A0A087Y0N8_POEFO Loading...

E3 ubiquitin-protein ligase CHFR

AlphaFold DB , UniProt , Accession A0A087Y0N8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	55.5	Low	245 Å²	245	116.2 Å²	116.2	100%	1.207	61%	0.611	S	S	*	*				0	140.3	0	-77.2	173.1	168.9	0	0	107.4
2	E	33.4	Very low	58.5	Low	193 Å²	193	111.8 Å²	111.8	90%	0.902	58%	0.583	S	S	*	*			trans	-79.2	142.9	-176.9	-66.9	171.5	121.2	0	0	111.1
3	S	33.2	Very low	61	Low	118 Å²	118	103.4 Å²	103.4	83%	0.825	54%	0.539	S	S	*	.			trans	-85.2	125.8	-173.1	33.9	0	0	0	0	111.6	S5	S3-S5 PolarHBondContact O-N 2.89Å
4	Y	37.5	Very low	63	Low	201 Å²	201	97.6 Å²	97.6	79%	0.788	51%	0.51	S	S	*	.			trans	-68.4	114.4	173.5	-83.6	-68.9	0	0	0	110.8	T26	Y4-T26 HydrophobicContact CD1-CG2 3.51Å; Y4-T26 HydrophobicContact CE1-CG2 3.67Å
5	S	38.2	Very low	64.8	Low	74 Å²	74	94.4 Å²	94.4	52%	0.517	49%	0.491	S	S	.	.			trans	-65.7	131.8	-177.8	55.2	0	0	0	0	112.8	S3 G7	S3-S5 PolarHBondContact O-N 2.89Å; S5-G7 PolarHBondContact O-N 3.26Å
6	S	45.1	Very low	66.1	Low	136 Å²	136	92.9 Å²	92.9	95%	0.951	49%	0.486	S	S	*	.			trans	-73.1	56	171.5	41.6	0	0	0	0	112.9
7	G	56.8	Low	66.8	Low	37 Å²	37	93.9 Å²	93.9	38%	0.381	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-81.5	165	-179.2	0	0	0	0	0	114.4	S5 F25	S5-G7 PolarHBondContact O-N 3.26Å; G7-F25 WeakPolarHBondContact O-CD1 3.16Å
8	R	73.6	Confident	67.3	Low	208 Å²	208	92.1 Å²	92.1	79%	0.785	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-73.2	147.1	166.1	-70.1	-177.3	178	178.5	-0.1	110	W10	R8-W10 PolarHBondContact O-N 2.83Å
9	P	84.6	Confident	67.6	Low	41 Å²	41	94.1 Å²	94.1	27%	0.266	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-70.8	129.8	178	29.6	-31.5	0	0	0	110.2	L23 L24 F25 L114	P9-L23 HydrophobicContact CB-CB 4.13Å; P9-L23 HydrophobicContact CG-CD1 4.43Å; P9-L24 CarbonylContact C-O 3.59Å; P9-L24 VanDerWaalsContact CA-O 3.26Å; P9-L24 WeakPolarHBondContact CA-O 3.47Å; P9-F25 HydrophobicContact CB-CD1 3.75Å; P9-F25 HydrophobicContact CB-CE1 3.67Å; P9-F25 HydrophobicContact CB-CG 4.34Å; P9-F25 HydrophobicContact CB-CZ 4.19Å; P9-F25 HydrophobicContact CG-CD1 4.28Å; P9-F25 HydrophobicContact CG-CE1 3.82Å; P9-F25 HydrophobicContact CG-CZ 4.41Å; P9-L114 HydrophobicContact CB-CD1 4.17Å; P9-L114 HydrophobicContact CG-CD1 4.28Å
10	W	87.6	Confident	68.5	Low	25 Å²	25	94.1 Å²	94.1	10%	0.095	50%	0.497	C	S	.	.			trans	-98.5	-8.5	-176.7	55.7	-101.6	0	0	0	113.5	R8 L24 T26 I54 K56 V63 Y111 L114	R8-W10 PolarHBondContact O-N 2.83Å; W10-L24 HydrophobicContact CD2-CB 4.22Å; W10-L24 HydrophobicContact CE3-CB 4.38Å; W10-L24 HydrophobicContact CH2-CB 3.94Å; W10-L24 HydrophobicContact CH2-CD1 3.5Å; W10-L24 HydrophobicContact CH2-CG 4.37Å; W10-L24 HydrophobicContact CZ2-CB 3.75Å; W10-L24 HydrophobicContact CZ2-CD1 4.16Å; W10-L24 HydrophobicContact CZ3-CB 4.23Å; W10-L24 HydrophobicContact CZ3-CD1 3.7Å; W10-L24 PolarHBondContact N-O 2.69Å; W10-T26 WeakPolarHBondContact CZ2-O 3.31Å; W10-T26 PolarHBondContact NE1-O 2.85Å; W10-I54 HydrophobicContact CH2-CG2 4.05Å; W10-K56 HydrophobicContact CB-CD 3.9Å; W10-K56 HydrophobicContact CD2-CB 4Å; W10-K56 HydrophobicContact CD2-CD 3.68Å; W10-K56 HydrophobicContact CD2-CG 4.45Å; W10-K56 HydrophobicContact CE3-CB 4.13Å; W10-K56 HydrophobicContact CE3-CD 3.86Å; W10-K56 HydrophobicContact CG-CD 3.71Å; W10-K56 HydrophobicContact CH2-CB 4.05Å; W10-K56 HydrophobicContact CZ2-CB 3.9Å; W10-K56 HydrophobicContact CZ3-CB 4.18Å; W10-V63 HydrophobicContact CE3-CG2 3.95Å; W10-V63 HydrophobicContact CH2-CG1 3.92Å; W10-V63 HydrophobicContact CH2-CG2 4.35Å; W10-V63 HydrophobicContact CZ3-CB 4.28Å; W10-V63 HydrophobicContact CZ3-CG1 3.68Å; W10-V63 HydrophobicContact CZ3-CG2 3.55Å; W10-Y111 HydrophobicContact CZ3-CE2 4.13Å; W10-L114 PolarHBondContact O-N 3.46Å
11	G	88.8	Confident	69.4	Low	0 Å²	0	93.2 Å²	93.2	0%	0	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	169.3	177.9	0	0	0	0	0	112.1	L24 H112	G11-L24 PolarHBondContact O-N 2.82Å; G11-H112 CarbonylContact C-O 3.56Å; G11-H112 VanDerWaalsContact CA-O 3.27Å; G11-H112 WeakPolarHBondContact CA-O 3.4Å
12	K	90.8	Very high	72.1	Confident	63 Å²	63	82.9 Å²	82.9	27%	0.274	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	148.1	171.8	63.8	173.7	-175.3	175.2	0	111.3	V14 T21 V22 L23 H112 L114	K12-V14 HydrophobicContact CD-CG2 4.12Å; K12-V14 HydrophobicContact CG-CG2 4.44Å; K12-T21 HydrophobicContact CB-CG2 4.09Å; K12-T21 HydrophobicContact CD-CG2 4.18Å; K12-V22 CarbonylContact C-O 3.26Å; K12-V22 VanDerWaalsContact CA-O 3.31Å; K12-V22 WeakPolarHBondContact CA-O 3.42Å; K12-L23 HydrophobicContact CB-CD2 3.8Å; K12-H112 HydrophobicContact CD-CB 4.31Å; K12-H112 VanDerWaalsContact CE-CG 3.45Å; K12-H112 HydrophobicContact CG-CB 3.72Å; K12-H112 PolarHBondContact N-O 3.27Å; K12-H112 PolarHBondContact O-N 3.49Å; K12-L114 HydrophobicContact CB-CD1 4.35Å; K12-L114 HydrophobicContact CD-CD2 4.4Å; K12-L114 HydrophobicContact CG-CD2 4.4Å
13	L	91.5	Very high	74.8	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.016	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.1	169.1	-62.8	172.3	0	0	0	107.9	T21 V22 L24 L39 I54 I94 Y109 Y111	L13-T21 CarbonylContact O-C 3.57Å; L13-T21 WeakPolarHBondContact O-CA 3.44Å; L13-V22 HydrophobicContact CB-CB 4.41Å; L13-V22 PolarHBondContact N-O 2.82Å; L13-V22 PolarHBondContact O-N 3.11Å; L13-L24 HydrophobicContact CD1-CD2 4.07Å; L13-L24 HydrophobicContact CG-CD1 4.31Å; L13-L24 HydrophobicContact CG-CD2 4.27Å; L13-L39 HydrophobicContact CD1-CD2 4.17Å; L13-I54 HydrophobicContact CD1-CD1 4.01Å; L13-I54 HydrophobicContact CD2-CD1 4.33Å; L13-I94 HydrophobicContact CD2-CD1 4.05Å; L13-Y109 HydrophobicContact CB-CD1 3.79Å; L13-Y109 HydrophobicContact CB-CG 4.38Å; L13-Y111 HydrophobicContact CD2-CD2 3.98Å; L13-Y111 HydrophobicContact CD2-CG 4.4Å
14	V	89.1	Confident	77.4	Confident	22 Å²	22	71.4 Å²	71.4	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.5	178.1	-174.6	0	0	0	0	109.3	K12 T21 Y109 V110	K12-V14 HydrophobicContact CD-CG2 4.12Å; K12-V14 HydrophobicContact CG-CG2 4.44Å; V14-T21 HydrophobicContact CG2-CG2 4.22Å; V14-Y109 CarbonylContact O-C 3.49Å; V14-Y109 WeakPolarHBondContact O-CA 3.48Å; V14-V110 PolarHBondContact N-O 3.42Å; V14-V110 PolarHBondContact O-N 3.33Å
15	K	90.6	Very high	79.6	Confident	50 Å²	50	66 Å²	66	22%	0.217	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.4	-179.2	-171.6	175.1	158.5	-145.5	0	111.3	D17 S18 N19 E20 A108 Y109	K15-D17 VanDerWaalsContact C-N 3.34Å; K15-D17 PolarHBondContact O-N 2.87Å; K15-S18 WeakPolarHBondContact CD-OG 3.44Å; K15-S18 WeakPolarHBondContact CE-OG 3.4Å; K15-S18 PolarHBondContact NZ-OG 2.78Å; K15-N19 PolarHBondContact O-N 3.28Å; K15-E20 HydrophobicContact CB-CB 3.9Å; K15-E20 WeakPolarHBondContact CB-O 3.29Å; K15-E20 HydrophobicContact CD-CB 4.04Å; K15-E20 WeakPolarHBondContact CD-OE2 3.34Å; K15-E20 PolarHBondContact N-O 3.16Å; K15-E20 IonicContact NZ-OE2 3.47Å; K15-E20 PolarHBondContact NZ-OE2 3.1Å; K15-A108 WeakPolarHBondContact CA-O 3.29Å; K15-Y109 HydrophobicContact CB-CD1 3.85Å; K15-Y109 HydrophobicContact CB-CE1 3.58Å; K15-Y109 HydrophobicContact CB-CE2 4.47Å; K15-Y109 HydrophobicContact CB-CG 4.43Å; K15-Y109 HydrophobicContact CD-CE1 4.36Å; K15-Y109 HydrophobicContact CD-CE2 4.43Å; K15-Y109 HydrophobicContact CG-CE1 4.16Å; K15-Y109 HydrophobicContact CG-CE2 4.2Å
16	V	84.8	Confident	81.8	Confident	70 Å²	70	63.1 Å²	63.1	42%	0.424	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-41.6	-172.7	175.3	0	0	0	0	112.2	V93 A108 V110	V16-V93 HydrophobicContact CG2-CG1 4.31Å; V16-A108 HydrophobicContact CB-CB 4.08Å; V16-A108 HydrophobicContact CG2-CB 3.68Å; V16-A108 PolarHBondContact N-O 2.9Å; V16-V110 HydrophobicContact CG2-CG2 3.91Å
17	D	78.1	Confident	83.6	Confident	110 Å²	110	62.2 Å²	62.2	59%	0.588	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.5	-167.1	-33.5	-73.9	0	0	0	114	K15	K15-D17 VanDerWaalsContact C-N 3.34Å; K15-D17 PolarHBondContact O-N 2.87Å
18	S	76.1	Confident	85.1	Confident	62 Å²	62	64.6 Å²	64.6	43%	0.434	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	13.1	-173.5	72.3	0	0	0	0	116.1	K15 E20	K15-S18 WeakPolarHBondContact CD-OG 3.44Å; K15-S18 WeakPolarHBondContact CE-OG 3.4Å; K15-S18 PolarHBondContact NZ-OG 2.78Å; S18-E20 PolarHBondContact O-N 3Å
19	N	72.4	Confident	85.8	Confident	130 Å²	130	54.8 Å²	54.8	70%	0.695	29%	0.285	S	S	*	.			trans	52.6	14.9	-177.8	-70.5	-20.1	0	0	0	115.6	K15 T21	K15-N19 PolarHBondContact O-N 3.28Å; N19-T21 PolarHBondContact O-N 3.47Å; N19-T21 PolarHBondContact O-OG1 2.75Å
20	E	85.4	Confident	86.2	Confident	94 Å²	94	54.5 Å²	54.5	44%	0.439	28%	0.282	S	S	.	.			trans	-66.6	117.5	-177.9	-173	-177.6	171.1	0	0	109.1	K15 S18	K15-E20 HydrophobicContact CB-CB 3.9Å; K15-E20 WeakPolarHBondContact CB-O 3.29Å; K15-E20 HydrophobicContact CD-CB 4.04Å; K15-E20 WeakPolarHBondContact CD-OE2 3.34Å; K15-E20 PolarHBondContact N-O 3.16Å; K15-E20 IonicContact NZ-OE2 3.47Å; K15-E20 PolarHBondContact NZ-OE2 3.1Å; S18-E20 PolarHBondContact O-N 3Å
21	T	87.1	Confident	86.3	Confident	75 Å²	75	53.4 Å²	53.4	46%	0.46	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.8	-170.9	-61.3	0	0	0	0	111.3	K12 L13 V14 N19 L23	K12-T21 HydrophobicContact CB-CG2 4.09Å; K12-T21 HydrophobicContact CD-CG2 4.18Å; L13-T21 CarbonylContact O-C 3.57Å; L13-T21 WeakPolarHBondContact O-CA 3.44Å; V14-T21 HydrophobicContact CG2-CG2 4.22Å; N19-T21 PolarHBondContact O-N 3.47Å; N19-T21 PolarHBondContact O-OG1 2.75Å; T21-L23 HydrophobicContact CG2-CD2 4.26Å
22	V	89.2	Confident	86.4	Confident	29 Å²	29	53.4 Å²	53.4	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.2	176.2	-178.4	0	0	0	0	108.6	K12 L13 Y38 L39 Y109	K12-V22 CarbonylContact C-O 3.26Å; K12-V22 VanDerWaalsContact CA-O 3.31Å; K12-V22 WeakPolarHBondContact CA-O 3.42Å; L13-V22 HydrophobicContact CB-CB 4.41Å; L13-V22 PolarHBondContact N-O 2.82Å; L13-V22 PolarHBondContact O-N 3.11Å; V22-Y38 HydrophobicContact CG1-CE1 4.22Å; V22-L39 HydrophobicContact CG2-CD1 4.14Å; V22-Y109 HydrophobicContact CG2-CE1 4.34Å
23	L	89.6	Confident	86.3	Confident	67 Å²	67	55.2 Å²	55.2	35%	0.351	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.2	177.3	-60.3	-179.1	0	0	0	110.8	P9 K12 T21 F25 Y38 L114	P9-L23 HydrophobicContact CB-CB 4.13Å; P9-L23 HydrophobicContact CG-CD1 4.43Å; K12-L23 HydrophobicContact CB-CD2 3.8Å; T21-L23 HydrophobicContact CG2-CD2 4.26Å; L23-F25 HydrophobicContact CB-CD2 4.25Å; L23-F25 HydrophobicContact CB-CE2 3.62Å; L23-F25 HydrophobicContact CB-CZ 3.93Å; L23-F25 HydrophobicContact CD1-CE2 4.3Å; L23-F25 HydrophobicContact CD1-CZ 3.86Å; L23-Y38 WeakPolarHBondContact O-CE1 3.48Å; L23-Y38 PolarHBondContact O-OH 3.36Å; L23-L114 HydrophobicContact CD2-CD1 4.34Å
24	L	88.6	Confident	86.2	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	106.7	179.3	-51.5	-176.2	0	0	0	109.4	P9 W10 G11 L13 C29 Y38 I54 Y111	P9-L24 CarbonylContact C-O 3.59Å; P9-L24 VanDerWaalsContact CA-O 3.26Å; P9-L24 WeakPolarHBondContact CA-O 3.47Å; W10-L24 HydrophobicContact CD2-CB 4.22Å; W10-L24 HydrophobicContact CE3-CB 4.38Å; W10-L24 HydrophobicContact CH2-CB 3.94Å; W10-L24 HydrophobicContact CH2-CD1 3.5Å; W10-L24 HydrophobicContact CH2-CG 4.37Å; W10-L24 HydrophobicContact CZ2-CB 3.75Å; W10-L24 HydrophobicContact CZ2-CD1 4.16Å; W10-L24 HydrophobicContact CZ3-CB 4.23Å; W10-L24 HydrophobicContact CZ3-CD1 3.7Å; W10-L24 PolarHBondContact N-O 2.69Å; G11-L24 PolarHBondContact O-N 2.82Å; L13-L24 HydrophobicContact CD1-CD2 4.07Å; L13-L24 HydrophobicContact CG-CD1 4.31Å; L13-L24 HydrophobicContact CG-CD2 4.27Å; L24-C29 HydrophobicContact CD2-CB 4.19Å; L24-Y38 WeakPolarHBondContact CA-OH 3.3Å; L24-Y38 HydrophobicContact CD2-CD1 4.49Å; L24-Y38 HydrophobicContact CD2-CE1 3.92Å; L24-I54 HydrophobicContact CD1-CG2 4.5Å; L24-Y111 HydrophobicContact CD1-CD2 4.33Å; L24-Y111 HydrophobicContact CD1-CE2 4.08Å
25	F	83.2	Confident	85.7	Confident	88 Å²	88	68.1 Å²	68.1	39%	0.386	34%	0.337	S	S	.	.			trans	-101.4	-31.8	-177.9	-65	-83.7	0	0	0	113.1	G7 P9 L23 Y38	G7-F25 WeakPolarHBondContact O-CD1 3.16Å; P9-F25 HydrophobicContact CB-CD1 3.75Å; P9-F25 HydrophobicContact CB-CE1 3.67Å; P9-F25 HydrophobicContact CB-CG 4.34Å; P9-F25 HydrophobicContact CB-CZ 4.19Å; P9-F25 HydrophobicContact CG-CD1 4.28Å; P9-F25 HydrophobicContact CG-CE1 3.82Å; P9-F25 HydrophobicContact CG-CZ 4.41Å; L23-F25 HydrophobicContact CB-CD2 4.25Å; L23-F25 HydrophobicContact CB-CE2 3.62Å; L23-F25 HydrophobicContact CB-CZ 3.93Å; L23-F25 HydrophobicContact CD1-CE2 4.3Å; L23-F25 HydrophobicContact CD1-CZ 3.86Å; F25-Y38 WeakPolarHBondContact CD2-OH 3.39Å; F25-Y38 PolarHBondContact N-OH 3.28Å
26	T	84.4	Confident	85.3	Confident	14 Å²	14	69.3 Å²	69.3	9%	0.086	36%	0.364	C	S	.	.	S	Bend	trans	-93.9	152.3	-171.8	51.8	0	0	0	0	111.1	Y4 W10 E28 C29 Y38	Y4-T26 HydrophobicContact CD1-CG2 3.51Å; Y4-T26 HydrophobicContact CE1-CG2 3.67Å; W10-T26 WeakPolarHBondContact CZ2-O 3.31Å; W10-T26 PolarHBondContact NE1-O 2.85Å; T26-E28 WeakPolarHBondContact CB-O 3.36Å; T26-E28 PolarHBondContact O-N 2.83Å; T26-E28 PolarHBondContact OG1-O 2.83Å; T26-C29 PolarHBondContact OG1-SG 2.92Å; T26-Y38 HydrophobicContact CG2-CE2 4.04Å; T26-Y38 WeakPolarHBondContact OG1-CD2 3.06Å; T26-Y38 WeakPolarHBondContact OG1-CE2 3.33Å
27	K	83.5	Confident	85.4	Confident	117 Å²	117	66.5 Å²	66.5	51%	0.509	35%	0.348	S	S	.	.	S	Bend	trans	-58.8	-32.2	178.3	-52.2	-175.2	-168.5	-166.3	0	112.1	V55 K56 E58	K27-V55 CarbonylContact O-C 3.6Å; K27-V55 WeakPolarHBondContact O-CA 3.21Å; K27-K56 PolarHBondContact O-N 3.46Å; K27-E58 HydrophobicContact CD-CG 4.35Å; K27-E58 WeakPolarHBondContact CD-OE1 3.3Å; K27-E58 VanDerWaalsContact CE-CD 3.48Å; K27-E58 WeakPolarHBondContact CE-OE1 3.31Å; K27-E58 IonicContact NZ-OE1 3.18Å; K27-E58 PolarHBondContact NZ-OE1 2.89Å; K27-E58 IonicContact NZ-OE2 3.5Å; K27-E58 PolarHBondContact NZ-OE2 2.89Å
28	E	87.9	Confident	85.9	Confident	86 Å²	86	64.8 Å²	64.8	40%	0.402	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.7	176.6	170.5	168	177.4	0	0	110.1	T26 T30 K53 I54	T26-E28 WeakPolarHBondContact CB-O 3.36Å; T26-E28 PolarHBondContact O-N 2.83Å; T26-E28 PolarHBondContact OG1-O 2.83Å; E28-T30 HydrophobicContact CG-CG2 4.34Å; E28-K53 HydrophobicContact CG-CD 4.35Å; E28-K53 HydrophobicContact CG-CG 4.09Å; E28-K53 VanDerWaalsContact OE1-CD 3.29Å; E28-K53 WeakPolarHBondContact OE1-CD 3.21Å; E28-K53 WeakPolarHBondContact OE1-CE 3.14Å; E28-K53 IonicContact OE1-NZ 2.67Å; E28-K53 PolarHBondContact OE1-NZ 3.36Å; E28-K53 VanDerWaalsContact OE2-CE 3.26Å; E28-K53 WeakPolarHBondContact OE2-CE 3.47Å; E28-K53 IonicContact OE2-NZ 3.94Å; E28-K53 PolarHBondContact OE2-NZ 3.36Å; E28-I54 CarbonylContact C-O 3.53Å; E28-I54 WeakPolarHBondContact CA-O 3.43Å
29	C	89.8	Confident	86.5	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	108	176	-62.9	0	0	0	0	109.1	L24 T26 Y38 I54	L24-C29 HydrophobicContact CD2-CB 4.19Å; T26-C29 PolarHBondContact OG1-SG 2.92Å; C29-Y38 HydrophobicContact CB-CD1 3.95Å; C29-Y38 HydrophobicContact CB-CD2 4.33Å; C29-Y38 HydrophobicContact CB-CE1 4.39Å; C29-Y38 HydrophobicContact CB-CG 3.93Å; C29-I54 HydrophobicContact CB-CB 4.43Å; C29-I54 PolarHBondContact N-O 3Å; C29-I54 PolarHBondContact O-N 3.2Å
30	T	91.5	Very high	87.3	Confident	35 Å²	35	58.3 Å²	58.3	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.4	179.3	50	0	0	0	0	111.9	E28 C37 Y38 L39	E28-T30 HydrophobicContact CG-CG2 4.34Å; T30-C37 CarbonylContact O-C 3.52Å; T30-C37 WeakPolarHBondContact OG1-CA 3.14Å; T30-Y38 WeakPolarHBondContact O-CA 3.38Å; T30-Y38 VanDerWaalsContact O-CB 3.3Å; T30-Y38 WeakPolarHBondContact O-CB 3.22Å; T30-Y38 PolarHBondContact O-N 2.58Å; T30-Y38 PolarHBondContact OG1-N 3.11Å; T30-L39 PolarHBondContact O-N 2.76Å
31	V	91.1	Very high	87.4	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.7	177.4	-171.3	0	0	0	0	108.6	L39 F41 H51 C52 I54 F96	V31-L39 WeakPolarHBondContact CA-O 3.47Å; V31-L39 HydrophobicContact CB-CB 4.49Å; V31-L39 HydrophobicContact CG1-CB 4.16Å; V31-L39 HydrophobicContact CG1-CD2 4.14Å; V31-L39 HydrophobicContact CG1-CG 4.17Å; V31-L39 HydrophobicContact CG2-CB 4.21Å; V31-F41 HydrophobicContact CG1-CD2 4.3Å; V31-F41 HydrophobicContact CG1-CE2 3.76Å; V31-H51 WeakPolarHBondContact O-CA 3.37Å; V31-H51 WeakPolarHBondContact O-CB 3.47Å; V31-H51 PolarHBondContact O-N 3.09Å; V31-C52 PolarHBondContact N-O 2.76Å; V31-C52 PolarHBondContact O-N 3.31Å; V31-I54 HydrophobicContact CG2-CD1 4.36Å; V31-F96 HydrophobicContact CB-CE1 4.43Å; V31-F96 HydrophobicContact CG1-CD1 4.13Å; V31-F96 HydrophobicContact CG1-CD2 4.12Å; V31-F96 HydrophobicContact CG1-CE1 4.06Å; V31-F96 HydrophobicContact CG1-CE2 4.06Å; V31-F96 HydrophobicContact CG1-CG 4.17Å; V31-F96 HydrophobicContact CG1-CZ 4.03Å; V31-F96 HydrophobicContact CG2-CE1 4.21Å; V31-F96 HydrophobicContact CG2-CZ 4.1Å
32	G	90.7	Very high	87.2	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-170.8	-177.7	0	0	0	0	0	115.4	L39 S40 F41 G49	G32-L39 PolarHBondContact N-O 2.79Å; G32-S40 CarbonylContact O-C 3.52Å; G32-S40 WeakPolarHBondContact O-CA 3.25Å; G32-F41 PolarHBondContact O-N 3.49Å; G32-G49 CarbonylContact C-O 3.5Å; G32-G49 WeakPolarHBondContact CA-O 3.36Å
33	R	88.6	Confident	86.8	Confident	102 Å²	102	59.2 Å²	59.2	39%	0.385	31%	0.313	S	S	.	.	S	Bend	trans	-92.8	-17.7	176.6	-168.7	173.8	77.7	-139.7	9.2	113.2	P42 N44 K45 V47 S48 G49	R33-P42 WeakPolarHBondContact O-CA 3.4Å; R33-N44 WeakPolarHBondContact CD-O 3.3Å; R33-K45 PolarHBondContact NH1-O 2.87Å; R33-V47 HydrophobicContact CB-CB 4.46Å; R33-V47 HydrophobicContact CB-CG1 4.42Å; R33-V47 PolarHBondContact NH1-O 3.18Å; R33-S48 WeakPolarHBondContact CB-O 3.22Å; R33-S48 PolarHBondContact N-O 3.09Å; R33-G49 PolarHBondContact N-O 2.86Å
34	K	87.8	Confident	86.5	Confident	105 Å²	105	58 Å²	58	46%	0.457	31%	0.306	S	S	.	.	S	Bend	trans	-68.1	137.5	175	-71.8	178	-171.6	175.1	0	110.1	G36 C37 S40 G49 E50	K34-G36 PolarHBondContact O-N 3.43Å; K34-C37 WeakPolarHBondContact O-CB 3.35Å; K34-C37 PolarHBondContact O-N 3.46Å; K34-S40 PolarHBondContact O-OG 3.04Å; K34-G49 WeakPolarHBondContact CG-O 3.49Å; K34-G49 PolarHBondContact N-O 2.78Å; K34-E50 VanDerWaalsContact CD-OE1 3.25Å; K34-E50 WeakPolarHBondContact CD-OE1 3.16Å; K34-E50 WeakPolarHBondContact CE-OE1 3.31Å; K34-E50 IonicContact NZ-OE1 3.67Å; K34-E50 PolarHBondContact NZ-OE1 2.93Å; K34-E50 IonicContact NZ-OE2 2.85Å; K34-E50 PolarHBondContact NZ-OE2 2.86Å
35	K	79.4	Confident	86.3	Confident	190 Å²	190	66.8 Å²	66.8	83%	0.826	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.7	176.3	-69.8	-172.5	177.8	-178.2	0	114.7
36	G	82.1	Confident	86.3	Confident	76 Å²	76	64.2 Å²	64.2	78%	0.784	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.2	174.7	0	0	0	0	0	115	K34	K34-G36 PolarHBondContact O-N 3.43Å
37	C	86.2	Confident	86.4	Confident	11 Å²	11	63.6 Å²	63.6	7%	0.074	33%	0.331	C	S	.	.	S	Bend	trans	-77.9	140.7	169.9	-69.3	0	0	0	0	110.4	T30 K34 L39	T30-C37 CarbonylContact O-C 3.52Å; T30-C37 WeakPolarHBondContact OG1-CA 3.14Å; K34-C37 WeakPolarHBondContact O-CB 3.35Å; K34-C37 PolarHBondContact O-N 3.46Å; C37-L39 PolarHBondContact O-N 2.8Å
38	Y	88.6	Confident	86.5	Confident	73 Å²	73	58.6 Å²	58.6	29%	0.286	31%	0.311	S	S	.	.	S	Bend	trans	-53.5	-40.1	175.6	-169.6	-78.8	0	0	0	112.3	V22 L23 L24 F25 T26 C29 T30	V22-Y38 HydrophobicContact CG1-CE1 4.22Å; L23-Y38 WeakPolarHBondContact O-CE1 3.48Å; L23-Y38 PolarHBondContact O-OH 3.36Å; L24-Y38 WeakPolarHBondContact CA-OH 3.3Å; L24-Y38 HydrophobicContact CD2-CD1 4.49Å; L24-Y38 HydrophobicContact CD2-CE1 3.92Å; F25-Y38 WeakPolarHBondContact CD2-OH 3.39Å; F25-Y38 PolarHBondContact N-OH 3.28Å; T26-Y38 HydrophobicContact CG2-CE2 4.04Å; T26-Y38 WeakPolarHBondContact OG1-CD2 3.06Å; T26-Y38 WeakPolarHBondContact OG1-CE2 3.33Å; C29-Y38 HydrophobicContact CB-CD1 3.95Å; C29-Y38 HydrophobicContact CB-CD2 4.33Å; C29-Y38 HydrophobicContact CB-CE1 4.39Å; C29-Y38 HydrophobicContact CB-CG 3.93Å; T30-Y38 WeakPolarHBondContact O-CA 3.38Å; T30-Y38 VanDerWaalsContact O-CB 3.3Å; T30-Y38 WeakPolarHBondContact O-CB 3.22Å; T30-Y38 PolarHBondContact O-N 2.58Å; T30-Y38 PolarHBondContact OG1-N 3.11Å
39	L	89.2	Confident	86.4	Confident	18 Å²	18	55.7 Å²	55.7	9%	0.094	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	107.8	167.2	-179.9	56.1	0	0	0	109.1	L13 V22 T30 V31 G32 C37 F41 F96 Y109	L13-L39 HydrophobicContact CD1-CD2 4.17Å; V22-L39 HydrophobicContact CG2-CD1 4.14Å; T30-L39 PolarHBondContact O-N 2.76Å; V31-L39 WeakPolarHBondContact CA-O 3.47Å; V31-L39 HydrophobicContact CB-CB 4.49Å; V31-L39 HydrophobicContact CG1-CB 4.16Å; V31-L39 HydrophobicContact CG1-CD2 4.14Å; V31-L39 HydrophobicContact CG1-CG 4.17Å; V31-L39 HydrophobicContact CG2-CB 4.21Å; G32-L39 PolarHBondContact N-O 2.79Å; C37-L39 PolarHBondContact O-N 2.8Å; L39-F41 HydrophobicContact CD1-CE1 4.48Å; L39-F41 HydrophobicContact CD1-CE2 4.43Å; L39-F41 HydrophobicContact CD1-CZ 4Å; L39-F41 HydrophobicContact CD2-CE2 4.02Å; L39-F41 HydrophobicContact CD2-CZ 3.85Å; L39-F41 HydrophobicContact CG-CE2 3.75Å; L39-F41 HydrophobicContact CG-CZ 3.73Å; L39-F96 HydrophobicContact CD2-CE2 3.93Å; L39-Y109 HydrophobicContact CD2-CE1 4.38Å; L39-Y109 HydrophobicContact CD2-CE2 4.41Å
40	S	88.8	Confident	86.2	Confident	39 Å²	39	59.9 Å²	59.9	27%	0.273	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124	-168.7	172.9	0	0	0	0	112.5	G32 K34 P42	G32-S40 CarbonylContact O-C 3.52Å; G32-S40 WeakPolarHBondContact O-CA 3.25Å; K34-S40 PolarHBondContact O-OG 3.04Å; S40-P42 WeakPolarHBondContact O-CD 3.42Å
41	F	88.3	Confident	86	Confident	32 Å²	32	58.2 Å²	58.2	14%	0.14	31%	0.313	C	S	.	.			trans	-111.9	60.5	178.1	-60.2	-73.7	0	0	0	112	V31 G32 L39 S43 N44 V47 F96 I107 Y109	V31-F41 HydrophobicContact CG1-CD2 4.3Å; V31-F41 HydrophobicContact CG1-CE2 3.76Å; G32-F41 PolarHBondContact O-N 3.49Å; L39-F41 HydrophobicContact CD1-CE1 4.48Å; L39-F41 HydrophobicContact CD1-CE2 4.43Å; L39-F41 HydrophobicContact CD1-CZ 4Å; L39-F41 HydrophobicContact CD2-CE2 4.02Å; L39-F41 HydrophobicContact CD2-CZ 3.85Å; L39-F41 HydrophobicContact CG-CE2 3.75Å; L39-F41 HydrophobicContact CG-CZ 3.73Å; F41-S43 PolarHBondContact O-N 2.81Å; F41-S43 VanDerWaalsContact O-N 3.08Å; F41-N44 HydrophobicContact CB-CB 4.33Å; F41-N44 PolarHBondContact O-N 2.81Å; F41-V47 HydrophobicContact CB-CB 4.4Å; F41-V47 HydrophobicContact CB-CG1 4.4Å; F41-V47 HydrophobicContact CB-CG2 4.08Å; F41-V47 HydrophobicContact CD2-CG1 4.18Å; F41-V47 HydrophobicContact CD2-CG2 4.27Å; F41-V47 HydrophobicContact CG-CG2 4.37Å; F41-F96 HydrophobicContact CE2-CD2 4Å; F41-F96 HydrophobicContact CZ-CD2 4.23Å; F41-I107 HydrophobicContact CD1-CD1 4.19Å; F41-I107 HydrophobicContact CE1-CD1 4.38Å; F41-I107 HydrophobicContact CE1-CG2 4.07Å; F41-I107 HydrophobicContact CE2-CG2 4.45Å; F41-I107 HydrophobicContact CZ-CG2 3.88Å; F41-Y109 HydrophobicContact CE1-CE2 4.25Å; F41-Y109 AromaticContact CZ-CE2 3.68Å; F41-Y109 HydrophobicContact CZ-CE2 3.68Å; F41-Y109 AromaticContact CZ-CZ 3.98Å
42	P	82	Confident	86	Confident	68 Å²	68	58.2 Å²	58.2	44%	0.442	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.3	-163.5	26.6	-35.7	0	0	0	113.9	R33 S40	R33-P42 WeakPolarHBondContact O-CA 3.4Å; S40-P42 WeakPolarHBondContact O-CD 3.42Å
43	S	81.6	Confident	86	Confident	117 Å²	117	60.9 Å²	60.9	82%	0.818	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.8	-179.6	-50.1	0	0	0	0	114.1	F41	F41-S43 PolarHBondContact O-N 2.81Å; F41-S43 VanDerWaalsContact O-N 3.08Å
44	N	83.3	Confident	86.1	Confident	41 Å²	41	56 Å²	56	22%	0.219	31%	0.306	C	S	.	.			trans	-91.8	111.8	-173.4	-167.3	-34.9	0	0	0	111.8	R33 F41 L46 V47 I107	R33-N44 WeakPolarHBondContact CD-O 3.3Å; F41-N44 HydrophobicContact CB-CB 4.33Å; F41-N44 PolarHBondContact O-N 2.81Å; N44-L46 VanDerWaalsContact C-N 3.31Å; N44-L46 PolarHBondContact O-N 3.05Å; N44-L46 VanDerWaalsContact OD1-CB 3.32Å; N44-L46 WeakPolarHBondContact OD1-CB 3.37Å; N44-L46 PolarHBondContact OD1-N 3.24Å; N44-V47 HydrophobicContact CB-CG2 4.08Å; N44-V47 PolarHBondContact O-N 3.02Å; N44-I107 VanDerWaalsContact ND2-CD1 3.33Å; N44-I107 WeakPolarHBondContact ND2-CD1 3.36Å
45	K	85	Confident	86.2	Confident	186 Å²	186	53.1 Å²	53.1	81%	0.809	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.6	-179.3	-67.9	-179	178.7	177.9	0	114.4	R33 V47	R33-K45 PolarHBondContact NH1-O 2.87Å; K45-V47 VanDerWaalsContact C-N 3.3Å
46	L	82.8	Confident	86.6	Confident	35 Å²	35	46.2 Å²	46.2	18%	0.183	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-17.4	176.9	-58.4	179.2	0	0	0	112.6	N44 N71 V97	N44-L46 VanDerWaalsContact C-N 3.31Å; N44-L46 PolarHBondContact O-N 3.05Å; N44-L46 VanDerWaalsContact OD1-CB 3.32Å; N44-L46 WeakPolarHBondContact OD1-CB 3.37Å; N44-L46 PolarHBondContact OD1-N 3.24Å; L46-N71 PolarHBondContact O-ND2 3.36Å; L46-V97 HydrophobicContact CB-CG1 4.03Å; L46-V97 HydrophobicContact CB-CG2 4.04Å; L46-V97 HydrophobicContact CD1-CG1 3.68Å
47	V	86.5	Confident	86.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.243	C	C	.	.	S	Bend	trans	-86	128.4	173.7	-175.2	0	0	0	0	109.3	R33 F41 N44 K45 H51 V97 I107	R33-V47 HydrophobicContact CB-CB 4.46Å; R33-V47 HydrophobicContact CB-CG1 4.42Å; R33-V47 PolarHBondContact NH1-O 3.18Å; F41-V47 HydrophobicContact CB-CB 4.4Å; F41-V47 HydrophobicContact CB-CG1 4.4Å; F41-V47 HydrophobicContact CB-CG2 4.08Å; F41-V47 HydrophobicContact CD2-CG1 4.18Å; F41-V47 HydrophobicContact CD2-CG2 4.27Å; F41-V47 HydrophobicContact CG-CG2 4.37Å; N44-V47 HydrophobicContact CB-CG2 4.08Å; N44-V47 PolarHBondContact O-N 3.02Å; K45-V47 VanDerWaalsContact C-N 3.3Å; V47-H51 HydrophobicContact CG1-CB 3.93Å; V47-V97 HydrophobicContact CG2-CG2 3.78Å; V47-I107 HydrophobicContact CG2-CD1 4.4Å
48	S	86.3	Confident	86.3	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.084	27%	0.267	C	S	.	.			trans	-67.3	163.8	173.9	-67	0	0	0	0	112.4	R33 E50 H51 T70	R33-S48 WeakPolarHBondContact CB-O 3.22Å; R33-S48 PolarHBondContact N-O 3.09Å; S48-E50 CarbonylContact C-O 3.57Å; S48-E50 VanDerWaalsContact C-O 3.28Å; S48-E50 WeakPolarHBondContact CB-O 3.34Å; S48-H51 PolarHBondContact N-ND1 3.11Å; S48-T70 PolarHBondContact OG-N 2.81Å; S48-T70 PolarHBondContact OG-OG1 3.16Å; S48-T70 VanDerWaalsContact OG-OG1 3.12Å
49	G	85.3	Confident	85.6	Confident	24 Å²	24	55.3 Å²	55.3	25%	0.247	29%	0.292	C	S	.	.	S	Bend	trans	-55.3	-65	-174	0	0	0	0	0	113.3	G32 R33 K34	G32-G49 CarbonylContact C-O 3.5Å; G32-G49 WeakPolarHBondContact CA-O 3.36Å; R33-G49 PolarHBondContact N-O 2.86Å; K34-G49 WeakPolarHBondContact CG-O 3.49Å; K34-G49 PolarHBondContact N-O 2.78Å
50	E	86.1	Confident	85.1	Confident	90 Å²	90	57.5 Å²	57.5	42%	0.421	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.2	140.3	-72.4	90.5	-155.4	0	0	107.6	K34 S48	K34-E50 VanDerWaalsContact CD-OE1 3.25Å; K34-E50 WeakPolarHBondContact CD-OE1 3.16Å; K34-E50 WeakPolarHBondContact CE-OE1 3.31Å; K34-E50 IonicContact NZ-OE1 3.67Å; K34-E50 PolarHBondContact NZ-OE1 2.93Å; K34-E50 IonicContact NZ-OE2 2.85Å; K34-E50 PolarHBondContact NZ-OE2 2.86Å; S48-E50 CarbonylContact C-O 3.57Å; S48-E50 VanDerWaalsContact C-O 3.28Å; S48-E50 WeakPolarHBondContact CB-O 3.34Å
51	H	87.6	Confident	84.5	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-52.6	179.6	-165.9	121.9	0	0	0	111.2	V31 V47 S48 D67 T68 S69 T73 F96	V31-H51 WeakPolarHBondContact O-CA 3.37Å; V31-H51 WeakPolarHBondContact O-CB 3.47Å; V31-H51 PolarHBondContact O-N 3.09Å; V47-H51 HydrophobicContact CG1-CB 3.93Å; S48-H51 PolarHBondContact N-ND1 3.11Å; H51-D67 IonicContact CD2-OD1 2.69Å; H51-T68 CarbonylContact O-C 3.52Å; H51-T68 PolarHBondContact O-N 2.91Å; H51-T68 PolarHBondContact O-OG1 2.69Å; H51-S69 WeakPolarHBondContact CD2-CB 3.44Å; H51-S69 WeakPolarHBondContact NE2-CB 3.03Å; H51-S69 PolarHBondContact NE2-OG 3.14Å; H51-S69 VanDerWaalsContact O-CB 3.31Å; H51-S69 WeakPolarHBondContact O-CB 3.27Å; H51-S69 PolarHBondContact O-N 3.26Å; H51-T73 PolarHBondContact CD2-OG1 2.87Å; H51-F96 PolarHBondContact CE1-O 3.48Å; H51-F96 PolarHBondContact NE2-O 2.88Å
52	C	89.3	Confident	84.3	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	167	173.2	65.4	0	0	0	0	110.4	V31 L65 E66 F96	V31-C52 PolarHBondContact N-O 2.76Å; V31-C52 PolarHBondContact O-N 3.31Å; C52-L65 HydrophobicContact CB-CD2 3.81Å; C52-L65 HydrophobicContact CB-CG 4.17Å; C52-E66 CarbonylContact C-O 3.55Å; C52-E66 WeakPolarHBondContact CA-O 3.27Å; C52-E66 WeakPolarHBondContact CB-O 3.31Å; C52-F96 WeakPolarHBondContact SG-CE1 3.4Å
53	K	91.3	Very high	84.7	Confident	56 Å²	56	56.5 Å²	56.5	24%	0.243	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120	-177	167.7	179.1	167.1	143.8	0	107.9	E28 V55 L65 E66	E28-K53 HydrophobicContact CG-CD 4.35Å; E28-K53 HydrophobicContact CG-CG 4.09Å; E28-K53 VanDerWaalsContact OE1-CD 3.29Å; E28-K53 WeakPolarHBondContact OE1-CD 3.21Å; E28-K53 WeakPolarHBondContact OE1-CE 3.14Å; E28-K53 IonicContact OE1-NZ 2.67Å; E28-K53 PolarHBondContact OE1-NZ 3.36Å; E28-K53 VanDerWaalsContact OE2-CE 3.26Å; E28-K53 WeakPolarHBondContact OE2-CE 3.47Å; E28-K53 IonicContact OE2-NZ 3.94Å; E28-K53 PolarHBondContact OE2-NZ 3.36Å; K53-V55 HydrophobicContact CD-CG2 4.13Å; K53-V55 VanDerWaalsContact CE-CG2 3.44Å; K53-V55 HydrophobicContact CG-CG2 3.69Å; K53-L65 WeakPolarHBondContact O-CA 3.21Å; K53-E66 HydrophobicContact CB-CB 4.4Å; K53-E66 PolarHBondContact N-O 3.48Å; K53-E66 PolarHBondContact O-N 3.4Å
54	I	91.8	Very high	85.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125	175.8	-53.4	177.5	0	0	0	107.5	W10 L13 L24 E28 C29 V31 V63 W64 L65 L88	W10-I54 HydrophobicContact CH2-CG2 4.05Å; L13-I54 HydrophobicContact CD1-CD1 4.01Å; L13-I54 HydrophobicContact CD2-CD1 4.33Å; L24-I54 HydrophobicContact CD1-CG2 4.5Å; E28-I54 CarbonylContact C-O 3.53Å; E28-I54 WeakPolarHBondContact CA-O 3.43Å; C29-I54 HydrophobicContact CB-CB 4.43Å; C29-I54 PolarHBondContact N-O 3Å; C29-I54 PolarHBondContact O-N 3.2Å; V31-I54 HydrophobicContact CG2-CD1 4.36Å; I54-V63 HydrophobicContact CG2-CG1 3.62Å; I54-W64 CarbonylContact C-O 3.55Å; I54-W64 VanDerWaalsContact CA-O 3.31Å; I54-W64 WeakPolarHBondContact CA-O 3.49Å; I54-L65 HydrophobicContact CD1-CD1 4.48Å; I54-L65 HydrophobicContact CG1-CD1 4.18Å; I54-L65 HydrophobicContact CG1-CG 4.31Å; I54-L88 HydrophobicContact CD1-CD1 4.43Å; I54-L88 HydrophobicContact CG2-CD1 3.96Å
55	V	90.2	Very high	85.4	Confident	44 Å²	44	53.2 Å²	53.2	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.7	-176.6	-169.9	0	0	0	0	109.6	K27 K53 V63 W64	K27-V55 CarbonylContact O-C 3.6Å; K27-V55 WeakPolarHBondContact O-CA 3.21Å; K53-V55 HydrophobicContact CD-CG2 4.13Å; K53-V55 VanDerWaalsContact CE-CG2 3.44Å; K53-V55 HydrophobicContact CG-CG2 3.69Å; V55-V63 CarbonylContact O-C 3.56Å; V55-V63 WeakPolarHBondContact O-CA 3.47Å; V55-W64 PolarHBondContact N-O 2.86Å; V55-W64 PolarHBondContact O-N 2.88Å
56	K	87.4	Confident	85.6	Confident	46 Å²	46	47.3 Å²	47.3	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.9	163.5	-178.5	168.7	-179.2	175.2	0	109	W10 K27 G61 V63	W10-K56 HydrophobicContact CB-CD 3.9Å; W10-K56 HydrophobicContact CD2-CB 4Å; W10-K56 HydrophobicContact CD2-CD 3.68Å; W10-K56 HydrophobicContact CD2-CG 4.45Å; W10-K56 HydrophobicContact CE3-CB 4.13Å; W10-K56 HydrophobicContact CE3-CD 3.86Å; W10-K56 HydrophobicContact CG-CD 3.71Å; W10-K56 HydrophobicContact CH2-CB 4.05Å; W10-K56 HydrophobicContact CZ2-CB 3.9Å; W10-K56 HydrophobicContact CZ3-CB 4.18Å; K27-K56 PolarHBondContact O-N 3.46Å; K56-G61 WeakPolarHBondContact CE-O 3.36Å; K56-V63 HydrophobicContact CB-CG2 4.05Å; K56-V63 HydrophobicContact CD-CG2 4.33Å; K56-V63 HydrophobicContact CG-CG2 4.04Å
57	D	85.4	Confident	85.9	Confident	52 Å²	52	45.6 Å²	45.6	28%	0.278	24%	0.238	S	C	.	.			trans	-77.9	139.5	166.1	169.6	43.3	0	0	0	109.9	H59 S60 G61 L62	D57-H59 IonicContact OD1-CG 3.26Å; D57-H59 PolarHBondContact OD1-N 3.12Å; D57-H59 VanDerWaalsContact OD1-N 3.14Å; D57-H59 IonicContact OD1-ND1 3.95Å; D57-H59 PolarHBondContact OD1-ND1 3.49Å; D57-H59 PolarHBondContact OD2-N 2.78Å; D57-S60 VanDerWaalsContact OD2-CB 3.25Å; D57-S60 WeakPolarHBondContact OD2-CB 3.36Å; D57-S60 PolarHBondContact OD2-N 2.83Å; D57-S60 PolarHBondContact OD2-OG 2.94Å; D57-G61 WeakPolarHBondContact O-CA 3.44Å; D57-G61 PolarHBondContact O-N 2.89Å; D57-L62 PolarHBondContact N-O 2.9Å
58	E	76.4	Confident	85.9	Confident	125 Å²	125	47.6 Å²	47.6	58%	0.584	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-23.2	-177.2	-63.9	-176.9	122.9	0	0	112.7	K27	K27-E58 HydrophobicContact CD-CG 4.35Å; K27-E58 WeakPolarHBondContact CD-OE1 3.3Å; K27-E58 VanDerWaalsContact CE-CD 3.48Å; K27-E58 WeakPolarHBondContact CE-OE1 3.31Å; K27-E58 IonicContact NZ-OE1 3.18Å; K27-E58 PolarHBondContact NZ-OE1 2.89Å; K27-E58 IonicContact NZ-OE2 3.5Å; K27-E58 PolarHBondContact NZ-OE2 2.89Å
59	H	74	Confident	85.8	Confident	174 Å²	174	47.1 Å²	47.1	81%	0.806	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-42.6	-175.5	-57.3	87.7	0	0	0	112.5	D57	D57-H59 IonicContact OD1-CG 3.26Å; D57-H59 PolarHBondContact OD1-N 3.12Å; D57-H59 VanDerWaalsContact OD1-N 3.14Å; D57-H59 IonicContact OD1-ND1 3.95Å; D57-H59 PolarHBondContact OD1-ND1 3.49Å; D57-H59 PolarHBondContact OD2-N 2.78Å
60	S	77.4	Confident	85.5	Confident	64 Å²	64	51.6 Å²	51.6	45%	0.448	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-15.7	175.3	64.8	0	0	0	0	113.6	D57 L62	D57-S60 VanDerWaalsContact OD2-CB 3.25Å; D57-S60 WeakPolarHBondContact OD2-CB 3.36Å; D57-S60 PolarHBondContact OD2-N 2.83Å; D57-S60 PolarHBondContact OD2-OG 2.94Å; S60-L62 PolarHBondContact O-N 3.34Å; S60-L62 VanDerWaalsContact O-N 3.11Å; S60-L62 WeakPolarHBondContact OG-CB 3.21Å; S60-L62 PolarHBondContact OG-N 2.69Å
61	G	76.7	Confident	85.1	Confident	32 Å²	32	51.4 Å²	51.4	33%	0.33	27%	0.271	S	S	.	.			trans	68.7	-2.2	-172	0	0	0	0	0	114.7	K56 D57	K56-G61 WeakPolarHBondContact CE-O 3.36Å; D57-G61 WeakPolarHBondContact O-CA 3.44Å; D57-G61 PolarHBondContact O-N 2.89Å
