36Å; A174-D176 PolarHBondContact O-N 3.33Å
175	V	38.1	Very low	41.6	Very low	120 Å²	120	123.7 Å²	123.7	73%	0.727	67%	0.674	S	S	*	*			trans	-60.8	123.6	176.4	176.3	0	0	0	0	108.1	A173 M177	A173-V175 PolarHBondContact O-N 3.42Å; V175-M177 PolarHBondContact O-N 3.07Å
176	D	48.7	Very low	41.4	Very low	99 Å²	99	122.8 Å²	122.8	53%	0.529	67%	0.671	S	S	.	*			trans	-61.6	97.4	170.5	179.8	-4	0	0	0	109.2	A174 D178 R179	A174-D176 PolarHBondContact O-N 3.33Å; D176-D178 VanDerWaalsContact C-N 3.25Å; D176-D178 WeakPolarHBondContact OD1-CA 3.13Å; D176-D178 VanDerWaalsContact OD1-CB 3.28Å; D176-D178 WeakPolarHBondContact OD1-CB 3.36Å; D176-D178 PolarHBondContact OD1-N 2.96Å; D176-R179 WeakPolarHBondContact O-CB 3.37Å; D176-R179 PolarHBondContact O-N 2.93Å; D176-R179 PolarHBondContact OD1-N 3.16Å
177	M	50.2	Low	41.6	Very low	56 Å²	56	123.9 Å²	123.9	28%	0.276	68%	0.677	S	S	.	*	H	α-helix	trans	-75.5	-14.8	177.8	-76.6	-72.4	-68.6	0	0	111.9	V175 R179 F180 F181 Y235	V175-M177 PolarHBondContact O-N 3.07Å; M177-R179 PolarHBondContact O-N 3.5Å; M177-F180 HydrophobicContact CE-CB 4.46Å; M177-F180 HydrophobicContact CE-CD1 3.77Å; M177-F180 HydrophobicContact CE-CE1 4.39Å; M177-F180 HydrophobicContact CE-CG 4.32Å; M177-F180 CarbonylContact O-C 3.59Å; M177-F180 WeakPolarHBondContact O-CA 3.31Å; M177-F180 WeakPolarHBondContact O-CB 3.42Å; M177-F180 PolarHBondContact O-N 2.8Å; M177-F180 HydrophobicContact SD-CB 4.03Å; M177-F180 HydrophobicContact SD-CD1 4.26Å; M177-F180 HydrophobicContact SD-CG 4.22Å; M177-F181 HydrophobicContact CE-CE2 4.06Å; M177-F181 VanDerWaalsContact O-CD2 3.22Å; M177-F181 WeakPolarHBondContact O-CD2 3.35Å; M177-F181 PolarHBondContact O-N 3.47Å; M177-Y235 WeakPolarHBondContact CB-OH 3.37Å
178	D	55.7	Low	41.8	Very low	94 Å²	94	121 Å²	121	50%	0.503	67%	0.671	S	S	.	*	H	α-helix	trans	-65.9	-33.7	173.1	-63.8	-27.8	0	0	0	109.6	D176 F181 Q182	D176-D178 VanDerWaalsContact C-N 3.25Å; D176-D178 WeakPolarHBondContact OD1-CA 3.13Å; D176-D178 VanDerWaalsContact OD1-CB 3.28Å; D176-D178 WeakPolarHBondContact OD1-CB 3.36Å; D176-D178 PolarHBondContact OD1-N 2.96Å; D178-F181 PolarHBondContact O-N 3.24Å; D178-Q182 WeakPolarHBondContact O-CB 3.35Å; D178-Q182 PolarHBondContact O-N 2.97Å
179	R	45.4	Very low	41.7	Very low	152 Å²	152	121.5 Å²	121.5	57%	0.574	67%	0.673	S	S	*	*	H	α-helix	trans	-63.9	-36.2	167	-170.4	172.7	178.8	172.2	2.2	113.4	D176 M177 E183	D176-R179 WeakPolarHBondContact O-CB 3.37Å; D176-R179 PolarHBondContact O-N 2.93Å; D176-R179 PolarHBondContact OD1-N 3.16Å; M177-R179 PolarHBondContact O-N 3.5Å; R179-E183 HydrophobicContact CG-CG 4.23Å; R179-E183 IonicContact CZ-OE1 2.68Å; R179-E183 IonicContact NE-OE1 3.41Å; R179-E183 PolarHBondContact NE-OE1 3.45Å; R179-E183 IonicContact NH2-OE1 2.6Å; R179-E183 PolarHBondContact NH2-OE1 2.91Å; R179-E183 VanDerWaalsContact O-CB 3.28Å; R179-E183 WeakPolarHBondContact O-CB 3.4Å; R179-E183 WeakPolarHBondContact O-CG 3.23Å; R179-E183 PolarHBondContact O-N 3.41Å
180	F	45	Very low	41.7	Very low	121 Å²	121	120.2 Å²	120.2	53%	0.531	67%	0.672	S	S	.	*	H	α-helix	trans	-71	-29.8	177.1	-176	-98.2	0	0	0	112.8	M177	M177-F180 HydrophobicContact CE-CB 4.46Å; M177-F180 HydrophobicContact CE-CD1 3.77Å; M177-F180 HydrophobicContact CE-CE1 4.39Å; M177-F180 HydrophobicContact CE-CG 4.32Å; M177-F180 CarbonylContact O-C 3.59Å; M177-F180 WeakPolarHBondContact O-CA 3.31Å; M177-F180 WeakPolarHBondContact O-CB 3.42Å; M177-F180 PolarHBondContact O-N 2.8Å; M177-F180 HydrophobicContact SD-CB 4.03Å; M177-F180 HydrophobicContact SD-CD1 4.26Å; M177-F180 HydrophobicContact SD-CG 4.22Å
181	F	49.5	Very low	41.7	Very low	124 Å²	124	122.9 Å²	122.9	54%	0.544	68%	0.68	S	S	.	*	H	α-helix	trans	-83.8	-27.9	174.5	-77	-74	0	0	0	113.3	M177 D178	M177-F181 HydrophobicContact CE-CE2 4.06Å; M177-F181 VanDerWaalsContact O-CD2 3.22Å; M177-F181 WeakPolarHBondContact O-CD2 3.35Å; M177-F181 PolarHBondContact O-N 3.47Å; D178-F181 PolarHBondContact O-N 3.24Å
182	Q	50.4	Low	41.7	Very low	140 Å²	140	118.5 Å²	118.5	65%	0.654	67%	0.672	S	S	*	*	H	α-helix	trans	-78.5	-36.6	172.2	-82.6	177.9	-11.4	0	0	112.8	D178 G184	D178-Q182 WeakPolarHBondContact O-CB 3.35Å; D178-Q182 PolarHBondContact O-N 2.97Å; Q182-G184 PolarHBondContact O-N 3.21Å
183	E	41.2	Very low	42.1	Very low	119 Å²	119	119.4 Å²	119.4	56%	0.556	67%	0.672	S	S	*	*	S	Bend	trans	-82.4	66.2	171.5	-64.7	-172.3	-169.3	0	0	109.8	R179 F185	R179-E183 HydrophobicContact CG-CG 4.23Å; R179-E183 IonicContact CZ-OE1 2.68Å; R179-E183 IonicContact NE-OE1 3.41Å; R179-E183 PolarHBondContact NE-OE1 3.45Å; R179-E183 IonicContact NH2-OE1 2.6Å; R179-E183 PolarHBondContact NH2-OE1 2.91Å; R179-E183 VanDerWaalsContact O-CB 3.28Å; R179-E183 WeakPolarHBondContact O-CB 3.4Å; R179-E183 WeakPolarHBondContact O-CG 3.23Å; R179-E183 PolarHBondContact O-N 3.41Å; E183-F185 PolarHBondContact O-N 3.4Å
184	G	38.2	Very low	42.3	Very low	56 Å²	56	124 Å²	124	58%	0.577	68%	0.677	S	S	*	*			trans	-48.1	138.5	172.1	0	0	0	0	0	111.5	Q182	Q182-G184 PolarHBondContact O-N 3.21Å
185	F	34.9	Very low	42.1	Very low	176 Å²	176	127.2 Å²	127.2	77%	0.772	68%	0.676	S	S	*	*			trans	-36.3	123.1	-179.1	-97.6	-97.6	0	0	0	112.2	E183 V187	E183-F185 PolarHBondContact O-N 3.4Å; F185-V187 VanDerWaalsContact C-N 3.35Å; F185-V187 WeakPolarHBondContact O-CG2 3.37Å; F185-V187 PolarHBondContact O-N 3.05Å
186	P	34.7	Very low	42.3	Very low	125 Å²	125	129.4 Å²	129.4	81%	0.812	68%	0.684	S	S	*	*			trans	-67.9	96.6	174.7	26	-30.5	0	0	0	108.4	S188	P186-S188 PolarHBondContact O-N 2.94Å
187	V	38.4	Very low	41.7	Very low	136 Å²	136	132.1 Å²	132.1	82%	0.824	70%	0.698	S	S	*	*			trans	-80.6	105.8	166.1	-146.5	0	0	0	0	105.5	F185 D189	F185-V187 VanDerWaalsContact C-N 3.35Å; F185-V187 WeakPolarHBondContact O-CG2 3.37Å; F185-V187 PolarHBondContact O-N 3.05Å; V187-D189 PolarHBondContact O-N 3.49Å
188	S	39.4	Very low	41.6	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	72%	0.722	S	S	*	*			trans	-52.3	132.1	176	46.5	0	0	0	0	111.5	P186 D190	P186-S188 PolarHBondContact O-N 2.94Å; S188-D190 PolarHBondContact O-N 3.34Å
189	D	32.7	Very low	40.8	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	73%	0.733	S	S	*	*			trans	-37	128.3	163.3	-98.8	-34	0	0	0	111.8	V187	V187-D189 PolarHBondContact O-N 3.49Å
190	D	40.1	Very low	40.6	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	74%	0.741	S	S	*	*			trans	173.9	79.9	143.5	-87.6	-21.5	0	0	0	109.5	S188	S188-D190 PolarHBondContact O-N 3.34Å
191	N	39.1	Very low	40.3	Very low	166 Å²	166	139.1 Å²	139.1	89%	0.888	76%	0.758	S	S	*	*				173.5	131.3	120.5	-94.8	-58.8	0	0	0	112.8
192	A	39.7	Very low	39.7	Very low	72 Å²	72	135.9 Å²	135.9	60%	0.595	76%	0.76	S	S	*	*			trans	-79.6	165.5	178.2	0	0	0	0	0	113
193	N	41.9	Very low	38.9	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	77%	0.766	S	S	*	*			trans	80.5	125	167	-44.5	-35.8	0	0	0	112.6
194	Q	43.8	Very low	38.5	Very low	186 Å²	186	139 Å²	139	87%	0.869	78%	0.782	S	S	*	*			cis	-167.6	149.7	43.4	-163.5	162	30.4	0	0	111.1
195	E	37.8	Very low	38.2	Very low	165 Å²	165	147.7 Å²	147.7	77%	0.771	80%	0.797	S	S	*	*			trans	-52.3	147.1	179.5	-59.4	151.9	167.1	0	0	113.6
196	N	41.7	Very low	38.2	Very low	167 Å²	167	147.3 Å²	147.3	89%	0.893	80%	0.797	S	S	*	*			trans	-163.5	121.4	137	-85.5	-41.8	0	0	0	110.5
197	D	36.6	Very low	38.7	Very low	156 Å²	156	147.3 Å²	147.3	83%	0.834	80%	0.798	S	S	*	*			trans	-59	145.6	172	-58.9	-64.1	0	0	0	113.3
198	D	47.5	Very low	38.7	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	80%	0.796	S	S	*	*			trans	-151.3	114.9	137	-162.4	-13.1	0	0	0	111.3
199	P	39.1	Very low	38.5	Very low	113 Å²	113	146.5 Å²	146.5	73%	0.734	80%	0.799	S	S	*	*			trans	-92.9	113.6	170.7	34.1	-25.2	0	0	0	110.2
200	N	40.7	Very low	38.7	Very low	139 Å²	139	146.1 Å²	146.1	74%	0.743	80%	0.797	S	S	*	*			trans	-147	82.9	161.5	-151.1	-3.4	0	0	0	114.3	G202	N200-G202 PolarHBondContact O-N 2.88Å
201	I	38.2	Very low	38.4	Very low	172 Å²	172	145 Å²	145	88%	0.882	79%	0.79	S	S	*	*			trans	-67	104.4	149.2	-65	178	0	0	0	107
202	G	36.5	Very low	38.2	Very low	56 Å²	56	144.3 Å²	144.3	58%	0.577	79%	0.786	S	S	*	*			trans	-111.2	126.3	171	0	0	0	0	0	110.8	N200	N200-G202 PolarHBondContact O-N 2.88Å
203	P	34.6	Very low	38.1	Very low	120 Å²	120	146.5 Å²	146.5	78%	0.779	80%	0.797	S	S	*	*			trans	-77.2	152.1	-171.2	31.8	-33.5	0	0	0	112.3	R205	P203-R205 PolarHBondContact O-N 3.26Å
204	F	32.8	Very low	37.5	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.904	80%	0.8	S	S	*	*			trans	-39.1	117.4	169.6	-86.9	-95.4	0	0	0	112.2
205	R	32.7	Very low	37.2	Very low	237 Å²	237	141.7 Å²	141.7	89%	0.894	79%	0.787	S	S	*	*			trans	-104.6	100.5	173.5	-159.9	175.3	-171.7	177	2	108.6	P203	P203-R205 PolarHBondContact O-N 3.26Å
206	H	34.5	Very low	37.2	Very low	168 Å²	168	138.2 Å²	138.2	78%	0.778	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-61	132.2	163.3	-73.3	-81.4	0	0	0	109.5
207	P	44.8	Very low	37.5	Very low	126 Å²	126	133.3 Å²	133.3	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-77.4	125.1	165.2	-8.1	25.3	0	0	0	109.4
208	A	39.1	Very low	37.9	Very low	96 Å²	96	133.8 Å²	133.8	79%	0.793	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-67.2	148.3	169.1	0	0	0	0	0	111.1
209	T	34	Very low	38	Very low	131 Å²	131	133 Å²	133	80%	0.804	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-51.9	130.7	169.9	45.4	0	0	0	0	112.8
210	D	38.5	Very low	39	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	77%	0.773	S	S	*	*			trans	-162.9	117	143.9	-104.9	-22	0	0	0	112.7
211	N	33.1	Very low	40.1	Very low	125 Å²	125	131.8 Å²	131.8	67%	0.668	76%	0.756	S	S	*	*			trans	73.4	122.2	139.2	-64.5	-39.4	0	0	0	123.8
212	L	34.1	Very low	41.8	Very low	152 Å²	152	130 Å²	130	80%	0.796	74%	0.741	S	S	*	*			trans	66.7	98.1	137.5	-87.7	73.3	0	0	0	117.9
213	S	37.1	Very low	43.9	Very low	119 Å²	119	128.8 Å²	128.8	83%	0.832	72%	0.723	S	S	*	*				174.4	136.3	90.3	34.1	0	0	0	0	110.3	D215	S213-D215 PolarHBondContact O-N 2.8Å
214	S	31.3	Very low	46.4	Very low	126 Å²	126	123.7 Å²	123.7	88%	0.881	69%	0.688	S	S	*	*			trans	-71.2	104.1	-175.7	154.6	0	0	0	0	111
215	D	36.4	Very low	49	Very low	114 Å²	114	115.2 Å²	115.2	61%	0.61	65%	0.653	S	S	*	*			trans	-123.1	112	158.1	-158.3	15.3	0	0	0	109.8	S213 A217	S213-D215 PolarHBondContact O-N 2.8Å; D215-A217 PolarHBondContact O-N 2.9Å
216	G	39	Very low	51.8	Low	91 Å²	91	103.9 Å²	103.9	94%	0.938	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	30.9	-172.5	0	0	0	0	0	114.6
217	A	46.2	Very low	54.5	Low	65 Å²	65	96.4 Å²	96.4	54%	0.537	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.2	-3.7	-174.4	0	0	0	0	0	114.2	D215 N219	D215-A217 PolarHBondContact O-N 2.9Å; A217-N219 PolarHBondContact O-N 3.32Å
218	E	46.1	Very low	56.9	Low	165 Å²	165	90.4 Å²	90.4	77%	0.771	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	9.5	-160.4	-62.2	-161.1	171.6	0	0	117.4
219	N	50.1	Low	59.6	Low	129 Å²	129	85.9 Å²	85.9	69%	0.69	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	29.9	178	-136.3	9.8	0	0	0	114.5	A217	A217-N219 PolarHBondContact O-N 3.32Å
220	V	58.7	Low	62.7	Low	127 Å²	127	79.7 Å²	79.7	77%	0.77	46%	0.461	S	S	*	.			trans	-92.8	102.2	165.6	-175.1	0	0	0	0	107.7	K222	V220-K222 PolarHBondContact O-N 3.45Å
221	W	63.7	Low	65.5	Low	100 Å²	100	73 Å²	73	38%	0.379	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-64.7	134.4	172	-67.1	-54.7	0	0	0	110.1	Q103 A107 T223	Q103-W221 HydrophobicContact CB-CE3 4.19Å; Q103-W221 HydrophobicContact CB-CZ3 4.25Å; Q103-W221 HydrophobicContact CG-CE3 3.84Å; Q103-W221 HydrophobicContact CG-CZ3 3.89Å; A107-W221 HydrophobicContact CB-CH2 3.75Å; A107-W221 HydrophobicContact CB-CZ2 3.86Å; W221-T223 PolarHBondContact O-N 3.12Å
222	K	73.7	Confident	68.6	Low	134 Å²	134	67.4 Å²	67.4	58%	0.583	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-66.5	130.6	173.6	-64.4	-178.1	-178.6	178.5	0	109.9	R104 V220 R224 E248	R104-K222 PolarHBondContact NH2-O 3.44Å; V220-K222 PolarHBondContact O-N 3.45Å; K222-R224 PolarHBondContact O-N 3.27Å; K222-E248 WeakPolarHBondContact CA-OE2 3.38Å
223	T	80.8	Confident	71.6	Confident	31 Å²	31	61.1 Å²	61.1	19%	0.19	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68	123.6	179.7	-57.4	0	0	0	0	109.3	Y102 W221 E248	Y102-T223 HydrophobicContact CD1-CG2 3.61Å; Y102-T223 HydrophobicContact CE1-CG2 3.72Å; W221-T223 PolarHBondContact O-N 3.12Å; T223-E248 PolarHBondContact N-OE2 3.01Å; T223-E248 WeakPolarHBondContact O-CA 3.3Å; T223-E248 WeakPolarHBondContact O-CB 3.34Å; T223-E248 WeakPolarHBondContact O-CG 3.29Å; T223-E248 PolarHBondContact O-N 2.88Å
