A0A5K4F9D6_SCHMA Loading...

Chymotrypsin

AlphaFold DB , UniProt , Accession A0A5K4F9D6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 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	55.4	Low	64.8	Low	246 Å²	246	78.1 Å²	78.1	100%	1.212	37%	0.369	S	S	*	.				0	133.8	0	-70.6	176.8	-162.2	0	0	108.1
2	E	62.1	Low	64.7	Low	156 Å²	156	85.8 Å²	85.8	73%	0.729	41%	0.413	S	S	*	.			trans	-65.3	137.3	173.1	-76.2	-178.3	155.2	0	0	110.3	I4	E2-I4 HydrophobicContact CB-CD1 4.04Å; E2-I4 HydrophobicContact CB-CG1 4.01Å; E2-I4 PolarHBondContact O-N 2.74Å
3	C	65.4	Low	64.2	Low	25 Å²	25	86.2 Å²	86.2	17%	0.169	42%	0.419	C	S	.	.			trans	-77.8	106.3	177.8	-179.6	0	0	0	0	108.8	T39 C40 C46	C3-T39 VanDerWaalsContact O-CA 3.27Å; C3-T39 WeakPolarHBondContact O-CA 3.23Å; C3-T39 WeakPolarHBondContact O-CG2 3.15Å; C3-C40 HydrophobicContact CB-CB 4.18Å; C3-C40 WeakPolarHBondContact CB-SG 3.06Å; C3-C40 PolarHBondContact O-N 2.98Å; C3-C40 VanDerWaalsContact O-N 3.1Å; C3-C40 PolarHBondContact O-SG 3.41Å; C3-C40 WeakPolarHBondContact SG-CB 3.46Å; C3-C40 CovalentContact SG-SG 2.07Å; C3-C40 PolarHBondContact SG-SG 3.5Å; C3-C46 HydrophobicContact CB-CB 4.44Å; C3-C46 WeakPolarHBondContact SG-CB 3.4Å; C3-C46 PolarHBondContact SG-SG 3.45Å
4	I	66	Low	63.5	Low	59 Å²	59	91 Å²	91	30%	0.303	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.2	-171.7	-54.8	-178.9	0	0	0	110.3	E2 K37 R38	E2-I4 HydrophobicContact CB-CD1 4.04Å; E2-I4 HydrophobicContact CB-CG1 4.01Å; E2-I4 PolarHBondContact O-N 2.74Å; I4-K37 HydrophobicContact CG2-CB 4.44Å; I4-K37 HydrophobicContact CG2-CD 3.88Å; I4-K37 HydrophobicContact CG2-CG 3.16Å; I4-R38 CarbonylContact C-O 3.56Å; I4-R38 WeakPolarHBondContact CA-O 2.94Å
5	E	66.8	Low	62.3	Low	22 Å²	22	89.1 Å²	89.1	10%	0.103	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	144.9	170.1	60.1	175.1	175.9	0	0	111.3	R7 R38	E5-R7 HydrophobicContact CG-CG 4.42Å; E5-R7 IonicContact OE1-CZ 3.36Å; E5-R7 IonicContact OE1-NE 3.21Å; E5-R7 PolarHBondContact OE1-NE 3.46Å; E5-R7 IonicContact OE1-NH2 2.74Å; E5-R7 PolarHBondContact OE1-NH2 3.13Å; E5-R7 IonicContact OE2-CZ 2.55Å; E5-R7 IonicContact OE2-NE 3.25Å; E5-R7 PolarHBondContact OE2-NE 2.85Å; E5-R7 IonicContact OE2-NH2 2.65Å; E5-R7 PolarHBondContact OE2-NH2 3.46Å; E5-R38 HydrophobicContact CG-CB 3.98Å; E5-R38 WeakPolarHBondContact CG-O 3.21Å; E5-R38 PolarHBondContact N-O 3.17Å; E5-R38 PolarHBondContact O-N 3.16Å
6	I	65.2	Low	61.7	Low	58 Å²	58	88.4 Å²	88.4	30%	0.297	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.4	169.1	-58.5	178.9	0	0	0	107.5	Y8 I24 A35 E36	I6-Y8 HydrophobicContact CG2-CD2 4.44Å; I6-Y8 HydrophobicContact CG2-CE2 3.84Å; I6-I24 HydrophobicContact CB-CD1 4.41Å; I6-I24 HydrophobicContact CD1-CD1 4.03Å; I6-I24 HydrophobicContact CG1-CD1 3.85Å; I6-I24 HydrophobicContact CG2-CD1 3.88Å; I6-A35 HydrophobicContact CG2-CB 4.4Å; I6-E36 WeakPolarHBondContact CA-O 3.48Å
7	R	67.1	Low	61	Low	39 Å²	39	94.4 Å²	94.4	15%	0.147	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.2	175.2	-62.8	-169	176.5	-177.1	8.7	110	E5 A35 E36 F375	E5-R7 HydrophobicContact CG-CG 4.42Å; E5-R7 IonicContact OE1-CZ 3.36Å; E5-R7 IonicContact OE1-NE 3.21Å; E5-R7 PolarHBondContact OE1-NE 3.46Å; E5-R7 IonicContact OE1-NH2 2.74Å; E5-R7 PolarHBondContact OE1-NH2 3.13Å; E5-R7 IonicContact OE2-CZ 2.55Å; E5-R7 IonicContact OE2-NE 3.25Å; E5-R7 PolarHBondContact OE2-NE 2.85Å; E5-R7 IonicContact OE2-NH2 2.65Å; E5-R7 PolarHBondContact OE2-NH2 3.46Å; R7-A35 CarbonylContact O-C 3.55Å; R7-A35 WeakPolarHBondContact O-CA 3.38Å; R7-E36 PolarHBondContact N-O 3.35Å; R7-E36 PolarHBondContact O-N 2.73Å; R7-F375 HydrophobicContact CB-CD2 4.31Å; R7-F375 HydrophobicContact CG-CD2 4.12Å; R7-F375 HydrophobicContact CG-CE2 3.86Å
8	Y	65.2	Low	60.7	Low	30 Å²	30	95.9 Å²	95.9	12%	0.118	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	166.9	-66.3	-90.4	0	0	0	107.9	I6 Y34 A35 K133 P134 T372	I6-Y8 HydrophobicContact CG2-CD2 4.44Å; I6-Y8 HydrophobicContact CG2-CE2 3.84Å; Y8-Y34 WeakPolarHBondContact CA-O 3.15Å; Y8-A35 HydrophobicContact CD1-CB 4Å; Y8-A35 HydrophobicContact CE1-CB 3.68Å; Y8-K133 HydrophobicContact CE1-CB 3.82Å; Y8-P134 HydrophobicContact CD1-CG 4.33Å; Y8-P134 HydrophobicContact CD2-CG 3.59Å; Y8-P134 VanDerWaalsContact CE1-CD 3.43Å; Y8-P134 HydrophobicContact CE1-CG 4.35Å; Y8-P134 HydrophobicContact CE2-CG 3.61Å; Y8-P134 HydrophobicContact CG-CG 3.96Å; Y8-T372 HydrophobicContact CD2-CG2 3.88Å; Y8-T372 HydrophobicContact CE2-CG2 3.85Å
9	R	65.9	Low	60.5	Low	80 Å²	80	97.7 Å²	97.7	30%	0.302	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.9	-178.4	-74.2	-176.5	165.5	-167.5	-3.8	110.4	Y33 Y34 E36	R9-Y33 VanDerWaalsContact C-CD1 3.45Å; R9-Y33 CarbonylContact O-C 3.43Å; R9-Y33 WeakPolarHBondContact O-CA 3.47Å; R9-Y33 WeakPolarHBondContact O-CB 3.46Å; R9-Y34 HydrophobicContact CB-CD1 4.27Å; R9-Y34 HydrophobicContact CB-CE1 3.76Å; R9-Y34 HydrophobicContact CB-CE2 4.26Å; R9-Y34 VanDerWaalsContact CD-OH 3.32Å; R9-Y34 WeakPolarHBondContact CD-OH 3.3Å; R9-Y34 PolarHBondContact N-O 3.14Å; R9-Y34 PolarHBondContact O-N 3.36Å; R9-E36 IonicContact CZ-OE2 3.52Å; R9-E36 IonicContact NE-OE2 2.66Å; R9-E36 IonicContact NH1-OE2 3.05Å
10	K	66.6	Low	60.3	Low	121 Å²	121	93.5 Å²	93.5	53%	0.526	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.7	171.1	-164.5	176.9	178.8	-179.2	0	110.1	K32 Y33	K10-K32 CarbonylContact C-O 3.43Å; K10-K32 WeakPolarHBondContact CA-O 3.35Å; K10-Y33 HydrophobicContact CB-CD1 3.9Å; K10-Y33 HydrophobicContact CB-CE1 3.44Å; K10-Y33 VanDerWaalsContact CB-CE1 3.44Å; K10-Y33 HydrophobicContact CD-CE1 4.44Å; K10-Y33 HydrophobicContact CG-CD1 4.42Å; K10-Y33 HydrophobicContact CG-CE1 3.81Å; K10-Y33 HydrophobicContact CG-CE2 4.43Å; K10-Y33 VanDerWaalsContact N-CD1 3.31Å
11	C	66.8	Low	60.3	Low	23 Å²	23	94.5 Å²	94.5	16%	0.155	48%	0.48	C	S	.	.			trans	-77.3	128.3	170.8	-59.2	0	0	0	0	109	C29 K32	C11-C29 HydrophobicContact CB-CB 3.8Å; C11-C29 WeakPolarHBondContact CB-SG 3.3Å; C11-C29 WeakPolarHBondContact SG-CB 3.31Å; C11-C29 CovalentContact SG-SG 1.98Å; C11-C29 PolarHBondContact SG-SG 2.91Å; C11-K32 WeakPolarHBondContact CB-O 3.4Å; C11-K32 PolarHBondContact N-O 3.13Å; C11-K32 PolarHBondContact SG-O 3.34Å
12	L	63.9	Low	60.5	Low	170 Å²	170	85.9 Å²	85.9	89%	0.89	44%	0.438	S	S	*	.	S	Bend	trans	-88.6	-26.8	-178	-66	172.9	0	0	0	112.1
13	D	58.4	Low	60.6	Low	92 Å²	92	80.4 Å²	80.4	49%	0.492	41%	0.414	S	S	.	.			trans	-152.8	165.5	168.7	68	39.9	0	0	0	110.7	S15	D13-S15 PolarHBondContact O-N 3.24Å; D13-S15 VanDerWaalsContact OD1-CA 3.27Å; D13-S15 WeakPolarHBondContact OD1-CA 3.47Å; D13-S15 PolarHBondContact OD1-N 3.37Å; D13-S15 PolarHBondContact OD1-OG 3.26Å; D13-S15 PolarHBondContact OD2-OG 3.12Å
14	D	53.6	Low	60.2	Low	153 Å²	153	82.2 Å²	82.2	82%	0.818	42%	0.422	S	S	*	.	S	Bend	trans	-75.5	1.4	177.4	-73	-29.3	0	0	0	113.2
15	S	46.4	Very low	59.7	Low	63 Å²	63	87 Å²	87	44%	0.441	44%	0.442	S	S	.	.			trans	-118.4	93.8	-171	56.1	0	0	0	0	111.8	D13 K17	D13-S15 PolarHBondContact O-N 3.24Å; D13-S15 VanDerWaalsContact OD1-CA 3.27Å; D13-S15 WeakPolarHBondContact OD1-CA 3.47Å; D13-S15 PolarHBondContact OD1-N 3.37Å; D13-S15 PolarHBondContact OD1-OG 3.26Å; D13-S15 PolarHBondContact OD2-OG 3.12Å; S15-K17 PolarHBondContact O-N 3.26Å
16	W	53.1	Low	59.1	Low	77 Å²	77	88.3 Å²	88.3	29%	0.292	45%	0.452	S	S	.	.			trans	-58.7	94.2	171.3	-63.6	89.5	0	0	0	111.3	L23 T27 Y34	W16-L23 HydrophobicContact CH2-CD1 3.78Å; W16-L23 HydrophobicContact CH2-CD2 3.86Å; W16-L23 HydrophobicContact CH2-CG 4.36Å; W16-L23 HydrophobicContact CZ2-CD1 4.25Å; W16-L23 HydrophobicContact CZ2-CD2 4.3Å; W16-L23 HydrophobicContact CZ3-CD1 4.06Å; W16-T27 PolarHBondContact NE1-O 2.92Å; W16-T27 VanDerWaalsContact NE1-O 3.08Å; W16-Y34 AromaticContact CH2-CD1 3.76Å; W16-Y34 HydrophobicContact CH2-CD1 3.76Å; W16-Y34 HydrophobicContact CH2-CD2 4.08Å; W16-Y34 AromaticContact CH2-CE1 3.92Å; W16-Y34 HydrophobicContact CH2-CE1 3.92Å; W16-Y34 HydrophobicContact CH2-CE2 4.2Å; W16-Y34 AromaticContact CH2-CG 3.83Å; W16-Y34 HydrophobicContact CH2-CG 3.83Å; W16-Y34 HydrophobicContact CZ2-CD1 4.33Å; W16-Y34 HydrophobicContact CZ2-CG 4.41Å; W16-Y34 HydrophobicContact CZ3-CE1 4.43Å
17	K	50	Low	58.5	Low	190 Å²	190	90.8 Å²	90.8	83%	0.826	47%	0.47	S	S	*	.	S	Bend	trans	-72	-16.7	162	-74.9	-172.9	180	178.1	0	111.6	S15	S15-K17 PolarHBondContact O-N 3.26Å
18	T	54.4	Low	58	Low	122 Å²	122	97.7 Å²	97.7	75%	0.748	50%	0.496	S	S	*	.	S	Bend	trans	-149.2	108.8	179.9	-3.7	0	0	0	0	110.9	S20	T18-S20 PolarHBondContact O-N 2.72Å
19	I	57.4	Low	57.9	Low	130 Å²	130	97 Å²	97	67%	0.667	50%	0.496	S	S	*	.			trans	-67.8	127.7	177.8	-61.7	169.3	0	0	0	108.8	L23	I19-L23 HydrophobicContact CG2-CD1 4.39Å
20	S	56.9	Low	57.4	Low	13 Å²	13	100 Å²	100	9%	0.091	52%	0.516	C	S	.	.			trans	-74.1	125.4	168.9	166	0	0	0	0	109.1	T18 N22 L23 E36	T18-S20 PolarHBondContact O-N 2.72Å; S20-N22 PolarHBondContact O-N 2.97Å; S20-N22 PolarHBondContact OG-N 3.29Å; S20-L23 VanDerWaalsContact O-CD1 3.3Å; S20-L23 WeakPolarHBondContact O-CD1 3.27Å; S20-E36 WeakPolarHBondContact OG-CG 3.37Å; S20-E36 PolarHBondContact OG-OE1 3.12Å
21	P	59.6	Low	56.9	Low	115 Å²	115	95.8 Å²	95.8	75%	0.747	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-5.1	-175.8	26	-34	0	0	0	114.1
22	N	60.1	Low	56.8	Low	65 Å²	65	99.9 Å²	99.9	35%	0.348	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	21.1	-163.1	-80.8	-22.9	0	0	0	113.6	S20 I24 E36 K37	S20-N22 PolarHBondContact O-N 2.97Å; S20-N22 PolarHBondContact OG-N 3.29Å; N22-I24 PolarHBondContact O-N 3.15Å; N22-E36 HydrophobicContact CB-CG 3.61Å; N22-E36 CarbonylContact O-C 3.59Å; N22-E36 WeakPolarHBondContact O-CA 3.33Å; N22-K37 WeakPolarHBondContact CB-O 3.42Å; N22-K37 PolarHBondContact ND2-O 3.08Å; N22-K37 PolarHBondContact O-N 3.43Å
23	L	63.3	Low	56.7	Low	42 Å²	42	93.5 Å²	93.5	22%	0.22	48%	0.481	C	S	.	.	B	Isolated β-bridge	trans	-67.2	126.4	-177.6	-82.3	151.2	0	0	0	112.3	W16 I19 S20 Y34	W16-L23 HydrophobicContact CH2-CD1 3.78Å; W16-L23 HydrophobicContact CH2-CD2 3.86Å; W16-L23 HydrophobicContact CH2-CG 4.36Å; W16-L23 HydrophobicContact CZ2-CD1 4.25Å; W16-L23 HydrophobicContact CZ2-CD2 4.3Å; W16-L23 HydrophobicContact CZ3-CD1 4.06Å; I19-L23 HydrophobicContact CG2-CD1 4.39Å; S20-L23 VanDerWaalsContact O-CD1 3.3Å; S20-L23 WeakPolarHBondContact O-CD1 3.27Å; L23-Y34 HydrophobicContact CD2-CD2 3.37Å; L23-Y34 HydrophobicContact CD2-CE2 4.22Å; L23-Y34 HydrophobicContact CD2-CG 3.78Å; L23-Y34 HydrophobicContact CG-CD2 4.34Å
24	I	58.1	Low	57.1	Low	63 Å²	63	90.7 Å²	90.7	32%	0.323	46%	0.464	S	S	.	.	S	Bend	trans	-84	-25.5	-175.8	-51.7	-177.5	0	0	0	112.5	I6 N22 A35 K37	I6-I24 HydrophobicContact CB-CD1 4.41Å; I6-I24 HydrophobicContact CD1-CD1 4.03Å; I6-I24 HydrophobicContact CG1-CD1 3.85Å; I6-I24 HydrophobicContact CG2-CD1 3.88Å; N22-I24 PolarHBondContact O-N 3.15Å; I24-A35 HydrophobicContact CB-CB 4.34Å; I24-A35 HydrophobicContact CD1-CB 4.45Å; I24-A35 PolarHBondContact N-O 2.76Å; I24-K37 HydrophobicContact CD1-CB 3.63Å; I24-K37 HydrophobicContact CD1-CG 4.37Å; I24-K37 HydrophobicContact CG1-CB 3.61Å
25	H	55.9	Low	57.7	Low	160 Å²	160	83.9 Å²	83.9	74%	0.741	43%	0.429	S	S	*	.	S	Bend	trans	-139.7	-9.1	-163	-96.3	-74.2	0	0	0	118.1
26	T	52.4	Low	58.8	Low	48 Å²	48	81 Å²	81	29%	0.294	41%	0.408	S	S	.	.			trans	-178.4	142.6	-179.8	161.2	0	0	0	0	112.5	R28	T26-R28 VanDerWaalsContact C-N 3.26Å; T26-R28 VanDerWaalsContact CG2-O 3.31Å; T26-R28 WeakPolarHBondContact CG2-O 3.14Å; T26-R28 WeakPolarHBondContact OG1-CA 3.34Å; T26-R28 PolarHBondContact OG1-N 3.27Å; T26-R28 PolarHBondContact OG1-O 2.96Å
27	T	54.1	Low	59.7	Low	111 Å²	111	82.2 Å²	82.2	68%	0.681	42%	0.416	S	S	*	.	S	Bend	trans	-80.1	-5.9	168	51.9	0	0	0	0	113	W16	W16-T27 PolarHBondContact NE1-O 2.92Å; W16-T27 VanDerWaalsContact NE1-O 3.08Å
28	R	56.7	Low	60.6	Low	183 Å²	183	77 Å²	77	69%	0.691	39%	0.391	S	S	*	.	S	Bend	trans	-115	134.9	178.8	-65.5	-176	178.3	-173.5	-0.5	110.8	T26 I30	T26-R28 VanDerWaalsContact C-N 3.26Å; T26-R28 VanDerWaalsContact CG2-O 3.31Å; T26-R28 WeakPolarHBondContact CG2-O 3.14Å; T26-R28 WeakPolarHBondContact OG1-CA 3.34Å; T26-R28 PolarHBondContact OG1-N 3.27Å; T26-R28 PolarHBondContact OG1-O 2.96Å; R28-I30 HydrophobicContact CB-CD1 4.12Å; R28-I30 HydrophobicContact CB-CG1 3.76Å; R28-I30 PolarHBondContact O-N 3.01Å
29	C	62.1	Low	61.4	Low	17 Å²	17	75.3 Å²	75.3	12%	0.115	38%	0.38	C	S	.	.			trans	-83.2	64.4	175.2	-169.9	0	0	0	0	112.4	C11 S31 K32	C11-C29 HydrophobicContact CB-CB 3.8Å; C11-C29 WeakPolarHBondContact CB-SG 3.3Å; C11-C29 WeakPolarHBondContact SG-CB 3.31Å; C11-C29 CovalentContact SG-SG 1.98Å; C11-C29 PolarHBondContact SG-SG 2.91Å; C29-S31 PolarHBondContact O-N 3.5Å; C29-K32 VanDerWaalsContact SG-CA 3.56Å
30	I	55.5	Low	61.9	Low	143 Å²	143	69.8 Å²	69.8	73%	0.733	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.7	-174.8	-57.1	171.3	0	0	0	111.6	R28	R28-I30 HydrophobicContact CB-CD1 4.12Å; R28-I30 HydrophobicContact CB-CG1 3.76Å; R28-I30 PolarHBondContact O-N 3.01Å
31	S	55.7	Low	62.6	Low	32 Å²	32	76.6 Å²	76.6	22%	0.224	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	25.2	-173.2	52	0	0	0	0	115.4	C29 Y33 K133	C29-S31 PolarHBondContact O-N 3.5Å; S31-Y33 PolarHBondContact O-N 3.41Å; S31-Y33 PolarHBondContact OG-O 2.78Å; S31-Y33 VanDerWaalsContact OG-O 3.1Å; S31-K133 PolarHBondContact OG-NZ 2.9Å
32	K	64.8	Low	62.9	Low	108 Å²	108	74.8 Å²	74.8	47%	0.47	37%	0.372	S	S	.	.	S	Bend	trans	56.5	-8.5	-172.3	-63.8	178.6	175.6	170.6	0	116.1	K10 C11 C29 D139	K10-K32 CarbonylContact C-O 3.43Å; K10-K32 WeakPolarHBondContact CA-O 3.35Å; C11-K32 WeakPolarHBondContact CB-O 3.4Å; C11-K32 PolarHBondContact N-O 3.13Å; C11-K32 PolarHBondContact SG-O 3.34Å; C29-K32 VanDerWaalsContact SG-CA 3.56Å; K32-D139 HydrophobicContact CD-CB 4.47Å; K32-D139 IonicContact NZ-OD1 3.33Å; K32-D139 PolarHBondContact NZ-OD1 3.36Å
33	Y	62.3	Low	63.1	Low	36 Å²	36	79.3 Å²	79.3	14%	0.141	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.5	176	-63.4	-99.7	0	0	0	109.9	R9 K10 S31 M136	R9-Y33 VanDerWaalsContact C-CD1 3.45Å; R9-Y33 CarbonylContact O-C 3.43Å; R9-Y33 WeakPolarHBondContact O-CA 3.47Å; R9-Y33 WeakPolarHBondContact O-CB 3.46Å; K10-Y33 HydrophobicContact CB-CD1 3.9Å; K10-Y33 HydrophobicContact CB-CE1 3.44Å; K10-Y33 VanDerWaalsContact CB-CE1 3.44Å; K10-Y33 HydrophobicContact CD-CE1 4.44Å; K10-Y33 HydrophobicContact CG-CD1 4.42Å; K10-Y33 HydrophobicContact CG-CE1 3.81Å; K10-Y33 HydrophobicContact CG-CE2 4.43Å; K10-Y33 VanDerWaalsContact N-CD1 3.31Å; S31-Y33 PolarHBondContact O-N 3.41Å; S31-Y33 PolarHBondContact OG-O 2.78Å; S31-Y33 VanDerWaalsContact OG-O 3.1Å; Y33-M136 HydrophobicContact CE1-CG 4.4Å; Y33-M136 HydrophobicContact CE2-CB 4.41Å; Y33-M136 HydrophobicContact CE2-CG 3.95Å; Y33-M136 WeakPolarHBondContact OH-CG 3.45Å
34	Y	66.1	Low	63	Low	34 Å²	34	80.7 Å²	80.7	13%	0.133	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152	170.6	68.9	-88.7	0	0	0	111	Y8 R9 W16 L23 E36	Y8-Y34 WeakPolarHBondContact CA-O 3.15Å; R9-Y34 HydrophobicContact CB-CD1 4.27Å; R9-Y34 HydrophobicContact CB-CE1 3.76Å; R9-Y34 HydrophobicContact CB-CE2 4.26Å; R9-Y34 VanDerWaalsContact CD-OH 3.32Å; R9-Y34 WeakPolarHBondContact CD-OH 3.3Å; R9-Y34 PolarHBondContact N-O 3.14Å; R9-Y34 PolarHBondContact O-N 3.36Å; W16-Y34 AromaticContact CH2-CD1 3.76Å; W16-Y34 HydrophobicContact CH2-CD1 3.76Å; W16-Y34 HydrophobicContact CH2-CD2 4.08Å; W16-Y34 AromaticContact CH2-CE1 3.92Å; W16-Y34 HydrophobicContact CH2-CE1 3.92Å; W16-Y34 HydrophobicContact CH2-CE2 4.2Å; W16-Y34 AromaticContact CH2-CG 3.83Å; W16-Y34 HydrophobicContact CH2-CG 3.83Å; W16-Y34 HydrophobicContact CZ2-CD1 4.33Å; W16-Y34 HydrophobicContact CZ2-CG 4.41Å; W16-Y34 HydrophobicContact CZ3-CE1 4.43Å; L23-Y34 HydrophobicContact CD2-CD2 3.37Å; L23-Y34 HydrophobicContact CD2-CE2 4.22Å; L23-Y34 HydrophobicContact CD2-CG 3.78Å; L23-Y34 HydrophobicContact CG-CD2 4.34Å; Y34-E36 HydrophobicContact CD2-CB 4.31Å; Y34-E36 HydrophobicContact CE2-CB 4.05Å
35	A	66.5	Low	63	Low	10 Å²	10	80.8 Å²	80.8	8%	0.083	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.3	174.1	0	0	0	0	0	109.9	I6 R7 Y8 I24	I6-A35 HydrophobicContact CG2-CB 4.4Å; R7-A35 CarbonylContact O-C 3.55Å; R7-A35 WeakPolarHBondContact O-CA 3.38Å; Y8-A35 HydrophobicContact CD1-CB 4Å; Y8-A35 HydrophobicContact CE1-CB 3.68Å; I24-A35 HydrophobicContact CB-CB 4.34Å; I24-A35 HydrophobicContact CD1-CB 4.45Å; I24-A35 PolarHBondContact N-O 2.76Å
36	E	70.6	Confident	63	Low	1 Å²	1	74.7 Å²	74.7	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.8	177.8	-168	-179	-178.6	0	0	109.9	I6 R7 R9 S20 N22 Y34 R38	I6-E36 WeakPolarHBondContact CA-O 3.48Å; R7-E36 PolarHBondContact N-O 3.35Å; R7-E36 PolarHBondContact O-N 2.73Å; R9-E36 IonicContact CZ-OE2 3.52Å; R9-E36 IonicContact NE-OE2 2.66Å; R9-E36 IonicContact NH1-OE2 3.05Å; S20-E36 WeakPolarHBondContact OG-CG 3.37Å; S20-E36 PolarHBondContact OG-OE1 3.12Å; N22-E36 HydrophobicContact CB-CG 3.61Å; N22-E36 CarbonylContact O-C 3.59Å; N22-E36 WeakPolarHBondContact O-CA 3.33Å; Y34-E36 HydrophobicContact CD2-CB 4.31Å; Y34-E36 HydrophobicContact CE2-CB 4.05Å; E36-R38 HydrophobicContact CG-CG 3.9Å; E36-R38 IonicContact OE1-CZ 2.91Å; E36-R38 IonicContact OE1-NE 2.7Å; E36-R38 PolarHBondContact OE1-NE 2.75Å; E36-R38 IonicContact OE1-NH2 3.26Å; E36-R38 PolarHBondContact OE1-NH2 3.22Å; E36-R38 VanDerWaalsContact OE1-NH2 3.11Å; E36-R38 IonicContact OE2-CZ 2.81Å; E36-R38 IonicContact OE2-NE 3.42Å; E36-R38 PolarHBondContact OE2-NE 3.34Å
37	K	70.8	Confident	62.9	Low	103 Å²	103	77.8 Å²	77.8	45%	0.448	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	99.9	174.3	-172.3	178.5	-178.9	-161.8	0	109.4	I4 N22 I24	I4-K37 HydrophobicContact CG2-CB 4.44Å; I4-K37 HydrophobicContact CG2-CD 3.88Å; I4-K37 HydrophobicContact CG2-CG 3.16Å; N22-K37 WeakPolarHBondContact CB-O 3.42Å; N22-K37 PolarHBondContact ND2-O 3.08Å; N22-K37 PolarHBondContact O-N 3.43Å; I24-K37 HydrophobicContact CD1-CB 3.63Å; I24-K37 HydrophobicContact CD1-CG 4.37Å; I24-K37 HydrophobicContact CG1-CB 3.61Å
38	R	70.3	Confident	62.9	Low	82 Å²	82	77.5 Å²	77.5	31%	0.309	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.6	179	-74.5	-165.2	158.6	-160.8	-7.9	111.9	I4 E5 E36 C40	I4-R38 CarbonylContact C-O 3.56Å; I4-R38 WeakPolarHBondContact CA-O 2.94Å; E5-R38 HydrophobicContact CG-CB 3.98Å; E5-R38 WeakPolarHBondContact CG-O 3.21Å; E5-R38 PolarHBondContact N-O 3.17Å; E5-R38 PolarHBondContact O-N 3.16Å; E36-R38 HydrophobicContact CG-CG 3.9Å; E36-R38 IonicContact OE1-CZ 2.91Å; E36-R38 IonicContact OE1-NE 2.7Å; E36-R38 PolarHBondContact OE1-NE 2.75Å; E36-R38 IonicContact OE1-NH2 3.26Å; E36-R38 PolarHBondContact OE1-NH2 3.22Å; E36-R38 VanDerWaalsContact OE1-NH2 3.11Å; E36-R38 IonicContact OE2-CZ 2.81Å; E36-R38 IonicContact OE2-NE 3.42Å; E36-R38 PolarHBondContact OE2-NE 3.34Å; R38-C40 PolarHBondContact O-N 3.43Å
39	T	70.8	Confident	62.8	Low	86 Å²	86	75.2 Å²	75.2	53%	0.528	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.7	158.7	-47.8	0	0	0	0	107.9	C3 L41	C3-T39 VanDerWaalsContact O-CA 3.27Å; C3-T39 WeakPolarHBondContact O-CA 3.23Å; C3-T39 WeakPolarHBondContact O-CG2 3.15Å; T39-L41 PolarHBondContact O-N 3.15Å
40	C	67.8	Low	63	Low	13 Å²	13	77 Å²	77	9%	0.088	38%	0.381	C	S	.	.			trans	-60	134.1	-179.2	-28.5	0	0	0	0	110.2	C3 R38 N42 C46	C3-C40 HydrophobicContact CB-CB 4.18Å; C3-C40 WeakPolarHBondContact CB-SG 3.06Å; C3-C40 PolarHBondContact O-N 2.98Å; C3-C40 VanDerWaalsContact O-N 3.1Å; C3-C40 PolarHBondContact O-SG 3.41Å; C3-C40 WeakPolarHBondContact SG-CB 3.46Å; C3-C40 CovalentContact SG-SG 2.07Å; C3-C40 PolarHBondContact SG-SG 3.5Å; R38-C40 PolarHBondContact O-N 3.43Å; C40-N42 WeakPolarHBondContact CB-O 3.41Å; C40-N42 PolarHBondContact O-N 2.93Å; C40-C46 HydrophobicContact CB-CB 4.28Å; C40-C46 WeakPolarHBondContact SG-CB 3.33Å; C40-C46 PolarHBondContact SG-SG 3.27Å
41	L	70.6	Confident	63.8	Low	156 Å²	156	70.4 Å²	70.4	82%	0.817	35%	0.348	S	S	*	.	S	Bend	trans	-64.8	-30.2	174.4	-68.9	171.1	0	0	0	111.8	T39	T39-L41 PolarHBondContact O-N 3.15Å
42	N	65.7	Low	64.8	Low	78 Å²	78	73.4 Å²	73.4	42%	0.417	36%	0.362	S	S	.	.	S	Bend	trans	-129.3	130.4	174.2	-169.9	-16.5	0	0	0	109.2	C40 T44 Q45	C40-N42 WeakPolarHBondContact CB-O 3.41Å; C40-N42 PolarHBondContact O-N 2.93Å; N42-T44 PolarHBondContact ND2-OG1 3.31Å; N42-T44 PolarHBondContact O-N 2.88Å; N42-T44 PolarHBondContact OD1-N 2.92Å; N42-T44 PolarHBondContact OD1-OG1 2.68Å; N42-Q45 HydrophobicContact CB-CG 4.12Å; N42-Q45 WeakPolarHBondContact O-CB 3.18Å; N42-Q45 PolarHBondContact O-N 3.06Å
43	K	65.2	Low	65.4	Low	159 Å²	159	71.5 Å²	71.5	69%	0.691	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.6	174.5	-72.3	-177.1	180	176.1	0	111.5	Q45 C46 N47	K43-Q45 VanDerWaalsContact C-N 3.3Å; K43-Q45 PolarHBondContact O-N 3.26Å; K43-C46 PolarHBondContact O-N 3.49Å; K43-N47 WeakPolarHBondContact O-CB 3.43Å; K43-N47 VanDerWaalsContact O-CG 3.27Å; K43-N47 PolarHBondContact O-N 3Å; K43-N47 PolarHBondContact O-ND2 2.48Å
44	T	60.8	Low	66.3	Low	71 Å²	71	71.3 Å²	71.3	44%	0.436	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-30.2	171.9	65.7	0	0	0	0	112.8	N42 C46 N47 E48	N42-T44 PolarHBondContact ND2-OG1 3.31Å; N42-T44 PolarHBondContact O-N 2.88Å; N42-T44 PolarHBondContact OD1-N 2.92Å; N42-T44 PolarHBondContact OD1-OG1 2.68Å; T44-C46 PolarHBondContact O-N 2.89Å; T44-N47 CarbonylContact O-C 3.57Å; T44-N47 PolarHBondContact O-N 3.16Å; T44-E48 VanDerWaalsContact O-CB 3.23Å; T44-E48 WeakPolarHBondContact O-CB 3.34Å; T44-E48 VanDerWaalsContact O-CG 3.3Å; T44-E48 WeakPolarHBondContact O-CG 3.34Å; T44-E48 PolarHBondContact O-N 3.23Å
45	Q	58.1	Low	67.2	Low	66 Å²	66	70.8 Å²	70.8	31%	0.308	36%	0.355	S	S	.	.	H	α-helix	trans	-69.2	-14.9	179.1	-77.9	179.2	-7.2	0	0	114.3	N42 K43 K373	N42-Q45 HydrophobicContact CB-CG 4.12Å; N42-Q45 WeakPolarHBondContact O-CB 3.18Å; N42-Q45 PolarHBondContact O-N 3.06Å; K43-Q45 VanDerWaalsContact C-N 3.3Å; K43-Q45 PolarHBondContact O-N 3.26Å; Q45-K373 PolarHBondContact O-NZ 3.18Å