62	L	84.1	Confident	84.8	Confident	79 Å²	79	52 Å²	52	41%	0.414	28%	0.279	S	S	.	.			trans	-72.2	151.6	-178.7	-64.7	175.7	0	0	0	111.6	D57 S60 W64 V87	D57-L62 PolarHBondContact N-O 2.9Å; S60-L62 PolarHBondContact O-N 3.34Å; S60-L62 VanDerWaalsContact O-N 3.11Å; S60-L62 WeakPolarHBondContact OG-CB 3.21Å; S60-L62 PolarHBondContact OG-N 2.69Å; L62-W64 HydrophobicContact CD1-CZ2 4.23Å; L62-V87 HydrophobicContact CD2-CG1 4.4Å
63	V	89.8	Confident	84.7	Confident	7 Å²	7	52 Å²	52	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.6	178.7	-179.2	0	0	0	0	109	W10 I54 V55 K56 V87 L88 Y111	W10-V63 HydrophobicContact CE3-CG2 3.95Å; W10-V63 HydrophobicContact CH2-CG1 3.92Å; W10-V63 HydrophobicContact CH2-CG2 4.35Å; W10-V63 HydrophobicContact CZ3-CB 4.28Å; W10-V63 HydrophobicContact CZ3-CG1 3.68Å; W10-V63 HydrophobicContact CZ3-CG2 3.55Å; I54-V63 HydrophobicContact CG2-CG1 3.62Å; V55-V63 CarbonylContact O-C 3.56Å; V55-V63 WeakPolarHBondContact O-CA 3.47Å; K56-V63 HydrophobicContact CB-CG2 4.05Å; K56-V63 HydrophobicContact CD-CG2 4.33Å; K56-V63 HydrophobicContact CG-CG2 4.04Å; V63-V87 CarbonylContact O-C 3.55Å; V63-V87 WeakPolarHBondContact O-CA 3.46Å; V63-L88 HydrophobicContact CB-CB 4.45Å; V63-L88 HydrophobicContact CG1-CB 4.26Å; V63-L88 HydrophobicContact CG1-CD1 4.17Å; V63-L88 PolarHBondContact O-N 3.41Å; V63-Y111 WeakPolarHBondContact CG2-OH 3.25Å
64	W	89.6	Confident	84.5	Confident	89 Å²	89	49.8 Å²	49.8	34%	0.337	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.8	-173.9	-60.2	84.5	0	0	0	110.2	I54 V55 L62 H86 V87	I54-W64 CarbonylContact C-O 3.55Å; I54-W64 VanDerWaalsContact CA-O 3.31Å; I54-W64 WeakPolarHBondContact CA-O 3.49Å; V55-W64 PolarHBondContact N-O 2.86Å; V55-W64 PolarHBondContact O-N 2.88Å; L62-W64 HydrophobicContact CD1-CZ2 4.23Å; W64-H86 CarbonylContact C-O 3.53Å; W64-H86 WeakPolarHBondContact CA-O 3.33Å; W64-V87 HydrophobicContact CD2-CG2 4.08Å; W64-V87 HydrophobicContact CE3-CG2 3.67Å; W64-V87 HydrophobicContact CH2-CG2 3.48Å; W64-V87 VanDerWaalsContact CH2-CG2 3.48Å; W64-V87 HydrophobicContact CZ2-CG2 3.88Å; W64-V87 HydrophobicContact CZ3-CG2 3.37Å
65	L	91.5	Very high	84.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119	168.1	-172.8	154.1	0	0	0	109.3	C52 K53 I54 T73 I75 T85 H86 L88 I94 F96	C52-L65 HydrophobicContact CB-CD2 3.81Å; C52-L65 HydrophobicContact CB-CG 4.17Å; K53-L65 WeakPolarHBondContact O-CA 3.21Å; I54-L65 HydrophobicContact CD1-CD1 4.48Å; I54-L65 HydrophobicContact CG1-CD1 4.18Å; I54-L65 HydrophobicContact CG1-CG 4.31Å; L65-T73 HydrophobicContact CD1-CG2 4.24Å; L65-T73 HydrophobicContact CD2-CG2 4.08Å; L65-I75 HydrophobicContact CB-CD1 4.33Å; L65-I75 HydrophobicContact CD1-CD1 4.26Å; L65-I75 HydrophobicContact CD2-CD1 4.36Å; L65-T85 CarbonylContact O-C 3.44Å; L65-T85 VanDerWaalsContact O-CA 3.3Å; L65-T85 WeakPolarHBondContact O-CA 2.94Å; L65-H86 PolarHBondContact N-O 2.85Å; L65-H86 PolarHBondContact O-N 3.4Å; L65-L88 HydrophobicContact CB-CD1 4.07Å; L65-L88 HydrophobicContact CB-CD2 4.31Å; L65-L88 HydrophobicContact CB-CG 4.08Å; L65-L88 HydrophobicContact CD1-CD1 4.4Å; L65-I94 HydrophobicContact CD1-CD1 4.05Å; L65-I94 HydrophobicContact CD1-CG2 3.67Å; L65-F96 HydrophobicContact CD1-CE1 4.44Å
66	E	88.9	Confident	83.9	Confident	61 Å²	61	51.5 Å²	51.5	29%	0.285	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.9	170.5	-171.6	-169.9	167.5	0	0	109.6	C52 K53 T68 T85	C52-E66 CarbonylContact C-O 3.55Å; C52-E66 WeakPolarHBondContact CA-O 3.27Å; C52-E66 WeakPolarHBondContact CB-O 3.31Å; K53-E66 HydrophobicContact CB-CB 4.4Å; K53-E66 PolarHBondContact N-O 3.48Å; K53-E66 PolarHBondContact O-N 3.4Å; E66-T68 HydrophobicContact CG-CG2 4.49Å; E66-T85 HydrophobicContact CB-CG2 3.97Å; E66-T85 HydrophobicContact CG-CG2 4.07Å
67	D	89	Confident	83.2	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.5	173.4	-178.9	83.1	0	0	0	111	H51 S69 T73 V80 R82 K83 Q84	H51-D67 IonicContact CD2-OD1 2.69Å; D67-S69 PolarHBondContact OD1-OG 2.92Å; D67-S69 PolarHBondContact OD2-N 3.46Å; D67-S69 PolarHBondContact OD2-OG 2.9Å; D67-S69 VanDerWaalsContact OD2-OG 3.12Å; D67-T73 WeakPolarHBondContact OD1-CB 3.38Å; D67-T73 PolarHBondContact OD1-N 3.12Å; D67-T73 PolarHBondContact OD1-OG1 3.35Å; D67-V80 HydrophobicContact CB-CB 4.35Å; D67-V80 HydrophobicContact CB-CG1 3.89Å; D67-R82 CarbonylContact O-C 3.52Å; D67-R82 WeakPolarHBondContact O-CA 3.33Å; D67-R82 WeakPolarHBondContact OD2-CA 3.36Å; D67-K83 PolarHBondContact O-N 2.78Å; D67-Q84 PolarHBondContact N-O 3.37Å
68	T	85.1	Confident	82.8	Confident	43 Å²	43	55 Å²	55	26%	0.264	31%	0.311	S	S	.	.			trans	-109.8	-4.3	175.6	56.9	0	0	0	0	112.8	H51 E66 R82	H51-T68 CarbonylContact O-C 3.52Å; H51-T68 PolarHBondContact O-N 2.91Å; H51-T68 PolarHBondContact O-OG1 2.69Å; E66-T68 HydrophobicContact CG-CG2 4.49Å; T68-R82 PolarHBondContact O-NE 3.12Å
69	S	84.8	Confident	83	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	31%	0.31	C	S	.	.	S	Bend	trans	-70.3	173.5	-167.4	77.4	0	0	0	0	114.9	H51 D67 N71 G72 R82	H51-S69 WeakPolarHBondContact CD2-CB 3.44Å; H51-S69 WeakPolarHBondContact NE2-CB 3.03Å; H51-S69 PolarHBondContact NE2-OG 3.14Å; H51-S69 VanDerWaalsContact O-CB 3.31Å; H51-S69 WeakPolarHBondContact O-CB 3.27Å; H51-S69 PolarHBondContact O-N 3.26Å; D67-S69 PolarHBondContact OD1-OG 2.92Å; D67-S69 PolarHBondContact OD2-N 3.46Å; D67-S69 PolarHBondContact OD2-OG 2.9Å; D67-S69 VanDerWaalsContact OD2-OG 3.12Å; S69-N71 PolarHBondContact OG-N 3Å; S69-G72 VanDerWaalsContact OG-CA 3.31Å; S69-G72 WeakPolarHBondContact OG-CA 3.32Å; S69-G72 PolarHBondContact OG-N 2.82Å; S69-R82 WeakPolarHBondContact O-CD 3.32Å; S69-R82 WeakPolarHBondContact O-CG 3.35Å; S69-R82 PolarHBondContact O-NE 3.18Å
70	T	80.2	Confident	83.2	Confident	118 Å²	118	47.2 Å²	47.2	72%	0.724	27%	0.274	S	S	*	.	S	Bend	trans	-87.7	-27.4	172.7	-39.3	0	0	0	0	111.8	S48	S48-T70 PolarHBondContact OG-N 2.81Å; S48-T70 PolarHBondContact OG-OG1 3.16Å; S48-T70 VanDerWaalsContact OG-OG1 3.12Å
71	N	76.6	Confident	82.9	Confident	86 Å²	86	48 Å²	48	46%	0.46	28%	0.276	S	S	.	.	S	Bend	trans	-100.2	-24.1	-169.8	-68.6	-31.3	0	0	0	113	L46 S69 K79	L46-N71 PolarHBondContact O-ND2 3.36Å; S69-N71 PolarHBondContact OG-N 3Å; N71-K79 WeakPolarHBondContact O-CE 3.37Å; N71-K79 PolarHBondContact O-NZ 2.87Å
72	G	80.8	Confident	82.6	Confident	15 Å²	15	54.4 Å²	54.4	16%	0.155	29%	0.29	C	S	.	.			trans	80.9	120.7	-176.7	0	0	0	0	0	113.2	S69	S69-G72 VanDerWaalsContact OG-CA 3.31Å; S69-G72 WeakPolarHBondContact OG-CA 3.32Å; S69-G72 PolarHBondContact OG-N 2.82Å
73	T	87.1	Confident	82	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.			trans	-63.3	143	172	-53.3	0	0	0	0	110.7	H51 L65 D67 I75 V80 I94 F96	H51-T73 PolarHBondContact CD2-OG1 2.87Å; L65-T73 HydrophobicContact CD1-CG2 4.24Å; L65-T73 HydrophobicContact CD2-CG2 4.08Å; D67-T73 WeakPolarHBondContact OD1-CB 3.38Å; D67-T73 PolarHBondContact OD1-N 3.12Å; D67-T73 PolarHBondContact OD1-OG1 3.35Å; T73-I75 HydrophobicContact CG2-CG1 4.44Å; T73-V80 PolarHBondContact O-N 3.19Å; T73-I94 HydrophobicContact CG2-CG2 3.68Å; T73-F96 HydrophobicContact CG2-CD1 4.25Å
74	V	87.8	Confident	81.4	Confident	10 Å²	10	63.3 Å²	63.3	6%	0.061	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.3	175.7	177.3	0	0	0	0	109.4	S78 K79 Y95 Y98	V74-S78 CarbonylContact C-O 3.55Å; V74-S78 WeakPolarHBondContact CA-O 3.36Å; V74-K79 HydrophobicContact CG2-CB 4.1Å; V74-K79 HydrophobicContact CG2-CG 4.06Å; V74-Y95 PolarHBondContact N-O 3.38Å; V74-Y95 VanDerWaalsContact N-O 3.11Å; V74-Y95 PolarHBondContact O-N 3.32Å; V74-Y98 HydrophobicContact CG2-CD1 4.26Å; V74-Y98 HydrophobicContact CG2-CG 4.3Å
75	I	86.8	Confident	81	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.6	178.5	-56	170.7	0	0	0	107.8	L65 T73 S77 S78 V80 H86 L88 D92 V93 I94	L65-I75 HydrophobicContact CB-CD1 4.33Å; L65-I75 HydrophobicContact CD1-CD1 4.26Å; L65-I75 HydrophobicContact CD2-CD1 4.36Å; T73-I75 HydrophobicContact CG2-CG1 4.44Å; I75-S77 VanDerWaalsContact C-N 3.25Å; I75-S77 PolarHBondContact O-N 3.34Å; I75-S77 VanDerWaalsContact O-N 3.16Å; I75-S78 PolarHBondContact N-O 3.07Å; I75-S78 WeakPolarHBondContact O-CA 3.15Å; I75-S78 WeakPolarHBondContact O-CB 3.29Å; I75-S78 PolarHBondContact O-N 2.85Å; I75-S78 VanDerWaalsContact O-O 3.11Å; I75-V80 HydrophobicContact CD1-CG2 3.74Å; I75-V80 HydrophobicContact CG1-CG2 4.14Å; I75-H86 HydrophobicContact CD1-CB 3.77Å; I75-L88 HydrophobicContact CD1-CD2 3.88Å; I75-L88 HydrophobicContact CG2-CD2 4.36Å; I75-D92 HydrophobicContact CG2-CB 4.15Å; I75-V93 WeakPolarHBondContact CA-O 3.26Å; I75-I94 HydrophobicContact CG1-CG1 4.46Å; I75-I94 HydrophobicContact CG1-CG2 4.35Å
76	N	81.8	Confident	80.7	Confident	79 Å²	79	66.2 Å²	66.2	42%	0.422	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.4	179.8	-60.4	-18.6	0	0	0	113.2	S78 D92 V93	N76-S78 PolarHBondContact O-N 2.83Å; N76-S78 VanDerWaalsContact O-N 3.11Å; N76-D92 PolarHBondContact ND2-OD1 2.87Å; N76-V93 PolarHBondContact N-O 2.91Å; N76-V93 PolarHBondContact OD1-N 2.93Å
77	S	73	Confident	80.7	Confident	97 Å²	97	65.4 Å²	65.4	68%	0.678	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-1.9	-173	-55.3	0	0	0	0	117.2	I75	I75-S77 VanDerWaalsContact C-N 3.25Å; I75-S77 PolarHBondContact O-N 3.34Å; I75-S77 VanDerWaalsContact O-N 3.16Å
78	S	77.1	Confident	80.6	Confident	74 Å²	74	65.9 Å²	65.9	52%	0.517	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130	172.6	-62.6	0	0	0	0	110.7	V74 I75 N76	V74-S78 CarbonylContact C-O 3.55Å; V74-S78 WeakPolarHBondContact CA-O 3.36Å; I75-S78 PolarHBondContact N-O 3.07Å; I75-S78 WeakPolarHBondContact O-CA 3.15Å; I75-S78 WeakPolarHBondContact O-CB 3.29Å; I75-S78 PolarHBondContact O-N 2.85Å; I75-S78 VanDerWaalsContact O-O 3.11Å; N76-S78 PolarHBondContact O-N 2.83Å; N76-S78 VanDerWaalsContact O-N 3.11Å
79	K	80.7	Confident	80.7	Confident	128 Å²	128	70.3 Å²	70.3	56%	0.557	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.9	-178.5	-173.9	174.6	-175.2	178.4	0	111.4	N71 V74	N71-K79 WeakPolarHBondContact O-CE 3.37Å; N71-K79 PolarHBondContact O-NZ 2.87Å; V74-K79 HydrophobicContact CG2-CB 4.1Å; V74-K79 HydrophobicContact CG2-CG 4.06Å
80	V	79.3	Confident	80.8	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.042	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-77	128.7	167.8	-172.5	0	0	0	0	108	D67 T73 I75 Q84 H86	D67-V80 HydrophobicContact CB-CB 4.35Å; D67-V80 HydrophobicContact CB-CG1 3.89Å; T73-V80 PolarHBondContact O-N 3.19Å; I75-V80 HydrophobicContact CD1-CG2 3.74Å; I75-V80 HydrophobicContact CG1-CG2 4.14Å; V80-Q84 HydrophobicContact CG1-CB 3.85Å; V80-Q84 WeakPolarHBondContact CG1-O 3.12Å; V80-H86 HydrophobicContact CG2-CB 3.99Å
81	V	69.8	Low	80.9	Confident	81 Å²	81	71.3 Å²	71.3	49%	0.491	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-91.9	146.9	177	-173.4	0	0	0	0	109.4	K83 Q84	V81-K83 PolarHBondContact O-N 3.37Å; V81-Q84 HydrophobicContact CB-CG 4.35Å; V81-Q84 WeakPolarHBondContact O-CB 3.46Å; V81-Q84 WeakPolarHBondContact O-CG 3.43Å; V81-Q84 PolarHBondContact O-N 2.88Å
82	R	71.8	Confident	81.6	Confident	166 Å²	166	67.9 Å²	67.9	63%	0.626	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	129	-179.1	-166.4	-176.7	-171.2	-151.7	-2.8	113.3	D67 T68 S69 Q84	D67-R82 CarbonylContact O-C 3.52Å; D67-R82 WeakPolarHBondContact O-CA 3.33Å; D67-R82 WeakPolarHBondContact OD2-CA 3.36Å; T68-R82 PolarHBondContact O-NE 3.12Å; S69-R82 WeakPolarHBondContact O-CD 3.32Å; S69-R82 WeakPolarHBondContact O-CG 3.35Å; S69-R82 PolarHBondContact O-NE 3.18Å; R82-Q84 VanDerWaalsContact C-N 3.32Å
83	K	71.5	Confident	82	Confident	172 Å²	172	69 Å²	69	75%	0.748	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	10.9	-170.6	-57.9	-165.5	176.7	-167.4	0	116.5	D67 V81	D67-K83 PolarHBondContact O-N 2.78Å; V81-K83 PolarHBondContact O-N 3.37Å
84	Q	76.1	Confident	82.2	Confident	102 Å²	102	69 Å²	69	48%	0.477	36%	0.364	S	S	.	.			trans	-87.8	146.7	164.7	-62.4	177.3	-27.4	0	0	110.2	D67 V80 V81 R82	D67-Q84 PolarHBondContact N-O 3.37Å; V80-Q84 HydrophobicContact CG1-CB 3.85Å; V80-Q84 WeakPolarHBondContact CG1-O 3.12Å; V81-Q84 HydrophobicContact CB-CG 4.35Å; V81-Q84 WeakPolarHBondContact O-CB 3.46Å; V81-Q84 WeakPolarHBondContact O-CG 3.43Å; V81-Q84 PolarHBondContact O-N 2.88Å; R82-Q84 VanDerWaalsContact C-N 3.32Å
85	T	82.1	Confident	82.3	Confident	84 Å²	84	71.2 Å²	71.2	52%	0.515	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.3	172.1	50.4	0	0	0	0	110.5	L65 E66	L65-T85 CarbonylContact O-C 3.44Å; L65-T85 VanDerWaalsContact O-CA 3.3Å; L65-T85 WeakPolarHBondContact O-CA 2.94Å; E66-T85 HydrophobicContact CB-CG2 3.97Å; E66-T85 HydrophobicContact CG-CG2 4.07Å
86	H	85.4	Confident	82.4	Confident	66 Å²	66	71.3 Å²	71.3	31%	0.306	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.4	176.4	-168.2	-77.8	0	0	0	109.9	W64 L65 I75 V80	W64-H86 CarbonylContact C-O 3.53Å; W64-H86 WeakPolarHBondContact CA-O 3.33Å; L65-H86 PolarHBondContact N-O 2.85Å; L65-H86 PolarHBondContact O-N 3.4Å; I75-H86 HydrophobicContact CD1-CB 3.77Å; V80-H86 HydrophobicContact CG2-CB 3.99Å
87	V	88.2	Confident	82.6	Confident	44 Å²	44	68 Å²	68	27%	0.267	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129	173.9	-176.8	0	0	0	0	109	L62 V63 W64	L62-V87 HydrophobicContact CD2-CG1 4.4Å; V63-V87 CarbonylContact O-C 3.55Å; V63-V87 WeakPolarHBondContact O-CA 3.46Å; W64-V87 HydrophobicContact CD2-CG2 4.08Å; W64-V87 HydrophobicContact CE3-CG2 3.67Å; W64-V87 HydrophobicContact CH2-CG2 3.48Å; W64-V87 VanDerWaalsContact CH2-CG2 3.48Å; W64-V87 HydrophobicContact CZ2-CG2 3.88Å; W64-V87 HydrophobicContact CZ3-CG2 3.37Å
88	L	87.4	Confident	83.1	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.047	34%	0.34	C	S	.	.			trans	-93.1	126.1	175.3	-70	180	0	0	0	111.2	I54 V63 L65 I75 D92 I94 Y111	I54-L88 HydrophobicContact CD1-CD1 4.43Å; I54-L88 HydrophobicContact CG2-CD1 3.96Å; V63-L88 HydrophobicContact CB-CB 4.45Å; V63-L88 HydrophobicContact CG1-CB 4.26Å; V63-L88 HydrophobicContact CG1-CD1 4.17Å; V63-L88 PolarHBondContact O-N 3.41Å; L65-L88 HydrophobicContact CB-CD1 4.07Å; L65-L88 HydrophobicContact CB-CD2 4.31Å; L65-L88 HydrophobicContact CB-CG 4.08Å; L65-L88 HydrophobicContact CD1-CD1 4.4Å; I75-L88 HydrophobicContact CD1-CD2 3.88Å; I75-L88 HydrophobicContact CG2-CD2 4.36Å; L88-D92 WeakPolarHBondContact CA-OD2 3.45Å; L88-D92 HydrophobicContact CD2-CB 4.34Å; L88-I94 HydrophobicContact CD1-CD1 3.69Å; L88-I94 HydrophobicContact CD2-CD1 3.65Å; L88-I94 HydrophobicContact CD2-CG1 3.92Å; L88-I94 HydrophobicContact CG-CD1 4.35Å; L88-Y111 HydrophobicContact CB-CD1 3.66Å; L88-Y111 HydrophobicContact CB-CE1 3.92Å; L88-Y111 HydrophobicContact CB-CG 4.35Å; L88-Y111 HydrophobicContact CD1-CD1 4.38Å; L88-Y111 HydrophobicContact CD1-CG 4.26Å
89	Q	86.2	Confident	83.2	Confident	136 Å²	136	69.4 Å²	69.4	64%	0.636	34%	0.335	S	S	*	.			trans	-104.4	157.1	175.4	-57.6	-168.7	11.7	0	0	111.7	G91 D92 Y111	Q89-G91 PolarHBondContact O-N 2.67Å; Q89-G91 VanDerWaalsContact O-N 3.09Å; Q89-D92 PolarHBondContact N-OD2 3.18Å; Q89-D92 WeakPolarHBondContact O-CB 3.21Å; Q89-D92 PolarHBondContact O-N 2.84Å; Q89-D92 VanDerWaalsContact O-N 3.1Å; Q89-Y111 WeakPolarHBondContact O-CD1 3.36Å
90	N	86.2	Confident	83	Confident	102 Å²	102	72 Å²	72	55%	0.545	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	106.9	-179.4	178.9	92	0	0	0	111	H112 S113	N90-H112 WeakPolarHBondContact OD1-CA 3.49Å; N90-H112 WeakPolarHBondContact OD1-CB 3.44Å; N90-S113 PolarHBondContact OD1-N 2.85Å
91	G	83.8	Confident	82.9	Confident	39 Å²	39	76.5 Å²	76.5	40%	0.402	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	121.1	-9.2	-173.8	0	0	0	0	0	113.9	Q89 V93 Y111	Q89-G91 PolarHBondContact O-N 2.67Å; Q89-G91 VanDerWaalsContact O-N 3.09Å; G91-V93 PolarHBondContact O-N 3.15Å; G91-Y111 PolarHBondContact N-O 2.76Å
92	D	89.8	Confident	83.3	Confident	14 Å²	14	75.1 Å²	75.1	8%	0.075	37%	0.367	C	S	.	.			trans	-64.2	131.2	-177	-79	-7.7	0	0	0	112.9	I75 N76 L88 Q89 V110 Y111	I75-D92 HydrophobicContact CG2-CB 4.15Å; N76-D92 PolarHBondContact ND2-OD1 2.87Å; L88-D92 WeakPolarHBondContact CA-OD2 3.45Å; L88-D92 HydrophobicContact CD2-CB 4.34Å; Q89-D92 PolarHBondContact N-OD2 3.18Å; Q89-D92 WeakPolarHBondContact O-CB 3.21Å; Q89-D92 PolarHBondContact O-N 2.84Å; Q89-D92 VanDerWaalsContact O-N 3.1Å; D92-V110 CarbonylContact O-C 3.57Å; D92-V110 WeakPolarHBondContact O-CA 3.14Å; D92-Y111 PolarHBondContact O-N 2.94Å
93	V	89.5	Confident	83.6	Confident	38 Å²	38	71.2 Å²	71.2	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.7	177.2	-167.2	0	0	0	0	109.7	V16 I75 N76 G91 Y95 A108 V110	V16-V93 HydrophobicContact CG2-CG1 4.31Å; I75-V93 WeakPolarHBondContact CA-O 3.26Å; N76-V93 PolarHBondContact N-O 2.91Å; N76-V93 PolarHBondContact OD1-N 2.93Å; G91-V93 PolarHBondContact O-N 3.15Å; V93-Y95 HydrophobicContact CB-CE2 4.14Å; V93-Y95 HydrophobicContact CG1-CD2 4.2Å; V93-Y95 HydrophobicContact CG1-CE2 3.53Å; V93-A108 HydrophobicContact CG1-CB 4.4Å; V93-V110 HydrophobicContact CG2-CG2 4.34Å
94	I	91.6	Very high	83.9	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.1	-177.6	-49.6	170.6	0	0	0	109.2	L13 L65 T73 I75 L88 F96 A108 Y109	L13-I94 HydrophobicContact CD2-CD1 4.05Å; L65-I94 HydrophobicContact CD1-CD1 4.05Å; L65-I94 HydrophobicContact CD1-CG2 3.67Å; T73-I94 HydrophobicContact CG2-CG2 3.68Å; I75-I94 HydrophobicContact CG1-CG1 4.46Å; I75-I94 HydrophobicContact CG1-CG2 4.35Å; L88-I94 HydrophobicContact CD1-CD1 3.69Å; L88-I94 HydrophobicContact CD2-CD1 3.65Å; L88-I94 HydrophobicContact CD2-CG1 3.92Å; L88-I94 HydrophobicContact CG-CD1 4.35Å; I94-F96 HydrophobicContact CB-CE1 4.48Å; I94-F96 HydrophobicContact CG2-CD1 3.93Å; I94-F96 HydrophobicContact CG2-CE1 3.43Å; I94-F96 VanDerWaalsContact CG2-CE1 3.43Å; I94-F96 HydrophobicContact CG2-CZ 3.91Å; I94-A108 CarbonylContact O-C 3.56Å; I94-A108 WeakPolarHBondContact O-CA 3.46Å; I94-Y109 PolarHBondContact N-O 2.86Å; I94-Y109 PolarHBondContact O-N 3.21Å
95	Y	89.9	Confident	84.1	Confident	56 Å²	56	69.6 Å²	69.6	22%	0.22	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	105.3	174.6	-63.2	-100	0	0	0	110.2	V74 V93 V97 Y98 I107 A108	V74-Y95 PolarHBondContact N-O 3.38Å; V74-Y95 VanDerWaalsContact N-O 3.11Å; V74-Y95 PolarHBondContact O-N 3.32Å; V93-Y95 HydrophobicContact CB-CE2 4.14Å; V93-Y95 HydrophobicContact CG1-CD2 4.2Å; V93-Y95 HydrophobicContact CG1-CE2 3.53Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; Y95-Y98 AromaticContact CD1-CD2 3.85Å; Y95-Y98 HydrophobicContact CD1-CD2 3.85Å; Y95-Y98 HydrophobicContact CE1-CD2 4.23Å; Y95-Y98 HydrophobicContact CG-CD2 4.07Å; Y95-I107 CarbonylContact C-O 3.55Å; Y95-I107 VanDerWaalsContact CA-O 3.3Å; Y95-I107 WeakPolarHBondContact CA-O 3.4Å; Y95-A108 HydrophobicContact CD1-CB 3.62Å; Y95-A108 HydrophobicContact CE1-CB 3.57Å; Y95-A108 HydrophobicContact CG-CB 4.26Å
96	F	88.3	Confident	84.3	Confident	3 Å²	3	67.1 Å²	67.1	1%	0.013	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-18.3	170.7	-52.5	-53.7	0	0	0	112.1	V31 L39 F41 H51 C52 L65 T73 I94 I107 Y109	V31-F96 HydrophobicContact CB-CE1 4.43Å; V31-F96 HydrophobicContact CG1-CD1 4.13Å; V31-F96 HydrophobicContact CG1-CD2 4.12Å; V31-F96 HydrophobicContact CG1-CE1 4.06Å; V31-F96 HydrophobicContact CG1-CE2 4.06Å; V31-F96 HydrophobicContact CG1-CG 4.17Å; V31-F96 HydrophobicContact CG1-CZ 4.03Å; V31-F96 HydrophobicContact CG2-CE1 4.21Å; V31-F96 HydrophobicContact CG2-CZ 4.1Å; L39-F96 HydrophobicContact CD2-CE2 3.93Å; F41-F96 HydrophobicContact CE2-CD2 4Å; F41-F96 HydrophobicContact CZ-CD2 4.23Å; H51-F96 PolarHBondContact CE1-O 3.48Å; H51-F96 PolarHBondContact NE2-O 2.88Å; C52-F96 WeakPolarHBondContact SG-CE1 3.4Å; L65-F96 HydrophobicContact CD1-CE1 4.44Å; T73-F96 HydrophobicContact CG2-CD1 4.25Å; I94-F96 HydrophobicContact CB-CE1 4.48Å; I94-F96 HydrophobicContact CG2-CD1 3.93Å; I94-F96 HydrophobicContact CG2-CE1 3.43Å; I94-F96 VanDerWaalsContact CG2-CE1 3.43Å; I94-F96 HydrophobicContact CG2-CZ 3.91Å; F96-I107 HydrophobicContact CB-CG2 4.33Å; F96-I107 HydrophobicContact CD2-CG2 4.07Å; F96-I107 PolarHBondContact N-O 3.06Å; F96-Y109 AromaticContact CD2-CD2 3.78Å; F96-Y109 HydrophobicContact CD2-CD2 3.78Å; F96-Y109 HydrophobicContact CD2-CE2 4.11Å; F96-Y109 AromaticContact CE2-CD2 3.5Å; F96-Y109 HydrophobicContact CE2-CD2 3.5Å; F96-Y109 HydrophobicContact CE2-CE2 4.03Å; F96-Y109 HydrophobicContact CE2-CG 4.07Å
97	V	86.1	Confident	84.5	Confident	10 Å²	10	65 Å²	65	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.4	164.8	-176.4	0	0	0	0	107.5	L46 V47 Y95 R99 Q105 N106 I107	L46-V97 HydrophobicContact CB-CG1 4.03Å; L46-V97 HydrophobicContact CB-CG2 4.04Å; L46-V97 HydrophobicContact CD1-CG1 3.68Å; V47-V97 HydrophobicContact CG2-CG2 3.78Å; Y95-V97 VanDerWaalsContact C-N 3.29Å; V97-R99 HydrophobicContact CG1-CG 4.44Å; V97-Q105 WeakPolarHBondContact CG1-O 3.48Å; V97-N106 WeakPolarHBondContact O-CA 3.5Å; V97-N106 PolarHBondContact O-OD1 2.81Å; V97-I107 HydrophobicContact CB-CB 4.15Å; V97-I107 HydrophobicContact CB-CG1 4.25Å; V97-I107 HydrophobicContact CG2-CB 4.2Å; V97-I107 HydrophobicContact CG2-CD1 4.07Å; V97-I107 HydrophobicContact CG2-CG1 4.12Å; V97-I107 PolarHBondContact N-O 3.37Å; V97-I107 PolarHBondContact O-N 3.45Å
98	Y	84	Confident	84.6	Confident	93 Å²	93	63 Å²	63	37%	0.365	33%	0.326	S	S	.	.			trans	-131.9	120.2	178.4	-176.2	-104.6	0	0	0	111.1	V74 Y95 K100 N106	V74-Y98 HydrophobicContact CG2-CD1 4.26Å; V74-Y98 HydrophobicContact CG2-CG 4.3Å; Y95-Y98 AromaticContact CD1-CD2 3.85Å; Y95-Y98 HydrophobicContact CD1-CD2 3.85Å; Y95-Y98 HydrophobicContact CE1-CD2 4.23Å; Y95-Y98 HydrophobicContact CG-CD2 4.07Å; Y98-K100 HydrophobicContact CE1-CD 4.27Å; Y98-K100 HydrophobicContact CE1-CG 3.58Å; Y98-K100 VanDerWaalsContact OH-CE 3.29Å; Y98-K100 WeakPolarHBondContact OH-CE 3.37Å; Y98-N106 VanDerWaalsContact CA-OD1 3.3Å; Y98-N106 WeakPolarHBondContact CA-OD1 3.49Å
99	R	80.6	Confident	84.9	Confident	108 Å²	108	62.7 Å²	62.7	41%	0.408	33%	0.325	S	S	.	.			trans	-134.3	104	-175.1	-79.9	-80.7	-176.7	159.4	-0.7	109.7	V97 S101 D102 N106	V97-R99 HydrophobicContact CG1-CG 4.44Å; R99-S101 PolarHBondContact O-N 2.7Å; R99-D102 HydrophobicContact CB-CB 4.45Å; R99-D102 WeakPolarHBondContact CB-O 3.34Å; R99-D102 CarbonylContact O-C 3.55Å; R99-D102 PolarHBondContact O-N 2.81Å; R99-N106 PolarHBondContact N-OD1 2.75Å
100	K	76.4	Confident	85.1	Confident	182 Å²	182	57.8 Å²	57.8	79%	0.791	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.1	176	-69.7	-167.8	174.4	-170.8	0	114.2	Y98	Y98-K100 HydrophobicContact CE1-CD 4.27Å; Y98-K100 HydrophobicContact CE1-CG 3.58Å; Y98-K100 VanDerWaalsContact OH-CE 3.29Å; Y98-K100 WeakPolarHBondContact OH-CE 3.37Å
101	S	76	Confident	85.4	Confident	101 Å²	101	53 Å²	53	71%	0.706	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.4	-176.4	62.3	0	0	0	0	114.4	R99	R99-S101 PolarHBondContact O-N 2.7Å
102	D	78.1	Confident	85.6	Confident	52 Å²	52	53.4 Å²	53.4	28%	0.278	27%	0.269	S	S	.	.			trans	-159.9	86	-168.4	-175.1	-20.6	0	0	0	107.7	R99 D104 Q105	R99-D102 HydrophobicContact CB-CB 4.45Å; R99-D102 WeakPolarHBondContact CB-O 3.34Å; R99-D102 CarbonylContact O-C 3.55Å; R99-D102 PolarHBondContact O-N 2.81Å; D102-D104 VanDerWaalsContact C-N 3.27Å; D102-D104 PolarHBondContact O-N 3.22Å; D102-Q105 PolarHBondContact OD2-NE2 3.46Å
103	P	78.1	Confident	85.4	Confident	84 Å²	84	54.5 Å²	54.5	55%	0.545	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-71.5	-23.4	-171.8	29.3	-34.6	0	0	0	112.8	Q105 N106	P103-Q105 PolarHBondContact O-N 2.89Å; P103-N106 WeakPolarHBondContact CA-ND2 3.35Å; P103-N106 VanDerWaalsContact O-CB 3.22Å; P103-N106 WeakPolarHBondContact O-CB 3.26Å; P103-N106 VanDerWaalsContact O-CG 3.23Å; P103-N106 PolarHBondContact O-N 2.9Å; P103-N106 PolarHBondContact O-ND2 3.23Å
104	D	77.3	Confident	85.1	Confident	153 Å²	153	56 Å²	56	82%	0.818	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-71.3	-14.7	-176.1	-56.5	-16.4	0	0	0	112.3	D102	D102-D104 VanDerWaalsContact C-N 3.27Å; D102-D104 PolarHBondContact O-N 3.22Å
105	Q	81.6	Confident	84	Confident	87 Å²	87	61.4 Å²	61.4	41%	0.407	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-93.3	2.6	171.5	-65.7	-166.9	51.7	0	0	114.1	V97 D102 P103	V97-Q105 WeakPolarHBondContact CG1-O 3.48Å; D102-Q105 PolarHBondContact OD2-NE2 3.46Å; P103-Q105 PolarHBondContact O-N 2.89Å
106	N	86.6	Confident	82.3	Confident	32 Å²	32	66.4 Å²	66.4	17%	0.171	34%	0.34	C	S	.	.			trans	-66.8	152.8	175.2	-69.3	-34.7	0	0	0	111.3	V97 Y98 R99 P103	V97-N106 WeakPolarHBondContact O-CA 3.5Å; V97-N106 PolarHBondContact O-OD1 2.81Å; Y98-N106 VanDerWaalsContact CA-OD1 3.3Å; Y98-N106 WeakPolarHBondContact CA-OD1 3.49Å; R99-N106 PolarHBondContact N-OD1 2.75Å; P103-N106 WeakPolarHBondContact CA-ND2 3.35Å; P103-N106 VanDerWaalsContact O-CB 3.22Å; P103-N106 WeakPolarHBondContact O-CB 3.26Å; P103-N106 VanDerWaalsContact O-CG 3.23Å; P103-N106 PolarHBondContact O-N 2.9Å; P103-N106 PolarHBondContact O-ND2 3.23Å
107	I	88.8	Confident	80.1	Confident	21 Å²	21	75.2 Å²	75.2	11%	0.108	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	104.7	169.2	-65.7	-173.9	0	0	0	106.9	F41 N44 V47 Y95 F96 V97 Y109	F41-I107 HydrophobicContact CD1-CD1 4.19Å; F41-I107 HydrophobicContact CE1-CD1 4.38Å; F41-I107 HydrophobicContact CE1-CG2 4.07Å; F41-I107 HydrophobicContact CE2-CG2 4.45Å; F41-I107 HydrophobicContact CZ-CG2 3.88Å; N44-I107 VanDerWaalsContact ND2-CD1 3.33Å; N44-I107 WeakPolarHBondContact ND2-CD1 3.36Å; V47-I107 HydrophobicContact CG2-CD1 4.4Å; Y95-I107 CarbonylContact C-O 3.55Å; Y95-I107 VanDerWaalsContact CA-O 3.3Å; Y95-I107 WeakPolarHBondContact CA-O 3.4Å; F96-I107 HydrophobicContact CB-CG2 4.33Å; F96-I107 HydrophobicContact CD2-CG2 4.07Å; F96-I107 PolarHBondContact N-O 3.06Å; V97-I107 HydrophobicContact CB-CB 4.15Å; V97-I107 HydrophobicContact CB-CG1 4.25Å; V97-I107 HydrophobicContact CG2-CB 4.2Å; V97-I107 HydrophobicContact CG2-CD1 4.07Å; V97-I107 HydrophobicContact CG2-CG1 4.12Å; V97-I107 PolarHBondContact N-O 3.37Å; V97-I107 PolarHBondContact O-N 3.45Å; I107-Y109 HydrophobicContact CG2-CD2 4.13Å; I107-Y109 HydrophobicContact CG2-CE2 3.65Å
108	A	90.2	Very high	77.5	Confident	3 Å²	3	79.4 Å²	79.4	3%	0.025	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.5	-173.4	0	0	0	0	0	112.2	K15 V16 V93 I94 Y95	K15-A108 WeakPolarHBondContact CA-O 3.29Å; V16-A108 HydrophobicContact CB-CB 4.08Å; V16-A108 HydrophobicContact CG2-CB 3.68Å; V16-A108 PolarHBondContact N-O 2.9Å; V93-A108 HydrophobicContact CG1-CB 4.4Å; I94-A108 CarbonylContact O-C 3.56Å; I94-A108 WeakPolarHBondContact O-CA 3.46Å; Y95-A108 HydrophobicContact CD1-CB 3.62Å; Y95-A108 HydrophobicContact CE1-CB 3.57Å; Y95-A108 HydrophobicContact CG-CB 4.26Å
109	Y	92.9	Very high	74.8	Confident	3 Å²	3	80 Å²	80	1%	0.012	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.8	177	-74.6	-103	0	0	0	110.8	L13 V14 K15 V22 L39 F41 I94 F96 I107	L13-Y109 HydrophobicContact CB-CD1 3.79Å; L13-Y109 HydrophobicContact CB-CG 4.38Å; V14-Y109 CarbonylContact O-C 3.49Å; V14-Y109 WeakPolarHBondContact O-CA 3.48Å; K15-Y109 HydrophobicContact CB-CD1 3.85Å; K15-Y109 HydrophobicContact CB-CE1 3.58Å; K15-Y109 HydrophobicContact CB-CE2 4.47Å; K15-Y109 HydrophobicContact CB-CG 4.43Å; K15-Y109 HydrophobicContact CD-CE1 4.36Å; K15-Y109 HydrophobicContact CD-CE2 4.43Å; K15-Y109 HydrophobicContact CG-CE1 4.16Å; K15-Y109 HydrophobicContact CG-CE2 4.2Å; V22-Y109 HydrophobicContact CG2-CE1 4.34Å; L39-Y109 HydrophobicContact CD2-CE1 4.38Å; L39-Y109 HydrophobicContact CD2-CE2 4.41Å; F41-Y109 HydrophobicContact CE1-CE2 4.25Å; F41-Y109 AromaticContact CZ-CE2 3.68Å; F41-Y109 HydrophobicContact CZ-CE2 3.68Å; F41-Y109 AromaticContact CZ-CZ 3.98Å; I94-Y109 PolarHBondContact N-O 2.86Å; I94-Y109 PolarHBondContact O-N 3.21Å; F96-Y109 AromaticContact CD2-CD2 3.78Å; F96-Y109 HydrophobicContact CD2-CD2 3.78Å; F96-Y109 HydrophobicContact CD2-CE2 4.11Å; F96-Y109 AromaticContact CE2-CD2 3.5Å; F96-Y109 HydrophobicContact CE2-CD2 3.5Å; F96-Y109 HydrophobicContact CE2-CE2 4.03Å; F96-Y109 HydrophobicContact CE2-CG 4.07Å; I107-Y109 HydrophobicContact CG2-CD2 4.13Å; I107-Y109 HydrophobicContact CG2-CE2 3.65Å
110	V	90.8	Very high	72.4	Confident	32 Å²	32	81.1 Å²	81.1	19%	0.194	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116	173.8	-169.6	0	0	0	0	109.6	V14 V16 D92 V93 H112	V14-V110 PolarHBondContact N-O 3.42Å; V14-V110 PolarHBondContact O-N 3.33Å; V16-V110 HydrophobicContact CG2-CG2 3.91Å; D92-V110 CarbonylContact O-C 3.57Å; D92-V110 WeakPolarHBondContact O-CA 3.14Å; V93-V110 HydrophobicContact CG2-CG2 4.34Å; V110-H112 PolarHBondContact O-ND1 2.96Å; V110-H112 VanDerWaalsContact O-ND1 3.09Å
111	Y	92.3	Very high	70.4	Confident	3 Å²	3	78.4 Å²	78.4	1%	0.012	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.3	175.2	172.4	-109.2	0	0	0	111.6	W10 L13 L24 V63 L88 Q89 G91 D92	W10-Y111 HydrophobicContact CZ3-CE2 4.13Å; L13-Y111 HydrophobicContact CD2-CD2 3.98Å; L13-Y111 HydrophobicContact CD2-CG 4.4Å; L24-Y111 HydrophobicContact CD1-CD2 4.33Å; L24-Y111 HydrophobicContact CD1-CE2 4.08Å; V63-Y111 WeakPolarHBondContact CG2-OH 3.25Å; L88-Y111 HydrophobicContact CB-CD1 3.66Å; L88-Y111 HydrophobicContact CB-CE1 3.92Å; L88-Y111 HydrophobicContact CB-CG 4.35Å; L88-Y111 HydrophobicContact CD1-CD1 4.38Å; L88-Y111 HydrophobicContact CD1-CG 4.26Å; Q89-Y111 WeakPolarHBondContact O-CD1 3.36Å; G91-Y111 PolarHBondContact N-O 2.76Å; D92-Y111 PolarHBondContact O-N 2.94Å
112	H	88.4	Confident	68.2	Low	47 Å²	47	82.7 Å²	82.7	22%	0.218	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	171.6	-52.9	65.6	0	0	0	109.9	G11 K12 N90 V110	G11-H112 CarbonylContact C-O 3.56Å; G11-H112 VanDerWaalsContact CA-O 3.27Å; G11-H112 WeakPolarHBondContact CA-O 3.4Å; K12-H112 HydrophobicContact CD-CB 4.31Å; K12-H112 VanDerWaalsContact CE-CG 3.45Å; K12-H112 HydrophobicContact CG-CB 3.72Å; K12-H112 PolarHBondContact N-O 3.27Å; K12-H112 PolarHBondContact O-N 3.49Å; N90-H112 WeakPolarHBondContact OD1-CA 3.49Å; N90-H112 WeakPolarHBondContact OD1-CB 3.44Å; V110-H112 PolarHBondContact O-ND1 2.96Å; V110-H112 VanDerWaalsContact O-ND1 3.09Å
113	S	86.4	Confident	65.8	Low	37 Å²	37	86.8 Å²	86.8	26%	0.259	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.8	173.8	-175.4	0	0	0	0	110.7	N90	N90-S113 PolarHBondContact OD1-N 2.85Å
114	L	81.9	Confident	63.4	Low	68 Å²	68	88.3 Å²	88.3	36%	0.356	50%	0.504	S	S	.	.			trans	-116.5	56.5	175.6	-59.7	176.4	0	0	0	110.4	P9 W10 K12 L23	P9-L114 HydrophobicContact CB-CD1 4.17Å; P9-L114 HydrophobicContact CG-CD1 4.28Å; W10-L114 PolarHBondContact O-N 3.46Å; K12-L114 HydrophobicContact CB-CD1 4.35Å; K12-L114 HydrophobicContact CD-CD2 4.4Å; K12-L114 HydrophobicContact CG-CD2 4.4Å; L23-L114 HydrophobicContact CD2-CD1 4.34Å
115	N	68.9	Low	60.9	Low	114 Å²	114	86 Å²	86	61%	0.61	50%	0.499	S	S	*	.			trans	-83.1	120.5	169.9	-73	-11.1	0	0	0	109.6	E117	N115-E117 PolarHBondContact O-N 2.93Å
116	M	54.4	Low	58.3	Low	161 Å²	161	91.5 Å²	91.5	79%	0.793	52%	0.521	S	S	*	.			trans	-101.7	63.9	-179.5	-163.2	174.6	80.8	0	0	112
117	E	41.8	Very low	55.4	Low	189 Å²	189	101.5 Å²	101.5	88%	0.883	56%	0.557	S	S	*	*			trans	-132.1	101.3	158.4	-76.2	-156	162	0	0	110.6	N115	N115-E117 PolarHBondContact O-N 2.93Å
118	A	31.6	Very low	52.8	Low	98 Å²	98	106.8 Å²	106.8	81%	0.81	59%	0.592	S	S	*	*			trans	-145.2	57.6	161.6	0	0	0	0	0	107.3	V120	A118-V120 PolarHBondContact O-N 2.86Å
119	A	28.4	Very low	49.7	Very low	104 Å²	104	110.9 Å²	110.9	86%	0.86	63%	0.626	S	S	*	*			trans	-68.5	119.2	179.6	0	0	0	0	0	110
120	V	30.1	Very low	46.5	Very low	132 Å²	132	116.7 Å²	116.7	80%	0.8	67%	0.666	S	S	*	*			trans	-106.4	132.3	162.4	-178.2	0	0	0	0	106.4	A118	A118-V120 PolarHBondContact O-N 2.86Å
121	P	34.6	Very low	43.3	Very low	125 Å²	125	119.8 Å²	119.8	81%	0.812	69%	0.689	S	S	*	*			trans	-63.8	160.3	-172.1	-24.3	35.1	0	0	0	114.8
122	E	29.7	Very low	40.1	Very low	192 Å²	192	127.2 Å²	127.2	90%	0.897	73%	0.728	S	S	*	*			trans	-76	168.1	179.7	-64.2	-170.6	114.4	0	0	114.5
123	D	27.1	Very low	37.2	Very low	138 Å²	138	133.9 Å²	133.9	74%	0.738	76%	0.757	S	S	*	*			trans	77.1	106.1	151.6	-155.7	31.8	0	0	0	120.1
124	S	27.5	Very low	34.8	Very low	116 Å²	116	138 Å²	138	81%	0.811	78%	0.783	S	S	*	*				-164.7	144	107.2	32.4	0	0	0	0	113.4
125	C	25.9	Very low	32.2	Very low	103 Å²	103	140.9 Å²	140.9	70%	0.696	80%	0.803	S	S	*	*			trans	-53.7	137.5	-169.7	-41.8	0	0	0	0	116.8
126	K	25.9	Very low	30.1	Very low	203 Å²	203	143.6 Å²	143.6	88%	0.883	82%	0.816	S	S	*	*				179.7	145.6	104.6	-93.5	155.1	-169.1	173.8	0	115.3
127	R	26.3	Very low	28.7	Very low	242 Å²	242	140.3 Å²	140.3	91%	0.913	82%	0.815	S	S	*	*			trans	-106	162.1	157.7	-97.8	-177.7	-175.3	-177.7	3.1	107.3
128	P	34.8	Very low	28.1	Very low	132 Å²	132	137.1 Å²	137.1	86%	0.857	81%	0.814	S	S	*	*			cis	-135.9	-165.6	47.4	39.2	-18.9	0	0	0	115.5
129	A	25.2	Very low	27.9	Very low	90 Å²	90	141 Å²	141	74%	0.744	82%	0.815	S	S	*	*			trans	-102.6	-159.1	-168.1	0	0	0	0	0	113.7
130	C	24.2	Very low	27.7	Very low	125 Å²	125	144.8 Å²	144.8	85%	0.845	82%	0.817	S	S	*	*			trans	83.5	142.1	-170.8	-60.5	0	0	0	0	114.3
131	S	23.9	Very low	27.5	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	81%	0.811	S	S	*	*			cis	-171.2	143.8	-10.1	45.1	0	0	0	0	113.2
132	L	25.2	Very low	27	Very low	159 Å²	159	146.2 Å²	146.2	83%	0.832	82%	0.816	S	S	*	*			trans	73	155	151.3	-64.7	165.2	0	0	0	121.5
133	F	27.5	Very low	26.8	Very low	187 Å²	187	142 Å²	142	82%	0.82	81%	0.807	S	S	*	*			trans	-68.4	176.7	-175.5	-62.7	-81.7	0	0	0	114.4
134	P	35.3	Very low	26.8	Very low	124 Å²	124	142.6 Å²	142.6	81%	0.805	82%	0.815	S	S	*	*			cis	-146	-163.8	24.4	45.1	-22.9	0	0	0	118.8
135	V	27.9	Very low	26.8	Very low	127 Å²	127	145.2 Å²	145.2	77%	0.77	82%	0.815	S	S	*	*			trans	-80.2	140.1	-169.5	177.8	0	0	0	0	114.3
136	L	24.9	Very low	27	Very low	171 Å²	171	146.2 Å²	146.2	90%	0.895	82%	0.82	S	S	*	*				-172.9	168.4	118.4	-154.6	53.1	0	0	0	111.9
137	A	25.5	Very low	27	Very low	93 Å²	93	143.2 Å²	143.2	77%	0.769	82%	0.818	S	S	*	*			trans	-100.2	163.9	-171.1	0	0	0	0	0	114.8
138	S	27.8	Very low	27	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	82%	0.817	S	S	*	*			trans	-156.3	169	142.9	-159.9	0	0	0	0	110.8