224	R	87.7	Confident	74.3	Confident	12 Å²	12	56.4 Å²	56.4	5%	0.045	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	159.5	170.5	-71.2	175.6	-178.9	159.7	5.3	109.8	P100 C101 R104 K222 Y226 Y246 L255 Q259 E262 D263	P100-R224 CarbonylContact C-O 3.43Å; C101-R224 HydrophobicContact CB-CB 4.27Å; C101-R224 PolarHBondContact N-O 2.96Å; C101-R224 PolarHBondContact O-N 3.24Å; R104-R224 VanDerWaalsContact NE-NH1 3.12Å; K222-R224 PolarHBondContact O-N 3.27Å; R224-Y226 HydrophobicContact CB-CE2 4.18Å; R224-Y246 WeakPolarHBondContact CA-O 3.44Å; R224-L255 HydrophobicContact CB-CD1 4.32Å; R224-L255 VanDerWaalsContact CD-CD1 3.47Å; R224-L255 HydrophobicContact CG-CD1 4.09Å; R224-L255 HydrophobicContact CG-CD2 4.15Å; R224-Q259 PolarHBondContact NH1-O 3.44Å; R224-E262 IonicContact CZ-OE2 3.64Å; R224-E262 IonicContact NH1-OE2 3.91Å; R224-E262 PolarHBondContact NH1-OE2 3.31Å; R224-E262 IonicContact NH2-OE1 2.7Å; R224-E262 IonicContact NH2-OE2 3.93Å; R224-E262 PolarHBondContact NH2-OE2 3.15Å; R224-D263 WeakPolarHBondContact CD-OD2 3.36Å; R224-D263 IonicContact CZ-OD2 2.8Å; R224-D263 IonicContact NE-OD2 2.8Å; R224-D263 VanDerWaalsContact NH1-CG 3.35Å; R224-D263 IonicContact NH1-OD1 3.75Å; R224-D263 PolarHBondContact NH1-OD1 3.03Å; R224-D263 IonicContact NH1-OD2 2.77Å; R224-D263 PolarHBondContact NH1-OD2 3.32Å
225	T	87.8	Confident	77.2	Confident	28 Å²	28	52.7 Å²	52.7	17%	0.172	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.8	173.5	64.5	0	0	0	0	110.9	V99 G245 Y246	V99-T225 CarbonylContact O-C 3.38Å; V99-T225 WeakPolarHBondContact O-CA 3.47Å; T225-G245 CarbonylContact O-C 3.57Å; T225-G245 VanDerWaalsContact O-CA 3.27Å; T225-G245 WeakPolarHBondContact O-CA 3.39Å; T225-Y246 PolarHBondContact N-O 3.31Å; T225-Y246 PolarHBondContact O-N 3.16Å
226	Y	91.6	Very high	80	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.5	-173.4	-79.6	-92.5	0	0	0	111.4	V99 C101 R224 L243 S244 G245 L255 M260 D263 F264 I332	V99-Y226 WeakPolarHBondContact CA-O 3.22Å; V99-Y226 VanDerWaalsContact CB-O 3.23Å; V99-Y226 WeakPolarHBondContact CB-O 3.37Å; V99-Y226 WeakPolarHBondContact CG2-O 3.37Å; V99-Y226 PolarHBondContact N-O 3.49Å; V99-Y226 PolarHBondContact O-N 3.24Å; C101-Y226 HydrophobicContact CB-CD2 3.93Å; C101-Y226 HydrophobicContact CB-CE2 3.89Å; R224-Y226 HydrophobicContact CB-CE2 4.18Å; Y226-L243 HydrophobicContact CD1-CB 4.25Å; Y226-L243 HydrophobicContact CD1-CD2 4.4Å; Y226-S244 CarbonylContact C-O 3.5Å; Y226-S244 WeakPolarHBondContact CA-O 3.43Å; Y226-G245 VanDerWaalsContact CD1-CA 3.43Å; Y226-G245 VanDerWaalsContact CE1-CA 3.48Å; Y226-L255 HydrophobicContact CE2-CD1 4.41Å; Y226-M260 HydrophobicContact CE1-CG 4.16Å; Y226-M260 HydrophobicContact CE1-SD 4.37Å; Y226-D263 HydrophobicContact CE2-CB 4.36Å; Y226-D263 WeakPolarHBondContact CE2-OD2 3.03Å; Y226-D263 WeakPolarHBondContact OH-CB 3.37Å; Y226-D263 PolarHBondContact OH-OD2 2.9Å; Y226-F264 HydrophobicContact CE1-CE1 4.36Å; Y226-I332 HydrophobicContact CD1-CD1 3.92Å; Y226-I332 HydrophobicContact CD2-CD1 3.76Å; Y226-I332 HydrophobicContact CD2-CG1 4.05Å; Y226-I332 HydrophobicContact CD2-CG2 4.39Å; Y226-I332 HydrophobicContact CE1-CD1 4Å; Y226-I332 HydrophobicContact CE2-CD1 3.84Å; Y226-I332 HydrophobicContact CE2-CG1 4.18Å; Y226-I332 HydrophobicContact CG-CD1 3.8Å; Y226-I332 HydrophobicContact CG-CG1 4.49Å; Y226-I332 HydrophobicContact CG-CG2 4.41Å
227	D	91.5	Very high	82.7	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.059	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.6	160.4	-74.4	4	0	0	0	107.7	R77 S98 S244 Y246	R77-D227 HydrophobicContact CG-CB 4.35Å; R77-D227 WeakPolarHBondContact CG-OD1 3.47Å; R77-D227 IonicContact CZ-OD2 3.19Å; R77-D227 IonicContact NE-OD1 3Å; R77-D227 IonicContact NE-OD2 3.76Å; R77-D227 PolarHBondContact NE-OD2 3.15Å; R77-D227 IonicContact NH2-OD2 3.47Å; S98-D227 WeakPolarHBondContact CB-OD1 3.34Å; S98-D227 PolarHBondContact OG-OD1 3.05Å; D227-S244 PolarHBondContact N-O 2.77Å; D227-S244 PolarHBondContact O-N 3Å; D227-Y246 HydrophobicContact CB-CE2 4.17Å; D227-Y246 PolarHBondContact OD2-OH 2.91Å
228	L	94.7	Very high	85.1	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.5	178.7	-49.5	177.2	0	0	0	109.8	W53 I75 T76 V99 M241 W242 L243 I332 Y334	W53-L228 HydrophobicContact CH2-CB 4.13Å; I75-L228 WeakPolarHBondContact CA-O 3.42Å; T76-L228 HydrophobicContact CG2-CB 3.76Å; T76-L228 HydrophobicContact CG2-CD1 4.11Å; T76-L228 HydrophobicContact CG2-CG 4.26Å; T76-L228 PolarHBondContact N-O 2.75Å; T76-L228 PolarHBondContact O-N 3.24Å; T76-L228 VanDerWaalsContact O-N 3.16Å; V99-L228 HydrophobicContact CG2-CD1 4.29Å; V99-L228 HydrophobicContact CG2-CG 4.33Å; L228-M241 HydrophobicContact CB-SD 4.12Å; L228-W242 WeakPolarHBondContact CA-O 3.32Å; L228-L243 HydrophobicContact CD2-CB 4.14Å; L228-L243 HydrophobicContact CD2-CD2 3.53Å; L228-L243 HydrophobicContact CD2-CG 3.62Å; L228-I332 HydrophobicContact CD1-CG2 4.17Å; L228-I332 HydrophobicContact CD2-CG2 4.44Å; L228-Y334 HydrophobicContact CD1-CD1 3.57Å; L228-Y334 HydrophobicContact CD1-CE1 4.43Å; L228-Y334 HydrophobicContact CD1-CG 3.66Å
229	T	96.3	Very high	87.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.8	173.1	63.9	0	0	0	0	111.7	F73 L74 I75 M241 W242 H278 L281	F73-T229 HydrophobicContact CD2-CG2 3.98Å; F73-T229 HydrophobicContact CE2-CG2 3.87Å; L74-T229 CarbonylContact O-C 3.48Å; L74-T229 WeakPolarHBondContact O-CA 3.08Å; L74-T229 WeakPolarHBondContact O-CB 3.42Å; I75-T229 HydrophobicContact CB-CG2 4.04Å; I75-T229 HydrophobicContact CD1-CG2 3.9Å; I75-T229 HydrophobicContact CG1-CG2 3.8Å; T229-M241 CarbonylContact O-C 3.59Å; T229-M241 WeakPolarHBondContact O-CA 3.28Å; T229-W242 PolarHBondContact N-O 3.48Å; T229-W242 PolarHBondContact O-N 3.46Å; T229-W242 WeakPolarHBondContact OG1-CB 3.32Å; T229-H278 PolarHBondContact OG1-CD2 3.18Å; T229-H278 VanDerWaalsContact OG1-CD2 3.27Å; T229-H278 PolarHBondContact OG1-NE2 2.81Å; T229-L281 HydrophobicContact CG2-CD1 4.45Å
230	I	97.9	Very high	89.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.9	172.9	-58.4	166.6	0	0	0	108.7	F39 L46 W53 F73 L74 P239 R240 M241 L318 F321 L322	F39-I230 HydrophobicContact CE2-CG2 3.95Å; F39-I230 HydrophobicContact CZ-CG2 4.35Å; L46-I230 HydrophobicContact CD2-CD1 4.33Å; W53-I230 HydrophobicContact CE3-CD1 4.29Å; W53-I230 HydrophobicContact CH2-CD1 3.58Å; W53-I230 HydrophobicContact CH2-CG1 3.79Å; W53-I230 HydrophobicContact CZ2-CD1 4.16Å; W53-I230 HydrophobicContact CZ3-CD1 3.66Å; W53-I230 HydrophobicContact CZ3-CG1 3.77Å; F73-I230 WeakPolarHBondContact CA-O 3.14Å; F73-I230 VanDerWaalsContact CB-O 3.25Å; F73-I230 WeakPolarHBondContact CB-O 3.5Å; L74-I230 HydrophobicContact CB-CB 4.28Å; L74-I230 PolarHBondContact N-O 3.1Å; L74-I230 PolarHBondContact O-N 2.81Å; I230-P239 HydrophobicContact CG2-CB 3.71Å; I230-R240 WeakPolarHBondContact CA-O 3.42Å; I230-M241 HydrophobicContact CD1-CE 4.01Å; I230-M241 HydrophobicContact CG1-CE 3.69Å; I230-M241 HydrophobicContact CG1-SD 3.87Å; I230-L318 HydrophobicContact CG2-CD2 4.15Å; I230-F321 HydrophobicContact CD1-CD1 4.43Å; I230-F321 HydrophobicContact CD1-CE1 4.28Å; I230-F321 HydrophobicContact CG1-CE1 4.25Å; I230-F321 HydrophobicContact CG2-CE1 4.26Å; I230-L322 HydrophobicContact CD1-CD2 3.83Å; I230-L322 HydrophobicContact CD1-CG 4.38Å
231	T	98	Very high	91.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	159.2	175.7	64.9	0	0	0	0	110.3	F73 P239 R240 W242 P279	F73-T231 HydrophobicContact CB-CG2 3.9Å; T231-P239 CarbonylContact O-C 3.55Å; T231-P239 WeakPolarHBondContact O-CA 3.46Å; T231-R240 PolarHBondContact N-O 3.41Å; T231-R240 PolarHBondContact O-N 2.83Å; T231-W242 PolarHBondContact OG1-NE1 3.2Å; T231-P279 HydrophobicContact CG2-CG 3.83Å
232	Y	98	Very high	93.2	Very high	8 Å²	8	21.1 Å²	21.1	3%	0.031	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.9	167.6	-179.6	-101.8	0	0	0	110.1	I34 P36 F39 Y66 K234	I34-Y232 HydrophobicContact CG1-CE2 4.15Å; I34-Y232 VanDerWaalsContact O-CE2 3.23Å; I34-Y232 WeakPolarHBondContact O-CE2 3.21Å; I34-Y232 PolarHBondContact O-OH 2.74Å; P36-Y232 HydrophobicContact CG-CD1 4.5Å; P36-Y232 HydrophobicContact CG-CE1 3.86Å; F39-Y232 HydrophobicContact CB-CD2 3.79Å; F39-Y232 HydrophobicContact CB-CE2 4.36Å; F39-Y232 HydrophobicContact CB-CG 4.48Å; F39-Y232 HydrophobicContact CD1-CD2 4.45Å; F39-Y232 HydrophobicContact CD1-CG 4.41Å; F39-Y232 HydrophobicContact CD2-CD2 4.22Å; F39-Y232 AromaticContact CG-CD2 3.9Å; F39-Y232 HydrophobicContact CG-CD2 3.9Å; F39-Y232 HydrophobicContact CG-CG 4.31Å; Y66-Y232 AromaticContact CE2-CD1 3.85Å; Y66-Y232 HydrophobicContact CE2-CD1 3.85Å; Y66-Y232 HydrophobicContact CE2-CE1 4.28Å; Y232-K234 HydrophobicContact CE1-CB 4.31Å; Y232-K234 PolarHBondContact O-N 2.87Å
233	D	96.4	Very high	94.2	Very high	21 Å²	21	14.8 Å²	14.8	11%	0.112	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	110.6	173.7	-165.9	-61.2	0	0	0	109	Y235 Y236 Q237 V238 R240 P291	D233-Y235 VanDerWaalsContact C-N 3.31Å; D233-Y235 PolarHBondContact O-N 2.61Å; D233-Y235 PolarHBondContact OD1-N 2.67Å; D233-Y235 VanDerWaalsContact OD1-N 3.1Å; D233-Y236 PolarHBondContact OD1-N 3.18Å; D233-Q237 WeakPolarHBondContact O-CA 3.06Å; D233-Q237 PolarHBondContact O-N 3.36Å; D233-V238 WeakPolarHBondContact CB-O 3.18Å; D233-V238 PolarHBondContact N-O 3.06Å; D233-V238 PolarHBondContact O-N 3.49Å; D233-R240 HydrophobicContact CB-CB 4.3Å; D233-R240 IonicContact OD2-NH1 3.35Å; D233-R240 PolarHBondContact OD2-NH1 2.85Å; D233-P291 HydrophobicContact CB-CG 4.32Å
234	K	94.7	Very high	94.7	Very high	19 Å²	19	14.4 Å²	14.4	8%	0.083	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.7	-176.1	172.4	169	179	-102.7	0	112.9	E17 Y18 S20 V22 Y66 Y232	E17-K234 HydrophobicContact CG-CB 3.92Å; E17-K234 HydrophobicContact CG-CD 4.45Å; E17-K234 HydrophobicContact CG-CG 4.4Å; E17-K234 PolarHBondContact O-NZ 3.35Å; Y18-K234 PolarHBondContact O-NZ 3.27Å; S20-K234 WeakPolarHBondContact O-CE 3.33Å; S20-K234 PolarHBondContact O-NZ 3.3Å; V22-K234 HydrophobicContact CG2-CD 4.26Å; V22-K234 VanDerWaalsContact CG2-CE 3.42Å; Y66-K234 HydrophobicContact CD1-CD 4.07Å; Y66-K234 HydrophobicContact CE1-CD 3.5Å; Y232-K234 HydrophobicContact CE1-CB 4.31Å; Y232-K234 PolarHBondContact O-N 2.87Å
235	Y	92.5	Very high	94.7	Very high	48 Å²	48	13.9 Å²	13.9	19%	0.188	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-49.6	-179.6	176.9	-93.5	0	0	0	110.5	A16 S20 M177 D233	A16-Y235 HydrophobicContact CB-CD2 3.94Å; A16-Y235 HydrophobicContact CB-CE2 4.05Å; S20-Y235 WeakPolarHBondContact OG-CD2 3.39Å; M177-Y235 WeakPolarHBondContact CB-OH 3.37Å; D233-Y235 VanDerWaalsContact C-N 3.31Å; D233-Y235 PolarHBondContact O-N 2.61Å; D233-Y235 PolarHBondContact OD1-N 2.67Å; D233-Y235 VanDerWaalsContact OD1-N 3.1Å
236	Y	94.3	Very high	94.8	Very high	51 Å²	51	14.9 Å²	14.9	20%	0.2	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.5	179.4	-67.8	-75	0	0	0	114.1	D233 V238 H290 P291 C292	D233-Y236 PolarHBondContact OD1-N 3.18Å; Y236-V238 VanDerWaalsContact C-N 3.27Å; Y236-V238 PolarHBondContact O-N 2.7Å; Y236-H290 AromaticContact CZ-CE1 3.99Å; Y236-P291 HydrophobicContact CD2-CB 4.22Å; Y236-P291 HydrophobicContact CD2-CG 3.46Å; Y236-P291 VanDerWaalsContact CD2-CG 3.46Å; Y236-P291 HydrophobicContact CE2-CG 3.96Å; Y236-P291 HydrophobicContact CG-CB 4.39Å; Y236-P291 HydrophobicContact CG-CG 4.1Å; Y236-C292 HydrophobicContact CD1-CB 4.4Å; Y236-C292 HydrophobicContact CE1-CB 3.71Å
237	Q	96.5	Very high	94.4	Very high	37 Å²	37	16.9 Å²	16.9	17%	0.173	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	36.5	179.2	-57.7	171.9	-11.8	0	0	113.3	L23 V33 I34 D233	L23-Q237 HydrophobicContact CB-CG 4.29Å; V33-Q237 HydrophobicContact CB-CB 3.87Å; V33-Q237 HydrophobicContact CG1-CB 4.27Å; I34-Q237 PolarHBondContact N-O 2.85Å; D233-Q237 WeakPolarHBondContact O-CA 3.06Å; D233-Q237 PolarHBondContact O-N 3.36Å
238	V	97.2	Very high	93.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.5	-175.9	-66.8	0	0	0	0	110.8	V33 D233 Y236 P291 H294 A295	V33-V238 HydrophobicContact CG1-CG1 4.47Å; D233-V238 WeakPolarHBondContact CB-O 3.18Å; D233-V238 PolarHBondContact N-O 3.06Å; D233-V238 PolarHBondContact O-N 3.49Å; Y236-V238 VanDerWaalsContact C-N 3.27Å; Y236-V238 PolarHBondContact O-N 2.7Å; V238-P291 HydrophobicContact CG2-CB 3.58Å; V238-H294 HydrophobicContact CB-CB 4.12Å; V238-H294 HydrophobicContact CG1-CB 4.27Å; V238-H294 HydrophobicContact CG2-CB 3.96Å; V238-A295 HydrophobicContact CG1-CB 3.92Å