46	C	56	Low	68.1	Low	32 Å²	32	77.4 Å²	77.4	22%	0.216	38%	0.382	C	S	.	.	H	α-helix	trans	-109.5	-22.1	175.6	-133.7	0	0	0	0	112.3	C3 C40 K43 T44	C3-C46 HydrophobicContact CB-CB 4.44Å; C3-C46 WeakPolarHBondContact SG-CB 3.4Å; C3-C46 PolarHBondContact SG-SG 3.45Å; C40-C46 HydrophobicContact CB-CB 4.28Å; C40-C46 WeakPolarHBondContact SG-CB 3.33Å; C40-C46 PolarHBondContact SG-SG 3.27Å; K43-C46 PolarHBondContact O-N 3.49Å; T44-C46 PolarHBondContact O-N 2.89Å
47	N	50.8	Low	68.9	Low	113 Å²	113	81.5 Å²	81.5	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-75.7	-7.8	159.8	-64.4	-15.6	0	0	0	111.7	K43 T44 Q53	K43-N47 WeakPolarHBondContact O-CB 3.43Å; K43-N47 VanDerWaalsContact O-CG 3.27Å; K43-N47 PolarHBondContact O-N 3Å; K43-N47 PolarHBondContact O-ND2 2.48Å; T44-N47 CarbonylContact O-C 3.57Å; T44-N47 PolarHBondContact O-N 3.16Å; N47-Q53 PolarHBondContact O-NE2 2.95Å; N47-Q53 PolarHBondContact O-OE1 2.8Å
48	E	53.5	Low	69.7	Low	105 Å²	105	77.6 Å²	77.6	49%	0.491	39%	0.387	S	S	.	.	S	Bend	trans	-91.8	96	170.2	-88.5	178.6	156.8	0	0	109.9	T44	T44-E48 VanDerWaalsContact O-CB 3.23Å; T44-E48 WeakPolarHBondContact O-CB 3.34Å; T44-E48 VanDerWaalsContact O-CG 3.3Å; T44-E48 WeakPolarHBondContact O-CG 3.34Å; T44-E48 PolarHBondContact O-N 3.23Å
49	Y	54.5	Low	70.5	Confident	134 Å²	134	76.8 Å²	76.8	53%	0.525	39%	0.392	S	S	.	.			trans	62.1	73.2	174	-62.3	-77.5	0	0	0	114.6	Q53 I54	Y49-Q53 HydrophobicContact CD1-CB 4.42Å; Y49-I54 HydrophobicContact CD1-CG1 3.58Å; Y49-I54 HydrophobicContact CG-CG1 4.09Å
50	T	67.2	Low	71.2	Confident	56 Å²	56	78.4 Å²	78.4	34%	0.344	40%	0.397	S	S	.	.			trans	-58.4	148.7	148	64.9	0	0	0	0	108	D52 Q53 I54	T50-D52 PolarHBondContact O-N 3.21Å; T50-D52 VanDerWaalsContact O-N 3.11Å; T50-Q53 VanDerWaalsContact N-OE1 3.12Å; T50-Q53 WeakPolarHBondContact O-CA 3.4Å; T50-Q53 WeakPolarHBondContact O-CB 3.25Å; T50-Q53 PolarHBondContact O-N 3.06Å; T50-Q53 WeakPolarHBondContact OG1-CG 3.38Å; T50-Q53 PolarHBondContact OG1-N 3.11Å; T50-I54 PolarHBondContact O-N 3.15Å; T50-I54 VanDerWaalsContact O-N 3.11Å
51	G	71.9	Confident	72.4	Confident	3 Å²	3	81.1 Å²	81.1	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-54.6	-33.5	176.1	0	0	0	0	0	111.6	Q53 I54 I55 S367	G51-Q53 VanDerWaalsContact C-N 3.33Å; G51-Q53 PolarHBondContact O-N 3.11Å; G51-I54 WeakPolarHBondContact O-CB 3.44Å; G51-I54 PolarHBondContact O-N 3.19Å; G51-I55 WeakPolarHBondContact O-CB 3.22Å; G51-I55 WeakPolarHBondContact O-CD1 3.44Å; G51-I55 WeakPolarHBondContact O-CG1 3.33Å; G51-I55 PolarHBondContact O-N 2.83Å; G51-S367 VanDerWaalsContact CA-O 3.28Å; G51-S367 WeakPolarHBondContact CA-O 3.34Å
52	D	76.4	Confident	73.5	Confident	95 Å²	95	73.9 Å²	73.9	51%	0.508	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-36.1	173.1	-61.5	-30.4	0	0	0	113	T50 K56 S367	T50-D52 PolarHBondContact O-N 3.21Å; T50-D52 VanDerWaalsContact O-N 3.11Å; D52-K56 WeakPolarHBondContact O-CB 3.48Å; D52-K56 PolarHBondContact O-N 2.65Å; D52-S367 PolarHBondContact N-OG 3.16Å; D52-S367 VanDerWaalsContact N-OG 3.13Å; D52-S367 WeakPolarHBondContact OD1-CB 3.22Å; D52-S367 PolarHBondContact OD1-OG 2.68Å
53	Q	78.3	Confident	74.9	Confident	69 Å²	69	70.2 Å²	70.2	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-70.4	-40.2	173.3	-75.6	172.6	-19.9	0	0	111.9	N47 Y49 T50 G51 I55 K56 N57	N47-Q53 PolarHBondContact O-NE2 2.95Å; N47-Q53 PolarHBondContact O-OE1 2.8Å; Y49-Q53 HydrophobicContact CD1-CB 4.42Å; T50-Q53 VanDerWaalsContact N-OE1 3.12Å; T50-Q53 WeakPolarHBondContact O-CA 3.4Å; T50-Q53 WeakPolarHBondContact O-CB 3.25Å; T50-Q53 PolarHBondContact O-N 3.06Å; T50-Q53 WeakPolarHBondContact OG1-CG 3.38Å; T50-Q53 PolarHBondContact OG1-N 3.11Å; G51-Q53 VanDerWaalsContact C-N 3.33Å; G51-Q53 PolarHBondContact O-N 3.11Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; Q53-K56 PolarHBondContact O-N 3Å; Q53-N57 WeakPolarHBondContact O-CB 3.44Å; Q53-N57 VanDerWaalsContact O-CG 3.27Å; Q53-N57 PolarHBondContact O-N 3.21Å
54	I	81.2	Confident	76.2	Confident	32 Å²	32	66.4 Å²	66.4	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-50.1	173.5	-63.2	174.5	0	0	0	109	Y49 T50 G51 K56 N57 L58 A111 L370	Y49-I54 HydrophobicContact CD1-CG1 3.58Å; Y49-I54 HydrophobicContact CG-CG1 4.09Å; T50-I54 PolarHBondContact O-N 3.15Å; T50-I54 VanDerWaalsContact O-N 3.11Å; G51-I54 WeakPolarHBondContact O-CB 3.44Å; G51-I54 PolarHBondContact O-N 3.19Å; I54-K56 PolarHBondContact O-N 2.98Å; I54-N57 PolarHBondContact O-N 2.74Å; I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 VanDerWaalsContact O-CG 3.26Å; I54-L58 WeakPolarHBondContact O-CG 3.47Å; I54-L58 PolarHBondContact O-N 3.24Å; I54-A111 HydrophobicContact CG2-CB 4.39Å; I54-L370 HydrophobicContact CD1-CB 4.44Å; I54-L370 WeakPolarHBondContact CD1-O 3.36Å
55	I	84.9	Confident	77.6	Confident	22 Å²	22	63.7 Å²	63.7	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-58.4	-49.9	177.8	-66.2	163.8	0	0	0	110.1	G51 Q53 N57 L58 T59 L206 M363 L370	G51-I55 WeakPolarHBondContact O-CB 3.22Å; G51-I55 WeakPolarHBondContact O-CD1 3.44Å; G51-I55 WeakPolarHBondContact O-CG1 3.33Å; G51-I55 PolarHBondContact O-N 2.83Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; I55-N57 VanDerWaalsContact C-N 3.31Å; I55-N57 PolarHBondContact O-N 2.9Å; I55-L58 CarbonylContact O-C 3.35Å; I55-L58 PolarHBondContact O-N 2.97Å; I55-T59 HydrophobicContact CG2-CG2 4.41Å; I55-T59 WeakPolarHBondContact O-CG2 3.39Å; I55-T59 PolarHBondContact O-N 3.48Å; I55-L206 HydrophobicContact CD1-CD1 4.26Å; I55-L206 HydrophobicContact CG1-CD1 3.96Å; I55-M363 HydrophobicContact CD1-CE 3.89Å; I55-L370 HydrophobicContact CD1-CD1 4.18Å; I55-L370 HydrophobicContact CG1-CD1 3.89Å
56	K	85.6	Confident	78.5	Confident	149 Å²	149	67.5 Å²	67.5	65%	0.648	34%	0.34	S	S	*	.	H	α-helix	trans	-62.4	-32.6	179.8	-174.4	-179.4	-179.7	-176.7	0	113.6	D52 Q53 I54 T59	D52-K56 WeakPolarHBondContact O-CB 3.48Å; D52-K56 PolarHBondContact O-N 2.65Å; Q53-K56 PolarHBondContact O-N 3Å; I54-K56 PolarHBondContact O-N 2.98Å; K56-T59 PolarHBondContact O-OG1 2.92Å
57	N	86	Confident	79	Confident	88 Å²	88	66.7 Å²	66.7	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-72.3	-36.9	174.6	-73.3	-4.1	0	0	0	110.8	Q53 I54 I55	Q53-N57 WeakPolarHBondContact O-CB 3.44Å; Q53-N57 VanDerWaalsContact O-CG 3.27Å; Q53-N57 PolarHBondContact O-N 3.21Å; I54-N57 PolarHBondContact O-N 2.74Å; I55-N57 VanDerWaalsContact C-N 3.31Å; I55-N57 PolarHBondContact O-N 2.9Å
58	L	88.7	Confident	79.6	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-74.3	-26.7	178.6	-68	170	0	0	0	113.1	I54 I55 N60 T61 C62 I110 A111 F203	I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 VanDerWaalsContact O-CG 3.26Å; I54-L58 WeakPolarHBondContact O-CG 3.47Å; I54-L58 PolarHBondContact O-N 3.24Å; I55-L58 CarbonylContact O-C 3.35Å; I55-L58 PolarHBondContact O-N 2.97Å; L58-N60 PolarHBondContact O-N 3.1Å; L58-T61 PolarHBondContact O-N 3.45Å; L58-T61 PolarHBondContact O-OG1 3.12Å; L58-C62 WeakPolarHBondContact O-CB 3.29Å; L58-C62 PolarHBondContact O-N 3.46Å; L58-C62 PolarHBondContact O-SG 2.78Å; L58-I110 WeakPolarHBondContact CD1-O 3.32Å; L58-A111 HydrophobicContact CD1-CB 3.62Å; L58-F203 HydrophobicContact CD2-CD2 3.46Å; L58-F203 VanDerWaalsContact CD2-CD2 3.46Å; L58-F203 HydrophobicContact CD2-CE2 3.77Å; L58-F203 HydrophobicContact CD2-CG 4.23Å
59	T	87	Confident	79.4	Confident	66 Å²	66	66.3 Å²	66.3	41%	0.405	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.7	-179	48.4	0	0	0	0	113.8	I55 K56	I55-T59 HydrophobicContact CG2-CG2 4.41Å; I55-T59 WeakPolarHBondContact O-CG2 3.39Å; I55-T59 PolarHBondContact O-N 3.48Å; K56-T59 PolarHBondContact O-OG1 2.92Å
60	N	86.2	Confident	79.1	Confident	120 Å²	120	67.1 Å²	67.1	64%	0.642	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-25	179.3	-66.3	-24.7	0	0	0	113.3	L58	L58-N60 PolarHBondContact O-N 3.1Å
61	T	91.5	Very high	78.5	Confident	70 Å²	70	65.8 Å²	65.8	43%	0.429	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-21.6	-170.5	59.3	0	0	0	0	113.8	L58	L58-T61 PolarHBondContact O-N 3.45Å; L58-T61 PolarHBondContact O-OG1 3.12Å
62	C	95.2	Very high	77	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.027	37%	0.371	C	S	.	.	S	Bend	trans	-70.3	164.5	-179.4	64.1	0	0	0	0	112.8	L58 I64 F203 C205 R334	L58-C62 WeakPolarHBondContact O-CB 3.29Å; L58-C62 PolarHBondContact O-N 3.46Å; L58-C62 PolarHBondContact O-SG 2.78Å; C62-I64 VanDerWaalsContact C-N 3.33Å; C62-I64 PolarHBondContact O-N 2.92Å; C62-F203 CarbonylContact C-O 3.51Å; C62-F203 VanDerWaalsContact CA-O 3.29Å; C62-F203 WeakPolarHBondContact CA-O 3.16Å; C62-F203 HydrophobicContact CB-CB 4.23Å; C62-F203 WeakPolarHBondContact CB-O 3.3Å; C62-C205 HydrophobicContact CB-CB 4.01Å; C62-C205 WeakPolarHBondContact CB-SG 3.29Å; C62-C205 PolarHBondContact O-SG 3.19Å; C62-C205 WeakPolarHBondContact SG-CA 3.41Å; C62-C205 WeakPolarHBondContact SG-CB 3.44Å; C62-C205 CovalentContact SG-SG 2.04Å; C62-C205 PolarHBondContact SG-SG 3.17Å; C62-R334 WeakPolarHBondContact O-CD 3.36Å; C62-R334 PolarHBondContact O-NE 2.99Å
63	G	95	Very high	75.4	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.01	39%	0.385	C	S	.	.	S	Bend	trans	71.4	21	162.6	0	0	0	0	0	115.1	F203 C205 W335	G63-F203 PolarHBondContact N-O 2.66Å; G63-C205 PolarHBondContact N-SG 2.65Å; G63-W335 VanDerWaalsContact CA-O 3.31Å; G63-W335 WeakPolarHBondContact CA-O 3.45Å; G63-W335 PolarHBondContact O-N 3.29Å
64	I	92.4	Very high	73.4	Confident	79 Å²	79	82.2 Å²	82.2	41%	0.405	41%	0.407	S	S	.	.			trans	-94.9	114.3	179.4	-59	174.7	0	0	0	109.5	C62 W88	C62-I64 VanDerWaalsContact C-N 3.33Å; C62-I64 PolarHBondContact O-N 2.92Å; I64-W88 WeakPolarHBondContact O-CZ3 3.18Å
65	R	88.9	Confident	71.5	Confident	13 Å²	13	87.1 Å²	87.1	5%	0.049	43%	0.433	C	S	.	.			trans	-107.2	121.4	175.6	174.7	164.3	-169.4	-146.9	-1.4	109.8	S67 D68 S85 W86 W88 E283	R65-S67 VanDerWaalsContact C-N 3.32Å; R65-S67 PolarHBondContact NE-OG 3.26Å; R65-S67 PolarHBondContact NH2-OG 2.89Å; R65-S67 PolarHBondContact O-N 2.92Å; R65-D68 WeakPolarHBondContact CB-OD1 3.21Å; R65-D68 WeakPolarHBondContact CD-OD1 3.36Å; R65-D68 VanDerWaalsContact CG-OD1 3.28Å; R65-D68 WeakPolarHBondContact CG-OD1 3.42Å; R65-S85 WeakPolarHBondContact CD-O 3.18Å; R65-S85 VanDerWaalsContact CG-O 3.24Å; R65-S85 WeakPolarHBondContact CG-O 3.42Å; R65-S85 PolarHBondContact NE-O 2.72Å; R65-S85 PolarHBondContact NH2-OG 3.26Å; R65-S85 VanDerWaalsContact NH2-OG 3.09Å; R65-W86 VanDerWaalsContact NH1-CZ2 3.28Å; R65-W88 HydrophobicContact CB-CH2 4.02Å; R65-E283 IonicContact CZ-OE2 3.11Å; R65-E283 IonicContact NH1-OE2 2.72Å; R65-E283 PolarHBondContact NH1-OE2 2.97Å; R65-E283 IonicContact NH2-OE1 2.68Å; R65-E283 PolarHBondContact NH2-OE1 3.46Å; R65-E283 IonicContact NH2-OE2 3.43Å; R65-E283 PolarHBondContact NH2-OE2 2.88Å
66	K	76.5	Confident	69.5	Low	146 Å²	146	92.8 Å²	92.8	64%	0.635	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-66.4	-31.7	-175.7	-68.3	-170.5	174.6	-158.4	0	113.8	D68	K66-D68 VanDerWaalsContact C-N 3.28Å; K66-D68 PolarHBondContact O-N 3.17Å
67	S	67.2	Low	68.2	Low	15 Å²	15	87.1 Å²	87.1	11%	0.105	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-84.1	7.7	-173.5	66.3	0	0	0	0	114.3	R65 N69 Q70 E82 S85	R65-S67 VanDerWaalsContact C-N 3.32Å; R65-S67 PolarHBondContact NE-OG 3.26Å; R65-S67 PolarHBondContact NH2-OG 2.89Å; R65-S67 PolarHBondContact O-N 2.92Å; S67-N69 PolarHBondContact O-N 3.48Å; S67-N69 VanDerWaalsContact O-N 3.09Å; S67-Q70 PolarHBondContact O-N 2.73Å; S67-Q70 VanDerWaalsContact O-N 3.13Å; S67-E82 WeakPolarHBondContact CB-OE2 3.27Å; S67-S85 WeakPolarHBondContact OG-CB 3.31Å
68	D	64.3	Low	67.2	Low	45 Å²	45	85 Å²	85	24%	0.241	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-63.8	-19.8	-174	-77.9	-9.6	0	0	0	113.2	R65 K66 Q70 I71 W335	R65-D68 WeakPolarHBondContact CB-OD1 3.21Å; R65-D68 WeakPolarHBondContact CD-OD1 3.36Å; R65-D68 VanDerWaalsContact CG-OD1 3.28Å; R65-D68 WeakPolarHBondContact CG-OD1 3.42Å; K66-D68 VanDerWaalsContact C-N 3.28Å; K66-D68 PolarHBondContact O-N 3.17Å; D68-Q70 PolarHBondContact O-N 2.65Å; D68-Q70 VanDerWaalsContact O-N 3.14Å; D68-I71 HydrophobicContact CB-CD1 4.38Å; D68-I71 WeakPolarHBondContact OD1-CD1 3.36Å; D68-W335 PolarHBondContact OD1-NE1 2.9Å; D68-W335 VanDerWaalsContact OD1-NE1 3.17Å; D68-W335 PolarHBondContact OD2-NE1 2.98Å
69	N	49.2	Very low	66.7	Low	165 Å²	165	87.9 Å²	87.9	88%	0.882	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-69	-3.8	175.4	-73.2	-15.5	0	0	0	114.6	S67	S67-N69 PolarHBondContact O-N 3.48Å; S67-N69 VanDerWaalsContact O-N 3.09Å
70	Q	48.1	Very low	66.3	Low	151 Å²	151	86.9 Å²	86.9	71%	0.706	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-132.9	25.6	-179.9	-77.3	-169.5	1.2	0	0	114.2	S67 D68 M72	S67-Q70 PolarHBondContact O-N 2.73Å; S67-Q70 VanDerWaalsContact O-N 3.13Å; D68-Q70 PolarHBondContact O-N 2.65Å; D68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-M72 PolarHBondContact O-N 2.95Å
71	I	54.1	Low	66.2	Low	29 Å²	29	81.4 Å²	81.4	15%	0.149	43%	0.426	C	S	.	.			trans	-73.5	76.1	173.4	-52.4	170.5	0	0	0	109.4	D68 E73 Y220 W335	D68-I71 HydrophobicContact CB-CD1 4.38Å; D68-I71 WeakPolarHBondContact OD1-CD1 3.36Å; I71-E73 PolarHBondContact O-N 3.07Å; I71-Y220 WeakPolarHBondContact CG2-OH 3.44Å; I71-W335 HydrophobicContact CD1-CZ2 3.88Å
72	M	40.5	Very low	65.8	Low	158 Å²	158	83.3 Å²	83.3	78%	0.778	43%	0.43	S	S	*	.			trans	-57.6	120.3	168	-74.1	-80	-75.9	0	0	107.6	Q70 K74	Q70-M72 PolarHBondContact O-N 2.95Å; M72-K74 PolarHBondContact O-N 2.83Å
73	E	41.7	Very low	65.4	Low	173 Å²	173	86.6 Å²	86.6	81%	0.808	45%	0.451	S	S	*	.	S	Bend	trans	-51.8	136.5	173.3	-67.7	-173.4	152.5	0	0	110.4	I71	I71-E73 PolarHBondContact O-N 3.07Å
74	K	38.2	Very low	64.9	Low	180 Å²	180	88.6 Å²	88.6	78%	0.783	46%	0.46	S	S	*	.			trans	76.5	73.8	142.1	-147	177.7	-164.4	174.5	0	116	M72	M72-K74 PolarHBondContact O-N 2.83Å
75	I	40.4	Very low	64.8	Low	136 Å²	136	85.2 Å²	85.2	70%	0.697	44%	0.444	S	S	*	.			trans	-118.4	133.4	153.9	-55.2	-176.3	0	0	0	109.1
76	L	43.8	Very low	65	Low	140 Å²	140	84.9 Å²	84.9	73%	0.733	44%	0.443	S	S	*	.	S	Bend	trans	-80.6	124.7	-178.3	-70.1	159.5	0	0	0	109.3
77	G	56.6	Low	65.9	Low	30 Å²	30	78.2 Å²	78.2	31%	0.309	41%	0.414	S	S	.	.	S	Bend	trans	95.7	152.1	-172.6	0	0	0	0	0	112.3
78	G	65.2	Low	67.3	Low	43 Å²	43	77.5 Å²	77.5	44%	0.443	41%	0.409	S	S	.	.			trans	-62	142.9	176.6	0	0	0	0	0	111.2	E283	G78-E283 CarbonylContact C-O 3.49Å; G78-E283 VanDerWaalsContact CA-O 3.25Å; G78-E283 WeakPolarHBondContact CA-O 3.35Å
79	K	78.3	Confident	68.8	Low	81 Å²	81	75.6 Å²	75.6	35%	0.352	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.5	175.6	67	177.2	-174	177.1	0	110.1	V81 H282 E283	K79-V81 PolarHBondContact O-N 2.85Å; K79-H282 CarbonylContact O-C 3.56Å; K79-H282 VanDerWaalsContact O-CA 3.27Å; K79-H282 WeakPolarHBondContact O-CA 3.08Å; K79-H282 PolarHBondContact O-CD2 2.98Å; K79-E283 WeakPolarHBondContact CE-OE1 3.18Å; K79-E283 HydrophobicContact CG-CG 3.97Å; K79-E283 PolarHBondContact N-O 2.8Å; K79-E283 IonicContact NZ-OE1 3.34Å; K79-E283 PolarHBondContact NZ-OE1 2.84Å; K79-E283 PolarHBondContact O-N 2.98Å
80	A	79.1	Confident	71	Confident	45 Å²	45	67.9 Å²	67.9	37%	0.372	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	131.6	166.8	0	0	0	0	0	108.2	H282	A80-H282 PolarHBondContact N-CD2 2.81Å; A80-H282 VanDerWaalsContact N-CD2 3.3Å; A80-H282 PolarHBondContact N-NE2 2.92Å
81	V	82.9	Confident	73.2	Confident	6 Å²	6	61.3 Å²	61.3	4%	0.036	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-72.9	147.5	-179.4	-173.7	0	0	0	0	108.9	K79 S85 W86 H152 L281 E283	K79-V81 PolarHBondContact O-N 2.85Å; V81-S85 WeakPolarHBondContact CG1-OG 3.49Å; V81-W86 VanDerWaalsContact CG1-CD1 3.4Å; V81-H152 PolarHBondContact O-CE1 2.88Å; V81-L281 HydrophobicContact CB-CD2 4.46Å; V81-L281 HydrophobicContact CB-CG 4.46Å; V81-L281 HydrophobicContact CG2-CB 4.35Å; V81-L281 HydrophobicContact CG2-CD2 4.22Å; V81-L281 HydrophobicContact CG2-CG 3.95Å; V81-L281 WeakPolarHBondContact CG2-O 3.36Å; V81-L281 PolarHBondContact N-O 3.02Å; V81-E283 HydrophobicContact CG2-CB 3.64Å; V81-E283 HydrophobicContact CG2-CG 3.88Å; V81-E283 VanDerWaalsContact CG2-N 3.27Å
82	E	84.5	Confident	75.1	Confident	110 Å²	110	60 Å²	60	51%	0.514	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-53.4	127.9	157.2	-174.1	-179.7	-177.7	0	0	110.2	S67 H84 S85	S67-E82 WeakPolarHBondContact CB-OE2 3.27Å; E82-H84 PolarHBondContact O-N 3.2Å; E82-S85 VanDerWaalsContact O-CB 3.29Å; E82-S85 WeakPolarHBondContact O-CB 3.25Å; E82-S85 PolarHBondContact O-N 2.82Å; E82-S85 PolarHBondContact O-OG 3.44Å
83	P	85.7	Confident	77.4	Confident	72 Å²	72	52.4 Å²	52.4	47%	0.468	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	132.5	-176.9	-29.8	33.6	0	0	0	113.1	S85 H152	P83-S85 PolarHBondContact O-N 3.38Å; P83-H152 HydrophobicContact CB-CB 4.45Å
84	H	84.9	Confident	79.6	Confident	43 Å²	43	44.2 Å²	44.2	20%	0.199	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	12.4	177.8	-42.6	-61.8	0	0	0	116.1	E82 W86 G150 E158 E200	E82-H84 PolarHBondContact O-N 3.2Å; H84-W86 PolarHBondContact O-N 3.12Å; H84-G150 PolarHBondContact CE1-O 3.27Å; H84-G150 PolarHBondContact ND1-O 3.45Å; H84-E158 IonicContact CE1-OE1 2.88Å; H84-E158 IonicContact CE1-OE2 3.13Å; H84-E200 HydrophobicContact CB-CB 3.76Å; H84-E200 HydrophobicContact CB-CG 3.59Å
85	S	89.9	Confident	81.8	Confident	8 Å²	8	40.1 Å²	40.1	6%	0.056	23%	0.227	C	C	.	.			trans	-77.5	-2.1	-179.1	73.9	0	0	0	0	114.9	R65 S67 V81 E82 P83 P87	R65-S85 WeakPolarHBondContact CD-O 3.18Å; R65-S85 VanDerWaalsContact CG-O 3.24Å; R65-S85 WeakPolarHBondContact CG-O 3.42Å; R65-S85 PolarHBondContact NE-O 2.72Å; R65-S85 PolarHBondContact NH2-OG 3.26Å; R65-S85 VanDerWaalsContact NH2-OG 3.09Å; S67-S85 WeakPolarHBondContact OG-CB 3.31Å; V81-S85 WeakPolarHBondContact CG1-OG 3.49Å; E82-S85 VanDerWaalsContact O-CB 3.29Å; E82-S85 WeakPolarHBondContact O-CB 3.25Å; E82-S85 PolarHBondContact O-N 2.82Å; E82-S85 PolarHBondContact O-OG 3.44Å; P83-S85 PolarHBondContact O-N 3.38Å; S85-P87 WeakPolarHBondContact O-CD 2.99Å
86	W	93.8	Very high	83.8	Confident	7 Å²	7	34.4 Å²	34.4	3%	0.027	20%	0.198	C	C	.	.			trans	-117.5	79.6	168.5	-72.2	102.4	0	0	0	110.2	R65 V81 H84 W88 A89 Y220 V222 L281 E283 Y326 W335	R65-W86 VanDerWaalsContact NH1-CZ2 3.28Å; V81-W86 VanDerWaalsContact CG1-CD1 3.4Å; H84-W86 PolarHBondContact O-N 3.12Å; W86-W88 AromaticContact CE3-CE2 3.6Å; W86-W88 AromaticContact CE3-CZ2 3.51Å; W86-W88 HydrophobicContact CE3-CZ2 3.51Å; W86-W88 AromaticContact CE3-NE1 3.35Å; W86-W88 VanDerWaalsContact CE3-NE1 3.35Å; W86-W88 AromaticContact CZ3-CE2 3.96Å; W86-W88 AromaticContact CZ3-CZ2 3.6Å; W86-W88 HydrophobicContact CZ3-CZ2 3.6Å; W86-W88 AromaticContact CZ3-NE1 3.74Å; W86-W88 PolarHBondContact O-N 3.03Å; W86-A89 HydrophobicContact CB-CB 3.95Å; W86-A89 WeakPolarHBondContact O-CB 3.32Å; W86-A89 PolarHBondContact O-N 2.93Å; W86-Y220 HydrophobicContact CH2-CG 4.3Å; W86-Y220 HydrophobicContact CZ2-CD1 4.28Å; W86-Y220 AromaticContact CZ2-CG 3.97Å; W86-Y220 HydrophobicContact CZ2-CG 3.97Å; W86-V222 HydrophobicContact CB-CG1 4.19Å; W86-V222 HydrophobicContact CD2-CG1 4.47Å; W86-V222 HydrophobicContact CD2-CG2 3.55Å; W86-V222 HydrophobicContact CE3-CG2 4.07Å; W86-V222 HydrophobicContact CG-CG1 3.92Å; W86-V222 HydrophobicContact CG-CG2 3.86Å; W86-V222 HydrophobicContact CH2-CG2 4.23Å; W86-V222 HydrophobicContact CZ2-CG2 3.73Å; W86-V222 HydrophobicContact CZ3-CG2 4.38Å; W86-L281 HydrophobicContact CB-CD2 4.26Å; W86-E283 WeakPolarHBondContact CZ2-OE2 3.11Å; W86-E283 PolarHBondContact NE1-OE2 3.26Å; W86-Y326 AromaticContact CE3-CD2 3.82Å; W86-Y326 HydrophobicContact CE3-CD2 3.82Å; W86-Y326 HydrophobicContact CE3-CE2 4.24Å; W86-Y326 HydrophobicContact CE3-CG 4.25Å; W86-Y326 HydrophobicContact CH2-CD2 4.08Å; W86-Y326 HydrophobicContact CH2-CG 4.33Å; W86-Y326 AromaticContact CZ3-CD2 3.48Å; W86-Y326 HydrophobicContact CZ3-CD2 3.48Å; W86-Y326 VanDerWaalsContact CZ3-CD2 3.48Å; W86-Y326 HydrophobicContact CZ3-CE2 4.34Å; W86-Y326 AromaticContact CZ3-CG 3.62Å; W86-Y326 HydrophobicContact CZ3-CG 3.62Å; W86-W335 HydrophobicContact CH2-CD2 4.05Å; W86-W335 AromaticContact CH2-CE3 3.72Å; W86-W335 HydrophobicContact CH2-CE3 3.72Å; W86-W335 HydrophobicContact CH2-CH2 4.09Å; W86-W335 HydrophobicContact CH2-CZ2 4.39Å; W86-W335 AromaticContact CH2-CZ3 3.75Å; W86-W335 HydrophobicContact CH2-CZ3 3.75Å; W86-W335 HydrophobicContact CZ3-CD2 4.14Å; W86-W335 HydrophobicContact CZ3-CE3 4.03Å; W86-W335 HydrophobicContact CZ3-CG 4.49Å
87	P	95.2	Very high	85.5	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.032	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.2	-168.2	-25.2	36	0	0	0	115.2	S85 E200 I201 D202	S85-P87 WeakPolarHBondContact O-CD 2.99Å; P87-E200 VanDerWaalsContact CA-O 3.3Å; P87-E200 WeakPolarHBondContact CA-O 3.45Å; P87-I201 WeakPolarHBondContact O-CA 3.44Å; P87-D202 CarbonylContact C-O 3.44Å; P87-D202 HydrophobicContact CB-CB 3.69Å; P87-D202 VanDerWaalsContact CB-N 3.29Å; P87-D202 HydrophobicContact CG-CB 4.49Å; P87-D202 PolarHBondContact O-N 2.89Å; P87-D202 VanDerWaalsContact O-N 3.09Å
88	W	96.8	Very high	86.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-4.4	180	48.1	76.7	0	0	0	113.8	I64 R65 W86 V90 T108 L109 D202 A204 Y326 W335	I64-W88 WeakPolarHBondContact O-CZ3 3.18Å; R65-W88 HydrophobicContact CB-CH2 4.02Å; W86-W88 AromaticContact CE3-CE2 3.6Å; W86-W88 AromaticContact CE3-CZ2 3.51Å; W86-W88 HydrophobicContact CE3-CZ2 3.51Å; W86-W88 AromaticContact CE3-NE1 3.35Å; W86-W88 VanDerWaalsContact CE3-NE1 3.35Å; W86-W88 AromaticContact CZ3-CE2 3.96Å; W86-W88 AromaticContact CZ3-CZ2 3.6Å; W86-W88 HydrophobicContact CZ3-CZ2 3.6Å; W86-W88 AromaticContact CZ3-NE1 3.74Å; W86-W88 PolarHBondContact O-N 3.03Å; W88-V90 PolarHBondContact O-N 2.74Å; W88-T108 HydrophobicContact CB-CG2 4.28Å; W88-T108 CarbonylContact O-C 3.59Å; W88-T108 VanDerWaalsContact O-CA 3.3Å; W88-T108 WeakPolarHBondContact O-CA 3.32Å; W88-L109 HydrophobicContact CB-CB 4.42Å; W88-L109 PolarHBondContact O-N 2.82Å; W88-D202 WeakPolarHBondContact CA-O 3.19Å; W88-D202 VanDerWaalsContact CB-O 3.25Å; W88-D202 WeakPolarHBondContact CB-O 3.49Å; W88-D202 PolarHBondContact N-O 3.06Å; W88-A204 HydrophobicContact CB-CB 3.92Å; W88-A204 VanDerWaalsContact CB-N 3.31Å; W88-A204 HydrophobicContact CD2-CB 3.96Å; W88-A204 HydrophobicContact CG-CB 3.59Å; W88-Y326 AromaticContact CD1-CD1 3.87Å; W88-Y326 AromaticContact CD1-CE1 3.28Å; W88-Y326 AromaticContact CD1-CZ 3.38Å; W88-Y326 HydrophobicContact CG-CE1 4.44Å; W88-Y326 AromaticContact NE1-CD1 3.37Å; W88-Y326 AromaticContact NE1-CD2 3.92Å; W88-Y326 AromaticContact NE1-CE1 3.3Å; W88-Y326 VanDerWaalsContact NE1-CE1 3.3Å; W88-Y326 AromaticContact NE1-CE2 3.83Å; W88-Y326 AromaticContact NE1-CG 3.69Å; W88-Y326 AromaticContact NE1-CZ 3.54Å; W88-W335 HydrophobicContact CH2-CB 3.67Å; W88-W335 HydrophobicContact CH2-CG 4.02Å; W88-W335 HydrophobicContact CZ2-CB 3.44Å; W88-W335 VanDerWaalsContact CZ2-CB 3.44Å; W88-W335 AromaticContact CZ2-CG 3.86Å; W88-W335 HydrophobicContact CZ2-CG 3.86Å