139	E	27.7	Very low	26.5	Very low	178 Å²	178	141.5 Å²	141.5	83%	0.832	82%	0.816	S	S	*	*			trans	-94	157.4	-171	-51.1	177.9	140.4	0	0	113.4
140	M	25.7	Very low	26.5	Very low	185 Å²	185	143.2 Å²	143.2	91%	0.911	82%	0.817	S	S	*	*				-167.1	148.8	120.8	-106.3	-174.2	-176.5	0	0	111.2
141	A	25.4	Very low	26.6	Very low	82 Å²	82	148.8 Å²	148.8	68%	0.678	82%	0.82	S	S	*	*			trans	-119.7	161.7	176.4	0	0	0	0	0	110.6
142	F	23.7	Very low	26.7	Very low	205 Å²	205	148.6 Å²	148.6	90%	0.899	82%	0.824	S	S	*	*			trans	-145	145.4	155.3	-97.7	-71.5	0	0	0	111.3
143	S	25.6	Very low	26.9	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	82%	0.82	S	S	*	*			trans	-108.1	163.7	-167.9	-48.5	0	0	0	0	112.7
144	V	26.9	Very low	26.9	Very low	150 Å²	150	145.8 Å²	145.8	91%	0.909	82%	0.824	S	S	*	*			trans	-134.5	143.8	150.1	-175.2	0	0	0	0	108.2
145	E	26.9	Very low	26.3	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	82%	0.817	S	S	*	*			trans	-94	163.2	-165.7	-74.7	-174.7	120	0	0	115.4
146	P	30.7	Very low	26.5	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	81%	0.814	S	S	*	*			trans	-80.9	154.5	174.5	34.2	-36.5	0	0	0	113.4
147	V	25	Very low	26.4	Very low	141 Å²	141	142 Å²	142	86%	0.855	80%	0.803	S	S	*	*			trans	-107.7	131.7	177.8	179.3	0	0	0	0	111.6
148	M	26.1	Very low	26.4	Very low	177 Å²	177	145.3 Å²	145.3	87%	0.872	81%	0.807	S	S	*	*			trans	-118.3	148.8	169.5	-74.3	-83.5	-173.6	0	0	109.3
149	L	24.4	Very low	26.1	Very low	161 Å²	161	148.3 Å²	148.3	84%	0.843	81%	0.808	S	S	*	*			trans	164.8	147.4	163.8	-90.5	-171.9	0	0	0	107
150	T	25.3	Very low	26	Very low	125 Å²	125	148.2 Å²	148.2	77%	0.767	81%	0.808	S	S	*	*			cis	-162.1	179.4	-26.1	3.2	0	0	0	0	109.9
151	R	26.2	Very low	26.1	Very low	243 Å²	243	144.9 Å²	144.9	92%	0.917	80%	0.8	S	S	*	*			trans	-72.8	173.5	167.3	-61.6	179.7	176.7	166.8	-1.7	111.3
152	A	26.6	Very low	26.3	Very low	92 Å²	92	148 Å²	148	76%	0.76	80%	0.8	S	S	*	*			cis	-141.3	-134.9	13.4	0	0	0	0	0	110
153	P	29.3	Very low	26.5	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	80%	0.797	S	S	*	*			cis	-133.8	172.4	2.7	44.4	-26.4	0	0	0	117.8
154	L	26.9	Very low	26.5	Very low	173 Å²	173	143.6 Å²	143.6	91%	0.906	79%	0.792	S	S	*	*			trans	27.9	139	147	-68.2	163.7	0	0	0	124.7
155	D	23.7	Very low	26.3	Very low	124 Å²	124	142.9 Å²	142.9	66%	0.663	79%	0.788	S	S	*	*			trans	-79.1	161.5	162.1	179.8	51.7	0	0	0	112.2	T157	D155-T157 VanDerWaalsContact CG-N 3.32Å; D155-T157 PolarHBondContact OD1-N 3.25Å; D155-T157 PolarHBondContact OD2-N 2.9Å
156	P	31.7	Very low	26.2	Very low	109 Å²	109	140 Å²	140	71%	0.708	79%	0.787	S	S	*	*				-145.3	115.4	116.4	35.3	-18.6	0	0	0	116.4
157	T	22.5	Very low	26	Very low	109 Å²	109	139.1 Å²	139.1	67%	0.669	78%	0.78	S	S	*	*				37	116.6	129.9	62.3	0	0	0	0	120.3	D155	D155-T157 VanDerWaalsContact CG-N 3.32Å; D155-T157 PolarHBondContact OD1-N 3.25Å; D155-T157 PolarHBondContact OD2-N 2.9Å
158	L	25.8	Very low	26.1	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	77%	0.774	S	S	*	*			trans	-157.7	100.8	138.2	-120.4	161.1	0	0	0	113.2
159	E	22.6	Very low	26.3	Very low	186 Å²	186	135.3 Å²	135.3	87%	0.869	76%	0.761	S	S	*	*			trans	49.4	142	156.2	-65.3	-172.7	135.9	0	0	124.3
160	E	24	Very low	26.3	Very low	175 Å²	175	137.1 Å²	137.1	82%	0.818	76%	0.763	S	S	*	*			trans	-75.5	176.9	168.9	-105.1	-164.8	128.9	0	0	111.9
161	P	28.5	Very low	26.3	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	75%	0.754	S	S	*	*			cis	-142.9	178.7	28.5	42.6	-22.9	0	0	0	118.1
162	Q	30.4	Very low	26.4	Very low	148 Å²	148	130.8 Å²	130.8	69%	0.692	75%	0.747	S	S	*	*			trans	-64.4	166.2	155.2	-64.2	-163.9	-12.3	0	0	111.7
163	P	27.8	Very low	26.2	Very low	127 Å²	127	135 Å²	135	83%	0.825	75%	0.748	S	S	*	*				-137.1	161.3	104.5	37.9	-29.5	0	0	0	114.7
164	S	24.6	Very low	26.2	Very low	88 Å²	88	138 Å²	138	62%	0.615	75%	0.749	S	S	*	*			trans	-97.7	169.8	165.1	-72.5	0	0	0	0	111.8
165	T	23.8	Very low	26.5	Very low	136 Å²	136	136 Å²	136	83%	0.834	75%	0.747	S	S	*	*			trans	98	131.2	160.1	74.7	0	0	0	0	120
166	S	25.3	Very low	26.7	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	76%	0.756	S	S	*	*			trans	61.4	148.4	148.5	-101.8	0	0	0	0	120.4
167	T	25.2	Very low	26.5	Very low	106 Å²	106	137.6 Å²	137.6	65%	0.65	76%	0.757	S	S	*	*			cis	-154	153	-10.1	-11.9	0	0	0	0	106.7
168	S	27.3	Very low	26.6	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	77%	0.767	S	S	*	*				-171.7	139.8	82.8	58	0	0	0	0	114.3
169	H	30.2	Very low	26.7	Very low	133 Å²	133	138.6 Å²	138.6	62%	0.616	76%	0.761	S	S	*	*			trans	4.5	150	130.1	-56.7	-80.2	0	0	0	119.1
170	F	23.8	Very low	27.6	Very low	199 Å²	199	134.8 Å²	134.8	87%	0.873	75%	0.753	S	S	*	*			cis	-120.2	150.7	26.1	-79.9	-114.8	0	0	0	112.1
171	C	26.7	Very low	27.8	Very low	87 Å²	87	132.8 Å²	132.8	59%	0.588	75%	0.752	S	S	*	*				67.2	135.4	50.7	-57.7	0	0	0	0	112.4
172	I	26.6	Very low	27.8	Very low	148 Å²	148	131.8 Å²	131.8	76%	0.759	75%	0.748	S	S	*	*			cis	-154.6	166.2	8.3	-141.3	174.1	0	0	0	106.6
173	K	23.3	Very low	27.5	Very low	180 Å²	180	129.8 Å²	129.8	78%	0.783	75%	0.75	S	S	*	*			cis	-162.2	-179	36.9	-130.3	167.3	-169.4	171.6	0	111
174	K	29.5	Very low	27.4	Very low	177 Å²	177	128 Å²	128	77%	0.77	75%	0.746	S	S	*	*			trans	-127.7	-172.8	150.7	-76.2	-174.3	173.8	177.9	0	108.2
175	P	33.4	Very low	27.5	Very low	133 Å²	133	129.1 Å²	129.1	86%	0.864	75%	0.754	S	S	*	*				-139.9	173.8	88.3	35.6	-19.9	0	0	0	115
176	L	28.6	Very low	27.6	Very low	162 Å²	162	128.4 Å²	128.4	85%	0.848	76%	0.755	S	S	*	*			trans	-139.4	144.4	174.1	176.2	72.6	0	0	0	108.8
177	S	26.4	Very low	27.7	Very low	103 Å²	103	128 Å²	128	72%	0.72	76%	0.757	S	S	*	*			trans	-162.2	149	168	55.2	0	0	0	0	110.4
178	K	25.8	Very low	27.7	Very low	206 Å²	206	131.4 Å²	131.4	90%	0.896	77%	0.771	S	S	*	*			cis	-161.5	150.4	-14.8	-112.2	-179.3	-179	-178.8	0	106.5
179	A	27.5	Very low	27.6	Very low	87 Å²	87	129.5 Å²	129.5	72%	0.719	77%	0.768	S	S	*	*			trans	-89.6	-176.2	161.8	0	0	0	0	0	108.7
180	P	41	Very low	27.6	Very low	107 Å²	107	132.4 Å²	132.4	70%	0.695	78%	0.782	S	S	*	*			cis	-149.3	-164.2	23.1	37.9	-12	0	0	0	117.1
181	V	29.1	Very low	27.8	Very low	132 Å²	132	128.9 Å²	128.9	80%	0.8	78%	0.776	S	S	*	*			trans	60.4	151.9	156.8	-67.5	0	0	0	0	120.8
182	S	26.9	Very low	27.8	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	79%	0.79	S	S	*	*			cis	-169.2	155.4	-20.8	52.1	0	0	0	0	113.3
183	S	25.3	Very low	27.7	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	79%	0.794	S	S	*	*			trans	62.1	140.8	142.2	61.7	0	0	0	0	123.7
184	A	25.4	Very low	27.9	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	80%	0.797	S	S	*	*			trans	71.9	152.6	155.6	0	0	0	0	0	118.7
185	S	25.5	Very low	27.7	Very low	111 Å²	111	126.1 Å²	126.1	78%	0.776	80%	0.797	S	S	*	*			cis	-164.1	155	-23.1	-95.4	0	0	0	0	111.4
186	S	26.6	Very low	27.2	Very low	121 Å²	121	125.6 Å²	125.6	85%	0.846	80%	0.796	S	S	*	*			trans	8.7	134.1	157.4	-48.1	0	0	0	0	122.7
187	A	27.1	Very low	27.2	Very low	100 Å²	100	122.2 Å²	122.2	83%	0.826	79%	0.792	S	S	*	*				-168.9	161.1	127.4	0	0	0	0	0	114.2
188	L	25.5	Very low	27.2	Very low	179 Å²	179	123.3 Å²	123.3	94%	0.937	79%	0.794	S	S	*	*			trans	-79.1	169.3	173.4	-71.9	66.6	0	0	0	110.8
189	G	24.8	Very low	27.2	Very low	64 Å²	64	121.7 Å²	121.7	66%	0.66	79%	0.79	S	S	*	*			cis	154.7	-170.1	-0.5	0	0	0	0	0	111.6
190	Q	30.3	Very low	27.1	Very low	193 Å²	193	124.9 Å²	124.9	90%	0.902	79%	0.79	S	S	*	*			trans	70.5	126.5	-179.8	-55.7	-177.7	0.8	0	0	115
191	V	28.6	Very low	26.4	Very low	126 Å²	126	127 Å²	127	76%	0.764	79%	0.79	S	S	*	*			cis	90.5	117	39.5	172.9	0	0	0	0	113.7
192	K	27	Very low	26.3	Very low	203 Å²	203	126 Å²	126	88%	0.883	79%	0.788	S	S	*	*			trans	-166	161	141.1	-112.9	173.4	-175.1	-179.1	0	113.3
193	D	25.3	Very low	26.1	Very low	155 Å²	155	124.7 Å²	124.7	83%	0.829	79%	0.79	S	S	*	*			trans	-101.9	173.7	-161.2	-38.9	-99.1	0	0	0	114
194	G	25.6	Very low	26.1	Very low	83 Å²	83	126.8 Å²	126.8	86%	0.856	79%	0.793	S	S	*	*			trans	169.1	98.2	168.8	0	0	0	0	0	115.4
195	A	26	Very low	26.2	Very low	92 Å²	92	133.7 Å²	133.7	76%	0.76	80%	0.8	S	S	*	*			trans	-91.9	156.8	-169.1	0	0	0	0	0	116.7
196	S	23.8	Very low	26.5	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	80%	0.803	S	S	*	*			trans	64.9	153.9	152.3	-54.3	0	0	0	0	118.6
197	A	26.9	Very low	26.7	Very low	91 Å²	91	136.8 Å²	136.8	75%	0.752	80%	0.799	S	S	*	*			cis	-156.3	162.5	22.8	0	0	0	0	0	115.2
198	V	26.8	Very low	26.7	Very low	126 Å²	126	140.6 Å²	140.6	76%	0.764	80%	0.8	S	S	*	*			trans	2.5	132.3	152.1	-164.4	0	0	0	0	120.8
199	E	25.9	Very low	26.7	Very low	173 Å²	173	135.8 Å²	135.8	81%	0.808	78%	0.78	S	S	*	*				-179.8	169.1	120.8	-98.6	-54.6	141.5	0	0	113.3
200	E	25.1	Very low	26.8	Very low	154 Å²	154	141 Å²	141	72%	0.72	78%	0.784	S	S	*	*			trans	-90.3	167.5	-167	-68.9	-158.5	164.3	0	0	118.1
201	H	27.6	Very low	26.6	Very low	152 Å²	152	140.9 Å²	140.9	70%	0.704	78%	0.776	S	S	*	*				117.2	109.6	119.1	-134.4	80.4	0	0	0	119.8
202	S	25.3	Very low	26.6	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	78%	0.775	S	S	*	*			trans	50.5	167.5	147	91.5	0	0	0	0	122.9
203	G	23.1	Very low	26.6	Very low	69 Å²	69	145.2 Å²	145.2	71%	0.711	77%	0.773	S	S	*	*			trans	113.9	63.7	139.2	0	0	0	0	0	119.3	R205	G203-R205 PolarHBondContact O-N 3.15Å
204	N	26.7	Very low	26.6	Very low	148 Å²	148	142.4 Å²	142.4	79%	0.791	76%	0.762	S	S	*	*			trans	-36.3	130.3	157.2	168.5	30	0	0	0	114.2
205	R	25.7	Very low	26.7	Very low	236 Å²	236	144.8 Å²	144.8	89%	0.891	76%	0.755	S	S	*	*			trans	-163.9	129.5	148.4	-111.7	160.9	-162.7	-164.3	2.8	115.1	G203	G203-R205 PolarHBondContact O-N 3.15Å
206	E	33	Very low	26.8	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	76%	0.758	S	S	*	*			trans	-73.9	161.1	153.5	-59.1	173.6	110.6	0	0	110.9
207	P	31.5	Very low	27	Very low	118 Å²	118	149 Å²	149	77%	0.766	76%	0.755	S	S	*	*			trans	-118.3	119.7	153.7	33.5	-21.7	0	0	0	113
208	E	26.9	Very low	27	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	75%	0.75	S	S	*	*				13.5	153.7	121	-78	-149.9	95.4	0	0	120.4
209	C	24.4	Very low	27.1	Very low	77 Å²	77	150.4 Å²	150.4	52%	0.52	75%	0.754	S	S	.	*			cis	172	149.6	-5.2	165.9	0	0	0	0	107.5
210	K	26.6	Very low	27.2	Very low	173 Å²	173	145.5 Å²	145.5	75%	0.752	75%	0.75	S	S	*	*			trans	175.9	121.7	139.7	-91.7	141.2	-153.9	162.8	0	111.1
211	R	27	Very low	27.3	Very low	191 Å²	191	144 Å²	144	72%	0.721	76%	0.757	S	S	*	*				64.7	138.2	98.9	-62.2	-177.3	-170.4	176.8	-1	114.3
212	R	28.1	Very low	27.4	Very low	199 Å²	199	141 Å²	141	75%	0.751	76%	0.758	S	S	*	*			cis	-174.5	150	-1.1	-111.6	175.5	-178.4	-176.9	-1.4	107.8
213	R	26.3	Very low	27.5	Very low	222 Å²	222	146.2 Å²	146.2	84%	0.838	77%	0.767	S	S	*	*			trans	48.1	150.4	139.4	-69.4	-162.5	175.2	-172.8	-2.6	120.3
214	T	27.1	Very low	27.7	Very low	96 Å²	96	147 Å²	147	59%	0.589	78%	0.775	S	S	*	*			cis	-165.9	152.9	4	13.8	0	0	0	0	109.8
215	D	27.3	Very low	27.8	Very low	133 Å²	133	147.5 Å²	147.5	71%	0.711	78%	0.778	S	S	*	*			trans	52.3	130	136.9	-43	-15.8	0	0	0	123.8
216	D	27.9	Very low	28	Very low	155 Å²	155	141.8 Å²	141.8	83%	0.829	77%	0.769	S	S	*	*			trans	73.6	106.8	131.1	-60.8	-5.7	0	0	0	126
217	D	27.6	Very low	28.4	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	77%	0.771	S	S	*	*				99.1	144.9	114.9	-151.4	34.6	0	0	0	124.2
218	V	28.1	Very low	28.5	Very low	108 Å²	108	141.3 Å²	141.3	66%	0.655	77%	0.774	S	S	*	*			trans	34.5	124.9	156.6	152.2	0	0	0	0	119.6
219	T	28.9	Very low	29.1	Very low	137 Å²	137	141.9 Å²	141.9	84%	0.84	77%	0.774	S	S	*	*				-163.5	157.7	68.9	-41.2	0	0	0	0	111.5
220	G	26.1	Very low	29.6	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	79%	0.791	S	S	*	*			trans	-109.6	-178.1	-169.7	0	0	0	0	0	119.3
221	S	27.7	Very low	30.1	Very low	123 Å²	123	143.3 Å²	143.3	86%	0.86	79%	0.79	S	S	*	*			trans	79.1	112.1	157.7	-157.9	0	0	0	0	120.2
222	A	29.7	Very low	30.7	Very low	89 Å²	89	141 Å²	141	74%	0.736	80%	0.796	S	S	*	*				-177.3	127.4	97.8	0	0	0	0	0	114.8
223	K	27.6	Very low	31.1	Very low	218 Å²	218	140.2 Å²	140.2	95%	0.948	80%	0.798	S	S	*	*			trans	31.7	117.6	150.2	-63	-179.3	177.1	-179.4	0	121.1
224	G	27.3	Very low	32	Very low	86 Å²	86	138.8 Å²	138.8	89%	0.887	80%	0.801	S	S	*	*			trans	-167.4	133.8	155.1	0	0	0	0	0	109.8
225	D	28.5	Very low	32.8	Very low	159 Å²	159	139.9 Å²	139.9	85%	0.85	81%	0.808	S	S	*	*			trans	-115.5	167.5	-169.5	-167.3	15.1	0	0	0	112.6
226	V	30.3	Very low	33.8	Very low	116 Å²	116	143.3 Å²	143.3	70%	0.703	82%	0.817	S	S	*	*			trans	79.5	90.1	168.7	-167.6	0	0	0	0	117.5
227	L	42.5	Very low	35	Very low	167 Å²	167	141.2 Å²	141.2	87%	0.874	81%	0.81	S	S	*	*			trans	57.5	100.6	130.1	-165.9	73	0	0	0	119.8
228	S	33.3	Very low	37.4	Very low	120 Å²	120	136.5 Å²	136.5	84%	0.839	79%	0.785	S	S	*	*			trans	-143	155.7	146.7	64.2	0	0	0	0	112
229	K	39.8	Very low	39.7	Very low	193 Å²	193	139.6 Å²	139.6	84%	0.839	79%	0.789	S	S	*	*			trans	-76.4	160.8	-173.2	-75.3	177.2	172.2	176.8	0	113.1
230	L	34.4	Very low	42.2	Very low	169 Å²	169	137.1 Å²	137.1	89%	0.885	77%	0.769	S	S	*	*			trans	122.1	158	152	-69.2	166.4	0	0	0	113.4
231	P	36.8	Very low	45.2	Very low	110 Å²	110	136.1 Å²	136.1	71%	0.714	75%	0.746	S	S	*	*			cis	-118.8	167.8	-20.8	36.8	-24	0	0	0	112.4	K233	P231-K233 PolarHBondContact O-N 3.07Å
232	V	39	Very low	47.9	Very low	142 Å²	142	136.7 Å²	136.7	86%	0.861	74%	0.735	S	S	*	*			trans	-70.6	122.3	163.7	177.4	0	0	0	0	108.1
233	K	36.8	Very low	50.7	Low	183 Å²	183	137.1 Å²	137.1	80%	0.796	73%	0.732	S	S	*	*			trans	-92.1	113.8	177.3	-163	179.7	-171	-178.8	0	107.8	P231 T235	P231-K233 PolarHBondContact O-N 3.07Å; K233-T235 PolarHBondContact O-N 3.43Å
234	E	45.4	Very low	53.8	Low	192 Å²	192	127.1 Å²	127.1	90%	0.897	69%	0.689	S	S	*	*			trans	-65.4	95.9	177.4	-69	-175.5	148.6	0	0	110.3	K236	E234-K236 PolarHBondContact O-N 3.41Å
235	T	43	Very low	56.9	Low	120 Å²	120	125.5 Å²	125.5	74%	0.736	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.7	167.2	37.7	0	0	0	0	108.7	K233 T237	K233-T235 PolarHBondContact O-N 3.43Å; T235-T237 PolarHBondContact O-N 3.29Å
236	K	49.4	Very low	60.1	Low	204 Å²	204	117.9 Å²	117.9	89%	0.887	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-54.4	126	162.8	-66.6	175.9	178.8	177.1	0	107	E234 D238	E234-K236 PolarHBondContact O-N 3.41Å; K236-D238 PolarHBondContact O-N 2.85Å
237	T	53.3	Low	63.1	Low	111 Å²	111	116.8 Å²	116.8	68%	0.681	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-57.1	136.1	179.3	42.7	0	0	0	0	110	T235	T235-T237 PolarHBondContact O-N 3.29Å
238	D	76.7	Confident	65.5	Low	50 Å²	50	111.7 Å²	111.7	27%	0.267	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-78.8	131.4	177.5	-173.8	-12.9	0	0	0	109	K236 M240 E241 E242 Y304	K236-D238 PolarHBondContact O-N 2.85Å; D238-M240 PolarHBondContact O-N 3.18Å; D238-M240 WeakPolarHBondContact OD1-CB 3.45Å; D238-M240 PolarHBondContact OD1-N 2.89Å; D238-E241 HydrophobicContact CB-CB 3.81Å; D238-E241 PolarHBondContact N-OE2 3.35Å; D238-E241 WeakPolarHBondContact O-CB 3.15Å; D238-E241 PolarHBondContact O-N 3.17Å; D238-E242 PolarHBondContact O-N 2.94Å; D238-Y304 WeakPolarHBondContact CB-OH 3.46Å; D238-Y304 WeakPolarHBondContact OD2-CE2 3.44Å; D238-Y304 PolarHBondContact OD2-OH 2.75Å
239	K	77.4	Confident	68.3	Low	173 Å²	173	108.4 Å²	108.4	75%	0.752	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-24.8	178.8	-64.5	-176.7	177.1	-176.5	0	111.7	S243	K239-S243 WeakPolarHBondContact O-CB 3.43Å; K239-S243 PolarHBondContact O-N 2.91Å; K239-S243 PolarHBondContact O-OG 2.88Å
240	M	81.9	Confident	70.8	Confident	85 Å²	85	107.2 Å²	107.2	42%	0.419	56%	0.561	S	S	.	*	H	α-helix	trans	-74.3	-42.8	173.3	-169.2	140.7	62	0	0	111	D238 S243 L244 Y304	D238-M240 PolarHBondContact O-N 3.18Å; D238-M240 WeakPolarHBondContact OD1-CB 3.45Å; D238-M240 PolarHBondContact OD1-N 2.89Å; M240-S243 PolarHBondContact O-N 3.04Å; M240-L244 HydrophobicContact CG-CD1 3.96Å; M240-L244 WeakPolarHBondContact O-CB 3.46Å; M240-L244 VanDerWaalsContact O-CG 3.28Å; M240-L244 WeakPolarHBondContact O-CG 3.38Å; M240-L244 PolarHBondContact O-N 3.4Å; M240-Y304 HydrophobicContact CB-CE2 4.29Å; M240-Y304 HydrophobicContact CE-CD2 3.93Å; M240-Y304 HydrophobicContact CE-CE2 4.19Å; M240-Y304 HydrophobicContact CG-CD2 4.13Å; M240-Y304 HydrophobicContact CG-CE2 4.37Å
241	E	87.3	Confident	73.5	Confident	49 Å²	49	102 Å²	102	23%	0.229	53%	0.534	C	S	.	.	H	α-helix	trans	-57.6	-53	173.1	171.1	175.3	-126.5	0	0	111.9	D238 S243 L244 T245 L252 Y304 K311	D238-E241 HydrophobicContact CB-CB 3.81Å; D238-E241 PolarHBondContact N-OE2 3.35Å; D238-E241 WeakPolarHBondContact O-CB 3.15Å; D238-E241 PolarHBondContact O-N 3.17Å; E241-S243 PolarHBondContact O-N 2.98Å; E241-L244 CarbonylContact O-C 3.28Å; E241-L244 WeakPolarHBondContact O-CA 3.47Å; E241-L244 PolarHBondContact O-N 3.1Å; E241-T245 WeakPolarHBondContact O-CG2 3.3Å; E241-T245 PolarHBondContact O-N 3.4Å; E241-L252 HydrophobicContact CG-CD2 4.42Å; E241-Y304 HydrophobicContact CB-CE1 4.09Å; E241-K311 WeakPolarHBondContact OE1-CD 3.4Å; E241-K311 WeakPolarHBondContact OE1-CE 3.34Å; E241-K311 IonicContact OE1-NZ 2.86Å; E241-K311 PolarHBondContact OE1-NZ 3.41Å; E241-K311 IonicContact OE2-NZ 2.78Å; E241-K311 PolarHBondContact OE2-NZ 3.14Å
242	E	85.6	Confident	76.2	Confident	135 Å²	135	97.1 Å²	97.1	63%	0.631	50%	0.502	S	S	*	.	H	α-helix	trans	-54.1	-43.1	178.3	-174.3	175.3	-164.8	0	0	111.3	D238 L244 T245	D238-E242 PolarHBondContact O-N 2.94Å; E242-L244 VanDerWaalsContact C-N 3.27Å; E242-L244 PolarHBondContact O-N 3.06Å; E242-T245 PolarHBondContact O-N 3.04Å; E242-T245 PolarHBondContact O-OG1 3.28Å
243	S	87.9	Confident	78.9	Confident	97 Å²	97	90.8 Å²	90.8	68%	0.678	46%	0.463	S	S	*	.	H	α-helix	trans	-69	-19.2	177.8	-56.5	0	0	0	0	114.6	K239 M240 E241	K239-S243 WeakPolarHBondContact O-CB 3.43Å; K239-S243 PolarHBondContact O-N 2.91Å; K239-S243 PolarHBondContact O-OG 2.88Å; M240-S243 PolarHBondContact O-N 3.04Å; E241-S243 PolarHBondContact O-N 2.98Å
244	L	92.6	Very high	81.6	Confident	9 Å²	9	84.2 Å²	84.2	5%	0.047	44%	0.436	C	S	.	.	H	α-helix	trans	-106.4	4.5	179.8	-66.6	176.2	0	0	0	113.1	M240 E241 E242 L252 L253 L297 L300 V301 Y304	M240-L244 HydrophobicContact CG-CD1 3.96Å; M240-L244 WeakPolarHBondContact O-CB 3.46Å; M240-L244 VanDerWaalsContact O-CG 3.28Å; M240-L244 WeakPolarHBondContact O-CG 3.38Å; M240-L244 PolarHBondContact O-N 3.4Å; E241-L244 CarbonylContact O-C 3.28Å; E241-L244 WeakPolarHBondContact O-CA 3.47Å; E241-L244 PolarHBondContact O-N 3.1Å; E242-L244 VanDerWaalsContact C-N 3.27Å; E242-L244 PolarHBondContact O-N 3.06Å; L244-L252 HydrophobicContact CB-CD2 3.92Å; L244-L252 CarbonylContact O-C 3.54Å; L244-L252 WeakPolarHBondContact O-CA 3.14Å; L244-L253 WeakPolarHBondContact O-CD1 3.47Å; L244-L253 VanDerWaalsContact O-CG 3.29Å; L244-L253 WeakPolarHBondContact O-CG 3.28Å; L244-L253 PolarHBondContact O-N 2.98Å; L244-L297 HydrophobicContact CD2-CD2 4.05Å; L244-L300 HydrophobicContact CD2-CB 4.36Å; L244-V301 HydrophobicContact CB-CG2 4.17Å; L244-V301 HydrophobicContact CD1-CG2 4.18Å; L244-V301 HydrophobicContact CD2-CG2 4.11Å; L244-V301 HydrophobicContact CG-CG2 4.38Å; L244-Y304 HydrophobicContact CD1-CG 4.37Å
245	T	93.5	Very high	83.8	Confident	51 Å²	51	76.1 Å²	76.1	31%	0.313	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.1	175.3	56.4	0	0	0	0	113.2	E241 E242	E241-T245 WeakPolarHBondContact O-CG2 3.3Å; E241-T245 PolarHBondContact O-N 3.4Å; E242-T245 PolarHBondContact O-N 3.04Å; E242-T245 PolarHBondContact O-OG1 3.28Å
246	C	94.7	Very high	86.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.6	170.3	-175.2	0	0	0	0	111.1	I248 C249 Q250 D251 L253 C267	C246-I248 PolarHBondContact O-N 3.44Å; C246-C249 PolarHBondContact O-N 2.63Å; C246-Q250 WeakPolarHBondContact O-CA 3.41Å; C246-Q250 PolarHBondContact O-N 2.84Å; C246-D251 PolarHBondContact N-O 2.65Å; C246-L253 HydrophobicContact CB-CD2 3.63Å; C246-L253 HydrophobicContact CB-CG 4.21Å; C246-C267 WeakPolarHBondContact CB-SG 3.34Å; C246-C267 PolarHBondContact SG-N 3.06Å
247	V	92.9	Very high	88.3	Confident	93 Å²	93	60.8 Å²	60.8	56%	0.564	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-3.5	-179.8	-56.6	0	0	0	0	115.7	F266	V247-F266 HydrophobicContact CG2-CD1 4.1Å; V247-F266 HydrophobicContact CG2-CE1 3.57Å
248	I	92.9	Very high	90.3	Very high	60 Å²	60	56 Å²	56	31%	0.308	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-52.2	174.8	-61.1	171.1	0	0	0	111	C246 F266 C270 P282	C246-I248 PolarHBondContact O-N 3.44Å; I248-F266 HydrophobicContact CD1-CB 4.32Å; I248-F266 HydrophobicContact CD1-CD1 3.47Å; I248-F266 VanDerWaalsContact CD1-CD1 3.47Å; I248-F266 HydrophobicContact CD1-CE1 4.12Å; I248-F266 HydrophobicContact CD1-CG 4.12Å; I248-F266 HydrophobicContact CG1-CD1 3.8Å; I248-F266 HydrophobicContact CG1-CE1 4.23Å; I248-C270 HydrophobicContact CB-CB 3.9Å; I248-C270 HydrophobicContact CD1-CB 3.81Å; I248-C270 HydrophobicContact CG1-CB 4.46Å; I248-C270 HydrophobicContact CG2-CB 3.82Å; I248-P282 HydrophobicContact CD1-CB 4.47Å; I248-P282 HydrophobicContact CD1-CG 4.05Å
249	C	92.7	Very high	91.1	Very high	50 Å²	50	53.7 Å²	53.7	34%	0.338	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.7	-179.2	57.6	0	0	0	0	114.5	C246 D251	C246-C249 PolarHBondContact O-N 2.63Å; C249-D251 VanDerWaalsContact C-N 3.33Å
250	Q	91.7	Very high	91.3	Very high	168 Å²	168	47.3 Å²	47.3	79%	0.785	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	39.9	179.2	-64.5	163.6	72.7	0	0	113.3	C246	C246-Q250 WeakPolarHBondContact O-CA 3.41Å; C246-Q250 PolarHBondContact O-N 2.84Å
251	D	92.4	Very high	91.4	Very high	60 Å²	60	45.8 Å²	45.8	32%	0.321	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.7	-168.1	176.1	17.5	0	0	0	108.3	C246 C249 R313	C246-D251 PolarHBondContact N-O 2.65Å; C249-D251 VanDerWaalsContact C-N 3.33Å; D251-R313 IonicContact OD1-CZ 2.79Å; D251-R313 IonicContact OD1-NH2 2.64Å; D251-R313 IonicContact OD2-CZ 3.65Å; D251-R313 IonicContact OD2-NE 3.92Å; D251-R313 PolarHBondContact OD2-NE 3.35Å; D251-R313 IonicContact OD2-NH2 2.64Å; D251-R313 PolarHBondContact OD2-NH2 3.21Å
252	L	93.6	Very high	91.4	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	141.3	-170.5	-70.7	172.3	0	0	0	112.4	E241 L244 H254 Y304 L305 K311 R313	E241-L252 HydrophobicContact CG-CD2 4.42Å; L244-L252 HydrophobicContact CB-CD2 3.92Å; L244-L252 CarbonylContact O-C 3.54Å; L244-L252 WeakPolarHBondContact O-CA 3.14Å; L252-H254 PolarHBondContact O-N 2.92Å; L252-Y304 HydrophobicContact CD1-CD1 3.99Å; L252-Y304 HydrophobicContact CD1-CE1 4.29Å; L252-Y304 HydrophobicContact CD2-CD1 4.14Å; L252-Y304 HydrophobicContact CD2-CE1 4.34Å; L252-L305 HydrophobicContact CD1-CD2 3.81Å; L252-K311 HydrophobicContact CD1-CB 4.18Å; L252-R313 PolarHBondContact O-NH1 3.23Å; L252-R313 PolarHBondContact O-NH2 3.38Å
253	L	94.8	Very high	91.7	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.042	24%	0.244	C	C	.	.			trans	-62.2	138.5	-177	-71.1	154.4	0	0	0	112	L244 C246 C256 V265 F266 V301	L244-L253 WeakPolarHBondContact O-CD1 3.47Å; L244-L253 VanDerWaalsContact O-CG 3.29Å; L244-L253 WeakPolarHBondContact O-CG 3.28Å; L244-L253 PolarHBondContact O-N 2.98Å; C246-L253 HydrophobicContact CB-CD2 3.63Å; C246-L253 HydrophobicContact CB-CG 4.21Å; L253-C256 WeakPolarHBondContact CB-SG 3.48Å; L253-V265 HydrophobicContact CD1-CG1 4Å; L253-V265 HydrophobicContact CD2-CG1 4.08Å; L253-F266 VanDerWaalsContact CD2-C 3.47Å; L253-V301 HydrophobicContact CB-CG2 4.3Å
254	H	93.8	Very high	92	Very high	46 Å²	46	42 Å²	42	21%	0.213	23%	0.225	C	C	.	.	S	Bend	trans	-136.1	133.2	174.5	171	62.9	0	0	0	110.8	L252 C267 A268 M321 N322	L252-H254 PolarHBondContact O-N 2.92Å; H254-C267 PolarHBondContact N-SG 2.87Å; H254-C267 WeakPolarHBondContact O-CA 3.32Å; H254-C267 WeakPolarHBondContact O-CB 3.37Å; H254-A268 PolarHBondContact O-N 2.93Å; H254-M321 HydrophobicContact CB-CE 4.13Å; H254-M321 HydrophobicContact CB-SD 4.5Å; H254-N322 PolarHBondContact NE2-OD1 3.47Å
255	D	92	Very high	92.1	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.118	23%	0.234	C	C	.	.	S	Bend	trans	43.3	67.4	-161.3	-166.6	20.5	0	0	0	111.6	I257 A268 K293 N325	D255-I257 PolarHBondContact O-N 2.99Å; D255-A268 HydrophobicContact CB-CB 3.94Å; D255-A268 WeakPolarHBondContact O-CB 3.41Å; D255-A268 PolarHBondContact O-N 3.27Å; D255-A268 WeakPolarHBondContact OD2-CB 3.45Å; D255-K293 IonicContact OD1-NZ 3.76Å; D255-K293 PolarHBondContact OD1-NZ 3.1Å; D255-K293 IonicContact OD2-NZ 2.79Å; D255-K293 PolarHBondContact OD2-NZ 2.89Å; D255-N325 PolarHBondContact OD2-ND2 3.41Å; D255-N325 VanDerWaalsContact OD2-ND2 3.12Å
256	C	92.8	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	125.7	-175.7	-63	0	0	0	0	111.5	L253 V265 K293 N294 L297 N298	L253-C256 WeakPolarHBondContact CB-SG 3.48Å; C256-V265 HydrophobicContact CB-CG1 4.31Å; C256-K293 CarbonylContact O-C 3.54Å; C256-K293 WeakPolarHBondContact O-CA 3.21Å; C256-N294 HydrophobicContact CB-CB 4.14Å; C256-N294 PolarHBondContact O-N 3.22Å; C256-L297 HydrophobicContact CB-CB 4.02Å; C256-L297 VanDerWaalsContact SG-C 3.6Å; C256-N298 VanDerWaalsContact CB-OD1 3.27Å; C256-N298 WeakPolarHBondContact CB-OD1 3.28Å; C256-N298 PolarHBondContact N-OD1 3.17Å; C256-N298 PolarHBondContact SG-OD1 3.24Å
257	I	94.4	Very high	92.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142	168.6	56.2	158	0	0	0	111.2	D255 L259 V265 F266 A268 Y271 I291 C292 K293 I327	D255-I257 PolarHBondContact O-N 2.99Å; I257-L259 HydrophobicContact CD1-CD2 3.92Å; I257-V265 VanDerWaalsContact O-CA 3.23Å; I257-V265 WeakPolarHBondContact O-CA 3.5Å; I257-V265 WeakPolarHBondContact O-CG1 3.49Å; I257-F266 HydrophobicContact CG1-CB 4.43Å; I257-F266 VanDerWaalsContact CG1-O 3.22Å; I257-F266 WeakPolarHBondContact CG1-O 3.4Å; I257-F266 PolarHBondContact N-O 2.82Å; I257-F266 PolarHBondContact O-N 2.81Å; I257-A268 HydrophobicContact CG2-CB 4.04Å; I257-Y271 VanDerWaalsContact CD1-CB 3.49Å; I257-Y271 HydrophobicContact CD1-CD1 3.46Å; I257-Y271 VanDerWaalsContact CD1-CD1 3.46Å; I257-Y271 HydrophobicContact CD1-CG 3.77Å; I257-I291 HydrophobicContact CB-CG2 3.95Å; I257-I291 HydrophobicContact CD1-CG2 3.89Å; I257-I291 HydrophobicContact CG2-CG2 4.07Å; I257-C292 CarbonylContact C-O 3.59Å; I257-C292 VanDerWaalsContact CA-O 3.29Å; I257-C292 WeakPolarHBondContact CA-O 3.41Å; I257-K293 HydrophobicContact CG2-CG 4.35Å; I257-I327 HydrophobicContact CD1-CD1 3.57Å
258	S	94.3	Very high	92.4	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.1	169.9	-64.8	0	0	0	0	110.6	H264 C292 N294	S258-H264 WeakPolarHBondContact CA-O 3.32Å; S258-C292 PolarHBondContact N-O 2.79Å; S258-C292 PolarHBondContact O-N 3.33Å; S258-N294 PolarHBondContact OG-ND2 3.03Å
259	L	93.2	Very high	92.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.9	-179.2	-52.2	-172.8	0	0	0	111.4	I257 C262 M263 H264 F266 Y271 C281 V288 I291	I257-L259 HydrophobicContact CD1-CD2 3.92Å; L259-C262 CarbonylContact O-C 3.58Å; L259-C262 PolarHBondContact O-N 3.33Å; L259-C262 VanDerWaalsContact O-N 3.15Å; L259-C262 PolarHBondContact O-SG 3.42Å; L259-C262 VanDerWaalsContact O-SG 3.34Å; L259-M263 WeakPolarHBondContact O-CA 3.44Å; L259-M263 PolarHBondContact O-N 3.06Å; L259-H264 PolarHBondContact N-O 3.08Å; L259-F266 HydrophobicContact CD1-CD2 3.67Å; L259-F266 HydrophobicContact CD1-CE2 3.37Å; L259-F266 HydrophobicContact CD1-CZ 4.39Å; L259-F266 HydrophobicContact CG-CD2 3.86Å; L259-F266 HydrophobicContact CG-CE2 3.82Å; L259-Y271 HydrophobicContact CD1-CD2 3.75Å; L259-Y271 HydrophobicContact CD1-CE1 4.23Å; L259-Y271 HydrophobicContact CD1-CE2 3.44Å; L259-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L259-Y271 HydrophobicContact CD1-CG 4.3Å; L259-Y271 HydrophobicContact CD2-CD1 3.67Å; L259-Y271 HydrophobicContact CD2-CD2 4.36Å; L259-Y271 HydrophobicContact CD2-CE1 3.5Å; L259-Y271 VanDerWaalsContact CD2-CE1 3.5Å; L259-Y271 HydrophobicContact CD2-CE2 4.25Å; L259-Y271 HydrophobicContact CD2-CG 4.11Å; L259-C281 HydrophobicContact CD1-CB 4.27Å; L259-V288 HydrophobicContact CB-CG1 4.03Å; L259-V288 HydrophobicContact CB-CG2 4.14Å; L259-V288 HydrophobicContact CD1-CG2 3.95Å; L259-V288 HydrophobicContact CD2-CG1 4.26Å; L259-I291 HydrophobicContact CD2-CG1 4.27Å; L259-I291 HydrophobicContact CD2-CG2 4.27Å
260	Q	83.3	Confident	92.6	Very high	40 Å²	40	33 Å²	33	19%	0.187	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	143.7	177.9	-63	-173.1	-8.4	0	0	111.3	M263 V288 E289 R290 C292	Q260-M263 HydrophobicContact CG-CE 4.09Å; Q260-M263 HydrophobicContact CG-SD 4.07Å; Q260-V288 WeakPolarHBondContact O-CA 3.34Å; Q260-E289 PolarHBondContact O-N 2.59Å; Q260-R290 HydrophobicContact CB-CB 4.03Å; Q260-R290 HydrophobicContact CG-CB 4.44Å; Q260-R290 PolarHBondContact N-O 2.74Å; Q260-C292 PolarHBondContact NE2-SG 3.22Å
261	P	82.8	Confident	92.7	Very high	53 Å²	53	25.1 Å²	25.1	34%	0.344	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.8	-2.2	5.4	34.5	-36.4	0	0	0	114.8	M263 P287	P261-M263 PolarHBondContact O-N 3.45Å; P261-P287 WeakPolarHBondContact CD-O 3.4Å
262	C	86.9	Confident	92.7	Very high	26 Å²	26	22.5 Å²	22.5	18%	0.176	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.2	-167	68.8	0	0	0	0	116.4	L259 H264 C281 C284 C286	L259-C262 CarbonylContact O-C 3.58Å; L259-C262 PolarHBondContact O-N 3.33Å; L259-C262 VanDerWaalsContact O-N 3.15Å; L259-C262 PolarHBondContact O-SG 3.42Å; L259-C262 VanDerWaalsContact O-SG 3.34Å; C262-H264 PolarHBondContact O-N 3.06Å; C262-H264 PolarHBondContact O-ND1 3.21Å; C262-C281 VanDerWaalsContact SG-SG 3.64Å; C262-C284 WeakPolarHBondContact CB-SG 3.5Å; C262-C286 HydrophobicContact CB-CB 3.92Å
263	M	91.9	Very high	92.6	Very high	113 Å²	113	23.7 Å²	23.7	56%	0.557	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	18.1	178.2	-56.2	-56	-175.3	0	0	117.1	L259 Q260 P261	L259-M263 WeakPolarHBondContact O-CA 3.44Å; L259-M263 PolarHBondContact O-N 3.06Å; Q260-M263 HydrophobicContact CG-CE 4.09Å; Q260-M263 HydrophobicContact CG-SD 4.07Å; P261-M263 PolarHBondContact O-N 3.45Å
264	H	94.3	Very high	92.5	Very high	62 Å²	62	27.7 Å²	27.7	29%	0.287	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	145.4	174.9	-72.6	71.9	0	0	0	110.8	S258 L259 C262 F266 T283	S258-H264 WeakPolarHBondContact CA-O 3.32Å; L259-H264 PolarHBondContact N-O 3.08Å; C262-H264 PolarHBondContact O-N 3.06Å; C262-H264 PolarHBondContact O-ND1 3.21Å; H264-F266 HydrophobicContact CB-CE2 3.71Å; H264-F266 HydrophobicContact CB-CZ 3.91Å; H264-T283 WeakPolarHBondContact CD2-CB 3.41Å; H264-T283 VanDerWaalsContact CD2-CG2 3.5Å; H264-T283 WeakPolarHBondContact CD2-CG2 3.09Å
265	V	95.4	Very high	92.3	Very high	38 Å²	38	28.4 Å²	28.4	23%	0.23	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.4	-167.8	-164.4	0	0	0	0	111.9	L253 C256 I257 L297	L253-V265 HydrophobicContact CD1-CG1 4Å; L253-V265 HydrophobicContact CD2-CG1 4.08Å; C256-V265 HydrophobicContact CB-CG1 4.31Å; I257-V265 VanDerWaalsContact O-CA 3.23Å; I257-V265 WeakPolarHBondContact O-CA 3.5Å; I257-V265 WeakPolarHBondContact O-CG1 3.49Å; V265-L297 HydrophobicContact CB-CD1 4.14Å; V265-L297 HydrophobicContact CG1-CD1 3.64Å; V265-L297 HydrophobicContact CG2-CD1 3.66Å
266	F	96.6	Very high	92	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163	179.5	-50.5	-87.3	0	0	0	111.2	V247 I248 L253 I257 L259 H264 P282 T283	V247-F266 HydrophobicContact CG2-CD1 4.1Å; V247-F266 HydrophobicContact CG2-CE1 3.57Å; I248-F266 HydrophobicContact CD1-CB 4.32Å; I248-F266 HydrophobicContact CD1-CD1 3.47Å; I248-F266 VanDerWaalsContact CD1-CD1 3.47Å; I248-F266 HydrophobicContact CD1-CE1 4.12Å; I248-F266 HydrophobicContact CD1-CG 4.12Å; I248-F266 HydrophobicContact CG1-CD1 3.8Å; I248-F266 HydrophobicContact CG1-CE1 4.23Å; L253-F266 VanDerWaalsContact CD2-C 3.47Å; I257-F266 HydrophobicContact CG1-CB 4.43Å; I257-F266 VanDerWaalsContact CG1-O 3.22Å; I257-F266 WeakPolarHBondContact CG1-O 3.4Å; I257-F266 PolarHBondContact N-O 2.82Å; I257-F266 PolarHBondContact O-N 2.81Å; L259-F266 HydrophobicContact CD1-CD2 3.67Å; L259-F266 HydrophobicContact CD1-CE2 3.37Å; L259-F266 HydrophobicContact CD1-CZ 4.39Å; L259-F266 HydrophobicContact CG-CD2 3.86Å; L259-F266 HydrophobicContact CG-CE2 3.82Å; H264-F266 HydrophobicContact CB-CE2 3.71Å; H264-F266 HydrophobicContact CB-CZ 3.91Å; F266-P282 HydrophobicContact CD1-CG 4.25Å; F266-P282 HydrophobicContact CE1-CB 3.75Å; F266-P282 HydrophobicContact CE1-CG 3.7Å; F266-P282 HydrophobicContact CE2-CG 4.29Å; F266-P282 HydrophobicContact CZ-CB 3.94Å; F266-P282 HydrophobicContact CZ-CG 3.73Å; F266-T283 WeakPolarHBondContact CZ-OG1 3.42Å
267	C	96.1	Very high	91.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139	163.7	-49.3	0	0	0	0	109.6	C246 H254 A269 C270 Y271 M321	C246-C267 WeakPolarHBondContact CB-SG 3.34Å; C246-C267 PolarHBondContact SG-N 3.06Å; H254-C267 PolarHBondContact N-SG 2.87Å; H254-C267 WeakPolarHBondContact O-CA 3.32Å; H254-C267 WeakPolarHBondContact O-CB 3.37Å; C267-A269 VanDerWaalsContact C-N 3.31Å; C267-A269 PolarHBondContact O-N 3.06Å; C267-C270 HydrophobicContact CB-CB 4.06Å; C267-C270 PolarHBondContact O-N 3.42Å; C267-C270 VanDerWaalsContact O-N 3.07Å; C267-Y271 PolarHBondContact O-N 2.66Å; C267-Y271 VanDerWaalsContact O-N 3.08Å; C267-M321 HydrophobicContact CB-CE 3.62Å
268	A	94.6	Very high	91.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-56.3	-41.9	-177.7	0	0	0	0	0	113.3	H254 D255 I257 S272 N325 I327	H254-A268 PolarHBondContact O-N 2.93Å; D255-A268 HydrophobicContact CB-CB 3.94Å; D255-A268 WeakPolarHBondContact O-CB 3.41Å; D255-A268 PolarHBondContact O-N 3.27Å; D255-A268 WeakPolarHBondContact OD2-CB 3.45Å; I257-A268 HydrophobicContact CG2-CB 4.04Å; A268-S272 WeakPolarHBondContact O-CB 3.47Å; A268-S272 PolarHBondContact O-N 3.04Å; A268-S272 PolarHBondContact O-OG 2.92Å; A268-N325 VanDerWaalsContact CB-ND2 3.29Å; A268-N325 WeakPolarHBondContact CB-ND2 3.49Å; A268-I327 HydrophobicContact CB-CD1 4.15Å; A268-I327 WeakPolarHBondContact O-CD1 3.41Å