239	P	97.9	Very high	91.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	144.9	169.4	-18.3	32.1	0	0	0	112	I34 F39 I230 T231 H294 Y317 L318 F321	I34-P239 HydrophobicContact CD1-CG 3.94Å; F39-P239 HydrophobicContact CD2-CG 4.27Å; F39-P239 HydrophobicContact CE2-CB 4.33Å; F39-P239 HydrophobicContact CE2-CG 4.45Å; I230-P239 HydrophobicContact CG2-CB 3.71Å; T231-P239 CarbonylContact O-C 3.55Å; T231-P239 WeakPolarHBondContact O-CA 3.46Å; P239-H294 PolarHBondContact O-CE1 2.92Å; P239-H294 PolarHBondContact O-ND1 3Å; P239-Y317 HydrophobicContact CG-CD1 3.8Å; P239-Y317 HydrophobicContact CG-CE1 3.45Å; P239-Y317 VanDerWaalsContact CG-CE1 3.45Å; P239-L318 HydrophobicContact CB-CD2 3.71Å; P239-L318 HydrophobicContact CG-CD2 3.42Å; P239-L318 VanDerWaalsContact CG-CD2 3.42Å; P239-F321 HydrophobicContact CB-CD1 4.08Å; P239-F321 HydrophobicContact CB-CE1 4Å; P239-F321 HydrophobicContact CB-CE2 4.48Å; P239-F321 HydrophobicContact CB-CG 4.34Å; P239-F321 HydrophobicContact CB-CZ 4.2Å
240	R	97.2	Very high	90.2	Very high	31 Å²	31	29.5 Å²	29.5	12%	0.117	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.1	175.4	-176.2	176.4	-173.9	159.5	0.6	110	I230 T231 D233 W242 S288 P291	I230-R240 WeakPolarHBondContact CA-O 3.42Å; T231-R240 PolarHBondContact N-O 3.41Å; T231-R240 PolarHBondContact O-N 2.83Å; D233-R240 HydrophobicContact CB-CB 4.3Å; D233-R240 IonicContact OD2-NH1 3.35Å; D233-R240 PolarHBondContact OD2-NH1 2.85Å; R240-W242 HydrophobicContact CG-CZ2 4.38Å; R240-S288 PolarHBondContact NE-OG 3.33Å; R240-P291 HydrophobicContact CB-CB 4.45Å; R240-P291 HydrophobicContact CB-CG 4.49Å; R240-P291 HydrophobicContact CG-CG 4.27Å
241	M	96.5	Very high	88.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.4	179	-175.3	67.2	76.9	0	0	110.5	W53 L228 T229 I230 L243 S288 I289 F321 L322 V325	W53-M241 HydrophobicContact CH2-CE 4.02Å; W53-M241 HydrophobicContact CH2-SD 4.3Å; L228-M241 HydrophobicContact CB-SD 4.12Å; T229-M241 CarbonylContact O-C 3.59Å; T229-M241 WeakPolarHBondContact O-CA 3.28Å; I230-M241 HydrophobicContact CD1-CE 4.01Å; I230-M241 HydrophobicContact CG1-CE 3.69Å; I230-M241 HydrophobicContact CG1-SD 3.87Å; M241-L243 HydrophobicContact CG-CD1 3.97Å; M241-L243 HydrophobicContact CG-CG 4.43Å; M241-S288 VanDerWaalsContact O-CA 3.3Å; M241-S288 WeakPolarHBondContact O-CA 3.25Å; M241-S288 PolarHBondContact O-OG 3.21Å; M241-I289 HydrophobicContact CB-CB 4.36Å; M241-I289 HydrophobicContact CB-CD1 4.13Å; M241-I289 HydrophobicContact CB-CG1 4.38Å; M241-I289 HydrophobicContact CG-CD1 4.22Å; M241-I289 PolarHBondContact O-N 3.32Å; M241-I289 VanDerWaalsContact O-N 3.12Å; M241-F321 HydrophobicContact CB-CE1 4.43Å; M241-F321 HydrophobicContact CB-CZ 4.09Å; M241-F321 HydrophobicContact CE-CE1 4.15Å; M241-L322 HydrophobicContact CE-CD2 3.4Å; M241-L322 VanDerWaalsContact CE-CD2 3.4Å; M241-V325 HydrophobicContact CB-CG2 4.44Å; M241-V325 HydrophobicContact CE-CB 4.47Å; M241-V325 HydrophobicContact CE-CG1 3.97Å; M241-V325 HydrophobicContact CE-CG2 4.29Å; M241-V325 HydrophobicContact CG-CG1 4.28Å
242	W	96.1	Very high	87.5	Confident	10 Å²	10	38.6 Å²	38.6	4%	0.038	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.1	171.8	-49.2	75.2	0	0	0	110.7	L228 T229 T231 R240 M277 H278 P279 M286 A287	L228-W242 WeakPolarHBondContact CA-O 3.32Å; T229-W242 PolarHBondContact N-O 3.48Å; T229-W242 PolarHBondContact O-N 3.46Å; T229-W242 WeakPolarHBondContact OG1-CB 3.32Å; T231-W242 PolarHBondContact OG1-NE1 3.2Å; R240-W242 HydrophobicContact CG-CZ2 4.38Å; W242-M277 WeakPolarHBondContact CH2-O 3.47Å; W242-M277 WeakPolarHBondContact CZ3-O 3.33Å; W242-H278 AromaticContact CD1-CD2 3.83Å; W242-H278 AromaticContact CD2-CD2 3.86Å; W242-H278 HydrophobicContact CE3-CB 4.5Å; W242-H278 AromaticContact CG-CD2 3.58Å; W242-P279 HydrophobicContact CZ2-CG 4.12Å; W242-M286 HydrophobicContact CB-CE 3.76Å; W242-M286 HydrophobicContact CE3-CB 4.14Å; W242-A287 CarbonylContact C-O 2.95Å; W242-A287 VanDerWaalsContact CA-O 3.31Å; W242-A287 WeakPolarHBondContact CA-O 3.28Å
243	L	94	Very high	86.8	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.6	-173.7	-57.6	95.2	0	0	0	110.4	Y226 L228 M241 F264 A287 I289 I329 I332	Y226-L243 HydrophobicContact CD1-CB 4.25Å; Y226-L243 HydrophobicContact CD1-CD2 4.4Å; L228-L243 HydrophobicContact CD2-CB 4.14Å; L228-L243 HydrophobicContact CD2-CD2 3.53Å; L228-L243 HydrophobicContact CD2-CG 3.62Å; M241-L243 HydrophobicContact CG-CD1 3.97Å; M241-L243 HydrophobicContact CG-CG 4.43Å; L243-F264 HydrophobicContact CD2-CE1 3.91Å; L243-F264 HydrophobicContact CD2-CZ 4.3Å; L243-A287 HydrophobicContact CB-CB 4.36Å; L243-A287 PolarHBondContact N-O 3.09Å; L243-A287 PolarHBondContact O-N 3.15Å; L243-A287 VanDerWaalsContact O-N 3.1Å; L243-I289 HydrophobicContact CD1-CD1 4.47Å; L243-I289 HydrophobicContact CD1-CG1 4.2Å; L243-I329 HydrophobicContact CD2-CD1 3.85Å; L243-I329 HydrophobicContact CD2-CG2 3.96Å; L243-I332 HydrophobicContact CD2-CD1 3.72Å
244	S	91.1	Very high	86.3	Confident	23 Å²	23	47.4 Å²	47.4	16%	0.161	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	113.3	167.2	-179.5	0	0	0	0	109	Y226 D227 Y246	Y226-S244 CarbonylContact C-O 3.5Å; Y226-S244 WeakPolarHBondContact CA-O 3.43Å; D227-S244 PolarHBondContact N-O 2.77Å; D227-S244 PolarHBondContact O-N 3Å; S244-Y246 WeakPolarHBondContact O-CE2 3.44Å
245	G	89.6	Confident	86	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	154.6	179.7	0	0	0	0	0	113.5	T225 Y226 P254 L255	T225-G245 CarbonylContact O-C 3.57Å; T225-G245 VanDerWaalsContact O-CA 3.27Å; T225-G245 WeakPolarHBondContact O-CA 3.39Å; Y226-G245 VanDerWaalsContact CD1-CA 3.43Å; Y226-G245 VanDerWaalsContact CE1-CA 3.48Å; G245-P254 WeakPolarHBondContact O-CA 3.2Å; G245-L255 PolarHBondContact O-N 2.91Å
246	Y	88.7	Confident	85.8	Confident	49 Å²	49	48.7 Å²	48.7	19%	0.192	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.7	179.9	-52	-88.4	0	0	0	110.5	R224 T225 D227 S244 K252 K253	R224-Y246 WeakPolarHBondContact CA-O 3.44Å; T225-Y246 PolarHBondContact N-O 3.31Å; T225-Y246 PolarHBondContact O-N 3.16Å; D227-Y246 HydrophobicContact CB-CE2 4.17Å; D227-Y246 PolarHBondContact OD2-OH 2.91Å; S244-Y246 WeakPolarHBondContact O-CE2 3.44Å; Y246-K252 HydrophobicContact CD1-CB 4.43Å; Y246-K252 WeakPolarHBondContact CD1-O 3.24Å; Y246-K253 VanDerWaalsContact CA-O 3.31Å; Y246-K253 WeakPolarHBondContact CA-O 2.81Å
247	D	83.1	Confident	85.3	Confident	41 Å²	41	48.6 Å²	48.6	22%	0.219	27%	0.265	C	S	.	.			trans	-77.2	161.3	174.7	-162	7.4	0	0	0	112.2	A249 K253 L255	D247-A249 PolarHBondContact O-N 3.48Å; D247-K253 PolarHBondContact N-O 3.03Å; D247-L255 HydrophobicContact CB-CD2 4.13Å
248	E	72.1	Confident	84.8	Confident	115 Å²	115	52.5 Å²	52.5	54%	0.537	29%	0.287	S	S	.	.	S	Bend	trans	-67	-17.1	-177.7	-149.5	177.3	161.8	0	0	113.5	K222 T223	K222-E248 WeakPolarHBondContact CA-OE2 3.38Å; T223-E248 PolarHBondContact N-OE2 3.01Å; T223-E248 WeakPolarHBondContact O-CA 3.3Å; T223-E248 WeakPolarHBondContact O-CB 3.34Å; T223-E248 WeakPolarHBondContact O-CG 3.29Å; T223-E248 PolarHBondContact O-N 2.88Å
249	A	62.5	Low	84.4	Confident	43 Å²	43	55.3 Å²	55.3	36%	0.355	30%	0.301	S	S	.	.	S	Bend	trans	-56.6	145.1	-175.4	0	0	0	0	0	111	D247 D251 K252	D247-A249 PolarHBondContact O-N 3.48Å; A249-D251 PolarHBondContact O-N 3.34Å; A249-K252 PolarHBondContact O-N 3.19Å
250	S	58.9	Low	83.9	Confident	120 Å²	120	55.8 Å²	55.8	84%	0.839	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	-23.1	178.9	52.5	0	0	0	0	115
251	D	66.1	Low	83.4	Confident	109 Å²	109	57.6 Å²	57.6	58%	0.583	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.4	-176.1	-56.6	-15.9	0	0	0	114.5	A249 K253	A249-D251 PolarHBondContact O-N 3.34Å; D251-K253 HydrophobicContact CB-CG 4.23Å; D251-K253 PolarHBondContact O-N 3.37Å
252	K	74.9	Confident	83	Confident	83 Å²	83	61 Å²	61	36%	0.361	33%	0.326	S	S	.	.			trans	42.4	58.2	-175.6	-70.8	-168.6	174.6	-164.9	0	112.7	S96 Y246 A249	S96-K252 PolarHBondContact O-NZ 2.85Å; Y246-K252 HydrophobicContact CD1-CB 4.43Å; Y246-K252 WeakPolarHBondContact CD1-O 3.24Å; A249-K252 PolarHBondContact O-N 3.19Å
253	K	82.4	Confident	82.6	Confident	126 Å²	126	60.6 Å²	60.6	55%	0.548	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-69.6	134.4	179.1	-67.7	-179.2	-177.5	174.9	0	109.9	Y246 D247 D251	Y246-K253 VanDerWaalsContact CA-O 3.31Å; Y246-K253 WeakPolarHBondContact CA-O 2.81Å; D247-K253 PolarHBondContact N-O 3.03Å; D251-K253 HydrophobicContact CB-CG 4.23Å; D251-K253 PolarHBondContact O-N 3.37Å
254	P	86.9	Confident	82.3	Confident	89 Å²	89	60.5 Å²	60.5	58%	0.578	32%	0.324	S	S	*	.	B	Isolated β-bridge	trans	-62.6	140	176.7	26	-32.9	0	0	0	110.2	G245	G245-P254 WeakPolarHBondContact O-CA 3.2Å
255	L	87.4	Confident	82	Confident	17 Å²	17	59.5 Å²	59.5	9%	0.089	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-70.9	151.1	176.9	-65.3	173.8	0	0	0	111.3	R224 Y226 G245 D247 Q259 M260	R224-L255 HydrophobicContact CB-CD1 4.32Å; R224-L255 VanDerWaalsContact CD-CD1 3.47Å; R224-L255 HydrophobicContact CG-CD1 4.09Å; R224-L255 HydrophobicContact CG-CD2 4.15Å; Y226-L255 HydrophobicContact CE2-CD1 4.41Å; G245-L255 PolarHBondContact O-N 2.91Å; D247-L255 HydrophobicContact CB-CD2 4.13Å; L255-Q259 HydrophobicContact CB-CB 4.2Å; L255-Q259 HydrophobicContact CD2-CB 4.2Å; L255-M260 HydrophobicContact CB-CG 3.83Å; L255-M260 HydrophobicContact CD1-CG 3.99Å
256	T	87.6	Confident	81.5	Confident	76 Å²	76	63.5 Å²	63.5	47%	0.466	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-72	160.6	165.3	61.3	0	0	0	0	110.8	D258 Q259 M260	T256-D258 VanDerWaalsContact C-N 3.3Å; T256-D258 PolarHBondContact O-N 2.85Å; T256-Q259 PolarHBondContact O-N 2.98Å; T256-Q259 WeakPolarHBondContact OG1-CB 3.43Å; T256-Q259 VanDerWaalsContact OG1-CD 3.3Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.37Å; T256-Q259 PolarHBondContact OG1-N 3.2Å; T256-Q259 PolarHBondContact OG1-OE1 2.81Å; T256-M260 PolarHBondContact O-N 3.35Å
257	V	84.8	Confident	80.9	Confident	49 Å²	49	64.4 Å²	64.4	30%	0.297	34%	0.344	S	S	.	.	H	α-helix	trans	-57.9	-45.1	176.5	-178.2	0	0	0	0	111	Q259 M260 Y261 M275	V257-Q259 VanDerWaalsContact C-N 3.32Å; V257-Q259 PolarHBondContact O-N 3.49Å; V257-M260 HydrophobicContact CG2-CE 4.35Å; V257-M260 PolarHBondContact O-N 2.95Å; V257-M260 VanDerWaalsContact O-N 3.13Å; V257-Y261 HydrophobicContact CG1-CD1 4.39Å; V257-Y261 HydrophobicContact CG1-CD2 4.21Å; V257-Y261 HydrophobicContact CG1-CE1 3.93Å; V257-Y261 HydrophobicContact CG1-CE2 3.68Å; V257-Y261 PolarHBondContact O-N 2.78Å; V257-M275 HydrophobicContact CB-SD 4.48Å; V257-M275 HydrophobicContact CG1-CG 4.01Å; V257-M275 HydrophobicContact CG1-SD 3.93Å; V257-M275 HydrophobicContact CG2-CE 3.78Å; V257-M275 HydrophobicContact CG2-CG 3.99Å; V257-M275 HydrophobicContact CG2-SD 3.83Å
258	D	85.7	Confident	80.5	Confident	119 Å²	119	62.8 Å²	62.8	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-61	-41.5	179.1	-60.9	-26.8	0	0	0	111.9	T256 Y261 E262	T256-D258 VanDerWaalsContact C-N 3.3Å; T256-D258 PolarHBondContact O-N 2.85Å; D258-Y261 WeakPolarHBondContact O-CB 3.48Å; D258-Y261 PolarHBondContact O-N 3.4Å; D258-E262 PolarHBondContact O-N 2.78Å
259	Q	88.3	Confident	80.5	Confident	60 Å²	60	57.8 Å²	57.8	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-47.5	174.4	-76.1	170.5	-37.9	0	0	110.9	R224 L255 T256 V257 Y261 E262	R224-Q259 PolarHBondContact NH1-O 3.44Å; L255-Q259 HydrophobicContact CB-CB 4.2Å; L255-Q259 HydrophobicContact CD2-CB 4.2Å; T256-Q259 PolarHBondContact O-N 2.98Å; T256-Q259 WeakPolarHBondContact OG1-CB 3.43Å; T256-Q259 VanDerWaalsContact OG1-CD 3.3Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.37Å; T256-Q259 PolarHBondContact OG1-N 3.2Å; T256-Q259 PolarHBondContact OG1-OE1 2.81Å; V257-Q259 VanDerWaalsContact C-N 3.32Å; V257-Q259 PolarHBondContact O-N 3.49Å; Q259-Y261 PolarHBondContact O-N 2.75Å; Q259-E262 VanDerWaalsContact O-CB 3.28Å; Q259-E262 WeakPolarHBondContact O-CB 3.38Å; Q259-E262 PolarHBondContact O-N 3.1Å