89	A	95.7	Very high	87.1	Confident	6 Å²	6	44.1 Å²	44.1	5%	0.05	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.5	175.3	0	0	0	0	0	109.6	W86 V222 W224 L281	W86-A89 HydrophobicContact CB-CB 3.95Å; W86-A89 WeakPolarHBondContact O-CB 3.32Å; W86-A89 PolarHBondContact O-N 2.93Å; A89-V222 HydrophobicContact CB-CG1 4.14Å; A89-W224 HydrophobicContact CB-CH2 4.38Å; A89-L281 HydrophobicContact CB-CD2 4.28Å
90	V	96.2	Very high	87	Confident	2 Å²	2	51 Å²	51	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.8	-178.8	178.5	0	0	0	0	109.7	W88 L92 G106 G107 L109 I115 A147 L149	W88-V90 PolarHBondContact O-N 2.74Å; V90-L92 HydrophobicContact CG1-CD2 4.03Å; V90-G106 CarbonylContact O-C 3.51Å; V90-G106 VanDerWaalsContact O-CA 3.32Å; V90-G106 WeakPolarHBondContact O-CA 3.3Å; V90-G107 PolarHBondContact N-O 3.06Å; V90-G107 PolarHBondContact O-N 3.03Å; V90-L109 HydrophobicContact CG2-CB 4.06Å; V90-I115 HydrophobicContact CG1-CD1 3.92Å; V90-I115 HydrophobicContact CG2-CD1 4.35Å; V90-I115 HydrophobicContact CG2-CG1 4.27Å; V90-A147 HydrophobicContact CG1-CB 3.74Å; V90-L149 HydrophobicContact CG2-CD2 4.1Å; V90-L149 HydrophobicContact CG2-CG 4.48Å
91	R	93.8	Very high	87	Confident	14 Å²	14	51.3 Å²	51.3	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.4	168.4	-171.3	170.3	59.9	70	6.7	109.2	T103 H148 D151 W224	R91-T103 WeakPolarHBondContact CD-OG1 3.42Å; R91-T103 HydrophobicContact CG-CG2 3.45Å; R91-T103 VanDerWaalsContact CG-CG2 3.45Å; R91-T103 PolarHBondContact NH1-OG1 3.3Å; R91-H148 HydrophobicContact CB-CB 4.18Å; R91-H148 PolarHBondContact N-O 3.47Å; R91-H148 VanDerWaalsContact N-O 3.14Å; R91-H148 PolarHBondContact NH1-CD2 2.9Å; R91-H148 PolarHBondContact NH1-NE2 3.32Å; R91-H148 PolarHBondContact NH2-CD2 3.06Å; R91-H148 VanDerWaalsContact NH2-CD2 3.29Å; R91-H148 PolarHBondContact O-CD2 3.03Å; R91-H148 VanDerWaalsContact O-CD2 3.26Å; R91-H148 PolarHBondContact O-N 3.09Å; R91-D151 IonicContact CZ-OD2 3.04Å; R91-D151 IonicContact NE-OD2 3.97Å; R91-D151 PolarHBondContact NE-OD2 3.02Å; R91-D151 IonicContact NH2-OD2 2.91Å; R91-D151 PolarHBondContact NH2-OD2 3.49Å; R91-W224 HydrophobicContact CB-CD2 4.28Å; R91-W224 HydrophobicContact CB-CE3 3.87Å; R91-W224 HydrophobicContact CB-CH2 3.77Å; R91-W224 HydrophobicContact CB-CZ2 4.17Å; R91-W224 HydrophobicContact CB-CZ3 3.61Å; R91-W224 HydrophobicContact CG-CD2 4.29Å; R91-W224 HydrophobicContact CG-CE3 4.08Å; R91-W224 HydrophobicContact CG-CZ3 4.34Å
92	L	93	Very high	86.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.9	173.5	-60.5	177.2	0	0	0	109.8	V90 T103 F104 C105 G106 T117 Y146 A147 L189	V90-L92 HydrophobicContact CG1-CD2 4.03Å; L92-T103 WeakPolarHBondContact O-CA 2.95Å; L92-F104 HydrophobicContact CB-CE1 3.89Å; L92-F104 HydrophobicContact CB-CE2 4.47Å; L92-F104 HydrophobicContact CB-CZ 3.81Å; L92-F104 HydrophobicContact CD1-CZ 4.43Å; L92-F104 PolarHBondContact O-N 3.34Å; L92-C105 WeakPolarHBondContact CA-O 3.45Å; L92-C105 HydrophobicContact CB-CB 4.32Å; L92-C105 WeakPolarHBondContact CB-O 3.46Å; L92-C105 HydrophobicContact CD1-CB 4.18Å; L92-C105 PolarHBondContact N-O 2.87Å; L92-G106 WeakPolarHBondContact CD1-O 3.47Å; L92-T117 HydrophobicContact CD1-CG2 4.23Å; L92-Y146 WeakPolarHBondContact CA-O 2.89Å; L92-A147 HydrophobicContact CD2-CB 4.07Å; L92-L189 HydrophobicContact CD1-CD1 3.81Å; L92-L189 HydrophobicContact CD2-CD1 4.06Å
93	S	89.6	Confident	86.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	155.6	172.4	79.9	0	0	0	0	111.8	S101 V102 I145 Y146 H148	S93-S101 VanDerWaalsContact CB-OG 3.27Å; S93-S101 WeakPolarHBondContact CB-OG 3.28Å; S93-S101 PolarHBondContact OG-OG 3.09Å; S93-V102 CarbonylContact C-O 3.58Å; S93-V102 WeakPolarHBondContact CA-O 3.25Å; S93-V102 WeakPolarHBondContact CB-O 3.29Å; S93-I145 CarbonylContact O-C 3.56Å; S93-I145 WeakPolarHBondContact O-CA 3.41Å; S93-Y146 PolarHBondContact N-O 2.9Å; S93-Y146 PolarHBondContact O-N 2.81Å; S93-H148 VanDerWaalsContact CB-NE2 3.31Å; S93-H148 WeakPolarHBondContact CB-NE2 3.3Å; S93-H148 PolarHBondContact OG-NE2 3.27Å
94	V	87.2	Confident	86.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.2	177.5	67.3	0	0	0	0	110.3	S101 V102 F104 V124 M141 T144 I145 L242 L245	V94-S101 WeakPolarHBondContact O-CA 3.41Å; V94-S101 PolarHBondContact O-OG 2.85Å; V94-V102 PolarHBondContact N-O 3.41Å; V94-V102 PolarHBondContact O-N 2.88Å; V94-F104 HydrophobicContact CB-CD1 3.85Å; V94-F104 HydrophobicContact CB-CE1 3.91Å; V94-F104 HydrophobicContact CG1-CD1 3.85Å; V94-F104 HydrophobicContact CG1-CE1 4.4Å; V94-V124 HydrophobicContact CB-CG1 4.41Å; V94-V124 HydrophobicContact CG1-CG1 4.24Å; V94-V124 HydrophobicContact CG2-CG1 3.88Å; V94-M141 HydrophobicContact CG2-CE 4.16Å; V94-T144 WeakPolarHBondContact CA-O 3.41Å; V94-I145 HydrophobicContact CG2-CG1 4.42Å; V94-L242 HydrophobicContact CG1-CD2 3.78Å; V94-L245 HydrophobicContact CG1-CD1 4.38Å
95	K	86.1	Confident	86.4	Confident	94 Å²	94	43.8 Å²	43.8	41%	0.409	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	112.8	-179.5	-173.3	178.2	-179.1	176.3	0	110.1	S143 T144 Y146	K95-S143 WeakPolarHBondContact O-CA 3.05Å; K95-T144 PolarHBondContact N-O 3.14Å; K95-T144 PolarHBondContact O-N 2.75Å; K95-Y146 HydrophobicContact CB-CD2 4.15Å; K95-Y146 HydrophobicContact CB-CE2 3.83Å; K95-Y146 HydrophobicContact CD-CE2 3.99Å
96	L	82.4	Confident	86.5	Confident	17 Å²	17	43.6 Å²	43.6	9%	0.089	20%	0.199	C	C	.	.			trans	-74.5	153	167.2	-74	75.1	0	0	0	110	R98 R99 S143 L245 F246	L96-R98 PolarHBondContact O-N 3.13Å; L96-R99 HydrophobicContact CB-CB 3.98Å; L96-R99 HydrophobicContact CB-CG 3.91Å; L96-R99 HydrophobicContact CD2-CG 4.45Å; L96-R99 PolarHBondContact O-N 3.03Å; L96-R99 VanDerWaalsContact O-N 3.12Å; L96-S143 WeakPolarHBondContact CA-OG 3.27Å; L96-S143 VanDerWaalsContact CD1-OG 3.23Å; L96-S143 WeakPolarHBondContact CD1-OG 3.41Å; L96-S143 WeakPolarHBondContact CG-OG 3.23Å; L96-L245 HydrophobicContact CD1-CB 3.86Å; L96-L245 HydrophobicContact CD1-CD1 3.84Å; L96-L245 HydrophobicContact CD1-CG 4.33Å; L96-L245 HydrophobicContact CD2-CB 4.29Å; L96-F246 HydrophobicContact CD1-CE1 4.45Å; L96-F246 HydrophobicContact CD1-CZ 4.19Å; L96-F246 HydrophobicContact CD2-CD1 3.75Å; L96-F246 HydrophobicContact CD2-CE1 3.37Å; L96-F246 HydrophobicContact CD2-CZ 3.92Å; L96-F246 HydrophobicContact CG-CE1 4.03Å; L96-F246 HydrophobicContact CG-CZ 4.22Å
97	P	78.7	Confident	86.6	Confident	87 Å²	87	43.3 Å²	43.3	57%	0.565	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	128.3	167.8	-25.1	34.3	0	0	0	111.2	R99	P97-R99 PolarHBondContact O-N 3.24Å
98	R	77.8	Confident	86.7	Confident	250 Å²	250	43.1 Å²	43.1	94%	0.943	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	14	179.8	-49.6	-176.2	175.4	109.5	-1.6	116.1	L96	L96-R98 PolarHBondContact O-N 3.13Å
99	R	76.5	Confident	86.8	Confident	79 Å²	79	43.1 Å²	43.1	30%	0.298	20%	0.197	S	C	.	.	S	Bend	trans	-115.8	163.8	173	-58.6	-68	-168	142.2	9.1	111.1	L96 P97 L247	L96-R99 HydrophobicContact CB-CB 3.98Å; L96-R99 HydrophobicContact CB-CG 3.91Å; L96-R99 HydrophobicContact CD2-CG 4.45Å; L96-R99 PolarHBondContact O-N 3.03Å; L96-R99 VanDerWaalsContact O-N 3.12Å; P97-R99 PolarHBondContact O-N 3.24Å; R99-L247 PolarHBondContact NH2-O 2.9Å
100	R	77.1	Confident	86.8	Confident	225 Å²	225	42.9 Å²	42.9	85%	0.849	20%	0.195	S	C	*	.			trans	-68.7	152.3	170	-69.4	-174	177.4	174.2	-1.5	109.8
101	S	78.9	Confident	86.8	Confident	53 Å²	53	42.9 Å²	42.9	37%	0.371	20%	0.195	S	C	.	.			trans	-69.9	145.3	171.8	-152.2	0	0	0	0	109.9	S93 V94	S93-S101 VanDerWaalsContact CB-OG 3.27Å; S93-S101 WeakPolarHBondContact CB-OG 3.28Å; S93-S101 PolarHBondContact OG-OG 3.09Å; V94-S101 WeakPolarHBondContact O-CA 3.41Å; V94-S101 PolarHBondContact O-OG 2.85Å
102	V	78.5	Confident	86.7	Confident	28 Å²	28	44.6 Å²	44.6	17%	0.17	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.8	175.5	-179.2	0	0	0	0	109.6	S93 V94 I241 L245	S93-V102 CarbonylContact C-O 3.58Å; S93-V102 WeakPolarHBondContact CA-O 3.25Å; S93-V102 WeakPolarHBondContact CB-O 3.29Å; V94-V102 PolarHBondContact N-O 3.41Å; V94-V102 PolarHBondContact O-N 2.88Å; V102-I241 HydrophobicContact CB-CG2 4.46Å; V102-I241 HydrophobicContact CG1-CG2 3.4Å; V102-L245 HydrophobicContact CB-CD1 3.92Å; V102-L245 HydrophobicContact CG2-CD1 3.7Å; V102-L245 HydrophobicContact CG2-CD2 3.68Å; V102-L245 HydrophobicContact CG2-CG 4.11Å
103	T	77.4	Confident	86.7	Confident	36 Å²	36	46 Å²	46	22%	0.221	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.3	170.7	-58.7	0	0	0	0	109.1	R91 L92	R91-T103 WeakPolarHBondContact CD-OG1 3.42Å; R91-T103 HydrophobicContact CG-CG2 3.45Å; R91-T103 VanDerWaalsContact CG-CG2 3.45Å; R91-T103 PolarHBondContact NH1-OG1 3.3Å; L92-T103 WeakPolarHBondContact O-CA 2.95Å
104	F	78.3	Confident	87	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-24.2	-176.4	72.2	-88.5	0	0	0	113.7	L92 V94 C121 V124 I145 I238	L92-F104 HydrophobicContact CB-CE1 3.89Å; L92-F104 HydrophobicContact CB-CE2 4.47Å; L92-F104 HydrophobicContact CB-CZ 3.81Å; L92-F104 HydrophobicContact CD1-CZ 4.43Å; L92-F104 PolarHBondContact O-N 3.34Å; V94-F104 HydrophobicContact CB-CD1 3.85Å; V94-F104 HydrophobicContact CB-CE1 3.91Å; V94-F104 HydrophobicContact CG1-CD1 3.85Å; V94-F104 HydrophobicContact CG1-CE1 4.4Å; F104-C121 HydrophobicContact CE2-CB 3.93Å; F104-C121 WeakPolarHBondContact CE2-O 3.32Å; F104-V124 HydrophobicContact CD2-CG2 4.37Å; F104-V124 HydrophobicContact CE2-CG2 4.09Å; F104-V124 HydrophobicContact CZ-CG2 4.15Å; F104-I145 HydrophobicContact CE1-CG2 4.24Å; F104-I145 HydrophobicContact CZ-CD1 4.34Å; F104-I145 HydrophobicContact CZ-CG2 4.24Å; F104-I238 HydrophobicContact CD2-CD1 4.37Å
105	C	90.6	Very high	87.5	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	165.3	178.2	-82.6	0	0	0	0	111.7	L92 C121 I238 S321	L92-C105 WeakPolarHBondContact CA-O 3.45Å; L92-C105 HydrophobicContact CB-CB 4.32Å; L92-C105 WeakPolarHBondContact CB-O 3.46Å; L92-C105 HydrophobicContact CD1-CB 4.18Å; L92-C105 PolarHBondContact N-O 2.87Å; C105-C121 HydrophobicContact CB-CB 3.71Å; C105-C121 WeakPolarHBondContact CB-SG 3.42Å; C105-C121 VanDerWaalsContact SG-CA 3.58Å; C105-C121 WeakPolarHBondContact SG-CB 3.33Å; C105-C121 CovalentContact SG-SG 2.03Å; C105-C121 PolarHBondContact SG-SG 3.22Å; C105-I238 VanDerWaalsContact SG-CD1 3.52Å; C105-S321 CarbonylContact C-O 3.57Å; C105-S321 VanDerWaalsContact CA-O 3.32Å; C105-S321 WeakPolarHBondContact CA-O 3.32Å; C105-S321 WeakPolarHBondContact CB-O 3.48Å; C105-S321 PolarHBondContact SG-O 2.94Å
106	G	92.6	Very high	88.1	Confident	5 Å²	5	42.4 Å²	42.4	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	174.2	160.2	0	0	0	0	0	112.7	V90 L92 T117 S321 G322	V90-G106 CarbonylContact O-C 3.51Å; V90-G106 VanDerWaalsContact O-CA 3.32Å; V90-G106 WeakPolarHBondContact O-CA 3.3Å; L92-G106 WeakPolarHBondContact CD1-O 3.47Å; G106-T117 PolarHBondContact O-OG1 2.77Å; G106-S321 PolarHBondContact N-O 3.39Å; G106-G322 CarbonylContact C-O 3.52Å; G106-G322 CarbonylContact O-C 3.46Å
107	G	96.4	Very high	88.8	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	176.4	170.9	0	0	0	0	0	110	V90 L116	V90-G107 PolarHBondContact N-O 3.06Å; V90-G107 PolarHBondContact O-N 3.03Å; G107-L116 CarbonylContact C-O 3.56Å; G107-L116 WeakPolarHBondContact CA-O 3.43Å
108	T	98.1	Very high	89.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.5	177.9	-60.5	0	0	0	0	110.5	W88 I110 I115 L116 A204 Y326 I337	W88-T108 HydrophobicContact CB-CG2 4.28Å; W88-T108 CarbonylContact O-C 3.59Å; W88-T108 VanDerWaalsContact O-CA 3.3Å; W88-T108 WeakPolarHBondContact O-CA 3.32Å; T108-I110 HydrophobicContact CG2-CG2 3.95Å; T108-I110 PolarHBondContact O-N 2.93Å; T108-I115 CarbonylContact O-C 3.39Å; T108-I115 VanDerWaalsContact O-CA 3.23Å; T108-I115 WeakPolarHBondContact O-CA 3.4Å; T108-L116 PolarHBondContact N-O 2.86Å; T108-L116 PolarHBondContact O-N 3.14Å; T108-A204 HydrophobicContact CG2-CB 3.46Å; T108-A204 VanDerWaalsContact CG2-CB 3.46Å; T108-Y326 HydrophobicContact CG2-CE1 3.69Å; T108-Y326 PolarHBondContact OG1-OH 2.78Å; T108-I337 HydrophobicContact CG2-CB 4.33Å; T108-I337 HydrophobicContact CG2-CD1 3.79Å; T108-I337 HydrophobicContact CG2-CG2 4.35Å; T108-I337 WeakPolarHBondContact OG1-CD1 3.32Å
109	L	97.7	Very high	90.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.4	170.8	-161.6	67.6	0	0	0	109.3	W88 V90 I115 L149 L191 V195 I201 F203 A204	W88-L109 HydrophobicContact CB-CB 4.42Å; W88-L109 PolarHBondContact O-N 2.82Å; V90-L109 HydrophobicContact CG2-CB 4.06Å; L109-I115 HydrophobicContact CD1-CG1 3.79Å; L109-L149 HydrophobicContact CB-CD2 4.35Å; L109-L149 HydrophobicContact CD1-CD2 3.65Å; L109-L149 HydrophobicContact CD2-CD2 3.55Å; L109-L149 HydrophobicContact CG-CD2 4.02Å; L109-L191 HydrophobicContact CD1-CD1 4.25Å; L109-V195 HydrophobicContact CD2-CG1 4.49Å; L109-I201 HydrophobicContact CD2-CG2 3.93Å; L109-F203 HydrophobicContact CB-CD1 4.42Å; L109-F203 HydrophobicContact CD2-CD1 3.64Å; L109-F203 HydrophobicContact CD2-CE1 3.48Å; L109-F203 VanDerWaalsContact CD2-CE1 3.48Å; L109-F203 HydrophobicContact CG-CD1 3.63Å; L109-F203 HydrophobicContact CG-CE1 3.74Å; L109-F203 WeakPolarHBondContact O-CA 3.37Å; L109-A204 PolarHBondContact O-N 3.3Å
110	I	96.9	Very high	90.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-15.9	-176.5	59	159.6	0	0	0	113.1	L58 T108 W114 L116 L188 L206 I337 I366 L370	L58-I110 WeakPolarHBondContact CD1-O 3.32Å; T108-I110 HydrophobicContact CG2-CG2 3.95Å; T108-I110 PolarHBondContact O-N 2.93Å; I110-W114 HydrophobicContact CG1-CB 4.15Å; I110-W114 WeakPolarHBondContact CG1-O 3.2Å; I110-W114 PolarHBondContact N-O 2.75Å; I110-L116 HydrophobicContact CD1-CB 4.18Å; I110-L116 HydrophobicContact CG1-CB 4.41Å; I110-L116 HydrophobicContact CG2-CB 3.87Å; I110-L188 HydrophobicContact CD1-CD2 3.56Å; I110-L206 HydrophobicContact CB-CD2 4.35Å; I110-L206 HydrophobicContact CB-CG 4.46Å; I110-L206 HydrophobicContact CD1-CD1 4.37Å; I110-L206 HydrophobicContact CD1-CD2 4.35Å; I110-L206 HydrophobicContact CG2-CD2 4.07Å; I110-I337 HydrophobicContact CG2-CG2 4.16Å; I110-I366 HydrophobicContact CD1-CG2 4.22Å; I110-L370 HydrophobicContact CD1-CD2 4.14Å
111	A	94.4	Very high	91.6	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.008	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	167.6	175.2	0	0	0	0	0	109.4	I54 L58 Q113 W114 F203 L370	I54-A111 HydrophobicContact CG2-CB 4.39Å; L58-A111 HydrophobicContact CD1-CB 3.62Å; A111-Q113 PolarHBondContact O-N 2.93Å; A111-W114 HydrophobicContact CB-CB 4.12Å; A111-W114 PolarHBondContact N-O 3.34Å; A111-W114 PolarHBondContact O-N 3.45Å; A111-F203 WeakPolarHBondContact O-CE1 3.28Å; A111-L370 HydrophobicContact CB-CD2 4.33Å
112	P	92.3	Very high	92.1	Very high	50 Å²	50	9.5 Å²	9.5	33%	0.325	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.4	-170.2	-31.6	35.6	0	0	0	115.9	P194 V195 F203	P112-P194 HydrophobicContact CB-CB 4.1Å; P112-P194 CarbonylContact O-C 3.59Å; P112-P194 WeakPolarHBondContact O-CA 3.41Å; P112-V195 WeakPolarHBondContact O-CB 3.37Å; P112-V195 PolarHBondContact O-N 2.6Å; P112-F203 HydrophobicContact CB-CZ 4.08Å; P112-F203 HydrophobicContact CG-CE1 4.41Å; P112-F203 HydrophobicContact CG-CE2 4.12Å; P112-F203 HydrophobicContact CG-CZ 3.66Å
113	Q	93.4	Very high	92.3	Very high	31 Å²	31	8.7 Å²	8.7	15%	0.145	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	10.6	-178.7	-153.2	179.3	13.3	0	0	112.8	A111 R190 L191 S192 P194	A111-Q113 PolarHBondContact O-N 2.93Å; Q113-R190 VanDerWaalsContact CD-NE 3.33Å; Q113-R190 HydrophobicContact CG-CG 3.89Å; Q113-R190 VanDerWaalsContact O-CA 3.31Å; Q113-R190 WeakPolarHBondContact O-CA 3.4Å; Q113-L191 HydrophobicContact CG-CB 3.97Å; Q113-L191 VanDerWaalsContact CG-O 3.32Å; Q113-L191 WeakPolarHBondContact CG-O 3.41Å; Q113-L191 PolarHBondContact NE2-O 3.25Å; Q113-L191 PolarHBondContact O-N 2.76Å; Q113-S192 PolarHBondContact NE2-O 1.98Å; Q113-P194 HydrophobicContact CB-CB 4.44Å
114	W	96.1	Very high	92.1	Very high	17 Å²	17	7.1 Å²	7.1	6%	0.064	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.4	-168.4	-64.3	104.2	0	0	0	112.6	I110 A111 I170 L188 L189 R190 L370 I374	I110-W114 HydrophobicContact CG1-CB 4.15Å; I110-W114 WeakPolarHBondContact CG1-O 3.2Å; I110-W114 PolarHBondContact N-O 2.75Å; A111-W114 HydrophobicContact CB-CB 4.12Å; A111-W114 PolarHBondContact N-O 3.34Å; A111-W114 PolarHBondContact O-N 3.45Å; W114-I170 HydrophobicContact CH2-CD1 3.77Å; W114-I170 HydrophobicContact CZ3-CD1 3.77Å; W114-L188 HydrophobicContact CE3-CB 4.09Å; W114-L188 HydrophobicContact CZ3-CB 4.18Å; W114-L189 WeakPolarHBondContact CA-O 3.31Å; W114-R190 HydrophobicContact CD2-CG 4.45Å; W114-R190 HydrophobicContact CE3-CB 4.08Å; W114-R190 HydrophobicContact CE3-CG 4.34Å; W114-R190 HydrophobicContact CH2-CB 4.13Å; W114-R190 HydrophobicContact CH2-CG 4.16Å; W114-R190 HydrophobicContact CZ2-CG 4.25Å; W114-R190 HydrophobicContact CZ3-CB 3.8Å; W114-R190 HydrophobicContact CZ3-CG 4.2Å; W114-L370 HydrophobicContact CB-CD2 3.66Å; W114-L370 VanDerWaalsContact CD1-CD2 3.43Å; W114-L370 HydrophobicContact CD2-CD2 3.94Å; W114-L370 HydrophobicContact CG-CD2 3.4Å; W114-L370 VanDerWaalsContact CG-CD2 3.4Å; W114-I374 HydrophobicContact CH2-CD1 4.33Å
115	I	97.9	Very high	91.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.4	173.9	-67.1	159.8	0	0	0	108.9	V90 T108 L109 A147 L188 L189 L191	V90-I115 HydrophobicContact CG1-CD1 3.92Å; V90-I115 HydrophobicContact CG2-CD1 4.35Å; V90-I115 HydrophobicContact CG2-CG1 4.27Å; T108-I115 CarbonylContact O-C 3.39Å; T108-I115 VanDerWaalsContact O-CA 3.23Å; T108-I115 WeakPolarHBondContact O-CA 3.4Å; L109-I115 HydrophobicContact CD1-CG1 3.79Å; I115-A147 HydrophobicContact CD1-CB 3.46Å; I115-A147 VanDerWaalsContact CD1-CB 3.46Å; I115-L188 WeakPolarHBondContact O-CA 3.49Å; I115-L189 HydrophobicContact CB-CB 4.17Å; I115-L189 PolarHBondContact N-O 2.98Å; I115-L189 PolarHBondContact O-N 3.32Å; I115-L191 HydrophobicContact CD1-CD1 4.22Å; I115-L191 HydrophobicContact CD1-CD2 3.48Å; I115-L191 VanDerWaalsContact CD1-CD2 3.48Å; I115-L191 HydrophobicContact CD1-CG 4.02Å
116	L	98.2	Very high	90.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.9	168.2	-164	68.6	0	0	0	109.6	G107 T108 I110 I186 L188 I337 V340 T359 I366	G107-L116 CarbonylContact C-O 3.56Å; G107-L116 WeakPolarHBondContact CA-O 3.43Å; T108-L116 PolarHBondContact N-O 2.86Å; T108-L116 PolarHBondContact O-N 3.14Å; I110-L116 HydrophobicContact CD1-CB 4.18Å; I110-L116 HydrophobicContact CG1-CB 4.41Å; I110-L116 HydrophobicContact CG2-CB 3.87Å; L116-I186 HydrophobicContact CD1-CD1 3.85Å; L116-I186 HydrophobicContact CD1-CG1 3.81Å; L116-I186 HydrophobicContact CD2-CD1 4.35Å; L116-I186 HydrophobicContact CG-CD1 4.36Å; L116-I186 HydrophobicContact CG-CG1 4.35Å; L116-L188 HydrophobicContact CD1-CD2 3.65Å; L116-L188 HydrophobicContact CD1-CG 4.19Å; L116-I337 HydrophobicContact CD2-CD1 3.96Å; L116-I337 HydrophobicContact CD2-CG1 4.42Å; L116-I337 HydrophobicContact CD2-CG2 4.48Å; L116-V340 HydrophobicContact CD2-CG2 3.78Å; L116-V340 HydrophobicContact CG-CG2 3.97Å; L116-T359 HydrophobicContact CD2-CG2 3.96Å; L116-I366 HydrophobicContact CD1-CD1 4.17Å; L116-I366 HydrophobicContact CD1-CG1 4.38Å; L116-I366 HydrophobicContact CD2-CD1 4.33Å
117	T	97.4	Very high	89.9	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	-177.4	176.2	-171.9	0	0	0	0	109.9	L92 G106 A187 L189 G322 V340	L92-T117 HydrophobicContact CD1-CG2 4.23Å; G106-T117 PolarHBondContact O-OG1 2.77Å; T117-A187 HydrophobicContact CG2-CB 4.4Å; T117-A187 PolarHBondContact N-O 3.19Å; T117-A187 PolarHBondContact O-N 2.88Å; T117-L189 HydrophobicContact CG2-CD1 3.73Å; T117-L189 HydrophobicContact CG2-CD2 4.48Å; T117-L189 HydrophobicContact CG2-CG 3.8Å; T117-G322 WeakPolarHBondContact CA-O 3.31Å; T117-G322 WeakPolarHBondContact OG1-CA 3.43Å; T117-G322 PolarHBondContact OG1-O 3.48Å; T117-V340 VanDerWaalsContact C-CG1 3.48Å
118	A	94.8	Very high	89.2	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.			trans	-79	149	175.3	0	0	0	0	0	111.3	H120 C121 D185 V340	A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 VanDerWaalsContact CB-CE1 3.41Å; A118-H120 WeakPolarHBondContact CB-CE1 2.98Å; A118-H120 WeakPolarHBondContact CB-ND1 3.01Å; A118-H120 PolarHBondContact O-N 2.84Å; A118-C121 WeakPolarHBondContact O-CB 3.27Å; A118-C121 PolarHBondContact O-N 3.41Å; A118-D185 WeakPolarHBondContact CA-O 3.4Å; A118-V340 HydrophobicContact CB-CG1 4Å
119	A	94.4	Very high	88.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-68.3	-34.9	178.6	0	0	0	0	0	112	C121 V122 L171 Y175 D185 A187	A119-C121 PolarHBondContact O-N 3.47Å; A119-V122 PolarHBondContact O-N 2.9Å; A119-V122 VanDerWaalsContact O-N 3.07Å; A119-L171 HydrophobicContact CB-CB 4.46Å; A119-L171 HydrophobicContact CB-CD2 4.25Å; A119-L171 HydrophobicContact CB-CG 4.01Å; A119-Y175 HydrophobicContact CB-CD1 3.7Å; A119-Y175 HydrophobicContact CB-CD2 3.49Å; A119-Y175 VanDerWaalsContact CB-CD2 3.49Å; A119-Y175 HydrophobicContact CB-CE1 3.8Å; A119-Y175 HydrophobicContact CB-CE2 3.61Å; A119-Y175 HydrophobicContact CB-CG 3.51Å; A119-D185 PolarHBondContact N-OD1 2.79Å; A119-A187 HydrophobicContact CB-CB 4.26Å