269	A	94.6	Very high	90.8	Very high	9 Å²	9	48.1 Å²	48.1	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-46	174.8	0	0	0	0	0	112.8	C267 Y271 S272 G273 M321 Q324	C267-A269 VanDerWaalsContact C-N 3.31Å; C267-A269 PolarHBondContact O-N 3.06Å; A269-Y271 PolarHBondContact O-N 3.11Å; A269-S272 WeakPolarHBondContact O-CB 3.49Å; A269-S272 PolarHBondContact O-N 3.49Å; A269-G273 PolarHBondContact O-N 3.02Å; A269-M321 HydrophobicContact CB-CB 3.99Å; A269-M321 HydrophobicContact CB-CE 4.34Å; A269-M321 HydrophobicContact CB-CG 4.43Å; A269-M321 VanDerWaalsContact CB-O 3.23Å; A269-M321 WeakPolarHBondContact CB-O 3.07Å; A269-Q324 HydrophobicContact CB-CB 4.37Å
270	C	95	Very high	90.6	Very high	25 Å²	25	51 Å²	51	17%	0.169	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-39.2	-177.9	-64.2	0	0	0	0	112.3	I248 C267 W274	I248-C270 HydrophobicContact CB-CB 3.9Å; I248-C270 HydrophobicContact CD1-CB 3.81Å; I248-C270 HydrophobicContact CG1-CB 4.46Å; I248-C270 HydrophobicContact CG2-CB 3.82Å; C267-C270 HydrophobicContact CB-CB 4.06Å; C267-C270 PolarHBondContact O-N 3.42Å; C267-C270 VanDerWaalsContact O-N 3.07Å; C270-W274 PolarHBondContact O-N 3.06Å
271	Y	94.9	Very high	90.9	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-76.2	-31.7	174.1	-175.1	-115.2	0	0	0	112.8	I257 L259 C267 A269 G273 W274 M275 P282 V288 I291 I327	I257-Y271 VanDerWaalsContact CD1-CB 3.49Å; I257-Y271 HydrophobicContact CD1-CD1 3.46Å; I257-Y271 VanDerWaalsContact CD1-CD1 3.46Å; I257-Y271 HydrophobicContact CD1-CG 3.77Å; L259-Y271 HydrophobicContact CD1-CD2 3.75Å; L259-Y271 HydrophobicContact CD1-CE1 4.23Å; L259-Y271 HydrophobicContact CD1-CE2 3.44Å; L259-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L259-Y271 HydrophobicContact CD1-CG 4.3Å; L259-Y271 HydrophobicContact CD2-CD1 3.67Å; L259-Y271 HydrophobicContact CD2-CD2 4.36Å; L259-Y271 HydrophobicContact CD2-CE1 3.5Å; L259-Y271 VanDerWaalsContact CD2-CE1 3.5Å; L259-Y271 HydrophobicContact CD2-CE2 4.25Å; L259-Y271 HydrophobicContact CD2-CG 4.11Å; C267-Y271 PolarHBondContact O-N 2.66Å; C267-Y271 VanDerWaalsContact O-N 3.08Å; A269-Y271 PolarHBondContact O-N 3.11Å; Y271-G273 VanDerWaalsContact C-N 3.33Å; Y271-G273 PolarHBondContact O-N 2.65Å; Y271-W274 HydrophobicContact CD2-CB 4.22Å; Y271-W274 HydrophobicContact CD2-CG 4.42Å; Y271-W274 AromaticContact CE2-CD1 3.74Å; Y271-W274 WeakPolarHBondContact O-CB 3.34Å; Y271-W274 PolarHBondContact O-N 2.83Å; Y271-M275 HydrophobicContact CD1-CE 4.04Å; Y271-M275 HydrophobicContact CE1-CE 3.68Å; Y271-M275 PolarHBondContact O-N 3.23Å; Y271-P282 HydrophobicContact CD2-CG 4.1Å; Y271-P282 HydrophobicContact CE2-CG 4.42Å; Y271-V288 WeakPolarHBondContact OH-CG2 3.48Å; Y271-I291 HydrophobicContact CD1-CD1 4.35Å; Y271-I291 HydrophobicContact CE1-CD1 3.78Å; Y271-I291 HydrophobicContact CE1-CG1 4.09Å; Y271-I327 HydrophobicContact CD1-CD1 4.11Å
272	S	92.4	Very high	91.4	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-54.2	-48.3	173	-64.2	0	0	0	0	111.6	A268 A269 W274 M275 N325 K326	A268-S272 WeakPolarHBondContact O-CB 3.47Å; A268-S272 PolarHBondContact O-N 3.04Å; A268-S272 PolarHBondContact O-OG 2.92Å; A269-S272 WeakPolarHBondContact O-CB 3.49Å; A269-S272 PolarHBondContact O-N 3.49Å; S272-W274 VanDerWaalsContact C-N 3.29Å; S272-W274 PolarHBondContact O-N 3.12Å; S272-M275 PolarHBondContact O-N 2.73Å; S272-N325 PolarHBondContact OG-OD1 2.89Å; S272-K326 PolarHBondContact OG-N 3.14Å
273	G	91.4	Very high	91.5	Very high	34 Å²	34	50.1 Å²	50.1	35%	0.351	26%	0.261	S	S	.	.	H	α-helix	trans	-70.3	-19.6	176.4	0	0	0	0	0	115	A269 Y271	A269-G273 PolarHBondContact O-N 3.02Å; Y271-G273 VanDerWaalsContact C-N 3.33Å; Y271-G273 PolarHBondContact O-N 2.65Å
274	W	92.1	Very high	91.2	Very high	92 Å²	92	47 Å²	47	35%	0.348	25%	0.25	S	S	.	.	H	α-helix	trans	-80	-38.7	172.6	180	-90.7	0	0	0	112.2	C270 Y271 S272 E276 R277 S278 L280 P282	C270-W274 PolarHBondContact O-N 3.06Å; Y271-W274 HydrophobicContact CD2-CB 4.22Å; Y271-W274 HydrophobicContact CD2-CG 4.42Å; Y271-W274 AromaticContact CE2-CD1 3.74Å; Y271-W274 WeakPolarHBondContact O-CB 3.34Å; Y271-W274 PolarHBondContact O-N 2.83Å; S272-W274 VanDerWaalsContact C-N 3.29Å; S272-W274 PolarHBondContact O-N 3.12Å; W274-E276 PolarHBondContact O-N 2.68Å; W274-R277 WeakPolarHBondContact O-CA 3.38Å; W274-R277 WeakPolarHBondContact O-CB 3.25Å; W274-R277 PolarHBondContact O-N 3.25Å; W274-S278 PolarHBondContact O-N 2.8Å; W274-L280 PolarHBondContact NE1-O 2.85Å; W274-P282 HydrophobicContact CD2-CB 4.24Å; W274-P282 HydrophobicContact CD2-CG 3.93Å; W274-P282 HydrophobicContact CG-CG 3.83Å; W274-P282 HydrophobicContact CZ2-CB 4.38Å
275	M	90.5	Very high	90.9	Very high	60 Å²	60	50.6 Å²	50.6	30%	0.296	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-32.5	-176.5	-165.3	-168.5	-54.8	0	0	113	Y271 S272 R277 I291 I327 M331	Y271-M275 HydrophobicContact CD1-CE 4.04Å; Y271-M275 HydrophobicContact CE1-CE 3.68Å; Y271-M275 PolarHBondContact O-N 3.23Å; S272-M275 PolarHBondContact O-N 2.73Å; M275-R277 PolarHBondContact O-N 2.72Å; M275-R277 VanDerWaalsContact O-N 3.11Å; M275-I291 HydrophobicContact CE-CD1 3.55Å; M275-I327 HydrophobicContact CE-CG1 4.03Å; M275-M331 HydrophobicContact CE-CE 3.7Å; M275-M331 HydrophobicContact SD-CE 3.58Å; M275-M331 VanDerWaalsContact SD-CE 3.58Å
276	E	84.3	Confident	89.9	Confident	127 Å²	127	50.9 Å²	50.9	59%	0.593	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.3	172.9	-61	-174.4	166.3	0	0	113.8	W274 K326	W274-E276 PolarHBondContact O-N 2.68Å; E276-K326 IonicContact OE1-NZ 3.7Å; E276-K326 PolarHBondContact OE1-NZ 2.81Å
277	R	85.6	Confident	88.9	Confident	207 Å²	207	55 Å²	55	78%	0.781	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-28.4	-174.3	-52	179.2	-171.9	-177.1	1.6	112.6	W274 M275	W274-R277 WeakPolarHBondContact O-CA 3.38Å; W274-R277 WeakPolarHBondContact O-CB 3.25Å; W274-R277 PolarHBondContact O-N 3.25Å; M275-R277 PolarHBondContact O-N 2.72Å; M275-R277 VanDerWaalsContact O-N 3.11Å
278	S	85.4	Confident	88.5	Confident	34 Å²	34	56.4 Å²	56.4	24%	0.238	30%	0.3	C	S	.	.			trans	-160.4	138.3	179.4	-165.7	0	0	0	0	113.2	W274 L280	W274-S278 PolarHBondContact O-N 2.8Å; S278-L280 PolarHBondContact O-N 2.92Å; S278-L280 WeakPolarHBondContact OG-CB 3.24Å; S278-L280 PolarHBondContact OG-N 3.15Å
279	S	84.9	Confident	88	Confident	82 Å²	82	62 Å²	62	57%	0.573	33%	0.326	S	S	*	.	S	Bend	trans	-81.7	5.6	166.9	53.4	0	0	0	0	113.7	V288	S279-V288 PolarHBondContact O-N 3.43Å
280	L	89.3	Confident	87.5	Confident	61 Å²	61	65.5 Å²	65.5	32%	0.319	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-96	145.3	177.3	-52	-176.3	0	0	0	110.8	W274 S278 R285 C286 P287	W274-L280 PolarHBondContact NE1-O 2.85Å; S278-L280 PolarHBondContact O-N 2.92Å; S278-L280 WeakPolarHBondContact OG-CB 3.24Å; S278-L280 PolarHBondContact OG-N 3.15Å; L280-R285 HydrophobicContact CB-CB 4.44Å; L280-R285 HydrophobicContact CD1-CB 4.44Å; L280-C286 CarbonylContact C-O 3.6Å; L280-C286 WeakPolarHBondContact CA-O 3.48Å; L280-P287 HydrophobicContact CD2-CB 4.21Å; L280-P287 HydrophobicContact CD2-CG 4.02Å
281	C	90.9	Very high	87.3	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.332	C	S	.	.			trans	-57.8	132.1	176.7	172.7	0	0	0	0	111.8	L259 C262 T283 C284 R285 C286 V288	L259-C281 HydrophobicContact CD1-CB 4.27Å; C262-C281 VanDerWaalsContact SG-SG 3.64Å; C281-T283 VanDerWaalsContact C-N 3.28Å; C281-T283 PolarHBondContact O-N 3.21Å; C281-C284 PolarHBondContact SG-SG 2.82Å; C281-R285 WeakPolarHBondContact O-CA 3.22Å; C281-R285 PolarHBondContact O-N 3.18Å; C281-C286 PolarHBondContact N-O 3.03Å; C281-V288 HydrophobicContact CB-CG2 4.1Å
282	P	91.6	Very high	87	Confident	27 Å²	27	66.5 Å²	66.5	18%	0.175	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.4	179.3	-24.4	29.1	0	0	0	114.3	I248 F266 Y271 W274	I248-P282 HydrophobicContact CD1-CB 4.47Å; I248-P282 HydrophobicContact CD1-CG 4.05Å; F266-P282 HydrophobicContact CD1-CG 4.25Å; F266-P282 HydrophobicContact CE1-CB 3.75Å; F266-P282 HydrophobicContact CE1-CG 3.7Å; F266-P282 HydrophobicContact CE2-CG 4.29Å; F266-P282 HydrophobicContact CZ-CB 3.94Å; F266-P282 HydrophobicContact CZ-CG 3.73Å; Y271-P282 HydrophobicContact CD2-CG 4.1Å; Y271-P282 HydrophobicContact CE2-CG 4.42Å; W274-P282 HydrophobicContact CD2-CB 4.24Å; W274-P282 HydrophobicContact CD2-CG 3.93Å; W274-P282 HydrophobicContact CG-CG 3.83Å; W274-P282 HydrophobicContact CZ2-CB 4.38Å
283	T	90.1	Very high	86.9	Confident	72 Å²	72	71.1 Å²	71.1	44%	0.442	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-54.9	-173.8	-47.1	0	0	0	0	112.5	H264 F266 C281	H264-T283 WeakPolarHBondContact CD2-CB 3.41Å; H264-T283 VanDerWaalsContact CD2-CG2 3.5Å; H264-T283 WeakPolarHBondContact CD2-CG2 3.09Å; F266-T283 WeakPolarHBondContact CZ-OG1 3.42Å; C281-T283 VanDerWaalsContact C-N 3.28Å; C281-T283 PolarHBondContact O-N 3.21Å
284	C	85.9	Confident	86.8	Confident	49 Å²	49	71.2 Å²	71.2	33%	0.331	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-7.4	-170.9	66.5	0	0	0	0	114.8	C262 C281 C286	C262-C284 WeakPolarHBondContact CB-SG 3.5Å; C281-C284 PolarHBondContact SG-SG 2.82Å; C284-C286 PolarHBondContact O-N 3.04Å; C284-C286 VanDerWaalsContact O-N 3.11Å
285	R	86.9	Confident	86.7	Confident	137 Å²	137	76.2 Å²	76.2	52%	0.517	38%	0.375	S	S	.	.			trans	58.1	15.4	-178.1	-52.6	-177.2	-175.9	-178	1.5	116.2	L280 C281	L280-R285 HydrophobicContact CB-CB 4.44Å; L280-R285 HydrophobicContact CD1-CB 4.44Å; C281-R285 WeakPolarHBondContact O-CA 3.22Å; C281-R285 PolarHBondContact O-N 3.18Å
286	C	75.8	Confident	86.7	Confident	44 Å²	44	78.9 Å²	78.9	30%	0.297	39%	0.389	S	S	.	.			trans	-58.4	141.7	164.2	-64.4	0	0	0	0	110	C262 L280 C281 C284 V288	C262-C286 HydrophobicContact CB-CB 3.92Å; L280-C286 CarbonylContact C-O 3.6Å; L280-C286 WeakPolarHBondContact CA-O 3.48Å; C281-C286 PolarHBondContact N-O 3.03Å; C284-C286 PolarHBondContact O-N 3.04Å; C284-C286 VanDerWaalsContact O-N 3.11Å; C286-V288 PolarHBondContact O-N 3.13Å
287	P	75.4	Confident	87.1	Confident	87 Å²	87	74.5 Å²	74.5	57%	0.565	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-54.8	137.8	166.1	-23.5	34.2	0	0	0	110.7	P261 L280	P261-P287 WeakPolarHBondContact CD-O 3.4Å; L280-P287 HydrophobicContact CD2-CB 4.21Å; L280-P287 HydrophobicContact CD2-CG 4.02Å
288	V	86.9	Confident	87.4	Confident	29 Å²	29	66 Å²	66	18%	0.176	34%	0.339	C	S	.	.			trans	-97.2	114.7	178.6	-178.7	0	0	0	0	108.8	L259 Q260 Y271 S279 C281 C286 I291	L259-V288 HydrophobicContact CB-CG1 4.03Å; L259-V288 HydrophobicContact CB-CG2 4.14Å; L259-V288 HydrophobicContact CD1-CG2 3.95Å; L259-V288 HydrophobicContact CD2-CG1 4.26Å; Q260-V288 WeakPolarHBondContact O-CA 3.34Å; Y271-V288 WeakPolarHBondContact OH-CG2 3.48Å; S279-V288 PolarHBondContact O-N 3.43Å; C281-V288 HydrophobicContact CB-CG2 4.1Å; C286-V288 PolarHBondContact O-N 3.13Å; V288-I291 HydrophobicContact CG1-CG1 4.31Å
289	E	83.4	Confident	87.8	Confident	118 Å²	118	68.7 Å²	68.7	55%	0.551	35%	0.351	S	S	*	.			trans	-87.4	-38.8	179.3	-66.4	176.1	-169.1	0	0	112.1	Q260	Q260-E289 PolarHBondContact O-N 2.59Å
290	R	84.4	Confident	88.2	Confident	82 Å²	82	68.7 Å²	68.7	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.9	-173.4	-86.2	168.9	-75.2	169.7	-0.9	110.7	Q260	Q260-R290 HydrophobicContact CB-CB 4.03Å; Q260-R290 HydrophobicContact CG-CB 4.44Å; Q260-R290 PolarHBondContact N-O 2.74Å
291	I	91.1	Very high	88.3	Confident	12 Å²	12	66.2 Å²	66.2	6%	0.062	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.4	176.8	-53.1	166.6	0	0	0	106.9	I257 L259 Y271 M275 V288 I327 M331 L332	I257-I291 HydrophobicContact CB-CG2 3.95Å; I257-I291 HydrophobicContact CD1-CG2 3.89Å; I257-I291 HydrophobicContact CG2-CG2 4.07Å; L259-I291 HydrophobicContact CD2-CG1 4.27Å; L259-I291 HydrophobicContact CD2-CG2 4.27Å; Y271-I291 HydrophobicContact CD1-CD1 4.35Å; Y271-I291 HydrophobicContact CE1-CD1 3.78Å; Y271-I291 HydrophobicContact CE1-CG1 4.09Å; M275-I291 HydrophobicContact CE-CD1 3.55Å; V288-I291 HydrophobicContact CG1-CG1 4.31Å; I291-I327 HydrophobicContact CD1-CG1 4.43Å; I291-I327 HydrophobicContact CD1-CG2 4.46Å; I291-I327 HydrophobicContact CG2-CD1 4.45Å; I291-I327 HydrophobicContact CG2-CG2 4.25Å; I291-M331 HydrophobicContact CD1-CE 4.22Å; I291-L332 HydrophobicContact CB-CD2 4.35Å; I291-L332 HydrophobicContact CG2-CD2 3.93Å
292	C	88.6	Confident	88.3	Confident	39 Å²	39	72 Å²	72	26%	0.264	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.6	177.3	-57.7	0	0	0	0	110.1	I257 S258 Q260 N294	I257-C292 CarbonylContact C-O 3.59Å; I257-C292 VanDerWaalsContact CA-O 3.29Å; I257-C292 WeakPolarHBondContact CA-O 3.41Å; S258-C292 PolarHBondContact N-O 2.79Å; S258-C292 PolarHBondContact O-N 3.33Å; Q260-C292 PolarHBondContact NE2-SG 3.22Å; C292-N294 PolarHBondContact O-N 2.64Å
293	K	90.9	Very high	88.3	Confident	101 Å²	101	72.8 Å²	72.8	44%	0.439	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	130.5	168.1	-80.5	175	179.9	-97.7	0	109.1	D255 C256 I257 L332	D255-K293 IonicContact OD1-NZ 3.76Å; D255-K293 PolarHBondContact OD1-NZ 3.1Å; D255-K293 IonicContact OD2-NZ 2.79Å; D255-K293 PolarHBondContact OD2-NZ 2.89Å; C256-K293 CarbonylContact O-C 3.54Å; C256-K293 WeakPolarHBondContact O-CA 3.21Å; I257-K293 HydrophobicContact CG2-CG 4.35Å; K293-L332 HydrophobicContact CD-CD1 3.74Å; K293-L332 VanDerWaalsContact CE-CD1 3.41Å; K293-L332 HydrophobicContact CG-CD1 3.87Å; K293-L332 HydrophobicContact CG-CD2 4.13Å
294	N	88.9	Confident	88.4	Confident	36 Å²	36	69.5 Å²	69.5	19%	0.193	35%	0.347	C	S	.	.			trans	-102.1	89.7	-179.4	-170	-25.4	0	0	0	109.1	C256 S258 C292 I296 L297 N298	C256-N294 HydrophobicContact CB-CB 4.14Å; C256-N294 PolarHBondContact O-N 3.22Å; S258-N294 PolarHBondContact OG-ND2 3.03Å; C292-N294 PolarHBondContact O-N 2.64Å; N294-I296 PolarHBondContact O-N 2.98Å; N294-L297 HydrophobicContact CB-CB 4.43Å; N294-L297 VanDerWaalsContact ND2-CD1 3.32Å; N294-L297 WeakPolarHBondContact ND2-CD1 3.23Å; N294-L297 PolarHBondContact O-N 3.05Å; N294-L297 PolarHBondContact OD1-N 3.19Å; N294-N298 PolarHBondContact O-N 3.15Å
295	R	89.3	Confident	88.7	Confident	197 Å²	197	69.6 Å²	69.6	74%	0.743	34%	0.344	S	S	*	.	H	α-helix	trans	-56.9	-50.7	-178.8	-68.6	-172.1	178.8	-170.7	-1.7	111.4	L297 N298 D299	R295-L297 PolarHBondContact O-N 3.13Å; R295-N298 CarbonylContact O-C 3.55Å; R295-N298 WeakPolarHBondContact O-CA 3.24Å; R295-N298 WeakPolarHBondContact O-CB 3.34Å; R295-N298 PolarHBondContact O-N 3.15Å; R295-D299 VanDerWaalsContact C-CG 3.49Å; R295-D299 PolarHBondContact O-N 2.82Å; R295-D299 VanDerWaalsContact O-OD1 3.09Å
296	I	91.9	Very high	88.9	Confident	116 Å²	116	69.8 Å²	69.8	60%	0.595	35%	0.353	S	S	*	.	H	α-helix	trans	-49.8	-39.4	-179.1	-56	173.5	0	0	0	112.4	N294 D299 L300	N294-I296 PolarHBondContact O-N 2.98Å; I296-D299 WeakPolarHBondContact CA-OD2 3.5Å; I296-D299 PolarHBondContact N-OD2 2.99Å; I296-L300 HydrophobicContact CG2-CD1 4.09Å; I296-L300 WeakPolarHBondContact O-CB 3.3Å; I296-L300 WeakPolarHBondContact O-CD1 3.47Å; I296-L300 VanDerWaalsContact O-CG 3.22Å; I296-L300 WeakPolarHBondContact O-CG 3.3Å; I296-L300 PolarHBondContact O-N 2.93Å
297	L	92.5	Very high	89.5	Confident	35 Å²	35	73.7 Å²	73.7	18%	0.183	37%	0.367	C	S	.	.	H	α-helix	trans	-79.1	-28.3	177.2	-70.2	-179.8	0	0	0	114.3	L244 C256 V265 N294 R295 L300 V301	L244-L297 HydrophobicContact CD2-CD2 4.05Å; C256-L297 HydrophobicContact CB-CB 4.02Å; C256-L297 VanDerWaalsContact SG-C 3.6Å; V265-L297 HydrophobicContact CB-CD1 4.14Å; V265-L297 HydrophobicContact CG1-CD1 3.64Å; V265-L297 HydrophobicContact CG2-CD1 3.66Å; N294-L297 HydrophobicContact CB-CB 4.43Å; N294-L297 VanDerWaalsContact ND2-CD1 3.32Å; N294-L297 WeakPolarHBondContact ND2-CD1 3.23Å; N294-L297 PolarHBondContact O-N 3.05Å; N294-L297 PolarHBondContact OD1-N 3.19Å; R295-L297 PolarHBondContact O-N 3.13Å; L297-L300 HydrophobicContact CD2-CD1 4.15Å; L297-V301 WeakPolarHBondContact O-CG2 3.5Å; L297-V301 PolarHBondContact O-N 2.83Å; L297-V301 VanDerWaalsContact O-N 3.11Å
298	N	91.6	Very high	90.1	Very high	28 Å²	28	72 Å²	72	15%	0.15	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-50.5	165.6	-70.3	-28.4	0	0	0	110	C256 N294 R295 L300 V301 E302	C256-N298 VanDerWaalsContact CB-OD1 3.27Å; C256-N298 WeakPolarHBondContact CB-OD1 3.28Å; C256-N298 PolarHBondContact N-OD1 3.17Å; C256-N298 PolarHBondContact SG-OD1 3.24Å; N294-N298 PolarHBondContact O-N 3.15Å; R295-N298 CarbonylContact O-C 3.55Å; R295-N298 WeakPolarHBondContact O-CA 3.24Å; R295-N298 WeakPolarHBondContact O-CB 3.34Å; R295-N298 PolarHBondContact O-N 3.15Å; N298-L300 PolarHBondContact O-N 2.87Å; N298-V301 CarbonylContact O-C 3.59Å; N298-V301 PolarHBondContact O-N 2.85Å; N298-E302 PolarHBondContact O-N 3.14Å
299	D	92.9	Very high	90.2	Very high	91 Å²	91	74.5 Å²	74.5	49%	0.487	37%	0.368	S	S	.	.	H	α-helix	trans	-56.1	-39.4	-178.7	-45.8	-28.3	0	0	0	110.9	R295 I296 A303	R295-D299 VanDerWaalsContact C-CG 3.49Å; R295-D299 PolarHBondContact O-N 2.82Å; R295-D299 VanDerWaalsContact O-OD1 3.09Å; I296-D299 WeakPolarHBondContact CA-OD2 3.5Å; I296-D299 PolarHBondContact N-OD2 2.99Å; D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 3.49Å
300	L	93.1	Very high	90.4	Very high	81 Å²	81	75.3 Å²	75.3	42%	0.424	37%	0.372	S	S	.	.	H	α-helix	trans	-72.2	-34.9	175	-74.9	168.8	0	0	0	113.9	L244 I296 L297 N298 Y304	L244-L300 HydrophobicContact CD2-CB 4.36Å; I296-L300 HydrophobicContact CG2-CD1 4.09Å; I296-L300 WeakPolarHBondContact O-CB 3.3Å; I296-L300 WeakPolarHBondContact O-CD1 3.47Å; I296-L300 VanDerWaalsContact O-CG 3.22Å; I296-L300 WeakPolarHBondContact O-CG 3.3Å; I296-L300 PolarHBondContact O-N 2.93Å; L297-L300 HydrophobicContact CD2-CD1 4.15Å; N298-L300 PolarHBondContact O-N 2.87Å; L300-Y304 WeakPolarHBondContact O-CB 3.24Å; L300-Y304 PolarHBondContact O-N 3.49Å
301	V	92.3	Very high	90.4	Very high	9 Å²	9	74 Å²	74	6%	0.055	37%	0.369	C	S	.	.	H	α-helix	trans	-69.7	-40.9	172.4	170.7	0	0	0	0	110.9	L244 L253 L297 N298 Y304 L305	L244-V301 HydrophobicContact CB-CG2 4.17Å; L244-V301 HydrophobicContact CD1-CG2 4.18Å; L244-V301 HydrophobicContact CD2-CG2 4.11Å; L244-V301 HydrophobicContact CG-CG2 4.38Å; L253-V301 HydrophobicContact CB-CG2 4.3Å; L297-V301 WeakPolarHBondContact O-CG2 3.5Å; L297-V301 PolarHBondContact O-N 2.83Å; L297-V301 VanDerWaalsContact O-N 3.11Å; N298-V301 CarbonylContact O-C 3.59Å; N298-V301 PolarHBondContact O-N 2.85Å; V301-Y304 WeakPolarHBondContact O-CA 3.49Å; V301-Y304 WeakPolarHBondContact O-CB 3.29Å; V301-Y304 PolarHBondContact O-N 3.31Å; V301-Y304 VanDerWaalsContact O-N 3.11Å; V301-L305 HydrophobicContact CG1-CD1 3.84Å; V301-L305 HydrophobicContact CG1-CG 4.16Å; V301-L305 WeakPolarHBondContact O-CG 3.46Å; V301-L305 PolarHBondContact O-N 3.19Å
302	E	91.4	Very high	90.1	Very high	123 Å²	123	76.8 Å²	76.8	58%	0.575	39%	0.389	S	S	*	.	H	α-helix	trans	-61.9	-46.2	175.3	-71.3	178.5	-160.7	0	0	110.8	N298 Y304 L305 I306	N298-E302 PolarHBondContact O-N 3.14Å; E302-Y304 PolarHBondContact O-N 3.14Å; E302-L305 PolarHBondContact O-N 3.31Å; E302-I306 WeakPolarHBondContact O-CG1 3.33Å; E302-I306 PolarHBondContact O-N 3.19Å
303	A	91.7	Very high	90.1	Very high	43 Å²	43	76.9 Å²	76.9	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-61.1	-29.7	172.6	0	0	0	0	0	113.4	D299 Q307	D299-A303 WeakPolarHBondContact O-CB 3.49Å; D299-A303 PolarHBondContact O-N 3.49Å; A303-Q307 PolarHBondContact O-NE2 3.23Å
304	Y	92.1	Very high	90.1	Very high	2 Å²	2	74.3 Å²	74.3	1%	0.008	38%	0.379	C	S	.	.	H	α-helix	trans	-73.3	-45.2	173.6	-167.1	-112.9	0	0	0	112.3	D238 M240 E241 L244 L252 L300 V301 E302 I306 Q307 H308 K311	D238-Y304 WeakPolarHBondContact CB-OH 3.46Å; D238-Y304 WeakPolarHBondContact OD2-CE2 3.44Å; D238-Y304 PolarHBondContact OD2-OH 2.75Å; M240-Y304 HydrophobicContact CB-CE2 4.29Å; M240-Y304 HydrophobicContact CE-CD2 3.93Å; M240-Y304 HydrophobicContact CE-CE2 4.19Å; M240-Y304 HydrophobicContact CG-CD2 4.13Å; M240-Y304 HydrophobicContact CG-CE2 4.37Å; E241-Y304 HydrophobicContact CB-CE1 4.09Å; L244-Y304 HydrophobicContact CD1-CG 4.37Å; L252-Y304 HydrophobicContact CD1-CD1 3.99Å; L252-Y304 HydrophobicContact CD1-CE1 4.29Å; L252-Y304 HydrophobicContact CD2-CD1 4.14Å; L252-Y304 HydrophobicContact CD2-CE1 4.34Å; L300-Y304 WeakPolarHBondContact O-CB 3.24Å; L300-Y304 PolarHBondContact O-N 3.49Å; V301-Y304 WeakPolarHBondContact O-CA 3.49Å; V301-Y304 WeakPolarHBondContact O-CB 3.29Å; V301-Y304 PolarHBondContact O-N 3.31Å; V301-Y304 VanDerWaalsContact O-N 3.11Å; E302-Y304 PolarHBondContact O-N 3.14Å; Y304-I306 VanDerWaalsContact C-N 3.3Å; Y304-I306 PolarHBondContact O-N 3.15Å; Y304-Q307 CarbonylContact O-C 3.57Å; Y304-Q307 WeakPolarHBondContact O-CA 3.35Å; Y304-Q307 PolarHBondContact O-N 3.02Å; Y304-H308 HydrophobicContact CE1-CB 4.32Å; Y304-H308 AromaticContact CE2-CD2 3.48Å; Y304-H308 VanDerWaalsContact CE2-CD2 3.48Å; Y304-H308 WeakPolarHBondContact CE2-CD2 3.24Å; Y304-H308 AromaticContact CZ-CD2 3.49Å; Y304-H308 VanDerWaalsContact CZ-CD2 3.49Å; Y304-H308 PolarHBondContact O-N 2.8Å; Y304-K311 HydrophobicContact CE1-CD 3.82Å; Y304-K311 PolarHBondContact OH-NZ 3.37Å
305	L	91.2	Very high	90.1	Very high	51 Å²	51	78.4 Å²	78.4	27%	0.267	40%	0.397	S	S	.	.	H	α-helix	trans	-67.4	-27.7	179.9	-70.3	175	0	0	0	113.1	L252 V301 E302 Q307 H308 P309 K311	L252-L305 HydrophobicContact CD1-CD2 3.81Å; V301-L305 HydrophobicContact CG1-CD1 3.84Å; V301-L305 HydrophobicContact CG1-CG 4.16Å; V301-L305 WeakPolarHBondContact O-CG 3.46Å; V301-L305 PolarHBondContact O-N 3.19Å; E302-L305 PolarHBondContact O-N 3.31Å; L305-Q307 VanDerWaalsContact C-N 3.28Å; L305-Q307 PolarHBondContact O-N 2.94Å; L305-H308 CarbonylContact O-C 3.26Å; L305-H308 VanDerWaalsContact O-C 3.26Å; L305-H308 PolarHBondContact O-N 3.32Å; L305-P309 WeakPolarHBondContact O-CA 3.45Å; L305-P309 VanDerWaalsContact O-N 3.14Å; L305-K311 HydrophobicContact CD2-CB 4.44Å
306	I	90.8	Very high	90.1	Very high	141 Å²	141	75 Å²	75	72%	0.723	39%	0.389	S	S	*	.	H	α-helix	trans	-63.8	-34.2	169.6	-70.8	165.4	0	0	0	111.5	E302 Y304	E302-I306 WeakPolarHBondContact O-CG1 3.33Å; E302-I306 PolarHBondContact O-N 3.19Å; Y304-I306 VanDerWaalsContact C-N 3.3Å; Y304-I306 PolarHBondContact O-N 3.15Å
307	Q	88.5	Confident	90	Very high	127 Å²	127	73.5 Å²	73.5	59%	0.593	38%	0.383	S	S	*	.	H	α-helix	trans	-85.8	-27.2	177.4	-69.5	168.8	88.5	0	0	112.6	A303 Y304 L305	A303-Q307 PolarHBondContact O-NE2 3.23Å; Y304-Q307 CarbonylContact O-C 3.57Å; Y304-Q307 WeakPolarHBondContact O-CA 3.35Å; Y304-Q307 PolarHBondContact O-N 3.02Å; L305-Q307 VanDerWaalsContact C-N 3.28Å; L305-Q307 PolarHBondContact O-N 2.94Å
308	H	89.8	Confident	89.9	Confident	52 Å²	52	74.4 Å²	74.4	24%	0.241	39%	0.387	C	S	.	.			trans	-129.4	68.6	-179	-70.1	-73.9	0	0	0	113.2	Y304 L305 E310 K311	Y304-H308 HydrophobicContact CE1-CB 4.32Å; Y304-H308 AromaticContact CE2-CD2 3.48Å; Y304-H308 VanDerWaalsContact CE2-CD2 3.48Å; Y304-H308 WeakPolarHBondContact CE2-CD2 3.24Å; Y304-H308 AromaticContact CZ-CD2 3.49Å; Y304-H308 VanDerWaalsContact CZ-CD2 3.49Å; Y304-H308 PolarHBondContact O-N 2.8Å; L305-H308 CarbonylContact O-C 3.26Å; L305-H308 VanDerWaalsContact O-C 3.26Å; L305-H308 PolarHBondContact O-N 3.32Å; H308-E310 VanDerWaalsContact CA-OE2 3.27Å; H308-E310 WeakPolarHBondContact CA-OE2 3.44Å; H308-E310 IonicContact CE1-OE1 2.77Å; H308-E310 IonicContact CG-OE1 3.63Å; H308-E310 IonicContact ND1-OE1 3.45Å; H308-E310 PolarHBondContact ND1-OE1 3.25Å; H308-E310 PolarHBondContact O-N 3.17Å; H308-K311 HydrophobicContact CB-CB 4.31Å; H308-K311 HydrophobicContact CB-CD 3.87Å; H308-K311 HydrophobicContact CB-CG 4.04Å; H308-K311 PolarHBondContact O-N 3.06Å
309	P	88.3	Confident	89.8	Confident	80 Å²	80	78.1 Å²	78.1	52%	0.519	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-59.9	-27.3	179.1	-23.3	34.9	0	0	0	113.4	L305 K311 S312	L305-P309 WeakPolarHBondContact O-CA 3.45Å; L305-P309 VanDerWaalsContact O-N 3.14Å; P309-K311 PolarHBondContact O-N 3.18Å; P309-S312 WeakPolarHBondContact O-CB 3.18Å; P309-S312 PolarHBondContact O-N 2.93Å; P309-S312 VanDerWaalsContact O-N 3.11Å; P309-S312 PolarHBondContact O-OG 2.94Å
310	E	86.4	Confident	89.8	Confident	136 Å²	136	76 Å²	76	64%	0.636	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-65.3	-12.6	176.2	77.3	-73.2	177.7	0	0	114	H308	H308-E310 VanDerWaalsContact CA-OE2 3.27Å; H308-E310 WeakPolarHBondContact CA-OE2 3.44Å; H308-E310 IonicContact CE1-OE1 2.77Å; H308-E310 IonicContact CG-OE1 3.63Å; H308-E310 IonicContact ND1-OE1 3.45Å; H308-E310 PolarHBondContact ND1-OE1 3.25Å; H308-E310 PolarHBondContact O-N 3.17Å
311	K	85.5	Confident	89.7	Confident	53 Å²	53	73.3 Å²	73.3	23%	0.23	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-103.1	4.1	176.4	-57.3	-175.6	-178.7	-167.3	0	113.4	E241 L252 Y304 L305 H308 P309	E241-K311 WeakPolarHBondContact OE1-CD 3.4Å; E241-K311 WeakPolarHBondContact OE1-CE 3.34Å; E241-K311 IonicContact OE1-NZ 2.86Å; E241-K311 PolarHBondContact OE1-NZ 3.41Å; E241-K311 IonicContact OE2-NZ 2.78Å; E241-K311 PolarHBondContact OE2-NZ 3.14Å; L252-K311 HydrophobicContact CD1-CB 4.18Å; Y304-K311 HydrophobicContact CE1-CD 3.82Å; Y304-K311 PolarHBondContact OH-NZ 3.37Å; L305-K311 HydrophobicContact CD2-CB 4.44Å; H308-K311 HydrophobicContact CB-CB 4.31Å; H308-K311 HydrophobicContact CB-CD 3.87Å; H308-K311 HydrophobicContact CB-CG 4.04Å; H308-K311 PolarHBondContact O-N 3.06Å; P309-K311 PolarHBondContact O-N 3.18Å
312	S	85.4	Confident	89.6	Confident	71 Å²	71	77 Å²	77	50%	0.497	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-67.8	146.6	173.4	69.2	0	0	0	0	111.6	P309	P309-S312 WeakPolarHBondContact O-CB 3.18Å; P309-S312 PolarHBondContact O-N 2.93Å; P309-S312 VanDerWaalsContact O-N 3.11Å; P309-S312 PolarHBondContact O-OG 2.94Å
313	R	88.8	Confident	89.6	Confident	41 Å²	41	75.6 Å²	75.6	16%	0.155	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-73.7	157.7	172.2	-72.7	-170.6	176.6	97.3	-1.9	111.2	D251 L252 D317 L318	D251-R313 IonicContact OD1-CZ 2.79Å; D251-R313 IonicContact OD1-NH2 2.64Å; D251-R313 IonicContact OD2-CZ 3.65Å; D251-R313 IonicContact OD2-NE 3.92Å; D251-R313 PolarHBondContact OD2-NE 3.35Å; D251-R313 IonicContact OD2-NH2 2.64Å; D251-R313 PolarHBondContact OD2-NH2 3.21Å; L252-R313 PolarHBondContact O-NH1 3.23Å; L252-R313 PolarHBondContact O-NH2 3.38Å; R313-D317 HydrophobicContact CB-CB 4.42Å; R313-L318 HydrophobicContact CB-CD1 4.38Å; R313-L318 HydrophobicContact CB-CD2 4Å; R313-L318 HydrophobicContact CB-CG 3.88Å; R313-L318 HydrophobicContact CG-CD2 4.49Å
314	S	90.2	Very high	89.4	Confident	47 Å²	47	78.7 Å²	78.7	33%	0.329	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.9	150.8	167.1	76.6	0	0	0	0	111	E316 D317 L318	S314-E316 PolarHBondContact O-N 3.25Å; S314-D317 PolarHBondContact O-N 3.35Å; S314-D317 WeakPolarHBondContact OG-CB 3.45Å; S314-D317 PolarHBondContact OG-N 3.31Å; S314-D317 PolarHBondContact OG-OD2 2.96Å; S314-L318 WeakPolarHBondContact O-CG 3.39Å; S314-L318 PolarHBondContact O-N 3.14Å; S314-L318 VanDerWaalsContact O-N 3.11Å
315	E	88.5	Confident	89.3	Confident	122 Å²	122	80.6 Å²	80.6	57%	0.57	42%	0.421	S	S	*	.	H	α-helix	trans	-65	-31	177.7	-148.8	-162.4	143.5	0	0	110.5	K319	E315-K319 WeakPolarHBondContact O-CB 3.42Å; E315-K319 WeakPolarHBondContact O-CD 3.32Å; E315-K319 WeakPolarHBondContact O-CG 3.26Å; E315-K319 PolarHBondContact O-N 3.36Å; E315-K319 WeakPolarHBondContact OE1-CE 3.24Å; E315-K319 IonicContact OE1-NZ 3.06Å; E315-K319 PolarHBondContact OE1-NZ 3.47Å; E315-K319 IonicContact OE2-NZ 3.94Å; E315-K319 PolarHBondContact OE2-NZ 2.9Å
316	E	89.8	Confident	89.1	Confident	125 Å²	125	84 Å²	84	58%	0.584	43%	0.433	S	S	*	.	H	α-helix	trans	-62	-46.9	173.3	-66.9	64.4	-143.1	0	0	111.9	S314 K319 S320	S314-E316 PolarHBondContact O-N 3.25Å; E316-K319 PolarHBondContact O-N 3.04Å; E316-S320 VanDerWaalsContact O-CB 3.26Å; E316-S320 WeakPolarHBondContact O-CB 3.48Å; E316-S320 PolarHBondContact O-N 2.59Å
317	D	90	Very high	88.9	Confident	86 Å²	86	78 Å²	78	46%	0.46	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-40.6	177.8	-71.5	-51.1	0	0	0	111.3	R313 S314 S320 M321	R313-D317 HydrophobicContact CB-CB 4.42Å; S314-D317 PolarHBondContact O-N 3.35Å; S314-D317 WeakPolarHBondContact OG-CB 3.45Å; S314-D317 PolarHBondContact OG-N 3.31Å; S314-D317 PolarHBondContact OG-OD2 2.96Å; D317-S320 WeakPolarHBondContact O-CB 3.49Å; D317-S320 PolarHBondContact O-N 2.64Å; D317-M321 WeakPolarHBondContact O-CB 3.42Å; D317-M321 WeakPolarHBondContact O-CG 3.42Å; D317-M321 PolarHBondContact O-N 2.83Å
318	L	89.6	Confident	88.5	Confident	53 Å²	53	75.3 Å²	75.3	28%	0.277	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-44	175.9	-67.1	171.7	0	0	0	111.6	R313 S314 S320 M321 N322	R313-L318 HydrophobicContact CB-CD1 4.38Å; R313-L318 HydrophobicContact CB-CD2 4Å; R313-L318 HydrophobicContact CB-CG 3.88Å; R313-L318 HydrophobicContact CG-CD2 4.49Å; S314-L318 WeakPolarHBondContact O-CG 3.39Å; S314-L318 PolarHBondContact O-N 3.14Å; S314-L318 VanDerWaalsContact O-N 3.11Å; L318-S320 VanDerWaalsContact C-N 3.34Å; L318-M321 PolarHBondContact O-N 3.11Å; L318-N322 WeakPolarHBondContact O-CB 3.27Å; L318-N322 PolarHBondContact O-N 2.88Å; L318-N322 PolarHBondContact O-ND2 3.22Å
319	K	90.1	Very high	87.5	Confident	107 Å²	107	79.8 Å²	79.8	47%	0.465	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-41.4	172.4	-72	162.1	-173.3	162.3	0	111.6	E315 E316 N322 S323	E315-K319 WeakPolarHBondContact O-CB 3.42Å; E315-K319 WeakPolarHBondContact O-CD 3.32Å; E315-K319 WeakPolarHBondContact O-CG 3.26Å; E315-K319 PolarHBondContact O-N 3.36Å; E315-K319 WeakPolarHBondContact OE1-CE 3.24Å; E315-K319 IonicContact OE1-NZ 3.06Å; E315-K319 PolarHBondContact OE1-NZ 3.47Å; E315-K319 IonicContact OE2-NZ 3.94Å; E315-K319 PolarHBondContact OE2-NZ 2.9Å; E316-K319 PolarHBondContact O-N 3.04Å; K319-N322 PolarHBondContact O-N 3.24Å; K319-S323 PolarHBondContact O-N 3.4Å; K319-S323 PolarHBondContact O-OG 3.27Å
320	S	93	Very high	86.3	Confident	47 Å²	47	80.7 Å²	80.7	33%	0.329	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-50.2	176.9	-173.8	0	0	0	0	111.5	E316 D317 L318 N322 S323 Q324	E316-S320 VanDerWaalsContact O-CB 3.26Å; E316-S320 WeakPolarHBondContact O-CB 3.48Å; E316-S320 PolarHBondContact O-N 2.59Å; D317-S320 WeakPolarHBondContact O-CB 3.49Å; D317-S320 PolarHBondContact O-N 2.64Å; L318-S320 VanDerWaalsContact C-N 3.34Å; S320-N322 PolarHBondContact O-N 3.03Å; S320-S323 PolarHBondContact O-N 3.18Å; S320-S323 PolarHBondContact O-OG 3.4Å; S320-Q324 WeakPolarHBondContact O-CG 3.39Å; S320-Q324 PolarHBondContact O-N 3.02Å; S320-Q324 PolarHBondContact OG-NE2 2.95Å
321	M	91.3	Very high	85.5	Confident	23 Å²	23	77.2 Å²	77.2	11%	0.113	40%	0.401	C	S	.	.	H	α-helix	trans	-59.7	-44.7	175.7	-71.3	-177.7	75.5	0	0	111.7	H254 C267 A269 D317 L318 S323 Q324 N325	H254-M321 HydrophobicContact CB-CE 4.13Å; H254-M321 HydrophobicContact CB-SD 4.5Å; C267-M321 HydrophobicContact CB-CE 3.62Å; A269-M321 HydrophobicContact CB-CB 3.99Å; A269-M321 HydrophobicContact CB-CE 4.34Å; A269-M321 HydrophobicContact CB-CG 4.43Å; A269-M321 VanDerWaalsContact CB-O 3.23Å; A269-M321 WeakPolarHBondContact CB-O 3.07Å; D317-M321 WeakPolarHBondContact O-CB 3.42Å; D317-M321 WeakPolarHBondContact O-CG 3.42Å; D317-M321 PolarHBondContact O-N 2.83Å; L318-M321 PolarHBondContact O-N 3.11Å; M321-S323 VanDerWaalsContact C-N 3.34Å; M321-S323 PolarHBondContact O-N 3.06Å; M321-Q324 PolarHBondContact O-N 3.02Å; M321-N325 PolarHBondContact O-N 3.06Å; M321-N325 VanDerWaalsContact O-N 3.09Å
322	N	90.1	Very high	84.9	Confident	86 Å²	86	76.2 Å²	76.2	46%	0.46	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-39.5	178.2	-71.3	-13.9	0	0	0	112.2	H254 L318 K319 S320 Q324 N325	H254-N322 PolarHBondContact NE2-OD1 3.47Å; L318-N322 WeakPolarHBondContact O-CB 3.27Å; L318-N322 PolarHBondContact O-N 2.88Å; L318-N322 PolarHBondContact O-ND2 3.22Å; K319-N322 PolarHBondContact O-N 3.24Å; S320-N322 PolarHBondContact O-N 3.03Å; N322-Q324 VanDerWaalsContact C-N 3.35Å; N322-N325 WeakPolarHBondContact O-CB 3.2Å; N322-N325 PolarHBondContact O-N 3.3Å
323	S	90.9	Very high	83.5	Confident	95 Å²	95	78.8 Å²	78.8	66%	0.664	40%	0.402	S	S	*	.	H	α-helix	trans	-73.8	-22.8	176.4	69.1	0	0	0	0	114.1	K319 S320 M321	K319-S323 PolarHBondContact O-N 3.4Å; K319-S323 PolarHBondContact O-OG 3.27Å; S320-S323 PolarHBondContact O-N 3.18Å; S320-S323 PolarHBondContact O-OG 3.4Å; M321-S323 VanDerWaalsContact C-N 3.34Å; M321-S323 PolarHBondContact O-N 3.06Å
324	Q	87.8	Confident	81.6	Confident	108 Å²	108	80.9 Å²	80.9	51%	0.505	42%	0.421	S	S	.	.	H	α-helix	trans	-85.3	-10.1	174	-69.3	177.5	40.5	0	0	113.7	A269 S320 M321 N322 K326	A269-Q324 HydrophobicContact CB-CB 4.37Å; S320-Q324 WeakPolarHBondContact O-CG 3.39Å; S320-Q324 PolarHBondContact O-N 3.02Å; S320-Q324 PolarHBondContact OG-NE2 2.95Å; M321-Q324 PolarHBondContact O-N 3.02Å; N322-Q324 VanDerWaalsContact C-N 3.35Å; Q324-K326 PolarHBondContact O-N 2.85Å
325	N	90.3	Very high	79	Confident	41 Å²	41	87.1 Å²	87.1	22%	0.219	44%	0.442	C	S	.	.			trans	-71.7	121.8	177	-170.2	2.4	0	0	0	110.7	D255 A268 S272 M321 N322 I327	D255-N325 PolarHBondContact OD2-ND2 3.41Å; D255-N325 VanDerWaalsContact OD2-ND2 3.12Å; A268-N325 VanDerWaalsContact CB-ND2 3.29Å; A268-N325 WeakPolarHBondContact CB-ND2 3.49Å; S272-N325 PolarHBondContact OG-OD1 2.89Å; M321-N325 PolarHBondContact O-N 3.06Å; M321-N325 VanDerWaalsContact O-N 3.09Å; N322-N325 WeakPolarHBondContact O-CB 3.2Å; N322-N325 PolarHBondContact O-N 3.3Å; N325-I327 PolarHBondContact OD1-N 3.45Å; N325-I327 VanDerWaalsContact OD1-N 3.15Å
326	K	87.1	Confident	77	Confident	122 Å²	122	87.5 Å²	87.5	53%	0.53	45%	0.453	S	S	.	.			trans	-114.3	6.8	-179.1	-58.6	-178.5	-173.1	-179.8	0	112.7	S272 E276 Q324 T328	S272-K326 PolarHBondContact OG-N 3.14Å; E276-K326 IonicContact OE1-NZ 3.7Å; E276-K326 PolarHBondContact OE1-NZ 2.81Å; Q324-K326 PolarHBondContact O-N 2.85Å; K326-T328 PolarHBondContact O-N 3.16Å