260	M	87.9	Confident	81	Confident	10 Å²	10	64.9 Å²	64.9	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-36.5	178	-67.9	-173.8	-65.5	0	0	112.4	Y226 L255 T256 V257 E262 D263 F264 M275 A287	Y226-M260 HydrophobicContact CE1-CG 4.16Å; Y226-M260 HydrophobicContact CE1-SD 4.37Å; L255-M260 HydrophobicContact CB-CG 3.83Å; L255-M260 HydrophobicContact CD1-CG 3.99Å; T256-M260 PolarHBondContact O-N 3.35Å; V257-M260 HydrophobicContact CG2-CE 4.35Å; V257-M260 PolarHBondContact O-N 2.95Å; V257-M260 VanDerWaalsContact O-N 3.13Å; M260-E262 PolarHBondContact O-N 3.48Å; M260-D263 WeakPolarHBondContact O-CB 3.22Å; M260-D263 PolarHBondContact O-N 2.9Å; M260-F264 HydrophobicContact CB-CE2 3.85Å; M260-F264 HydrophobicContact CB-CZ 3.77Å; M260-F264 WeakPolarHBondContact O-CD1 3.41Å; M260-F264 WeakPolarHBondContact O-CD2 3.23Å; M260-F264 WeakPolarHBondContact O-CG 3.45Å; M260-F264 PolarHBondContact O-N 3.49Å; M260-M275 HydrophobicContact CE-CE 4.03Å; M260-M275 HydrophobicContact CE-SD 4.15Å; M260-A287 HydrophobicContact CE-CB 4.05Å; M260-A287 HydrophobicContact SD-CB 4.21Å
261	Y	86.9	Confident	81.8	Confident	68 Å²	68	64.4 Å²	64.4	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-24.6	175.6	-70.6	-14	0	0	0	114	V257 D258 Q259 D263 F264 Q266 V269 I273	V257-Y261 HydrophobicContact CG1-CD1 4.39Å; V257-Y261 HydrophobicContact CG1-CD2 4.21Å; V257-Y261 HydrophobicContact CG1-CE1 3.93Å; V257-Y261 HydrophobicContact CG1-CE2 3.68Å; V257-Y261 PolarHBondContact O-N 2.78Å; D258-Y261 WeakPolarHBondContact O-CB 3.48Å; D258-Y261 PolarHBondContact O-N 3.4Å; Q259-Y261 PolarHBondContact O-N 2.75Å; Y261-D263 PolarHBondContact O-N 2.8Å; Y261-F264 AromaticContact CD1-CD2 3.69Å; Y261-F264 HydrophobicContact CD1-CD2 3.69Å; Y261-F264 AromaticContact CD1-CE2 3.97Å; Y261-F264 HydrophobicContact CD1-CE2 3.97Å; Y261-F264 HydrophobicContact CE1-CD2 4.33Å; Y261-F264 HydrophobicContact CE1-CE2 4.4Å; Y261-F264 PolarHBondContact O-N 2.65Å; Y261-Q266 PolarHBondContact O-NE2 3.19Å; Y261-V269 HydrophobicContact CD1-CG1 3.67Å; Y261-V269 HydrophobicContact CD2-CG1 4.05Å; Y261-V269 HydrophobicContact CE1-CG1 3.94Å; Y261-V269 HydrophobicContact CE2-CG1 4.33Å; Y261-V269 HydrophobicContact CG-CG1 3.69Å; Y261-I273 HydrophobicContact CE1-CB 4.49Å; Y261-I273 HydrophobicContact CE1-CG2 3.97Å
262	E	87.5	Confident	82.4	Confident	73 Å²	73	59.6 Å²	59.6	34%	0.341	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-20.3	171.7	-58.2	166.9	-168.2	0	0	113	R104 S105 R224 D258 Q259 M260	R104-E262 CarbonylContact C-O 2.81Å; R104-E262 WeakPolarHBondContact CA-O 3.4Å; R104-E262 HydrophobicContact CB-CB 4.5Å; R104-E262 VanDerWaalsContact CB-O 3.29Å; R104-E262 WeakPolarHBondContact CB-O 3.41Å; R104-E262 HydrophobicContact CG-CB 4.31Å; R104-E262 IonicContact NE-OE2 3.54Å; S105-E262 PolarHBondContact N-O 2.97Å; S105-E262 PolarHBondContact OG-O 3.12Å; R224-E262 IonicContact CZ-OE2 3.64Å; R224-E262 IonicContact NH1-OE2 3.91Å; R224-E262 PolarHBondContact NH1-OE2 3.31Å; R224-E262 IonicContact NH2-OE1 2.7Å; R224-E262 IonicContact NH2-OE2 3.93Å; R224-E262 PolarHBondContact NH2-OE2 3.15Å; D258-E262 PolarHBondContact O-N 2.78Å; Q259-E262 VanDerWaalsContact O-CB 3.28Å; Q259-E262 WeakPolarHBondContact O-CB 3.38Å; Q259-E262 PolarHBondContact O-N 3.1Å; M260-E262 PolarHBondContact O-N 3.48Å
263	D	87.4	Confident	83	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.9	179.3	-62.7	-45	0	0	0	112.7	C101 R104 S105 R224 Y226 M260 Y261 T331	C101-D263 PolarHBondContact SG-OD1 3.02Å; C101-D263 VanDerWaalsContact SG-OD1 3.34Å; R104-D263 WeakPolarHBondContact CD-OD1 3.39Å; R104-D263 IonicContact CZ-OD1 3.99Å; R104-D263 IonicContact NE-OD1 2.76Å; R104-D263 PolarHBondContact NE-OD1 2.83Å; R104-D263 IonicContact NH1-OD1 3.47Å; R104-D263 PolarHBondContact NH1-OD1 2.59Å; R104-D263 IonicContact NH1-OD2 3.47Å; S105-D263 VanDerWaalsContact OG-C 3.24Å; R224-D263 WeakPolarHBondContact CD-OD2 3.36Å; R224-D263 IonicContact CZ-OD2 2.8Å; R224-D263 IonicContact NE-OD2 2.8Å; R224-D263 VanDerWaalsContact NH1-CG 3.35Å; R224-D263 IonicContact NH1-OD1 3.75Å; R224-D263 PolarHBondContact NH1-OD1 3.03Å; R224-D263 IonicContact NH1-OD2 2.77Å; R224-D263 PolarHBondContact NH1-OD2 3.32Å; Y226-D263 HydrophobicContact CE2-CB 4.36Å; Y226-D263 WeakPolarHBondContact CE2-OD2 3.03Å; Y226-D263 WeakPolarHBondContact OH-CB 3.37Å; Y226-D263 PolarHBondContact OH-OD2 2.9Å; M260-D263 WeakPolarHBondContact O-CB 3.22Å; M260-D263 PolarHBondContact O-N 2.9Å; Y261-D263 PolarHBondContact O-N 2.8Å; D263-T331 PolarHBondContact O-OG1 2.89Å
264	F	88.2	Confident	83.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-104.1	144.7	-176.4	-56.8	-21.7	0	0	0	111.7	S105 Y226 L243 M260 Y261 Q266 V269 I273 A287 I329 I332	S105-F264 WeakPolarHBondContact CB-O 3.42Å; S105-F264 PolarHBondContact OG-N 3.49Å; S105-F264 VanDerWaalsContact OG-N 3.13Å; S105-F264 PolarHBondContact OG-O 2.94Å; Y226-F264 HydrophobicContact CE1-CE1 4.36Å; L243-F264 HydrophobicContact CD2-CE1 3.91Å; L243-F264 HydrophobicContact CD2-CZ 4.3Å; M260-F264 HydrophobicContact CB-CE2 3.85Å; M260-F264 HydrophobicContact CB-CZ 3.77Å; M260-F264 WeakPolarHBondContact O-CD1 3.41Å; M260-F264 WeakPolarHBondContact O-CD2 3.23Å; M260-F264 WeakPolarHBondContact O-CG 3.45Å; M260-F264 PolarHBondContact O-N 3.49Å; Y261-F264 AromaticContact CD1-CD2 3.69Å; Y261-F264 HydrophobicContact CD1-CD2 3.69Å; Y261-F264 AromaticContact CD1-CE2 3.97Å; Y261-F264 HydrophobicContact CD1-CE2 3.97Å; Y261-F264 HydrophobicContact CE1-CD2 4.33Å; Y261-F264 HydrophobicContact CE1-CE2 4.4Å; Y261-F264 PolarHBondContact O-N 2.65Å; F264-Q266 PolarHBondContact O-N 3.39Å; F264-V269 HydrophobicContact CB-CG2 3.45Å; F264-V269 VanDerWaalsContact CB-CG2 3.45Å; F264-V269 WeakPolarHBondContact O-CG2 3.49Å; F264-I273 HydrophobicContact CB-CD1 3.55Å; F264-I273 HydrophobicContact CD1-CD1 4.29Å; F264-I273 HydrophobicContact CD2-CD1 3.11Å; F264-I273 HydrophobicContact CD2-CG1 4.36Å; F264-I273 HydrophobicContact CD2-CG2 4.03Å; F264-I273 HydrophobicContact CE2-CD1 3.8Å; F264-I273 HydrophobicContact CE2-CG2 3.82Å; F264-I273 HydrophobicContact CG-CD1 3.4Å; F264-A287 HydrophobicContact CE2-CB 4.12Å; F264-A287 HydrophobicContact CZ-CB 4.09Å; F264-I329 HydrophobicContact CD1-CG2 3.56Å; F264-I329 HydrophobicContact CE1-CG2 3.89Å; F264-I329 HydrophobicContact CG-CG2 4.41Å; F264-I332 HydrophobicContact CE1-CD1 4.16Å
265	S	85.1	Confident	83.4	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	25%	0.254	C	S	.	.			trans	-57	129.5	179.4	169.1	0	0	0	0	111.3	D267 H268 V269 A327 V328	S265-D267 PolarHBondContact O-N 3.18Å; S265-H268 PolarHBondContact O-N 2.66Å; S265-V269 WeakPolarHBondContact O-CG2 3.24Å; S265-V269 PolarHBondContact O-N 3.25Å; S265-A327 WeakPolarHBondContact CB-O 3.12Å; S265-V328 PolarHBondContact N-O 3.28Å
266	Q	79.8	Confident	83.4	Confident	85 Å²	85	51.2 Å²	51.2	40%	0.397	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-30.5	-175.5	-65.7	-60.2	-50.6	0	0	112.5	I106 Y261 F264 H268	I106-Q266 HydrophobicContact CG1-CG 4.39Å; Y261-Q266 PolarHBondContact O-NE2 3.19Å; F264-Q266 PolarHBondContact O-N 3.39Å; Q266-H268 PolarHBondContact O-N 2.73Å
267	D	76.1	Confident	83.6	Confident	68 Å²	68	53.7 Å²	53.7	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-70.5	-23.8	177.7	-53.9	-50.6	0	0	0	112.1	S265	S265-D267 PolarHBondContact O-N 3.18Å
268	H	74.1	Confident	84.1	Confident	6 Å²	6	52 Å²	52	3%	0.028	25%	0.252	C	S	.	.	H	α-helix	trans	-103.7	-31.6	-177.4	-64.4	-55.8	0	0	0	113.4	S265 Q266 K270 K271 T272 A327 V328	S265-H268 PolarHBondContact O-N 2.66Å; Q266-H268 PolarHBondContact O-N 2.73Å; H268-K270 VanDerWaalsContact C-N 3.3Å; H268-K270 PolarHBondContact O-N 3.15Å; H268-K270 VanDerWaalsContact O-N 3.15Å; H268-K271 PolarHBondContact O-N 3.3Å; H268-T272 PolarHBondContact O-N 3.31Å; H268-T272 PolarHBondContact O-OG1 2.96Å; H268-A327 PolarHBondContact CD2-O 2.72Å; H268-V328 HydrophobicContact CB-CB 4.45Å; H268-V328 HydrophobicContact CB-CG1 3.95Å; H268-V328 HydrophobicContact CB-CG2 4.31Å
269	V	72.7	Confident	84.5	Confident	10 Å²	10	47.7 Å²	47.7	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-48.3	-50	-173.7	172.9	0	0	0	0	112.5	Y261 F264 S265 K271	Y261-V269 HydrophobicContact CD1-CG1 3.67Å; Y261-V269 HydrophobicContact CD2-CG1 4.05Å; Y261-V269 HydrophobicContact CE1-CG1 3.94Å; Y261-V269 HydrophobicContact CE2-CG1 4.33Å; Y261-V269 HydrophobicContact CG-CG1 3.69Å; F264-V269 HydrophobicContact CB-CG2 3.45Å; F264-V269 VanDerWaalsContact CB-CG2 3.45Å; F264-V269 WeakPolarHBondContact O-CG2 3.49Å; S265-V269 WeakPolarHBondContact O-CG2 3.24Å; S265-V269 PolarHBondContact O-N 3.25Å; V269-K271 VanDerWaalsContact C-N 3.33Å; V269-K271 PolarHBondContact O-N 3.49Å
270	K	72.6	Confident	84.7	Confident	193 Å²	193	45 Å²	45	84%	0.839	22%	0.219	S	C	*	.	H	α-helix	trans	-78.2	-18.8	-174.3	-65.4	-178.3	-178.4	175.8	0	113.7	H268	H268-K270 VanDerWaalsContact C-N 3.3Å; H268-K270 PolarHBondContact O-N 3.15Å; H268-K270 VanDerWaalsContact O-N 3.15Å
271	K	75	Confident	84.9	Confident	110 Å²	110	46.8 Å²	46.8	48%	0.478	23%	0.228	S	C	.	.	H	α-helix	trans	-103.7	-37.3	-170.7	-68.2	-178.8	174.9	175.4	0	112.7	G126 H268 V269	G126-K271 PolarHBondContact O-NZ 3.16Å; H268-K271 PolarHBondContact O-N 3.3Å; V269-K271 VanDerWaalsContact C-N 3.33Å; V269-K271 PolarHBondContact O-N 3.49Å
272	T	80.1	Confident	85	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-119.4	-14.6	-168.3	63.4	0	0	0	0	113.9	H268 I289 H290	H268-T272 PolarHBondContact O-N 3.31Å; H268-T272 PolarHBondContact O-OG1 2.96Å; T272-I289 CarbonylContact O-C 3.59Å; T272-H290 WeakPolarHBondContact O-CB 2.78Å; T272-H290 PolarHBondContact O-N 2.88Å
273	I	86.5	Confident	84.9	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.6	-173.3	-55.2	-176.2	0	0	0	111.1	Y261 F264 A287 S288 V328	Y261-I273 HydrophobicContact CE1-CB 4.49Å; Y261-I273 HydrophobicContact CE1-CG2 3.97Å; F264-I273 HydrophobicContact CB-CD1 3.55Å; F264-I273 HydrophobicContact CD1-CD1 4.29Å; F264-I273 HydrophobicContact CD2-CD1 3.11Å; F264-I273 HydrophobicContact CD2-CG1 4.36Å; F264-I273 HydrophobicContact CD2-CG2 4.03Å; F264-I273 HydrophobicContact CE2-CD1 3.8Å; F264-I273 HydrophobicContact CE2-CG2 3.82Å; F264-I273 HydrophobicContact CG-CD1 3.4Å; I273-A287 HydrophobicContact CG2-CB 4.3Å; I273-S288 WeakPolarHBondContact CA-O 3.33Å; I273-V328 HydrophobicContact CD1-CG1 3.88Å; I273-V328 HydrophobicContact CG1-CG1 4.24Å
274	T	87.3	Confident	84.9	Confident	51 Å²	51	52 Å²	52	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.6	-179.5	57.5	0	0	0	0	110.6	A287 S288 H290	T274-A287 CarbonylContact O-C 3.58Å; T274-S288 PolarHBondContact N-O 2.88Å; T274-S288 PolarHBondContact O-N 2.87Å; T274-S288 PolarHBondContact OG1-O 3.24Å; T274-H290 HydrophobicContact CG2-CB 4.42Å
275	M	89.5	Confident	84.9	Confident	66 Å²	66	55.9 Å²	55.9	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.7	172	-63.9	-56.9	-59	0	0	109.5	V257 M260 P285 M286 A287	V257-M275 HydrophobicContact CB-SD 4.48Å; V257-M275 HydrophobicContact CG1-CG 4.01Å; V257-M275 HydrophobicContact CG1-SD 3.93Å; V257-M275 HydrophobicContact CG2-CE 3.78Å; V257-M275 HydrophobicContact CG2-CG 3.99Å; V257-M275 HydrophobicContact CG2-SD 3.83Å; M260-M275 HydrophobicContact CE-CE 4.03Å; M260-M275 HydrophobicContact CE-SD 4.15Å; M275-P285 HydrophobicContact CE-CB 4.23Å; M275-P285 WeakPolarHBondContact CE-O 3.25Å; M275-M286 VanDerWaalsContact CE-C 3.47Å; M275-A287 HydrophobicContact SD-CB 3.81Å
276	G	88.8	Confident	85.2	Confident	12 Å²	12	56.9 Å²	56.9	12%	0.124	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	172	-177	0	0	0	0	0	113.3	P285 M286	G276-P285 CarbonylContact O-C 2.94Å; G276-P285 VanDerWaalsContact O-CA 3.24Å; G276-P285 WeakPolarHBondContact O-CA 2.79Å; G276-M286 PolarHBondContact N-O 3.35Å; G276-M286 PolarHBondContact O-N 3.48Å
277	M	92	Very high	85.8	Confident	127 Å²	127	52.8 Å²	52.8	63%	0.626	30%	0.297	S	S	*	.			trans	-86.3	133	174.2	-65.6	-177	64.4	0	0	109.9	W242	W242-M277 WeakPolarHBondContact CH2-O 3.47Å; W242-M277 WeakPolarHBondContact CZ3-O 3.33Å
278	H	93.9	Very high	86.6	Confident	13 Å²	13	49.6 Å²	49.6	6%	0.06	28%	0.28	C	S	.	.			trans	-69.5	129.8	178.4	-172.9	-83.8	0	0	0	110.4	T229 W242 H280 L281 M286	T229-H278 PolarHBondContact OG1-CD2 3.18Å; T229-H278 VanDerWaalsContact OG1-CD2 3.27Å; T229-H278 PolarHBondContact OG1-NE2 2.81Å; W242-H278 AromaticContact CD1-CD2 3.83Å; W242-H278 AromaticContact CD2-CD2 3.86Å; W242-H278 HydrophobicContact CE3-CB 4.5Å; W242-H278 AromaticContact CG-CD2 3.58Å; H278-H280 PolarHBondContact ND1-N 3.19Å; H278-H280 VanDerWaalsContact ND1-N 3.18Å; H278-H280 PolarHBondContact O-N 3.1Å; H278-H280 VanDerWaalsContact O-N 3.11Å; H278-L281 HydrophobicContact CB-CB 4.16Å; H278-L281 WeakPolarHBondContact ND1-CB 3.08Å; H278-L281 WeakPolarHBondContact ND1-CG 3.48Å; H278-L281 PolarHBondContact ND1-N 3.46Å; H278-L281 VanDerWaalsContact ND1-N 3.15Å; H278-L281 PolarHBondContact O-N 3.18Å; H278-M286 HydrophobicContact CB-SD 3.72Å