120	H	88.2	Confident	88.2	Confident	15 Å²	15	25 Å²	25	7%	0.069	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.4	177.4	75.1	-98.5	0	0	0	113	A118 V122 L123 Y175 D185 F235 I238 S342	A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 VanDerWaalsContact CB-CE1 3.41Å; A118-H120 WeakPolarHBondContact CB-CE1 2.98Å; A118-H120 WeakPolarHBondContact CB-ND1 3.01Å; A118-H120 PolarHBondContact O-N 2.84Å; H120-V122 PolarHBondContact O-N 3.29Å; H120-L123 PolarHBondContact O-N 3.31Å; H120-Y175 VanDerWaalsContact CA-OH 3.28Å; H120-Y175 WeakPolarHBondContact CA-OH 3.48Å; H120-Y175 VanDerWaalsContact CB-OH 3.3Å; H120-Y175 WeakPolarHBondContact CB-OH 3Å; H120-Y175 PolarHBondContact N-OH 2.95Å; H120-D185 IonicContact CE1-OD2 2.73Å; H120-D185 PolarHBondContact CE1-OD2 3.28Å; H120-D185 IonicContact CG-OD1 3.99Å; H120-D185 IonicContact CG-OD2 3.91Å; H120-D185 PolarHBondContact N-OD1 3.25Å; H120-D185 VanDerWaalsContact ND1-CG 3.31Å; H120-D185 IonicContact ND1-OD1 3.73Å; H120-D185 PolarHBondContact ND1-OD1 2.03Å; H120-D185 VanDerWaalsContact ND1-OD1 3.16Å; H120-D185 IonicContact ND1-OD2 3.6Å; H120-D185 PolarHBondContact ND1-OD2 2.92Å; H120-F235 AromaticContact CE1-CD1 3.79Å; H120-F235 AromaticContact NE2-CD1 3.77Å; H120-I238 VanDerWaalsContact CD2-CD1 3.48Å; H120-I238 WeakPolarHBondContact CD2-CD1 3.26Å; H120-S342 PolarHBondContact CE1-O 3.26Å
121	C	90.3	Very high	88	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.014	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-63.2	-27.8	174.6	-71.3	0	0	0	0	112.8	F104 C105 A118 A119 V124	F104-C121 HydrophobicContact CE2-CB 3.93Å; F104-C121 WeakPolarHBondContact CE2-O 3.32Å; C105-C121 HydrophobicContact CB-CB 3.71Å; C105-C121 WeakPolarHBondContact CB-SG 3.42Å; C105-C121 VanDerWaalsContact SG-CA 3.58Å; C105-C121 WeakPolarHBondContact SG-CB 3.33Å; C105-C121 CovalentContact SG-SG 2.03Å; C105-C121 PolarHBondContact SG-SG 3.22Å; A118-C121 WeakPolarHBondContact O-CB 3.27Å; A118-C121 PolarHBondContact O-N 3.41Å; A119-C121 PolarHBondContact O-N 3.47Å; C121-V124 WeakPolarHBondContact O-CG2 3.28Å
122	V	89.5	Confident	87.7	Confident	3 Å²	3	29 Å²	29	2%	0.018	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-81.2	-20.7	-178	-165.5	0	0	0	0	111.9	A119 H120 V124 I129 L137 A169 L171 A187 L189	A119-V122 PolarHBondContact O-N 2.9Å; A119-V122 VanDerWaalsContact O-N 3.07Å; H120-V122 PolarHBondContact O-N 3.29Å; V122-V124 PolarHBondContact O-N 2.96Å; V122-I129 HydrophobicContact CG1-CD1 3.8Å; V122-I129 VanDerWaalsContact O-CD1 3.28Å; V122-I129 WeakPolarHBondContact O-CD1 3.37Å; V122-L137 HydrophobicContact CG1-CD2 3.88Å; V122-A169 HydrophobicContact CG1-CB 3.5Å; V122-A169 VanDerWaalsContact CG1-CB 3.5Å; V122-A169 HydrophobicContact CG2-CB 4.36Å; V122-L171 HydrophobicContact CB-CD1 3.92Å; V122-L171 HydrophobicContact CG1-CD1 3.94Å; V122-L171 HydrophobicContact CG2-CD1 4.02Å; V122-A187 HydrophobicContact CG2-CB 3.92Å; V122-L189 HydrophobicContact CG2-CD2 3.86Å
123	L	83.9	Confident	87.5	Confident	11 Å²	11	29.6 Å²	29.6	6%	0.058	15%	0.151	C	C	.	.			trans	-82.4	45	-174.2	-59.5	-170.8	0	0	0	113.4	H120 I129 L171 Y175 R177	H120-L123 PolarHBondContact O-N 3.31Å; L123-I129 HydrophobicContact CD2-CB 3.78Å; L123-I129 HydrophobicContact CD2-CD1 4.15Å; L123-I129 HydrophobicContact CD2-CG1 4.1Å; L123-L171 HydrophobicContact CD2-CD2 3.91Å; L123-L171 HydrophobicContact CG-CD2 4.44Å; L123-Y175 HydrophobicContact CD1-CE1 3.77Å; L123-Y175 HydrophobicContact CG-CE1 4.48Å; L123-R177 HydrophobicContact CD1-CB 4.2Å; L123-R177 HydrophobicContact CD1-CG 3.9Å
124	V	72.6	Confident	87.4	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.024	15%	0.149	C	C	.	.	S	Bend	trans	-62.5	-72.8	-175.7	171.8	0	0	0	0	111	V94 F104 C121 V122 M141 I145 L242	V94-V124 HydrophobicContact CB-CG1 4.41Å; V94-V124 HydrophobicContact CG1-CG1 4.24Å; V94-V124 HydrophobicContact CG2-CG1 3.88Å; F104-V124 HydrophobicContact CD2-CG2 4.37Å; F104-V124 HydrophobicContact CE2-CG2 4.09Å; F104-V124 HydrophobicContact CZ-CG2 4.15Å; C121-V124 WeakPolarHBondContact O-CG2 3.28Å; V122-V124 PolarHBondContact O-N 2.96Å; V124-M141 HydrophobicContact CB-CE 4.34Å; V124-M141 HydrophobicContact CG1-CE 4.41Å; V124-I145 HydrophobicContact CG2-CD1 4.4Å; V124-L242 HydrophobicContact CB-CD1 3.74Å; V124-L242 HydrophobicContact CG1-CD1 3.34Å; V124-L242 HydrophobicContact CG1-CD2 3.47Å; V124-L242 VanDerWaalsContact CG1-CD2 3.47Å; V124-L242 HydrophobicContact CG1-CG 4.04Å; V124-L242 HydrophobicContact CG2-CD1 4.27Å; V124-L242 WeakPolarHBondContact O-CD1 3.46Å
125	E	71.2	Confident	87.1	Confident	51 Å²	51	28.2 Å²	28.2	24%	0.238	15%	0.147	C	C	.	.	S	Bend	trans	-94.3	-36.3	-176.7	-41.7	-164.4	141.6	0	0	111.6	M141 K142 S143 F246	E125-M141 HydrophobicContact CB-CB 4.36Å; E125-M141 HydrophobicContact CG-CB 4.13Å; E125-M141 HydrophobicContact CG-CE 4.33Å; E125-M141 WeakPolarHBondContact OE2-CA 3.41Å; E125-M141 WeakPolarHBondContact OE2-CB 2.96Å; E125-K142 PolarHBondContact OE2-N 3.4Å; E125-S143 WeakPolarHBondContact OE1-CB 3.38Å; E125-S143 PolarHBondContact OE1-N 2.93Å; E125-S143 PolarHBondContact OE1-OG 2.93Å; E125-S143 PolarHBondContact OE2-N 3.41Å; E125-F246 HydrophobicContact CB-CZ 4.08Å; E125-F246 HydrophobicContact CG-CE1 4.3Å; E125-F246 HydrophobicContact CG-CE2 4.26Å; E125-F246 HydrophobicContact CG-CZ 3.52Å; E125-F246 WeakPolarHBondContact OE1-CE1 3.46Å; E125-F246 WeakPolarHBondContact OE1-CZ 3.41Å
126	N	71.3	Confident	86.8	Confident	41 Å²	41	31 Å²	31	22%	0.219	16%	0.161	C	C	.	.			trans	-111.4	108.9	-171.6	-170.4	-9.5	0	0	0	109.9	H128 I129 H140	N126-H128 PolarHBondContact O-N 2.98Å; N126-H128 WeakPolarHBondContact OD1-CA 3.43Å; N126-H128 PolarHBondContact OD1-N 3.24Å; N126-I129 HydrophobicContact CB-CG1 4.18Å; N126-H140 VanDerWaalsContact CB-O 3.25Å; N126-H140 WeakPolarHBondContact CB-O 3.12Å; N126-H140 PolarHBondContact ND2-O 2.96Å
127	K	73	Confident	86.5	Confident	94 Å²	94	31.3 Å²	31.3	41%	0.409	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.8	176.9	-65.5	173	175.2	175.5	0	113.3	H239	K127-H239 WeakPolarHBondContact CE-CE1 3.48Å; K127-H239 WeakPolarHBondContact CE-NE2 3.27Å
128	H	80.8	Confident	86.2	Confident	159 Å²	159	35.5 Å²	35.5	74%	0.736	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	34	-172.3	-55.2	96	0	0	0	112.6	N126 P130	N126-H128 PolarHBondContact O-N 2.98Å; N126-H128 WeakPolarHBondContact OD1-CA 3.43Å; N126-H128 PolarHBondContact OD1-N 3.24Å; H128-P130 WeakPolarHBondContact O-CD 3.15Å
129	I	85.7	Confident	85.9	Confident	10 Å²	10	38 Å²	38	5%	0.051	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62.6	126.4	170.2	-66.1	178.9	0	0	0	108.8	V122 L123 N126 V135 L137 H140 L171	V122-I129 HydrophobicContact CG1-CD1 3.8Å; V122-I129 VanDerWaalsContact O-CD1 3.28Å; V122-I129 WeakPolarHBondContact O-CD1 3.37Å; L123-I129 HydrophobicContact CD2-CB 3.78Å; L123-I129 HydrophobicContact CD2-CD1 4.15Å; L123-I129 HydrophobicContact CD2-CG1 4.1Å; N126-I129 HydrophobicContact CB-CG1 4.18Å; I129-V135 HydrophobicContact CG2-CB 4.3Å; I129-V135 HydrophobicContact CG2-CG1 4.2Å; I129-V135 HydrophobicContact CG2-CG2 4.17Å; I129-L137 HydrophobicContact CD1-CD2 4.47Å; I129-H140 HydrophobicContact CG1-CB 4.45Å; I129-L171 HydrophobicContact CG2-CD1 3.97Å; I129-L171 HydrophobicContact CG2-CD2 4.42Å
130	P	90.5	Very high	85.6	Confident	33 Å²	33	40.6 Å²	40.6	21%	0.214	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-60.1	140.7	179.2	-24.7	33.4	0	0	0	113.2	H128 K133 V135	H128-P130 WeakPolarHBondContact O-CD 3.15Å; P130-K133 HydrophobicContact CB-CG 4.39Å; P130-V135 HydrophobicContact CB-CG2 4.08Å; P130-V135 HydrophobicContact CG-CG2 4.23Å
131	V	91.1	Very high	85.5	Confident	61 Å²	61	40.5 Å²	40.5	37%	0.37	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-92.8	158.3	176	-62.5	0	0	0	0	112.1	K133 L171 P173 Y175	V131-K133 VanDerWaalsContact C-N 3.26Å; V131-K133 PolarHBondContact O-N 3.21Å; V131-L171 HydrophobicContact CB-CB 4.49Å; V131-L171 HydrophobicContact CG1-CB 4.08Å; V131-L171 HydrophobicContact CG1-CD2 4.43Å; V131-P173 WeakPolarHBondContact CG2-O 3.02Å; V131-Y175 HydrophobicContact CG1-CD1 4.28Å
132	G	89.5	Confident	85.2	Confident	26 Å²	26	49 Å²	49	27%	0.268	26%	0.259	S	S	.	.	S	Bend	trans	75.8	3.3	169.4	0	0	0	0	0	116.2	L171	G132-L171 PolarHBondContact N-O 3.49Å
133	K	88.1	Confident	85.1	Confident	64 Å²	64	49.1 Å²	49.1	28%	0.278	26%	0.26	S	S	.	.	S	Bend	trans	-142.6	156.9	176.7	62.5	-177.8	177.4	-174.6	0	111.4	Y8 S31 P130 V131 V135	Y8-K133 HydrophobicContact CE1-CB 3.82Å; S31-K133 PolarHBondContact OG-NZ 2.9Å; P130-K133 HydrophobicContact CB-CG 4.39Å; V131-K133 VanDerWaalsContact C-N 3.26Å; V131-K133 PolarHBondContact O-N 3.21Å; K133-V135 HydrophobicContact CG-CG2 4.47Å; K133-V135 PolarHBondContact O-N 3.5Å
134	P	90.8	Very high	85.4	Confident	14 Å²	14	50.6 Å²	50.6	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	131.3	168.4	-21.5	34.4	0	0	0	111.7	Y8 V168 I170 T372 I374	Y8-P134 HydrophobicContact CD1-CG 4.33Å; Y8-P134 HydrophobicContact CD2-CG 3.59Å; Y8-P134 VanDerWaalsContact CE1-CD 3.43Å; Y8-P134 HydrophobicContact CE1-CG 4.35Å; Y8-P134 HydrophobicContact CE2-CG 3.61Å; Y8-P134 HydrophobicContact CG-CG 3.96Å; P134-V168 HydrophobicContact CB-CG1 3.76Å; P134-I170 HydrophobicContact CB-CG1 4.1Å; P134-I170 HydrophobicContact CG-CD1 4.11Å; P134-I170 HydrophobicContact CG-CG1 4.06Å; P134-T372 HydrophobicContact CG-CG2 4.11Å; P134-I374 HydrophobicContact CB-CD1 3.79Å; P134-I374 HydrophobicContact CB-CG1 4.27Å; P134-I374 HydrophobicContact CG-CD1 4.1Å; P134-I374 HydrophobicContact CG-CG1 4.25Å
135	V	90.7	Very high	86.4	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124	177	178.7	0	0	0	0	108.7	I129 P130 K133 L137 H140 V168 A169	I129-V135 HydrophobicContact CG2-CB 4.3Å; I129-V135 HydrophobicContact CG2-CG1 4.2Å; I129-V135 HydrophobicContact CG2-CG2 4.17Å; P130-V135 HydrophobicContact CB-CG2 4.08Å; P130-V135 HydrophobicContact CG-CG2 4.23Å; K133-V135 HydrophobicContact CG-CG2 4.47Å; K133-V135 PolarHBondContact O-N 3.5Å; V135-L137 PolarHBondContact O-N 3.3Å; V135-H140 HydrophobicContact CG1-CB 4.36Å; V135-H140 WeakPolarHBondContact CG1-CD2 3.49Å; V135-H140 WeakPolarHBondContact CG1-NE2 3.47Å; V135-V168 VanDerWaalsContact O-CA 3.27Å; V135-V168 WeakPolarHBondContact O-CA 3.38Å; V135-A169 PolarHBondContact N-O 3.22Å; V135-A169 PolarHBondContact O-N 2.74Å
136	M	91.8	Very high	87.6	Confident	58 Å²	58	50.7 Å²	50.7	29%	0.286	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	115.1	169.3	-70.3	-64.9	-69.4	0	0	108.9	Y33 A138 D139 V168	Y33-M136 HydrophobicContact CE1-CG 4.4Å; Y33-M136 HydrophobicContact CE2-CB 4.41Å; Y33-M136 HydrophobicContact CE2-CG 3.95Å; Y33-M136 WeakPolarHBondContact OH-CG 3.45Å; M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 3.38Å; M136-D139 HydrophobicContact CB-CB 4.47Å; M136-D139 PolarHBondContact O-N 2.84Å; M136-V168 HydrophobicContact SD-CG2 3.54Å; M136-V168 VanDerWaalsContact SD-CG2 3.54Å
137	L	91.8	Very high	88.8	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-38.3	-175	-70.3	178.6	0	0	0	111.8	V122 I129 V135 D139 H140 M141 I145 V166 T167 A169	V122-L137 HydrophobicContact CG1-CD2 3.88Å; I129-L137 HydrophobicContact CD1-CD2 4.47Å; V135-L137 PolarHBondContact O-N 3.3Å; L137-D139 PolarHBondContact O-N 2.76Å; L137-H140 PolarHBondContact O-N 3.36Å; L137-M141 HydrophobicContact CB-CG 4.17Å; L137-M141 HydrophobicContact CB-SD 4.01Å; L137-M141 HydrophobicContact CD1-SD 4.39Å; L137-M141 HydrophobicContact CD2-SD 3.92Å; L137-M141 HydrophobicContact CG-SD 4.34Å; L137-M141 WeakPolarHBondContact O-CG 3.27Å; L137-M141 PolarHBondContact O-N 3.38Å; L137-I145 HydrophobicContact CD1-CB 4.42Å; L137-I145 HydrophobicContact CD1-CD1 3.96Å; L137-I145 HydrophobicContact CD1-CG1 4.38Å; L137-V166 HydrophobicContact CD1-CB 4.11Å; L137-V166 HydrophobicContact CD1-CG1 3.62Å; L137-T167 PolarHBondContact N-O 2.8Å; L137-A169 HydrophobicContact CD2-CB 3.77Å; L137-A169 HydrophobicContact CG-CB 4.29Å
138	A	89.7	Confident	89.8	Confident	88 Å²	88	44.8 Å²	44.8	73%	0.727	24%	0.24	S	C	*	.	H	α-helix	trans	-58.9	-22.1	178.1	0	0	0	0	0	114.4	M136	M136-A138 VanDerWaalsContact C-N 3.26Å; M136-A138 PolarHBondContact O-N 3.38Å
139	D	89.2	Confident	90.5	Very high	54 Å²	54	37.2 Å²	37.2	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-83.6	-15.8	175.8	-76.7	-50	0	0	0	113	K32 M136 L137	K32-D139 HydrophobicContact CD-CB 4.47Å; K32-D139 IonicContact NZ-OD1 3.33Å; K32-D139 PolarHBondContact NZ-OD1 3.36Å; M136-D139 HydrophobicContact CB-CB 4.47Å; M136-D139 PolarHBondContact O-N 2.84Å; L137-D139 PolarHBondContact O-N 2.76Å
140	H	87.9	Confident	90.9	Very high	53 Å²	53	37 Å²	37	25%	0.245	21%	0.205	C	C	.	.	H	α-helix	trans	-120.8	-14.8	-170.5	-73	-95.1	0	0	0	114.5	N126 I129 V135 L137	N126-H140 VanDerWaalsContact CB-O 3.25Å; N126-H140 WeakPolarHBondContact CB-O 3.12Å; N126-H140 PolarHBondContact ND2-O 2.96Å; I129-H140 HydrophobicContact CG1-CB 4.45Å; V135-H140 HydrophobicContact CG1-CB 4.36Å; V135-H140 WeakPolarHBondContact CG1-CD2 3.49Å; V135-H140 WeakPolarHBondContact CG1-NE2 3.47Å; L137-H140 PolarHBondContact O-N 3.36Å
141	M	85.6	Confident	91	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.064	20%	0.196	C	C	.	.			trans	-142.9	149.1	178	55.4	-172	-60.8	0	0	111.2	V94 V124 E125 L137 S143 I145	V94-M141 HydrophobicContact CG2-CE 4.16Å; V124-M141 HydrophobicContact CB-CE 4.34Å; V124-M141 HydrophobicContact CG1-CE 4.41Å; E125-M141 HydrophobicContact CB-CB 4.36Å; E125-M141 HydrophobicContact CG-CB 4.13Å; E125-M141 HydrophobicContact CG-CE 4.33Å; E125-M141 WeakPolarHBondContact OE2-CA 3.41Å; E125-M141 WeakPolarHBondContact OE2-CB 2.96Å; L137-M141 HydrophobicContact CB-CG 4.17Å; L137-M141 HydrophobicContact CB-SD 4.01Å; L137-M141 HydrophobicContact CD1-SD 4.39Å; L137-M141 HydrophobicContact CD2-SD 3.92Å; L137-M141 HydrophobicContact CG-SD 4.34Å; L137-M141 WeakPolarHBondContact O-CG 3.27Å; L137-M141 PolarHBondContact O-N 3.38Å; M141-S143 WeakPolarHBondContact CE-O 2.79Å; M141-I145 HydrophobicContact CE-CD1 3.96Å; M141-I145 HydrophobicContact CE-CG1 3.64Å; M141-I145 HydrophobicContact SD-CD1 3.99Å; M141-I145 HydrophobicContact SD-CG1 4.11Å
142	K	85.7	Confident	91	Very high	181 Å²	181	33.3 Å²	33.3	79%	0.787	18%	0.181	S	C	*	.	S	Bend	trans	-81.8	-30.6	173.2	-65.8	-179.5	-179.6	176.7	0	111.4	E125	E125-K142 PolarHBondContact OE2-N 3.4Å
143	S	86	Confident	91	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.035	17%	0.171	C	C	.	.	S	Bend	trans	-70	156.2	174.3	-78.1	0	0	0	0	113	K95 L96 E125 M141	K95-S143 WeakPolarHBondContact O-CA 3.05Å; L96-S143 WeakPolarHBondContact CA-OG 3.27Å; L96-S143 VanDerWaalsContact CD1-OG 3.23Å; L96-S143 WeakPolarHBondContact CD1-OG 3.41Å; L96-S143 WeakPolarHBondContact CG-OG 3.23Å; E125-S143 WeakPolarHBondContact OE1-CB 3.38Å; E125-S143 PolarHBondContact OE1-N 2.93Å; E125-S143 PolarHBondContact OE1-OG 2.93Å; E125-S143 PolarHBondContact OE2-N 3.41Å; M141-S143 WeakPolarHBondContact CE-O 2.79Å
144	T	91.5	Very high	90.9	Very high	42 Å²	42	31.3 Å²	31.3	26%	0.258	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.1	168.7	-57.7	0	0	0	0	109.7	V94 K95 Y146 R165	V94-T144 WeakPolarHBondContact CA-O 3.41Å; K95-T144 PolarHBondContact N-O 3.14Å; K95-T144 PolarHBondContact O-N 2.75Å; T144-Y146 HydrophobicContact CG2-CD2 4.04Å; T144-Y146 HydrophobicContact CG2-CE1 4.39Å; T144-Y146 HydrophobicContact CG2-CE2 3.5Å; T144-R165 HydrophobicContact CG2-CG 3.58Å
145	I	93.3	Very high	90.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.6	170	-58.7	-179	0	0	0	108.6	S93 V94 F104 V124 L137 M141 V166	S93-I145 CarbonylContact O-C 3.56Å; S93-I145 WeakPolarHBondContact O-CA 3.41Å; V94-I145 HydrophobicContact CG2-CG1 4.42Å; F104-I145 HydrophobicContact CE1-CG2 4.24Å; F104-I145 HydrophobicContact CZ-CD1 4.34Å; F104-I145 HydrophobicContact CZ-CG2 4.24Å; V124-I145 HydrophobicContact CG2-CD1 4.4Å; L137-I145 HydrophobicContact CD1-CB 4.42Å; L137-I145 HydrophobicContact CD1-CD1 3.96Å; L137-I145 HydrophobicContact CD1-CG1 4.38Å; M141-I145 HydrophobicContact CE-CD1 3.96Å; M141-I145 HydrophobicContact CE-CG1 3.64Å; M141-I145 HydrophobicContact SD-CD1 3.99Å; M141-I145 HydrophobicContact SD-CG1 4.11Å; I145-V166 HydrophobicContact CB-CB 4.09Å; I145-V166 HydrophobicContact CB-CG2 4.33Å; I145-V166 HydrophobicContact CG2-CB 4.08Å; I145-V166 HydrophobicContact CG2-CG2 3.79Å; I145-V166 PolarHBondContact O-N 2.92Å
146	Y	94.8	Very high	90.4	Very high	56 Å²	56	42.4 Å²	42.4	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.9	174.1	-69.3	-91	0	0	0	110.1	L92 S93 K95 T144 H164	L92-Y146 WeakPolarHBondContact CA-O 2.89Å; S93-Y146 PolarHBondContact N-O 2.9Å; S93-Y146 PolarHBondContact O-N 2.81Å; K95-Y146 HydrophobicContact CB-CD2 4.15Å; K95-Y146 HydrophobicContact CB-CE2 3.83Å; K95-Y146 HydrophobicContact CD-CE2 3.99Å; T144-Y146 HydrophobicContact CG2-CD2 4.04Å; T144-Y146 HydrophobicContact CG2-CE1 4.39Å; T144-Y146 HydrophobicContact CG2-CE2 3.5Å; Y146-H164 CarbonylContact C-O 3.22Å; Y146-H164 WeakPolarHBondContact CA-O 3.34Å
147	A	96.5	Very high	90.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.3	169.5	0	0	0	0	0	108.5	V90 L92 I115 D163 H164 V166 L191	V90-A147 HydrophobicContact CG1-CB 3.74Å; L92-A147 HydrophobicContact CD2-CB 4.07Å; I115-A147 HydrophobicContact CD1-CB 3.46Å; I115-A147 VanDerWaalsContact CD1-CB 3.46Å; A147-D163 WeakPolarHBondContact O-CA 3.32Å; A147-H164 PolarHBondContact N-O 2.91Å; A147-H164 PolarHBondContact O-N 3.26Å; A147-V166 HydrophobicContact CB-CG2 4.21Å; A147-L191 HydrophobicContact CB-CD2 3.67Å
148	H	95.4	Very high	90.1	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.046	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.1	175.6	-49	-81.8	0	0	0	108.1	R91 S93 D151 D163	R91-H148 HydrophobicContact CB-CB 4.18Å; R91-H148 PolarHBondContact N-O 3.47Å; R91-H148 VanDerWaalsContact N-O 3.14Å; R91-H148 PolarHBondContact NH1-CD2 2.9Å; R91-H148 PolarHBondContact NH1-NE2 3.32Å; R91-H148 PolarHBondContact NH2-CD2 3.06Å; R91-H148 VanDerWaalsContact NH2-CD2 3.29Å; R91-H148 PolarHBondContact O-CD2 3.03Å; R91-H148 VanDerWaalsContact O-CD2 3.26Å; R91-H148 PolarHBondContact O-N 3.09Å; S93-H148 VanDerWaalsContact CB-NE2 3.31Å; S93-H148 WeakPolarHBondContact CB-NE2 3.3Å; S93-H148 PolarHBondContact OG-NE2 3.27Å; H148-D151 HydrophobicContact CB-CB 4.14Å; H148-D163 IonicContact CE1-OD1 3.32Å; H148-D163 IonicContact CE1-OD2 3.84Å; H148-D163 PolarHBondContact CE1-OD2 3.46Å; H148-D163 IonicContact CG-OD1 2.73Å; H148-D163 IonicContact ND1-OD1 2.9Å; H148-D163 PolarHBondContact ND1-OD1 3.46Å; H148-D163 IonicContact ND1-OD2 3.96Å; H148-D163 PolarHBondContact ND1-OD2 2.87Å; H148-D163 VanDerWaalsContact ND1-OD2 3.13Å
149	L	95.5	Very high	90.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148.3	-179.5	-56.9	118.8	0	0	0	109.4	V90 L109 D151 Q161 I162 H164 L191 V195 I201	V90-L149 HydrophobicContact CG2-CD2 4.1Å; V90-L149 HydrophobicContact CG2-CG 4.48Å; L109-L149 HydrophobicContact CB-CD2 4.35Å; L109-L149 HydrophobicContact CD1-CD2 3.65Å; L109-L149 HydrophobicContact CD2-CD2 3.55Å; L109-L149 HydrophobicContact CG-CD2 4.02Å; L149-D151 PolarHBondContact O-N 3.01Å; L149-Q161 CarbonylContact O-C 3.52Å; L149-Q161 VanDerWaalsContact O-CA 3.25Å; L149-Q161 WeakPolarHBondContact O-CA 3.2Å; L149-I162 WeakPolarHBondContact CD1-O 3.43Å; L149-I162 PolarHBondContact N-O 2.92Å; L149-I162 PolarHBondContact O-N 3.05Å; L149-H164 HydrophobicContact CD1-CB 4.31Å; L149-H164 VanDerWaalsContact CD1-CD2 3.44Å; L149-H164 WeakPolarHBondContact CD1-CD2 3.23Å; L149-L191 HydrophobicContact CD1-CD1 4.39Å; L149-V195 HydrophobicContact CD1-CG2 3.99Å; L149-V195 HydrophobicContact CD2-CG1 4.46Å; L149-V195 HydrophobicContact CD2-CG2 4.24Å; L149-I201 HydrophobicContact CB-CD1 3.85Å; L149-I201 HydrophobicContact CB-CG1 4.13Å; L149-I201 HydrophobicContact CB-CG2 4.13Å; L149-I201 HydrophobicContact CD2-CG2 4.1Å
150	G	93.5	Very high	90.2	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	24%	0.237	C	C	.	.	S	Bend	trans	65.4	18.9	-179	0	0	0	0	0	113.2	H84	H84-G150 PolarHBondContact CE1-O 3.27Å; H84-G150 PolarHBondContact ND1-O 3.45Å
151	D	92.5	Very high	90.5	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.032	23%	0.228	C	C	.	.			trans	-83.9	143.2	-177.9	-165.9	-3.9	0	0	0	110.5	R91 H148 L149 Q161 W224	R91-D151 IonicContact CZ-OD2 3.04Å; R91-D151 IonicContact NE-OD2 3.97Å; R91-D151 PolarHBondContact NE-OD2 3.02Å; R91-D151 IonicContact NH2-OD2 2.91Å; R91-D151 PolarHBondContact NH2-OD2 3.49Å; H148-D151 HydrophobicContact CB-CB 4.14Å; L149-D151 PolarHBondContact O-N 3.01Å; D151-Q161 HydrophobicContact CB-CG 4.15Å; D151-W224 HydrophobicContact CB-CZ2 4.04Å; D151-W224 WeakPolarHBondContact O-CZ2 3.46Å
152	H	91.5	Very high	90.9	Very high	11 Å²	11	47.9 Å²	47.9	5%	0.051	24%	0.241	C	C	.	.	S	Bend	trans	-130.8	-55.7	174	178.1	66	0	0	0	111.1	V81 P83 E158 W224 E280 L281	V81-H152 PolarHBondContact O-CE1 2.88Å; P83-H152 HydrophobicContact CB-CB 4.45Å; H152-E158 WeakPolarHBondContact CA-OE2 3.25Å; H152-E158 WeakPolarHBondContact CB-OE2 3.44Å; H152-E158 PolarHBondContact N-OE2 2.04Å; H152-W224 PolarHBondContact O-NE1 2.83Å; H152-E280 CarbonylContact O-C 3.59Å; H152-E280 WeakPolarHBondContact O-CA 3.07Å; H152-L281 PolarHBondContact O-N 3.09Å
153	D	90.1	Very high	91.3	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.053	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-99.3	107.6	174.9	-177.3	-14.5	0	0	0	111.2	Y155 K156 E158	D153-Y155 PolarHBondContact O-N 2.68Å; D153-Y155 PolarHBondContact OD1-N 2.88Å; D153-K156 HydrophobicContact CB-CB 4.29Å; D153-K156 HydrophobicContact CB-CD 4.38Å; D153-K156 HydrophobicContact CB-CG 4.4Å; D153-K156 PolarHBondContact O-N 2.81Å; D153-K156 VanDerWaalsContact OD2-CD 3.3Å; D153-K156 WeakPolarHBondContact OD2-CD 3.37Å; D153-K156 WeakPolarHBondContact OD2-CE 3.31Å; D153-K156 WeakPolarHBondContact OD2-CG 3.25Å; D153-K156 IonicContact OD2-NZ 2.72Å; D153-K156 PolarHBondContact OD2-NZ 2.94Å; D153-E158 PolarHBondContact N-OE2 3.01Å