327	I	86.8	Confident	74.4	Confident	16 Å²	16	89.5 Å²	89.5	8%	0.082	46%	0.462	C	S	.	.			trans	-83.6	97.8	178.8	-63.7	160.1	0	0	0	108.1	I257 A268 Y271 M275 I291 N325 M331 L332	I257-I327 HydrophobicContact CD1-CD1 3.57Å; A268-I327 HydrophobicContact CB-CD1 4.15Å; A268-I327 WeakPolarHBondContact O-CD1 3.41Å; Y271-I327 HydrophobicContact CD1-CD1 4.11Å; M275-I327 HydrophobicContact CE-CG1 4.03Å; I291-I327 HydrophobicContact CD1-CG1 4.43Å; I291-I327 HydrophobicContact CD1-CG2 4.46Å; I291-I327 HydrophobicContact CG2-CD1 4.45Å; I291-I327 HydrophobicContact CG2-CG2 4.25Å; N325-I327 PolarHBondContact OD1-N 3.45Å; N325-I327 VanDerWaalsContact OD1-N 3.15Å; I327-M331 HydrophobicContact CG2-CB 4.32Å; I327-L332 HydrophobicContact CG2-CD1 4.32Å; I327-L332 HydrophobicContact CG2-CD2 3.69Å; I327-L332 HydrophobicContact CG2-CG 3.81Å
328	T	79.6	Confident	71.7	Confident	71 Å²	71	94 Å²	94	44%	0.436	47%	0.472	S	S	.	.			trans	-77.7	161.8	-180	50.7	0	0	0	0	111.8	K326 D330 M331 L332	K326-T328 PolarHBondContact O-N 3.16Å; T328-D330 VanDerWaalsContact C-N 3.27Å; T328-D330 WeakPolarHBondContact CB-OD1 3.39Å; T328-D330 PolarHBondContact O-N 2.99Å; T328-D330 PolarHBondContact OG1-OD1 3.49Å; T328-M331 WeakPolarHBondContact O-CB 3.17Å; T328-M331 PolarHBondContact O-N 3.25Å; T328-M331 WeakPolarHBondContact OG1-CG 3.21Å; T328-L332 PolarHBondContact O-N 3.5Å
329	Q	67.3	Low	68.9	Low	145 Å²	145	97 Å²	97	68%	0.678	50%	0.498	S	S	*	.	H	α-helix	trans	-64	-29.6	-171.6	-172.6	170.1	-14.6	0	0	113.4	M331 L332 Q333	Q329-M331 VanDerWaalsContact C-N 3.28Å; Q329-M331 PolarHBondContact O-N 3.33Å; Q329-L332 PolarHBondContact O-N 3.14Å; Q329-Q333 PolarHBondContact O-N 3.37Å
330	D	63.4	Low	66	Low	99 Å²	99	99.3 Å²	99.3	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-21.9	172.8	64.4	-52.1	0	0	0	113.7	T328 Q333	T328-D330 VanDerWaalsContact C-N 3.27Å; T328-D330 WeakPolarHBondContact CB-OD1 3.39Å; T328-D330 PolarHBondContact O-N 2.99Å; T328-D330 PolarHBondContact OG1-OD1 3.49Å; D330-Q333 WeakPolarHBondContact CA-O 3.45Å; D330-Q333 CarbonylContact O-C 3.54Å; D330-Q333 VanDerWaalsContact O-C 3.26Å
331	M	70.8	Confident	63.3	Low	64 Å²	64	102.5 Å²	102.5	32%	0.315	53%	0.531	S	S	.	.	H	α-helix	trans	-80.7	-23.2	172.1	-57	179.6	69.3	0	0	112.5	M275 I291 I327 T328 Q329	M275-M331 HydrophobicContact CE-CE 3.7Å; M275-M331 HydrophobicContact SD-CE 3.58Å; M275-M331 VanDerWaalsContact SD-CE 3.58Å; I291-M331 HydrophobicContact CD1-CE 4.22Å; I327-M331 HydrophobicContact CG2-CB 4.32Å; T328-M331 WeakPolarHBondContact O-CB 3.17Å; T328-M331 PolarHBondContact O-N 3.25Å; T328-M331 WeakPolarHBondContact OG1-CG 3.21Å; Q329-M331 VanDerWaalsContact C-N 3.28Å; Q329-M331 PolarHBondContact O-N 3.33Å
332	L	71.3	Confident	60.7	Low	31 Å²	31	109.3 Å²	109.3	16%	0.162	56%	0.563	C	S	.	*	H	α-helix	trans	-88.2	-30.3	174.7	-62.4	170.6	0	0	0	112	I291 K293 I327 T328 Q329	I291-L332 HydrophobicContact CB-CD2 4.35Å; I291-L332 HydrophobicContact CG2-CD2 3.93Å; K293-L332 HydrophobicContact CD-CD1 3.74Å; K293-L332 VanDerWaalsContact CE-CD1 3.41Å; K293-L332 HydrophobicContact CG-CD1 3.87Å; K293-L332 HydrophobicContact CG-CD2 4.13Å; I327-L332 HydrophobicContact CG2-CD1 4.32Å; I327-L332 HydrophobicContact CG2-CD2 3.69Å; I327-L332 HydrophobicContact CG2-CG 3.81Å; T328-L332 PolarHBondContact O-N 3.5Å; Q329-L332 PolarHBondContact O-N 3.14Å
333	Q	57.3	Low	58.6	Low	126 Å²	126	114.2 Å²	114.2	59%	0.589	58%	0.582	S	S	*	*	S	Bend	trans	-133.7	90.8	177	-68.7	178.8	-32	0	0	108.7	Q329 D330 K335	Q329-Q333 PolarHBondContact O-N 3.37Å; D330-Q333 WeakPolarHBondContact CA-O 3.45Å; D330-Q333 CarbonylContact O-C 3.54Å; D330-Q333 VanDerWaalsContact O-C 3.26Å; Q333-K335 PolarHBondContact O-N 3.35Å; Q333-K335 VanDerWaalsContact O-N 3.15Å
334	P	48.4	Very low	56.4	Low	84 Å²	84	119.1 Å²	119.1	55%	0.545	60%	0.595	S	S	.	*			trans	-53.1	124.5	167.5	-22.7	33.2	0	0	0	108.3	V336	P334-V336 PolarHBondContact O-N 3.06Å
335	K	36.6	Very low	53.8	Low	178 Å²	178	117.3 Å²	117.3	77%	0.774	61%	0.605	S	S	*	*			trans	-56.5	104.2	-175.1	-84.4	-170.7	170.3	-169.7	0	110.7	Q333 E337	Q333-K335 PolarHBondContact O-N 3.35Å; Q333-K335 VanDerWaalsContact O-N 3.15Å; K335-E337 PolarHBondContact O-N 2.93Å
336	V	45.9	Very low	51.1	Low	130 Å²	130	120.9 Å²	120.9	79%	0.788	63%	0.633	S	S	*	*			trans	-75.3	106	155.2	179	0	0	0	0	105.2	P334 R338	P334-V336 PolarHBondContact O-N 3.06Å; V336-R338 PolarHBondContact O-N 3.46Å
337	E	33.9	Very low	48.7	Very low	168 Å²	168	119.6 Å²	119.6	79%	0.785	64%	0.64	S	S	*	*			trans	-70.5	85	173.3	-71.3	-173.8	145.2	0	0	108.9	K335 S339	K335-E337 PolarHBondContact O-N 2.93Å; E337-S339 PolarHBondContact O-N 3.26Å
338	R	35.1	Very low	46.4	Very low	179 Å²	179	126 Å²	126	68%	0.675	67%	0.674	S	S	*	*			trans	-69.3	88.3	165.2	-125.7	179.4	171.7	153.3	-5.4	106.9	V336 F340	V336-R338 PolarHBondContact O-N 3.46Å; R338-F340 PolarHBondContact O-N 3.23Å
339	S	30.1	Very low	44.1	Very low	117 Å²	117	134 Å²	134	82%	0.818	70%	0.698	S	S	*	*			trans	-66.9	83.2	168.3	55.4	0	0	0	0	109	E337 S341	E337-S339 PolarHBondContact O-N 3.26Å; S339-S341 PolarHBondContact O-N 2.79Å
340	F	28.1	Very low	43.3	Very low	156 Å²	156	134.2 Å²	134.2	68%	0.684	70%	0.703	S	S	*	*			trans	-65.2	125.1	162.7	-105.2	-105.6	0	0	0	107.9	R338	R338-F340 PolarHBondContact O-N 3.23Å
341	S	37.8	Very low	41.9	Very low	114 Å²	114	137.5 Å²	137.5	80%	0.797	71%	0.713	S	S	*	*			trans	-89.3	105.3	172.8	52.9	0	0	0	0	108.9	S339	S339-S341 PolarHBondContact O-N 2.79Å
342	E	36.9	Very low	40.5	Very low	166 Å²	166	142.6 Å²	142.6	78%	0.776	74%	0.736	S	S	*	*			trans	-121.8	93	173.9	-70.9	-174	169.2	0	0	110
343	E	45.1	Very low	39.4	Very low	188 Å²	188	149.1 Å²	149.1	88%	0.879	77%	0.77	S	S	*	*			trans	-136.4	125.7	165.5	-57	-177	-118.7	0	0	103.7
344	E	44.1	Very low	38.4	Very low	199 Å²	199	148.6 Å²	148.6	93%	0.93	78%	0.781	S	S	*	*			cis	-130.1	171.6	9.7	-56.9	165	103.8	0	0	108.8
345	G	34.1	Very low	38.6	Very low	70 Å²	70	152.6 Å²	152.6	72%	0.722	80%	0.797	S	S	*	*			cis	157.1	-175.5	0.1	0	0	0	0	0	111.5
346	S	33.8	Very low	39.2	Very low	115 Å²	115	151.3 Å²	151.3	80%	0.804	80%	0.799	S	S	*	*			trans	80.4	125	168.2	-161.9	0	0	0	0	121.4
347	S	35.5	Very low	39.2	Very low	95 Å²	95	152.3 Å²	152.3	66%	0.664	80%	0.8	S	S	*	*			trans	63.9	124.7	143.6	55.1	0	0	0	0	121.8
348	D	38.5	Very low	40.1	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	80%	0.801	S	S	*	*			trans	-53.9	138.4	162.7	-44.6	-90.1	0	0	0	112.8
349	Y	33.2	Very low	40.5	Very low	237 Å²	237	148.2 Å²	148.2	93%	0.929	81%	0.806	S	S	*	*			trans	-151.7	167.4	137.4	-88.3	-58.9	0	0	0	110.9
350	L	48.6	Very low	41.1	Very low	151 Å²	151	148.1 Å²	148.1	79%	0.791	81%	0.805	S	S	*	*			trans	-109.7	154.5	-163.1	-171.9	72	0	0	0	111.7
351	F	35.3	Very low	42.2	Very low	168 Å²	168	146.5 Å²	146.5	74%	0.737	81%	0.813	S	S	*	*			trans	92	131	157	-105.2	-71.7	0	0	0	121.8
352	E	40	Very low	42.5	Very low	171 Å²	171	147.3 Å²	147.3	80%	0.799	81%	0.809	S	S	*	*			trans	96.9	158.8	139.9	-138.1	136.2	-96.5	0	0	120.8
353	L	48.3	Very low	42.8	Very low	168 Å²	168	147.1 Å²	147.1	88%	0.88	81%	0.811	S	S	*	*			trans	-112.4	139.3	-159.7	-63.3	164.6	0	0	0	111
354	S	36.1	Very low	42.8	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	79%	0.794	S	S	*	*			trans	-159.8	120.1	154.1	60.7	0	0	0	0	110.8
355	D	53.9	Low	42.9	Very low	167 Å²	167	140.1 Å²	140.1	89%	0.893	79%	0.787	S	S	*	*			trans	-70.4	137.8	166.7	-53.1	-72.4	0	0	0	110.1
356	N	47.9	Very low	43.6	Very low	151 Å²	151	141.5 Å²	141.5	81%	0.807	78%	0.782	S	S	*	*			trans	-156.9	104.9	164.5	-173.8	85.7	0	0	0	111.7
357	D	46.1	Very low	44.9	Very low	152 Å²	152	143.5 Å²	143.5	81%	0.813	78%	0.783	S	S	*	*			trans	-67.7	135.9	172.5	-67.8	-64.1	0	0	0	112.2
358	S	53.4	Low	46.7	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	77%	0.772	S	S	*	*			trans	-179.5	115.8	132.4	-81.3	0	0	0	0	113.6
359	D	44.7	Very low	48.7	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	75%	0.754	S	S	*	*			trans	35.1	115.4	138.1	-163.2	16.6	0	0	0	121.1
360	S	40.8	Very low	51.3	Low	114 Å²	114	128.5 Å²	128.5	80%	0.797	71%	0.71	S	S	*	*				-155.6	139.6	122.9	48.8	0	0	0	0	111.6	D362	S360-D362 PolarHBondContact O-N 3.05Å
361	S	52.3	Low	53.1	Low	122 Å²	122	125.2 Å²	125.2	85%	0.853	69%	0.687	S	S	*	*			trans	-94.4	91	-179.6	-68.7	0	0	0	0	112.3
362	D	44.1	Very low	55.6	Low	132 Å²	132	119.2 Å²	119.2	71%	0.706	66%	0.661	S	S	*	*			trans	-129.1	69.3	166.2	-165.5	1.9	0	0	0	112.5	S360 S364	S360-D362 PolarHBondContact O-N 3.05Å; D362-S364 PolarHBondContact O-N 3.47Å; D362-S364 PolarHBondContact OD1-N 2.97Å
363	I	43.5	Very low	57.9	Low	162 Å²	162	112 Å²	112	83%	0.831	63%	0.629	S	S	*	*			trans	-75.7	83.3	156.6	-58.7	-179.6	0	0	0	107.1	Q365	I363-Q365 PolarHBondContact O-N 3.28Å
364	S	44.6	Very low	59.4	Low	73 Å²	73	108.1 Å²	108.1	51%	0.51	61%	0.614	S	S	.	*			trans	-50.9	107.1	168.2	46.8	0	0	0	0	109.4	D362	D362-S364 PolarHBondContact O-N 3.47Å; D362-S364 PolarHBondContact OD1-N 2.97Å
365	Q	45.3	Very low	60.9	Low	167 Å²	167	105.9 Å²	105.9	78%	0.78	61%	0.609	S	S	*	*			trans	-60	127.9	176.5	-67.4	-175	2.9	0	0	107.7	I363 L367	I363-Q365 PolarHBondContact O-N 3.28Å; Q365-L367 PolarHBondContact O-N 2.84Å
366	P	50.4	Low	61.7	Low	98 Å²	98	101.9 Å²	101.9	64%	0.636	58%	0.582	S	S	*	*			trans	-59.5	116.2	176	24.8	-32.7	0	0	0	107.8	L368	P366-L368 PolarHBondContact O-N 3.43Å
367	L	61.2	Low	62	Low	157 Å²	157	101.2 Å²	101.2	82%	0.822	58%	0.576	S	S	*	*			trans	-61.3	101.8	-172.6	-69.5	171.3	0	0	0	109.5	Q365 M369	Q365-L367 PolarHBondContact O-N 2.84Å; L367-M369 PolarHBondContact O-N 3.24Å
368	L	72.4	Confident	62.3	Low	80 Å²	80	104.1 Å²	104.1	42%	0.419	58%	0.575	S	S	.	*			trans	-74.4	68	-176.7	-76.9	172.1	0	0	0	111	P366 C370 H445 I447	P366-L368 PolarHBondContact O-N 3.43Å; L368-C370 PolarHBondContact O-N 3.31Å; L368-H445 HydrophobicContact CB-CB 4.31Å; L368-H445 VanDerWaalsContact O-CG 3.29Å; L368-H445 PolarHBondContact O-ND1 3Å; L368-I447 HydrophobicContact CD1-CD1 4.24Å; L368-I447 HydrophobicContact CD1-CG1 4.43Å; L368-I447 HydrophobicContact CD2-CD1 4.26Å
369	M	80.6	Confident	61.8	Low	88 Å²	88	101.8 Å²	101.8	43%	0.433	55%	0.554	S	S	.	*			trans	-67	128.6	175.6	-64	-177.2	74.3	0	0	110.5	L367 C373 P454	L367-M369 PolarHBondContact O-N 3.24Å; M369-C373 HydrophobicContact CB-CB 4.27Å; M369-C373 HydrophobicContact CE-CB 4.06Å; M369-P454 WeakPolarHBondContact O-CG 3.5Å
370	C	87.9	Confident	61.4	Low	2 Å²	2	103.2 Å²	103.2	1%	0.014	56%	0.558	C	S	.	*			trans	-107.4	177.7	171	86.7	0	0	0	0	112	L368 Q372 C373 Y376 H445 P454 W485	L368-C370 PolarHBondContact O-N 3.31Å; C370-Q372 PolarHBondContact O-N 2.78Å; C370-C373 PolarHBondContact N-SG 2.85Å; C370-C373 WeakPolarHBondContact O-CB 3.46Å; C370-C373 PolarHBondContact O-N 2.65Å; C370-Y376 WeakPolarHBondContact O-CB 3.5Å; C370-Y376 WeakPolarHBondContact O-CD2 3.36Å; C370-H445 VanDerWaalsContact SG-CD2 3.53Å; C370-H445 PolarHBondContact SG-NE2 3.24Å; C370-P454 HydrophobicContact CB-CB 3.98Å; C370-P454 HydrophobicContact CB-CG 4.06Å; C370-P454 WeakPolarHBondContact CB-O 3.28Å; C370-W485 HydrophobicContact CB-CH2 4Å
371	R	86.6	Confident	61.1	Low	82 Å²	82	101.1 Å²	101.1	31%	0.309	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	-16.2	-175.2	-62.1	167.4	176	-147.3	-12.3	115.4	Y376 W485 Q488	R371-Y376 HydrophobicContact CB-CD1 4.4Å; R371-Y376 HydrophobicContact CB-CE1 4.12Å; R371-Y376 HydrophobicContact CG-CE1 3.96Å; R371-Y376 HydrophobicContact CG-CE2 4.33Å; R371-W485 HydrophobicContact CB-CH2 3.81Å; R371-W485 HydrophobicContact CB-CZ2 4.49Å; R371-W485 HydrophobicContact CB-CZ3 3.86Å; R371-W485 HydrophobicContact CG-CH2 4.12Å; R371-W485 HydrophobicContact CG-CZ2 4.37Å; R371-Q488 VanDerWaalsContact CZ-OE1 3.27Å
372	Q	87.9	Confident	60.3	Low	42 Å²	42	102.5 Å²	102.5	20%	0.196	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	4.7	-179.7	-76.8	175.9	-38.4	0	0	112.4	C370 Y437 C438 C439 P456 Y484 W485	C370-Q372 PolarHBondContact O-N 2.78Å; Q372-Y437 HydrophobicContact CB-CD1 4.4Å; Q372-Y437 VanDerWaalsContact CB-O 3.24Å; Q372-Y437 WeakPolarHBondContact CB-O 3.43Å; Q372-Y437 WeakPolarHBondContact CG-O 3.31Å; Q372-Y437 PolarHBondContact NE2-O 3.22Å; Q372-C438 CarbonylContact O-C 3.59Å; Q372-C438 WeakPolarHBondContact O-CA 3.18Å; Q372-C439 VanDerWaalsContact C-SG 3.6Å; Q372-C439 PolarHBondContact O-N 2.81Å; Q372-P456 HydrophobicContact CB-CG 4.44Å; Q372-Y484 VanDerWaalsContact OE1-CE1 3.28Å; Q372-Y484 PolarHBondContact OE1-OH 3.28Å; Q372-W485 HydrophobicContact CB-CZ3 4.4Å; Q372-W485 HydrophobicContact CG-CE3 4.36Å; Q372-W485 HydrophobicContact CG-CZ3 3.9Å
373	C	87.3	Confident	59.8	Low	19 Å²	19	101 Å²	101	13%	0.128	54%	0.543	C	S	.	.	S	Bend	trans	-71	136.6	172.6	-71.7	0	0	0	0	111.1	M369 C370 G375 Y376 H445	M369-C373 HydrophobicContact CB-CB 4.27Å; M369-C373 HydrophobicContact CE-CB 4.06Å; C370-C373 PolarHBondContact N-SG 2.85Å; C370-C373 WeakPolarHBondContact O-CB 3.46Å; C370-C373 PolarHBondContact O-N 2.65Å; C373-G375 PolarHBondContact O-N 3.24Å; C373-Y376 WeakPolarHBondContact O-CB 3.43Å; C373-Y376 PolarHBondContact O-N 2.93Å; C373-H445 VanDerWaalsContact SG-CE1 3.56Å; C373-H445 PolarHBondContact SG-NE2 2.88Å; C373-H445 VanDerWaalsContact SG-NE2 3.41Å
374	P	79.6	Confident	59.2	Low	87 Å²	87	100.8 Å²	100.8	57%	0.565	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	131.8	162	-25	34.7	0	0	0	110	Y376 C439	P374-Y376 VanDerWaalsContact C-N 3.33Å; P374-C439 WeakPolarHBondContact CD-O 3.14Å
375	G	68.5	Low	58.7	Low	67 Å²	67	107 Å²	107	69%	0.691	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.2	9.1	-174.7	0	0	0	0	0	115.5	C373 M377	C373-G375 PolarHBondContact O-N 3.24Å; G375-M377 PolarHBondContact O-N 3.25Å
376	Y	69.9	Low	58	Low	84 Å²	84	103.4 Å²	103.4	33%	0.329	56%	0.559	S	S	.	*			trans	-65.2	94.7	168.3	-179.9	-97.4	0	0	0	110.6	C370 R371 C373 P374 R378	C370-Y376 WeakPolarHBondContact O-CB 3.5Å; C370-Y376 WeakPolarHBondContact O-CD2 3.36Å; R371-Y376 HydrophobicContact CB-CD1 4.4Å; R371-Y376 HydrophobicContact CB-CE1 4.12Å; R371-Y376 HydrophobicContact CG-CE1 3.96Å; R371-Y376 HydrophobicContact CG-CE2 4.33Å; C373-Y376 WeakPolarHBondContact O-CB 3.43Å; C373-Y376 PolarHBondContact O-N 2.93Å; P374-Y376 VanDerWaalsContact C-N 3.33Å; Y376-R378 PolarHBondContact O-N 3.34Å
377	M	55.8	Low	57	Low	137 Å²	137	104.5 Å²	104.5	68%	0.675	57%	0.569	S	S	*	*			trans	-64.9	123.2	163.8	-69.3	-67.7	-75.3	0	0	108.4	G375 D379	G375-M377 PolarHBondContact O-N 3.25Å; M377-D379 PolarHBondContact O-N 2.89Å
378	R	50.7	Low	55.4	Low	212 Å²	212	103 Å²	103	80%	0.8	57%	0.572	S	S	*	*	S	Bend	trans	-60.6	-26.9	172.7	-170.7	172.2	-68.2	-176.7	0.3	111.2	Y376 M380	Y376-R378 PolarHBondContact O-N 3.34Å; R378-M380 PolarHBondContact O-N 3.49Å
379	D	43.2	Very low	53.6	Low	66 Å²	66	103.4 Å²	103.4	35%	0.353	58%	0.582	S	S	.	*			trans	-90.1	73.5	-177.4	-60.1	-64.1	0	0	0	113	M377 G381 Q382 V383	M377-D379 PolarHBondContact O-N 2.89Å; D379-G381 VanDerWaalsContact C-N 3.28Å; D379-Q382 HydrophobicContact CB-CB 4.3Å; D379-V383 VanDerWaalsContact O-CG2 3.27Å; D379-V383 WeakPolarHBondContact O-CG2 3.32Å
380	M	35.9	Very low	51.2	Low	177 Å²	177	106.4 Å²	106.4	87%	0.872	60%	0.6	S	S	*	*	S	Bend	trans	-99.2	21.2	140.4	-84.4	-71.7	171.8	0	0	111.2	R378	R378-M380 PolarHBondContact O-N 3.49Å
381	G	35.3	Very low	48.4	Very low	70 Å²	70	114.6 Å²	114.6	72%	0.722	63%	0.631	S	S	*	*	S	Bend	trans	-110.3	-3.5	169.7	0	0	0	0	0	114.8	D379	D379-G381 VanDerWaalsContact C-N 3.28Å
382	Q	35.2	Very low	45.6	Very low	150 Å²	150	121.4 Å²	121.4	70%	0.701	66%	0.657	S	S	*	*	S	Bend	trans	-132	0.2	-177.3	-77.9	-169.8	-10.3	0	0	115.7	D379 L384	D379-Q382 HydrophobicContact CB-CB 4.3Å; Q382-L384 PolarHBondContact O-N 2.92Å
383	V	33.5	Very low	42.6	Very low	100 Å²	100	128.7 Å²	128.7	61%	0.606	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	55.7	178.6	-164.4	0	0	0	0	111.7	D379	D379-V383 VanDerWaalsContact O-CG2 3.27Å; D379-V383 WeakPolarHBondContact O-CG2 3.32Å
384	L	32.4	Very low	39.9	Very low	158 Å²	158	134 Å²	134	83%	0.827	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	-1.2	167.6	-80	176.3	0	0	0	113.5	Q382	Q382-L384 PolarHBondContact O-N 2.92Å
385	F	33.4	Very low	37.4	Very low	204 Å²	204	133.7 Å²	133.7	90%	0.895	73%	0.733	S	S	*	*	S	Bend	trans	-141.7	71.3	177.7	-80.3	-76.7	0	0	0	112.6
386	A	30.7	Very low	35.4	Very low	91 Å²	91	138.8 Å²	138.8	75%	0.752	74%	0.743	S	S	*	*			trans	-153.2	37.9	172.1	0	0	0	0	0	115
387	S	28.9	Very low	33.7	Very low	121 Å²	121	140.1 Å²	140.1	85%	0.846	76%	0.763	S	S	*	*			trans	-133.5	77.9	172.8	-73.3	0	0	0	0	112.5
388	S	28	Very low	32.8	Very low	126 Å²	126	140.2 Å²	140.2	88%	0.881	77%	0.771	S	S	*	*			trans	-154.6	109.4	159.7	-76.6	0	0	0	0	107.8
389	S	33.4	Very low	31.8	Very low	89 Å²	89	138 Å²	138	62%	0.622	77%	0.774	S	S	*	*			trans	-75.2	154.5	-175.9	-172.5	0	0	0	0	112
390	N	31.1	Very low	31.3	Very low	151 Å²	151	140 Å²	140	81%	0.807	79%	0.791	S	S	*	*				-169.4	116.6	120	-92.8	-32.7	0	0	0	114.2
391	Y	28.8	Very low	31.2	Very low	173 Å²	173	137.7 Å²	137.7	68%	0.678	79%	0.789	S	S	*	*			trans	17	138.9	145.8	-69.3	-83.6	0	0	0	124.1
392	W	27.9	Very low	31	Very low	226 Å²	226	141.1 Å²	141.1	86%	0.856	80%	0.795	S	S	*	*			trans	69.5	127	157.8	-47.9	-32.5	0	0	0	115.9
393	F	26.2	Very low	30.9	Very low	194 Å²	194	142.4 Å²	142.4	85%	0.851	80%	0.801	S	S	*	*			cis	-149.5	179.2	44.8	-123.5	-90.4	0	0	0	114
394	T	29.8	Very low	30.9	Very low	132 Å²	132	143.1 Å²	143.1	81%	0.81	81%	0.808	S	S	*	*			trans	-88.6	140.4	-178.9	52.2	0	0	0	0	114.9
395	G	26.7	Very low	31	Very low	79 Å²	79	141.4 Å²	141.4	81%	0.814	81%	0.806	S	S	*	*			trans	178.9	139.8	166.2	0	0	0	0	0	115.9
396	L	26.1	Very low	30.9	Very low	174 Å²	174	137.7 Å²	137.7	91%	0.911	80%	0.803	S	S	*	*			trans	-93	172.3	170.5	-101.9	72.9	0	0	0	110.8
397	P	34.8	Very low	30.9	Very low	113 Å²	113	139.8 Å²	139.8	73%	0.734	81%	0.807	S	S	*	*			cis	-129.2	-172.8	-12.5	34.3	-14.4	0	0	0	113.6
398	T	37.3	Very low	31	Very low	138 Å²	138	140.1 Å²	140.1	85%	0.847	81%	0.806	S	S	*	*			trans	-68.8	149.9	174.5	36.3	0	0	0	0	115
399	L	28.7	Very low	31	Very low	167 Å²	167	143.5 Å²	143.5	87%	0.874	81%	0.808	S	S	*	*			trans	-125	143.5	160.9	-83.8	166.8	0	0	0	109.6
400	P	34.3	Very low	30.7	Very low	108 Å²	108	145.5 Å²	145.5	70%	0.701	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.6	155.7	-177.4	33.1	-35.4	0	0	0	112.9
401	P	33.4	Very low	30.4	Very low	128 Å²	128	141.3 Å²	141.3	83%	0.831	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-72.3	146.1	179	30	-35.2	0	0	0	113.1
402	V	30.3	Very low	30.4	Very low	141 Å²	141	142.6 Å²	142.6	86%	0.855	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-77.4	139	179.3	176.4	0	0	0	0	111.1
403	Q	32.5	Very low	30.3	Very low	177 Å²	177	135.7 Å²	135.7	83%	0.827	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.2	143.8	174	-68.9	-179.3	-30.6	0	0	112.2
404	P	35.2	Very low	30.3	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-72.3	159.1	168.4	31.7	-34.5	0	0	0	112
405	P	33.4	Very low	30.2	Very low	121 Å²	121	129.9 Å²	129.9	79%	0.786	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-82.5	153.8	-166.8	32.9	-37.1	0	0	0	114.7
406	P	32.1	Very low	30.3	Very low	127 Å²	127	137.7 Å²	137.7	83%	0.825	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-82.4	151.7	171.9	34.3	-34.8	0	0	0	113
407	T	30.3	Very low	30.9	Very low	135 Å²	135	135 Å²	135	83%	0.828	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-97.1	160.7	166.5	34.8	0	0	0	0	111.5
408	P	31.5	Very low	30.6	Very low	128 Å²	128	134.6 Å²	134.6	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-86.7	168.5	-146.4	33.4	-38.2	0	0	0	116.9
409	E	27.3	Very low	30.1	Very low	196 Å²	196	131.5 Å²	131.5	92%	0.916	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-71.3	162.4	179.8	-54.1	175.1	125.9	0	0	114.5
410	C	26.5	Very low	30.2	Very low	131 Å²	131	133.2 Å²	133.2	89%	0.885	83%	0.828	S	S	*	*			trans	-144.4	146	147.9	-170.1	0	0	0	0	108.7
411	G	26.1	Very low	30	Very low	64 Å²	64	137 Å²	137	66%	0.66	84%	0.837	S	S	*	*			trans	-80.5	-167.4	-179.2	0	0	0	0	0	114.2
412	E	28.3	Very low	30.4	Very low	200 Å²	200	136 Å²	136	94%	0.935	83%	0.831	S	S	*	*			cis	-153	153.1	11.8	-64.9	174.5	70.5	0	0	112.6
413	G	26.2	Very low	30.2	Very low	80 Å²	80	135.4 Å²	135.4	83%	0.825	83%	0.832	S	S	*	*			trans	75.6	157.2	154.4	0	0	0	0	0	119.1
414	A	25.9	Very low	30.3	Very low	100 Å²	100	133.3 Å²	133.3	83%	0.826	83%	0.832	S	S	*	*			cis	-162.2	163.5	-13.9	0	0	0	0	0	112
415	A	26.7	Very low	30.2	Very low	105 Å²	105	132.8 Å²	132.8	87%	0.868	83%	0.831	S	S	*	*			trans	75.7	152.7	162	0	0	0	0	0	121.4
416	R	28.9	Very low	30.2	Very low	243 Å²	243	132.4 Å²	132.4	92%	0.917	83%	0.831	S	S	*	*			trans	-136.4	175.5	176.5	-91.4	-173.1	175.3	-168.7	-0.3	106
417	P	40.1	Very low	30.2	Very low	117 Å²	117	134.3 Å²	134.3	76%	0.76	84%	0.835	S	S	*	*			cis	-153.4	177.6	28.4	45.6	-24.7	0	0	0	120.4
418	A	27.8	Very low	30.3	Very low	104 Å²	104	139 Å²	139	86%	0.86	84%	0.837	S	S	*	*			trans	76.2	140	139.2	0	0	0	0	0	124
419	G	26.7	Very low	30.4	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	84%	0.836	S	S	*	*			trans	96.3	135.6	162.4	0	0	0	0	0	116
420	E	30.3	Very low	30.6	Very low	202 Å²	202	135 Å²	135	94%	0.944	83%	0.831	S	S	*	*			cis	-146.9	-179.6	-14.7	-75	-165.7	116.4	0	0	109.5
421	Q	29.9	Very low	31.2	Very low	187 Å²	187	133.1 Å²	133.1	87%	0.874	83%	0.825	S	S	*	*			trans	-99.9	-177	-179	-69.9	-168.4	-54.9	0	0	112.5
422	P	41.5	Very low	31.9	Very low	109 Å²	109	137.8 Å²	137.8	71%	0.708	84%	0.835	S	S	*	*			cis	-127.4	170.7	-40.2	30.5	-13.4	0	0	0	112.9
423	S	27.9	Very low	32.2	Very low	127 Å²	127	132.1 Å²	132.1	89%	0.888	82%	0.822	S	S	*	*			trans	-158.6	168.3	155.3	-88.3	0	0	0	0	112.1
424	T	33.4	Very low	33	Very low	133 Å²	133	134.2 Å²	134.2	82%	0.816	82%	0.821	S	S	*	*			trans	-110.3	170.4	-156.3	54.9	0	0	0	0	115.3
425	S	32.5	Very low	34.2	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	82%	0.822	S	S	*	*			trans	93	112.2	162.3	76	0	0	0	0	119.1
426	S	34.7	Very low	36.4	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	82%	0.821	S	S	*	*			trans	59.6	95.4	135.4	-51.8	0	0	0	0	119	R428	S426-R428 PolarHBondContact O-N 2.77Å
427	D	31.1	Very low	39	Very low	167 Å²	167	132.7 Å²	132.7	89%	0.893	79%	0.787	S	S	*	*			trans	-51.8	122.1	166	-60.8	-79.9	0	0	0	112.7
428	R	33.8	Very low	41.2	Very low	233 Å²	233	131.3 Å²	131.3	88%	0.879	78%	0.779	S	S	*	*			trans	-109.8	123.2	152.7	-80.2	-174.9	164.4	-157.2	-3.8	107.4	S426 S430	S426-R428 PolarHBondContact O-N 2.77Å; R428-S430 PolarHBondContact O-N 2.62Å
429	P	33.3	Very low	44	Very low	125 Å²	125	126.5 Å²	126.5	81%	0.812	74%	0.739	S	S	*	*			trans	-62.8	133.5	173.2	26.5	-33.1	0	0	0	109.9	A431	P429-A431 PolarHBondContact O-N 3.43Å
430	S	30.3	Very low	46.7	Very low	116 Å²	116	126.3 Å²	126.3	81%	0.811	73%	0.725	S	S	*	*			trans	-61.2	129.3	-172.8	-51.8	0	0	0	0	112.5	R428 D432	R428-S430 PolarHBondContact O-N 2.62Å; S430-D432 PolarHBondContact O-N 3.06Å; S430-D432 VanDerWaalsContact O-N 3.16Å
431	A	39.6	Very low	48.8	Very low	91 Å²	91	123.2 Å²	123.2	75%	0.752	72%	0.722	S	S	*	*			trans	-88.3	71.3	178.9	0	0	0	0	0	111.6	P429	P429-A431 PolarHBondContact O-N 3.43Å
432	D	41.1	Very low	50.8	Low	162 Å²	162	123.4 Å²	123.4	87%	0.866	72%	0.723	S	S	*	*			trans	-135.6	42.8	175.9	-99.3	-46.4	0	0	0	112.8	S430	S430-D432 PolarHBondContact O-N 3.06Å; S430-D432 VanDerWaalsContact O-N 3.16Å
433	A	33.5	Very low	52.6	Low	80 Å²	80	119.1 Å²	119.1	66%	0.661	70%	0.699	S	S	*	*	S	Bend	trans	-98	135.6	151.5	0	0	0	0	0	107.9	Q435	A433-Q435 PolarHBondContact O-N 3.17Å
434	P	43.2	Very low	55.3	Low	125 Å²	125	122.2 Å²	122.2	81%	0.812	69%	0.691	S	S	*	*			trans	-62.1	113.2	176	26.2	-33.2	0	0	0	108.8	E436	P434-E436 PolarHBondContact O-N 3.39Å
435	Q	52.8	Low	58	Low	182 Å²	182	118 Å²	118	85%	0.85	66%	0.662	S	S	*	*			trans	-62.3	112.7	-177.6	-68.7	-177	-11.5	0	0	109.5	A433 Y437	A433-Q435 PolarHBondContact O-N 3.17Å; Q435-Y437 PolarHBondContact O-N 3.37Å
436	E	72.2	Confident	60.8	Low	180 Å²	180	113.8 Å²	113.8	84%	0.841	63%	0.631	S	S	*	*			trans	-57.8	124.7	170.3	-66.7	-165.7	153.9	0	0	108.4	P434 C438	P434-E436 PolarHBondContact O-N 3.39Å; E436-C438 PolarHBondContact O-N 3.4Å
437	Y	84	Confident	63.4	Low	53 Å²	53	112.3 Å²	112.3	21%	0.208	61%	0.613	C	S	.	*			trans	-61.9	125.4	-176.2	173.1	-88.5	0	0	0	110.5	Q372 Q435 P456 R458	Q372-Y437 HydrophobicContact CB-CD1 4.4Å; Q372-Y437 VanDerWaalsContact CB-O 3.24Å; Q372-Y437 WeakPolarHBondContact CB-O 3.43Å; Q372-Y437 WeakPolarHBondContact CG-O 3.31Å; Q372-Y437 PolarHBondContact NE2-O 3.22Å; Q435-Y437 PolarHBondContact O-N 3.37Å; Y437-P456 HydrophobicContact CD1-CG 4.16Å; Y437-P456 HydrophobicContact CE1-CB 3.76Å; Y437-P456 HydrophobicContact CE1-CG 3.76Å; Y437-R458 VanDerWaalsContact CD2-NH1 3.33Å; Y437-R458 HydrophobicContact CE1-CG 4.47Å; Y437-R458 VanDerWaalsContact CE2-CZ 3.45Å; Y437-R458 VanDerWaalsContact CE2-NE 3.25Å; Y437-R458 VanDerWaalsContact CG-NH1 3.31Å
438	C	84.9	Confident	66.4	Low	88 Å²	88	104.3 Å²	104.3	60%	0.595	57%	0.571	S	S	*	*			trans	-104.8	137.8	169.3	-70	0	0	0	0	109.7	Q372 E436	Q372-C438 CarbonylContact O-C 3.59Å; Q372-C438 WeakPolarHBondContact O-CA 3.18Å; E436-C438 PolarHBondContact O-N 3.4Å
439	C	87.6	Confident	69.2	Low	3 Å²	3	95.3 Å²	95.3	2%	0.02	54%	0.541	C	S	.	.			trans	-66	137.4	176.3	-57.5	0	0	0	0	110.7	Q372 P374 H445	Q372-C439 VanDerWaalsContact C-SG 3.6Å; Q372-C439 PolarHBondContact O-N 2.81Å; P374-C439 WeakPolarHBondContact CD-O 3.14Å; C439-H445 PolarHBondContact SG-NE2 2.84Å; C439-H445 VanDerWaalsContact SG-NE2 3.44Å
440	P	83.9	Confident	72	Confident	70 Å²	70	90.4 Å²	90.4	46%	0.455	51%	0.51	S	S	.	.			trans	-65.1	158.7	166.1	28.3	-32.7	0	0	0	110.4	Q442 G443	P440-Q442 PolarHBondContact O-N 3.44Å; P440-G443 PolarHBondContact O-N 3.23Å
441	P	73	Confident	74.9	Confident	138 Å²	138	86 Å²	86	90%	0.896	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.5	-176.5	-27.7	36.1	0	0	0	115.6
442	Q	73.1	Confident	77.3	Confident	191 Å²	191	85.5 Å²	85.5	89%	0.893	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	26.2	174.6	-62.5	-179.5	-2.9	0	0	111.9	P440 R444	P440-Q442 PolarHBondContact O-N 3.44Å; Q442-R444 PolarHBondContact O-N 2.89Å
443	G	79	Confident	79.5	Confident	19 Å²	19	81.9 Å²	81.9	20%	0.196	44%	0.441	C	S	.	.			trans	-59.4	127.7	179.3	0	0	0	0	0	111.8	P440 H445	P440-G443 PolarHBondContact O-N 3.23Å; G443-H445 PolarHBondContact O-CE1 2.82Å; G443-H445 VanDerWaalsContact O-CE1 3.31Å; G443-H445 PolarHBondContact O-ND1 2.85Å
444	R	85.3	Confident	82.2	Confident	191 Å²	191	79.1 Å²	79.1	72%	0.721	42%	0.416	S	S	*	.			trans	-69.1	146.7	171.7	-66.8	-176.9	66.8	168	2.4	109.5	Q442 D457	Q442-R444 PolarHBondContact O-N 2.89Å; R444-D457 HydrophobicContact CB-CB 3.87Å; R444-D457 PolarHBondContact O-N 3.29Å
445	H	89.6	Confident	84.6	Confident	44 Å²	44	73.1 Å²	73.1	20%	0.204	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.7	-177.9	-72.2	89.6	0	0	0	111.9	L368 C370 C373 C439 G443 M455	L368-H445 HydrophobicContact CB-CB 4.31Å; L368-H445 VanDerWaalsContact O-CG 3.29Å; L368-H445 PolarHBondContact O-ND1 3Å; C370-H445 VanDerWaalsContact SG-CD2 3.53Å; C370-H445 PolarHBondContact SG-NE2 3.24Å; C373-H445 VanDerWaalsContact SG-CE1 3.56Å; C373-H445 PolarHBondContact SG-NE2 2.88Å; C373-H445 VanDerWaalsContact SG-NE2 3.41Å; C439-H445 PolarHBondContact SG-NE2 2.84Å; C439-H445 VanDerWaalsContact SG-NE2 3.44Å; G443-H445 PolarHBondContact O-CE1 2.82Å; G443-H445 VanDerWaalsContact O-CE1 3.31Å; G443-H445 PolarHBondContact O-ND1 2.85Å; H445-M455 CarbonylContact C-O 3.6Å; H445-M455 VanDerWaalsContact CA-O 3.25Å; H445-M455 WeakPolarHBondContact CA-O 3.36Å; H445-M455 PolarHBondContact CD2-O 3.04Å
446	L	90.1	Very high	86.4	Confident	19 Å²	19	64.5 Å²	64.5	10%	0.099	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.5	174.7	-65.1	169.6	0	0	0	109.7	P454 M455 D457 R459 Q471 P479	L446-P454 CarbonylContact O-C 3.46Å; L446-P454 VanDerWaalsContact O-CA 3.31Å; L446-P454 WeakPolarHBondContact O-CA 3.17Å; L446-M455 HydrophobicContact CB-CE 3.79Å; L446-M455 HydrophobicContact CB-CG 4Å; L446-M455 HydrophobicContact CD1-CE 3.75Å; L446-M455 HydrophobicContact CG-CE 4.44Å; L446-M455 PolarHBondContact N-O 2.92Å; L446-M455 PolarHBondContact O-N 3Å; L446-D457 HydrophobicContact CD1-CB 4.05Å; L446-D457 HydrophobicContact CD2-CB 4.27Å; L446-D457 HydrophobicContact CG-CB 3.72Å; L446-R459 HydrophobicContact CD1-CG 4.19Å; L446-Q471 HydrophobicContact CD1-CB 4.43Å; L446-P479 HydrophobicContact CB-CB 3.97Å; L446-P479 HydrophobicContact CB-CG 4.45Å; L446-P479 HydrophobicContact CD1-CB 4.03Å; L446-P479 HydrophobicContact CD2-CB 4.22Å; L446-P479 HydrophobicContact CD2-CG 4.48Å; L446-P479 HydrophobicContact CG-CB 4.29Å
447	I	90.3	Very high	87.3	Confident	81 Å²	81	57.5 Å²	57.5	42%	0.415	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.1	170	-62.1	175.8	0	0	0	108	L368 T449 L452 P479	L368-I447 HydrophobicContact CD1-CD1 4.24Å; L368-I447 HydrophobicContact CD1-CG1 4.43Å; L368-I447 HydrophobicContact CD2-CD1 4.26Å; I447-T449 PolarHBondContact O-N 3.5Å; I447-L452 HydrophobicContact CG2-CB 4.32Å; I447-L452 HydrophobicContact CG2-CD2 4.47Å; I447-P479 WeakPolarHBondContact O-CG 3.37Å
448	C	93.3	Very high	87.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.303	C	S	.	.			trans	-62.4	122.5	178.5	171.3	0	0	0	0	111.1	C450 C451 L452 Q453 P479 C481	C448-C450 PolarHBondContact O-N 2.98Å; C448-C450 PolarHBondContact SG-N 3.31Å; C448-C450 VanDerWaalsContact SG-N 3.44Å; C448-C451 PolarHBondContact O-N 3.11Å; C448-C451 VanDerWaalsContact SG-SG 3.68Å; C448-L452 VanDerWaalsContact O-CA 3.26Å; C448-L452 WeakPolarHBondContact O-CA 3.48Å; C448-L452 PolarHBondContact O-N 3.33Å; C448-Q453 PolarHBondContact N-O 3.45Å; C448-P479 WeakPolarHBondContact CA-O 3.45Å; C448-C481 HydrophobicContact CB-CB 3.97Å; C448-C481 PolarHBondContact SG-N 3.01Å; C448-C481 VanDerWaalsContact SG-N 3.38Å
449	T	93.1	Very high	87.4	Confident	43 Å²	43	56.6 Å²	56.6	26%	0.264	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.1	-177.6	-48.5	0	0	0	0	113.5	I447 P479 F480	I447-T449 PolarHBondContact O-N 3.5Å; T449-P479 PolarHBondContact N-O 3.38Å; T449-P479 PolarHBondContact OG1-O 3.08Å; T449-F480 HydrophobicContact CG2-CE1 4.39Å; T449-F480 HydrophobicContact CG2-CZ 4.32Å
450	C	91.8	Very high	86.9	Confident	22 Å²	22	61.4 Å²	61.4	15%	0.149	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-39.7	-179.9	-177.8	0	0	0	0	115.1	C448 F480 R489 C492 C495	C448-C450 PolarHBondContact O-N 2.98Å; C448-C450 PolarHBondContact SG-N 3.31Å; C448-C450 VanDerWaalsContact SG-N 3.44Å; C450-F480 HydrophobicContact CB-CD1 3.98Å; C450-F480 HydrophobicContact CB-CE1 4.18Å; C450-R489 WeakPolarHBondContact O-CD 3.23Å; C450-R489 PolarHBondContact O-NE 3.07Å; C450-R489 PolarHBondContact SG-NE 3.44Å; C450-R489 VanDerWaalsContact SG-NE 3.38Å; C450-R489 PolarHBondContact SG-NH2 3.27Å; C450-C492 VanDerWaalsContact SG-SG 3.67Å; C450-C495 HydrophobicContact CB-CB 3.43Å; C450-C495 VanDerWaalsContact CB-CB 3.43Å; C450-C495 VanDerWaalsContact CB-SG 3.52Å; C450-C495 WeakPolarHBondContact SG-CB 3.36Å
451	C	90.8	Very high	86.7	Confident	23 Å²	23	61.3 Å²	61.3	16%	0.155	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-3.1	-175.2	63.8	0	0	0	0	114.2	C448 Q453 C481 C487 R489	C448-C451 PolarHBondContact O-N 3.11Å; C448-C451 VanDerWaalsContact SG-SG 3.68Å; C451-Q453 HydrophobicContact CB-CG 4.3Å; C451-Q453 PolarHBondContact O-N 3.09Å; C451-C481 VanDerWaalsContact SG-SG 3.63Å; C451-C487 VanDerWaalsContact SG-SG 3.67Å; C451-R489 HydrophobicContact CB-CB 3.86Å
452	L	90.3	Very high	86.5	Confident	81 Å²	81	59.5 Å²	59.5	42%	0.424	31%	0.305	S	S	.	.			trans	56.4	15.4	-177.7	-47.1	-177.3	0	0	0	114.7	I447 C448	I447-L452 HydrophobicContact CG2-CB 4.32Å; I447-L452 HydrophobicContact CG2-CD2 4.47Å; C448-L452 VanDerWaalsContact O-CA 3.26Å; C448-L452 WeakPolarHBondContact O-CA 3.48Å; C448-L452 PolarHBondContact O-N 3.33Å
453	Q	88.4	Confident	86.3	Confident	86 Å²	86	52.8 Å²	52.8	40%	0.402	28%	0.275	S	S	.	.			trans	-83.2	141.9	172.4	-61.2	-64.9	-75.1	0	0	110.6	C448 C451	C448-Q453 PolarHBondContact N-O 3.45Å; C451-Q453 HydrophobicContact CB-CG 4.3Å; C451-Q453 PolarHBondContact O-N 3.09Å
454	P	90.1	Very high	85.5	Confident	22 Å²	22	60.2 Å²	60.2	14%	0.143	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	148	170.8	29.7	-33.9	0	0	0	111.4	M369 C370 L446 W485	M369-P454 WeakPolarHBondContact O-CG 3.5Å; C370-P454 HydrophobicContact CB-CB 3.98Å; C370-P454 HydrophobicContact CB-CG 4.06Å; C370-P454 WeakPolarHBondContact CB-O 3.28Å; L446-P454 CarbonylContact O-C 3.46Å; L446-P454 VanDerWaalsContact O-CA 3.31Å; L446-P454 WeakPolarHBondContact O-CA 3.17Å; P454-W485 WeakPolarHBondContact O-CZ2 3.45Å
455	M	92.4	Very high	84.4	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.8	168.2	66.8	179.2	176.1	0	0	108.8	H445 L446 Q471 P479 C481 W485	H445-M455 CarbonylContact C-O 3.6Å; H445-M455 VanDerWaalsContact CA-O 3.25Å; H445-M455 WeakPolarHBondContact CA-O 3.36Å; H445-M455 PolarHBondContact CD2-O 3.04Å; L446-M455 HydrophobicContact CB-CE 3.79Å; L446-M455 HydrophobicContact CB-CG 4Å; L446-M455 HydrophobicContact CD1-CE 3.75Å; L446-M455 HydrophobicContact CG-CE 4.44Å; L446-M455 PolarHBondContact N-O 2.92Å; L446-M455 PolarHBondContact O-N 3Å; M455-Q471 HydrophobicContact CE-CB 3.9Å; M455-Q471 HydrophobicContact CE-CG 4.45Å; M455-P479 HydrophobicContact CE-CB 3.88Å; M455-C481 HydrophobicContact CB-CB 4.46Å; M455-C481 HydrophobicContact CG-CB 4.43Å; M455-C481 WeakPolarHBondContact SD-CA 3.35Å; M455-C481 HydrophobicContact SD-CB 3.37Å; M455-C481 WeakPolarHBondContact SD-CB 3.42Å; M455-W485 HydrophobicContact CB-CH2 3.86Å; M455-W485 HydrophobicContact CB-CZ2 3.57Å
456	P	91.3	Very high	83	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	140.6	179.6	-5.1	20.1	0	0	0	110.8	Q372 Y437 R458 Q471 Y484	Q372-P456 HydrophobicContact CB-CG 4.44Å; Y437-P456 HydrophobicContact CD1-CG 4.16Å; Y437-P456 HydrophobicContact CE1-CB 3.76Å; Y437-P456 HydrophobicContact CE1-CG 3.76Å; P456-R458 HydrophobicContact CB-CG 3.98Å; P456-R458 PolarHBondContact O-N 3.26Å; P456-Q471 PolarHBondContact O-NE2 3.41Å; P456-Q471 PolarHBondContact O-OE1 3Å; P456-Y484 HydrophobicContact CG-CE1 4.1Å