279	P	94.1	Very high	87.6	Confident	30 Å²	30	49.3 Å²	49.3	20%	0.195	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.9	-169.1	26.9	-36.1	0	0	0	114.3	Q62 T231 W242	Q62-P279 WeakPolarHBondContact CB-O 3.5Å; T231-P279 HydrophobicContact CG2-CG 3.83Å; W242-P279 HydrophobicContact CZ2-CG 4.12Å
280	H	93.8	Very high	88.5	Confident	2 Å²	2	51 Å²	51	1%	0.009	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-4	-179.7	-54.8	-80.6	0	0	0	114.9	G58 D59 Q62 K64 Q72 F73 H278	G58-H280 WeakPolarHBondContact CA-O 3.42Å; D59-H280 PolarHBondContact N-O 3.43Å; Q62-H280 PolarHBondContact O-ND1 3.03Å; K64-H280 VanDerWaalsContact CG-CE1 3.46Å; K64-H280 WeakPolarHBondContact CG-CE1 3.27Å; Q72-H280 PolarHBondContact OE1-CE1 3.27Å; F73-H280 HydrophobicContact CD1-CB 3.6Å; F73-H280 AromaticContact CD1-CD2 3.78Å; F73-H280 AromaticContact CD1-CG 3.76Å; F73-H280 HydrophobicContact CE1-CB 3.65Å; H278-H280 PolarHBondContact ND1-N 3.19Å; H278-H280 VanDerWaalsContact ND1-N 3.18Å; H278-H280 PolarHBondContact O-N 3.1Å; H278-H280 VanDerWaalsContact O-N 3.11Å
281	L	92.4	Very high	89.5	Confident	49 Å²	49	41.9 Å²	41.9	26%	0.257	25%	0.246	S	C	.	.			trans	-129.8	124.3	-172.4	-68.5	175	0	0	0	109.7	F73 T229 H278	F73-L281 HydrophobicContact CE1-CD2 4.41Å; F73-L281 HydrophobicContact CE1-CG 4.41Å; F73-L281 HydrophobicContact CE2-CD1 4.14Å; F73-L281 HydrophobicContact CZ-CD1 3.99Å; F73-L281 HydrophobicContact CZ-CD2 3.86Å; F73-L281 HydrophobicContact CZ-CG 3.91Å; T229-L281 HydrophobicContact CG2-CD1 4.45Å; H278-L281 HydrophobicContact CB-CB 4.16Å; H278-L281 WeakPolarHBondContact ND1-CB 3.08Å; H278-L281 WeakPolarHBondContact ND1-CG 3.48Å; H278-L281 PolarHBondContact ND1-N 3.46Å; H278-L281 VanDerWaalsContact ND1-N 3.15Å; H278-L281 PolarHBondContact O-N 3.18Å
282	P	88.7	Confident	90.2	Very high	102 Å²	102	39.5 Å²	39.5	66%	0.662	24%	0.242	S	C	*	.			trans	-70.4	142.6	170.6	30.6	-34.4	0	0	0	109.1
283	G	85.5	Confident	90.7	Very high	51 Å²	51	43.3 Å²	43.3	53%	0.526	26%	0.256	S	S	.	.	S	Bend	trans	160.3	-176.1	179.3	0	0	0	0	0	113.7
284	P	86	Confident	91	Very high	97 Å²	97	43 Å²	43	63%	0.63	25%	0.254	S	S	*	.	S	Bend	trans	-63.4	161	170.3	30.1	-35.1	0	0	0	110.8	M286	P284-M286 PolarHBondContact O-N 3.18Å
285	P	88.2	Confident	91.4	Very high	82 Å²	82	41.5 Å²	41.5	53%	0.532	25%	0.248	S	C	.	.			trans	-54.8	136.9	173.2	-24.4	34.2	0	0	0	111.9	M275 G276	M275-P285 HydrophobicContact CE-CB 4.23Å; M275-P285 WeakPolarHBondContact CE-O 3.25Å; G276-P285 CarbonylContact O-C 2.94Å; G276-P285 VanDerWaalsContact O-CA 3.24Å; G276-P285 WeakPolarHBondContact O-CA 2.79Å
286	M	91.8	Very high	91.5	Very high	22 Å²	22	41.3 Å²	41.3	11%	0.108	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152.2	176.5	-69.8	177	67.3	0	0	110.2	W242 M275 G276 H278 P284	W242-M286 HydrophobicContact CB-CE 3.76Å; W242-M286 HydrophobicContact CE3-CB 4.14Å; M275-M286 VanDerWaalsContact CE-C 3.47Å; G276-M286 PolarHBondContact N-O 3.35Å; G276-M286 PolarHBondContact O-N 3.48Å; H278-M286 HydrophobicContact CB-SD 3.72Å; P284-M286 PolarHBondContact O-N 3.18Å
287	A	92.6	Very high	91.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140	169.3	0	0	0	0	0	109	W242 L243 M260 F264 I273 T274 M275	W242-A287 CarbonylContact C-O 2.95Å; W242-A287 VanDerWaalsContact CA-O 3.31Å; W242-A287 WeakPolarHBondContact CA-O 3.28Å; L243-A287 HydrophobicContact CB-CB 4.36Å; L243-A287 PolarHBondContact N-O 3.09Å; L243-A287 PolarHBondContact O-N 3.15Å; L243-A287 VanDerWaalsContact O-N 3.1Å; M260-A287 HydrophobicContact CE-CB 4.05Å; M260-A287 HydrophobicContact SD-CB 4.21Å; F264-A287 HydrophobicContact CE2-CB 4.12Å; F264-A287 HydrophobicContact CZ-CB 4.09Å; I273-A287 HydrophobicContact CG2-CB 4.3Å; T274-A287 CarbonylContact O-C 3.58Å; M275-A287 HydrophobicContact SD-CB 3.81Å
288	S	94	Very high	91.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.7	-178.8	-175.6	0	0	0	0	111.2	R240 M241 I273 T274 H290	R240-S288 PolarHBondContact NE-OG 3.33Å; M241-S288 VanDerWaalsContact O-CA 3.3Å; M241-S288 WeakPolarHBondContact O-CA 3.25Å; M241-S288 PolarHBondContact O-OG 3.21Å; I273-S288 WeakPolarHBondContact CA-O 3.33Å; T274-S288 PolarHBondContact N-O 2.88Å; T274-S288 PolarHBondContact O-N 2.87Å; T274-S288 PolarHBondContact OG1-O 3.24Å; S288-H290 PolarHBondContact O-N 2.69Å
289	I	93.5	Very high	91.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.6	170.6	-56	175.7	0	0	0	107.3	M241 L243 T272 V325 V328	M241-I289 HydrophobicContact CB-CB 4.36Å; M241-I289 HydrophobicContact CB-CD1 4.13Å; M241-I289 HydrophobicContact CB-CG1 4.38Å; M241-I289 HydrophobicContact CG-CD1 4.22Å; M241-I289 PolarHBondContact O-N 3.32Å; M241-I289 VanDerWaalsContact O-N 3.12Å; L243-I289 HydrophobicContact CD1-CD1 4.47Å; L243-I289 HydrophobicContact CD1-CG1 4.2Å; T272-I289 CarbonylContact O-C 3.59Å; I289-V325 HydrophobicContact CD1-CB 4.37Å; I289-V325 HydrophobicContact CD1-CG1 3.63Å; I289-V325 HydrophobicContact CD1-CG2 4.12Å; I289-V328 HydrophobicContact CD1-CB 4.06Å; I289-V328 HydrophobicContact CD1-CG1 3.87Å; I289-V328 HydrophobicContact CG1-CG1 4.17Å
290	H	92	Very high	91.4	Very high	46 Å²	46	40 Å²	40	21%	0.213	23%	0.229	C	C	.	.			trans	-69.7	127.1	-170.4	-164.1	-87.6	0	0	0	111.4	Y236 T272 T274 S288 C292 H294	Y236-H290 AromaticContact CZ-CE1 3.99Å; T272-H290 WeakPolarHBondContact O-CB 2.78Å; T272-H290 PolarHBondContact O-N 2.88Å; T274-H290 HydrophobicContact CG2-CB 4.42Å; S288-H290 PolarHBondContact O-N 2.69Å; H290-C292 PolarHBondContact ND1-N 2.9Å; H290-C292 PolarHBondContact ND1-SG 2.7Å; H290-C292 PolarHBondContact O-N 3.42Å; H290-H294 PolarHBondContact O-NE2 2.98Å
291	P	93.2	Very high	91.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-80.8	-4.6	-167	30.5	-36.8	0	0	0	116.4	D233 Y236 V238 R240 R293 H294	D233-P291 HydrophobicContact CB-CG 4.32Å; Y236-P291 HydrophobicContact CD2-CB 4.22Å; Y236-P291 HydrophobicContact CD2-CG 3.46Å; Y236-P291 VanDerWaalsContact CD2-CG 3.46Å; Y236-P291 HydrophobicContact CE2-CG 3.96Å; Y236-P291 HydrophobicContact CG-CB 4.39Å; Y236-P291 HydrophobicContact CG-CG 4.1Å; V238-P291 HydrophobicContact CG2-CB 3.58Å; R240-P291 HydrophobicContact CB-CB 4.45Å; R240-P291 HydrophobicContact CB-CG 4.49Å; R240-P291 HydrophobicContact CG-CG 4.27Å; P291-R293 PolarHBondContact O-N 2.57Å; P291-R293 VanDerWaalsContact O-N 3.07Å; P291-H294 WeakPolarHBondContact O-CB 2.95Å; P291-H294 PolarHBondContact O-N 2.99Å
292	C	91.1	Very high	90.9	Very high	60 Å²	60	38.7 Å²	38.7	41%	0.405	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-55.3	-32.6	-170.3	58.5	0	0	0	0	115.2	Y236 H290	Y236-C292 HydrophobicContact CD1-CB 4.4Å; Y236-C292 HydrophobicContact CE1-CB 3.71Å; H290-C292 PolarHBondContact ND1-N 2.9Å; H290-C292 PolarHBondContact ND1-SG 2.7Å; H290-C292 PolarHBondContact O-N 3.42Å
293	R	90.1	Very high	91	Very high	87 Å²	87	36.8 Å²	36.8	33%	0.328	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-97.7	-4.3	179.1	-63.9	-66	-174.4	175.8	-1.6	113.6	W127 P291 A295 E296 T297	W127-R293 HydrophobicContact CZ2-CB 4.07Å; P291-R293 PolarHBondContact O-N 2.57Å; P291-R293 VanDerWaalsContact O-N 3.07Å; R293-A295 PolarHBondContact O-N 3.38Å; R293-E296 VanDerWaalsContact CD-OE2 3.29Å; R293-E296 WeakPolarHBondContact CD-OE2 3.44Å; R293-E296 IonicContact CZ-OE2 3.26Å; R293-E296 IonicContact NE-OE2 3.44Å; R293-E296 IonicContact NH1-OE2 2.82Å; R293-E296 PolarHBondContact NH1-OE2 2.85Å; R293-E296 PolarHBondContact O-N 3.07Å; R293-T297 PolarHBondContact O-N 3.46Å; R293-T297 PolarHBondContact O-OG1 2.76Å
294	H	93.2	Very high	91.1	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-41.4	-173.2	-67.9	-178.1	0	0	0	112.4	V238 P239 H290 P291 T297 M298 F321 F324	V238-H294 HydrophobicContact CB-CB 4.12Å; V238-H294 HydrophobicContact CG1-CB 4.27Å; V238-H294 HydrophobicContact CG2-CB 3.96Å; P239-H294 PolarHBondContact O-CE1 2.92Å; P239-H294 PolarHBondContact O-ND1 3Å; H290-H294 PolarHBondContact O-NE2 2.98Å; P291-H294 WeakPolarHBondContact O-CB 2.95Å; P291-H294 PolarHBondContact O-N 2.99Å; H294-T297 PolarHBondContact O-N 2.86Å; H294-M298 WeakPolarHBondContact O-CB 3.39Å; H294-M298 VanDerWaalsContact O-CG 3.23Å; H294-M298 WeakPolarHBondContact O-CG 3.48Å; H294-M298 PolarHBondContact O-N 3.23Å; H294-F321 AromaticContact CE1-CE2 3.52Å; H294-F321 AromaticContact ND1-CE2 3.54Å; H294-F324 AromaticContact CD2-CE1 3.71Å; H294-F324 AromaticContact NE2-CE1 3.66Å
295	A	94.4	Very high	91.1	Very high	21 Å²	21	32.1 Å²	32.1	17%	0.174	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-47.7	179.2	0	0	0	0	0	111.3	S31 V33 V238 R293 T297 M298 K299	S31-A295 CarbonylContact O-C 3.57Å; V33-A295 HydrophobicContact CG1-CB 3.74Å; V238-A295 HydrophobicContact CG1-CB 3.92Å; R293-A295 PolarHBondContact O-N 3.38Å; A295-T297 PolarHBondContact O-N 3.21Å; A295-M298 PolarHBondContact O-N 2.72Å; A295-K299 WeakPolarHBondContact O-CB 3.44Å; A295-K299 PolarHBondContact O-N 3.26Å
296	E	93.2	Very high	91	Very high	61 Å²	61	31.4 Å²	31.4	29%	0.285	17%	0.166	S	C	.	.	H	α-helix	trans	-58.9	-46.5	177.1	-173.5	-173.5	164.7	0	0	111.7	R293 K299 R300	R293-E296 VanDerWaalsContact CD-OE2 3.29Å; R293-E296 WeakPolarHBondContact CD-OE2 3.44Å; R293-E296 IonicContact CZ-OE2 3.26Å; R293-E296 IonicContact NE-OE2 3.44Å; R293-E296 IonicContact NH1-OE2 2.82Å; R293-E296 PolarHBondContact NH1-OE2 2.85Å; R293-E296 PolarHBondContact O-N 3.07Å; E296-K299 PolarHBondContact O-N 3.25Å; E296-R300 PolarHBondContact O-N 2.85Å; E296-R300 IonicContact OE1-CZ 3.89Å; E296-R300 IonicContact OE1-NH1 3.78Å; E296-R300 PolarHBondContact OE1-NH1 3.21Å; E296-R300 IonicContact OE1-NH2 3.57Å; E296-R300 PolarHBondContact OE1-NH2 2.77Å
297	T	91	Very high	90.8	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-45.9	176.7	-49.8	0	0	0	0	111.8	W127 R293 H294 A295 K299 R300 L301 F324	W127-T297 HydrophobicContact CH2-CG2 3.62Å; W127-T297 WeakPolarHBondContact CH2-OG1 3.27Å; W127-T297 HydrophobicContact CZ3-CG2 3.75Å; W127-T297 WeakPolarHBondContact CZ3-OG1 3.28Å; R293-T297 PolarHBondContact O-N 3.46Å; R293-T297 PolarHBondContact O-OG1 2.76Å; H294-T297 PolarHBondContact O-N 2.86Å; A295-T297 PolarHBondContact O-N 3.21Å; T297-K299 VanDerWaalsContact C-N 3.33Å; T297-K299 PolarHBondContact O-N 3.13Å; T297-R300 PolarHBondContact O-N 2.72Å; T297-L301 HydrophobicContact CG2-CD1 4.38Å; T297-L301 WeakPolarHBondContact O-CG 3.26Å; T297-L301 PolarHBondContact O-N 3.16Å; T297-F324 HydrophobicContact CG2-CD2 4.24Å
298	M	92	Very high	90.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-38.7	179.8	-71.4	-63.4	-81.2	0	0	111.2	H294 A295 R300 L301 I302 F312 Y317 V320	H294-M298 WeakPolarHBondContact O-CB 3.39Å; H294-M298 VanDerWaalsContact O-CG 3.23Å; H294-M298 WeakPolarHBondContact O-CG 3.48Å; H294-M298 PolarHBondContact O-N 3.23Å; A295-M298 PolarHBondContact O-N 2.72Å; M298-R300 PolarHBondContact O-N 3.48Å; M298-L301 PolarHBondContact O-N 2.79Å; M298-L301 HydrophobicContact SD-CD1 4.09Å; M298-I302 WeakPolarHBondContact O-CD1 3.45Å; M298-I302 WeakPolarHBondContact O-CG1 3.39Å; M298-I302 PolarHBondContact O-N 2.99Å; M298-F312 HydrophobicContact CE-CE1 4.13Å; M298-F312 HydrophobicContact CE-CZ 3.82Å; M298-Y317 HydrophobicContact CB-CE2 4.25Å; M298-Y317 HydrophobicContact CE-CD1 3.6Å; M298-Y317 HydrophobicContact CE-CD2 3.56Å; M298-Y317 HydrophobicContact CE-CE1 3.57Å; M298-Y317 HydrophobicContact CE-CE2 3.56Å; M298-Y317 HydrophobicContact CE-CG 3.59Å; M298-Y317 WeakPolarHBondContact CE-O 3.5Å; M298-Y317 HydrophobicContact CG-CE1 4.21Å; M298-Y317 HydrophobicContact CG-CE2 4.17Å; M298-Y317 WeakPolarHBondContact CG-OH 3.18Å; M298-V320 HydrophobicContact CE-CB 4.15Å; M298-V320 HydrophobicContact CE-CG1 4.06Å; M298-V320 HydrophobicContact SD-CG1 3.92Å