154	R	84.9	Confident	91.8	Very high	39 Å²	39	43.3 Å²	43.3	15%	0.147	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.3	-174.7	77.5	-173.1	-162.9	172	1.6	114.9	E274 S277 S278 K279	R154-E274 PolarHBondContact NH2-O 2.89Å; R154-S277 PolarHBondContact NH1-OG 2.81Å; R154-S277 PolarHBondContact NH2-OG 3.34Å; R154-S278 WeakPolarHBondContact CD-O 3.34Å; R154-S278 PolarHBondContact NE-O 2.76Å; R154-K279 WeakPolarHBondContact CG-O 3.14Å; R154-K279 PolarHBondContact N-O 3.33Å
155	Y	83.5	Confident	92	Very high	125 Å²	125	47.7 Å²	47.7	49%	0.49	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-5.4	179.9	-66.6	-68.3	0	0	0	113.5	D153 K279	D153-Y155 PolarHBondContact O-N 2.68Å; D153-Y155 PolarHBondContact OD1-N 2.88Å; Y155-K279 HydrophobicContact CD2-CB 3.99Å; Y155-K279 HydrophobicContact CD2-CD 4.25Å; Y155-K279 HydrophobicContact CD2-CG 3.99Å; Y155-K279 HydrophobicContact CE2-CB 4.15Å; Y155-K279 HydrophobicContact CE2-CD 4.33Å; Y155-K279 HydrophobicContact CE2-CG 3.8Å
156	K	87.5	Confident	92.2	Very high	126 Å²	126	47.8 Å²	47.8	55%	0.548	24%	0.237	S	C	.	.	S	Bend	trans	-119.1	137.6	179.3	-64.2	-177.4	-172.2	125.6	0	109.5	D153 E158 Q161	D153-K156 HydrophobicContact CB-CB 4.29Å; D153-K156 HydrophobicContact CB-CD 4.38Å; D153-K156 HydrophobicContact CB-CG 4.4Å; D153-K156 PolarHBondContact O-N 2.81Å; D153-K156 VanDerWaalsContact OD2-CD 3.3Å; D153-K156 WeakPolarHBondContact OD2-CD 3.37Å; D153-K156 WeakPolarHBondContact OD2-CE 3.31Å; D153-K156 WeakPolarHBondContact OD2-CG 3.25Å; D153-K156 IonicContact OD2-NZ 2.72Å; D153-K156 PolarHBondContact OD2-NZ 2.94Å; K156-E158 HydrophobicContact CB-CG 4.31Å; K156-E158 PolarHBondContact O-N 3.39Å; K156-Q161 PolarHBondContact O-OE1 3.03Å
157	Q	86.7	Confident	92.1	Very high	129 Å²	129	47 Å²	47	60%	0.603	24%	0.237	S	C	*	.			trans	-80.2	103	165.1	-173.2	70.9	39.2	0	0	107.7	Q161	Q157-Q161 VanDerWaalsContact NE2-CD 3.29Å; Q157-Q161 PolarHBondContact NE2-O 3.01Å
158	E	90.1	Very high	92	Very high	39 Å²	39	47.1 Å²	47.1	18%	0.182	24%	0.238	C	C	.	.			trans	-82.5	153.5	-178.2	-63.6	176.8	121.3	0	0	111.3	H84 H152 D153 K156 A160 Q161	H84-E158 IonicContact CE1-OE1 2.88Å; H84-E158 IonicContact CE1-OE2 3.13Å; H152-E158 WeakPolarHBondContact CA-OE2 3.25Å; H152-E158 WeakPolarHBondContact CB-OE2 3.44Å; H152-E158 PolarHBondContact N-OE2 2.04Å; D153-E158 PolarHBondContact N-OE2 3.01Å; K156-E158 HydrophobicContact CB-CG 4.31Å; K156-E158 PolarHBondContact O-N 3.39Å; E158-A160 PolarHBondContact O-N 3.38Å; E158-Q161 HydrophobicContact CB-CB 4.18Å; E158-Q161 WeakPolarHBondContact O-CB 3.43Å; E158-Q161 PolarHBondContact O-N 2.82Å
159	A	91.6	Very high	92	Very high	117 Å²	117	46.6 Å²	46.6	97%	0.967	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.1	-178	0	0	0	0	0	112.8	Q161	A159-Q161 VanDerWaalsContact C-N 3.33Å
160	A	90.1	Very high	92	Very high	22 Å²	22	46.6 Å²	46.6	18%	0.182	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.8	175.2	0	0	0	0	0	113.2	E158 I162 E200	E158-A160 PolarHBondContact O-N 3.38Å; A160-I162 PolarHBondContact O-N 2.91Å; A160-E200 HydrophobicContact CB-CB 3.86Å; A160-E200 HydrophobicContact CB-CG 3.7Å
161	Q	93.3	Very high	92.1	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.065	23%	0.234	C	C	.	.			trans	-75.6	127.7	-172.8	-174.4	-165.1	-29.3	0	0	111.2	L149 D151 K156 Q157 E158 A159 D163	L149-Q161 CarbonylContact O-C 3.52Å; L149-Q161 VanDerWaalsContact O-CA 3.25Å; L149-Q161 WeakPolarHBondContact O-CA 3.2Å; D151-Q161 HydrophobicContact CB-CG 4.15Å; K156-Q161 PolarHBondContact O-OE1 3.03Å; Q157-Q161 VanDerWaalsContact NE2-CD 3.29Å; Q157-Q161 PolarHBondContact NE2-O 3.01Å; E158-Q161 HydrophobicContact CB-CB 4.18Å; E158-Q161 WeakPolarHBondContact O-CB 3.43Å; E158-Q161 PolarHBondContact O-N 2.82Å; A159-Q161 VanDerWaalsContact C-N 3.33Å; Q161-D163 PolarHBondContact NE2-OD1 3.19Å
162	I	94.1	Very high	92.2	Very high	66 Å²	66	46.7 Å²	46.7	34%	0.338	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.6	173.7	-52.4	-179.7	0	0	0	109.6	L149 A160 H164 I201	L149-I162 WeakPolarHBondContact CD1-O 3.43Å; L149-I162 PolarHBondContact N-O 2.92Å; L149-I162 PolarHBondContact O-N 3.05Å; A160-I162 PolarHBondContact O-N 2.91Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.23Å; I162-I201 HydrophobicContact CB-CD1 4.13Å; I162-I201 HydrophobicContact CD1-CD1 3.64Å; I162-I201 HydrophobicContact CG1-CD1 3.74Å
163	D	94.9	Very high	92.4	Very high	66 Å²	66	49 Å²	49	35%	0.353	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116	179.9	-73.2	5.6	0	0	0	110.8	A147 H148 Q161	A147-D163 WeakPolarHBondContact O-CA 3.32Å; H148-D163 IonicContact CE1-OD1 3.32Å; H148-D163 IonicContact CE1-OD2 3.84Å; H148-D163 PolarHBondContact CE1-OD2 3.46Å; H148-D163 IonicContact CG-OD1 2.73Å; H148-D163 IonicContact ND1-OD1 2.9Å; H148-D163 PolarHBondContact ND1-OD1 3.46Å; H148-D163 IonicContact ND1-OD2 3.96Å; H148-D163 PolarHBondContact ND1-OD2 2.87Å; H148-D163 VanDerWaalsContact ND1-OD2 3.13Å; Q161-D163 PolarHBondContact NE2-OD1 3.19Å
164	H	95.9	Very high	92.6	Very high	24 Å²	24	52.7 Å²	52.7	11%	0.111	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	144.8	174.1	-77.8	-100.6	0	0	0	111.6	Y146 A147 L149 I162 L191	Y146-H164 CarbonylContact C-O 3.22Å; Y146-H164 WeakPolarHBondContact CA-O 3.34Å; A147-H164 PolarHBondContact N-O 2.91Å; A147-H164 PolarHBondContact O-N 3.26Å; L149-H164 HydrophobicContact CD1-CB 4.31Å; L149-H164 VanDerWaalsContact CD1-CD2 3.44Å; L149-H164 WeakPolarHBondContact CD1-CD2 3.23Å; I162-H164 WeakPolarHBondContact CG2-NE2 3.23Å; H164-L191 HydrophobicContact CB-CB 4.25Å; H164-L191 HydrophobicContact CB-CD1 4.12Å; H164-L191 HydrophobicContact CB-CD2 3.72Å; H164-L191 HydrophobicContact CB-CG 4.25Å
165	R	96.4	Very high	93	Very high	135 Å²	135	51.6 Å²	51.6	51%	0.509	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.6	168.8	-171.7	180	-49.3	175.8	9	109.4	T144 L191 S192	T144-R165 HydrophobicContact CG2-CG 3.58Å; R165-L191 CarbonylContact O-C 3.6Å; R165-L191 WeakPolarHBondContact O-CA 3.3Å; R165-S192 PolarHBondContact O-N 2.8Å
166	V	96.4	Very high	93.1	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.024	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.9	165.5	-177.1	0	0	0	0	108.7	L137 I145 A147 L189 L191	L137-V166 HydrophobicContact CD1-CB 4.11Å; L137-V166 HydrophobicContact CD1-CG1 3.62Å; I145-V166 HydrophobicContact CB-CB 4.09Å; I145-V166 HydrophobicContact CB-CG2 4.33Å; I145-V166 HydrophobicContact CG2-CB 4.08Å; I145-V166 HydrophobicContact CG2-CG2 3.79Å; I145-V166 PolarHBondContact O-N 2.92Å; A147-V166 HydrophobicContact CB-CG2 4.21Å; V166-L189 HydrophobicContact CG1-CB 3.74Å; V166-L189 HydrophobicContact CG1-CD1 4.18Å; V166-L189 HydrophobicContact CG1-CD2 4.03Å; V166-L189 HydrophobicContact CG1-CG 4.19Å; V166-L189 HydrophobicContact CG2-CD1 4.29Å; V166-L191 HydrophobicContact CG2-CD2 4.23Å
167	T	94.5	Very high	92.6	Very high	38 Å²	38	49 Å²	49	23%	0.233	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-39	-175.4	53.8	0	0	0	0	112.2	L137 R190	L137-T167 PolarHBondContact N-O 2.8Å; T167-R190 PolarHBondContact N-O 2.84Å; T167-R190 PolarHBondContact OG1-O 3.1Å
168	V	94.3	Very high	92.1	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.8	-178.2	177	0	0	0	0	110	P134 V135 M136 I170 L189 R190 I374	P134-V168 HydrophobicContact CB-CG1 3.76Å; V135-V168 VanDerWaalsContact O-CA 3.27Å; V135-V168 WeakPolarHBondContact O-CA 3.38Å; M136-V168 HydrophobicContact SD-CG2 3.54Å; M136-V168 VanDerWaalsContact SD-CG2 3.54Å; V168-I170 HydrophobicContact CG1-CG1 4.23Å; V168-L189 WeakPolarHBondContact O-CA 3.42Å; V168-R190 HydrophobicContact CB-CB 3.84Å; V168-R190 PolarHBondContact O-N 2.9Å; V168-I374 HydrophobicContact CB-CD1 4.18Å; V168-I374 HydrophobicContact CG1-CD1 3.7Å; V168-I374 HydrophobicContact CG2-CD1 3.94Å
169	A	95.2	Very high	91.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.8	161.6	0	0	0	0	0	111.2	V122 V135 L137 L171 L188 L189	V122-A169 HydrophobicContact CG1-CB 3.5Å; V122-A169 VanDerWaalsContact CG1-CB 3.5Å; V122-A169 HydrophobicContact CG2-CB 4.36Å; V135-A169 PolarHBondContact N-O 3.22Å; V135-A169 PolarHBondContact O-N 2.74Å; L137-A169 HydrophobicContact CD2-CB 3.77Å; L137-A169 HydrophobicContact CG-CB 4.29Å; A169-L171 HydrophobicContact CB-CD1 4.14Å; A169-L188 CarbonylContact C-O 3.39Å; A169-L188 WeakPolarHBondContact CA-O 3.42Å; A169-L189 HydrophobicContact CB-CD2 3.59Å
170	I	95.1	Very high	90.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	103.9	171.9	-54.1	165.5	0	0	0	107	W114 P134 V168 A187 L188 W365 Q369	W114-I170 HydrophobicContact CH2-CD1 3.77Å; W114-I170 HydrophobicContact CZ3-CD1 3.77Å; P134-I170 HydrophobicContact CB-CG1 4.1Å; P134-I170 HydrophobicContact CG-CD1 4.11Å; P134-I170 HydrophobicContact CG-CG1 4.06Å; V168-I170 HydrophobicContact CG1-CG1 4.23Å; I170-A187 VanDerWaalsContact O-CA 3.28Å; I170-A187 WeakPolarHBondContact O-CA 3.35Å; I170-L188 HydrophobicContact CB-CB 4.42Å; I170-L188 PolarHBondContact N-O 2.99Å; I170-L188 PolarHBondContact O-N 3.45Å; I170-W365 HydrophobicContact CG2-CZ2 4.11Å; I170-Q369 HydrophobicContact CD1-CB 4.26Å; I170-Q369 HydrophobicContact CD1-CG 4.47Å; I170-Q369 HydrophobicContact CG2-CG 4.12Å
171	L	95.1	Very high	90.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.5	173	-77	65.3	0	0	0	109.2	A119 V122 L123 I129 V131 G132 A169 Y175 A187	A119-L171 HydrophobicContact CB-CB 4.46Å; A119-L171 HydrophobicContact CB-CD2 4.25Å; A119-L171 HydrophobicContact CB-CG 4.01Å; V122-L171 HydrophobicContact CB-CD1 3.92Å; V122-L171 HydrophobicContact CG1-CD1 3.94Å; V122-L171 HydrophobicContact CG2-CD1 4.02Å; L123-L171 HydrophobicContact CD2-CD2 3.91Å; L123-L171 HydrophobicContact CG-CD2 4.44Å; I129-L171 HydrophobicContact CG2-CD1 3.97Å; I129-L171 HydrophobicContact CG2-CD2 4.42Å; V131-L171 HydrophobicContact CB-CB 4.49Å; V131-L171 HydrophobicContact CG1-CB 4.08Å; V131-L171 HydrophobicContact CG1-CD2 4.43Å; G132-L171 PolarHBondContact N-O 3.49Å; A169-L171 HydrophobicContact CB-CD1 4.14Å; L171-Y175 HydrophobicContact CD2-CD1 3.92Å; L171-Y175 HydrophobicContact CD2-CE1 4.16Å; L171-A187 HydrophobicContact CD1-CB 4.42Å; L171-A187 HydrophobicContact CG-CB 4.31Å
172	H	96.1	Very high	90.1	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.06	26%	0.258	C	S	.	.			trans	-55	136.1	176.7	-169	-88.7	0	0	0	111.2	N174 Y175 Y184 I186 H362 W365	H172-N174 PolarHBondContact ND1-N 3.49Å; H172-N174 VanDerWaalsContact ND1-N 3.18Å; H172-N174 PolarHBondContact O-N 2.98Å; H172-N174 VanDerWaalsContact O-N 3.16Å; H172-Y175 WeakPolarHBondContact O-CB 3.28Å; H172-Y175 PolarHBondContact O-N 2.95Å; H172-Y184 AromaticContact CE1-CD1 3.16Å; H172-Y184 WeakPolarHBondContact CE1-CD1 3.04Å; H172-Y184 AromaticContact CE1-CE1 3.58Å; H172-Y184 AromaticContact ND1-CD1 3.25Å; H172-Y184 WeakPolarHBondContact ND1-CD1 3.04Å; H172-Y184 AromaticContact ND1-CG 3.7Å; H172-Y184 AromaticContact NE2-CD1 3.98Å; H172-I186 HydrophobicContact CB-CG2 3.75Å; H172-I186 WeakPolarHBondContact CB-O 3.45Å; H172-I186 PolarHBondContact N-O 3.42Å; H172-I186 VanDerWaalsContact N-O 3.11Å; H172-H362 AromaticContact CD2-CD2 3.68Å; H172-H362 AromaticContact NE2-CD2 3.7Å; H172-W365 HydrophobicContact CB-CZ2 4.4Å; H172-W365 AromaticContact CD2-CD1 3.79Å; H172-W365 AromaticContact CD2-CD2 3.58Å; H172-W365 AromaticContact CD2-CE2 3.87Å; H172-W365 AromaticContact CD2-CG 3.56Å; H172-W365 AromaticContact CD2-NE1 3.97Å; H172-W365 AromaticContact NE2-CG 3.91Å
173	P	94.6	Very high	90	Very high	59 Å²	59	50.3 Å²	50.3	38%	0.383	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.8	-176.1	20.9	-34.1	0	0	0	114.3	V131	V131-P173 WeakPolarHBondContact CG2-O 3.02Å
174	N	94.4	Very high	90	Very high	88 Å²	88	50.3 Å²	50.3	47%	0.471	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.1	178.6	-60	-13.9	0	0	0	113	H172 H176 Y184	H172-N174 PolarHBondContact ND1-N 3.49Å; H172-N174 VanDerWaalsContact ND1-N 3.18Å; H172-N174 PolarHBondContact O-N 2.98Å; H172-N174 VanDerWaalsContact O-N 3.16Å; N174-H176 PolarHBondContact O-N 3.42Å; N174-Y184 HydrophobicContact CB-CD1 3.8Å; N174-Y184 HydrophobicContact CB-CD2 3.49Å; N174-Y184 VanDerWaalsContact CB-CD2 3.49Å; N174-Y184 HydrophobicContact CB-CE1 3.98Å; N174-Y184 HydrophobicContact CB-CE2 3.72Å; N174-Y184 HydrophobicContact CB-CG 3.54Å
175	Y	92.7	Very high	89.9	Confident	15 Å²	15	49.2 Å²	49.2	6%	0.059	23%	0.233	C	C	.	.			trans	-63.9	127.5	177.7	175.2	-111.4	0	0	0	110.5	A119 H120 L123 V131 L171 H172 R177 Y184 D185	A119-Y175 HydrophobicContact CB-CD1 3.7Å; A119-Y175 HydrophobicContact CB-CD2 3.49Å; A119-Y175 VanDerWaalsContact CB-CD2 3.49Å; A119-Y175 HydrophobicContact CB-CE1 3.8Å; A119-Y175 HydrophobicContact CB-CE2 3.61Å; A119-Y175 HydrophobicContact CB-CG 3.51Å; H120-Y175 VanDerWaalsContact CA-OH 3.28Å; H120-Y175 WeakPolarHBondContact CA-OH 3.48Å; H120-Y175 VanDerWaalsContact CB-OH 3.3Å; H120-Y175 WeakPolarHBondContact CB-OH 3Å; H120-Y175 PolarHBondContact N-OH 2.95Å; L123-Y175 HydrophobicContact CD1-CE1 3.77Å; L123-Y175 HydrophobicContact CG-CE1 4.48Å; V131-Y175 HydrophobicContact CG1-CD1 4.28Å; L171-Y175 HydrophobicContact CD2-CD1 3.92Å; L171-Y175 HydrophobicContact CD2-CE1 4.16Å; H172-Y175 WeakPolarHBondContact O-CB 3.28Å; H172-Y175 PolarHBondContact O-N 2.95Å; Y175-R177 HydrophobicContact CE1-CB 4.42Å; Y175-Y184 WeakPolarHBondContact CB-O 2.99Å; Y175-Y184 WeakPolarHBondContact CD2-O 3.39Å; Y175-D185 HydrophobicContact CD2-CB 4.24Å; Y175-D185 HydrophobicContact CE2-CB 4.01Å; Y175-D185 WeakPolarHBondContact CE2-OD1 3.48Å
176	H	86	Confident	89.9	Confident	97 Å²	97	42.8 Å²	42.8	45%	0.449	21%	0.209	S	C	.	.			trans	-130.1	117.7	174.1	-158	83.2	0	0	0	110	N174 K178 L179	N174-H176 PolarHBondContact O-N 3.42Å; H176-K178 PolarHBondContact O-N 3.16Å; H176-L179 HydrophobicContact CB-CB 4.18Å; H176-L179 HydrophobicContact CB-CD1 4.28Å; H176-L179 HydrophobicContact CB-CG 4.46Å; H176-L179 CarbonylContact O-C 3.59Å; H176-L179 PolarHBondContact O-N 2.7Å
177	R	77.3	Confident	90	Very high	99 Å²	99	42.6 Å²	42.6	37%	0.374	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.6	-173.5	-169.4	-179.7	79.1	120.4	5.7	114	L123 Y175 H239	L123-R177 HydrophobicContact CD1-CB 4.2Å; L123-R177 HydrophobicContact CD1-CG 3.9Å; Y175-R177 HydrophobicContact CE1-CB 4.42Å; R177-H239 PolarHBondContact NH1-NE2 3.17Å
178	K	76.9	Confident	90.1	Very high	170 Å²	170	40.8 Å²	40.8	74%	0.739	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.4	-179	-62.8	-175.4	178.7	-178.7	0	113.9	H176	H176-K178 PolarHBondContact O-N 3.16Å
179	L	79.7	Confident	90.3	Very high	76 Å²	76	40.8 Å²	40.8	40%	0.398	20%	0.196	S	C	.	.			trans	-130.4	57	-173.2	-55.2	170.4	0	0	0	109.7	H176 T181 D182	H176-L179 HydrophobicContact CB-CB 4.18Å; H176-L179 HydrophobicContact CB-CD1 4.28Å; H176-L179 HydrophobicContact CB-CG 4.46Å; H176-L179 CarbonylContact O-C 3.59Å; H176-L179 PolarHBondContact O-N 2.7Å; L179-T181 PolarHBondContact O-N 3.32Å; L179-D182 HydrophobicContact CB-CB 4.39Å; L179-D182 VanDerWaalsContact CB-OD2 3.23Å; L179-D182 WeakPolarHBondContact CB-OD2 3.41Å; L179-D182 WeakPolarHBondContact CD1-OD2 3.21Å; L179-D182 VanDerWaalsContact O-CB 3.32Å; L179-D182 WeakPolarHBondContact O-CB 3.16Å; L179-D182 PolarHBondContact O-N 3.48Å
180	Q	73.3	Confident	90.3	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.262	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.4	-30.3	176.6	-72.6	174.3	-16.7	0	0	111.9	D182 G183 F343	Q180-D182 PolarHBondContact O-N 2.86Å; Q180-D182 VanDerWaalsContact O-N 3.15Å; Q180-G183 PolarHBondContact O-N 2.81Å; Q180-G183 VanDerWaalsContact O-N 3.12Å; Q180-F343 HydrophobicContact CB-CD1 3.89Å; Q180-F343 HydrophobicContact CB-CE1 4.4Å; Q180-F343 HydrophobicContact CB-CG 4.41Å; Q180-F343 WeakPolarHBondContact O-CE1 3.4Å
181	T	81.9	Confident	90.3	Very high	47 Å²	47	43.4 Å²	43.4	29%	0.288	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-64.9	-8.3	174.2	52.1	0	0	0	0	114.4	L179 G183 H306 F343	L179-T181 PolarHBondContact O-N 3.32Å; T181-G183 PolarHBondContact O-N 3.42Å; T181-H306 PolarHBondContact O-CE1 2.94Å; T181-H306 PolarHBondContact O-NE2 2.97Å; T181-F343 HydrophobicContact CG2-CE2 4.09Å; T181-F343 HydrophobicContact CG2-CZ 3.87Å
182	D	87.4	Confident	90.3	Very high	66 Å²	66	45.3 Å²	45.3	35%	0.353	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-75	-12	172.2	-68.9	-8.2	0	0	0	112.1	L179 Q180 Y184	L179-D182 HydrophobicContact CB-CB 4.39Å; L179-D182 VanDerWaalsContact CB-OD2 3.23Å; L179-D182 WeakPolarHBondContact CB-OD2 3.41Å; L179-D182 WeakPolarHBondContact CD1-OD2 3.21Å; L179-D182 VanDerWaalsContact O-CB 3.32Å; L179-D182 WeakPolarHBondContact O-CB 3.16Å; L179-D182 PolarHBondContact O-N 3.48Å; Q180-D182 PolarHBondContact O-N 2.86Å; Q180-D182 VanDerWaalsContact O-N 3.15Å; D182-Y184 HydrophobicContact CB-CD2 3.81Å; D182-Y184 HydrophobicContact CB-CE2 4.2Å; D182-Y184 VanDerWaalsContact O-CD2 3.28Å; D182-Y184 WeakPolarHBondContact O-CD2 3.48Å; D182-Y184 VanDerWaalsContact O-CE2 3.32Å; D182-Y184 WeakPolarHBondContact O-CE2 3.3Å
183	G	90.9	Very high	90.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	76.8	19.7	173.4	0	0	0	0	0	115.1	Q180 T181 H306 T357 H362	Q180-G183 PolarHBondContact O-N 2.81Å; Q180-G183 VanDerWaalsContact O-N 3.12Å; T181-G183 PolarHBondContact O-N 3.42Å; G183-H306 WeakPolarHBondContact CA-NE2 3.41Å; G183-H306 PolarHBondContact N-NE2 3Å; G183-T357 VanDerWaalsContact O-CG2 3.27Å; G183-T357 WeakPolarHBondContact O-CG2 3.27Å; G183-H362 PolarHBondContact O-CE1 3.32Å; G183-H362 PolarHBondContact O-NE2 3.07Å
184	Y	95.2	Very high	90.1	Very high	67 Å²	67	51.2 Å²	51.2	26%	0.263	25%	0.249	S	C	.	.			trans	-106.5	22	177.9	-60.8	-69.5	0	0	0	113	H172 N174 Y175 D182 I186 V305 H362	H172-Y184 AromaticContact CE1-CD1 3.16Å; H172-Y184 WeakPolarHBondContact CE1-CD1 3.04Å; H172-Y184 AromaticContact CE1-CE1 3.58Å; H172-Y184 AromaticContact ND1-CD1 3.25Å; H172-Y184 WeakPolarHBondContact ND1-CD1 3.04Å; H172-Y184 AromaticContact ND1-CG 3.7Å; H172-Y184 AromaticContact NE2-CD1 3.98Å; N174-Y184 HydrophobicContact CB-CD1 3.8Å; N174-Y184 HydrophobicContact CB-CD2 3.49Å; N174-Y184 VanDerWaalsContact CB-CD2 3.49Å; N174-Y184 HydrophobicContact CB-CE1 3.98Å; N174-Y184 HydrophobicContact CB-CE2 3.72Å; N174-Y184 HydrophobicContact CB-CG 3.54Å; Y175-Y184 WeakPolarHBondContact CB-O 2.99Å; Y175-Y184 WeakPolarHBondContact CD2-O 3.39Å; D182-Y184 HydrophobicContact CB-CD2 3.81Å; D182-Y184 HydrophobicContact CB-CE2 4.2Å; D182-Y184 VanDerWaalsContact O-CD2 3.28Å; D182-Y184 WeakPolarHBondContact O-CD2 3.48Å; D182-Y184 VanDerWaalsContact O-CE2 3.32Å; D182-Y184 WeakPolarHBondContact O-CE2 3.3Å; Y184-I186 PolarHBondContact O-N 2.9Å; Y184-V305 HydrophobicContact CE1-CG1 4.43Å; Y184-H362 AromaticContact CD1-NE2 3.38Å; Y184-H362 WeakPolarHBondContact CD1-NE2 3.28Å; Y184-H362 AromaticContact CE1-NE2 3.91Å
185	D	94.7	Very high	90.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.229	C	C	.	.			trans	-81	67.2	-179.6	-177.2	32.4	0	0	0	111.3	A118 A119 H120 Y175 S342 T357	A118-D185 WeakPolarHBondContact CA-O 3.4Å; A119-D185 PolarHBondContact N-OD1 2.79Å; H120-D185 IonicContact CE1-OD2 2.73Å; H120-D185 PolarHBondContact CE1-OD2 3.28Å; H120-D185 IonicContact CG-OD1 3.99Å; H120-D185 IonicContact CG-OD2 3.91Å; H120-D185 PolarHBondContact N-OD1 3.25Å; H120-D185 VanDerWaalsContact ND1-CG 3.31Å; H120-D185 IonicContact ND1-OD1 3.73Å; H120-D185 PolarHBondContact ND1-OD1 2.03Å; H120-D185 VanDerWaalsContact ND1-OD1 3.16Å; H120-D185 IonicContact ND1-OD2 3.6Å; H120-D185 PolarHBondContact ND1-OD2 2.92Å; Y175-D185 HydrophobicContact CD2-CB 4.24Å; Y175-D185 HydrophobicContact CE2-CB 4.01Å; Y175-D185 WeakPolarHBondContact CE2-OD1 3.48Å; D185-S342 VanDerWaalsContact CB-OG 3.28Å; D185-S342 WeakPolarHBondContact CB-OG 3.27Å; D185-S342 WeakPolarHBondContact OD2-CB 3.44Å; D185-S342 PolarHBondContact OD2-OG 3.33Å; D185-T357 PolarHBondContact O-OG1 3.24Å
186	I	96.9	Very high	90.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.264	C	S	.	.			trans	-142.3	139.4	-176.3	-164.4	171.2	0	0	0	110.7	L116 H172 Y184 V340 T357 H362 W365 I366	L116-I186 HydrophobicContact CD1-CD1 3.85Å; L116-I186 HydrophobicContact CD1-CG1 3.81Å; L116-I186 HydrophobicContact CD2-CD1 4.35Å; L116-I186 HydrophobicContact CG-CD1 4.36Å; L116-I186 HydrophobicContact CG-CG1 4.35Å; H172-I186 HydrophobicContact CB-CG2 3.75Å; H172-I186 WeakPolarHBondContact CB-O 3.45Å; H172-I186 PolarHBondContact N-O 3.42Å; H172-I186 VanDerWaalsContact N-O 3.11Å; Y184-I186 PolarHBondContact O-N 2.9Å; I186-V340 HydrophobicContact CD1-CG2 4.33Å; I186-V340 HydrophobicContact CG1-CG2 4.35Å; I186-T357 HydrophobicContact CB-CG2 3.93Å; I186-T357 HydrophobicContact CD1-CG2 4.38Å; I186-T357 HydrophobicContact CG2-CG2 4.33Å; I186-H362 HydrophobicContact CD1-CB 4.04Å; I186-W365 HydrophobicContact CD1-CZ3 4.18Å; I186-W365 HydrophobicContact CG1-CZ3 4Å; I186-W365 HydrophobicContact CG2-CE3 4.3Å; I186-W365 HydrophobicContact CG2-CH2 4.32Å; I186-W365 HydrophobicContact CG2-CZ3 3.9Å; I186-I366 HydrophobicContact CD1-CD1 4.31Å
187	A	97.4	Very high	90.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.7	178.4	0	0	0	0	0	111.7	T117 A119 V122 I170 L171	T117-A187 HydrophobicContact CG2-CB 4.4Å; T117-A187 PolarHBondContact N-O 3.19Å; T117-A187 PolarHBondContact O-N 2.88Å; A119-A187 HydrophobicContact CB-CB 4.26Å; V122-A187 HydrophobicContact CG2-CB 3.92Å; I170-A187 VanDerWaalsContact O-CA 3.28Å; I170-A187 WeakPolarHBondContact O-CA 3.35Å; L171-A187 HydrophobicContact CD1-CB 4.42Å; L171-A187 HydrophobicContact CG-CB 4.31Å