457	D	90.3	Very high	81.8	Confident	32 Å²	32	68.5 Å²	68.5	17%	0.171	36%	0.357	C	S	.	.			trans	-81.5	97.1	172.9	-165.5	-8	0	0	0	109.9	R444 L446 R459	R444-D457 HydrophobicContact CB-CB 3.87Å; R444-D457 PolarHBondContact O-N 3.29Å; L446-D457 HydrophobicContact CD1-CB 4.05Å; L446-D457 HydrophobicContact CD2-CB 4.27Å; L446-D457 HydrophobicContact CG-CB 3.72Å; D457-R459 WeakPolarHBondContact OD1-CG 3.45Å; D457-R459 IonicContact OD1-CZ 3.63Å; D457-R459 PolarHBondContact OD1-N 2.9Å; D457-R459 IonicContact OD1-NE 3.57Å; D457-R459 PolarHBondContact OD1-NE 2.79Å; D457-R459 IonicContact OD1-NH2 2.65Å; D457-R459 PolarHBondContact OD1-NH2 2.95Å; D457-R459 IonicContact OD2-CZ 3.56Å; D457-R459 IonicContact OD2-NE 2.69Å; D457-R459 IonicContact OD2-NH2 2.71Å; D457-R459 PolarHBondContact OD2-NH2 3.2Å
458	R	87.6	Confident	80.8	Confident	40 Å²	40	69.1 Å²	69.1	15%	0.151	36%	0.364	C	S	.	.			trans	-116.9	20.1	-178.8	-53.4	-179.1	64.9	-162.2	-5.9	112.1	Y437 P456 A460 E461 I469 Y484	Y437-R458 VanDerWaalsContact CD2-NH1 3.33Å; Y437-R458 HydrophobicContact CE1-CG 4.47Å; Y437-R458 VanDerWaalsContact CE2-CZ 3.45Å; Y437-R458 VanDerWaalsContact CE2-NE 3.25Å; Y437-R458 VanDerWaalsContact CG-NH1 3.31Å; P456-R458 HydrophobicContact CB-CG 3.98Å; P456-R458 PolarHBondContact O-N 3.26Å; R458-A460 PolarHBondContact O-N 3.05Å; R458-E461 HydrophobicContact CB-CB 4.29Å; R458-E461 HydrophobicContact CB-CG 4.26Å; R458-E461 WeakPolarHBondContact CG-OE1 3.48Å; R458-E461 IonicContact CZ-OE2 3.16Å; R458-E461 IonicContact NE-OE1 3.4Å; R458-E461 PolarHBondContact NE-OE1 3.09Å; R458-E461 IonicContact NE-OE2 2.8Å; R458-E461 PolarHBondContact NE-OE2 3.31Å; R458-E461 IonicContact NH2-OE2 2.69Å; R458-E461 PolarHBondContact NH2-OE2 2.99Å; R458-E461 WeakPolarHBondContact O-CB 3.18Å; R458-E461 PolarHBondContact O-N 3.05Å; R458-I469 HydrophobicContact CB-CD1 3.86Å; R458-Y484 WeakPolarHBondContact CD-OH 3.43Å; R458-Y484 PolarHBondContact NH1-OH 3.15Å
459	R	85	Confident	80.2	Confident	83 Å²	83	70.2 Å²	70.2	31%	0.313	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.9	-177.6	-65.7	177	-65.1	158.2	1.5	114.4	L446 D457 Q471 Q472	L446-R459 HydrophobicContact CD1-CG 4.19Å; D457-R459 WeakPolarHBondContact OD1-CG 3.45Å; D457-R459 IonicContact OD1-CZ 3.63Å; D457-R459 PolarHBondContact OD1-N 2.9Å; D457-R459 IonicContact OD1-NE 3.57Å; D457-R459 PolarHBondContact OD1-NE 2.79Å; D457-R459 IonicContact OD1-NH2 2.65Å; D457-R459 PolarHBondContact OD1-NH2 2.95Å; D457-R459 IonicContact OD2-CZ 3.56Å; D457-R459 IonicContact OD2-NE 2.69Å; D457-R459 IonicContact OD2-NH2 2.71Å; D457-R459 PolarHBondContact OD2-NH2 3.2Å; R459-Q471 HydrophobicContact CG-CB 3.89Å; R459-Q472 VanDerWaalsContact CD-OE1 3.23Å
460	A	76.3	Confident	80	Confident	104 Å²	104	69.2 Å²	69.2	86%	0.86	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-8.1	172.9	0	0	0	0	0	113	R458	R458-A460 PolarHBondContact O-N 3.05Å
461	E	79.6	Confident	80	Confident	68 Å²	68	68.2 Å²	68.2	32%	0.318	36%	0.359	S	S	.	.	S	Bend	trans	-89.4	145.4	175.7	-60.8	177.8	-144.4	0	0	110.4	R458 I469	R458-E461 HydrophobicContact CB-CB 4.29Å; R458-E461 HydrophobicContact CB-CG 4.26Å; R458-E461 WeakPolarHBondContact CG-OE1 3.48Å; R458-E461 IonicContact CZ-OE2 3.16Å; R458-E461 IonicContact NE-OE1 3.4Å; R458-E461 PolarHBondContact NE-OE1 3.09Å; R458-E461 IonicContact NE-OE2 2.8Å; R458-E461 PolarHBondContact NE-OE2 3.31Å; R458-E461 IonicContact NH2-OE2 2.69Å; R458-E461 PolarHBondContact NH2-OE2 2.99Å; R458-E461 WeakPolarHBondContact O-CB 3.18Å; R458-E461 PolarHBondContact O-N 3.05Å; E461-I469 HydrophobicContact CB-CD1 4.05Å
462	L	70.2	Confident	80.1	Confident	99 Å²	99	69.8 Å²	69.8	52%	0.518	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-94	142.9	166.6	-57.6	179.1	0	0	0	109	Q467 V468	L462-Q467 CarbonylContact C-O 3.52Å; L462-Q467 WeakPolarHBondContact CA-O 3.26Å; L462-V468 HydrophobicContact CD2-CG2 3.93Å
463	N	67.3	Low	80.3	Confident	50 Å²	50	65.9 Å²	65.9	27%	0.267	34%	0.344	S	S	.	.			trans	-72.8	177.2	171.7	76	1	0	0	0	111.4	Q465 Q466 Q467 I469	N463-Q465 PolarHBondContact O-N 3.44Å; N463-Q465 VanDerWaalsContact OD1-C 3.26Å; N463-Q465 VanDerWaalsContact OD1-CA 3.31Å; N463-Q465 WeakPolarHBondContact OD1-CA 3.24Å; N463-Q465 WeakPolarHBondContact OD1-CB 3.44Å; N463-Q465 PolarHBondContact OD1-N 3.14Å; N463-Q466 PolarHBondContact O-N 2.94Å; N463-Q466 PolarHBondContact OD1-N 3.28Å; N463-Q467 PolarHBondContact N-O 3.17Å; N463-Q467 PolarHBondContact OD1-N 2.96Å; N463-Q467 PolarHBondContact OD1-O 2.88Å; N463-I469 HydrophobicContact CB-CG1 4.23Å
464	N	62.9	Low	80.4	Confident	176 Å²	176	67 Å²	67	94%	0.941	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-7.2	178.8	-61.5	8.4	0	0	0	114.3
465	Q	61.9	Low	80.4	Confident	145 Å²	145	67.5 Å²	67.5	68%	0.678	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	15.8	176.3	-61.3	172.7	-41.8	0	0	112	N463 Q467	N463-Q465 PolarHBondContact O-N 3.44Å; N463-Q465 VanDerWaalsContact OD1-C 3.26Å; N463-Q465 VanDerWaalsContact OD1-CA 3.31Å; N463-Q465 WeakPolarHBondContact OD1-CA 3.24Å; N463-Q465 WeakPolarHBondContact OD1-CB 3.44Å; N463-Q465 PolarHBondContact OD1-N 3.14Å; Q465-Q467 PolarHBondContact O-N 3.25Å
466	Q	59.2	Low	80.3	Confident	163 Å²	163	69.9 Å²	69.9	76%	0.762	37%	0.368	S	S	*	.	S	Bend	trans	60.3	19.8	-178.1	-63.8	178.6	-41	0	0	115.3	N463	N463-Q466 PolarHBondContact O-N 2.94Å; N463-Q466 PolarHBondContact OD1-N 3.28Å
467	Q	66.3	Low	80.3	Confident	119 Å²	119	76.6 Å²	76.6	56%	0.556	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-94.7	145.1	174.5	-61.1	177.3	-9.5	0	0	111.2	L462 N463 Q465 I469	L462-Q467 CarbonylContact C-O 3.52Å; L462-Q467 WeakPolarHBondContact CA-O 3.26Å; N463-Q467 PolarHBondContact N-O 3.17Å; N463-Q467 PolarHBondContact OD1-N 2.96Å; N463-Q467 PolarHBondContact OD1-O 2.88Å; Q465-Q467 PolarHBondContact O-N 3.25Å; Q467-I469 PolarHBondContact O-N 3.42Å
468	V	69.1	Low	80.4	Confident	95 Å²	95	76.8 Å²	76.8	58%	0.576	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-64.9	132.3	175.2	-179.9	0	0	0	0	110	L462 A470	L462-V468 HydrophobicContact CD2-CG2 3.93Å; V468-A470 PolarHBondContact O-N 3.4Å
469	I	81.1	Confident	80.7	Confident	22 Å²	22	76.1 Å²	76.1	11%	0.113	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-66.5	123	-176.7	-56.9	178.6	0	0	0	110.5	R458 E461 N463 Q467 Q471 Y484	R458-I469 HydrophobicContact CB-CD1 3.86Å; E461-I469 HydrophobicContact CB-CD1 4.05Å; N463-I469 HydrophobicContact CB-CG1 4.23Å; Q467-I469 PolarHBondContact O-N 3.42Å; I469-Q471 HydrophobicContact CG2-CG 3.91Å; I469-Q471 PolarHBondContact O-N 3.09Å; I469-Y484 HydrophobicContact CG2-CD2 3.6Å; I469-Y484 HydrophobicContact CG2-CE2 3.89Å
470	A	88.1	Confident	81.2	Confident	22 Å²	22	73 Å²	73	18%	0.182	39%	0.393	C	S	.	.			trans	-69.8	80.2	-172.7	0	0	0	0	0	113.4	V468 M483 L496 L562	V468-A470 PolarHBondContact O-N 3.4Å; A470-M483 HydrophobicContact CB-CB 3.65Å; A470-M483 HydrophobicContact CB-CG 4.39Å; A470-M483 WeakPolarHBondContact O-CB 3.49Å; A470-L496 WeakPolarHBondContact O-CD2 3.46Å; A470-L562 HydrophobicContact CB-CD1 3.61Å
471	Q	92.3	Very high	82	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	35%	0.352	C	S	.	.			trans	-118.9	-0.2	-178	-60.3	-170	-39	0	0	114.9	L446 M455 P456 R459 I469 P479 F480 Y484	L446-Q471 HydrophobicContact CD1-CB 4.43Å; M455-Q471 HydrophobicContact CE-CB 3.9Å; M455-Q471 HydrophobicContact CE-CG 4.45Å; P456-Q471 PolarHBondContact O-NE2 3.41Å; P456-Q471 PolarHBondContact O-OE1 3Å; R459-Q471 HydrophobicContact CG-CB 3.89Å; I469-Q471 HydrophobicContact CG2-CG 3.91Å; I469-Q471 PolarHBondContact O-N 3.09Å; Q471-P479 CarbonylContact O-C 3.5Å; Q471-P479 VanDerWaalsContact O-CA 3.23Å; Q471-P479 WeakPolarHBondContact O-CA 3.46Å; Q471-F480 CarbonylContact C-O 3.59Å; Q471-F480 PolarHBondContact O-N 3.02Å; Q471-Y484 HydrophobicContact CG-CD2 4.16Å; Q471-Y484 HydrophobicContact CG-CG 4.36Å
472	Q	93.4	Very high	82.7	Confident	56 Å²	56	67.5 Å²	67.5	26%	0.262	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-144.5	155.2	179.9	68.3	-178.5	16.8	0	0	112.8	R459 S478	R459-Q472 VanDerWaalsContact CD-OE1 3.23Å; Q472-S478 WeakPolarHBondContact CA-O 3.44Å
473	C	93.4	Very high	83.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.343	C	S	.	.			trans	-80.3	131.9	173.7	171.9	0	0	0	0	111.3	L475 C476 Q477 S478 F480 L496 C564	C473-L475 PolarHBondContact O-N 2.86Å; C473-C476 VanDerWaalsContact CB-SG 3.59Å; C473-C476 VanDerWaalsContact SG-SG 3.67Å; C473-Q477 WeakPolarHBondContact O-CA 3.48Å; C473-Q477 PolarHBondContact O-N 3.33Å; C473-S478 PolarHBondContact N-O 3.39Å; C473-S478 VanDerWaalsContact N-O 3.13Å; C473-F480 HydrophobicContact CB-CD2 4.19Å; C473-F480 HydrophobicContact CB-CE2 3.98Å; C473-L496 HydrophobicContact CB-CD1 4.11Å; C473-C564 HydrophobicContact CB-CB 3.98Å; C473-C564 PolarHBondContact SG-N 3.26Å; C473-C564 VanDerWaalsContact SG-N 3.39Å
474	M	91.1	Very high	84.9	Confident	109 Å²	109	66.1 Å²	66.1	54%	0.537	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.5	-176.5	-63.9	-60.4	-75.8	0	0	114.4	T561 L562	M474-T561 HydrophobicContact CB-CG2 3.96Å; M474-T561 HydrophobicContact CG-CG2 4.21Å; M474-L562 HydrophobicContact CG-CB 4.18Å; M474-L562 PolarHBondContact N-O 3.32Å
475	L	89.3	Confident	86.2	Confident	32 Å²	32	60.8 Å²	60.8	17%	0.168	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-35.1	-177.6	-63.3	-176.7	0	0	0	114.6	C473 D554 I557 L563 C567	C473-L475 PolarHBondContact O-N 2.86Å; L475-D554 VanDerWaalsContact CD2-OD2 3.3Å; L475-D554 WeakPolarHBondContact CD2-OD2 2.95Å; L475-I557 HydrophobicContact CD1-CD1 3.69Å; L475-I557 HydrophobicContact CD1-CG1 4.03Å; L475-I557 HydrophobicContact CD2-CD1 4.45Å; L475-I557 HydrophobicContact CD2-CG1 4.14Å; L475-L563 HydrophobicContact CB-CD2 4.31Å; L475-L563 HydrophobicContact CD1-CD1 4.48Å; L475-L563 HydrophobicContact CD1-CD2 3.55Å; L475-L563 HydrophobicContact CG-CD2 3.55Å; L475-C567 HydrophobicContact CB-CB 4.28Å; L475-C567 HydrophobicContact CD1-CB 4.25Å
476	C	90.9	Very high	87.6	Confident	50 Å²	50	55.1 Å²	55.1	34%	0.338	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.3	-179.4	70.5	0	0	0	0	114.1	C473 S478	C473-C476 VanDerWaalsContact CB-SG 3.59Å; C473-C476 VanDerWaalsContact SG-SG 3.67Å; C476-S478 PolarHBondContact O-N 2.93Å; C476-S478 PolarHBondContact O-OG 3.09Å; C476-S478 VanDerWaalsContact O-OG 3.1Å; C476-S478 PolarHBondContact SG-OG 3.19Å
477	Q	91.1	Very high	89.2	Confident	142 Å²	142	47.9 Å²	47.9	66%	0.664	25%	0.253	S	S	*	.			trans	55.6	7.2	-179.7	-54.2	-178.7	17	0	0	115.1	C473	C473-Q477 WeakPolarHBondContact O-CA 3.48Å; C473-Q477 PolarHBondContact O-N 3.33Å
478	S	92.3	Very high	90.2	Very high	36 Å²	36	48.7 Å²	48.7	25%	0.252	26%	0.257	S	S	.	.			trans	-76.5	143.8	-178	-38.6	0	0	0	0	110.8	Q472 C473 C476 F480	Q472-S478 WeakPolarHBondContact CA-O 3.44Å; C473-S478 PolarHBondContact N-O 3.39Å; C473-S478 VanDerWaalsContact N-O 3.13Å; C476-S478 PolarHBondContact O-N 2.93Å; C476-S478 PolarHBondContact O-OG 3.09Å; C476-S478 VanDerWaalsContact O-OG 3.1Å; C476-S478 PolarHBondContact SG-OG 3.19Å; S478-F480 WeakPolarHBondContact O-CD2 3.41Å; S478-F480 VanDerWaalsContact O-CE2 3.3Å; S478-F480 WeakPolarHBondContact O-CE2 3.45Å
479	P	93.9	Very high	91.2	Very high	27 Å²	27	49.5 Å²	49.5	18%	0.175	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-81.7	137.8	-173.7	31.3	-36.8	0	0	0	114	L446 I447 C448 T449 M455 Q471	L446-P479 HydrophobicContact CB-CB 3.97Å; L446-P479 HydrophobicContact CB-CG 4.45Å; L446-P479 HydrophobicContact CD1-CB 4.03Å; L446-P479 HydrophobicContact CD2-CB 4.22Å; L446-P479 HydrophobicContact CD2-CG 4.48Å; L446-P479 HydrophobicContact CG-CB 4.29Å; I447-P479 WeakPolarHBondContact O-CG 3.37Å; C448-P479 WeakPolarHBondContact CA-O 3.45Å; T449-P479 PolarHBondContact N-O 3.38Å; T449-P479 PolarHBondContact OG1-O 3.08Å; M455-P479 HydrophobicContact CE-CB 3.88Å; Q471-P479 CarbonylContact O-C 3.5Å; Q471-P479 VanDerWaalsContact O-CA 3.23Å; Q471-P479 WeakPolarHBondContact O-CA 3.46Å
480	F	95.3	Very high	91.4	Very high	17 Å²	17	56.3 Å²	56.3	8%	0.075	28%	0.284	C	S	.	.			trans	-142.6	134.7	-178.8	-65.2	-82.4	0	0	0	112.1	T449 C450 Q471 C473 S478 C495 L496 C564	T449-F480 HydrophobicContact CG2-CE1 4.39Å; T449-F480 HydrophobicContact CG2-CZ 4.32Å; C450-F480 HydrophobicContact CB-CD1 3.98Å; C450-F480 HydrophobicContact CB-CE1 4.18Å; Q471-F480 CarbonylContact C-O 3.59Å; Q471-F480 PolarHBondContact O-N 3.02Å; C473-F480 HydrophobicContact CB-CD2 4.19Å; C473-F480 HydrophobicContact CB-CE2 3.98Å; S478-F480 WeakPolarHBondContact O-CD2 3.41Å; S478-F480 VanDerWaalsContact O-CE2 3.3Å; S478-F480 WeakPolarHBondContact O-CE2 3.45Å; F480-C495 HydrophobicContact CD1-CB 3.91Å; F480-C495 WeakPolarHBondContact CD1-O 3.39Å; F480-C495 HydrophobicContact CE1-CB 4.46Å; F480-L496 HydrophobicContact CB-CB 3.66Å; F480-L496 HydrophobicContact CB-CD2 4.21Å; F480-L496 HydrophobicContact CB-CG 4.39Å; F480-L496 HydrophobicContact CD2-CD1 4.46Å; F480-L496 HydrophobicContact CG-CB 4.37Å; F480-C564 HydrophobicContact CD2-CB 3.87Å; F480-C564 HydrophobicContact CE1-CB 4.05Å; F480-C564 HydrophobicContact CE2-CB 3.33Å; F480-C564 HydrophobicContact CG-CB 4.44Å; F480-C564 HydrophobicContact CZ-CB 3.44Å; F480-C564 VanDerWaalsContact CZ-CB 3.44Å
481	C	94	Very high	91.2	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.014	30%	0.301	C	S	.	.			trans	-93.2	-2.8	-171.4	68	0	0	0	0	116	C448 C451 M455 M483 Y484 W485	C448-C481 HydrophobicContact CB-CB 3.97Å; C448-C481 PolarHBondContact SG-N 3.01Å; C448-C481 VanDerWaalsContact SG-N 3.38Å; C451-C481 VanDerWaalsContact SG-SG 3.63Å; M455-C481 HydrophobicContact CB-CB 4.46Å; M455-C481 HydrophobicContact CG-CB 4.43Å; M455-C481 WeakPolarHBondContact SD-CA 3.35Å; M455-C481 HydrophobicContact SD-CB 3.37Å; M455-C481 WeakPolarHBondContact SD-CB 3.42Å; C481-M483 PolarHBondContact O-N 3.42Å; C481-Y484 PolarHBondContact O-N 3.25Å; C481-Y484 VanDerWaalsContact O-N 3.12Å; C481-W485 PolarHBondContact O-N 3.48Å; C481-W485 VanDerWaalsContact O-N 3.09Å
482	H	94.6	Very high	91	Very high	54 Å²	54	58.6 Å²	58.6	25%	0.25	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-44.8	-169.6	-166	93.8	0	0	0	113	Y484 G486 C487	H482-Y484 PolarHBondContact O-N 3.43Å; H482-G486 WeakPolarHBondContact O-CA 3.26Å; H482-G486 PolarHBondContact O-N 2.72Å; H482-C487 HydrophobicContact CB-CB 3.76Å; H482-C487 PolarHBondContact ND1-N 2.94Å
483	M	91.7	Very high	90.6	Very high	80 Å²	80	61.7 Å²	61.7	39%	0.394	32%	0.321	S	S	.	.	H	α-helix	trans	-76.7	-5.6	176	-64.2	-94.3	71.5	0	0	113.8	A470 C481 L496	A470-M483 HydrophobicContact CB-CB 3.65Å; A470-M483 HydrophobicContact CB-CG 4.39Å; A470-M483 WeakPolarHBondContact O-CB 3.49Å; C481-M483 PolarHBondContact O-N 3.42Å; M483-L496 HydrophobicContact CB-CD2 4.29Å; M483-L496 HydrophobicContact CG-CB 4.2Å; M483-L496 HydrophobicContact CG-CD2 4.23Å; M483-L496 HydrophobicContact CG-CG 4.08Å; M483-L496 VanDerWaalsContact CG-O 3.29Å; M483-L496 WeakPolarHBondContact CG-O 3.1Å
484	Y	91	Very high	90.5	Very high	40 Å²	40	61.9 Å²	61.9	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-91.4	-46.1	176.2	-173.2	-110.9	0	0	0	112.3	Q372 P456 R458 I469 Q471 C481 H482	Q372-Y484 VanDerWaalsContact OE1-CE1 3.28Å; Q372-Y484 PolarHBondContact OE1-OH 3.28Å; P456-Y484 HydrophobicContact CG-CE1 4.1Å; R458-Y484 WeakPolarHBondContact CD-OH 3.43Å; R458-Y484 PolarHBondContact NH1-OH 3.15Å; I469-Y484 HydrophobicContact CG2-CD2 3.6Å; I469-Y484 HydrophobicContact CG2-CE2 3.89Å; Q471-Y484 HydrophobicContact CG-CD2 4.16Å; Q471-Y484 HydrophobicContact CG-CG 4.36Å; C481-Y484 PolarHBondContact O-N 3.25Å; C481-Y484 VanDerWaalsContact O-N 3.12Å; H482-Y484 PolarHBondContact O-N 3.43Å
485	W	90.6	Very high	90.5	Very high	64 Å²	64	56.8 Å²	56.8	24%	0.242	30%	0.298	C	S	.	.	H	α-helix	trans	-155.5	16.2	-177.3	62.1	20.2	0	0	0	115	C370 R371 Q372 P454 M455 C481	C370-W485 HydrophobicContact CB-CH2 4Å; R371-W485 HydrophobicContact CB-CH2 3.81Å; R371-W485 HydrophobicContact CB-CZ2 4.49Å; R371-W485 HydrophobicContact CB-CZ3 3.86Å; R371-W485 HydrophobicContact CG-CH2 4.12Å; R371-W485 HydrophobicContact CG-CZ2 4.37Å; Q372-W485 HydrophobicContact CB-CZ3 4.4Å; Q372-W485 HydrophobicContact CG-CE3 4.36Å; Q372-W485 HydrophobicContact CG-CZ3 3.9Å; P454-W485 WeakPolarHBondContact O-CZ2 3.45Å; M455-W485 HydrophobicContact CB-CH2 3.86Å; M455-W485 HydrophobicContact CB-CZ2 3.57Å; C481-W485 PolarHBondContact O-N 3.48Å; C481-W485 VanDerWaalsContact O-N 3.09Å
486	G	91.6	Very high	90.8	Very high	27 Å²	27	55.3 Å²	55.3	28%	0.278	29%	0.29	S	S	.	.			trans	79.3	128.3	-172.9	0	0	0	0	0	113.8	H482	H482-G486 WeakPolarHBondContact O-CA 3.26Å; H482-G486 PolarHBondContact O-N 2.72Å
487	C	92.8	Very high	91	Very high	10 Å²	10	53.3 Å²	53.3	7%	0.068	28%	0.278	C	S	.	.			trans	-92	116.2	178.6	-173.9	0	0	0	0	110.9	C451 H482	C451-C487 VanDerWaalsContact SG-SG 3.67Å; H482-C487 HydrophobicContact CB-CB 3.76Å; H482-C487 PolarHBondContact ND1-N 2.94Å
488	Q	87.6	Confident	91.1	Very high	137 Å²	137	47.7 Å²	47.7	64%	0.64	25%	0.253	S	S	*	.			trans	-93	16.4	-171.8	-66.4	177.7	-12.3	0	0	115.2	R371 I490	R371-Q488 VanDerWaalsContact CZ-OE1 3.27Å; Q488-I490 PolarHBondContact O-N 2.92Å
489	R	88.6	Confident	91.2	Very high	112 Å²	112	46 Å²	46	42%	0.423	24%	0.241	S	C	.	.			trans	-68.2	131.4	173.2	-177.5	-175.8	54.3	70.5	-4.8	109.6	C450 C451 G491 C492	C450-R489 WeakPolarHBondContact O-CD 3.23Å; C450-R489 PolarHBondContact O-NE 3.07Å; C450-R489 PolarHBondContact SG-NE 3.44Å; C450-R489 VanDerWaalsContact SG-NE 3.38Å; C450-R489 PolarHBondContact SG-NH2 3.27Å; C451-R489 HydrophobicContact CB-CB 3.86Å; R489-G491 PolarHBondContact NH1-O 3.22Å; R489-G491 PolarHBondContact NH2-O 2.79Å; R489-G491 PolarHBondContact O-N 3.08Å; R489-C492 HydrophobicContact CB-CB 4.08Å; R489-C492 WeakPolarHBondContact O-CB 3.44Å; R489-C492 PolarHBondContact O-N 3.32Å
490	I	86.4	Confident	91.2	Very high	165 Å²	165	47.3 Å²	47.3	85%	0.846	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	126.2	170.8	-58.9	171.3	0	0	0	109.4	Q488	Q488-I490 PolarHBondContact O-N 2.92Å
491	G	82.8	Confident	91	Very high	51 Å²	51	53.2 Å²	53.2	53%	0.526	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	31.8	-173.7	0	0	0	0	0	114.4	R489	R489-G491 PolarHBondContact NH1-O 3.22Å; R489-G491 PolarHBondContact NH2-O 2.79Å; R489-G491 PolarHBondContact O-N 3.08Å
492	C	88.7	Confident	91	Very high	20 Å²	20	53.1 Å²	53.1	14%	0.135	28%	0.279	C	S	.	.			trans	-112.7	114	167.6	176.7	0	0	0	0	109.8	C450 R489	C450-C492 VanDerWaalsContact SG-SG 3.67Å; R489-C492 HydrophobicContact CB-CB 4.08Å; R489-C492 WeakPolarHBondContact O-CB 3.44Å; R489-C492 PolarHBondContact O-N 3.32Å
493	H	85	Confident	90.8	Very high	120 Å²	120	53.2 Å²	53.2	56%	0.556	28%	0.281	S	S	*	.	S	Bend	trans	-102.4	18.2	-178.3	-54.1	-80.3	0	0	0	113.6	N503	H493-N503 HydrophobicContact CB-CB 3.97Å; H493-N503 WeakPolarHBondContact CB-ND2 3.43Å; H493-N503 WeakPolarHBondContact O-CB 3.35Å
494	G	90.5	Very high	90.5	Very high	4 Å²	4	50 Å²	50	4%	0.041	27%	0.265	C	S	.	.			trans	122.4	92.8	-169.4	0	0	0	0	0	111.1	S565	G494-S565 PolarHBondContact O-OG 3.5Å; G494-S565 VanDerWaalsContact O-OG 3.05Å
495	C	92.4	Very high	90.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.02	28%	0.277	C	S	.	.	S	Bend	trans	-87.8	-6.7	178.4	65.8	0	0	0	0	114.1	C450 F480 C564	C450-C495 HydrophobicContact CB-CB 3.43Å; C450-C495 VanDerWaalsContact CB-CB 3.43Å; C450-C495 VanDerWaalsContact CB-SG 3.52Å; C450-C495 WeakPolarHBondContact SG-CB 3.36Å; F480-C495 HydrophobicContact CD1-CB 3.91Å; F480-C495 WeakPolarHBondContact CD1-O 3.39Å; F480-C495 HydrophobicContact CE1-CB 4.46Å; C495-C564 VanDerWaalsContact O-CA 3.23Å; C495-C564 WeakPolarHBondContact O-CA 3.49Å; C495-C564 WeakPolarHBondContact O-CB 3.29Å
496	L	95	Very high	89.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-148.3	134.8	166.2	-173.2	69.4	0	0	0	106.6	A470 C473 F480 M483 L562 L563	A470-L496 WeakPolarHBondContact O-CD2 3.46Å; C473-L496 HydrophobicContact CB-CD1 4.11Å; F480-L496 HydrophobicContact CB-CB 3.66Å; F480-L496 HydrophobicContact CB-CD2 4.21Å; F480-L496 HydrophobicContact CB-CG 4.39Å; F480-L496 HydrophobicContact CD2-CD1 4.46Å; F480-L496 HydrophobicContact CG-CB 4.37Å; M483-L496 HydrophobicContact CB-CD2 4.29Å; M483-L496 HydrophobicContact CG-CB 4.2Å; M483-L496 HydrophobicContact CG-CD2 4.23Å; M483-L496 HydrophobicContact CG-CG 4.08Å; M483-L496 VanDerWaalsContact CG-O 3.29Å; M483-L496 WeakPolarHBondContact CG-O 3.1Å; L496-L562 HydrophobicContact CD1-CB 4.28Å; L496-L563 WeakPolarHBondContact CA-O 3.49Å
497	A	94.5	Very high	89.3	Confident	9 Å²	9	62.6 Å²	62.6	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	166.1	175.5	0	0	0	0	0	109.3	L502 L562 L563	A497-L502 HydrophobicContact CB-CB 4.25Å; A497-L502 HydrophobicContact CB-CD1 3.95Å; A497-L562 WeakPolarHBondContact O-CA 3.32Å; A497-L563 PolarHBondContact N-O 3.1Å; A497-L563 PolarHBondContact O-N 2.92Å
498	P	94.8	Very high	89.1	Confident	23 Å²	23	62.4 Å²	62.4	15%	0.149	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	147.2	157.7	-22.2	34	0	0	0	110.4	S500 E501 L502 L562	P498-S500 VanDerWaalsContact C-N 3.26Å; P498-S500 PolarHBondContact O-N 2.92Å; P498-E501 PolarHBondContact O-N 2.57Å; P498-E501 VanDerWaalsContact O-N 3.09Å; P498-L502 WeakPolarHBondContact O-CB 3.46Å; P498-L502 PolarHBondContact O-N 3.2Å; P498-L562 HydrophobicContact CG-CD2 4.27Å
499	F	94.3	Very high	89.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.4	-177.2	-174.1	-157.7	0	0	0	112.5	E501 L538 L542 I557 A559 T561 L563 A571 F572 L575	F499-E501 VanDerWaalsContact C-N 3.32Å; F499-E501 PolarHBondContact O-N 2.97Å; F499-L538 HydrophobicContact CD2-CD1 4.28Å; F499-L538 HydrophobicContact CE1-CD1 4.49Å; F499-L538 HydrophobicContact CE2-CD1 3.77Å; F499-L538 HydrophobicContact CZ-CD1 3.88Å; F499-L542 HydrophobicContact CD1-CD2 3.7Å; F499-L542 HydrophobicContact CE1-CD2 3.85Å; F499-I557 HydrophobicContact CD1-CG2 3.49Å; F499-I557 VanDerWaalsContact CD1-CG2 3.49Å; F499-I557 HydrophobicContact CE1-CG2 3.64Å; F499-A559 WeakPolarHBondContact CA-O 3.34Å; F499-A559 PolarHBondContact N-O 3.42Å; F499-T561 PolarHBondContact N-O 3.48Å; F499-L563 HydrophobicContact CB-CD1 3.88Å; F499-L563 HydrophobicContact CB-CG 4.3Å; F499-L563 HydrophobicContact CD1-CD1 4.01Å; F499-L563 HydrophobicContact CD2-CD1 3.8Å; F499-L563 HydrophobicContact CE2-CD1 4.37Å; F499-L563 HydrophobicContact CG-CD1 3.63Å; F499-A571 HydrophobicContact CE1-CB 3.77Å; F499-A571 HydrophobicContact CE2-CB 4.11Å; F499-A571 HydrophobicContact CZ-CB 3.44Å; F499-A571 VanDerWaalsContact CZ-CB 3.44Å; F499-F572 HydrophobicContact CE2-CB 4.36Å; F499-L575 HydrophobicContact CE1-CD1 3.74Å; F499-L575 HydrophobicContact CZ-CD1 3.73Å
500	S	93.1	Very high	89.4	Confident	56 Å²	56	55.9 Å²	55.9	39%	0.392	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.8	171.7	47.5	0	0	0	0	114.5	P498 A559	P498-S500 VanDerWaalsContact C-N 3.26Å; P498-S500 PolarHBondContact O-N 2.92Å; S500-A559 PolarHBondContact N-O 3.25Å; S500-A559 PolarHBondContact OG-O 3.47Å
501	E	91.9	Very high	89.6	Confident	140 Å²	140	48.7 Å²	48.7	65%	0.654	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-10.3	-173.7	-64.6	-179.2	178.5	0	0	113.4	P498 F499 N503	P498-E501 PolarHBondContact O-N 2.57Å; P498-E501 VanDerWaalsContact O-N 3.09Å; F499-E501 VanDerWaalsContact C-N 3.32Å; F499-E501 PolarHBondContact O-N 2.97Å; E501-N503 PolarHBondContact O-N 3.44Å
502	L	92.4	Very high	90.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.242	C	C	.	.			trans	-63.3	118.3	-169.7	-177	67	0	0	0	112.9	A497 P498 L504 L563	A497-L502 HydrophobicContact CB-CB 4.25Å; A497-L502 HydrophobicContact CB-CD1 3.95Å; P498-L502 WeakPolarHBondContact O-CB 3.46Å; P498-L502 PolarHBondContact O-N 3.2Å; L502-L504 HydrophobicContact CD2-CD2 3.8Å; L502-L504 HydrophobicContact CG-CD2 3.97Å; L502-L504 PolarHBondContact O-N 3.49Å; L502-L563 HydrophobicContact CD2-CB 4.13Å
503	N	90	Very high	90.4	Very high	55 Å²	55	45.4 Å²	45.4	29%	0.294	24%	0.235	S	C	.	.			trans	-77.3	109.3	177.9	-164.7	-21.9	0	0	0	111.9	H493 E501 T505	H493-N503 HydrophobicContact CB-CB 3.97Å; H493-N503 WeakPolarHBondContact CB-ND2 3.43Å; H493-N503 WeakPolarHBondContact O-CB 3.35Å; E501-N503 PolarHBondContact O-N 3.44Å; N503-T505 PolarHBondContact OD1-N 3.33Å
504	L	86.1	Confident	90.7	Very high	12 Å²	12	42 Å²	42	6%	0.063	22%	0.222	C	C	.	.			trans	-92.7	5.3	179.5	-59.9	-178.8	0	0	0	114	L502 C508 W534 L569 F572	L502-L504 HydrophobicContact CD2-CD2 3.8Å; L502-L504 HydrophobicContact CG-CD2 3.97Å; L502-L504 PolarHBondContact O-N 3.49Å; L504-C508 HydrophobicContact CB-CB 3.62Å; L504-C508 WeakPolarHBondContact O-CB 3.5Å; L504-W534 HydrophobicContact CB-CH2 4.38Å; L504-W534 HydrophobicContact CB-CZ3 4.24Å; L504-W534 HydrophobicContact CD1-CZ3 4.45Å; L504-W534 HydrophobicContact CG-CZ3 4.3Å; L504-L569 HydrophobicContact CD1-CD1 4.43Å; L504-L569 HydrophobicContact CD2-CB 4.13Å; L504-F572 HydrophobicContact CD1-CB 3.51Å; L504-F572 HydrophobicContact CD1-CD1 3.62Å; L504-F572 HydrophobicContact CD1-CD2 4.13Å; L504-F572 HydrophobicContact CD1-CE1 4.34Å; L504-F572 HydrophobicContact CD1-CG 3.49Å; L504-F572 VanDerWaalsContact CD1-CG 3.49Å
505	T	84.2	Confident	90.8	Very high	66 Å²	66	45.7 Å²	45.7	41%	0.405	24%	0.24	S	C	.	.			trans	66.1	158.4	-167.7	78.7	0	0	0	0	114.2	N503 K507 C508	N503-T505 PolarHBondContact OD1-N 3.33Å; T505-K507 PolarHBondContact O-N 2.87Å; T505-C508 VanDerWaalsContact O-CB 3.29Å; T505-C508 WeakPolarHBondContact O-CB 3.35Å; T505-C508 PolarHBondContact O-N 3.34Å; T505-C508 VanDerWaalsContact O-N 3.14Å; T505-C508 PolarHBondContact O-SG 2.84Å; T505-C508 VanDerWaalsContact O-SG 3.38Å
506	E	78.8	Confident	90.9	Very high	174 Å²	174	45.5 Å²	45.5	81%	0.813	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-61.8	-27.2	-177.4	-62.3	174.4	165.2	0	0	113.3	C508	E506-C508 VanDerWaalsContact C-N 3.26Å; E506-C508 PolarHBondContact O-N 3Å
507	K	84.5	Confident	90.9	Very high	156 Å²	156	48.8 Å²	48.8	68%	0.678	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-85.6	12.3	179	-61.1	-167.7	178.4	-171.1	0	113.7	T505 L509 D510	T505-K507 PolarHBondContact O-N 2.87Å; K507-L509 PolarHBondContact O-N 3.15Å; K507-D510 WeakPolarHBondContact CB-OD2 3.22Å; K507-D510 WeakPolarHBondContact O-CB 3.44Å; K507-D510 PolarHBondContact O-N 2.75Å
508	C	88.5	Confident	91	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.041	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-62.4	-22.3	178.3	69.1	0	0	0	0	113.6	L504 T505 E506 D510 V512 W534 L569 F572	L504-C508 HydrophobicContact CB-CB 3.62Å; L504-C508 WeakPolarHBondContact O-CB 3.5Å; T505-C508 VanDerWaalsContact O-CB 3.29Å; T505-C508 WeakPolarHBondContact O-CB 3.35Å; T505-C508 PolarHBondContact O-N 3.34Å; T505-C508 VanDerWaalsContact O-N 3.14Å; T505-C508 PolarHBondContact O-SG 2.84Å; T505-C508 VanDerWaalsContact O-SG 3.38Å; E506-C508 VanDerWaalsContact C-N 3.26Å; E506-C508 PolarHBondContact O-N 3Å; C508-D510 VanDerWaalsContact C-N 3.34Å; C508-V512 WeakPolarHBondContact O-CB 3.5Å; C508-W534 WeakPolarHBondContact SG-CB 3.44Å; C508-W534 VanDerWaalsContact SG-CD2 3.56Å; C508-L569 HydrophobicContact CB-CD1 4.36Å; C508-F572 HydrophobicContact CB-CE1 4.1Å
509	L	91.9	Very high	91.1	Very high	21 Å²	21	49.6 Å²	49.6	11%	0.11	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-78.2	-13.9	176	-61.6	-178.7	0	0	0	113.3	K507 G511 V512 Q524 L527 W534 F572	K507-L509 PolarHBondContact O-N 3.15Å; L509-G511 PolarHBondContact O-N 3.44Å; L509-G511 VanDerWaalsContact O-N 3.17Å; L509-V512 HydrophobicContact CD2-CG1 4.41Å; L509-V512 WeakPolarHBondContact O-CG1 3.26Å; L509-V512 PolarHBondContact O-N 3.38Å; L509-Q524 VanDerWaalsContact C-NE2 3.33Å; L509-Q524 HydrophobicContact CB-CG 3.74Å; L509-Q524 HydrophobicContact CD1-CG 3.98Å; L509-Q524 HydrophobicContact CG-CG 4.48Å; L509-Q524 PolarHBondContact O-NE2 3.47Å; L509-L527 HydrophobicContact CD1-CD1 3.97Å; L509-L527 HydrophobicContact CD2-CD1 4.32Å; L509-W534 HydrophobicContact CD1-CB 4.06Å; L509-W534 HydrophobicContact CD2-CB 3.85Å; L509-W534 HydrophobicContact CG-CB 3.87Å; L509-F572 HydrophobicContact CD2-CE1 4.18Å; L509-F572 HydrophobicContact CD2-CZ 3.91Å
510	D	91.6	Very high	91.2	Very high	91 Å²	91	49.7 Å²	49.7	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	109.6	-176.2	-68.9	-16.9	0	0	0	110.8	K507 C508 V512 Q524	K507-D510 WeakPolarHBondContact CB-OD2 3.22Å; K507-D510 WeakPolarHBondContact O-CB 3.44Å; K507-D510 PolarHBondContact O-N 2.75Å; C508-D510 VanDerWaalsContact C-N 3.34Å; D510-V512 PolarHBondContact O-N 2.62Å; D510-Q524 PolarHBondContact OD1-NE2 2.82Å
511	G	89.9	Confident	91.3	Very high	15 Å²	15	52.1 Å²	52.1	16%	0.155	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	27.8	-172.6	0	0	0	0	0	113	L509 L513 N515 S520 K573	L509-G511 PolarHBondContact O-N 3.44Å; L509-G511 VanDerWaalsContact O-N 3.17Å; G511-L513 PolarHBondContact O-N 3.03Å; G511-N515 VanDerWaalsContact O-CA 3.23Å; G511-N515 WeakPolarHBondContact O-CA 3.27Å; G511-N515 PolarHBondContact O-N 3.01Å; G511-S520 VanDerWaalsContact CA-OG 3.28Å; G511-S520 WeakPolarHBondContact CA-OG 3.18Å; G511-K573 PolarHBondContact O-NZ 2.98Å
512	V	93.9	Very high	91.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.5	179.2	69.6	0	0	0	0	111.6	C508 L509 D510 N514 S520 L523 F572 K573 A576	C508-V512 WeakPolarHBondContact O-CB 3.5Å; L509-V512 HydrophobicContact CD2-CG1 4.41Å; L509-V512 WeakPolarHBondContact O-CG1 3.26Å; L509-V512 PolarHBondContact O-N 3.38Å; D510-V512 PolarHBondContact O-N 2.62Å; V512-N514 PolarHBondContact O-N 2.98Å; V512-N514 VanDerWaalsContact O-N 3.16Å; V512-S520 PolarHBondContact N-OG 3.02Å; V512-L523 HydrophobicContact CG1-CD2 4.05Å; V512-F572 HydrophobicContact CG2-CD1 3.93Å; V512-F572 HydrophobicContact CG2-CE1 3.67Å; V512-K573 HydrophobicContact CG2-CG 3.87Å; V512-K573 WeakPolarHBondContact O-CB 3.23Å; V512-K573 WeakPolarHBondContact O-CD 3.45Å; V512-K573 VanDerWaalsContact O-CG 3.24Å; V512-K573 WeakPolarHBondContact O-CG 3.3Å; V512-A576 HydrophobicContact CG1-CB 4.46Å; V512-A576 HydrophobicContact CG2-CB 3.72Å
513	L	94.6	Very high	91.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	90.6	178.6	-58.4	-175.8	0	0	0	110.7	G511 N515 N516 E519 S520 L523 A576 R580 I619	G511-L513 PolarHBondContact O-N 3.03Å; L513-N515 PolarHBondContact O-N 3.38Å; L513-N516 VanDerWaalsContact O-CB 3.24Å; L513-N516 WeakPolarHBondContact O-CB 3.29Å; L513-N516 PolarHBondContact O-N 3.39Å; L513-E519 HydrophobicContact CB-CB 4.33Å; L513-E519 HydrophobicContact CD1-CB 3.89Å; L513-E519 WeakPolarHBondContact CD1-O 3.34Å; L513-S520 PolarHBondContact N-OG 3.31Å; L513-S520 VanDerWaalsContact N-OG 3.15Å; L513-L523 HydrophobicContact CD1-CB 4.17Å; L513-L523 HydrophobicContact CD1-CD2 4.13Å; L513-L523 HydrophobicContact CD2-CD2 4.1Å; L513-L523 HydrophobicContact CG-CD2 4.18Å; L513-A576 HydrophobicContact CD2-CB 4.23Å; L513-R580 HydrophobicContact CD1-CB 4.02Å; L513-R580 HydrophobicContact CD1-CG 3.64Å; L513-R580 HydrophobicContact CD2-CB 4.25Å; L513-I619 HydrophobicContact CD1-CD1 4.01Å
514	N	92.6	Very high	91.9	Very high	50 Å²	50	46.2 Å²	46.2	27%	0.267	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	20.9	175.2	-55.9	-41.7	0	0	0	115.3	V512 N516 Y577	V512-N514 PolarHBondContact O-N 2.98Å; V512-N514 VanDerWaalsContact O-N 3.16Å; N514-N516 VanDerWaalsContact C-N 3.25Å; N514-N516 PolarHBondContact O-N 3.18Å; N514-Y577 WeakPolarHBondContact ND2-CD2 3.46Å
515	N	92.3	Very high	92.3	Very high	80 Å²	80	50.2 Å²	50.2	43%	0.428	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	25.2	-171.2	-35.2	-77.5	0	0	0	114.1	G511 L513 K573 V608	G511-N515 VanDerWaalsContact O-CA 3.23Å; G511-N515 WeakPolarHBondContact O-CA 3.27Å; G511-N515 PolarHBondContact O-N 3.01Å; L513-N515 PolarHBondContact O-N 3.38Å; N515-K573 PolarHBondContact OD1-NZ 2.99Å; N515-K573 VanDerWaalsContact OD1-NZ 3.14Å; N515-V608 HydrophobicContact CB-CG1 4.42Å
516	N	95.1	Very high	92.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.			trans	-83.6	112.7	165	-175	-32.7	0	0	0	109	L513 N514 Y518 E519 S520 Q607 A613 H618	L513-N516 VanDerWaalsContact O-CB 3.24Å; L513-N516 WeakPolarHBondContact O-CB 3.29Å; L513-N516 PolarHBondContact O-N 3.39Å; N514-N516 VanDerWaalsContact C-N 3.25Å; N514-N516 PolarHBondContact O-N 3.18Å; N516-Y518 PolarHBondContact OD1-N 3.23Å; N516-E519 HydrophobicContact CB-CB 4.3Å; N516-E519 HydrophobicContact CB-CG 4.49Å; N516-E519 WeakPolarHBondContact ND2-CG 3.43Å; N516-E519 PolarHBondContact OD1-N 3.12Å; N516-S520 VanDerWaalsContact O-CB 3.32Å; N516-S520 WeakPolarHBondContact O-CB 3.34Å; N516-S520 PolarHBondContact O-N 3.4Å; N516-S520 PolarHBondContact O-OG 3.16Å; N516-Q607 HydrophobicContact CB-CB 4.33Å; N516-Q607 HydrophobicContact CB-CG 3.97Å; N516-A613 VanDerWaalsContact OD1-CB 3.32Å; N516-A613 WeakPolarHBondContact OD1-CB 3.47Å; N516-H618 PolarHBondContact ND2-ND1 3.2Å; N516-H618 VanDerWaalsContact ND2-ND1 3.11Å
517	A	94.6	Very high	93.6	Very high	68 Å²	68	40.2 Å²	40.2	56%	0.562	21%	0.211	S	C	*	.	H	α-helix	trans	-64.4	-45.8	-180	0	0	0	0	0	112.1	S520 E521	A517-S520 PolarHBondContact O-N 3.09Å; A517-E521 WeakPolarHBondContact O-CB 3.41Å; A517-E521 PolarHBondContact O-N 3.49Å
518	Y	95.9	Very high	94.1	Very high	49 Å²	49	37 Å²	37	19%	0.192	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-46.1	-174.8	-178.5	-98.6	0	0	0	112.9	N516 S520 E521 V522 V614	N516-Y518 PolarHBondContact OD1-N 3.23Å; Y518-S520 VanDerWaalsContact C-N 3.28Å; Y518-S520 PolarHBondContact O-N 2.9Å; Y518-E521 WeakPolarHBondContact O-CB 3.49Å; Y518-E521 PolarHBondContact O-N 3.14Å; Y518-V522 HydrophobicContact CD1-CG2 4.47Å; Y518-V522 HydrophobicContact CE1-CG2 4.14Å; Y518-V522 WeakPolarHBondContact O-CG2 3.4Å; Y518-V522 PolarHBondContact O-N 3.27Å; Y518-V614 HydrophobicContact CD2-CG2 3.66Å; Y518-V614 HydrophobicContact CE2-CG2 3.98Å; Y518-V614 HydrophobicContact CG-CG2 4.1Å