299	K	93	Very high	90.2	Very high	50 Å²	50	45.6 Å²	45.6	22%	0.217	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-47.1	174.4	-177.8	56.9	169.8	82.3	0	111.9	R29 E30 A295 E296 T297 L301 I302 D303	R29-K299 WeakPolarHBondContact O-CD 3.31Å; R29-K299 WeakPolarHBondContact O-CE 3.27Å; E30-K299 WeakPolarHBondContact O-CD 3.41Å; E30-K299 WeakPolarHBondContact O-CE 3.5Å; A295-K299 WeakPolarHBondContact O-CB 3.44Å; A295-K299 PolarHBondContact O-N 3.26Å; E296-K299 PolarHBondContact O-N 3.25Å; T297-K299 VanDerWaalsContact C-N 3.33Å; T297-K299 PolarHBondContact O-N 3.13Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 3.42Å; K299-I302 WeakPolarHBondContact O-CB 3.34Å; K299-I302 PolarHBondContact O-N 3.48Å; K299-D303 IonicContact NZ-OD1 3.44Å; K299-D303 PolarHBondContact NZ-OD1 2.93Å; K299-D303 IonicContact NZ-OD2 3.42Å; K299-D303 PolarHBondContact NZ-OD2 2.95Å; K299-D303 PolarHBondContact O-N 3.15Å
300	R	90.4	Very high	89.6	Confident	89 Å²	89	48.4 Å²	48.4	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-40.7	176.2	-72.8	-176.2	179	138.5	6.1	112.4	E296 T297 M298 D303 T304	E296-R300 PolarHBondContact O-N 2.85Å; E296-R300 IonicContact OE1-CZ 3.89Å; E296-R300 IonicContact OE1-NH1 3.78Å; E296-R300 PolarHBondContact OE1-NH1 3.21Å; E296-R300 IonicContact OE1-NH2 3.57Å; E296-R300 PolarHBondContact OE1-NH2 2.77Å; T297-R300 PolarHBondContact O-N 2.72Å; M298-R300 PolarHBondContact O-N 3.48Å; R300-D303 PolarHBondContact O-N 3.04Å; R300-T304 WeakPolarHBondContact O-CB 3.49Å; R300-T304 PolarHBondContact O-N 3.18Å; R300-T304 PolarHBondContact O-OG1 3.3Å
301	L	87.5	Confident	89	Confident	15 Å²	15	53.2 Å²	53.2	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-44.2	175.8	-71	170.2	0	0	0	111.5	H131 T297 M298 K299 D303 T304 F305 V320	H131-L301 HydrophobicContact CB-CD2 4Å; T297-L301 HydrophobicContact CG2-CD1 4.38Å; T297-L301 WeakPolarHBondContact O-CG 3.26Å; T297-L301 PolarHBondContact O-N 3.16Å; M298-L301 PolarHBondContact O-N 2.79Å; M298-L301 HydrophobicContact SD-CD1 4.09Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 3.42Å; L301-D303 VanDerWaalsContact C-N 3.34Å; L301-D303 PolarHBondContact O-N 2.73Å; L301-T304 PolarHBondContact O-N 3.36Å; L301-F305 WeakPolarHBondContact O-CD2 3.48Å; L301-F305 PolarHBondContact O-N 3.25Å; L301-V320 HydrophobicContact CD1-CG1 3.68Å
302	I	88.3	Confident	88.6	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.046	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-48.5	175.7	-66.7	159.8	0	0	0	110.8	F28 M298 K299 T304 F305 A306 F312	F28-I302 HydrophobicContact CD2-CD1 3.76Å; F28-I302 HydrophobicContact CE1-CD1 4.26Å; F28-I302 HydrophobicContact CE1-CG1 4.44Å; F28-I302 HydrophobicContact CE2-CD1 3.46Å; F28-I302 VanDerWaalsContact CE2-CD1 3.46Å; F28-I302 HydrophobicContact CE2-CG1 3.95Å; F28-I302 HydrophobicContact CG-CD1 4.3Å; F28-I302 HydrophobicContact CZ-CD1 3.75Å; F28-I302 HydrophobicContact CZ-CG1 3.83Å; F28-I302 WeakPolarHBondContact O-CD1 3.43Å; M298-I302 WeakPolarHBondContact O-CD1 3.45Å; M298-I302 WeakPolarHBondContact O-CG1 3.39Å; M298-I302 PolarHBondContact O-N 2.99Å; K299-I302 WeakPolarHBondContact O-CB 3.34Å; K299-I302 PolarHBondContact O-N 3.48Å; I302-T304 PolarHBondContact O-N 3.35Å; I302-F305 PolarHBondContact O-N 3.39Å; I302-A306 PolarHBondContact O-N 2.99Å; I302-F312 HydrophobicContact CB-CD1 4.24Å; I302-F312 HydrophobicContact CD1-CD1 4.5Å; I302-F312 HydrophobicContact CD1-CE1 4.38Å; I302-F312 HydrophobicContact CG1-CD1 3.36Å; I302-F312 HydrophobicContact CG1-CE1 3.56Å
303	D	90.3	Very high	88.6	Confident	61 Å²	61	53 Å²	53	33%	0.326	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-45.8	-179.6	-68.3	-21.9	0	0	0	111.4	K299 R300 L301 F305 A306 E307	K299-D303 IonicContact NZ-OD1 3.44Å; K299-D303 PolarHBondContact NZ-OD1 2.93Å; K299-D303 IonicContact NZ-OD2 3.42Å; K299-D303 PolarHBondContact NZ-OD2 2.95Å; K299-D303 PolarHBondContact O-N 3.15Å; R300-D303 PolarHBondContact O-N 3.04Å; L301-D303 VanDerWaalsContact C-N 3.34Å; L301-D303 PolarHBondContact O-N 2.73Å; D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.04Å; D303-A306 WeakPolarHBondContact O-CB 3.41Å; D303-A306 PolarHBondContact O-N 3.28Å; D303-A306 VanDerWaalsContact O-N 3.15Å; D303-E307 WeakPolarHBondContact O-CG 3.35Å; D303-E307 PolarHBondContact O-N 2.92Å
304	T	87.8	Confident	88.8	Confident	46 Å²	46	50.4 Å²	50.4	28%	0.282	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-36	179.7	-47.8	0	0	0	0	111.4	V135 R300 L301 I302 N308	V135-T304 HydrophobicContact CB-CG2 4.48Å; V135-T304 HydrophobicContact CG2-CG2 3.16Å; R300-T304 WeakPolarHBondContact O-CB 3.49Å; R300-T304 PolarHBondContact O-N 3.18Å; R300-T304 PolarHBondContact O-OG1 3.3Å; L301-T304 PolarHBondContact O-N 3.36Å; I302-T304 PolarHBondContact O-N 3.35Å; T304-N308 PolarHBondContact O-N 3.04Å; T304-N308 PolarHBondContact O-ND2 3Å
305	F	85.2	Confident	88.7	Confident	5 Å²	5	53 Å²	53	2%	0.022	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-43.3	175.3	-85.1	-131.3	0	0	0	111.9	F138 L301 I302 D303 E307 N308 G309 K310 F312	F138-F305 HydrophobicContact CB-CE1 4.08Å; F138-F305 HydrophobicContact CB-CZ 3.79Å; F138-F305 HydrophobicContact CD1-CD1 4.11Å; F138-F305 AromaticContact CD1-CE1 3.12Å; F138-F305 HydrophobicContact CD1-CE1 3.12Å; F138-F305 AromaticContact CD1-CZ 3.59Å; F138-F305 HydrophobicContact CD1-CZ 3.59Å; F138-F305 AromaticContact CD2-CE1 3.83Å; F138-F305 HydrophobicContact CD2-CE1 3.83Å; F138-F305 AromaticContact CD2-CZ 3.4Å; F138-F305 HydrophobicContact CD2-CZ 3.4Å; F138-F305 HydrophobicContact CE1-CD1 4.37Å; F138-F305 AromaticContact CE1-CE1 3.33Å; F138-F305 HydrophobicContact CE1-CE1 3.33Å; F138-F305 AromaticContact CE1-CZ 3.96Å; F138-F305 HydrophobicContact CE1-CZ 3.96Å; F138-F305 AromaticContact CE2-CE1 3.99Å; F138-F305 HydrophobicContact CE2-CE1 3.99Å; F138-F305 AromaticContact CE2-CZ 3.77Å; F138-F305 HydrophobicContact CE2-CZ 3.77Å; F138-F305 AromaticContact CG-CE1 3.38Å; F138-F305 HydrophobicContact CG-CE1 3.38Å; F138-F305 HydrophobicContact CG-CE2 4.41Å; F138-F305 AromaticContact CG-CZ 3.28Å; F138-F305 HydrophobicContact CG-CZ 3.28Å; F138-F305 AromaticContact CZ-CE1 3.74Å; F138-F305 HydrophobicContact CZ-CE1 3.74Å; F138-F305 HydrophobicContact CZ-CZ 4.02Å; L301-F305 WeakPolarHBondContact O-CD2 3.48Å; L301-F305 PolarHBondContact O-N 3.25Å; I302-F305 PolarHBondContact O-N 3.39Å; D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.04Å; F305-E307 VanDerWaalsContact C-N 3.35Å; F305-E307 PolarHBondContact O-N 3.46Å; F305-N308 CarbonylContact O-C 3.55Å; F305-N308 PolarHBondContact O-N 2.65Å; F305-N308 VanDerWaalsContact O-N 3.15Å; F305-G309 PolarHBondContact O-N 3.3Å; F305-K310 CarbonylContact C-O 3.58Å; F305-K310 HydrophobicContact CB-CB 4.4Å; F305-K310 HydrophobicContact CD1-CB 4.19Å; F305-K310 PolarHBondContact O-N 2.97Å; F305-F312 HydrophobicContact CB-CB 4.25Å; F305-F312 HydrophobicContact CD1-CB 3.81Å; F305-F312 HydrophobicContact CD1-CG 4.36Å; F305-F312 HydrophobicContact CE1-CB 4.36Å; F305-F312 HydrophobicContact CE1-CG 4.48Å; F305-F312 HydrophobicContact CG-CB 4.27Å
306	A	86	Confident	88.6	Confident	67 Å²	67	52.5 Å²	52.5	55%	0.554	28%	0.284	S	S	*	.	H	α-helix	trans	-61.4	-42.9	177.3	0	0	0	0	0	111.6	I302 D303 N308 G309	I302-A306 PolarHBondContact O-N 2.99Å; D303-A306 WeakPolarHBondContact O-CB 3.41Å; D303-A306 PolarHBondContact O-N 3.28Å; D303-A306 VanDerWaalsContact O-N 3.15Å; A306-N308 PolarHBondContact O-N 3.42Å; A306-G309 PolarHBondContact O-N 3.23Å
307	E	89.1	Confident	88.7	Confident	158 Å²	158	49.6 Å²	49.6	74%	0.738	27%	0.27	S	S	*	.	H	α-helix	trans	-60.2	-33.5	175.2	-73.4	175.7	-178.8	0	0	112.7	D303 F305 G309	D303-E307 WeakPolarHBondContact O-CG 3.35Å; D303-E307 PolarHBondContact O-N 2.92Å; F305-E307 VanDerWaalsContact C-N 3.35Å; F305-E307 PolarHBondContact O-N 3.46Å; E307-G309 VanDerWaalsContact C-N 3.28Å; E307-G309 PolarHBondContact O-N 3.13Å
308	N	87.6	Confident	88.9	Confident	90 Å²	90	49 Å²	49	48%	0.481	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	10.1	178.1	-72	-72.8	0	0	0	113.5	V135 T304 F305 A306 K310	V135-N308 HydrophobicContact CG1-CB 3.55Å; V135-N308 WeakPolarHBondContact CG1-ND2 3.18Å; T304-N308 PolarHBondContact O-N 3.04Å; T304-N308 PolarHBondContact O-ND2 3Å; F305-N308 CarbonylContact O-C 3.55Å; F305-N308 PolarHBondContact O-N 2.65Å; F305-N308 VanDerWaalsContact O-N 3.15Å; A306-N308 PolarHBondContact O-N 3.42Å; N308-K310 VanDerWaalsContact C-N 3.25Å; N308-K310 PolarHBondContact O-N 3.42Å
309	G	84.4	Confident	88.9	Confident	72 Å²	72	49.4 Å²	49.4	74%	0.742	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	23	178.2	0	0	0	0	0	114	F305 A306 E307	F305-G309 PolarHBondContact O-N 3.3Å; A306-G309 PolarHBondContact O-N 3.23Å; E307-G309 VanDerWaalsContact C-N 3.28Å; E307-G309 PolarHBondContact O-N 3.13Å
310	K	81.2	Confident	88.8	Confident	58 Å²	58	47.2 Å²	47.2	25%	0.252	26%	0.26	S	S	.	.			trans	-103	141.7	177.7	-64.8	179.4	-178.9	176.9	0	109.9	V135 F138 F305 N308	V135-K310 PolarHBondContact O-NZ 3.49Å; F138-K310 WeakPolarHBondContact O-CD 3.19Å; F138-K310 WeakPolarHBondContact O-CE 3.2Å; F138-K310 PolarHBondContact O-NZ 2.96Å; F305-K310 CarbonylContact C-O 3.58Å; F305-K310 HydrophobicContact CB-CB 4.4Å; F305-K310 HydrophobicContact CD1-CB 4.19Å; F305-K310 PolarHBondContact O-N 2.97Å; N308-K310 VanDerWaalsContact C-N 3.25Å; N308-K310 PolarHBondContact O-N 3.42Å
311	E	80	Confident	89	Confident	148 Å²	148	43 Å²	43	69%	0.692	24%	0.244	S	C	*	.			trans	-86.3	131.4	172.8	-67.9	-176.8	165	0	0	109.8
312	F	85.2	Confident	89.2	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.013	24%	0.241	C	C	.	.			trans	-119.2	115.3	169	-177.9	-148	0	0	0	107.9	F28 R29 M298 I302 F305 Q316 V320	F28-F312 WeakPolarHBondContact CE1-O 3.43Å; F28-F312 HydrophobicContact CE2-CD1 4.25Å; F28-F312 AromaticContact CE2-CE1 3.74Å; F28-F312 HydrophobicContact CE2-CE1 3.74Å; F28-F312 HydrophobicContact CE2-CZ 4.08Å; F28-F312 AromaticContact CZ-CD1 3.58Å; F28-F312 HydrophobicContact CZ-CD1 3.58Å; F28-F312 HydrophobicContact CZ-CD2 4.41Å; F28-F312 AromaticContact CZ-CE1 3.52Å; F28-F312 HydrophobicContact CZ-CE1 3.52Å; F28-F312 HydrophobicContact CZ-CE2 4.37Å; F28-F312 HydrophobicContact CZ-CG 4.01Å; F28-F312 AromaticContact CZ-CZ 3.93Å; F28-F312 HydrophobicContact CZ-CZ 3.93Å; R29-F312 PolarHBondContact NH1-O 3.3Å; M298-F312 HydrophobicContact CE-CE1 4.13Å; M298-F312 HydrophobicContact CE-CZ 3.82Å; I302-F312 HydrophobicContact CB-CD1 4.24Å; I302-F312 HydrophobicContact CD1-CD1 4.5Å; I302-F312 HydrophobicContact CD1-CE1 4.38Å; I302-F312 HydrophobicContact CG1-CD1 3.36Å; I302-F312 HydrophobicContact CG1-CE1 3.56Å; F305-F312 HydrophobicContact CB-CB 4.25Å; F305-F312 HydrophobicContact CD1-CB 3.81Å; F305-F312 HydrophobicContact CD1-CG 4.36Å; F305-F312 HydrophobicContact CE1-CB 4.36Å; F305-F312 HydrophobicContact CE1-CG 4.48Å; F305-F312 HydrophobicContact CG-CB 4.27Å; F312-Q316 HydrophobicContact CD2-CB 4Å; F312-Q316 HydrophobicContact CE2-CB 3.7Å; F312-V320 HydrophobicContact CD2-CG2 4.22Å; F312-V320 HydrophobicContact CE2-CB 4.06Å; F312-V320 HydrophobicContact CE2-CG2 3.37Å; F312-V320 HydrophobicContact CZ-CB 3.76Å; F312-V320 HydrophobicContact CZ-CG1 4.06Å; F312-V320 HydrophobicContact CZ-CG2 3.59Å
313	D	91	Very high	89.1	Confident	53 Å²	53	44.4 Å²	44.4	28%	0.283	25%	0.249	S	C	.	.			trans	-103.3	153.5	-178.8	-74.6	-32.6	0	0	0	111.6	R29 H315 Q316	R29-D313 IonicContact NH2-OD1 3.16Å; R29-D313 PolarHBondContact NH2-OD1 3.4Å; D313-H315 VanDerWaalsContact C-N 3.25Å; D313-H315 WeakPolarHBondContact CB-CE1 3.33Å; D313-H315 VanDerWaalsContact CB-ND1 3.35Å; D313-H315 WeakPolarHBondContact CB-ND1 3.49Å; D313-H315 PolarHBondContact O-N 3.39Å; D313-H315 IonicContact OD2-CE1 3.32Å; D313-H315 PolarHBondContact OD2-CE1 3.49Å; D313-Q316 WeakPolarHBondContact O-CB 2.87Å; D313-Q316 PolarHBondContact O-N 2.7Å
314	V	93.2	Very high	88.9	Confident	33 Å²	33	41.7 Å²	41.7	20%	0.2	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.4	-30.4	-174.3	72.8	0	0	0	0	113.5	F28 I34 E38 Q316 Y317	F28-V314 HydrophobicContact CB-CG2 4.22Å; F28-V314 HydrophobicContact CD1-CB 4.09Å; F28-V314 HydrophobicContact CD1-CG2 4.44Å; F28-V314 HydrophobicContact CD2-CG2 4.22Å; F28-V314 HydrophobicContact CE1-CB 4.39Å; F28-V314 HydrophobicContact CG-CB 4.2Å; F28-V314 HydrophobicContact CG-CG2 4.03Å; I34-V314 HydrophobicContact CG2-CG2 3.84Å; E38-V314 HydrophobicContact CB-CG2 3.71Å; E38-V314 HydrophobicContact CG-CG1 4.29Å; E38-V314 HydrophobicContact CG-CG2 3.76Å; V314-Q316 PolarHBondContact O-N 2.84Å; V314-Y317 WeakPolarHBondContact O-CB 3.45Å; V314-Y317 PolarHBondContact O-N 2.99Å