188	L	97.6	Very high	91.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.4	169.6	-75.3	167.5	0	0	0	109.4	I110 W114 I115 L116 A169 I170 W365 Q369	I110-L188 HydrophobicContact CD1-CD2 3.56Å; W114-L188 HydrophobicContact CE3-CB 4.09Å; W114-L188 HydrophobicContact CZ3-CB 4.18Å; I115-L188 WeakPolarHBondContact O-CA 3.49Å; L116-L188 HydrophobicContact CD1-CD2 3.65Å; L116-L188 HydrophobicContact CD1-CG 4.19Å; A169-L188 CarbonylContact C-O 3.39Å; A169-L188 WeakPolarHBondContact CA-O 3.42Å; I170-L188 HydrophobicContact CB-CB 4.42Å; I170-L188 PolarHBondContact N-O 2.99Å; I170-L188 PolarHBondContact O-N 3.45Å; L188-W365 HydrophobicContact CB-CH2 4.27Å; L188-W365 HydrophobicContact CD1-CH2 3.91Å; L188-W365 HydrophobicContact CD1-CZ2 4.34Å; L188-W365 HydrophobicContact CD1-CZ3 4.09Å; L188-W365 HydrophobicContact CG-CH2 3.72Å; L188-W365 HydrophobicContact CG-CZ2 4.48Å; L188-W365 HydrophobicContact CG-CZ3 4.04Å; L188-Q369 HydrophobicContact CD1-CB 3.33Å; L188-Q369 HydrophobicContact CD1-CG 3.98Å
189	L	97.2	Very high	91.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.8	175	-60.5	-174.3	0	0	0	109.1	L92 W114 I115 T117 V122 V166 V168 A169	L92-L189 HydrophobicContact CD1-CD1 3.81Å; L92-L189 HydrophobicContact CD2-CD1 4.06Å; W114-L189 WeakPolarHBondContact CA-O 3.31Å; I115-L189 HydrophobicContact CB-CB 4.17Å; I115-L189 PolarHBondContact N-O 2.98Å; I115-L189 PolarHBondContact O-N 3.32Å; T117-L189 HydrophobicContact CG2-CD1 3.73Å; T117-L189 HydrophobicContact CG2-CD2 4.48Å; T117-L189 HydrophobicContact CG2-CG 3.8Å; V122-L189 HydrophobicContact CG2-CD2 3.86Å; V166-L189 HydrophobicContact CG1-CB 3.74Å; V166-L189 HydrophobicContact CG1-CD1 4.18Å; V166-L189 HydrophobicContact CG1-CD2 4.03Å; V166-L189 HydrophobicContact CG1-CG 4.19Å; V166-L189 HydrophobicContact CG2-CD1 4.29Å; V168-L189 WeakPolarHBondContact O-CA 3.42Å; A169-L189 HydrophobicContact CB-CD2 3.59Å
190	R	95.7	Very high	92.5	Very high	55 Å²	55	46.3 Å²	46.3	21%	0.208	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.3	173.3	-159.8	-179.8	174.7	-165.1	-2.9	110.1	Q113 W114 T167 V168 I374	Q113-R190 VanDerWaalsContact CD-NE 3.33Å; Q113-R190 HydrophobicContact CG-CG 3.89Å; Q113-R190 VanDerWaalsContact O-CA 3.31Å; Q113-R190 WeakPolarHBondContact O-CA 3.4Å; W114-R190 HydrophobicContact CD2-CG 4.45Å; W114-R190 HydrophobicContact CE3-CB 4.08Å; W114-R190 HydrophobicContact CE3-CG 4.34Å; W114-R190 HydrophobicContact CH2-CB 4.13Å; W114-R190 HydrophobicContact CH2-CG 4.16Å; W114-R190 HydrophobicContact CZ2-CG 4.25Å; W114-R190 HydrophobicContact CZ3-CB 3.8Å; W114-R190 HydrophobicContact CZ3-CG 4.2Å; T167-R190 PolarHBondContact N-O 2.84Å; T167-R190 PolarHBondContact OG1-O 3.1Å; V168-R190 HydrophobicContact CB-CB 3.84Å; V168-R190 PolarHBondContact O-N 2.9Å; R190-I374 PolarHBondContact NH1-O 3.25Å
191	L	96.1	Very high	93.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	158.1	173.2	-61.6	-179.5	0	0	0	111.2	L109 Q113 I115 A147 L149 H164 R165 V166 E193 V195	L109-L191 HydrophobicContact CD1-CD1 4.25Å; Q113-L191 HydrophobicContact CG-CB 3.97Å; Q113-L191 VanDerWaalsContact CG-O 3.32Å; Q113-L191 WeakPolarHBondContact CG-O 3.41Å; Q113-L191 PolarHBondContact NE2-O 3.25Å; Q113-L191 PolarHBondContact O-N 2.76Å; I115-L191 HydrophobicContact CD1-CD1 4.22Å; I115-L191 HydrophobicContact CD1-CD2 3.48Å; I115-L191 VanDerWaalsContact CD1-CD2 3.48Å; I115-L191 HydrophobicContact CD1-CG 4.02Å; A147-L191 HydrophobicContact CB-CD2 3.67Å; L149-L191 HydrophobicContact CD1-CD1 4.39Å; H164-L191 HydrophobicContact CB-CB 4.25Å; H164-L191 HydrophobicContact CB-CD1 4.12Å; H164-L191 HydrophobicContact CB-CD2 3.72Å; H164-L191 HydrophobicContact CB-CG 4.25Å; R165-L191 CarbonylContact O-C 3.6Å; R165-L191 WeakPolarHBondContact O-CA 3.3Å; V166-L191 HydrophobicContact CG2-CD2 4.23Å; L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 WeakPolarHBondContact CB-O 2.91Å; L191-E193 PolarHBondContact O-N 2.97Å; L191-V195 HydrophobicContact CD1-CG2 3.41Å; L191-V195 VanDerWaalsContact CD1-CG2 3.41Å
192	S	94.8	Very high	94.2	Very high	41 Å²	41	42.8 Å²	42.8	29%	0.287	22%	0.222	S	C	.	.	S	Bend	trans	-59.8	-39.8	174.6	54.4	0	0	0	0	112.2	Q113 R165	Q113-S192 PolarHBondContact NE2-O 1.98Å; R165-S192 PolarHBondContact O-N 2.8Å
193	E	93.1	Very high	94.6	Very high	120 Å²	120	40 Å²	40	56%	0.561	21%	0.206	S	C	*	.	S	Bend	trans	-135.2	151	-177.2	-64.7	-58.4	139.4	0	0	109.8	L191	L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 WeakPolarHBondContact CB-O 2.91Å; L191-E193 PolarHBondContact O-N 2.97Å
194	P	92.8	Very high	94.9	Very high	76 Å²	76	40 Å²	40	49%	0.494	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-66.9	138.9	172.5	29.4	-34	0	0	0	111.1	P112 Q113	P112-P194 HydrophobicContact CB-CB 4.1Å; P112-P194 CarbonylContact O-C 3.59Å; P112-P194 WeakPolarHBondContact O-CA 3.41Å; Q113-P194 HydrophobicContact CB-CB 4.44Å
195	V	93.6	Very high	95	Very high	10 Å²	10	37 Å²	37	6%	0.061	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-85.6	136.9	178.4	-178.5	0	0	0	0	109.3	L109 P112 L149 L191 I201	L109-V195 HydrophobicContact CD2-CG1 4.49Å; P112-V195 WeakPolarHBondContact O-CB 3.37Å; P112-V195 PolarHBondContact O-N 2.6Å; L149-V195 HydrophobicContact CD1-CG2 3.99Å; L149-V195 HydrophobicContact CD2-CG1 4.46Å; L149-V195 HydrophobicContact CD2-CG2 4.24Å; L191-V195 HydrophobicContact CD1-CG2 3.41Å; L191-V195 VanDerWaalsContact CD1-CG2 3.41Å; V195-I201 HydrophobicContact CG1-CG2 3.6Å
196	K	93.4	Very high	95.1	Very high	181 Å²	181	37.7 Å²	37.7	79%	0.787	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-87.5	135.9	168.9	-65.6	-177.8	-178.7	179	0	108.6
197	T	92.7	Very high	95	Very high	78 Å²	78	37.8 Å²	37.8	48%	0.479	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-69	142.6	177.6	52.8	0	0	0	0	111	I201 F203	T197-I201 CarbonylContact C-O 3.55Å; T197-I201 VanDerWaalsContact CA-O 3.23Å; T197-I201 WeakPolarHBondContact CA-O 3.34Å; T197-F203 HydrophobicContact CG2-CD2 4Å; T197-F203 HydrophobicContact CG2-CE2 3.33Å; T197-F203 HydrophobicContact CG2-CZ 3.63Å
198	T	93.2	Very high	94.8	Very high	46 Å²	46	41.1 Å²	41.1	28%	0.282	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-134.1	168.5	171.2	76	0	0	0	0	108	E200 I201	T198-E200 PolarHBondContact O-N 2.68Å; T198-E200 VanDerWaalsContact O-N 3.09Å; T198-E200 PolarHBondContact OG1-N 3.13Å; T198-E200 PolarHBondContact OG1-OE2 3.14Å; T198-I201 PolarHBondContact N-O 3.08Å; T198-I201 CarbonylContact O-C 3.48Å; T198-I201 PolarHBondContact O-N 3.09Å; T198-I201 VanDerWaalsContact O-N 3.13Å; T198-I201 PolarHBondContact OG1-N 3.45Å; T198-I201 VanDerWaalsContact OG1-N 3.14Å
199	P	91.2	Very high	94.5	Very high	67 Å²	67	46 Å²	46	44%	0.435	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-33.1	167.6	-39.1	44.9	0	0	0	116.8
200	E	93.2	Very high	94.1	Very high	60 Å²	60	52.7 Å²	52.7	28%	0.28	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-11.4	-176.4	-56.3	79.2	-165.7	0	0	113.1	H84 P87 A160 T198	H84-E200 HydrophobicContact CB-CB 3.76Å; H84-E200 HydrophobicContact CB-CG 3.59Å; P87-E200 VanDerWaalsContact CA-O 3.3Å; P87-E200 WeakPolarHBondContact CA-O 3.45Å; A160-E200 HydrophobicContact CB-CB 3.86Å; A160-E200 HydrophobicContact CB-CG 3.7Å; T198-E200 PolarHBondContact O-N 2.68Å; T198-E200 VanDerWaalsContact O-N 3.09Å; T198-E200 PolarHBondContact OG1-N 3.13Å; T198-E200 PolarHBondContact OG1-OE2 3.14Å
201	I	95	Very high	93.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-134.1	109	-177.8	-57.7	175	0	0	0	109.6	P87 L109 L149 I162 V195 T197 T198	P87-I201 WeakPolarHBondContact O-CA 3.44Å; L109-I201 HydrophobicContact CD2-CG2 3.93Å; L149-I201 HydrophobicContact CB-CD1 3.85Å; L149-I201 HydrophobicContact CB-CG1 4.13Å; L149-I201 HydrophobicContact CB-CG2 4.13Å; L149-I201 HydrophobicContact CD2-CG2 4.1Å; I162-I201 HydrophobicContact CB-CD1 4.13Å; I162-I201 HydrophobicContact CD1-CD1 3.64Å; I162-I201 HydrophobicContact CG1-CD1 3.74Å; V195-I201 HydrophobicContact CG1-CG2 3.6Å; T197-I201 CarbonylContact C-O 3.55Å; T197-I201 VanDerWaalsContact CA-O 3.23Å; T197-I201 WeakPolarHBondContact CA-O 3.34Å; T198-I201 PolarHBondContact N-O 3.08Å; T198-I201 CarbonylContact O-C 3.48Å; T198-I201 PolarHBondContact O-N 3.09Å; T198-I201 VanDerWaalsContact O-N 3.13Å; T198-I201 PolarHBondContact OG1-N 3.45Å; T198-I201 VanDerWaalsContact OG1-N 3.14Å
202	D	95.3	Very high	93.6	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.144	32%	0.317	C	S	.	.			trans	-148.7	179.8	179.4	-151.4	-14.7	0	0	0	110.9	P87 W88	P87-D202 CarbonylContact C-O 3.44Å; P87-D202 HydrophobicContact CB-CB 3.69Å; P87-D202 VanDerWaalsContact CB-N 3.29Å; P87-D202 HydrophobicContact CG-CB 4.49Å; P87-D202 PolarHBondContact O-N 2.89Å; P87-D202 VanDerWaalsContact O-N 3.09Å; W88-D202 WeakPolarHBondContact CA-O 3.19Å; W88-D202 VanDerWaalsContact CB-O 3.25Å; W88-D202 WeakPolarHBondContact CB-O 3.49Å; W88-D202 PolarHBondContact N-O 3.06Å
203	F	96.3	Very high	93.5	Very high	7 Å²	7	60.7 Å²	60.7	3%	0.031	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-98.9	138.4	-175	-49.7	-56.8	0	0	0	112	L58 C62 G63 L109 A111 P112 T197	L58-F203 HydrophobicContact CD2-CD2 3.46Å; L58-F203 VanDerWaalsContact CD2-CD2 3.46Å; L58-F203 HydrophobicContact CD2-CE2 3.77Å; L58-F203 HydrophobicContact CD2-CG 4.23Å; C62-F203 CarbonylContact C-O 3.51Å; C62-F203 VanDerWaalsContact CA-O 3.29Å; C62-F203 WeakPolarHBondContact CA-O 3.16Å; C62-F203 HydrophobicContact CB-CB 4.23Å; C62-F203 WeakPolarHBondContact CB-O 3.3Å; G63-F203 PolarHBondContact N-O 2.66Å; L109-F203 HydrophobicContact CB-CD1 4.42Å; L109-F203 HydrophobicContact CD2-CD1 3.64Å; L109-F203 HydrophobicContact CD2-CE1 3.48Å; L109-F203 VanDerWaalsContact CD2-CE1 3.48Å; L109-F203 HydrophobicContact CG-CD1 3.63Å; L109-F203 HydrophobicContact CG-CE1 3.74Å; L109-F203 WeakPolarHBondContact O-CA 3.37Å; A111-F203 WeakPolarHBondContact O-CE1 3.28Å; P112-F203 HydrophobicContact CB-CZ 4.08Å; P112-F203 HydrophobicContact CG-CE1 4.41Å; P112-F203 HydrophobicContact CG-CE2 4.12Å; P112-F203 HydrophobicContact CG-CZ 3.66Å; T197-F203 HydrophobicContact CG2-CD2 4Å; T197-F203 HydrophobicContact CG2-CE2 3.33Å; T197-F203 HydrophobicContact CG2-CZ 3.63Å
204	A	97.4	Very high	93.4	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.9	146	164	0	0	0	0	0	109.6	W88 T108 L109 Y326 I337	W88-A204 HydrophobicContact CB-CB 3.92Å; W88-A204 VanDerWaalsContact CB-N 3.31Å; W88-A204 HydrophobicContact CD2-CB 3.96Å; W88-A204 HydrophobicContact CG-CB 3.59Å; T108-A204 HydrophobicContact CG2-CB 3.46Å; T108-A204 VanDerWaalsContact CG2-CB 3.46Å; L109-A204 PolarHBondContact O-N 3.3Å; A204-Y326 HydrophobicContact CB-CD1 4.4Å; A204-Y326 HydrophobicContact CB-CE1 4.15Å; A204-I337 HydrophobicContact CB-CB 4.32Å; A204-I337 HydrophobicContact CB-CG2 4.13Å
205	C	97.5	Very high	93	Very high	3 Å²	3	59 Å²	59	2%	0.02	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-72.7	144.6	171.6	-64.9	0	0	0	0	111.5	C62 G63 W335 H336 I337	C62-C205 HydrophobicContact CB-CB 4.01Å; C62-C205 WeakPolarHBondContact CB-SG 3.29Å; C62-C205 PolarHBondContact O-SG 3.19Å; C62-C205 WeakPolarHBondContact SG-CA 3.41Å; C62-C205 WeakPolarHBondContact SG-CB 3.44Å; C62-C205 CovalentContact SG-SG 2.04Å; C62-C205 PolarHBondContact SG-SG 3.17Å; G63-C205 PolarHBondContact N-SG 2.65Å; C205-W335 WeakPolarHBondContact CB-O 3Å; C205-W335 PolarHBondContact N-O 3.31Å; C205-W335 VanDerWaalsContact N-O 3.12Å; C205-H336 HydrophobicContact CB-CB 4.46Å; C205-H336 WeakPolarHBondContact CB-CD2 3.44Å; C205-H336 VanDerWaalsContact CB-NE2 3.28Å; C205-H336 WeakPolarHBondContact CB-NE2 3.32Å; C205-H336 CarbonylContact O-C 3.54Å; C205-H336 VanDerWaalsContact O-CA 3.24Å; C205-H336 WeakPolarHBondContact O-CA 3.16Å; C205-I337 WeakPolarHBondContact O-CG2 3.11Å; C205-I337 PolarHBondContact O-N 2.9Å
206	L	96.8	Very high	92.7	Very high	17 Å²	17	65.3 Å²	65.3	9%	0.089	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-88.9	136.1	171.4	-72.9	170.1	0	0	0	110	I55 I110 H336 I337 T359 M363 I366 L370	I55-L206 HydrophobicContact CD1-CD1 4.26Å; I55-L206 HydrophobicContact CG1-CD1 3.96Å; I110-L206 HydrophobicContact CB-CD2 4.35Å; I110-L206 HydrophobicContact CB-CG 4.46Å; I110-L206 HydrophobicContact CD1-CD1 4.37Å; I110-L206 HydrophobicContact CD1-CD2 4.35Å; I110-L206 HydrophobicContact CG2-CD2 4.07Å; L206-H336 PolarHBondContact O-CD2 2.84Å; L206-H336 VanDerWaalsContact O-CD2 3.31Å; L206-I337 HydrophobicContact CD2-CG2 4.04Å; L206-T359 HydrophobicContact CD2-CG2 3.94Å; L206-M363 HydrophobicContact CB-CE 3.85Å; L206-M363 HydrophobicContact CB-SD 3.87Å; L206-M363 HydrophobicContact CD1-CE 4.29Å; L206-M363 HydrophobicContact CD1-SD 4.45Å; L206-M363 HydrophobicContact CD2-SD 4.23Å; L206-M363 HydrophobicContact CG-SD 4.42Å; L206-I366 HydrophobicContact CD1-CG2 3.87Å; L206-I366 HydrophobicContact CD2-CD1 4.36Å; L206-I366 HydrophobicContact CD2-CG2 4.36Å; L206-L370 HydrophobicContact CD1-CD1 4.12Å
207	P	95.4	Very high	92.5	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.013	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-73	161.5	-175.2	31.8	-36.6	0	0	0	112.1	L211 I337 T359 M363	P207-L211 HydrophobicContact CB-CB 4.3Å; P207-L211 HydrophobicContact CB-CD2 3.57Å; P207-I337 VanDerWaalsContact CD-O 3.24Å; P207-I337 WeakPolarHBondContact CD-O 3.47Å; P207-T359 HydrophobicContact CG-CG2 3.84Å; P207-M363 WeakPolarHBondContact O-CG 3Å
208	S	93	Very high	92.4	Very high	69 Å²	69	57.7 Å²	57.7	48%	0.483	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-69	152.3	167.2	72.8	0	0	0	0	110.9	N210 L211 S360	S208-N210 PolarHBondContact O-N 3.34Å; S208-N210 VanDerWaalsContact O-N 3.16Å; S208-L211 WeakPolarHBondContact O-CB 3.4Å; S208-L211 PolarHBondContact O-N 2.96Å; S208-L211 PolarHBondContact OG-N 3.5Å; S208-S360 WeakPolarHBondContact O-CB 3.31Å
209	K	91	Very high	92.4	Very high	104 Å²	104	55.6 Å²	55.6	45%	0.452	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.7	178.8	-72.6	176.6	-169.2	175.5	0	113.6	M363 D364	K209-M363 HydrophobicContact CG-CB 3.69Å; K209-M363 HydrophobicContact CG-CG 4.47Å; K209-D364 WeakPolarHBondContact CE-OD1 3.4Å; K209-D364 IonicContact NZ-OD1 3.91Å; K209-D364 PolarHBondContact NZ-OD1 2.72Å; K209-D364 IonicContact NZ-OD2 3.74Å
210	N	88.1	Confident	92.5	Very high	142 Å²	142	52.9 Å²	52.9	76%	0.759	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	20.4	-174.9	-61.1	-32.7	0	0	0	112.4	S208 K212	S208-N210 PolarHBondContact O-N 3.34Å; S208-N210 VanDerWaalsContact O-N 3.16Å; N210-K212 PolarHBondContact O-N 2.78Å
211	L	92.7	Very high	92.4	Very high	32 Å²	32	50.1 Å²	50.1	17%	0.168	27%	0.267	C	S	.	.			trans	-54.9	124.4	178.8	178.7	63.9	0	0	0	110.2	P207 S208 L213 L329 V338	P207-L211 HydrophobicContact CB-CB 4.3Å; P207-L211 HydrophobicContact CB-CD2 3.57Å; S208-L211 WeakPolarHBondContact O-CB 3.4Å; S208-L211 PolarHBondContact O-N 2.96Å; S208-L211 PolarHBondContact OG-N 3.5Å; L211-L213 HydrophobicContact CD1-CD2 4.48Å; L211-L213 HydrophobicContact CD2-CD2 4.04Å; L211-L213 HydrophobicContact CD2-CG 4.3Å; L211-L213 HydrophobicContact CG-CD2 4.24Å; L211-L213 HydrophobicContact CG-CG 4.33Å; L211-L329 HydrophobicContact CD1-CD1 3.76Å; L211-L329 HydrophobicContact CD1-CD2 3.97Å; L211-L329 HydrophobicContact CD2-CD1 4.33Å; L211-V338 HydrophobicContact CD2-CB 4.16Å; L211-V338 HydrophobicContact CD2-CG1 3.53Å
212	K	90.2	Very high	92.1	Very high	190 Å²	190	50.5 Å²	50.5	83%	0.826	27%	0.269	S	S	*	.			trans	-108.3	117.4	172.2	-66.1	-176.4	-178.2	-179.9	0	108.6	N210	N210-K212 PolarHBondContact O-N 2.78Å
213	L	91.8	Very high	91.8	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.215	26%	0.264	C	S	.	.			trans	-92.4	147.5	173.6	-64.8	173	0	0	0	110	L211 I288 V307 C327 L329 V338	L211-L213 HydrophobicContact CD1-CD2 4.48Å; L211-L213 HydrophobicContact CD2-CD2 4.04Å; L211-L213 HydrophobicContact CD2-CG 4.3Å; L211-L213 HydrophobicContact CG-CD2 4.24Å; L211-L213 HydrophobicContact CG-CG 4.33Å; L213-I288 HydrophobicContact CB-CG1 4.26Å; L213-I288 HydrophobicContact CB-CG2 4.1Å; L213-I288 HydrophobicContact CD1-CD1 4.06Å; L213-I288 HydrophobicContact CD1-CG1 4.42Å; L213-V307 HydrophobicContact CD1-CG1 3.97Å; L213-V307 HydrophobicContact CD1-CG2 4.33Å; L213-C327 HydrophobicContact CD2-CB 4.33Å; L213-L329 HydrophobicContact CD2-CD2 4.49Å; L213-V338 HydrophobicContact CD1-CB 4.01Å; L213-V338 HydrophobicContact CD1-CG1 4.48Å; L213-V338 HydrophobicContact CD1-CG2 3.82Å; L213-V338 HydrophobicContact CD2-CG1 4.28Å
214	T	89.9	Confident	91.2	Very high	77 Å²	77	49.5 Å²	49.5	47%	0.472	27%	0.265	S	S	.	.			trans	-121.7	164.6	175.2	70.2	0	0	0	0	109.5	N216 S217 I288	T214-N216 PolarHBondContact O-N 2.86Å; T214-N216 VanDerWaalsContact O-N 3.08Å; T214-N216 PolarHBondContact OG1-N 3.41Å; T214-S217 PolarHBondContact N-OG 2.82Å; T214-S217 VanDerWaalsContact N-OG 3.1Å; T214-S217 VanDerWaalsContact O-CB 3.27Å; T214-S217 WeakPolarHBondContact O-CB 3.28Å; T214-S217 PolarHBondContact O-N 2.94Å; T214-S217 PolarHBondContact O-OG 2.94Å; T214-I288 WeakPolarHBondContact O-CB 3.36Å
215	S	86.4	Confident	90	Very high	83 Å²	83	49.7 Å²	49.7	58%	0.58	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.8	175.7	54.7	0	0	0	0	113.6
216	N	85.6	Confident	88.2	Confident	144 Å²	144	50.3 Å²	50.3	77%	0.77	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.5	-180	-61.8	-9.4	0	0	0	112.8	T214 K218	T214-N216 PolarHBondContact O-N 2.86Å; T214-N216 VanDerWaalsContact O-N 3.08Å; T214-N216 PolarHBondContact OG1-N 3.41Å; N216-K218 PolarHBondContact O-N 3.46Å
217	S	89.7	Confident	86.3	Confident	25 Å²	25	54.2 Å²	54.2	18%	0.175	29%	0.292	C	S	.	.			trans	-62.7	125.6	177	-65.5	0	0	0	0	110	T214 C219	T214-S217 PolarHBondContact N-OG 2.82Å; T214-S217 VanDerWaalsContact N-OG 3.1Å; T214-S217 VanDerWaalsContact O-CB 3.27Å; T214-S217 WeakPolarHBondContact O-CB 3.28Å; T214-S217 PolarHBondContact O-N 2.94Å; T214-S217 PolarHBondContact O-OG 2.94Å; S217-C219 PolarHBondContact O-N 3.2Å; S217-C219 VanDerWaalsContact O-N 3.16Å; S217-C219 PolarHBondContact O-SG 2.93Å
218	K	91.3	Very high	84.3	Confident	74 Å²	74	59.8 Å²	59.8	32%	0.322	32%	0.316	S	S	.	.			trans	-75.8	102.7	178.7	-175.8	176.7	-175.4	176.1	0	109.7	N216 Y220 C327 Y328 W335	N216-K218 PolarHBondContact O-N 3.46Å; K218-Y220 HydrophobicContact CD-CE2 4.46Å; K218-Y220 HydrophobicContact CG-CD2 4.43Å; K218-Y220 HydrophobicContact CG-CE2 3.85Å; K218-C327 WeakPolarHBondContact O-CA 3.34Å; K218-Y328 PolarHBondContact O-N 2.76Å; K218-W335 HydrophobicContact CG-CH2 4.44Å
219	C	93.3	Very high	82.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.5	-175	-53.8	0	0	0	0	112.1	S217 E285 L286 I288 L325 Y326 C327	S217-C219 PolarHBondContact O-N 3.2Å; S217-C219 VanDerWaalsContact O-N 3.16Å; S217-C219 PolarHBondContact O-SG 2.93Å; C219-E285 CarbonylContact O-C 3.58Å; C219-E285 WeakPolarHBondContact O-CA 3.36Å; C219-L286 PolarHBondContact O-N 3.11Å; C219-I288 HydrophobicContact CB-CD1 4.23Å; C219-L325 HydrophobicContact CB-CD1 4.1Å; C219-Y326 CarbonylContact C-O 3.55Å; C219-Y326 WeakPolarHBondContact CA-O 3.22Å; C219-C327 HydrophobicContact CB-CB 4.12Å; C219-C327 WeakPolarHBondContact CB-SG 3.23Å; C219-C327 WeakPolarHBondContact SG-CB 3.28Å; C219-C327 CovalentContact SG-SG 2.03Å; C219-C327 PolarHBondContact SG-SG 3.47Å
220	Y	92.2	Very high	80.2	Confident	10 Å²	10	56.4 Å²	56.4	4%	0.039	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.8	-178.8	-77.5	-105.7	0	0	0	109.9	I71 W86 K218 E283 V284 E285 Y326 W335	I71-Y220 WeakPolarHBondContact CG2-OH 3.44Å; W86-Y220 HydrophobicContact CH2-CG 4.3Å; W86-Y220 HydrophobicContact CZ2-CD1 4.28Å; W86-Y220 AromaticContact CZ2-CG 3.97Å; W86-Y220 HydrophobicContact CZ2-CG 3.97Å; K218-Y220 HydrophobicContact CD-CE2 4.46Å; K218-Y220 HydrophobicContact CG-CD2 4.43Å; K218-Y220 HydrophobicContact CG-CE2 3.85Å; Y220-E283 HydrophobicContact CD1-CB 4.11Å; Y220-E283 HydrophobicContact CD1-CG 4.17Å; Y220-E283 HydrophobicContact CE1-CG 4.37Å; Y220-V284 CarbonylContact C-O 3.57Å; Y220-V284 VanDerWaalsContact CA-O 3.25Å; Y220-V284 WeakPolarHBondContact CA-O 3.24Å; Y220-E285 HydrophobicContact CD1-CB 4.23Å; Y220-E285 HydrophobicContact CD2-CG 4.33Å; Y220-E285 HydrophobicContact CE1-CB 3.76Å; Y220-E285 HydrophobicContact CE1-CG 4.41Å; Y220-E285 HydrophobicContact CE2-CB 4.02Å; Y220-E285 HydrophobicContact CE2-CG 3.75Å; Y220-E285 PolarHBondContact OH-OE2 3.03Å; Y220-Y326 PolarHBondContact N-O 3.29Å; Y220-Y326 PolarHBondContact O-N 2.89Å; Y220-W335 AromaticContact CD2-CH2 3.5Å; Y220-W335 HydrophobicContact CD2-CH2 3.5Å; Y220-W335 VanDerWaalsContact CD2-CH2 3.5Å; Y220-W335 AromaticContact CD2-CZ3 3.78Å; Y220-W335 HydrophobicContact CD2-CZ3 3.78Å; Y220-W335 AromaticContact CE2-CH2 3.93Å; Y220-W335 HydrophobicContact CE2-CH2 3.93Å; Y220-W335 HydrophobicContact CG-CH2 4.34Å; Y220-W335 HydrophobicContact CG-CZ3 4.46Å
221	A	90.7	Very high	78.2	Confident	3 Å²	3	59.2 Å²	59.2	3%	0.025	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.4	161.1	0	0	0	0	0	109.4	E283 V284 L286 T316	A221-E283 WeakPolarHBondContact O-CA 3.22Å; A221-V284 HydrophobicContact CB-CG1 4.05Å; A221-V284 PolarHBondContact N-O 3.42Å; A221-V284 PolarHBondContact O-N 2.86Å; A221-L286 HydrophobicContact CB-CD1 3.58Å; A221-L286 HydrophobicContact CB-CG 4.32Å; A221-T316 HydrophobicContact CB-CG2 3.24Å
222	V	89.9	Confident	76	Confident	8 Å²	8	59.9 Å²	59.9	5%	0.048	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.1	-172.6	-179	0	0	0	0	108.8	W86 A89 L281 H282 E283 Y326	W86-V222 HydrophobicContact CB-CG1 4.19Å; W86-V222 HydrophobicContact CD2-CG1 4.47Å; W86-V222 HydrophobicContact CD2-CG2 3.55Å; W86-V222 HydrophobicContact CE3-CG2 4.07Å; W86-V222 HydrophobicContact CG-CG1 3.92Å; W86-V222 HydrophobicContact CG-CG2 3.86Å; W86-V222 HydrophobicContact CH2-CG2 4.23Å; W86-V222 HydrophobicContact CZ2-CG2 3.73Å; W86-V222 HydrophobicContact CZ3-CG2 4.38Å; A89-V222 HydrophobicContact CB-CG1 4.14Å; V222-L281 HydrophobicContact CG1-CD1 3.54Å; V222-L281 HydrophobicContact CG1-CD2 3.66Å; V222-L281 HydrophobicContact CG1-CG 3.69Å; V222-H282 VanDerWaalsContact CA-O 3.31Å; V222-H282 WeakPolarHBondContact CA-O 3.19Å; V222-E283 HydrophobicContact CG2-CB 4.16Å; V222-Y326 HydrophobicContact CB-CD2 4.44Å; V222-Y326 HydrophobicContact CB-CE2 4.01Å; V222-Y326 HydrophobicContact CG2-CD2 3.89Å; V222-Y326 HydrophobicContact CG2-CE2 3.95Å
223	G	88	Confident	73.9	Confident	5 Å²	5	51.7 Å²	51.7	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	180	-177.8	175.5	0	0	0	0	0	114.3	L281 H282 D320	G223-L281 WeakPolarHBondContact O-CD1 3.31Å; G223-H282 PolarHBondContact N-O 2.92Å; G223-H282 PolarHBondContact O-N 3.28Å; G223-D320 VanDerWaalsContact CA-OD1 3.23Å; G223-D320 WeakPolarHBondContact CA-OD1 3.42Å