519	E	96.6	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.3	-33.7	175.7	-66.3	-67.8	168.4	0	0	111.7	L513 N516 V522 L523 R580 R595 I619	L513-E519 HydrophobicContact CB-CB 4.33Å; L513-E519 HydrophobicContact CD1-CB 3.89Å; L513-E519 WeakPolarHBondContact CD1-O 3.34Å; N516-E519 HydrophobicContact CB-CB 4.3Å; N516-E519 HydrophobicContact CB-CG 4.49Å; N516-E519 WeakPolarHBondContact ND2-CG 3.43Å; N516-E519 PolarHBondContact OD1-N 3.12Å; E519-V522 PolarHBondContact O-N 3.41Å; E519-L523 PolarHBondContact O-N 2.92Å; E519-R580 IonicContact OE2-CZ 2.66Å; E519-R580 IonicContact OE2-NE 3.38Å; E519-R580 IonicContact OE2-NH2 2.65Å; E519-R580 PolarHBondContact OE2-NH2 2.83Å; E519-R595 IonicContact OE1-CZ 2.76Å; E519-R595 IonicContact OE1-NH1 2.75Å; E519-R595 PolarHBondContact OE1-NH1 2.86Å; E519-R595 IonicContact OE1-NH2 2.84Å; E519-R595 PolarHBondContact OE1-NH2 3.48Å; E519-R595 IonicContact OE2-NH2 2.63Å; E519-I619 HydrophobicContact CB-CD1 4.19Å; E519-I619 HydrophobicContact CG-CD1 4.12Å; E519-I619 HydrophobicContact CG-CG1 4.21Å; E519-I619 WeakPolarHBondContact OE2-CG1 3.32Å
520	S	95.9	Very high	94.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-39.9	176.2	-55.7	0	0	0	0	111.3	G511 V512 L513 N516 A517 Y518 L523 Q524	G511-S520 VanDerWaalsContact CA-OG 3.28Å; G511-S520 WeakPolarHBondContact CA-OG 3.18Å; V512-S520 PolarHBondContact N-OG 3.02Å; L513-S520 PolarHBondContact N-OG 3.31Å; L513-S520 VanDerWaalsContact N-OG 3.15Å; N516-S520 VanDerWaalsContact O-CB 3.32Å; N516-S520 WeakPolarHBondContact O-CB 3.34Å; N516-S520 PolarHBondContact O-N 3.4Å; N516-S520 PolarHBondContact O-OG 3.16Å; A517-S520 PolarHBondContact O-N 3.09Å; Y518-S520 VanDerWaalsContact C-N 3.28Å; Y518-S520 PolarHBondContact O-N 2.9Å; S520-L523 PolarHBondContact O-N 3.38Å; S520-Q524 WeakPolarHBondContact O-CG 3.35Å; S520-Q524 PolarHBondContact O-N 2.88Å
521	E	95.6	Very high	94.7	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-42.4	172.5	-172.7	-169.5	158.1	0	0	111.5	A517 Y518 L523 Q524 N525	A517-E521 WeakPolarHBondContact O-CB 3.41Å; A517-E521 PolarHBondContact O-N 3.49Å; Y518-E521 WeakPolarHBondContact O-CB 3.49Å; Y518-E521 PolarHBondContact O-N 3.14Å; E521-L523 VanDerWaalsContact C-N 3.31Å; E521-L523 PolarHBondContact O-N 3.38Å; E521-Q524 PolarHBondContact O-N 3.34Å; E521-N525 WeakPolarHBondContact O-CB 3.29Å; E521-N525 PolarHBondContact O-N 3.43Å; E521-N525 PolarHBondContact O-ND2 3.35Å; E521-N525 VanDerWaalsContact O-ND2 3.15Å
522	V	95.6	Very high	95	Very high	16 Å²	16	45.7 Å²	45.7	10%	0.097	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-42	172.1	166.3	0	0	0	0	111.5	Y518 E519 Y526 L588 V592	Y518-V522 HydrophobicContact CD1-CG2 4.47Å; Y518-V522 HydrophobicContact CE1-CG2 4.14Å; Y518-V522 WeakPolarHBondContact O-CG2 3.4Å; Y518-V522 PolarHBondContact O-N 3.27Å; E519-V522 PolarHBondContact O-N 3.41Å; V522-Y526 WeakPolarHBondContact O-CB 3.35Å; V522-Y526 PolarHBondContact O-N 2.92Å; V522-L588 HydrophobicContact CG1-CD2 4.27Å; V522-V592 HydrophobicContact CG1-CG1 3.9Å; V522-V592 HydrophobicContact CG1-CG2 4.27Å; V522-V592 HydrophobicContact CG2-CG1 4.35Å; V522-V592 HydrophobicContact CG2-CG2 3.79Å
523	L	96.2	Very high	95	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-69.7	-41.8	176.1	179.9	61.5	0	0	0	112.3	V512 L513 E519 S520 E521 Y526 L527 L537 A576 Y579 R580 I583	V512-L523 HydrophobicContact CG1-CD2 4.05Å; L513-L523 HydrophobicContact CD1-CB 4.17Å; L513-L523 HydrophobicContact CD1-CD2 4.13Å; L513-L523 HydrophobicContact CD2-CD2 4.1Å; L513-L523 HydrophobicContact CG-CD2 4.18Å; E519-L523 PolarHBondContact O-N 2.92Å; S520-L523 PolarHBondContact O-N 3.38Å; E521-L523 VanDerWaalsContact C-N 3.31Å; E521-L523 PolarHBondContact O-N 3.38Å; L523-Y526 PolarHBondContact O-N 3.34Å; L523-L527 HydrophobicContact CD1-CD1 4.42Å; L523-L527 HydrophobicContact CD1-CG 4.39Å; L523-L527 HydrophobicContact CG-CD1 4.23Å; L523-L527 WeakPolarHBondContact O-CG 3.34Å; L523-L527 PolarHBondContact O-N 3.44Å; L523-L537 HydrophobicContact CD1-CD1 4.04Å; L523-L537 HydrophobicContact CD2-CD1 4.02Å; L523-L537 HydrophobicContact CG-CD1 4.34Å; L523-A576 HydrophobicContact CD2-CB 4.35Å; L523-Y579 HydrophobicContact CD1-CD1 4.16Å; L523-R580 HydrophobicContact CD1-CB 4.38Å; L523-R580 HydrophobicContact CD2-CB 4.48Å; L523-I583 HydrophobicContact CD1-CD1 3.98Å
524	Q	95.1	Very high	95	Very high	55 Å²	55	50.3 Å²	50.3	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-49	175.1	-73.1	-178.5	22.5	0	0	110.6	L509 D510 S520 E521 Y526 L527 S528	L509-Q524 VanDerWaalsContact C-NE2 3.33Å; L509-Q524 HydrophobicContact CB-CG 3.74Å; L509-Q524 HydrophobicContact CD1-CG 3.98Å; L509-Q524 HydrophobicContact CG-CG 4.48Å; L509-Q524 PolarHBondContact O-NE2 3.47Å; D510-Q524 PolarHBondContact OD1-NE2 2.82Å; S520-Q524 WeakPolarHBondContact O-CG 3.35Å; S520-Q524 PolarHBondContact O-N 2.88Å; E521-Q524 PolarHBondContact O-N 3.34Å; Q524-Y526 PolarHBondContact O-N 2.59Å; Q524-L527 PolarHBondContact O-N 3.24Å; Q524-S528 PolarHBondContact O-N 2.84Å; Q524-S528 PolarHBondContact O-OG 3.43Å
525	N	95.1	Very high	95	Very high	96 Å²	96	53.6 Å²	53.6	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-40.3	177.5	-75.6	-38.2	0	0	0	112.7	E521 A529	E521-N525 WeakPolarHBondContact O-CB 3.29Å; E521-N525 PolarHBondContact O-N 3.43Å; E521-N525 PolarHBondContact O-ND2 3.35Å; E521-N525 VanDerWaalsContact O-ND2 3.15Å; N525-A529 VanDerWaalsContact O-CB 3.27Å; N525-A529 WeakPolarHBondContact O-CB 3.18Å; N525-A529 PolarHBondContact O-N 2.93Å
526	Y	95.6	Very high	95.1	Very high	28 Å²	28	52.5 Å²	52.5	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-45	173.6	171.5	-91.5	0	0	0	112	V522 L523 Q524 A529 K530 Y579 I583 E587 L588	V522-Y526 WeakPolarHBondContact O-CB 3.35Å; V522-Y526 PolarHBondContact O-N 2.92Å; L523-Y526 PolarHBondContact O-N 3.34Å; Q524-Y526 PolarHBondContact O-N 2.59Å; Y526-A529 PolarHBondContact O-N 2.96Å; Y526-K530 HydrophobicContact CE1-CG 4.16Å; Y526-K530 HydrophobicContact CE2-CG 4.2Å; Y526-K530 VanDerWaalsContact O-CG 3.29Å; Y526-K530 WeakPolarHBondContact O-CG 3.45Å; Y526-K530 PolarHBondContact O-N 2.97Å; Y526-K530 VanDerWaalsContact O-N 3.1Å; Y526-Y579 HydrophobicContact CE1-CE1 4Å; Y526-I583 HydrophobicContact CD1-CD1 3.57Å; Y526-I583 HydrophobicContact CD1-CG1 4.45Å; Y526-I583 HydrophobicContact CD2-CD1 4.25Å; Y526-I583 HydrophobicContact CD2-CG2 3.98Å; Y526-I583 HydrophobicContact CE1-CD1 3.66Å; Y526-I583 HydrophobicContact CE1-CG1 4.06Å; Y526-I583 HydrophobicContact CE2-CD1 4.34Å; Y526-I583 HydrophobicContact CE2-CG2 3.57Å; Y526-I583 HydrophobicContact CG-CD1 3.88Å; Y526-E587 HydrophobicContact CE2-CB 4.15Å; Y526-L588 HydrophobicContact CD2-CD2 4.41Å
527	L	95.4	Very high	95.1	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-47	178	-71	170.1	0	0	0	111.5	L509 L523 Q524 A529 K530 G531 K532 L537 Y579	L509-L527 HydrophobicContact CD1-CD1 3.97Å; L509-L527 HydrophobicContact CD2-CD1 4.32Å; L523-L527 HydrophobicContact CD1-CD1 4.42Å; L523-L527 HydrophobicContact CD1-CG 4.39Å; L523-L527 HydrophobicContact CG-CD1 4.23Å; L523-L527 WeakPolarHBondContact O-CG 3.34Å; L523-L527 PolarHBondContact O-N 3.44Å; Q524-L527 PolarHBondContact O-N 3.24Å; L527-A529 PolarHBondContact O-N 2.97Å; L527-K530 CarbonylContact O-C 3.57Å; L527-K530 WeakPolarHBondContact O-CA 3.16Å; L527-K530 PolarHBondContact O-N 3.11Å; L527-G531 PolarHBondContact O-N 2.83Å; L527-K532 HydrophobicContact CB-CB 4.42Å; L527-K532 HydrophobicContact CD2-CB 3.8Å; L527-K532 HydrophobicContact CD2-CD 4.34Å; L527-K532 PolarHBondContact O-N 2.94Å; L527-L537 HydrophobicContact CD1-CB 4.44Å; L527-L537 HydrophobicContact CD1-CD1 3.87Å; L527-L537 HydrophobicContact CD2-CB 4.15Å; L527-L537 HydrophobicContact CD2-CD1 4.16Å; L527-L537 HydrophobicContact CG-CD1 4.48Å; L527-Y579 HydrophobicContact CD2-CE1 4.33Å
528	S	94.9	Very high	95.1	Very high	87 Å²	87	49.4 Å²	49.4	61%	0.608	28%	0.278	S	S	*	.	H	α-helix	trans	-59.6	-42.8	175.5	-61.5	0	0	0	0	112.5	Q524 K530 G531	Q524-S528 PolarHBondContact O-N 2.84Å; Q524-S528 PolarHBondContact O-OG 3.43Å; S528-K530 PolarHBondContact O-N 2.81Å; S528-G531 PolarHBondContact O-N 3.35Å
529	A	95.1	Very high	95.1	Very high	90 Å²	90	53.6 Å²	53.6	74%	0.744	30%	0.299	S	S	*	.	H	α-helix	trans	-65.7	-21.8	175.8	0	0	0	0	0	113.6	N525 Y526 L527	N525-A529 VanDerWaalsContact O-CB 3.27Å; N525-A529 WeakPolarHBondContact O-CB 3.18Å; N525-A529 PolarHBondContact O-N 2.93Å; Y526-A529 PolarHBondContact O-N 2.96Å; L527-A529 PolarHBondContact O-N 2.97Å
530	K	94.4	Very high	95	Very high	101 Å²	101	56.9 Å²	56.9	44%	0.439	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.4	173.4	-66.6	-71.6	-174.3	171.8	0	113.6	Y526 L527 S528 K532 E587	Y526-K530 HydrophobicContact CE1-CG 4.16Å; Y526-K530 HydrophobicContact CE2-CG 4.2Å; Y526-K530 VanDerWaalsContact O-CG 3.29Å; Y526-K530 WeakPolarHBondContact O-CG 3.45Å; Y526-K530 PolarHBondContact O-N 2.97Å; Y526-K530 VanDerWaalsContact O-N 3.1Å; L527-K530 CarbonylContact O-C 3.57Å; L527-K530 WeakPolarHBondContact O-CA 3.16Å; L527-K530 PolarHBondContact O-N 3.11Å; S528-K530 PolarHBondContact O-N 2.81Å; K530-K532 HydrophobicContact CB-CD 4.2Å; K530-K532 HydrophobicContact CB-CG 4.01Å; K530-K532 PolarHBondContact O-N 2.71Å; K530-E587 WeakPolarHBondContact CE-OE2 3.48Å; K530-E587 IonicContact NZ-OE2 2.7Å; K530-E587 PolarHBondContact NZ-OE2 3.24Å
531	G	94.9	Very high	94.9	Very high	69 Å²	69	56.8 Å²	56.8	71%	0.711	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	19.2	-173.8	0	0	0	0	0	114.6	L527 S528	L527-G531 PolarHBondContact O-N 2.83Å; S528-G531 PolarHBondContact O-N 3.35Å
532	K	94.7	Very high	94.8	Very high	57 Å²	57	52.4 Å²	52.4	25%	0.248	29%	0.293	C	S	.	.			trans	-97.1	146.3	-175.4	-67.4	-174.5	-176.1	-175.2	0	112.3	L527 K530 D536 E540 Y579	L527-K532 HydrophobicContact CB-CB 4.42Å; L527-K532 HydrophobicContact CD2-CB 3.8Å; L527-K532 HydrophobicContact CD2-CD 4.34Å; L527-K532 PolarHBondContact O-N 2.94Å; K530-K532 HydrophobicContact CB-CD 4.2Å; K530-K532 HydrophobicContact CB-CG 4.01Å; K530-K532 PolarHBondContact O-N 2.71Å; K532-D536 HydrophobicContact CB-CB 4.18Å; K532-D536 HydrophobicContact CG-CB 4.35Å; K532-E540 VanDerWaalsContact CE-OE1 3.24Å; K532-E540 WeakPolarHBondContact CE-OE1 3.43Å; K532-E540 IonicContact NZ-OE1 2.73Å; K532-E540 PolarHBondContact NZ-OE1 2.69Å; K532-E540 IonicContact NZ-OE2 2.81Å; K532-E540 PolarHBondContact NZ-OE2 2.77Å; K532-Y579 PolarHBondContact NZ-OH 2.78Å
533	T	94.8	Very high	94.6	Very high	71 Å²	71	56.6 Å²	56.6	44%	0.436	31%	0.312	S	S	.	.			trans	-95.7	175.9	171.3	76.1	0	0	0	0	111.6	K535 D536 L537	T533-K535 PolarHBondContact O-N 2.82Å; T533-K535 PolarHBondContact OG1-N 3.48Å; T533-K535 VanDerWaalsContact OG1-N 3.13Å; T533-D536 WeakPolarHBondContact CA-OD2 3.22Å; T533-D536 VanDerWaalsContact CB-OD2 3.25Å; T533-D536 WeakPolarHBondContact CB-OD2 3.29Å; T533-D536 WeakPolarHBondContact CG2-OD2 3.41Å; T533-D536 PolarHBondContact N-OD2 3.12Å; T533-D536 PolarHBondContact O-N 2.91Å; T533-D536 PolarHBondContact OG1-N 2.97Å; T533-D536 PolarHBondContact OG1-OD2 3.3Å; T533-L537 PolarHBondContact O-N 2.71Å
534	W	93.8	Very high	94.3	Very high	27 Å²	27	56.8 Å²	56.8	10%	0.102	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-25.2	170.7	69	-100.2	0	0	0	113.3	L504 C508 L509 L538 F572	L504-W534 HydrophobicContact CB-CH2 4.38Å; L504-W534 HydrophobicContact CB-CZ3 4.24Å; L504-W534 HydrophobicContact CD1-CZ3 4.45Å; L504-W534 HydrophobicContact CG-CZ3 4.3Å; C508-W534 WeakPolarHBondContact SG-CB 3.44Å; C508-W534 VanDerWaalsContact SG-CD2 3.56Å; L509-W534 HydrophobicContact CD1-CB 4.06Å; L509-W534 HydrophobicContact CD2-CB 3.85Å; L509-W534 HydrophobicContact CG-CB 3.87Å; W534-L538 HydrophobicContact CZ3-CD2 4.08Å; W534-L538 WeakPolarHBondContact O-CB 3.45Å; W534-L538 PolarHBondContact O-N 3.49Å; W534-F572 HydrophobicContact CB-CZ 4.13Å
535	K	93.8	Very high	94.1	Very high	119 Å²	119	55.9 Å²	55.9	52%	0.517	31%	0.311	S	S	.	.	H	α-helix	trans	-71.5	-41.1	176.1	-68.5	-174	173	-172	0	111.3	T533 L537 L538 Q539	T533-K535 PolarHBondContact O-N 2.82Å; T533-K535 PolarHBondContact OG1-N 3.48Å; T533-K535 VanDerWaalsContact OG1-N 3.13Å; K535-L537 VanDerWaalsContact C-N 3.34Å; K535-L538 WeakPolarHBondContact O-CB 3.33Å; K535-L538 PolarHBondContact O-N 2.65Å; K535-L538 VanDerWaalsContact O-N 3.14Å; K535-Q539 WeakPolarHBondContact O-CB 3.23Å; K535-Q539 PolarHBondContact O-N 3.33Å
536	D	94.8	Very high	93.7	Very high	56 Å²	56	59.7 Å²	59.7	30%	0.299	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-40.1	177.8	-49.2	-68.7	0	0	0	110.4	K532 T533 L538 Q539 E540	K532-D536 HydrophobicContact CB-CB 4.18Å; K532-D536 HydrophobicContact CG-CB 4.35Å; T533-D536 WeakPolarHBondContact CA-OD2 3.22Å; T533-D536 VanDerWaalsContact CB-OD2 3.25Å; T533-D536 WeakPolarHBondContact CB-OD2 3.29Å; T533-D536 WeakPolarHBondContact CG2-OD2 3.41Å; T533-D536 PolarHBondContact N-OD2 3.12Å; T533-D536 PolarHBondContact O-N 2.91Å; T533-D536 PolarHBondContact OG1-N 2.97Å; T533-D536 PolarHBondContact OG1-OD2 3.3Å; D536-L538 PolarHBondContact O-N 2.82Å; D536-Q539 PolarHBondContact O-N 3Å; D536-E540 WeakPolarHBondContact O-CB 3.36Å; D536-E540 WeakPolarHBondContact O-CG 3.3Å; D536-E540 PolarHBondContact O-N 2.85Å
537	L	94.9	Very high	93.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-44.8	170	-178.5	150.9	0	0	0	111.7	L523 L527 T533 K535 S541 F572 A576 Y579	L523-L537 HydrophobicContact CD1-CD1 4.04Å; L523-L537 HydrophobicContact CD2-CD1 4.02Å; L523-L537 HydrophobicContact CG-CD1 4.34Å; L527-L537 HydrophobicContact CD1-CB 4.44Å; L527-L537 HydrophobicContact CD1-CD1 3.87Å; L527-L537 HydrophobicContact CD2-CB 4.15Å; L527-L537 HydrophobicContact CD2-CD1 4.16Å; L527-L537 HydrophobicContact CG-CD1 4.48Å; T533-L537 PolarHBondContact O-N 2.71Å; K535-L537 VanDerWaalsContact C-N 3.34Å; L537-S541 WeakPolarHBondContact O-CB 3.49Å; L537-S541 PolarHBondContact O-N 2.87Å; L537-S541 PolarHBondContact O-OG 3.44Å; L537-F572 HydrophobicContact CD2-CD2 4.33Å; L537-F572 HydrophobicContact CD2-CE2 3.52Å; L537-F572 HydrophobicContact CD2-CZ 4.04Å; L537-A576 HydrophobicContact CD2-CB 3.99Å; L537-Y579 HydrophobicContact CD1-CD1 3.52Å; L537-Y579 HydrophobicContact CD1-CD2 4.48Å; L537-Y579 HydrophobicContact CD1-CE1 3.94Å; L537-Y579 HydrophobicContact CD1-CG 3.83Å; L537-Y579 HydrophobicContact CG-CD1 3.96Å; L537-Y579 HydrophobicContact CG-CD2 4.02Å; L537-Y579 HydrophobicContact CG-CE1 4.28Å; L537-Y579 HydrophobicContact CG-CE2 4.33Å; L537-Y579 HydrophobicContact CG-CG 3.82Å
538	L	94.8	Very high	93	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-46.7	178.6	172.6	60	0	0	0	111.1	F499 W534 K535 D536 S541 L542 F572 L575	F499-L538 HydrophobicContact CD2-CD1 4.28Å; F499-L538 HydrophobicContact CE1-CD1 4.49Å; F499-L538 HydrophobicContact CE2-CD1 3.77Å; F499-L538 HydrophobicContact CZ-CD1 3.88Å; W534-L538 HydrophobicContact CZ3-CD2 4.08Å; W534-L538 WeakPolarHBondContact O-CB 3.45Å; W534-L538 PolarHBondContact O-N 3.49Å; K535-L538 WeakPolarHBondContact O-CB 3.33Å; K535-L538 PolarHBondContact O-N 2.65Å; K535-L538 VanDerWaalsContact O-N 3.14Å; D536-L538 PolarHBondContact O-N 2.82Å; L538-S541 PolarHBondContact O-N 3.04Å; L538-L542 HydrophobicContact CD1-CD1 3.84Å; L538-L542 HydrophobicContact CD1-CG 4.02Å; L538-L542 HydrophobicContact CG-CD1 4.03Å; L538-L542 WeakPolarHBondContact O-CB 3.18Å; L538-L542 VanDerWaalsContact O-CG 3.31Å; L538-L542 WeakPolarHBondContact O-CG 3.31Å; L538-L542 PolarHBondContact O-N 2.95Å; L538-F572 HydrophobicContact CB-CD2 4.15Å; L538-F572 HydrophobicContact CB-CE2 3.98Å; L538-F572 HydrophobicContact CD1-CD2 4.06Å; L538-L575 HydrophobicContact CD1-CD1 4.03Å
539	Q	94.5	Very high	92.5	Very high	136 Å²	136	67.5 Å²	67.5	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-64.2	-47.9	179.5	-175.3	172.9	-9.4	0	0	112	K535 D536 S541 L542 Q543	K535-Q539 WeakPolarHBondContact O-CB 3.23Å; K535-Q539 PolarHBondContact O-N 3.33Å; D536-Q539 PolarHBondContact O-N 3Å; Q539-S541 PolarHBondContact O-N 2.81Å; Q539-L542 PolarHBondContact O-N 2.97Å; Q539-Q543 PolarHBondContact O-N 3.15Å
540	E	94.8	Very high	92.2	Very high	70 Å²	70	64 Å²	64	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-34	174.6	-72.7	177	-175.8	0	0	112	K532 D536 G544 Y579	K532-E540 VanDerWaalsContact CE-OE1 3.24Å; K532-E540 WeakPolarHBondContact CE-OE1 3.43Å; K532-E540 IonicContact NZ-OE1 2.73Å; K532-E540 PolarHBondContact NZ-OE1 2.69Å; K532-E540 IonicContact NZ-OE2 2.81Å; K532-E540 PolarHBondContact NZ-OE2 2.77Å; D536-E540 WeakPolarHBondContact O-CB 3.36Å; D536-E540 WeakPolarHBondContact O-CG 3.3Å; D536-E540 PolarHBondContact O-N 2.85Å; E540-G544 PolarHBondContact O-N 2.86Å; E540-Y579 HydrophobicContact CB-CE2 3.89Å; E540-Y579 VanDerWaalsContact OE2-CE2 3.24Å; E540-Y579 WeakPolarHBondContact OE2-CE2 3.49Å; E540-Y579 PolarHBondContact OE2-OH 3.35Å
541	S	93.9	Very high	91.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-75.9	-31.4	177.2	-57.4	0	0	0	0	113.4	L537 L538 Q539 G544 L545 Y579	L537-S541 WeakPolarHBondContact O-CB 3.49Å; L537-S541 PolarHBondContact O-N 2.87Å; L537-S541 PolarHBondContact O-OG 3.44Å; L538-S541 PolarHBondContact O-N 3.04Å; Q539-S541 PolarHBondContact O-N 2.81Å; S541-G544 PolarHBondContact O-N 3.45Å; S541-L545 WeakPolarHBondContact O-CB 3.33Å; S541-L545 PolarHBondContact O-N 3.46Å; S541-Y579 WeakPolarHBondContact OG-CD2 3.23Å
542	L	93	Very high	91.1	Very high	14 Å²	14	63 Å²	63	7%	0.073	32%	0.315	C	S	.	.	H	α-helix	trans	-71.8	-38.3	172.1	-74.2	171.9	0	0	0	111.4	F499 L538 Q539 L545 Q546 A559 L575	F499-L542 HydrophobicContact CD1-CD2 3.7Å; F499-L542 HydrophobicContact CE1-CD2 3.85Å; L538-L542 HydrophobicContact CD1-CD1 3.84Å; L538-L542 HydrophobicContact CD1-CG 4.02Å; L538-L542 HydrophobicContact CG-CD1 4.03Å; L538-L542 WeakPolarHBondContact O-CB 3.18Å; L538-L542 VanDerWaalsContact O-CG 3.31Å; L538-L542 WeakPolarHBondContact O-CG 3.31Å; L538-L542 PolarHBondContact O-N 2.95Å; Q539-L542 PolarHBondContact O-N 2.97Å; L542-L545 HydrophobicContact CD2-CD2 4.29Å; L542-L545 WeakPolarHBondContact O-CB 3.18Å; L542-L545 PolarHBondContact O-N 2.97Å; L542-Q546 PolarHBondContact O-N 3.17Å; L542-A559 HydrophobicContact CB-CB 4.48Å; L542-A559 HydrophobicContact CD1-CB 4.07Å; L542-A559 HydrophobicContact CD2-CB 4.35Å; L542-L575 HydrophobicContact CD2-CD1 4.07Å; L542-L575 HydrophobicContact CG-CD1 4.28Å
543	Q	92.9	Very high	90.5	Very high	105 Å²	105	66 Å²	66	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-46.3	168.8	-179.3	176.6	-8.7	0	0	110.8	Q539 L545 Q546 E547	Q539-Q543 PolarHBondContact O-N 3.15Å; Q543-L545 PolarHBondContact O-N 3.37Å; Q543-Q546 PolarHBondContact O-N 2.86Å; Q543-Q546 VanDerWaalsContact O-N 3.14Å; Q543-E547 HydrophobicContact CG-CG 4.31Å; Q543-E547 WeakPolarHBondContact CG-OE1 3.41Å; Q543-E547 PolarHBondContact NE2-OE1 2.82Å; Q543-E547 WeakPolarHBondContact O-CB 3.1Å; Q543-E547 WeakPolarHBondContact O-CG 3.35Å; Q543-E547 PolarHBondContact O-N 2.87Å
544	G	89.6	Confident	89.8	Confident	5 Å²	5	64.4 Å²	64.4	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-29	175.1	0	0	0	0	0	114.1	E540 S541 G548 K549 F550	E540-G544 PolarHBondContact O-N 2.86Å; S541-G544 PolarHBondContact O-N 3.45Å; G544-G548 PolarHBondContact O-N 3.23Å; G544-K549 WeakPolarHBondContact O-CA 3.35Å; G544-K549 WeakPolarHBondContact O-CB 3.37Å; G544-K549 PolarHBondContact O-N 2.85Å; G544-F550 PolarHBondContact O-N 2.93Å
545	L	89.6	Confident	88.9	Confident	36 Å²	36	69 Å²	69	19%	0.188	36%	0.362	C	S	.	.	H	α-helix	trans	-74.2	-43.9	172.6	179.9	62.5	0	0	0	111.7	S541 L542 Q543 E547 G548 F550 L552 I557 L575	S541-L545 WeakPolarHBondContact O-CB 3.33Å; S541-L545 PolarHBondContact O-N 3.46Å; L542-L545 HydrophobicContact CD2-CD2 4.29Å; L542-L545 WeakPolarHBondContact O-CB 3.18Å; L542-L545 PolarHBondContact O-N 2.97Å; Q543-L545 PolarHBondContact O-N 3.37Å; L545-E547 VanDerWaalsContact C-N 3.32Å; L545-E547 PolarHBondContact O-N 3.25Å; L545-G548 PolarHBondContact O-N 3.1Å; L545-G548 VanDerWaalsContact O-N 3.09Å; L545-F550 VanDerWaalsContact CD1-O 3.26Å; L545-F550 WeakPolarHBondContact CD1-O 3.47Å; L545-L552 HydrophobicContact CD1-CD1 4.48Å; L545-L552 HydrophobicContact CD1-CG 4.31Å; L545-L552 HydrophobicContact CD2-CD1 3.77Å; L545-L552 HydrophobicContact CD2-CG 4.42Å; L545-I557 WeakPolarHBondContact CD2-O 3.33Å; L545-L575 HydrophobicContact CD2-CD2 4.49Å
546	Q	88.4	Confident	88.2	Confident	175 Å²	175	71.2 Å²	71.2	82%	0.818	37%	0.367	S	S	*	.	H	α-helix	trans	-64.4	-35.4	175.6	-174.4	177.8	3.4	0	0	112.6	L542 Q543 G548	L542-Q546 PolarHBondContact O-N 3.17Å; Q543-Q546 PolarHBondContact O-N 2.86Å; Q543-Q546 VanDerWaalsContact O-N 3.14Å; Q546-G548 PolarHBondContact O-N 2.86Å
547	E	89.2	Confident	87.9	Confident	90 Å²	90	69.3 Å²	69.3	42%	0.421	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.1	174.1	-67.5	175.5	-179	0	0	113.4	Q543 L545 K549	Q543-E547 HydrophobicContact CG-CG 4.31Å; Q543-E547 WeakPolarHBondContact CG-OE1 3.41Å; Q543-E547 PolarHBondContact NE2-OE1 2.82Å; Q543-E547 WeakPolarHBondContact O-CB 3.1Å; Q543-E547 WeakPolarHBondContact O-CG 3.35Å; Q543-E547 PolarHBondContact O-N 2.87Å; L545-E547 VanDerWaalsContact C-N 3.32Å; L545-E547 PolarHBondContact O-N 3.25Å; E547-K549 HydrophobicContact CB-CD 4.27Å; E547-K549 HydrophobicContact CB-CG 4.27Å; E547-K549 PolarHBondContact O-N 2.69Å; E547-K549 WeakPolarHBondContact OE2-CD 3.44Å; E547-K549 WeakPolarHBondContact OE2-CE 3.5Å; E547-K549 IonicContact OE2-NZ 2.8Å; E547-K549 PolarHBondContact OE2-NZ 3.47Å
548	G	85.4	Confident	87.7	Confident	50 Å²	50	71.6 Å²	71.6	52%	0.515	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	5.2	179.6	0	0	0	0	0	115.5	G544 L545 Q546	G544-G548 PolarHBondContact O-N 3.23Å; L545-G548 PolarHBondContact O-N 3.1Å; L545-G548 VanDerWaalsContact O-N 3.09Å; Q546-G548 PolarHBondContact O-N 2.86Å
549	K	86.1	Confident	87.5	Confident	142 Å²	142	72.8 Å²	72.8	62%	0.617	38%	0.383	S	S	*	.	S	Bend	trans	-69.3	-37.4	177.2	-65	171	176.4	166.4	0	111.6	G544 E547	G544-K549 WeakPolarHBondContact O-CA 3.35Å; G544-K549 WeakPolarHBondContact O-CB 3.37Å; G544-K549 PolarHBondContact O-N 2.85Å; E547-K549 HydrophobicContact CB-CD 4.27Å; E547-K549 HydrophobicContact CB-CG 4.27Å; E547-K549 PolarHBondContact O-N 2.69Å; E547-K549 WeakPolarHBondContact OE2-CD 3.44Å; E547-K549 WeakPolarHBondContact OE2-CE 3.5Å; E547-K549 IonicContact OE2-NZ 2.8Å; E547-K549 PolarHBondContact OE2-NZ 3.47Å
550	F	87.4	Confident	87.3	Confident	17 Å²	17	72.1 Å²	72.1	8%	0.075	38%	0.384	C	S	.	.	S	Bend	trans	-107.4	137.7	177.2	-62.6	-9	0	0	0	110.1	G544 L545 L575 K578 Y579 N582	G544-F550 PolarHBondContact O-N 2.93Å; L545-F550 VanDerWaalsContact CD1-O 3.26Å; L545-F550 WeakPolarHBondContact CD1-O 3.47Å; F550-L575 HydrophobicContact CD2-CD2 4.48Å; F550-K578 HydrophobicContact CB-CB 4.33Å; F550-K578 HydrophobicContact CD1-CB 4.09Å; F550-K578 HydrophobicContact CD2-CB 4.11Å; F550-K578 HydrophobicContact CE1-CB 4.49Å; F550-K578 HydrophobicContact CE2-CB 4.46Å; F550-K578 HydrophobicContact CG-CB 3.92Å; F550-Y579 HydrophobicContact CE2-CD2 4.38Å; F550-Y579 HydrophobicContact CZ-CD2 4.49Å; F550-N582 HydrophobicContact CE1-CB 4.14Å; F550-N582 WeakPolarHBondContact CE1-ND2 3.09Å; F550-N582 HydrophobicContact CZ-CB 4.48Å
551	L	84	Confident	87.2	Confident	129 Å²	129	69.6 Å²	69.6	68%	0.675	37%	0.373	S	S	*	.			trans	-118.9	133.3	171.4	-70.9	86.7	0	0	0	109.4
552	L	83.5	Confident	87.1	Confident	21 Å²	21	71.6 Å²	71.6	11%	0.11	38%	0.384	C	S	.	.			trans	-96.2	161.5	173.2	-73.7	178.8	0	0	0	111.3	L545 D554 I557 E574 L575	L545-L552 HydrophobicContact CD1-CD1 4.48Å; L545-L552 HydrophobicContact CD1-CG 4.31Å; L545-L552 HydrophobicContact CD2-CD1 3.77Å; L545-L552 HydrophobicContact CD2-CG 4.42Å; L552-D554 PolarHBondContact O-N 3.13Å; L552-I557 HydrophobicContact CD1-CB 3.94Å; L552-I557 HydrophobicContact CD1-CD1 4.17Å; L552-I557 HydrophobicContact CD1-CG2 3.86Å; L552-E574 HydrophobicContact CD2-CB 3.46Å; L552-E574 VanDerWaalsContact CD2-CB 3.46Å; L552-L575 HydrophobicContact CD1-CD2 4.05Å; L552-L575 HydrophobicContact CD1-CG 4.34Å; L552-L575 HydrophobicContact CD2-CD2 3.73Å; L552-L575 HydrophobicContact CD2-CG 3.98Å; L552-L575 HydrophobicContact CG-CD2 3.93Å
553	T	81.5	Confident	87.2	Confident	119 Å²	119	71 Å²	71	73%	0.73	38%	0.38	S	S	*	.	S	Bend	trans	-66.7	-26.7	177	-49.2	0	0	0	0	112.5	E574	T553-E574 VanDerWaalsContact CB-OE2 3.24Å; T553-E574 WeakPolarHBondContact CB-OE2 3.43Å; T553-E574 PolarHBondContact N-OE2 3.23Å; T553-E574 PolarHBondContact OG1-OE2 2.83Å
554	D	79	Confident	87.3	Confident	38 Å²	38	66.2 Å²	66.2	20%	0.203	36%	0.359	C	S	.	.	S	Bend	trans	-116.2	106.2	172.6	-168.2	-25.8	0	0	0	109.3	L475 L552 R556 I557	L475-D554 VanDerWaalsContact CD2-OD2 3.3Å; L475-D554 WeakPolarHBondContact CD2-OD2 2.95Å; L552-D554 PolarHBondContact O-N 3.13Å; D554-R556 PolarHBondContact O-N 3.21Å; D554-R556 VanDerWaalsContact O-N 3.16Å; D554-R556 WeakPolarHBondContact OD1-CB 3.45Å; D554-R556 WeakPolarHBondContact OD1-CG 3.35Å; D554-R556 IonicContact OD1-CZ 3.57Å; D554-R556 PolarHBondContact OD1-N 3.15Å; D554-R556 VanDerWaalsContact OD1-N 3.15Å; D554-R556 IonicContact OD1-NE 3.74Å; D554-R556 PolarHBondContact OD1-NE 2.84Å; D554-R556 IonicContact OD1-NH2 2.81Å; D554-R556 IonicContact OD2-CZ 3.9Å; D554-R556 IonicContact OD2-NE 2.79Å; D554-R556 PolarHBondContact OD2-NE 2.85Å; D554-R556 IonicContact OD2-NH2 2.62Å; D554-R556 PolarHBondContact OD2-NH2 3.44Å; D554-I557 HydrophobicContact CB-CD1 3.94Å; D554-I557 HydrophobicContact CB-CG1 4.22Å; D554-I557 PolarHBondContact O-N 2.92Å
555	C	75.7	Confident	87.3	Confident	123 Å²	123	68 Å²	68	83%	0.831	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.5	-176.4	58.5	0	0	0	0	114.5	I557	C555-I557 VanDerWaalsContact C-N 3.32Å
556	R	79.9	Confident	87.4	Confident	166 Å²	166	70.8 Å²	70.8	63%	0.626	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.2	177.8	-54.7	172.5	-63.4	163.2	5	113	D554 T561	D554-R556 PolarHBondContact O-N 3.21Å; D554-R556 VanDerWaalsContact O-N 3.16Å; D554-R556 WeakPolarHBondContact OD1-CB 3.45Å; D554-R556 WeakPolarHBondContact OD1-CG 3.35Å; D554-R556 IonicContact OD1-CZ 3.57Å; D554-R556 PolarHBondContact OD1-N 3.15Å; D554-R556 VanDerWaalsContact OD1-N 3.15Å; D554-R556 IonicContact OD1-NE 3.74Å; D554-R556 PolarHBondContact OD1-NE 2.84Å; D554-R556 IonicContact OD1-NH2 2.81Å; D554-R556 IonicContact OD2-CZ 3.9Å; D554-R556 IonicContact OD2-NE 2.79Å; D554-R556 PolarHBondContact OD2-NE 2.85Å; D554-R556 IonicContact OD2-NH2 2.62Å; D554-R556 PolarHBondContact OD2-NH2 3.44Å; R556-T561 PolarHBondContact O-OG1 3.22Å
557	I	87.1	Confident	87.6	Confident	15 Å²	15	62.9 Å²	62.9	8%	0.077	36%	0.356	C	S	.	.			trans	-83	121.3	-179.2	-59.4	172.7	0	0	0	109.4	L475 F499 L545 L552 D554 C555 A571	L475-I557 HydrophobicContact CD1-CD1 3.69Å; L475-I557 HydrophobicContact CD1-CG1 4.03Å; L475-I557 HydrophobicContact CD2-CD1 4.45Å; L475-I557 HydrophobicContact CD2-CG1 4.14Å; F499-I557 HydrophobicContact CD1-CG2 3.49Å; F499-I557 VanDerWaalsContact CD1-CG2 3.49Å; F499-I557 HydrophobicContact CE1-CG2 3.64Å; L545-I557 WeakPolarHBondContact CD2-O 3.33Å; L552-I557 HydrophobicContact CD1-CB 3.94Å; L552-I557 HydrophobicContact CD1-CD1 4.17Å; L552-I557 HydrophobicContact CD1-CG2 3.86Å; D554-I557 HydrophobicContact CB-CD1 3.94Å; D554-I557 HydrophobicContact CB-CG1 4.22Å; D554-I557 PolarHBondContact O-N 2.92Å; C555-I557 VanDerWaalsContact C-N 3.32Å; I557-A571 HydrophobicContact CD1-CB 4.01Å
558	S	90.4	Very high	87.8	Confident	48 Å²	48	58.6 Å²	58.6	34%	0.336	34%	0.336	S	S	.	.			trans	-121.4	176.1	170.6	70.9	0	0	0	0	110.9	D560 T561	S558-D560 VanDerWaalsContact C-N 3.28Å; S558-D560 PolarHBondContact O-N 3.26Å; S558-D560 PolarHBondContact OG-N 3.38Å; S558-T561 PolarHBondContact N-OG1 3.37Å; S558-T561 WeakPolarHBondContact O-CB 3.34Å; S558-T561 PolarHBondContact O-N 3.22Å; S558-T561 PolarHBondContact O-OG1 2.66Å; S558-T561 PolarHBondContact OG-N 2.85Å; S558-T561 PolarHBondContact OG-OG1 2.79Å
559	A	90.6	Very high	88.1	Confident	29 Å²	29	59.1 Å²	59.1	24%	0.24	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-42.3	171.3	0	0	0	0	0	112.4	F499 S500 L542 T561	F499-A559 WeakPolarHBondContact CA-O 3.34Å; F499-A559 PolarHBondContact N-O 3.42Å; S500-A559 PolarHBondContact N-O 3.25Å; S500-A559 PolarHBondContact OG-O 3.47Å; L542-A559 HydrophobicContact CB-CB 4.48Å; L542-A559 HydrophobicContact CD1-CB 4.07Å; L542-A559 HydrophobicContact CD2-CB 4.35Å; A559-T561 VanDerWaalsContact C-N 3.28Å; A559-T561 PolarHBondContact O-N 3.03Å
560	D	90.9	Very high	88.3	Confident	123 Å²	123	59.2 Å²	59.2	66%	0.658	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.2	-175.5	-37.3	-76.3	0	0	0	113.4	S558 L562	S558-D560 VanDerWaalsContact C-N 3.28Å; S558-D560 PolarHBondContact O-N 3.26Å; S558-D560 PolarHBondContact OG-N 3.38Å; D560-L562 PolarHBondContact O-N 3.06Å
561	T	92.1	Very high	88.6	Confident	17 Å²	17	58.5 Å²	58.5	10%	0.104	32%	0.32	C	S	.	.			trans	-66.2	123.2	-176.5	-65	0	0	0	0	110.7	M474 F499 R556 S558 A559 L563	M474-T561 HydrophobicContact CB-CG2 3.96Å; M474-T561 HydrophobicContact CG-CG2 4.21Å; F499-T561 PolarHBondContact N-O 3.48Å; R556-T561 PolarHBondContact O-OG1 3.22Å; S558-T561 PolarHBondContact N-OG1 3.37Å; S558-T561 WeakPolarHBondContact O-CB 3.34Å; S558-T561 PolarHBondContact O-N 3.22Å; S558-T561 PolarHBondContact O-OG1 2.66Å; S558-T561 PolarHBondContact OG-N 2.85Å; S558-T561 PolarHBondContact OG-OG1 2.79Å; A559-T561 VanDerWaalsContact C-N 3.28Å; A559-T561 PolarHBondContact O-N 3.03Å; T561-L563 HydrophobicContact CG2-CD2 3.76Å; T561-L563 HydrophobicContact CG2-CG 4.1Å; T561-L563 PolarHBondContact O-N 2.8Å; T561-L563 VanDerWaalsContact O-N 3.14Å
562	L	93.3	Very high	89.1	Confident	42 Å²	42	52.4 Å²	52.4	22%	0.22	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	106.8	179.9	-63	174.8	0	0	0	111.2	A470 M474 L496 A497 P498 D560	A470-L562 HydrophobicContact CB-CD1 3.61Å; M474-L562 HydrophobicContact CG-CB 4.18Å; M474-L562 PolarHBondContact N-O 3.32Å; L496-L562 HydrophobicContact CD1-CB 4.28Å; A497-L562 WeakPolarHBondContact O-CA 3.32Å; P498-L562 HydrophobicContact CG-CD2 4.27Å; D560-L562 PolarHBondContact O-N 3.06Å
563	L	94.4	Very high	89.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.5	-177.2	-63.5	-172.8	0	0	0	111.9	L475 L496 A497 F499 L502 T561 C567 A571	L475-L563 HydrophobicContact CB-CD2 4.31Å; L475-L563 HydrophobicContact CD1-CD1 4.48Å; L475-L563 HydrophobicContact CD1-CD2 3.55Å; L475-L563 HydrophobicContact CG-CD2 3.55Å; L496-L563 WeakPolarHBondContact CA-O 3.49Å; A497-L563 PolarHBondContact N-O 3.1Å; A497-L563 PolarHBondContact O-N 2.92Å; F499-L563 HydrophobicContact CB-CD1 3.88Å; F499-L563 HydrophobicContact CB-CG 4.3Å; F499-L563 HydrophobicContact CD1-CD1 4.01Å; F499-L563 HydrophobicContact CD2-CD1 3.8Å; F499-L563 HydrophobicContact CE2-CD1 4.37Å; F499-L563 HydrophobicContact CG-CD1 3.63Å; L502-L563 HydrophobicContact CD2-CB 4.13Å; T561-L563 HydrophobicContact CG2-CD2 3.76Å; T561-L563 HydrophobicContact CG2-CG 4.1Å; T561-L563 PolarHBondContact O-N 2.8Å; T561-L563 VanDerWaalsContact O-N 3.14Å; L563-C567 HydrophobicContact CD2-CB 4.39Å; L563-A571 HydrophobicContact CD1-CB 4.43Å
564	C	94.1	Very high	90.1	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.034	27%	0.269	C	S	.	.			trans	-82.1	158.8	164.2	72.4	0	0	0	0	110.9	C473 F480 C495 C566 C567 G568	C473-C564 HydrophobicContact CB-CB 3.98Å; C473-C564 PolarHBondContact SG-N 3.26Å; C473-C564 VanDerWaalsContact SG-N 3.39Å; F480-C564 HydrophobicContact CD2-CB 3.87Å; F480-C564 HydrophobicContact CE1-CB 4.05Å; F480-C564 HydrophobicContact CE2-CB 3.33Å; F480-C564 HydrophobicContact CG-CB 4.44Å; F480-C564 HydrophobicContact CZ-CB 3.44Å; F480-C564 VanDerWaalsContact CZ-CB 3.44Å; C495-C564 VanDerWaalsContact O-CA 3.23Å; C495-C564 WeakPolarHBondContact O-CA 3.49Å; C495-C564 WeakPolarHBondContact O-CB 3.29Å; C564-C566 PolarHBondContact O-N 3.33Å; C564-C566 VanDerWaalsContact O-N 3.08Å; C564-C567 PolarHBondContact O-N 3.05Å; C564-C567 VanDerWaalsContact SG-SG 3.68Å; C564-G568 PolarHBondContact O-N 3.35Å
565	S	91.4	Very high	90.8	Very high	44 Å²	44	48.5 Å²	48.5	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-53.1	-36.5	-174.7	-34.2	0	0	0	0	113.2	G494 L569	G494-S565 PolarHBondContact O-OG 3.5Å; G494-S565 VanDerWaalsContact O-OG 3.05Å; S565-L569 WeakPolarHBondContact O-CB 3.48Å; S565-L569 PolarHBondContact O-N 2.74Å
566	C	90.8	Very high	91.7	Very high	94 Å²	94	42.6 Å²	42.6	64%	0.635	22%	0.22	S	C	*	.	H	α-helix	trans	-70.2	-42.1	177.7	-63.1	0	0	0	0	113	C564 R570	C564-C566 PolarHBondContact O-N 3.33Å; C564-C566 VanDerWaalsContact O-N 3.08Å; C566-R570 PolarHBondContact O-N 3.39Å
567	C	92.6	Very high	92.4	Very high	9 Å²	9	34.8 Å²	34.8	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-73	-42.1	179.5	-75.9	0	0	0	0	111.9	L475 L563 C564 R570 A571	L475-C567 HydrophobicContact CB-CB 4.28Å; L475-C567 HydrophobicContact CD1-CB 4.25Å; L563-C567 HydrophobicContact CD2-CB 4.39Å; C564-C567 PolarHBondContact O-N 3.05Å; C564-C567 VanDerWaalsContact SG-SG 3.68Å; C567-R570 WeakPolarHBondContact O-CB 3.42Å; C567-R570 PolarHBondContact O-N 3.37Å; C567-A571 PolarHBondContact O-N 3.37Å; C567-A571 VanDerWaalsContact O-N 3.09Å
568	G	92.8	Very high	92.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.3	-34.1	175.3	0	0	0	0	0	113.3	C564 R570 A571 F572	C564-G568 PolarHBondContact O-N 3.35Å; G568-R570 VanDerWaalsContact C-N 3.3Å; G568-R570 PolarHBondContact O-N 3.46Å; G568-A571 PolarHBondContact O-N 3.47Å; G568-F572 WeakPolarHBondContact O-CB 3.27Å; G568-F572 PolarHBondContact O-N 2.84Å
569	L	92	Very high	92.9	Very high	61 Å²	61	35 Å²	35	32%	0.319	18%	0.184	S	C	.	.	H	α-helix	trans	-61.5	-38.7	171.1	-176.5	61.9	0	0	0	111.7	L504 C508 S565 F572 K573	L504-L569 HydrophobicContact CD1-CD1 4.43Å; L504-L569 HydrophobicContact CD2-CB 4.13Å; C508-L569 HydrophobicContact CB-CD1 4.36Å; S565-L569 WeakPolarHBondContact O-CB 3.48Å; S565-L569 PolarHBondContact O-N 2.74Å; L569-F572 HydrophobicContact CD1-CD1 4.38Å; L569-F572 PolarHBondContact O-N 3.31Å; L569-K573 WeakPolarHBondContact O-CG 3.39Å; L569-K573 PolarHBondContact O-N 2.79Å