315	H	92.2	Very high	89	Confident	57 Å²	57	39.5 Å²	39.5	26%	0.264	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.3	-20.9	176.9	65.6	-91.3	0	0	0	112.7	A42 H45 D313 Y317	A42-H315 WeakPolarHBondContact CA-O 3.35Å; H45-H315 HydrophobicContact CB-CB 4.22Å; H45-H315 WeakPolarHBondContact CB-O 3.49Å; H45-H315 AromaticContact CD2-CD2 3.79Å; H45-H315 AromaticContact CE1-CD2 3.67Å; H45-H315 AromaticContact CG-CD2 3.82Å; H45-H315 AromaticContact ND1-CD2 3.75Å; H45-H315 PolarHBondContact ND1-O 3.25Å; H45-H315 AromaticContact NE2-CD2 3.71Å; D313-H315 VanDerWaalsContact C-N 3.25Å; D313-H315 WeakPolarHBondContact CB-CE1 3.33Å; D313-H315 VanDerWaalsContact CB-ND1 3.35Å; D313-H315 WeakPolarHBondContact CB-ND1 3.49Å; D313-H315 PolarHBondContact O-N 3.39Å; D313-H315 IonicContact OD2-CE1 3.32Å; D313-H315 PolarHBondContact OD2-CE1 3.49Å; H315-Y317 VanDerWaalsContact C-N 3.33Å
316	Q	91.6	Very high	89.1	Confident	12 Å²	12	40.3 Å²	40.3	6%	0.056	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-86.6	-4.5	176.7	-57.3	179.1	9.8	0	0	112.8	F312 D313 V314 L318 V319 V320	F312-Q316 HydrophobicContact CD2-CB 4Å; F312-Q316 HydrophobicContact CE2-CB 3.7Å; D313-Q316 WeakPolarHBondContact O-CB 2.87Å; D313-Q316 PolarHBondContact O-N 2.7Å; V314-Q316 PolarHBondContact O-N 2.84Å; Q316-L318 VanDerWaalsContact C-N 3.33Å; Q316-L318 PolarHBondContact O-N 3.47Å; Q316-V319 PolarHBondContact O-N 3.34Å; Q316-V319 VanDerWaalsContact O-N 3.08Å; Q316-V320 PolarHBondContact O-N 3.44Å; Q316-V320 VanDerWaalsContact O-N 3.17Å
317	Y	95.4	Very high	89	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-50	-50.3	-173.1	-168.9	-72	0	0	0	112.7	F28 G32 I34 P239 M298 V314 H315 V319 V320 F321	F28-Y317 AromaticContact CD2-CD2 3.57Å; F28-Y317 HydrophobicContact CD2-CD2 3.57Å; F28-Y317 AromaticContact CD2-CE2 3.86Å; F28-Y317 HydrophobicContact CD2-CE2 3.86Å; F28-Y317 AromaticContact CE2-CD2 3.48Å; F28-Y317 HydrophobicContact CE2-CD2 3.48Å; F28-Y317 VanDerWaalsContact CE2-CD2 3.48Å; F28-Y317 HydrophobicContact CE2-CE2 4.01Å; G32-Y317 VanDerWaalsContact O-CE2 3.23Å; G32-Y317 WeakPolarHBondContact O-CE2 3.32Å; G32-Y317 PolarHBondContact O-OH 3.44Å; I34-Y317 HydrophobicContact CD1-CD1 3.95Å; I34-Y317 HydrophobicContact CD1-CD2 4.39Å; I34-Y317 HydrophobicContact CD1-CE1 4.07Å; I34-Y317 HydrophobicContact CD1-CE2 4.47Å; I34-Y317 HydrophobicContact CD1-CG 4.14Å; I34-Y317 HydrophobicContact CG2-CD2 3.36Å; I34-Y317 HydrophobicContact CG2-CE2 3.41Å; I34-Y317 VanDerWaalsContact CG2-CE2 3.41Å; I34-Y317 HydrophobicContact CG2-CG 4.07Å; P239-Y317 HydrophobicContact CG-CD1 3.8Å; P239-Y317 HydrophobicContact CG-CE1 3.45Å; P239-Y317 VanDerWaalsContact CG-CE1 3.45Å; M298-Y317 HydrophobicContact CB-CE2 4.25Å; M298-Y317 HydrophobicContact CE-CD1 3.6Å; M298-Y317 HydrophobicContact CE-CD2 3.56Å; M298-Y317 HydrophobicContact CE-CE1 3.57Å; M298-Y317 HydrophobicContact CE-CE2 3.56Å; M298-Y317 HydrophobicContact CE-CG 3.59Å; M298-Y317 WeakPolarHBondContact CE-O 3.5Å; M298-Y317 HydrophobicContact CG-CE1 4.21Å; M298-Y317 HydrophobicContact CG-CE2 4.17Å; M298-Y317 WeakPolarHBondContact CG-OH 3.18Å; V314-Y317 WeakPolarHBondContact O-CB 3.45Å; V314-Y317 PolarHBondContact O-N 2.99Å; H315-Y317 VanDerWaalsContact C-N 3.33Å; Y317-V319 PolarHBondContact O-N 2.54Å; Y317-V320 PolarHBondContact O-N 3.41Å; Y317-F321 HydrophobicContact CD1-CB 4.39Å; Y317-F321 HydrophobicContact CE1-CB 4.46Å; Y317-F321 WeakPolarHBondContact O-CB 3.48Å; Y317-F321 PolarHBondContact O-N 2.82Å
318	L	96.1	Very high	88.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-32.7	-176.5	-71.6	-176.1	0	0	0	113.3	F39 A42 L46 L74 I230 P239 Q316 V320 F321 L322	F39-L318 HydrophobicContact CD2-CD2 4.39Å; F39-L318 HydrophobicContact CE2-CD1 4.35Å; F39-L318 HydrophobicContact CE2-CD2 4.21Å; A42-L318 HydrophobicContact CB-CB 4.38Å; A42-L318 HydrophobicContact CB-CD1 4.18Å; A42-L318 HydrophobicContact CB-CG 3.85Å; L46-L318 HydrophobicContact CB-CB 4.38Å; L46-L318 HydrophobicContact CD2-CB 4.2Å; L46-L318 HydrophobicContact CD2-CD1 4.25Å; L74-L318 HydrophobicContact CD1-CD1 3.34Å; I230-L318 HydrophobicContact CG2-CD2 4.15Å; P239-L318 HydrophobicContact CB-CD2 3.71Å; P239-L318 HydrophobicContact CG-CD2 3.42Å; P239-L318 VanDerWaalsContact CG-CD2 3.42Å; Q316-L318 VanDerWaalsContact C-N 3.33Å; Q316-L318 PolarHBondContact O-N 3.47Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-F321 HydrophobicContact CD2-CD1 4.23Å; L318-F321 PolarHBondContact O-N 2.76Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 VanDerWaalsContact O-CG 3.22Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3Å
319	V	92	Very high	89	Confident	11 Å²	11	26.3 Å²	26.3	7%	0.067	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-41.6	176	178.6	0	0	0	0	110.1	L46 L49 Q316 Y317 L322 K323	L46-V319 HydrophobicContact CD1-CG2 4.23Å; L49-V319 HydrophobicContact CD1-CG2 3.96Å; Q316-V319 PolarHBondContact O-N 3.34Å; Q316-V319 VanDerWaalsContact O-N 3.08Å; Y317-V319 PolarHBondContact O-N 2.54Å; V319-L322 PolarHBondContact O-N 3.46Å; V319-K323 PolarHBondContact O-N 3.13Å
320	V	90.6	Very high	89.2	Confident	5 Å²	5	24.2 Å²	24.2	3%	0.03	12%	0.122	C	C	.	.	H	α-helix	trans	-69.1	-43.8	176	175.8	0	0	0	0	111.4	F138 M298 L301 F312 Q316 Y317 L318 L322 K323 F324	F138-V320 HydrophobicContact CE2-CG2 3.75Å; F138-V320 HydrophobicContact CZ-CG2 3.97Å; M298-V320 HydrophobicContact CE-CB 4.15Å; M298-V320 HydrophobicContact CE-CG1 4.06Å; M298-V320 HydrophobicContact SD-CG1 3.92Å; L301-V320 HydrophobicContact CD1-CG1 3.68Å; F312-V320 HydrophobicContact CD2-CG2 4.22Å; F312-V320 HydrophobicContact CE2-CB 4.06Å; F312-V320 HydrophobicContact CE2-CG2 3.37Å; F312-V320 HydrophobicContact CZ-CB 3.76Å; F312-V320 HydrophobicContact CZ-CG1 4.06Å; F312-V320 HydrophobicContact CZ-CG2 3.59Å; Q316-V320 PolarHBondContact O-N 3.44Å; Q316-V320 VanDerWaalsContact O-N 3.17Å; Y317-V320 PolarHBondContact O-N 3.41Å; L318-V320 VanDerWaalsContact C-N 3.33Å; V320-L322 VanDerWaalsContact C-N 3.26Å; V320-L322 PolarHBondContact O-N 2.76Å; V320-K323 WeakPolarHBondContact O-CB 3.41Å; V320-K323 PolarHBondContact O-N 3.16Å; V320-F324 PolarHBondContact O-N 3.18Å; V320-F324 VanDerWaalsContact O-N 3.12Å
321	F	93.8	Very high	89.4	Confident	1 Å²	1	22 Å²	22	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-54.3	-43.6	173.3	169.7	-108.9	0	0	0	111.8	I230 P239 M241 H294 Y317 L318 K323 F324 V325	I230-F321 HydrophobicContact CD1-CD1 4.43Å; I230-F321 HydrophobicContact CD1-CE1 4.28Å; I230-F321 HydrophobicContact CG1-CE1 4.25Å; I230-F321 HydrophobicContact CG2-CE1 4.26Å; P239-F321 HydrophobicContact CB-CD1 4.08Å; P239-F321 HydrophobicContact CB-CE1 4Å; P239-F321 HydrophobicContact CB-CE2 4.48Å; P239-F321 HydrophobicContact CB-CG 4.34Å; P239-F321 HydrophobicContact CB-CZ 4.2Å; M241-F321 HydrophobicContact CB-CE1 4.43Å; M241-F321 HydrophobicContact CB-CZ 4.09Å; M241-F321 HydrophobicContact CE-CE1 4.15Å; H294-F321 AromaticContact CE1-CE2 3.52Å; H294-F321 AromaticContact ND1-CE2 3.54Å; Y317-F321 HydrophobicContact CD1-CB 4.39Å; Y317-F321 HydrophobicContact CE1-CB 4.46Å; Y317-F321 WeakPolarHBondContact O-CB 3.48Å; Y317-F321 PolarHBondContact O-N 2.82Å; L318-F321 HydrophobicContact CD2-CD1 4.23Å; L318-F321 PolarHBondContact O-N 2.76Å; F321-K323 VanDerWaalsContact C-N 3.3Å; F321-K323 PolarHBondContact O-N 3.35Å; F321-F324 HydrophobicContact CD2-CD1 4.31Å; F321-F324 HydrophobicContact CE2-CD1 4.34Å; F321-F324 WeakPolarHBondContact O-CB 3.36Å; F321-F324 PolarHBondContact O-N 3.38Å; F321-V325 HydrophobicContact CD1-CG2 4.39Å; F321-V325 HydrophobicContact CD2-CG2 4.3Å; F321-V325 HydrophobicContact CE1-CG2 3.9Å; F321-V325 HydrophobicContact CE2-CG2 3.78Å; F321-V325 HydrophobicContact CZ-CG2 3.57Å; F321-V325 WeakPolarHBondContact O-CG2 3.44Å; F321-V325 PolarHBondContact O-N 3.29Å
322	L	92.9	Very high	89.8	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65	-30.2	177	-76.6	-178.7	0	0	0	113.4	L46 W53 I230 M241 L318 V319 V320 V325 Q326 Y334 Y336	L46-L322 HydrophobicContact CD1-CD1 3.64Å; L46-L322 HydrophobicContact CD2-CD1 3.9Å; L46-L322 HydrophobicContact CG-CD1 4.45Å; W53-L322 HydrophobicContact CH2-CD2 4.2Å; W53-L322 HydrophobicContact CZ2-CD1 4.02Å; W53-L322 HydrophobicContact CZ2-CD2 3.69Å; I230-L322 HydrophobicContact CD1-CD2 3.83Å; I230-L322 HydrophobicContact CD1-CG 4.38Å; M241-L322 HydrophobicContact CE-CD2 3.4Å; M241-L322 VanDerWaalsContact CE-CD2 3.4Å; L318-L322 WeakPolarHBondContact O-CB 3.47Å; L318-L322 VanDerWaalsContact O-CG 3.22Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 3Å; V319-L322 PolarHBondContact O-N 3.46Å; V320-L322 VanDerWaalsContact C-N 3.26Å; V320-L322 PolarHBondContact O-N 2.76Å; L322-V325 PolarHBondContact O-N 3.3Å; L322-Q326 PolarHBondContact O-N 3.39Å; L322-Q326 VanDerWaalsContact O-N 3.15Å; L322-Y334 HydrophobicContact CB-CE2 4.04Å; L322-Y334 HydrophobicContact CD2-CD2 4.15Å; L322-Y334 HydrophobicContact CD2-CE2 3.65Å; L322-Y334 HydrophobicContact CG-CE2 4.27Å; L322-Y334 PolarHBondContact O-OH 3.19Å; L322-Y336 HydrophobicContact CB-CG 4.31Å
323	K	86.6	Confident	89.7	Confident	52 Å²	52	19.4 Å²	19.4	23%	0.226	10%	0.102	C	C	.	.	H	α-helix	trans	-67.5	-41.3	171.8	-70.4	-178.7	178	-176.7	0	111.6	V319 V320 F321 Q326 Y336	V319-K323 PolarHBondContact O-N 3.13Å; V320-K323 WeakPolarHBondContact O-CB 3.41Å; V320-K323 PolarHBondContact O-N 3.16Å; F321-K323 VanDerWaalsContact C-N 3.3Å; F321-K323 PolarHBondContact O-N 3.35Å; K323-Q326 PolarHBondContact O-N 3.29Å; K323-Y336 HydrophobicContact CG-CD2 3.92Å; K323-Y336 HydrophobicContact CG-CE2 4.1Å
324	F	84.9	Confident	89.5	Confident	5 Å²	5	17.1 Å²	17.1	2%	0.022	9%	0.089	C	C	.	.	H	α-helix	trans	-60.8	-46.4	173.1	159.4	-108.3	0	0	0	111	W127 H294 T297 V320 F321 Q326 A327 V328	W127-F324 AromaticContact CH2-CD2 3.81Å; W127-F324 HydrophobicContact CH2-CD2 3.81Å; W127-F324 AromaticContact CH2-CE2 3.05Å; W127-F324 HydrophobicContact CH2-CE2 3.05Å; W127-F324 AromaticContact CH2-CZ 3.48Å; W127-F324 HydrophobicContact CH2-CZ 3.48Å; W127-F324 VanDerWaalsContact CH2-CZ 3.48Å; W127-F324 HydrophobicContact CZ2-CD2 4.48Å; W127-F324 HydrophobicContact CZ2-CE1 4.46Å; W127-F324 AromaticContact CZ2-CE2 3.37Å; W127-F324 HydrophobicContact CZ2-CE2 3.37Å; W127-F324 AromaticContact CZ2-CZ 3.34Å; W127-F324 HydrophobicContact CZ2-CZ 3.34Å; W127-F324 AromaticContact CZ3-CE2 3.98Å; W127-F324 HydrophobicContact CZ3-CE2 3.98Å; H294-F324 AromaticContact CD2-CE1 3.71Å; H294-F324 AromaticContact NE2-CE1 3.66Å; T297-F324 HydrophobicContact CG2-CD2 4.24Å; V320-F324 PolarHBondContact O-N 3.18Å; V320-F324 VanDerWaalsContact O-N 3.12Å; F321-F324 HydrophobicContact CD2-CD1 4.31Å; F321-F324 HydrophobicContact CE2-CD1 4.34Å; F321-F324 WeakPolarHBondContact O-CB 3.36Å; F321-F324 PolarHBondContact O-N 3.38Å; F324-Q326 PolarHBondContact O-N 2.83Å; F324-A327 WeakPolarHBondContact O-CB 3.34Å; F324-A327 PolarHBondContact O-N 3.32Å; F324-V328 HydrophobicContact CE2-CG2 4.4Å; F324-V328 HydrophobicContact CZ-CG2 4.18Å
325	V	90	Very high	88.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-32.6	178.6	170.9	0	0	0	0	112	M241 I289 F321 L322 A327 V328 I329 Y334	M241-V325 HydrophobicContact CB-CG2 4.44Å; M241-V325 HydrophobicContact CE-CB 4.47Å; M241-V325 HydrophobicContact CE-CG1 3.97Å; M241-V325 HydrophobicContact CE-CG2 4.29Å; M241-V325 HydrophobicContact CG-CG1 4.28Å; I289-V325 HydrophobicContact CD1-CB 4.37Å; I289-V325 HydrophobicContact CD1-CG1 3.63Å; I289-V325 HydrophobicContact CD1-CG2 4.12Å; F321-V325 HydrophobicContact CD1-CG2 4.39Å; F321-V325 HydrophobicContact CD2-CG2 4.3Å; F321-V325 HydrophobicContact CE1-CG2 3.9Å; F321-V325 HydrophobicContact CE2-CG2 3.78Å; F321-V325 HydrophobicContact CZ-CG2 3.57Å; F321-V325 WeakPolarHBondContact O-CG2 3.44Å; F321-V325 PolarHBondContact O-N 3.29Å; L322-V325 PolarHBondContact O-N 3.3Å; V325-A327 PolarHBondContact O-N 3.48Å; V325-V328 WeakPolarHBondContact O-CA 2.93Å; V325-V328 WeakPolarHBondContact O-CB 3.35Å; V325-V328 PolarHBondContact O-N 2.92Å; V325-I329 HydrophobicContact CG1-CD1 3.49Å; V325-I329 VanDerWaalsContact CG1-CD1 3.49Å; V325-I329 HydrophobicContact CG1-CG1 3.63Å; V325-I329 VanDerWaalsContact O-CG1 3.26Å; V325-I329 WeakPolarHBondContact O-CG1 3.48Å; V325-I329 PolarHBondContact O-N 3.13Å; V325-Y334 WeakPolarHBondContact CG1-OH 3.28Å