224	W	85	Confident	71.7	Confident	9 Å²	9	50.1 Å²	50.1	3%	0.034	29%	0.289	C	S	.	.	S	Bend	trans	-104.8	20.4	177.7	-65.6	-94.7	0	0	0	111.4	A89 R91 D151 H152 S278 L281	A89-W224 HydrophobicContact CB-CH2 4.38Å; R91-W224 HydrophobicContact CB-CD2 4.28Å; R91-W224 HydrophobicContact CB-CE3 3.87Å; R91-W224 HydrophobicContact CB-CH2 3.77Å; R91-W224 HydrophobicContact CB-CZ2 4.17Å; R91-W224 HydrophobicContact CB-CZ3 3.61Å; R91-W224 HydrophobicContact CG-CD2 4.29Å; R91-W224 HydrophobicContact CG-CE3 4.08Å; R91-W224 HydrophobicContact CG-CZ3 4.34Å; D151-W224 HydrophobicContact CB-CZ2 4.04Å; D151-W224 WeakPolarHBondContact O-CZ2 3.46Å; H152-W224 PolarHBondContact O-NE1 2.83Å; W224-S278 PolarHBondContact O-N 3.06Å; W224-L281 HydrophobicContact CD2-CD1 3.56Å; W224-L281 VanDerWaalsContact CE2-CD1 3.49Å; W224-L281 HydrophobicContact CE3-CD1 3.62Å; W224-L281 HydrophobicContact CG-CD1 4.3Å; W224-L281 HydrophobicContact CH2-CD1 3.59Å; W224-L281 HydrophobicContact CZ2-CB 4.09Å; W224-L281 HydrophobicContact CZ2-CD1 3.53Å; W224-L281 HydrophobicContact CZ2-CD2 4.34Å; W224-L281 HydrophobicContact CZ2-CG 4.18Å; W224-L281 HydrophobicContact CZ3-CD1 3.63Å
225	G	72	Confident	69.9	Low	5 Å²	5	47.6 Å²	47.6	5%	0.052	27%	0.271	C	S	.	.			trans	-66.4	176.9	-178.9	0	0	0	0	0	114.2	N227 S278 A318 D320	G225-N227 PolarHBondContact O-N 2.89Å; G225-S278 PolarHBondContact O-N 3.04Å; G225-S278 VanDerWaalsContact O-N 3.12Å; G225-A318 CarbonylContact C-O 3.51Å; G225-A318 WeakPolarHBondContact CA-O 3.24Å; G225-D320 WeakPolarHBondContact CA-OD1 3.45Å; G225-D320 PolarHBondContact N-OD1 2.84Å
226	S	59.9	Low	68.1	Low	15 Å²	15	48.7 Å²	48.7	11%	0.105	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-63.6	127.9	177	178.7	0	0	0	0	111.1	K228 E276 C317 A318	S226-K228 VanDerWaalsContact C-N 3.27Å; S226-K228 PolarHBondContact OG-N 2.85Å; S226-K228 PolarHBondContact OG-O 3.17Å; S226-E276 WeakPolarHBondContact CA-O 3.36Å; S226-E276 WeakPolarHBondContact CB-O 3.34Å; S226-E276 PolarHBondContact OG-O 2.04Å; S226-E276 VanDerWaalsContact OG-O 3.1Å; S226-C317 VanDerWaalsContact O-CB 3.28Å; S226-C317 WeakPolarHBondContact O-CB 3.31Å; S226-A318 PolarHBondContact N-O 2.95Å
227	N	56.8	Low	66.3	Low	100 Å²	100	43.2 Å²	43.2	54%	0.535	24%	0.241	S	C	.	.	S	Bend	trans	-84.3	-3.8	173.6	65.1	0.9	0	0	0	112.5	G225	G225-N227 PolarHBondContact O-N 2.89Å
228	K	52.6	Low	64.6	Low	118 Å²	118	42.8 Å²	42.8	51%	0.513	24%	0.237	S	C	.	.	S	Bend	trans	-96.4	112.8	176.1	-65.3	-178	-173.4	167.2	0	109.5	S226 G230 E276	S226-K228 VanDerWaalsContact C-N 3.27Å; S226-K228 PolarHBondContact OG-N 2.85Å; S226-K228 PolarHBondContact OG-O 3.17Å; K228-G230 PolarHBondContact O-N 3Å; K228-E276 HydrophobicContact CD-CG 4.43Å
229	G	50.3	Low	62.5	Low	66 Å²	66	42.4 Å²	42.4	68%	0.68	24%	0.236	S	C	*	.			trans	-57.7	127	163.6	0	0	0	0	0	109.4
230	G	48.9	Very low	60.4	Low	36 Å²	36	44.1 Å²	44.1	37%	0.371	25%	0.248	S	C	.	.			trans	-177.6	171.8	-169.2	0	0	0	0	0	113.3	K228 I232 G348	K228-G230 PolarHBondContact O-N 3Å; G230-I232 PolarHBondContact O-N 3.43Å; G230-G348 WeakPolarHBondContact O-CA 3.29Å
231	K	45.4	Very low	58.3	Low	201 Å²	201	45 Å²	45	87%	0.874	25%	0.253	S	S	*	.	S	Bend	trans	-62.9	6.7	-167.7	-67.3	-177.3	178	177.4	0	116.1	P233	K231-P233 WeakPolarHBondContact O-CD 3.36Å
232	I	47.1	Very low	56.5	Low	46 Å²	46	45 Å²	45	24%	0.236	25%	0.252	C	S	.	.	S	Bend	trans	-96.4	113.6	-177.3	-60.6	176	0	0	0	107.9	G230 N237 E276 A318	G230-I232 PolarHBondContact O-N 3.43Å; I232-N237 WeakPolarHBondContact CG2-ND2 3.25Å; I232-E276 WeakPolarHBondContact CD1-OE2 3.3Å; I232-A318 HydrophobicContact CG2-CB 4.1Å
233	P	44.2	Very low	54.8	Low	19 Å²	19	50.7 Å²	50.7	12%	0.123	28%	0.279	C	S	.	.			trans	-57.9	143.2	173.9	-20.9	34	0	0	0	110.2	K231 F235 D236 A346	K231-P233 WeakPolarHBondContact O-CD 3.36Å; P233-F235 PolarHBondContact O-N 3.4Å; P233-D236 HydrophobicContact CB-CB 4.26Å; P233-D236 HydrophobicContact CG-CB 4.37Å; P233-D236 WeakPolarHBondContact CG-OD2 3.09Å; P233-A346 HydrophobicContact CB-CB 4.04Å; P233-A346 HydrophobicContact CG-CB 3.58Å
234	T	47	Very low	53.1	Low	8 Å²	8	51.4 Å²	51.4	5%	0.049	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-19	178.2	23.2	0	0	0	0	114.8	T316 C317 S321	T234-T316 WeakPolarHBondContact CG2-O 3.45Å; T234-C317 VanDerWaalsContact CG2-CA 3.43Å; T234-S321 PolarHBondContact O-OG 2.95Å
235	F	52.5	Low	51.6	Low	24 Å²	24	51.2 Å²	51.2	11%	0.105	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133	-6.6	-164.2	-59.1	-78	0	0	0	116	H120 P233 N237 T341 S342 F343 G344	H120-F235 AromaticContact CE1-CD1 3.79Å; H120-F235 AromaticContact NE2-CD1 3.77Å; P233-F235 PolarHBondContact O-N 3.4Å; F235-N237 VanDerWaalsContact C-N 3.34Å; F235-N237 PolarHBondContact O-N 2.89Å; F235-T341 HydrophobicContact CE1-CG2 3.93Å; F235-T341 HydrophobicContact CZ-CG2 3.64Å; F235-S342 WeakPolarHBondContact CD1-O 3.42Å; F235-S342 WeakPolarHBondContact CE1-O 3.12Å; F235-S342 WeakPolarHBondContact CG-O 3.43Å; F235-S342 WeakPolarHBondContact CZ-O 3.39Å; F235-F343 VanDerWaalsContact CD2-C 3.44Å; F235-F343 HydrophobicContact CD2-CB 4.17Å; F235-F343 HydrophobicContact CE2-CB 4.33Å; F235-F343 WeakPolarHBondContact CE2-O 3.15Å; F235-F343 VanDerWaalsContact CZ-CA 3.41Å; F235-G344 VanDerWaalsContact CD2-N 3.28Å
236	D	47.8	Very low	50.9	Low	106 Å²	106	55.7 Å²	55.7	57%	0.567	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-8	-176.2	-77.6	-32.8	0	0	0	113.8	P233	P233-D236 HydrophobicContact CB-CB 4.26Å; P233-D236 HydrophobicContact CG-CB 4.37Å; P233-D236 WeakPolarHBondContact CG-OD2 3.09Å
237	N	48.7	Very low	50.6	Low	28 Å²	28	58.3 Å²	58.3	15%	0.15	31%	0.313	C	S	.	.	H	α-helix	trans	-91	-10.2	-169.2	-71.7	12.7	0	0	0	115.4	I232 F235 H239 S240 I241 E273	I232-N237 WeakPolarHBondContact CG2-ND2 3.25Å; F235-N237 VanDerWaalsContact C-N 3.34Å; F235-N237 PolarHBondContact O-N 2.89Å; N237-H239 PolarHBondContact O-N 3.14Å; N237-S240 VanDerWaalsContact CA-OG 3.25Å; N237-S240 WeakPolarHBondContact CA-OG 3.39Å; N237-S240 WeakPolarHBondContact CB-OG 3.33Å; N237-S240 PolarHBondContact O-N 2.93Å; N237-S240 PolarHBondContact O-OG 2.82Å; N237-I241 HydrophobicContact CB-CD1 3.95Å; N237-I241 HydrophobicContact CB-CG1 4.25Å; N237-I241 WeakPolarHBondContact O-CB 3.16Å; N237-I241 WeakPolarHBondContact O-CD1 3.19Å; N237-I241 WeakPolarHBondContact O-CG1 3.14Å; N237-I241 PolarHBondContact O-N 2.94Å; N237-E273 PolarHBondContact ND2-OE1 2.03Å
238	I	52.5	Low	50.1	Low	16 Å²	16	58.8 Å²	58.8	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-39.4	175.6	-60	-171.8	0	0	0	109.3	F104 C105 H120 L242	F104-I238 HydrophobicContact CD2-CD1 4.37Å; C105-I238 VanDerWaalsContact SG-CD1 3.52Å; H120-I238 VanDerWaalsContact CD2-CD1 3.48Å; H120-I238 WeakPolarHBondContact CD2-CD1 3.26Å; I238-L242 HydrophobicContact CG2-CD1 3.46Å; I238-L242 VanDerWaalsContact CG2-CD1 3.46Å; I238-L242 HydrophobicContact CG2-CG 4.22Å; I238-L242 WeakPolarHBondContact O-CB 3.41Å; I238-L242 VanDerWaalsContact O-CD1 3.27Å; I238-L242 WeakPolarHBondContact O-CD1 3.2Å; I238-L242 WeakPolarHBondContact O-CG 3.27Å; I238-L242 PolarHBondContact O-N 3.13Å; I238-L242 VanDerWaalsContact O-N 3.12Å
239	H	48.4	Very low	49.8	Very low	67 Å²	67	60.5 Å²	60.5	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-70.2	-41.1	175	-90.4	-40.9	0	0	0	113.7	K127 R177 N237 L242 E243	K127-H239 WeakPolarHBondContact CE-CE1 3.48Å; K127-H239 WeakPolarHBondContact CE-NE2 3.27Å; R177-H239 PolarHBondContact NH1-NE2 3.17Å; N237-H239 PolarHBondContact O-N 3.14Å; H239-L242 PolarHBondContact O-N 2.89Å; H239-E243 VanDerWaalsContact O-CB 3.3Å; H239-E243 WeakPolarHBondContact O-CB 3.36Å; H239-E243 VanDerWaalsContact O-CG 3.32Å; H239-E243 WeakPolarHBondContact O-CG 3.39Å; H239-E243 PolarHBondContact O-N 2.64Å
240	S	48.3	Very low	49.3	Very low	37 Å²	37	61.8 Å²	61.8	26%	0.259	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-46.2	178.1	63.6	0	0	0	0	111.9	N237 L242 E243 S244 E273	N237-S240 VanDerWaalsContact CA-OG 3.25Å; N237-S240 WeakPolarHBondContact CA-OG 3.39Å; N237-S240 WeakPolarHBondContact CB-OG 3.33Å; N237-S240 PolarHBondContact O-N 2.93Å; N237-S240 PolarHBondContact O-OG 2.82Å; S240-L242 VanDerWaalsContact C-N 3.29Å; S240-L242 PolarHBondContact O-N 3.34Å; S240-E243 PolarHBondContact O-N 2.99Å; S240-S244 PolarHBondContact O-N 3.36Å; S240-E273 PolarHBondContact OG-OE1 2.77Å
241	I	48.8	Very low	48.8	Very low	28 Å²	28	64.4 Å²	64.4	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-45.3	179.8	-69.6	167	0	0	0	109.6	V102 N237 S244 L245 E273	V102-I241 HydrophobicContact CB-CG2 4.46Å; V102-I241 HydrophobicContact CG1-CG2 3.4Å; N237-I241 HydrophobicContact CB-CD1 3.95Å; N237-I241 HydrophobicContact CB-CG1 4.25Å; N237-I241 WeakPolarHBondContact O-CB 3.16Å; N237-I241 WeakPolarHBondContact O-CD1 3.19Å; N237-I241 WeakPolarHBondContact O-CG1 3.14Å; N237-I241 PolarHBondContact O-N 2.94Å; I241-S244 PolarHBondContact O-N 2.9Å; I241-S244 PolarHBondContact O-OG 2.88Å; I241-L245 PolarHBondContact O-N 3.11Å; I241-E273 WeakPolarHBondContact CG1-OE2 3.36Å
242	L	53.1	Low	48.3	Very low	2 Å²	2	63 Å²	63	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-77.9	-38.9	-176.8	-65.2	178	0	0	0	112.7	V94 V124 I238 H239 S240 S244 L245 F246	V94-L242 HydrophobicContact CG1-CD2 3.78Å; V124-L242 HydrophobicContact CB-CD1 3.74Å; V124-L242 HydrophobicContact CG1-CD1 3.34Å; V124-L242 HydrophobicContact CG1-CD2 3.47Å; V124-L242 VanDerWaalsContact CG1-CD2 3.47Å; V124-L242 HydrophobicContact CG1-CG 4.04Å; V124-L242 HydrophobicContact CG2-CD1 4.27Å; V124-L242 WeakPolarHBondContact O-CD1 3.46Å; I238-L242 HydrophobicContact CG2-CD1 3.46Å; I238-L242 VanDerWaalsContact CG2-CD1 3.46Å; I238-L242 HydrophobicContact CG2-CG 4.22Å; I238-L242 WeakPolarHBondContact O-CB 3.41Å; I238-L242 VanDerWaalsContact O-CD1 3.27Å; I238-L242 WeakPolarHBondContact O-CD1 3.2Å; I238-L242 WeakPolarHBondContact O-CG 3.27Å; I238-L242 PolarHBondContact O-N 3.13Å; I238-L242 VanDerWaalsContact O-N 3.12Å; H239-L242 PolarHBondContact O-N 2.89Å; S240-L242 VanDerWaalsContact C-N 3.29Å; S240-L242 PolarHBondContact O-N 3.34Å; L242-S244 PolarHBondContact O-N 2.73Å; L242-L245 HydrophobicContact CD2-CD1 3.94Å; L242-L245 WeakPolarHBondContact O-CA 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 2.89Å; L242-F246 HydrophobicContact CB-CD2 4.27Å; L242-F246 HydrophobicContact CB-CE2 3.98Å; L242-F246 WeakPolarHBondContact O-CD2 3.29Å; L242-F246 PolarHBondContact O-N 3.22Å
243	E	52.4	Low	47.8	Very low	129 Å²	129	69.4 Å²	69.4	60%	0.603	37%	0.366	S	S	*	.	H	α-helix	trans	-57.3	-37.3	172.6	-78.3	-160.4	-177.1	0	0	111	H239 S240 L245 F246 L247	H239-E243 VanDerWaalsContact O-CB 3.3Å; H239-E243 WeakPolarHBondContact O-CB 3.36Å; H239-E243 VanDerWaalsContact O-CG 3.32Å; H239-E243 WeakPolarHBondContact O-CG 3.39Å; H239-E243 PolarHBondContact O-N 2.64Å; S240-E243 PolarHBondContact O-N 2.99Å; E243-L245 PolarHBondContact O-N 2.95Å; E243-F246 PolarHBondContact O-N 2.91Å; E243-L247 WeakPolarHBondContact O-CG 3.28Å; E243-L247 PolarHBondContact O-N 3.05Å; E243-L247 VanDerWaalsContact O-N 3.11Å
244	S	53.4	Low	47.1	Very low	19 Å²	19	76.6 Å²	76.6	13%	0.133	40%	0.403	C	S	.	.	H	α-helix	trans	-62.3	-28.4	173.4	89.9	0	0	0	0	113.8	S240 I241 L242	S240-S244 PolarHBondContact O-N 3.36Å; I241-S244 PolarHBondContact O-N 2.9Å; I241-S244 PolarHBondContact O-OG 2.88Å; L242-S244 PolarHBondContact O-N 2.73Å
245	L	53.3	Low	46.7	Very low	6 Å²	6	82.3 Å²	82.3	3%	0.031	44%	0.439	C	S	.	.	H	α-helix	trans	-82.3	-29.1	177	-70.2	170.8	0	0	0	112.9	V94 L96 V102 I241 L242 E243	V94-L245 HydrophobicContact CG1-CD1 4.38Å; L96-L245 HydrophobicContact CD1-CB 3.86Å; L96-L245 HydrophobicContact CD1-CD1 3.84Å; L96-L245 HydrophobicContact CD1-CG 4.33Å; L96-L245 HydrophobicContact CD2-CB 4.29Å; V102-L245 HydrophobicContact CB-CD1 3.92Å; V102-L245 HydrophobicContact CG2-CD1 3.7Å; V102-L245 HydrophobicContact CG2-CD2 3.68Å; V102-L245 HydrophobicContact CG2-CG 4.11Å; I241-L245 PolarHBondContact O-N 3.11Å; L242-L245 HydrophobicContact CD2-CD1 3.94Å; L242-L245 WeakPolarHBondContact O-CA 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 2.89Å; E243-L245 PolarHBondContact O-N 2.95Å
246	F	56.7	Low	45.8	Very low	98 Å²	98	86.9 Å²	86.9	43%	0.43	47%	0.471	S	S	.	.	H	α-helix	trans	-89.6	-4.7	179.6	-65.8	-65	0	0	0	114.3	L96 E125 L242 E243	L96-F246 HydrophobicContact CD1-CE1 4.45Å; L96-F246 HydrophobicContact CD1-CZ 4.19Å; L96-F246 HydrophobicContact CD2-CD1 3.75Å; L96-F246 HydrophobicContact CD2-CE1 3.37Å; L96-F246 HydrophobicContact CD2-CZ 3.92Å; L96-F246 HydrophobicContact CG-CE1 4.03Å; L96-F246 HydrophobicContact CG-CZ 4.22Å; E125-F246 HydrophobicContact CB-CZ 4.08Å; E125-F246 HydrophobicContact CG-CE1 4.3Å; E125-F246 HydrophobicContact CG-CE2 4.26Å; E125-F246 HydrophobicContact CG-CZ 3.52Å; E125-F246 WeakPolarHBondContact OE1-CE1 3.46Å; E125-F246 WeakPolarHBondContact OE1-CZ 3.41Å; L242-F246 HydrophobicContact CB-CD2 4.27Å; L242-F246 HydrophobicContact CB-CE2 3.98Å; L242-F246 WeakPolarHBondContact O-CD2 3.29Å; L242-F246 PolarHBondContact O-N 3.22Å; E243-F246 PolarHBondContact O-N 2.91Å
247	L	54	Low	45.2	Very low	70 Å²	70	90.9 Å²	90.9	37%	0.366	48%	0.483	S	S	.	.	S	Bend	trans	-59.8	126.4	172.9	-73.8	-179.9	0	0	0	110.8	R99 E243 F249 I266	R99-L247 PolarHBondContact NH2-O 2.9Å; E243-L247 WeakPolarHBondContact O-CG 3.28Å; E243-L247 PolarHBondContact O-N 3.05Å; E243-L247 VanDerWaalsContact O-N 3.11Å; L247-F249 PolarHBondContact O-N 3.23Å; L247-I266 HydrophobicContact CD1-CB 4.4Å; L247-I266 HydrophobicContact CD1-CD1 4.01Å; L247-I266 HydrophobicContact CD1-CG2 3.8Å
248	P	46.5	Very low	44.5	Very low	110 Å²	110	95.6 Å²	95.6	71%	0.714	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-59.5	138.5	172.2	24.5	-30.3	0	0	0	108.6
249	F	46.1	Very low	43.7	Very low	154 Å²	154	104.8 Å²	104.8	68%	0.675	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-51.6	139	166.8	-93.3	-91.9	0	0	0	108	L247 S251	L247-F249 PolarHBondContact O-N 3.23Å; F249-S251 VanDerWaalsContact C-N 3.35Å; F249-S251 PolarHBondContact O-N 3.01Å
250	P	40.8	Very low	42.8	Very low	93 Å²	93	104.8 Å²	104.8	60%	0.604	57%	0.571	S	S	*	*			trans	-59.6	108.4	164.6	2.3	7.2	0	0	0	105.7	L252	P250-L252 PolarHBondContact O-N 2.88Å; P250-L252 VanDerWaalsContact O-N 3.16Å
251	S	37.3	Very low	42	Very low	91 Å²	91	114.9 Å²	114.9	64%	0.636	60%	0.603	S	S	*	*			trans	-60.4	121	168.3	49.1	0	0	0	0	106.1	F249 F253	F249-S251 VanDerWaalsContact C-N 3.35Å; F249-S251 PolarHBondContact O-N 3.01Å; S251-F253 PolarHBondContact O-N 3.11Å
252	L	35.1	Very low	41.2	Very low	173 Å²	173	123.3 Å²	123.3	91%	0.906	63%	0.633	S	S	*	*			trans	-62.7	76.2	166.7	-78.2	158.9	0	0	0	108.6	P250	P250-L252 PolarHBondContact O-N 2.88Å; P250-L252 VanDerWaalsContact O-N 3.16Å
253	F	36	Very low	40.5	Very low	180 Å²	180	130.5 Å²	130.5	79%	0.789	67%	0.667	S	S	*	*			trans	-135.4	107.9	166.2	-85.8	-75.7	0	0	0	107.6	S251 T255	S251-F253 PolarHBondContact O-N 3.11Å; F253-T255 PolarHBondContact O-N 3.43Å
254	N	31.2	Very low	39.6	Very low	169 Å²	169	128.8 Å²	128.8	90%	0.904	67%	0.669	S	S	*	*			trans	-54.9	111.8	174	-76.9	-32.6	0	0	0	110.3
255	T	36.7	Very low	38.8	Very low	129 Å²	129	130 Å²	130	79%	0.791	68%	0.677	S	S	*	*			trans	-127.9	111.7	149.9	49.9	0	0	0	0	108.1	F253 F257	F253-T255 PolarHBondContact O-N 3.43Å; T255-F257 PolarHBondContact O-N 2.72Å
256	P	34.9	Very low	38	Very low	120 Å²	120	132.7 Å²	132.7	78%	0.779	69%	0.691	S	S	*	*			trans	-81.6	107	169.9	30.7	-24.6	0	0	0	106.8
257	F	35.4	Very low	36.8	Very low	190 Å²	190	136 Å²	136	83%	0.833	70%	0.701	S	S	*	*			trans	167.6	139.7	140.1	-110.8	-108.3	0	0	0	111.8	T255	T255-F257 PolarHBondContact O-N 2.72Å
258	T	33.5	Very low	35.8	Very low	127 Å²	127	137.2 Å²	137.2	78%	0.779	71%	0.708	S	S	*	*	S	Bend	trans	87.4	116.8	165.6	68.4	0	0	0	0	119.8
259	F	35.3	Very low	35.6	Very low	208 Å²	208	135.6 Å²	135.6	91%	0.912	69%	0.693	S	S	*	*			trans	74.2	97.7	153.5	-109.7	-98.6	0	0	0	119.1
260	G	29.7	Very low	35.3	Very low	67 Å²	67	131.1 Å²	131.1	69%	0.691	67%	0.673	S	S	*	*			trans	-69.2	171.2	168.5	0	0	0	0	0	113.8
261	R	31	Very low	35.3	Very low	249 Å²	249	132.9 Å²	132.9	94%	0.94	67%	0.671	S	S	*	*			trans	95.7	91.2	165.4	-160.1	-177.1	-110	-165.7	-4	114.8
262	R	33.6	Very low	35.6	Very low	205 Å²	205	132.8 Å²	132.8	77%	0.774	66%	0.663	S	S	*	*				165.4	21.4	117.3	-128.9	177.8	-171.7	-168.1	1.9	116	S265	R262-S265 PolarHBondContact O-OG 2.67Å
263	E	38	Very low	36.2	Very low	154 Å²	154	126.1 Å²	126.1	72%	0.72	63%	0.627	S	S	*	*	S	Bend	trans	-76.4	-25	-179.3	-74.6	-174.1	153.9	0	0	114.9	S265	E263-S265 VanDerWaalsContact C-N 3.34Å; E263-S265 PolarHBondContact O-N 3.48Å
264	S	33.4	Very low	36.8	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	61%	0.613	S	S	*	*	H	α-helix	trans	-72.8	-20.2	-176.8	65.2	0	0	0	0	114.7	N268	S264-N268 PolarHBondContact O-ND2 2.93Å; S264-N268 VanDerWaalsContact O-ND2 3.14Å
265	S	36.5	Very low	37.6	Very low	44 Å²	44	120.4 Å²	120.4	31%	0.308	60%	0.598	S	S	.	*	H	α-helix	trans	-75.3	-28.6	-175.9	53.9	0	0	0	0	113.5	R262 E263 I269	R262-S265 PolarHBondContact O-OG 2.67Å; E263-S265 VanDerWaalsContact C-N 3.34Å; E263-S265 PolarHBondContact O-N 3.48Å; S265-I269 WeakPolarHBondContact O-CG1 3.45Å; S265-I269 PolarHBondContact O-N 3.1Å
266	I	36.5	Very low	38.4	Very low	63 Å²	63	116.8 Å²	116.8	32%	0.323	57%	0.572	S	S	.	*	H	α-helix	trans	-82.9	-38.6	-172.1	-58.3	170.2	0	0	0	111.5	L247 N268 I269 K270	L247-I266 HydrophobicContact CD1-CB 4.4Å; L247-I266 HydrophobicContact CD1-CD1 4.01Å; L247-I266 HydrophobicContact CD1-CG2 3.8Å; I266-N268 PolarHBondContact O-N 3.27Å; I266-I269 PolarHBondContact O-N 3.06Å; I266-I269 VanDerWaalsContact O-N 3.16Å; I266-K270 PolarHBondContact O-N 3.36Å; I266-K270 VanDerWaalsContact O-N 3.15Å
267	W	31.9	Very low	39.6	Very low	169 Å²	169	112.4 Å²	112.4	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-61.4	-35.7	173.1	-65.4	103.6	0	0	0	112.2	K270 K271	W267-K270 PolarHBondContact O-N 3.48Å; W267-K271 PolarHBondContact O-N 2.82Å; W267-K271 VanDerWaalsContact O-N 3.13Å
268	N	31.8	Very low	41.1	Very low	95 Å²	95	103.8 Å²	103.8	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-39	174.8	-72.9	-22.3	0	0	0	112	S264 I266 K270 K271 L272	S264-N268 PolarHBondContact O-ND2 2.93Å; S264-N268 VanDerWaalsContact O-ND2 3.14Å; I266-N268 PolarHBondContact O-N 3.27Å; N268-K270 PolarHBondContact O-N 3.21Å; N268-K271 PolarHBondContact O-N 2.98Å; N268-L272 WeakPolarHBondContact O-CB 3.46Å; N268-L272 WeakPolarHBondContact O-CD1 3.14Å; N268-L272 WeakPolarHBondContact O-CG 3.28Å; N268-L272 PolarHBondContact O-N 3.35Å
269	I	42.3	Very low	43.4	Very low	76 Å²	76	104.3 Å²	104.3	39%	0.39	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-45.1	176.4	-68.3	164.3	0	0	0	110.6	S265 I266 K271 L272 E273	S265-I269 WeakPolarHBondContact O-CG1 3.45Å; S265-I269 PolarHBondContact O-N 3.1Å; I266-I269 PolarHBondContact O-N 3.06Å; I266-I269 VanDerWaalsContact O-N 3.16Å; I269-K271 PolarHBondContact O-N 3.01Å; I269-L272 PolarHBondContact O-N 2.86Å; I269-E273 HydrophobicContact CG2-CG 4.38Å; I269-E273 WeakPolarHBondContact O-CG 2.9Å; I269-E273 PolarHBondContact O-N 3.46Å
270	K	41.5	Very low	45.8	Very low	60 Å²	60	98.2 Å²	98.2	26%	0.261	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-40.7	180	-165.2	175.3	-175.7	173.4	0	112.8	I266 W267 N268 L272 E274	I266-K270 PolarHBondContact O-N 3.36Å; I266-K270 VanDerWaalsContact O-N 3.15Å; W267-K270 PolarHBondContact O-N 3.48Å; N268-K270 PolarHBondContact O-N 3.21Å; K270-L272 VanDerWaalsContact C-N 3.35Å; K270-E274 WeakPolarHBondContact CE-OE1 3.35Å; K270-E274 PolarHBondContact O-N 3.16Å; K270-E274 VanDerWaalsContact O-N 3.08Å
271	K	39.7	Very low	48.6	Very low	129 Å²	129	95.1 Å²	95.1	56%	0.561	44%	0.441	S	S	*	.	H	α-helix	trans	-66.1	-39.2	176.5	-167.6	175.6	178.7	-177.4	0	111.5	W267 N268 I269 E275	W267-K271 PolarHBondContact O-N 2.82Å; W267-K271 VanDerWaalsContact O-N 3.13Å; N268-K271 PolarHBondContact O-N 2.98Å; I269-K271 PolarHBondContact O-N 3.01Å; K271-E275 WeakPolarHBondContact CE-OE1 3.39Å; K271-E275 VanDerWaalsContact O-CB 3.31Å; K271-E275 WeakPolarHBondContact O-CB 3.48Å; K271-E275 VanDerWaalsContact O-CG 3.3Å; K271-E275 WeakPolarHBondContact O-CG 3.2Å; K271-E275 PolarHBondContact O-N 3.22Å; K271-E275 VanDerWaalsContact O-N 3.12Å
272	L	44.6	Very low	51.3	Low	90 Å²	90	85 Å²	85	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-41.8	177	-70.4	164.9	0	0	0	111.9	N268 I269 K270 E275 E276	N268-L272 WeakPolarHBondContact O-CB 3.46Å; N268-L272 WeakPolarHBondContact O-CD1 3.14Å; N268-L272 WeakPolarHBondContact O-CG 3.28Å; N268-L272 PolarHBondContact O-N 3.35Å; I269-L272 PolarHBondContact O-N 2.86Å; K270-L272 VanDerWaalsContact C-N 3.35Å; L272-E275 PolarHBondContact O-N 2.88Å; L272-E276 VanDerWaalsContact O-CB 3.29Å; L272-E276 WeakPolarHBondContact O-CB 3.38Å; L272-E276 VanDerWaalsContact O-CG 3.29Å; L272-E276 WeakPolarHBondContact O-CG 3.43Å; L272-E276 PolarHBondContact O-N 3.12Å
273	E	46.5	Very low	53.9	Low	32 Å²	32	75.5 Å²	75.5	15%	0.15	37%	0.368	C	S	.	.	H	α-helix	trans	-71.8	-37.7	-179.6	-72.2	175.4	170.6	0	0	113.2	N237 S240 I241 I269 E275 E276 S277	N237-E273 PolarHBondContact ND2-OE1 2.03Å; S240-E273 PolarHBondContact OG-OE1 2.77Å; I241-E273 WeakPolarHBondContact CG1-OE2 3.36Å; I269-E273 HydrophobicContact CG2-CG 4.38Å; I269-E273 WeakPolarHBondContact O-CG 2.9Å; I269-E273 PolarHBondContact O-N 3.46Å; E273-E275 VanDerWaalsContact C-N 3.34Å; E273-E276 PolarHBondContact O-N 2.91Å; E273-S277 PolarHBondContact O-N 3.15Å; E273-S277 PolarHBondContact O-OG 2.88Å
274	E	49	Very low	56.1	Low	105 Å²	105	68.9 Å²	68.9	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-68.9	-31.8	174.3	-76.1	-178.9	-170.1	0	0	112.1	R154 K270	R154-E274 PolarHBondContact NH2-O 2.89Å; K270-E274 WeakPolarHBondContact CE-OE1 3.35Å; K270-E274 PolarHBondContact O-N 3.16Å; K270-E274 VanDerWaalsContact O-N 3.08Å