570	R	91.3	Very high	93.1	Very high	144 Å²	144	34.4 Å²	34.4	54%	0.543	18%	0.176	S	C	.	.	H	α-helix	trans	-63.8	-49.2	175.1	-174.6	175.2	68.3	-160.4	3	111.5	C566 C567 G568 F572 K573 E574	C566-R570 PolarHBondContact O-N 3.39Å; C567-R570 WeakPolarHBondContact O-CB 3.42Å; C567-R570 PolarHBondContact O-N 3.37Å; G568-R570 VanDerWaalsContact C-N 3.3Å; G568-R570 PolarHBondContact O-N 3.46Å; R570-F572 VanDerWaalsContact C-N 3.33Å; R570-F572 PolarHBondContact O-N 2.79Å; R570-K573 PolarHBondContact O-N 2.89Å; R570-E574 PolarHBondContact O-N 3.41Å
571	A	92.5	Very high	93.3	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-40.2	177	0	0	0	0	0	112.2	F499 I557 L563 C567 G568 K573 E574 L575	F499-A571 HydrophobicContact CE1-CB 3.77Å; F499-A571 HydrophobicContact CE2-CB 4.11Å; F499-A571 HydrophobicContact CZ-CB 3.44Å; F499-A571 VanDerWaalsContact CZ-CB 3.44Å; I557-A571 HydrophobicContact CD1-CB 4.01Å; L563-A571 HydrophobicContact CD1-CB 4.43Å; C567-A571 PolarHBondContact O-N 3.37Å; C567-A571 VanDerWaalsContact O-N 3.09Å; G568-A571 PolarHBondContact O-N 3.47Å; A571-K573 PolarHBondContact O-N 2.93Å; A571-E574 PolarHBondContact O-N 3.26Å; A571-L575 PolarHBondContact O-N 3.26Å
572	F	94.4	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-37.9	175.5	176.9	-110.4	0	0	0	112.7	F499 L504 C508 L509 V512 W534 L537 L538 G568 L569 R570 E574 L575 A576	F499-F572 HydrophobicContact CE2-CB 4.36Å; L504-F572 HydrophobicContact CD1-CB 3.51Å; L504-F572 HydrophobicContact CD1-CD1 3.62Å; L504-F572 HydrophobicContact CD1-CD2 4.13Å; L504-F572 HydrophobicContact CD1-CE1 4.34Å; L504-F572 HydrophobicContact CD1-CG 3.49Å; L504-F572 VanDerWaalsContact CD1-CG 3.49Å; C508-F572 HydrophobicContact CB-CE1 4.1Å; L509-F572 HydrophobicContact CD2-CE1 4.18Å; L509-F572 HydrophobicContact CD2-CZ 3.91Å; V512-F572 HydrophobicContact CG2-CD1 3.93Å; V512-F572 HydrophobicContact CG2-CE1 3.67Å; W534-F572 HydrophobicContact CB-CZ 4.13Å; L537-F572 HydrophobicContact CD2-CD2 4.33Å; L537-F572 HydrophobicContact CD2-CE2 3.52Å; L537-F572 HydrophobicContact CD2-CZ 4.04Å; L538-F572 HydrophobicContact CB-CD2 4.15Å; L538-F572 HydrophobicContact CB-CE2 3.98Å; L538-F572 HydrophobicContact CD1-CD2 4.06Å; G568-F572 WeakPolarHBondContact O-CB 3.27Å; G568-F572 PolarHBondContact O-N 2.84Å; L569-F572 HydrophobicContact CD1-CD1 4.38Å; L569-F572 PolarHBondContact O-N 3.31Å; R570-F572 VanDerWaalsContact C-N 3.33Å; R570-F572 PolarHBondContact O-N 2.79Å; F572-E574 VanDerWaalsContact C-N 3.32Å; F572-E574 PolarHBondContact O-N 3.44Å; F572-L575 PolarHBondContact O-N 3.19Å; F572-A576 VanDerWaalsContact O-CB 3.24Å; F572-A576 WeakPolarHBondContact O-CB 3.32Å; F572-A576 PolarHBondContact O-N 2.79Å
573	K	93.3	Very high	93.3	Very high	48 Å²	48	34.8 Å²	34.8	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-35.7	173.8	-72.5	-164.7	178.4	-145.6	0	112.4	G511 V512 N515 L569 R570 A571 Y577	G511-K573 PolarHBondContact O-NZ 2.98Å; V512-K573 HydrophobicContact CG2-CG 3.87Å; V512-K573 WeakPolarHBondContact O-CB 3.23Å; V512-K573 WeakPolarHBondContact O-CD 3.45Å; V512-K573 VanDerWaalsContact O-CG 3.24Å; V512-K573 WeakPolarHBondContact O-CG 3.3Å; N515-K573 PolarHBondContact OD1-NZ 2.99Å; N515-K573 VanDerWaalsContact OD1-NZ 3.14Å; L569-K573 WeakPolarHBondContact O-CG 3.39Å; L569-K573 PolarHBondContact O-N 2.79Å; R570-K573 PolarHBondContact O-N 2.89Å; A571-K573 PolarHBondContact O-N 2.93Å; K573-Y577 PolarHBondContact O-N 3.34Å; K573-Y577 VanDerWaalsContact O-N 3.14Å
574	E	92.6	Very high	93.3	Very high	48 Å²	48	37.3 Å²	37.3	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-45.7	172.6	-71.8	178.5	-131.5	0	0	112.1	L552 T553 R570 A571 F572 Y577 K578	L552-E574 HydrophobicContact CD2-CB 3.46Å; L552-E574 VanDerWaalsContact CD2-CB 3.46Å; T553-E574 VanDerWaalsContact CB-OE2 3.24Å; T553-E574 WeakPolarHBondContact CB-OE2 3.43Å; T553-E574 PolarHBondContact N-OE2 3.23Å; T553-E574 PolarHBondContact OG1-OE2 2.83Å; R570-E574 PolarHBondContact O-N 3.41Å; A571-E574 PolarHBondContact O-N 3.26Å; F572-E574 VanDerWaalsContact C-N 3.32Å; F572-E574 PolarHBondContact O-N 3.44Å; E574-Y577 PolarHBondContact O-N 2.83Å; E574-K578 PolarHBondContact O-N 3.39Å
575	L	93.7	Very high	93.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-47.1	174.7	-74.1	-174.4	0	0	0	112.1	F499 L538 L542 L545 F550 L552 A571 F572 Y577 K578 Y579	F499-L575 HydrophobicContact CE1-CD1 3.74Å; F499-L575 HydrophobicContact CZ-CD1 3.73Å; L538-L575 HydrophobicContact CD1-CD1 4.03Å; L542-L575 HydrophobicContact CD2-CD1 4.07Å; L542-L575 HydrophobicContact CG-CD1 4.28Å; L545-L575 HydrophobicContact CD2-CD2 4.49Å; F550-L575 HydrophobicContact CD2-CD2 4.48Å; L552-L575 HydrophobicContact CD1-CD2 4.05Å; L552-L575 HydrophobicContact CD1-CG 4.34Å; L552-L575 HydrophobicContact CD2-CD2 3.73Å; L552-L575 HydrophobicContact CD2-CG 3.98Å; L552-L575 HydrophobicContact CG-CD2 3.93Å; A571-L575 PolarHBondContact O-N 3.26Å; F572-L575 PolarHBondContact O-N 3.19Å; L575-Y577 VanDerWaalsContact C-N 3.3Å; L575-Y577 PolarHBondContact O-N 2.83Å; L575-K578 CarbonylContact O-C 3.57Å; L575-K578 WeakPolarHBondContact O-CA 3.35Å; L575-K578 PolarHBondContact O-N 3.19Å; L575-Y579 WeakPolarHBondContact O-CB 3.46Å; L575-Y579 PolarHBondContact O-N 2.81Å
576	A	94.9	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-34.6	178.6	0	0	0	0	0	112.7	V512 L513 L523 L537 F572 R580	V512-A576 HydrophobicContact CG1-CB 4.46Å; V512-A576 HydrophobicContact CG2-CB 3.72Å; L513-A576 HydrophobicContact CD2-CB 4.23Å; L523-A576 HydrophobicContact CD2-CB 4.35Å; L537-A576 HydrophobicContact CD2-CB 3.99Å; F572-A576 VanDerWaalsContact O-CB 3.24Å; F572-A576 WeakPolarHBondContact O-CB 3.32Å; F572-A576 PolarHBondContact O-N 2.79Å; A576-R580 VanDerWaalsContact O-CB 3.3Å; A576-R580 WeakPolarHBondContact O-CB 3.19Å; A576-R580 PolarHBondContact O-N 2.95Å
577	Y	95.1	Very high	93.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-42.8	170.9	-174.9	-87.1	0	0	0	111.6	N514 K573 E574 L575 R580 Q581 R602 I619 C620	N514-Y577 WeakPolarHBondContact ND2-CD2 3.46Å; K573-Y577 PolarHBondContact O-N 3.34Å; K573-Y577 VanDerWaalsContact O-N 3.14Å; E574-Y577 PolarHBondContact O-N 2.83Å; L575-Y577 VanDerWaalsContact C-N 3.3Å; L575-Y577 PolarHBondContact O-N 2.83Å; Y577-R580 PolarHBondContact O-N 3.2Å; Y577-Q581 VanDerWaalsContact O-CB 3.3Å; Y577-Q581 WeakPolarHBondContact O-CB 3.2Å; Y577-Q581 PolarHBondContact O-N 2.9Å; Y577-R602 HydrophobicContact CE2-CB 3.85Å; Y577-I619 HydrophobicContact CD2-CD1 4.15Å; Y577-I619 HydrophobicContact CE2-CD1 3.8Å; Y577-I619 HydrophobicContact CE2-CG2 4.48Å; Y577-C620 PolarHBondContact OH-N 3.29Å; Y577-C620 PolarHBondContact OH-O 2.85Å
578	K	93.1	Very high	93.4	Very high	48 Å²	48	44.6 Å²	44.6	21%	0.209	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-38.7	175.6	-71.9	-67.4	173.8	-167.8	0	113.1	F550 E574 L575 Q581 N582	F550-K578 HydrophobicContact CB-CB 4.33Å; F550-K578 HydrophobicContact CD1-CB 4.09Å; F550-K578 HydrophobicContact CD2-CB 4.11Å; F550-K578 HydrophobicContact CE1-CB 4.49Å; F550-K578 HydrophobicContact CE2-CB 4.46Å; F550-K578 HydrophobicContact CG-CB 3.92Å; E574-K578 PolarHBondContact O-N 3.39Å; L575-K578 CarbonylContact O-C 3.57Å; L575-K578 WeakPolarHBondContact O-CA 3.35Å; L575-K578 PolarHBondContact O-N 3.19Å; K578-Q581 PolarHBondContact O-N 3.17Å; K578-N582 PolarHBondContact O-N 3.21Å; K578-N582 PolarHBondContact O-ND2 3.5Å
579	Y	95.1	Very high	93.4	Very high	20 Å²	20	48.2 Å²	48.2	8%	0.078	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-54.9	171.9	-167.8	-87.5	0	0	0	110.8	L523 Y526 L527 K532 L537 E540 S541 F550 L575 Q581 N582 I583	L523-Y579 HydrophobicContact CD1-CD1 4.16Å; Y526-Y579 HydrophobicContact CE1-CE1 4Å; L527-Y579 HydrophobicContact CD2-CE1 4.33Å; K532-Y579 PolarHBondContact NZ-OH 2.78Å; L537-Y579 HydrophobicContact CD1-CD1 3.52Å; L537-Y579 HydrophobicContact CD1-CD2 4.48Å; L537-Y579 HydrophobicContact CD1-CE1 3.94Å; L537-Y579 HydrophobicContact CD1-CG 3.83Å; L537-Y579 HydrophobicContact CG-CD1 3.96Å; L537-Y579 HydrophobicContact CG-CD2 4.02Å; L537-Y579 HydrophobicContact CG-CE1 4.28Å; L537-Y579 HydrophobicContact CG-CE2 4.33Å; L537-Y579 HydrophobicContact CG-CG 3.82Å; E540-Y579 HydrophobicContact CB-CE2 3.89Å; E540-Y579 VanDerWaalsContact OE2-CE2 3.24Å; E540-Y579 WeakPolarHBondContact OE2-CE2 3.49Å; E540-Y579 PolarHBondContact OE2-OH 3.35Å; S541-Y579 WeakPolarHBondContact OG-CD2 3.23Å; F550-Y579 HydrophobicContact CE2-CD2 4.38Å; F550-Y579 HydrophobicContact CZ-CD2 4.49Å; L575-Y579 WeakPolarHBondContact O-CB 3.46Å; L575-Y579 PolarHBondContact O-N 2.81Å; Y579-Q581 PolarHBondContact O-N 2.89Å; Y579-N582 PolarHBondContact O-N 3.24Å; Y579-I583 HydrophobicContact CD1-CD1 4.31Å; Y579-I583 HydrophobicContact CD1-CG1 4.41Å; Y579-I583 HydrophobicContact CE1-CD1 4.33Å; Y579-I583 HydrophobicContact CE1-CG1 4.42Å; Y579-I583 PolarHBondContact O-N 3.22Å
580	R	95.5	Very high	93.4	Very high	16 Å²	16	48.9 Å²	48.9	6%	0.06	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-31.3	177.6	174.4	63.9	-179.1	80.3	8.5	113.7	L513 E519 L523 A576 Y577 N582 I619	L513-R580 HydrophobicContact CD1-CB 4.02Å; L513-R580 HydrophobicContact CD1-CG 3.64Å; L513-R580 HydrophobicContact CD2-CB 4.25Å; E519-R580 IonicContact OE2-CZ 2.66Å; E519-R580 IonicContact OE2-NE 3.38Å; E519-R580 IonicContact OE2-NH2 2.65Å; E519-R580 PolarHBondContact OE2-NH2 2.83Å; L523-R580 HydrophobicContact CD1-CB 4.38Å; L523-R580 HydrophobicContact CD2-CB 4.48Å; A576-R580 VanDerWaalsContact O-CB 3.3Å; A576-R580 WeakPolarHBondContact O-CB 3.19Å; A576-R580 PolarHBondContact O-N 2.95Å; Y577-R580 PolarHBondContact O-N 3.2Å; R580-N582 VanDerWaalsContact C-N 3.3Å; R580-I619 HydrophobicContact CG-CD1 3.95Å; R580-I619 HydrophobicContact CG-CG1 3.94Å; R580-I619 HydrophobicContact CG-CG2 4.15Å
581	Q	93.5	Very high	93.3	Very high	81 Å²	81	45.7 Å²	45.7	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-70.1	-24.3	175.2	-175.7	173.4	19.5	0	0	112.7	Y577 K578 Y579 I619	Y577-Q581 VanDerWaalsContact O-CB 3.3Å; Y577-Q581 WeakPolarHBondContact O-CB 3.2Å; Y577-Q581 PolarHBondContact O-N 2.9Å; K578-Q581 PolarHBondContact O-N 3.17Å; Y579-Q581 PolarHBondContact O-N 2.89Å; Q581-I619 HydrophobicContact CB-CG2 4.3Å
582	N	93.1	Very high	93.3	Very high	95 Å²	95	46 Å²	46	51%	0.508	27%	0.269	S	S	.	.	H	α-helix	trans	-101.8	-1.3	-177.6	-76.8	-93.3	0	0	0	114.3	F550 K578 Y579 R580 P584	F550-N582 HydrophobicContact CE1-CB 4.14Å; F550-N582 WeakPolarHBondContact CE1-ND2 3.09Å; F550-N582 HydrophobicContact CZ-CB 4.48Å; K578-N582 PolarHBondContact O-N 3.21Å; K578-N582 PolarHBondContact O-ND2 3.5Å; Y579-N582 PolarHBondContact O-N 3.24Å; R580-N582 VanDerWaalsContact C-N 3.3Å; N582-P584 WeakPolarHBondContact O-CD 3.24Å
583	I	94.1	Very high	93.2	Very high	13 Å²	13	49.2 Å²	49.2	7%	0.067	29%	0.289	C	S	.	.	S	Bend	trans	-66.7	125.9	172.7	-60.9	173.1	0	0	0	109	L523 Y526 Y579 E587 L588	L523-I583 HydrophobicContact CD1-CD1 3.98Å; Y526-I583 HydrophobicContact CD1-CD1 3.57Å; Y526-I583 HydrophobicContact CD1-CG1 4.45Å; Y526-I583 HydrophobicContact CD2-CD1 4.25Å; Y526-I583 HydrophobicContact CD2-CG2 3.98Å; Y526-I583 HydrophobicContact CE1-CD1 3.66Å; Y526-I583 HydrophobicContact CE1-CG1 4.06Å; Y526-I583 HydrophobicContact CE2-CD1 4.34Å; Y526-I583 HydrophobicContact CE2-CG2 3.57Å; Y526-I583 HydrophobicContact CG-CD1 3.88Å; Y579-I583 HydrophobicContact CD1-CD1 4.31Å; Y579-I583 HydrophobicContact CD1-CG1 4.41Å; Y579-I583 HydrophobicContact CE1-CD1 4.33Å; Y579-I583 HydrophobicContact CE1-CG1 4.42Å; Y579-I583 PolarHBondContact O-N 3.22Å; I583-E587 HydrophobicContact CG2-CB 4.27Å; I583-L588 HydrophobicContact CB-CD1 4.44Å; I583-L588 HydrophobicContact CG2-CD1 4.14Å; I583-L588 HydrophobicContact CG2-CD2 3.96Å; I583-L588 HydrophobicContact CG2-CG 3.85Å
584	P	93.5	Very high	93.2	Very high	54 Å²	54	51.5 Å²	51.5	35%	0.351	31%	0.311	S	S	.	.			trans	-59.1	137.2	179.5	-26.4	36.3	0	0	0	112.4	N582 S586 E587	N582-P584 WeakPolarHBondContact O-CD 3.24Å; P584-S586 PolarHBondContact O-N 3.05Å; P584-E587 HydrophobicContact CB-CG 4.3Å; P584-E587 WeakPolarHBondContact CG-OE1 3.33Å; P584-E587 PolarHBondContact O-N 3.01Å
585	P	91.8	Very high	93.4	Very high	97 Å²	97	50.3 Å²	50.3	63%	0.63	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-58.5	-21.7	178.5	-27.6	35.9	0	0	0	114.8	E587 T593	P585-E587 VanDerWaalsContact C-N 3.29Å; P585-T593 HydrophobicContact CB-CG2 4.16Å
586	S	93	Very high	93.5	Very high	109 Å²	109	54 Å²	54	76%	0.762	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-72	-17.4	173.9	50.5	0	0	0	0	114.4	P584	P584-S586 PolarHBondContact O-N 3.05Å
587	E	93.3	Very high	93.6	Very high	80 Å²	80	58.1 Å²	58.1	37%	0.374	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-100.1	5.9	178.4	-59.8	-169.2	-127.3	0	0	112.6	Y526 K530 I583 P584 P585	Y526-E587 HydrophobicContact CE2-CB 4.15Å; K530-E587 WeakPolarHBondContact CE-OE2 3.48Å; K530-E587 IonicContact NZ-OE2 2.7Å; K530-E587 PolarHBondContact NZ-OE2 3.24Å; I583-E587 HydrophobicContact CG2-CB 4.27Å; P584-E587 HydrophobicContact CB-CG 4.3Å; P584-E587 WeakPolarHBondContact CG-OE1 3.33Å; P584-E587 PolarHBondContact O-N 3.01Å; P585-E587 VanDerWaalsContact C-N 3.29Å
588	L	93.8	Very high	93.7	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.099	35%	0.352	C	S	.	.	S	Bend	trans	-117.7	148.3	178.7	-65.3	174.2	0	0	0	110.2	V522 Y526 I583 T593	V522-L588 HydrophobicContact CG1-CD2 4.27Å; Y526-L588 HydrophobicContact CD2-CD2 4.41Å; I583-L588 HydrophobicContact CB-CD1 4.44Å; I583-L588 HydrophobicContact CG2-CD1 4.14Å; I583-L588 HydrophobicContact CG2-CD2 3.96Å; I583-L588 HydrophobicContact CG2-CG 3.85Å; L588-T593 HydrophobicContact CB-CG2 3.87Å; L588-T593 HydrophobicContact CD1-CG2 4.34Å
589	P	92.4	Very high	93.7	Very high	75 Å²	75	63.1 Å²	63.1	49%	0.487	37%	0.37	S	S	.	.			trans	-58.8	140.9	176.9	-23.3	33.2	0	0	0	112	S591 V592 T593	P589-S591 PolarHBondContact O-N 3.17Å; P589-S591 VanDerWaalsContact O-N 3.12Å; P589-V592 HydrophobicContact CB-CG2 4.14Å; P589-V592 HydrophobicContact CG-CG2 4.17Å; P589-V592 WeakPolarHBondContact O-CA 3.45Å; P589-V592 WeakPolarHBondContact O-CB 3.42Å; P589-V592 PolarHBondContact O-N 3.03Å; P589-T593 PolarHBondContact O-N 2.79Å; P589-T593 PolarHBondContact O-OG1 2.88Å
590	A	90.8	Very high	93.7	Very high	75 Å²	75	66.1 Å²	66.1	62%	0.62	38%	0.381	S	S	*	.	H	α-helix	trans	-56	-32.4	177.9	0	0	0	0	0	112.9	V592 T593 S594	A590-V592 PolarHBondContact O-N 3.16Å; A590-T593 PolarHBondContact O-N 3.36Å; A590-T593 PolarHBondContact O-OG1 2.79Å; A590-S594 WeakPolarHBondContact O-CB 3.35Å; A590-S594 PolarHBondContact O-N 3.11Å; A590-S594 PolarHBondContact O-OG 3.23Å
591	S	89.9	Confident	93.6	Very high	78 Å²	78	65.4 Å²	65.4	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-21.8	174.1	51.3	0	0	0	0	114.4	P589 R595	P589-S591 PolarHBondContact O-N 3.17Å; P589-S591 VanDerWaalsContact O-N 3.12Å; S591-R595 WeakPolarHBondContact O-CG 3.31Å
592	V	92.2	Very high	93.6	Very high	8 Å²	8	64.4 Å²	64.4	5%	0.048	37%	0.371	C	S	.	.	H	α-helix	trans	-84.8	-40.7	174.8	174.2	0	0	0	0	110.4	V522 P589 A590 R595	V522-V592 HydrophobicContact CG1-CG1 3.9Å; V522-V592 HydrophobicContact CG1-CG2 4.27Å; V522-V592 HydrophobicContact CG2-CG1 4.35Å; V522-V592 HydrophobicContact CG2-CG2 3.79Å; P589-V592 HydrophobicContact CB-CG2 4.14Å; P589-V592 HydrophobicContact CG-CG2 4.17Å; P589-V592 WeakPolarHBondContact O-CA 3.45Å; P589-V592 WeakPolarHBondContact O-CB 3.42Å; P589-V592 PolarHBondContact O-N 3.03Å; A590-V592 PolarHBondContact O-N 3.16Å; V592-R595 PolarHBondContact O-NE 2.91Å; V592-R595 PolarHBondContact O-NH2 3.18Å
593	T	93	Very high	93.6	Very high	68 Å²	68	64.4 Å²	64.4	42%	0.417	37%	0.371	S	S	.	.	H	α-helix	trans	-87.7	-21.2	-173.5	54	0	0	0	0	114	P585 L588 P589 A590 R595	P585-T593 HydrophobicContact CB-CG2 4.16Å; L588-T593 HydrophobicContact CB-CG2 3.87Å; L588-T593 HydrophobicContact CD1-CG2 4.34Å; P589-T593 PolarHBondContact O-N 2.79Å; P589-T593 PolarHBondContact O-OG1 2.88Å; A590-T593 PolarHBondContact O-N 3.36Å; A590-T593 PolarHBondContact O-OG1 2.79Å; T593-R595 VanDerWaalsContact C-N 3.31Å; T593-R595 PolarHBondContact O-N 2.84Å
594	S	94	Very high	93.6	Very high	95 Å²	95	63.9 Å²	63.9	66%	0.664	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	3.8	176.6	80.2	0	0	0	0	114.6	A590	A590-S594 WeakPolarHBondContact O-CB 3.35Å; A590-S594 PolarHBondContact O-N 3.11Å; A590-S594 PolarHBondContact O-OG 3.23Å
595	R	95.6	Very high	93.6	Very high	24 Å²	24	72.6 Å²	72.6	9%	0.091	40%	0.395	C	S	.	.	S	Bend	trans	-78.5	139.7	-179.7	-69.6	174.7	-60.8	138.8	10	110.5	E519 S591 V592 T593 A613 V614 F616 N617	E519-R595 IonicContact OE1-CZ 2.76Å; E519-R595 IonicContact OE1-NH1 2.75Å; E519-R595 PolarHBondContact OE1-NH1 2.86Å; E519-R595 IonicContact OE1-NH2 2.84Å; E519-R595 PolarHBondContact OE1-NH2 3.48Å; E519-R595 IonicContact OE2-NH2 2.63Å; S591-R595 WeakPolarHBondContact O-CG 3.31Å; V592-R595 PolarHBondContact O-NE 2.91Å; V592-R595 PolarHBondContact O-NH2 3.18Å; T593-R595 VanDerWaalsContact C-N 3.31Å; T593-R595 PolarHBondContact O-N 2.84Å; R595-A613 PolarHBondContact NH1-O 2.94Å; R595-A613 VanDerWaalsContact NH1-O 3.12Å; R595-V614 WeakPolarHBondContact CD-O 3.28Å; R595-F616 PolarHBondContact NH1-O 3.25Å; R595-N617 HydrophobicContact CB-CB 4.47Å
596	P	96.6	Very high	93.7	Very high	78 Å²	78	70.8 Å²	70.8	51%	0.506	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-66.4	141.8	174.9	28.6	-34.6	0	0	0	111.1	F616 N617	P596-F616 HydrophobicContact CB-CD1 4.47Å; P596-F616 HydrophobicContact CG-CD1 3.94Å; P596-F616 HydrophobicContact CG-CE1 4.16Å; P596-F616 CarbonylContact O-C 3.52Å; P596-F616 VanDerWaalsContact O-CA 3.28Å; P596-F616 WeakPolarHBondContact O-CA 3.25Å; P596-N617 PolarHBondContact O-N 3.41Å
597	D	96.8	Very high	93.8	Very high	86 Å²	86	66 Å²	66	46%	0.46	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-61.8	138.5	174.5	-82.4	-5.5	0	0	0	112.1	N617 C620	D597-N617 WeakPolarHBondContact OD1-CB 3.21Å; D597-N617 PolarHBondContact OD1-ND2 2.83Å; D597-C620 HydrophobicContact CB-CB 4.33Å; D597-C620 VanDerWaalsContact CG-SG 3.57Å; D597-C620 WeakPolarHBondContact OD2-CB 3.27Å
598	C	96.2	Very high	93.8	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.041	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-72.1	130.8	168.1	-166.4	0	0	0	0	109.9	W600 G601 F616 N617 H618	C598-W600 PolarHBondContact O-N 2.98Å; C598-G601 WeakPolarHBondContact O-CA 3.33Å; C598-G601 PolarHBondContact O-N 3.11Å; C598-F616 HydrophobicContact CB-CB 4.02Å; C598-N617 WeakPolarHBondContact CB-O 3.33Å; C598-N617 PolarHBondContact N-O 3.11Å; C598-H618 WeakPolarHBondContact CB-CD2 3.45Å; C598-H618 WeakPolarHBondContact CB-NE2 3.41Å
599	Y	93.9	Very high	93.8	Very high	149 Å²	149	71.2 Å²	71.2	58%	0.584	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.8	177	-52.4	-57.9	0	0	0	114.6	T623 R624	Y599-T623 PolarHBondContact O-N 2.94Å; Y599-T623 PolarHBondContact O-OG1 2.99Å; Y599-R624 PolarHBondContact O-N 3.04Å
600	W	93.9	Very high	93.8	Very high	83 Å²	83	71 Å²	71	31%	0.314	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.3	176.2	-57.7	110.6	0	0	0	113.5	C598 N603 C604 R624 K626	C598-W600 PolarHBondContact O-N 2.98Å; W600-N603 CarbonylContact O-C 3.49Å; W600-N603 WeakPolarHBondContact O-CA 3.5Å; W600-N603 WeakPolarHBondContact O-CB 3.39Å; W600-N603 PolarHBondContact O-N 3.22Å; W600-C604 HydrophobicContact CB-CB 3.69Å; W600-C604 PolarHBondContact O-N 2.89Å; W600-R624 WeakPolarHBondContact CZ3-O 3.39Å; W600-K626 HydrophobicContact CH2-CB 4.2Å; W600-K626 HydrophobicContact CH2-CD 3.99Å; W600-K626 HydrophobicContact CH2-CG 3.88Å; W600-K626 HydrophobicContact CZ2-CD 4.43Å
601	G	94.5	Very high	94	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	46.9	-139.6	-178.9	0	0	0	0	0	114.2	C598 N603 C604 C620	C598-G601 WeakPolarHBondContact O-CA 3.33Å; C598-G601 PolarHBondContact O-N 3.11Å; G601-N603 PolarHBondContact O-N 2.69Å; G601-N603 VanDerWaalsContact O-N 3.14Å; G601-C604 WeakPolarHBondContact O-CB 3.43Å; G601-C604 PolarHBondContact O-N 3.35Å; G601-C620 CarbonylContact C-O 3.5Å; G601-C620 VanDerWaalsContact CA-O 3.26Å; G601-C620 WeakPolarHBondContact CA-O 3.32Å
602	R	93.6	Very high	94.2	Very high	60 Å²	60	72.8 Å²	72.8	23%	0.226	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-51.3	-28.5	171.2	65	-168.8	-65.3	-167.9	-10.3	114.9	Y577 C604 Q607 H618 C620 E621	Y577-R602 HydrophobicContact CE2-CB 3.85Å; R602-C604 VanDerWaalsContact C-N 3.26Å; R602-C604 PolarHBondContact O-N 3.43Å; R602-Q607 PolarHBondContact O-NE2 2.98Å; R602-H618 PolarHBondContact N-O 3.43Å; R602-C620 PolarHBondContact N-O 3.25Å; R602-E621 VanDerWaalsContact CD-CD 3.47Å; R602-E621 VanDerWaalsContact CD-OE1 3.27Å; R602-E621 WeakPolarHBondContact CD-OE1 3.37Å; R602-E621 WeakPolarHBondContact CD-OE2 3.14Å; R602-E621 IonicContact CZ-OE1 2.79Å; R602-E621 IonicContact NE-OE1 2.72Å; R602-E621 IonicContact NH1-OE1 3.63Å; R602-E621 PolarHBondContact NH1-OE1 3.19Å; R602-E621 IonicContact NH1-OE2 3.62Å
603	N	93.6	Very high	94.4	Very high	96 Å²	96	72.5 Å²	72.5	51%	0.513	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-83.7	2.8	-179.5	-64.4	-20.8	0	0	0	113.1	W600 G601 R605 Q622	W600-N603 CarbonylContact O-C 3.49Å; W600-N603 WeakPolarHBondContact O-CA 3.5Å; W600-N603 WeakPolarHBondContact O-CB 3.39Å; W600-N603 PolarHBondContact O-N 3.22Å; G601-N603 PolarHBondContact O-N 2.69Å; G601-N603 VanDerWaalsContact O-N 3.14Å; N603-R605 PolarHBondContact O-N 2.83Å; N603-Q622 PolarHBondContact ND2-OE1 3Å
604	C	93.8	Very high	94.5	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.014	37%	0.365	C	S	.	.			trans	-64	106.2	-176.7	-174.5	0	0	0	0	113.2	W600 G601 R602 T606 Q607 H612	W600-C604 HydrophobicContact CB-CB 3.69Å; W600-C604 PolarHBondContact O-N 2.89Å; G601-C604 WeakPolarHBondContact O-CB 3.43Å; G601-C604 PolarHBondContact O-N 3.35Å; R602-C604 VanDerWaalsContact C-N 3.26Å; R602-C604 PolarHBondContact O-N 3.43Å; C604-T606 PolarHBondContact O-N 2.81Å; C604-T606 VanDerWaalsContact O-N 3.15Å; C604-T606 PolarHBondContact SG-OG1 3.01Å; C604-Q607 HydrophobicContact CB-CB 4.23Å; C604-Q607 WeakPolarHBondContact O-CG 3.38Å; C604-Q607 PolarHBondContact O-N 3.29Å; C604-Q607 PolarHBondContact O-NE2 3.37Å; C604-H612 PolarHBondContact SG-NE2 2.69Å
605	R	93.9	Very high	94.5	Very high	236 Å²	236	74.1 Å²	74.1	89%	0.891	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.5	175.4	-64.9	-173.9	-178.8	-175.5	1.5	113.8	N603	N603-R605 PolarHBondContact O-N 2.83Å
606	T	93.6	Very high	94.6	Very high	59 Å²	59	75.4 Å²	75.4	36%	0.362	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.5	177.3	45.1	0	0	0	0	115	C604 V608 K609 H612	C604-T606 PolarHBondContact O-N 2.81Å; C604-T606 VanDerWaalsContact O-N 3.15Å; C604-T606 PolarHBondContact SG-OG1 3.01Å; T606-V608 PolarHBondContact O-N 2.87Å; T606-V608 VanDerWaalsContact O-N 3.13Å; T606-K609 PolarHBondContact O-N 2.77Å; T606-H612 PolarHBondContact O-CD2 3.2Å; T606-H612 PolarHBondContact OG1-NE2 3.03Å
607	Q	94.1	Very high	94.6	Very high	9 Å²	9	72.7 Å²	72.7	4%	0.042	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.6	178.3	80.3	-168.7	-73.6	0	0	114.3	N516 R602 C604 K609	N516-Q607 HydrophobicContact CB-CB 4.33Å; N516-Q607 HydrophobicContact CB-CG 3.97Å; R602-Q607 PolarHBondContact O-NE2 2.98Å; C604-Q607 HydrophobicContact CB-CB 4.23Å; C604-Q607 WeakPolarHBondContact O-CG 3.38Å; C604-Q607 PolarHBondContact O-N 3.29Å; C604-Q607 PolarHBondContact O-NE2 3.37Å; Q607-K609 PolarHBondContact O-N 3.45Å
608	V	93.9	Very high	94.6	Very high	68 Å²	68	68.6 Å²	68.6	41%	0.412	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.7	171.4	-56.9	0	0	0	0	113.7	N515 T606	N515-V608 HydrophobicContact CB-CG1 4.42Å; T606-V608 PolarHBondContact O-N 2.87Å; T606-V608 VanDerWaalsContact O-N 3.13Å
609	K	94.1	Very high	94.6	Very high	141 Å²	141	69.3 Å²	69.3	61%	0.613	33%	0.327	S	S	*	.	S	Bend	trans	-99.1	116.4	178.1	-63.6	-172.1	177.1	-172.6	0	109.9	T606 Q607 H611 H612 A613	T606-K609 PolarHBondContact O-N 2.77Å; Q607-K609 PolarHBondContact O-N 3.45Å; K609-H611 PolarHBondContact O-N 2.81Å; K609-H612 HydrophobicContact CB-CB 4.34Å; K609-H612 WeakPolarHBondContact O-CA 3.22Å; K609-H612 WeakPolarHBondContact O-CB 3.38Å; K609-H612 PolarHBondContact O-N 3.36Å; K609-A613 PolarHBondContact O-N 3.4Å
610	A	92.9	Very high	94.6	Very high	69 Å²	69	62.7 Å²	62.7	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-46	-53.1	-175.3	0	0	0	0	0	114.1	H612 A613 V614	A610-H612 PolarHBondContact O-N 3.47Å; A610-H612 VanDerWaalsContact O-N 3.15Å; A610-A613 PolarHBondContact O-N 3.31Å; A610-V614 WeakPolarHBondContact O-CG2 3.35Å; A610-V614 PolarHBondContact O-N 2.86Å
611	H	93.9	Very high	94.6	Very high	154 Å²	154	63 Å²	63	71%	0.713	31%	0.307	S	S	*	.	H	α-helix	trans	-58.2	-29	178.2	173.7	-95.7	0	0	0	114.3	K609 K615	K609-H611 PolarHBondContact O-N 2.81Å; H611-K615 WeakPolarHBondContact O-CB 3.36Å
612	H	94.6	Very high	94.5	Very high	38 Å²	38	64.8 Å²	64.8	18%	0.176	32%	0.316	C	S	.	.	H	α-helix	trans	-80.5	-38.1	174.9	-176.7	79.6	0	0	0	112	C604 T606 K609 A610 K615 F616 H618	C604-H612 PolarHBondContact SG-NE2 2.69Å; T606-H612 PolarHBondContact O-CD2 3.2Å; T606-H612 PolarHBondContact OG1-NE2 3.03Å; K609-H612 HydrophobicContact CB-CB 4.34Å; K609-H612 WeakPolarHBondContact O-CA 3.22Å; K609-H612 WeakPolarHBondContact O-CB 3.38Å; K609-H612 PolarHBondContact O-N 3.36Å; A610-H612 PolarHBondContact O-N 3.47Å; A610-H612 VanDerWaalsContact O-N 3.15Å; H612-K615 PolarHBondContact O-N 2.93Å; H612-F616 AromaticContact CE1-CD2 3.67Å; H612-F616 AromaticContact ND1-CD2 3.72Å; H612-F616 AromaticContact ND1-CE2 3.96Å; H612-F616 PolarHBondContact O-N 3.44Å; H612-H618 AromaticContact CD2-CE1 3.52Å; H612-H618 AromaticContact CD2-NE2 3.42Å; H612-H618 PolarHBondContact CD2-NE2 2.8Å; H612-H618 AromaticContact NE2-CE1 3.74Å; H612-H618 AromaticContact NE2-NE2 3.17Å; H612-H618 PolarHBondContact NE2-NE2 2.98Å; H612-H618 VanDerWaalsContact NE2-NE2 3.17Å
613	A	95.4	Very high	94.4	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-68.2	-39.1	177.5	0	0	0	0	0	113.6	N516 R595 K609 A610 K615	N516-A613 VanDerWaalsContact OD1-CB 3.32Å; N516-A613 WeakPolarHBondContact OD1-CB 3.47Å; R595-A613 PolarHBondContact NH1-O 2.94Å; R595-A613 VanDerWaalsContact NH1-O 3.12Å; K609-A613 PolarHBondContact O-N 3.4Å; A610-A613 PolarHBondContact O-N 3.31Å; A613-K615 VanDerWaalsContact C-N 3.29Å; A613-K615 PolarHBondContact O-N 2.9Å
614	V	95.3	Very high	94.3	Very high	75 Å²	75	68.7 Å²	68.7	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-34.8	173.5	173.7	0	0	0	0	111.1	Y518 R595 A610	Y518-V614 HydrophobicContact CD2-CG2 3.66Å; Y518-V614 HydrophobicContact CE2-CG2 3.98Å; Y518-V614 HydrophobicContact CG-CG2 4.1Å; R595-V614 WeakPolarHBondContact CD-O 3.28Å; A610-V614 WeakPolarHBondContact O-CG2 3.35Å; A610-V614 PolarHBondContact O-N 2.86Å
615	K	95.3	Very high	94	Very high	122 Å²	122	75.8 Å²	75.8	53%	0.53	37%	0.365	S	S	.	.	H	α-helix	trans	-84.4	-28.8	-171.8	-176.1	165.6	-178.6	166.7	0	115	H611 H612 A613	H611-K615 WeakPolarHBondContact O-CB 3.36Å; H612-K615 PolarHBondContact O-N 2.93Å; A613-K615 VanDerWaalsContact C-N 3.29Å; A613-K615 PolarHBondContact O-N 2.9Å
616	F	96.4	Very high	93	Very high	51 Å²	51	72.2 Å²	72.2	22%	0.224	36%	0.356	C	S	.	.	S	Bend	trans	-127.5	146.4	-175.5	-65.4	-85.5	0	0	0	110.9	R595 P596 C598 H612 H618	R595-F616 PolarHBondContact NH1-O 3.25Å; P596-F616 HydrophobicContact CB-CD1 4.47Å; P596-F616 HydrophobicContact CG-CD1 3.94Å; P596-F616 HydrophobicContact CG-CE1 4.16Å; P596-F616 CarbonylContact O-C 3.52Å; P596-F616 VanDerWaalsContact O-CA 3.28Å; P596-F616 WeakPolarHBondContact O-CA 3.25Å; C598-F616 HydrophobicContact CB-CB 4.02Å; H612-F616 AromaticContact CE1-CD2 3.67Å; H612-F616 AromaticContact ND1-CD2 3.72Å; H612-F616 AromaticContact ND1-CE2 3.96Å; H612-F616 PolarHBondContact O-N 3.44Å; F616-H618 PolarHBondContact O-CE1 3.03Å; F616-H618 PolarHBondContact O-ND1 3.48Å
617	N	96.4	Very high	90.7	Very high	22 Å²	22	78.3 Å²	78.3	12%	0.118	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-71.2	138.7	165.9	177.6	39	0	0	0	110.1	R595 P596 D597 C598 I619 C620	R595-N617 HydrophobicContact CB-CB 4.47Å; P596-N617 PolarHBondContact O-N 3.41Å; D597-N617 WeakPolarHBondContact OD1-CB 3.21Å; D597-N617 PolarHBondContact OD1-ND2 2.83Å; C598-N617 WeakPolarHBondContact CB-O 3.33Å; C598-N617 PolarHBondContact N-O 3.11Å; N617-I619 PolarHBondContact ND2-O 3Å; N617-I619 VanDerWaalsContact ND2-O 3.15Å; N617-I619 WeakPolarHBondContact OD1-CB 3.46Å; N617-I619 PolarHBondContact OD1-N 3.4Å; N617-C620 PolarHBondContact O-SG 3.46Å
618	H	96.5	Very high	90.5	Very high	0 Å²	0	81.8 Å²	81.8	0%	0	42%	0.419	C	S	.	.			trans	-118.6	0.8	171.8	-61.2	102.2	0	0	0	113.1	N516 C598 R602 H612 F616 C620	N516-H618 PolarHBondContact ND2-ND1 3.2Å; N516-H618 VanDerWaalsContact ND2-ND1 3.11Å; C598-H618 WeakPolarHBondContact CB-CD2 3.45Å; C598-H618 WeakPolarHBondContact CB-NE2 3.41Å; R602-H618 PolarHBondContact N-O 3.43Å; H612-H618 AromaticContact CD2-CE1 3.52Å; H612-H618 AromaticContact CD2-NE2 3.42Å; H612-H618 PolarHBondContact CD2-NE2 2.8Å; H612-H618 AromaticContact NE2-CE1 3.74Å; H612-H618 AromaticContact NE2-NE2 3.17Å; H612-H618 PolarHBondContact NE2-NE2 2.98Å; H612-H618 VanDerWaalsContact NE2-NE2 3.17Å; F616-H618 PolarHBondContact O-CE1 3.03Å; F616-H618 PolarHBondContact O-ND1 3.48Å; H618-C620 PolarHBondContact O-N 2.86Å; H618-C620 VanDerWaalsContact O-N 3.14Å
619	I	96.3	Very high	90.3	Very high	20 Å²	20	82.5 Å²	82.5	10%	0.103	42%	0.42	C	S	.	.	S	Bend	trans	-87.9	62.6	169.7	-45.8	-55.1	0	0	0	108.1	L513 E519 Y577 R580 Q581 N617	L513-I619 HydrophobicContact CD1-CD1 4.01Å; E519-I619 HydrophobicContact CB-CD1 4.19Å; E519-I619 HydrophobicContact CG-CD1 4.12Å; E519-I619 HydrophobicContact CG-CG1 4.21Å; E519-I619 WeakPolarHBondContact OE2-CG1 3.32Å; Y577-I619 HydrophobicContact CD2-CD1 4.15Å; Y577-I619 HydrophobicContact CE2-CD1 3.8Å; Y577-I619 HydrophobicContact CE2-CG2 4.48Å; R580-I619 HydrophobicContact CG-CD1 3.95Å; R580-I619 HydrophobicContact CG-CG1 3.94Å; R580-I619 HydrophobicContact CG-CG2 4.15Å; Q581-I619 HydrophobicContact CB-CG2 4.3Å; N617-I619 PolarHBondContact ND2-O 3Å; N617-I619 VanDerWaalsContact ND2-O 3.15Å; N617-I619 WeakPolarHBondContact OD1-CB 3.46Å; N617-I619 PolarHBondContact OD1-N 3.4Å
620	C	94.3	Very high	90.1	Very high	11 Å²	11	79.3 Å²	79.3	7%	0.074	41%	0.409	C	S	.	.	S	Bend	trans	-155.5	159.2	-179.8	56.4	0	0	0	0	109.4	Y577 D597 G601 R602 N617 H618	Y577-C620 PolarHBondContact OH-N 3.29Å; Y577-C620 PolarHBondContact OH-O 2.85Å; D597-C620 HydrophobicContact CB-CB 4.33Å; D597-C620 VanDerWaalsContact CG-SG 3.57Å; D597-C620 WeakPolarHBondContact OD2-CB 3.27Å; G601-C620 CarbonylContact C-O 3.5Å; G601-C620 VanDerWaalsContact CA-O 3.26Å; G601-C620 WeakPolarHBondContact CA-O 3.32Å; R602-C620 PolarHBondContact N-O 3.25Å; N617-C620 PolarHBondContact O-SG 3.46Å; H618-C620 PolarHBondContact O-N 2.86Å; H618-C620 VanDerWaalsContact O-N 3.14Å
621	E	93.5	Very high	89.9	Confident	88 Å²	88	79.9 Å²	79.9	41%	0.411	40%	0.4	S	S	.	.			trans	-83.1	160	179	-68.4	-60.3	155	0	0	111.9	R602 T623	R602-E621 VanDerWaalsContact CD-CD 3.47Å; R602-E621 VanDerWaalsContact CD-OE1 3.27Å; R602-E621 WeakPolarHBondContact CD-OE1 3.37Å; R602-E621 WeakPolarHBondContact CD-OE2 3.14Å; R602-E621 IonicContact CZ-OE1 2.79Å; R602-E621 IonicContact NE-OE1 2.72Å; R602-E621 IonicContact NH1-OE1 3.63Å; R602-E621 PolarHBondContact NH1-OE1 3.19Å; R602-E621 IonicContact NH1-OE2 3.62Å; E621-T623 PolarHBondContact O-N 2.84Å
622	Q	93.3	Very high	89.7	Confident	38 Å²	38	75.3 Å²	75.3	18%	0.178	38%	0.38	C	S	.	.			trans	-71.5	117.8	-178.4	177.3	172.9	-7.6	0	0	110.9	N603 R624 F625	N603-Q622 PolarHBondContact ND2-OE1 3Å; Q622-R624 WeakPolarHBondContact CG-O 3.48Å; Q622-R624 PolarHBondContact NE2-O 3.49Å; Q622-F625 HydrophobicContact CB-CE1 4.26Å; Q622-F625 HydrophobicContact CB-CZ 4.18Å; Q622-F625 HydrophobicContact CG-CD1 4.23Å; Q622-F625 HydrophobicContact CG-CE1 3.77Å; Q622-F625 HydrophobicContact CG-CZ 3.94Å; Q622-F625 WeakPolarHBondContact O-CE2 3.5Å; Q622-F625 VanDerWaalsContact O-CZ 3.28Å; Q622-F625 WeakPolarHBondContact O-CZ 3.33Å
623	T	92.4	Very high	89.4	Confident	98 Å²	98	77.7 Å²	77.7	60%	0.601	39%	0.394	S	S	*	.			trans	-99.8	-20.3	-179.5	52.1	0	0	0	0	113.5	Y599 E621	Y599-T623 PolarHBondContact O-N 2.94Å; Y599-T623 PolarHBondContact O-OG1 2.99Å; E621-T623 PolarHBondContact O-N 2.84Å
624	R	89.4	Confident	88.9	Confident	141 Å²	141	83.2 Å²	83.2	53%	0.532	42%	0.421	S	S	.	.			trans	-113.8	121.1	174.3	-172.6	175.4	-174.9	170.7	3.7	111.3	Y599 W600 Q622	Y599-R624 PolarHBondContact O-N 3.04Å; W600-R624 WeakPolarHBondContact CZ3-O 3.39Å; Q622-R624 WeakPolarHBondContact CG-O 3.48Å; Q622-R624 PolarHBondContact NE2-O 3.49Å
625	F	88.6	Confident	88.4	Confident	150 Å²	150	83.8 Å²	83.8	66%	0.658	42%	0.419	S	S	*	.			trans	-101.2	137.9	165.9	-54.6	-85.5	0	0	0	107.9	Q622	Q622-F625 HydrophobicContact CB-CE1 4.26Å; Q622-F625 HydrophobicContact CB-CZ 4.18Å; Q622-F625 HydrophobicContact CG-CD1 4.23Å; Q622-F625 HydrophobicContact CG-CE1 3.77Å; Q622-F625 HydrophobicContact CG-CZ 3.94Å; Q622-F625 WeakPolarHBondContact O-CE2 3.5Å; Q622-F625 VanDerWaalsContact O-CZ 3.28Å; Q622-F625 WeakPolarHBondContact O-CZ 3.33Å
626	K	72.6	Confident	87.9	Confident	162 Å²	162	80.7 Å²	80.7	70%	0.704	41%	0.409	S	S	*	.			trans	-92.6	117.7	164.5	-96.2	178.2	173.1	-166.4	0	106.3	W600	W600-K626 HydrophobicContact CH2-CB 4.2Å; W600-K626 HydrophobicContact CH2-CD 3.99Å; W600-K626 HydrophobicContact CH2-CG 3.88Å; W600-K626 HydrophobicContact CZ2-CD 4.43Å
627	S	44.8	Very low	87.1	Confident	187 Å²	187	83.4 Å²	83.4	100%	1.308	43%	0.426	S	S	*	.			trans	-58	0	148.7	56	0	0	0	0	109.5

Retrieved 627 of 627 residues in 331.5 ms (Link to these results)

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