326	Q	87.4	Confident	87.9	Confident	21 Å²	21	16.8 Å²	16.8	10%	0.098	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-31	178.7	-170.1	73.1	14.2	0	0	112.1	L322 K323 F324 V328 I329 P330 Y334 Y336	L322-Q326 PolarHBondContact O-N 3.39Å; L322-Q326 VanDerWaalsContact O-N 3.15Å; K323-Q326 PolarHBondContact O-N 3.29Å; F324-Q326 PolarHBondContact O-N 2.83Å; Q326-V328 PolarHBondContact O-N 2.92Å; Q326-I329 CarbonylContact O-C 3.48Å; Q326-I329 PolarHBondContact O-N 2.91Å; Q326-P330 PolarHBondContact NE2-O 2.7Å; Q326-P330 WeakPolarHBondContact O-CA 3.02Å; Q326-P330 VanDerWaalsContact O-N 3.14Å; Q326-Y334 WeakPolarHBondContact CA-OH 3.34Å; Q326-Y334 PolarHBondContact N-OH 3.27Å; Q326-Y334 VanDerWaalsContact OE1-CZ 3.23Å; Q326-Y334 PolarHBondContact OE1-OH 2.83Å; Q326-Y336 HydrophobicContact CB-CE1 4.13Å; Q326-Y336 HydrophobicContact CB-CE2 4.44Å; Q326-Y336 HydrophobicContact CG-CE1 3.96Å; Q326-Y336 WeakPolarHBondContact CG-OH 3.26Å
327	A	84.2	Confident	86.5	Confident	22 Å²	22	17.3 Å²	17.3	18%	0.182	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-33	174.8	0	0	0	0	0	111.9	T130 S265 H268 F324 V325	T130-A327 HydrophobicContact CG2-CB 4.06Å; S265-A327 WeakPolarHBondContact CB-O 3.12Å; H268-A327 PolarHBondContact CD2-O 2.72Å; F324-A327 WeakPolarHBondContact O-CB 3.34Å; F324-A327 PolarHBondContact O-N 3.32Å; V325-A327 PolarHBondContact O-N 3.48Å
328	V	87.4	Confident	84.4	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-79.1	-38.6	178.1	-176.1	0	0	0	0	112	S265 H268 I273 I289 F324 V325 Q326 P330	S265-V328 PolarHBondContact N-O 3.28Å; H268-V328 HydrophobicContact CB-CB 4.45Å; H268-V328 HydrophobicContact CB-CG1 3.95Å; H268-V328 HydrophobicContact CB-CG2 4.31Å; I273-V328 HydrophobicContact CD1-CG1 3.88Å; I273-V328 HydrophobicContact CG1-CG1 4.24Å; I289-V328 HydrophobicContact CD1-CB 4.06Å; I289-V328 HydrophobicContact CD1-CG1 3.87Å; I289-V328 HydrophobicContact CG1-CG1 4.17Å; F324-V328 HydrophobicContact CE2-CG2 4.4Å; F324-V328 HydrophobicContact CZ-CG2 4.18Å; V325-V328 WeakPolarHBondContact O-CA 2.93Å; V325-V328 WeakPolarHBondContact O-CB 3.35Å; V325-V328 PolarHBondContact O-N 2.92Å; Q326-V328 PolarHBondContact O-N 2.92Å; V328-P330 VanDerWaalsContact C-CD 3.44Å; V328-P330 WeakPolarHBondContact O-CD 3.49Å
329	I	89.6	Confident	81.7	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-123.4	63	-176.3	55.9	171.1	0	0	0	112.2	L243 F264 V325 Q326 T331 I332 Y334	L243-I329 HydrophobicContact CD2-CD1 3.85Å; L243-I329 HydrophobicContact CD2-CG2 3.96Å; F264-I329 HydrophobicContact CD1-CG2 3.56Å; F264-I329 HydrophobicContact CE1-CG2 3.89Å; F264-I329 HydrophobicContact CG-CG2 4.41Å; V325-I329 HydrophobicContact CG1-CD1 3.49Å; V325-I329 VanDerWaalsContact CG1-CD1 3.49Å; V325-I329 HydrophobicContact CG1-CG1 3.63Å; V325-I329 VanDerWaalsContact O-CG1 3.26Å; V325-I329 WeakPolarHBondContact O-CG1 3.48Å; V325-I329 PolarHBondContact O-N 3.13Å; Q326-I329 CarbonylContact O-C 3.48Å; Q326-I329 PolarHBondContact O-N 2.91Å; I329-T331 PolarHBondContact O-N 3.44Å; I329-T331 VanDerWaalsContact O-N 3.13Å; I329-I332 HydrophobicContact CB-CB 4.35Å; I329-I332 HydrophobicContact CB-CD1 3.93Å; I329-I332 HydrophobicContact CB-CG1 4.17Å; I329-I332 HydrophobicContact CD1-CB 4.31Å; I329-I332 HydrophobicContact CD1-CD1 4.22Å; I329-I332 HydrophobicContact CG2-CD1 4.13Å; I329-I332 PolarHBondContact O-N 3.24Å; I329-Y334 HydrophobicContact CD1-CD1 4.16Å; I329-Y334 HydrophobicContact CD1-CE1 3.51Å; I329-Y334 HydrophobicContact CG1-CE1 3.9Å
330	P	87.3	Confident	79	Confident	28 Å²	28	31.8 Å²	31.8	18%	0.182	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29	-167.8	28.6	-40.6	0	0	0	114.1	I108 Y110 Q326 V328	I108-P330 HydrophobicContact CD1-CB 4.21Å; I108-P330 HydrophobicContact CD1-CG 4.15Å; Y110-P330 WeakPolarHBondContact OH-CB 3.11Å; Y110-P330 WeakPolarHBondContact OH-CG 3.44Å; Q326-P330 PolarHBondContact NE2-O 2.7Å; Q326-P330 WeakPolarHBondContact O-CA 3.02Å; Q326-P330 VanDerWaalsContact O-N 3.14Å; V328-P330 VanDerWaalsContact C-CD 3.44Å; V328-P330 WeakPolarHBondContact O-CD 3.49Å
331	T	85.6	Confident	75.9	Confident	12 Å²	12	37.5 Å²	37.5	7%	0.074	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-7.4	-173.8	54.2	0	0	0	0	114.1	C101 Q103 I108 D263 I329	C101-T331 WeakPolarHBondContact CA-O 3.49Å; C101-T331 PolarHBondContact SG-O 3.23Å; C101-T331 PolarHBondContact SG-OG1 2.84Å; Q103-T331 HydrophobicContact CB-CG2 4.36Å; Q103-T331 WeakPolarHBondContact O-CB 3.48Å; Q103-T331 WeakPolarHBondContact O-CG2 3.28Å; Q103-T331 PolarHBondContact O-OG1 3.17Å; I108-T331 HydrophobicContact CD1-CG2 3.61Å; I108-T331 HydrophobicContact CG1-CG2 4.5Å; D263-T331 PolarHBondContact O-OG1 2.89Å; I329-T331 PolarHBondContact O-N 3.44Å; I329-T331 VanDerWaalsContact O-N 3.13Å
332	I	88.5	Confident	73	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-88.1	119.8	178.4	-55.9	-175.8	0	0	0	108.6	V99 C101 Y226 L228 L243 F264 I329 Y334	V99-I332 HydrophobicContact CB-CG2 4.4Å; V99-I332 HydrophobicContact CG1-CG2 3.69Å; C101-I332 HydrophobicContact CB-CG1 4.28Å; Y226-I332 HydrophobicContact CD1-CD1 3.92Å; Y226-I332 HydrophobicContact CD2-CD1 3.76Å; Y226-I332 HydrophobicContact CD2-CG1 4.05Å; Y226-I332 HydrophobicContact CD2-CG2 4.39Å; Y226-I332 HydrophobicContact CE1-CD1 4Å; Y226-I332 HydrophobicContact CE2-CD1 3.84Å; Y226-I332 HydrophobicContact CE2-CG1 4.18Å; Y226-I332 HydrophobicContact CG-CD1 3.8Å; Y226-I332 HydrophobicContact CG-CG1 4.49Å; Y226-I332 HydrophobicContact CG-CG2 4.41Å; L228-I332 HydrophobicContact CD1-CG2 4.17Å; L228-I332 HydrophobicContact CD2-CG2 4.44Å; L243-I332 HydrophobicContact CD2-CD1 3.72Å; F264-I332 HydrophobicContact CE1-CD1 4.16Å; I329-I332 HydrophobicContact CB-CB 4.35Å; I329-I332 HydrophobicContact CB-CD1 3.93Å; I329-I332 HydrophobicContact CB-CG1 4.17Å; I329-I332 HydrophobicContact CD1-CB 4.31Å; I329-I332 HydrophobicContact CD1-CD1 4.22Å; I329-I332 HydrophobicContact CG2-CD1 4.13Å; I329-I332 PolarHBondContact O-N 3.24Å; I332-Y334 HydrophobicContact CG2-CD1 4.16Å; I332-Y334 WeakPolarHBondContact O-CD1 3.21Å; I332-Y334 PolarHBondContact O-N 3.47Å
333	E	84.6	Confident	72	Confident	95 Å²	95	45.1 Å²	45.1	44%	0.444	24%	0.235	S	C	.	.			trans	-95.3	67.6	-172	-65.3	-171.7	178.9	0	0	113.1	V99 P100 Y102	V99-E333 VanDerWaalsContact CG1-O 3.24Å; V99-E333 WeakPolarHBondContact CG1-O 3.49Å; P100-E333 HydrophobicContact CG-CB 4.34Å; P100-E333 PolarHBondContact O-N 3.08Å; Y102-E333 WeakPolarHBondContact CD2-OE1 3.37Å; Y102-E333 WeakPolarHBondContact CE2-OE2 3.14Å
334	Y	85.3	Confident	71.2	Confident	6 Å²	6	44.7 Å²	44.7	2%	0.024	24%	0.236	C	C	.	.			trans	-85.6	157.4	169.4	60	-82.3	0	0	0	111.5	W53 L228 L322 V325 Q326 I329 I332 Y336	W53-Y334 HydrophobicContact CZ2-CD2 4.16Å; L228-Y334 HydrophobicContact CD1-CD1 3.57Å; L228-Y334 HydrophobicContact CD1-CE1 4.43Å; L228-Y334 HydrophobicContact CD1-CG 3.66Å; L322-Y334 HydrophobicContact CB-CE2 4.04Å; L322-Y334 HydrophobicContact CD2-CD2 4.15Å; L322-Y334 HydrophobicContact CD2-CE2 3.65Å; L322-Y334 HydrophobicContact CG-CE2 4.27Å; L322-Y334 PolarHBondContact O-OH 3.19Å; V325-Y334 WeakPolarHBondContact CG1-OH 3.28Å; Q326-Y334 WeakPolarHBondContact CA-OH 3.34Å; Q326-Y334 PolarHBondContact N-OH 3.27Å; Q326-Y334 VanDerWaalsContact OE1-CZ 3.23Å; Q326-Y334 PolarHBondContact OE1-OH 2.83Å; I329-Y334 HydrophobicContact CD1-CD1 4.16Å; I329-Y334 HydrophobicContact CD1-CE1 3.51Å; I329-Y334 HydrophobicContact CG1-CE1 3.9Å; I332-Y334 HydrophobicContact CG2-CD1 4.16Å; I332-Y334 WeakPolarHBondContact O-CD1 3.21Å; I332-Y334 PolarHBondContact O-N 3.47Å; Y334-Y336 AromaticContact CD2-CD1 3.6Å; Y334-Y336 HydrophobicContact CD2-CD1 3.6Å; Y334-Y336 HydrophobicContact CD2-CG 4.23Å; Y334-Y336 AromaticContact CE2-CD1 3.25Å; Y334-Y336 HydrophobicContact CE2-CD1 3.25Å; Y334-Y336 HydrophobicContact CE2-CE1 4.07Å; Y334-Y336 AromaticContact CE2-CG 3.75Å; Y334-Y336 HydrophobicContact CE2-CG 3.75Å; Y334-Y336 HydrophobicContact CG-CD1 4.36Å; Y334-Y336 AromaticContact CZ-CD1 3.8Å; Y334-Y336 WeakPolarHBondContact O-CD1 3.48Å; Y334-Y336 PolarHBondContact O-N 3.3Å
335	D	79.4	Confident	70.4	Confident	52 Å²	52	46.9 Å²	46.9	28%	0.278	25%	0.248	S	C	.	.			trans	-79.9	120.8	174.4	-170.7	2.8	0	0	0	109.7	C50 T52 W53 S337	C50-D335 HydrophobicContact CB-CB 4.29Å; C50-D335 WeakPolarHBondContact CB-OD2 3.38Å; C50-D335 VanDerWaalsContact SG-CG 3.5Å; C50-D335 PolarHBondContact SG-OD1 3.11Å; C50-D335 VanDerWaalsContact SG-OD1 3.36Å; T52-D335 HydrophobicContact CG2-CB 4.39Å; T52-D335 VanDerWaalsContact OG1-CB 3.32Å; T52-D335 WeakPolarHBondContact OG1-CB 3.2Å; W53-D335 PolarHBondContact NE1-O 3.1Å; D335-S337 PolarHBondContact OD1-N 3.42Å
336	Y	72	Confident	69.3	Low	30 Å²	30	49.7 Å²	49.7	12%	0.118	26%	0.262	C	S	.	.	S	Bend	trans	-138.8	33.4	171.7	62.8	-88.7	0	0	0	110.8	L322 K323 Q326 Y334 K338	L322-Y336 HydrophobicContact CB-CG 4.31Å; K323-Y336 HydrophobicContact CG-CD2 3.92Å; K323-Y336 HydrophobicContact CG-CE2 4.1Å; Q326-Y336 HydrophobicContact CB-CE1 4.13Å; Q326-Y336 HydrophobicContact CB-CE2 4.44Å; Q326-Y336 HydrophobicContact CG-CE1 3.96Å; Q326-Y336 WeakPolarHBondContact CG-OH 3.26Å; Y334-Y336 AromaticContact CD2-CD1 3.6Å; Y334-Y336 HydrophobicContact CD2-CD1 3.6Å; Y334-Y336 HydrophobicContact CD2-CG 4.23Å; Y334-Y336 AromaticContact CE2-CD1 3.25Å; Y334-Y336 HydrophobicContact CE2-CD1 3.25Å; Y334-Y336 HydrophobicContact CE2-CE1 4.07Å; Y334-Y336 AromaticContact CE2-CG 3.75Å; Y334-Y336 HydrophobicContact CE2-CG 3.75Å; Y334-Y336 HydrophobicContact CG-CD1 4.36Å; Y334-Y336 AromaticContact CZ-CD1 3.8Å; Y334-Y336 WeakPolarHBondContact O-CD1 3.48Å; Y334-Y336 PolarHBondContact O-N 3.3Å; Y336-K338 HydrophobicContact CD1-CG 4.28Å; Y336-K338 HydrophobicContact CE1-CD 3.98Å; Y336-K338 HydrophobicContact CE1-CG 3.69Å; Y336-K338 HydrophobicContact CE2-CG 3.93Å; Y336-K338 VanDerWaalsContact CZ-CG 3.46Å; Y336-K338 WeakPolarHBondContact OH-CE 3.29Å
337	S	63.6	Low	68.1	Low	24 Å²	24	51.5 Å²	51.5	17%	0.168	27%	0.273	C	S	.	.	S	Bend	trans	71.1	35.9	-176.8	92.6	0	0	0	0	115.1	D335 N339 V340	D335-S337 PolarHBondContact OD1-N 3.42Å; S337-N339 PolarHBondContact O-N 2.88Å; S337-V340 PolarHBondContact O-N 3.19Å
338	K	50.9	Low	67.1	Low	105 Å²	105	53.5 Å²	53.5	46%	0.457	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.6	170.6	-75.2	-170.8	-178.3	175.8	0	113.6	Y336	Y336-K338 HydrophobicContact CD1-CG 4.28Å; Y336-K338 HydrophobicContact CE1-CD 3.98Å; Y336-K338 HydrophobicContact CE1-CG 3.69Å; Y336-K338 HydrophobicContact CE2-CG 3.93Å; Y336-K338 VanDerWaalsContact CZ-CG 3.46Å; Y336-K338 WeakPolarHBondContact OH-CE 3.29Å
339	N	39.7	Very low	65.6	Low	150 Å²	150	57.3 Å²	57.3	80%	0.802	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	10.6	-177	-66.5	-29.9	0	0	0	114.6	S337 T341	S337-N339 PolarHBondContact O-N 2.88Å; N339-T341 VanDerWaalsContact C-N 3.31Å; N339-T341 PolarHBondContact O-N 3.34Å
340	V	33.9	Very low	63.8	Low	60 Å²	60	61.7 Å²	61.7	36%	0.364	32%	0.321	S	S	.	.			trans	-84.3	85.6	163.6	-174.1	0	0	0	0	107	S337 F342	S337-V340 PolarHBondContact O-N 3.19Å; V340-F342 HydrophobicContact CG1-CD1 4.02Å; V340-F342 HydrophobicContact CG1-CE1 3.77Å; V340-F342 HydrophobicContact CG1-CZ 4.12Å; V340-F342 PolarHBondContact O-N 3.25Å
341	T	27.1	Very low	61.8	Low	124 Å²	124	64.5 Å²	64.5	76%	0.761	33%	0.333	S	S	*	.			trans	-60.2	118	157.4	23.8	0	0	0	0	107.5	Q142 N339	Q142-T341 PolarHBondContact OE1-O 3.48Å; N339-T341 VanDerWaalsContact C-N 3.31Å; N339-T341 PolarHBondContact O-N 3.34Å
342	F	31.5	Very low	59.7	Low	116 Å²	116	69.3 Å²	69.3	51%	0.509	36%	0.357	S	S	.	.			trans	-78.6	0	166.1	-59	-70.9	0	0	0	110.3	Q137 D139 Q142 V340	Q137-F342 WeakPolarHBondContact O-CD2 3.33Å; Q137-F342 WeakPolarHBondContact O-CE2 3.47Å; D139-F342 HydrophobicContact CB-CB 3.92Å; D139-F342 HydrophobicContact CB-CD1 3.4Å; D139-F342 VanDerWaalsContact CB-CD1 3.4Å; D139-F342 HydrophobicContact CB-CE1 4.09Å; D139-F342 HydrophobicContact CB-CG 3.85Å; D139-F342 VanDerWaalsContact N-CE1 3.32Å; D139-F342 WeakPolarHBondContact O-CD1 3.39Å; D139-F342 WeakPolarHBondContact O-CE1 3.48Å; Q142-F342 HydrophobicContact CB-CD1 4.45Å; Q142-F342 PolarHBondContact NE2-OXT 2.84Å; V340-F342 HydrophobicContact CG1-CD1 4.02Å; V340-F342 HydrophobicContact CG1-CE1 3.77Å; V340-F342 HydrophobicContact CG1-CZ 4.12Å; V340-F342 PolarHBondContact O-N 3.25Å

Retrieved 342 of 342 residues in 344.2 ms (Link to these results)

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