275	E	47.4	Very low	58.7	Low	125 Å²	125	67.8 Å²	67.8	58%	0.584	32%	0.323	S	S	*	.	H	α-helix	trans	-81	-21.4	176.1	-75.9	178.2	-175.8	0	0	113.7	K271 L272 E273	K271-E275 WeakPolarHBondContact CE-OE1 3.39Å; K271-E275 VanDerWaalsContact O-CB 3.31Å; K271-E275 WeakPolarHBondContact O-CB 3.48Å; K271-E275 VanDerWaalsContact O-CG 3.3Å; K271-E275 WeakPolarHBondContact O-CG 3.2Å; K271-E275 PolarHBondContact O-N 3.22Å; K271-E275 VanDerWaalsContact O-N 3.12Å; L272-E275 PolarHBondContact O-N 2.88Å; E273-E275 VanDerWaalsContact C-N 3.34Å
276	E	54.1	Low	61.2	Low	53 Å²	53	65.7 Å²	65.7	25%	0.248	31%	0.308	C	S	.	.	H	α-helix	trans	-95.2	-26.9	-177.7	-77.9	-172.5	165	0	0	114.4	S226 K228 I232 L272 E273	S226-E276 WeakPolarHBondContact CA-O 3.36Å; S226-E276 WeakPolarHBondContact CB-O 3.34Å; S226-E276 PolarHBondContact OG-O 2.04Å; S226-E276 VanDerWaalsContact OG-O 3.1Å; K228-E276 HydrophobicContact CD-CG 4.43Å; I232-E276 WeakPolarHBondContact CD1-OE2 3.3Å; L272-E276 VanDerWaalsContact O-CB 3.29Å; L272-E276 WeakPolarHBondContact O-CB 3.38Å; L272-E276 VanDerWaalsContact O-CG 3.29Å; L272-E276 WeakPolarHBondContact O-CG 3.43Å; L272-E276 PolarHBondContact O-N 3.12Å; E273-E276 PolarHBondContact O-N 2.91Å
277	S	60	Low	63.7	Low	27 Å²	27	64.8 Å²	64.8	19%	0.189	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-79.9	136.6	178.6	47.6	0	0	0	0	111.8	R154 E273	R154-S277 PolarHBondContact NH1-OG 2.81Å; R154-S277 PolarHBondContact NH2-OG 3.34Å; E273-S277 PolarHBondContact O-N 3.15Å; E273-S277 PolarHBondContact O-OG 2.88Å
278	S	66.6	Low	66.7	Low	10 Å²	10	57.6 Å²	57.6	7%	0.07	28%	0.28	C	S	.	.			trans	-62.9	142.8	-175.5	178.3	0	0	0	0	112	R154 W224 G225 E280 H282	R154-S278 WeakPolarHBondContact CD-O 3.34Å; R154-S278 PolarHBondContact NE-O 2.76Å; W224-S278 PolarHBondContact O-N 3.06Å; G225-S278 PolarHBondContact O-N 3.04Å; G225-S278 VanDerWaalsContact O-N 3.12Å; S278-E280 WeakPolarHBondContact CB-O 3.35Å; S278-E280 PolarHBondContact OG-N 2.87Å; S278-E280 VanDerWaalsContact OG-N 3.15Å; S278-E280 PolarHBondContact OG-O 3.48Å; S278-H282 WeakPolarHBondContact CB-ND1 3.31Å; S278-H282 PolarHBondContact OG-CE1 3.35Å; S278-H282 PolarHBondContact OG-ND1 2.82Å
279	K	81.4	Confident	69.6	Low	137 Å²	137	54.3 Å²	54.3	60%	0.596	26%	0.264	S	S	*	.	S	Bend	trans	-66.9	-45.6	170.8	-53	-165.2	173.3	174.7	0	111	R154 Y155	R154-K279 WeakPolarHBondContact CG-O 3.14Å; R154-K279 PolarHBondContact N-O 3.33Å; Y155-K279 HydrophobicContact CD2-CB 3.99Å; Y155-K279 HydrophobicContact CD2-CD 4.25Å; Y155-K279 HydrophobicContact CD2-CG 3.99Å; Y155-K279 HydrophobicContact CE2-CB 4.15Å; Y155-K279 HydrophobicContact CE2-CD 4.33Å; Y155-K279 HydrophobicContact CE2-CG 3.8Å
280	E	87.3	Confident	72	Confident	80 Å²	80	53.2 Å²	53.2	37%	0.374	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-101.4	152.2	-175	-66.9	167.3	171.3	0	0	110.6	H152 S278 H282	H152-E280 CarbonylContact O-C 3.59Å; H152-E280 WeakPolarHBondContact O-CA 3.07Å; S278-E280 WeakPolarHBondContact CB-O 3.35Å; S278-E280 PolarHBondContact OG-N 2.87Å; S278-E280 VanDerWaalsContact OG-N 3.15Å; S278-E280 PolarHBondContact OG-O 3.48Å; E280-H282 PolarHBondContact O-N 2.9Å; E280-H282 PolarHBondContact O-ND1 3.18Å
281	L	88.2	Confident	74.5	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	26%	0.256	C	S	.	.			trans	-58.3	132.9	171.6	-172.9	67.6	0	0	0	110.1	V81 W86 A89 H152 V222 G223 W224	V81-L281 HydrophobicContact CB-CD2 4.46Å; V81-L281 HydrophobicContact CB-CG 4.46Å; V81-L281 HydrophobicContact CG2-CB 4.35Å; V81-L281 HydrophobicContact CG2-CD2 4.22Å; V81-L281 HydrophobicContact CG2-CG 3.95Å; V81-L281 WeakPolarHBondContact CG2-O 3.36Å; V81-L281 PolarHBondContact N-O 3.02Å; W86-L281 HydrophobicContact CB-CD2 4.26Å; A89-L281 HydrophobicContact CB-CD2 4.28Å; H152-L281 PolarHBondContact O-N 3.09Å; V222-L281 HydrophobicContact CG1-CD1 3.54Å; V222-L281 HydrophobicContact CG1-CD2 3.66Å; V222-L281 HydrophobicContact CG1-CG 3.69Å; G223-L281 WeakPolarHBondContact O-CD1 3.31Å; W224-L281 HydrophobicContact CD2-CD1 3.56Å; W224-L281 VanDerWaalsContact CE2-CD1 3.49Å; W224-L281 HydrophobicContact CE3-CD1 3.62Å; W224-L281 HydrophobicContact CG-CD1 4.3Å; W224-L281 HydrophobicContact CH2-CD1 3.59Å; W224-L281 HydrophobicContact CZ2-CB 4.09Å; W224-L281 HydrophobicContact CZ2-CD1 3.53Å; W224-L281 HydrophobicContact CZ2-CD2 4.34Å; W224-L281 HydrophobicContact CZ2-CG 4.18Å; W224-L281 HydrophobicContact CZ3-CD1 3.63Å
282	H	87.5	Confident	77	Confident	35 Å²	35	50.6 Å²	50.6	16%	0.162	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.3	175.2	-78.5	65.5	0	0	0	111.3	K79 A80 V222 G223 S278 E280	K79-H282 CarbonylContact O-C 3.56Å; K79-H282 VanDerWaalsContact O-CA 3.27Å; K79-H282 WeakPolarHBondContact O-CA 3.08Å; K79-H282 PolarHBondContact O-CD2 2.98Å; A80-H282 PolarHBondContact N-CD2 2.81Å; A80-H282 VanDerWaalsContact N-CD2 3.3Å; A80-H282 PolarHBondContact N-NE2 2.92Å; V222-H282 VanDerWaalsContact CA-O 3.31Å; V222-H282 WeakPolarHBondContact CA-O 3.19Å; G223-H282 PolarHBondContact N-O 2.92Å; G223-H282 PolarHBondContact O-N 3.28Å; S278-H282 WeakPolarHBondContact CB-ND1 3.31Å; S278-H282 PolarHBondContact OG-CE1 3.35Å; S278-H282 PolarHBondContact OG-ND1 2.82Å; E280-H282 PolarHBondContact O-N 2.9Å; E280-H282 PolarHBondContact O-ND1 3.18Å
283	E	87.7	Confident	79.3	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.033	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.4	169.1	69.1	-177.1	167.1	0	0	110.3	R65 G78 K79 V81 W86 Y220 A221 V222	R65-E283 IonicContact CZ-OE2 3.11Å; R65-E283 IonicContact NH1-OE2 2.72Å; R65-E283 PolarHBondContact NH1-OE2 2.97Å; R65-E283 IonicContact NH2-OE1 2.68Å; R65-E283 PolarHBondContact NH2-OE1 3.46Å; R65-E283 IonicContact NH2-OE2 3.43Å; R65-E283 PolarHBondContact NH2-OE2 2.88Å; G78-E283 CarbonylContact C-O 3.49Å; G78-E283 VanDerWaalsContact CA-O 3.25Å; G78-E283 WeakPolarHBondContact CA-O 3.35Å; K79-E283 WeakPolarHBondContact CE-OE1 3.18Å; K79-E283 HydrophobicContact CG-CG 3.97Å; K79-E283 PolarHBondContact N-O 2.8Å; K79-E283 IonicContact NZ-OE1 3.34Å; K79-E283 PolarHBondContact NZ-OE1 2.84Å; K79-E283 PolarHBondContact O-N 2.98Å; V81-E283 HydrophobicContact CG2-CB 3.64Å; V81-E283 HydrophobicContact CG2-CG 3.88Å; V81-E283 VanDerWaalsContact CG2-N 3.27Å; W86-E283 WeakPolarHBondContact CZ2-OE2 3.11Å; W86-E283 PolarHBondContact NE1-OE2 3.26Å; Y220-E283 HydrophobicContact CD1-CB 4.11Å; Y220-E283 HydrophobicContact CD1-CG 4.17Å; Y220-E283 HydrophobicContact CE1-CG 4.37Å; A221-E283 WeakPolarHBondContact O-CA 3.22Å; V222-E283 HydrophobicContact CG2-CB 4.16Å
284	V	85.1	Confident	81.4	Confident	15 Å²	15	48.1 Å²	48.1	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.4	174	61	0	0	0	0	109.8	Y220 A221 L286 K314	Y220-V284 CarbonylContact C-O 3.57Å; Y220-V284 VanDerWaalsContact CA-O 3.25Å; Y220-V284 WeakPolarHBondContact CA-O 3.24Å; A221-V284 HydrophobicContact CB-CG1 4.05Å; A221-V284 PolarHBondContact N-O 3.42Å; A221-V284 PolarHBondContact O-N 2.86Å; V284-L286 HydrophobicContact CB-CD2 4.44Å; V284-L286 HydrophobicContact CG1-CD1 4.4Å; V284-L286 HydrophobicContact CG1-CD2 3.84Å; V284-L286 HydrophobicContact CG1-CG 4.04Å; V284-L286 HydrophobicContact CG2-CD2 3.85Å; V284-L286 PolarHBondContact O-N 3.2Å; V284-K314 HydrophobicContact CG2-CB 4.47Å
285	E	87.4	Confident	83.5	Confident	68 Å²	68	47.9 Å²	47.9	32%	0.318	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.5	172.7	-169.8	-178.7	131.9	0	0	109.9	C219 Y220	C219-E285 CarbonylContact O-C 3.58Å; C219-E285 WeakPolarHBondContact O-CA 3.36Å; Y220-E285 HydrophobicContact CD1-CB 4.23Å; Y220-E285 HydrophobicContact CD2-CG 4.33Å; Y220-E285 HydrophobicContact CE1-CB 3.76Å; Y220-E285 HydrophobicContact CE1-CG 4.41Å; Y220-E285 HydrophobicContact CE2-CB 4.02Å; Y220-E285 HydrophobicContact CE2-CG 3.75Å; Y220-E285 PolarHBondContact OH-OE2 3.03Å
286	L	88.1	Confident	85.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.244	C	C	.	.			trans	-116.6	123.3	-177.5	-58.9	-176.9	0	0	0	110.4	C219 A221 V284 A309 K314 T316 L325 Y356	C219-L286 PolarHBondContact O-N 3.11Å; A221-L286 HydrophobicContact CB-CD1 3.58Å; A221-L286 HydrophobicContact CB-CG 4.32Å; V284-L286 HydrophobicContact CB-CD2 4.44Å; V284-L286 HydrophobicContact CG1-CD1 4.4Å; V284-L286 HydrophobicContact CG1-CD2 3.84Å; V284-L286 HydrophobicContact CG1-CG 4.04Å; V284-L286 HydrophobicContact CG2-CD2 3.85Å; V284-L286 PolarHBondContact O-N 3.2Å; L286-A309 HydrophobicContact CB-CB 3.95Å; L286-A309 HydrophobicContact CD1-CB 4.31Å; L286-K314 VanDerWaalsContact CD2-C 3.44Å; L286-K314 HydrophobicContact CD2-CB 3.99Å; L286-K314 WeakPolarHBondContact CD2-O 3.49Å; L286-T316 HydrophobicContact CD1-CG2 4.3Å; L286-L325 HydrophobicContact CD1-CD1 4.25Å; L286-Y356 WeakPolarHBondContact CD1-OH 3.08Å
287	P	90.6	Very high	87.1	Confident	43 Å²	43	51.8 Å²	51.8	28%	0.279	25%	0.253	S	S	.	.			trans	-69.1	142.2	170.7	29.5	-32.5	0	0	0	109.7	A309 G310 A311	P287-A309 CarbonylContact O-C 3.58Å; P287-A309 VanDerWaalsContact O-CA 3.28Å; P287-A309 WeakPolarHBondContact O-CA 3.19Å; P287-G310 PolarHBondContact O-N 3.19Å; P287-A311 HydrophobicContact CG-CB 3.73Å
288	I	93.9	Very high	88.4	Confident	18 Å²	18	51.4 Å²	51.4	9%	0.092	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.4	171	-61	-59.4	0	0	0	109.2	L213 T214 C219 V307 A309 L325	L213-I288 HydrophobicContact CB-CG1 4.26Å; L213-I288 HydrophobicContact CB-CG2 4.1Å; L213-I288 HydrophobicContact CD1-CD1 4.06Å; L213-I288 HydrophobicContact CD1-CG1 4.42Å; T214-I288 WeakPolarHBondContact O-CB 3.36Å; C219-I288 HydrophobicContact CB-CD1 4.23Å; I288-V307 HydrophobicContact CD1-CG1 4.1Å; I288-A309 HydrophobicContact CD1-CB 4.06Å; I288-L325 HydrophobicContact CD1-CD2 4.09Å
289	V	92.9	Very high	89.4	Confident	26 Å²	26	54.6 Å²	54.6	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.2	179	-176.4	0	0	0	0	108.8	D293 C294 C308 G310 P353	V289-D293 HydrophobicContact CG1-CB 3.82Å; V289-C294 HydrophobicContact CG1-CB 4.25Å; V289-C308 HydrophobicContact CB-CB 4.07Å; V289-C308 PolarHBondContact N-O 3.27Å; V289-G310 WeakPolarHBondContact CG2-O 3.47Å; V289-P353 HydrophobicContact CB-CB 4.38Å; V289-P353 HydrophobicContact CB-CG 4.35Å; V289-P353 HydrophobicContact CG1-CG 4.1Å; V289-P353 HydrophobicContact CG2-CB 4.02Å; V289-P353 HydrophobicContact CG2-CG 3.93Å
290	S	93.8	Very high	89.7	Confident	54 Å²	54	54.1 Å²	54.1	38%	0.378	28%	0.278	S	S	.	.			trans	-58.7	145.4	175.8	83.7	0	0	0	0	110.1	D292 D293 C294	S290-D292 PolarHBondContact O-N 3.01Å; S290-D293 PolarHBondContact O-N 3.01Å; S290-D293 WeakPolarHBondContact OG-CB 3.48Å; S290-D293 PolarHBondContact OG-N 2.73Å; S290-D293 PolarHBondContact OG-OD2 3.42Å; S290-C294 WeakPolarHBondContact O-CB 3.04Å; S290-C294 PolarHBondContact O-N 2.84Å
291	I	92.1	Very high	89.8	Confident	22 Å²	22	50.4 Å²	50.4	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-33.2	179.6	-73.3	-74.8	0	0	0	111.1	C294 R295 I301 H306	I291-C294 PolarHBondContact O-N 3.37Å; I291-R295 HydrophobicContact CG2-CG 4.41Å; I291-R295 WeakPolarHBondContact O-CB 3.42Å; I291-R295 VanDerWaalsContact O-CG 3.27Å; I291-R295 WeakPolarHBondContact O-CG 3.11Å; I291-R295 PolarHBondContact O-N 2.91Å; I291-I301 HydrophobicContact CD1-CD1 4.07Å; I291-I301 HydrophobicContact CG2-CG1 4.34Å; I291-H306 HydrophobicContact CD1-CB 4.16Å
292	D	93	Very high	90.1	Very high	112 Å²	112	51.8 Å²	51.8	60%	0.599	27%	0.27	S	S	*	.	H	α-helix	trans	-68.4	-36.4	177.8	-63.6	-33.2	0	0	0	112.3	S290 R295	S290-D292 PolarHBondContact O-N 3.01Å; D292-R295 IonicContact OD1-NH1 3.71Å; D292-R295 PolarHBondContact OD1-NH1 2.94Å
293	D	92.7	Very high	90.3	Very high	70 Å²	70	54 Å²	54	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-71	-39.1	171.5	-70.2	-47.4	0	0	0	112	V289 S290 R295 K296	V289-D293 HydrophobicContact CG1-CB 3.82Å; S290-D293 PolarHBondContact O-N 3.01Å; S290-D293 WeakPolarHBondContact OG-CB 3.48Å; S290-D293 PolarHBondContact OG-N 2.73Å; S290-D293 PolarHBondContact OG-OD2 3.42Å; D293-R295 VanDerWaalsContact C-N 3.28Å; D293-R295 PolarHBondContact O-N 2.91Å; D293-K296 VanDerWaalsContact O-CB 3.27Å; D293-K296 WeakPolarHBondContact O-CB 3.28Å; D293-K296 WeakPolarHBondContact O-CG 3.34Å; D293-K296 PolarHBondContact O-N 2.94Å; D293-K296 IonicContact OD1-NZ 3.16Å; D293-K296 PolarHBondContact OD1-NZ 3.36Å
294	C	91	Very high	90.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-31	179.3	-166.2	0	0	0	0	112	V289 S290 I291 K296 Y297 Y298 I301 C308	V289-C294 HydrophobicContact CG1-CB 4.25Å; S290-C294 WeakPolarHBondContact O-CB 3.04Å; S290-C294 PolarHBondContact O-N 2.84Å; I291-C294 PolarHBondContact O-N 3.37Å; C294-K296 PolarHBondContact O-N 2.83Å; C294-K296 VanDerWaalsContact O-N 3.17Å; C294-Y297 WeakPolarHBondContact O-CB 3.28Å; C294-Y297 PolarHBondContact O-N 2.9Å; C294-Y298 PolarHBondContact O-N 3.15Å; C294-I301 HydrophobicContact CB-CD1 3.59Å; C294-I301 WeakPolarHBondContact SG-CD1 3.33Å; C294-C308 HydrophobicContact CB-CB 3.53Å; C294-C308 WeakPolarHBondContact CB-SG 3.46Å; C294-C308 WeakPolarHBondContact SG-CB 3.18Å; C294-C308 CovalentContact SG-SG 2.04Å; C294-C308 PolarHBondContact SG-SG 2.86Å
295	R	92.3	Very high	91	Very high	100 Å²	100	61.7 Å²	61.7	38%	0.377	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.2	174.4	-83.1	170.8	173.7	164.5	-7.8	114.8	I291 D292 D293 Y297 Y298 I301	I291-R295 HydrophobicContact CG2-CG 4.41Å; I291-R295 WeakPolarHBondContact O-CB 3.42Å; I291-R295 VanDerWaalsContact O-CG 3.27Å; I291-R295 WeakPolarHBondContact O-CG 3.11Å; I291-R295 PolarHBondContact O-N 2.91Å; D292-R295 IonicContact OD1-NH1 3.71Å; D292-R295 PolarHBondContact OD1-NH1 2.94Å; D293-R295 VanDerWaalsContact C-N 3.28Å; D293-R295 PolarHBondContact O-N 2.91Å; R295-Y297 PolarHBondContact O-N 3.47Å; R295-Y298 WeakPolarHBondContact CA-O 3.41Å; R295-Y298 CarbonylContact O-C 3.53Å; R295-I301 HydrophobicContact CG-CD1 4.24Å; R295-I301 HydrophobicContact CG-CG1 3.65Å; R295-I301 PolarHBondContact NE-O 3.31Å; R295-I301 PolarHBondContact NH2-O 3.29Å
296	K	91.2	Very high	91.3	Very high	152 Å²	152	58.7 Å²	58.7	66%	0.661	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.5	170.5	-60.5	169.5	-179.3	163.9	0	111.9	D293 C294	D293-K296 VanDerWaalsContact O-CB 3.27Å; D293-K296 WeakPolarHBondContact O-CB 3.28Å; D293-K296 WeakPolarHBondContact O-CG 3.34Å; D293-K296 PolarHBondContact O-N 2.94Å; D293-K296 IonicContact OD1-NZ 3.16Å; D293-K296 PolarHBondContact OD1-NZ 3.36Å; C294-K296 PolarHBondContact O-N 2.83Å; C294-K296 VanDerWaalsContact O-N 3.17Å
297	Y	86.4	Confident	91.6	Very high	107 Å²	107	59.4 Å²	59.4	42%	0.42	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-35.2	179.2	-56.5	-81.6	0	0	0	112.5	C294 R295 L345 N352 P353	C294-Y297 WeakPolarHBondContact O-CB 3.28Å; C294-Y297 PolarHBondContact O-N 2.9Å; R295-Y297 PolarHBondContact O-N 3.47Å; Y297-L345 HydrophobicContact CD1-CD1 4Å; Y297-L345 HydrophobicContact CG-CD1 4.43Å; Y297-N352 HydrophobicContact CD1-CB 3.94Å; Y297-N352 WeakPolarHBondContact CD1-OD1 3.27Å; Y297-N352 HydrophobicContact CE1-CB 4.22Å; Y297-N352 WeakPolarHBondContact CE1-OD1 3.29Å; Y297-N352 HydrophobicContact CG-CB 4.31Å; Y297-P353 HydrophobicContact CD2-CG 4.37Å; Y297-P353 HydrophobicContact CE2-CG 4.34Å
298	Y	87.5	Confident	91.8	Very high	20 Å²	20	57.4 Å²	57.4	8%	0.078	30%	0.301	C	S	.	.			trans	-130.9	93.7	-177.6	-46.7	-86.1	0	0	0	110.4	C294 R295 D300 I301 F343 G344 L345 P353 V355	C294-Y298 PolarHBondContact O-N 3.15Å; R295-Y298 WeakPolarHBondContact CA-O 3.41Å; R295-Y298 CarbonylContact O-C 3.53Å; Y298-D300 VanDerWaalsContact C-N 3.26Å; Y298-D300 PolarHBondContact O-N 3.38Å; Y298-I301 HydrophobicContact CG-CG2 4.45Å; Y298-I301 WeakPolarHBondContact O-CG1 3.43Å; Y298-I301 PolarHBondContact O-N 3.2Å; Y298-F343 HydrophobicContact CD1-CD2 4.25Å; Y298-F343 AromaticContact CD1-CE2 3.87Å; Y298-F343 HydrophobicContact CD1-CE2 3.87Å; Y298-F343 HydrophobicContact CE1-CD2 4.27Å; Y298-F343 HydrophobicContact CE1-CE2 4.3Å; Y298-F343 HydrophobicContact CG-CE2 4.33Å; Y298-G344 VanDerWaalsContact OH-CA 3.3Å; Y298-G344 WeakPolarHBondContact OH-CA 3.36Å; Y298-L345 HydrophobicContact CD1-CD2 4.18Å; Y298-L345 HydrophobicContact CD1-CG 4.34Å; Y298-L345 HydrophobicContact CE1-CB 4.32Å; Y298-L345 HydrophobicContact CE1-CD2 3.76Å; Y298-L345 HydrophobicContact CE1-CG 3.54Å; Y298-L345 PolarHBondContact OH-N 3.37Å; Y298-P353 VanDerWaalsContact CE2-O 3.25Å; Y298-P353 WeakPolarHBondContact CE2-O 3.41Å; Y298-P353 PolarHBondContact OH-O 3Å; Y298-V355 HydrophobicContact CD1-CG2 4.22Å; Y298-V355 HydrophobicContact CD2-CG2 3.51Å; Y298-V355 HydrophobicContact CE1-CG2 4.18Å; Y298-V355 HydrophobicContact CE2-CG2 3.49Å; Y298-V355 VanDerWaalsContact CE2-CG2 3.49Å; Y298-V355 HydrophobicContact CG-CG2 3.89Å
299	A	88.3	Confident	91.6	Very high	76 Å²	76	56.5 Å²	56.5	63%	0.628	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.1	-171.1	0	0	0	0	0	113.9	I301	A299-I301 PolarHBondContact O-N 3.11Å
300	D	87.2	Confident	91.3	Very high	127 Å²	127	55.4 Å²	55.4	68%	0.679	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	8.5	-167.3	-57.7	-45.8	0	0	0	114.9	Y298	Y298-D300 VanDerWaalsContact C-N 3.26Å; Y298-D300 PolarHBondContact O-N 3.38Å
301	I	90.1	Very high	90.6	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	29%	0.287	C	S	.	.			trans	-79.7	159.4	-180	69.9	177.9	0	0	0	112.6	I291 C294 R295 Y298 A299 C308 F343 V355	I291-I301 HydrophobicContact CD1-CD1 4.07Å; I291-I301 HydrophobicContact CG2-CG1 4.34Å; C294-I301 HydrophobicContact CB-CD1 3.59Å; C294-I301 WeakPolarHBondContact SG-CD1 3.33Å; R295-I301 HydrophobicContact CG-CD1 4.24Å; R295-I301 HydrophobicContact CG-CG1 3.65Å; R295-I301 PolarHBondContact NE-O 3.31Å; R295-I301 PolarHBondContact NH2-O 3.29Å; Y298-I301 HydrophobicContact CG-CG2 4.45Å; Y298-I301 WeakPolarHBondContact O-CG1 3.43Å; Y298-I301 PolarHBondContact O-N 3.2Å; A299-I301 PolarHBondContact O-N 3.11Å; I301-C308 VanDerWaalsContact CD1-SG 3.53Å; I301-F343 HydrophobicContact CG2-CE2 4.24Å; I301-F343 HydrophobicContact CG2-CZ 3.82Å; I301-V355 HydrophobicContact CG2-CG1 4.37Å
302	S	92.6	Very high	89.7	Confident	32 Å²	32	61.3 Å²	61.3	22%	0.224	32%	0.315	C	S	.	.			trans	-141.8	134.7	-176.2	177.9	0	0	0	0	111.7	K304 V305 H306	S302-K304 PolarHBondContact O-N 3.37Å; S302-K304 VanDerWaalsContact O-N 3.11Å; S302-K304 PolarHBondContact OG-N 3.44Å; S302-V305 PolarHBondContact O-N 2.73Å; S302-H306 PolarHBondContact N-ND1 3.26Å; S302-H306 VanDerWaalsContact N-ND1 3.15Å; S302-H306 WeakPolarHBondContact O-CB 3.24Å; S302-H306 PolarHBondContact O-N 2.9Å; S302-H306 PolarHBondContact O-ND1 3.02Å; S302-H306 VanDerWaalsContact O-ND1 3.09Å
303	S	92.4	Very high	88.6	Confident	81 Å²	81	61 Å²	61	57%	0.566	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.8	173.4	56.2	0	0	0	0	113.6	V305	S303-V305 VanDerWaalsContact C-N 3.28Å; S303-V305 PolarHBondContact O-N 3.2Å
304	K	92.6	Very high	87.3	Confident	165 Å²	165	59.4 Å²	59.4	72%	0.717	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25	176.7	-64.8	-176.7	179.1	178.7	0	113.1	S302 S361	S302-K304 PolarHBondContact O-N 3.37Å; S302-K304 VanDerWaalsContact O-N 3.11Å; S302-K304 PolarHBondContact OG-N 3.44Å; K304-S361 WeakPolarHBondContact O-CB 3.32Å; K304-S361 PolarHBondContact O-OG 3.09Å
305	V	94.5	Very high	85.9	Confident	20 Å²	20	60.8 Å²	60.8	12%	0.121	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-8.8	-171	-71.6	0	0	0	0	113.8	Y184 S302 S303 S358	Y184-V305 HydrophobicContact CE1-CG1 4.43Å; S302-V305 PolarHBondContact O-N 2.73Å; S303-V305 VanDerWaalsContact C-N 3.28Å; S303-V305 PolarHBondContact O-N 3.2Å; V305-S358 VanDerWaalsContact O-CB 3.27Å; V305-S358 WeakPolarHBondContact O-CB 2.92Å; V305-S358 PolarHBondContact O-N 3.38Å
306	H	94.9	Very high	84.5	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.019	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.2	178.2	-54.7	92.8	0	0	0	112.6	T181 G183 I291 S302 F343 V355 Y356	T181-H306 PolarHBondContact O-CE1 2.94Å; T181-H306 PolarHBondContact O-NE2 2.97Å; G183-H306 WeakPolarHBondContact CA-NE2 3.41Å; G183-H306 PolarHBondContact N-NE2 3Å; I291-H306 HydrophobicContact CD1-CB 4.16Å; S302-H306 PolarHBondContact N-ND1 3.26Å; S302-H306 VanDerWaalsContact N-ND1 3.15Å; S302-H306 WeakPolarHBondContact O-CB 3.24Å; S302-H306 PolarHBondContact O-N 2.9Å; S302-H306 PolarHBondContact O-ND1 3.02Å; S302-H306 VanDerWaalsContact O-ND1 3.09Å; H306-F343 AromaticContact CD2-CE1 3.96Å; H306-F343 AromaticContact NE2-CE1 3.85Å; H306-V355 HydrophobicContact CB-CG1 4.04Å; H306-Y356 VanDerWaalsContact CA-O 3.31Å; H306-Y356 WeakPolarHBondContact CA-O 3.38Å
307	V	94.6	Very high	83.3	Confident	16 Å²	16	49.4 Å²	49.4	10%	0.097	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.7	161.5	176.5	0	0	0	0	107.3	L213 I288 L325 Y356	L213-V307 HydrophobicContact CD1-CG1 3.97Å; L213-V307 HydrophobicContact CD1-CG2 4.33Å; I288-V307 HydrophobicContact CD1-CG1 4.1Å; V307-L325 HydrophobicContact CG1-CD2 4.01Å; V307-Y356 PolarHBondContact N-O 3.25Å; V307-Y356 PolarHBondContact O-N 3.05Å
308	C	93	Very high	81.9	Confident	1 Å²	1	45 Å²	45	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.9	170.9	-68.7	0	0	0	0	110.1	V289 C294 I301 P353 G354	V289-C308 HydrophobicContact CB-CB 4.07Å; V289-C308 PolarHBondContact N-O 3.27Å; C294-C308 HydrophobicContact CB-CB 3.53Å; C294-C308 WeakPolarHBondContact CB-SG 3.46Å; C294-C308 WeakPolarHBondContact SG-CB 3.18Å; C294-C308 CovalentContact SG-SG 2.04Å; C294-C308 PolarHBondContact SG-SG 2.86Å; I301-C308 VanDerWaalsContact CD1-SG 3.53Å; C308-P353 HydrophobicContact CB-CB 4.47Å; C308-G354 WeakPolarHBondContact CA-O 3.47Å
309	A	91.5	Very high	80.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.1	175.5	0	0	0	0	0	110.2	L286 P287 I288 L325 G354 Y356	L286-A309 HydrophobicContact CB-CB 3.95Å; L286-A309 HydrophobicContact CD1-CB 4.31Å; P287-A309 CarbonylContact O-C 3.58Å; P287-A309 VanDerWaalsContact O-CA 3.28Å; P287-A309 WeakPolarHBondContact O-CA 3.19Å; I288-A309 HydrophobicContact CD1-CB 4.06Å; A309-L325 HydrophobicContact CB-CD1 4.1Å; A309-L325 HydrophobicContact CB-CD2 3.75Å; A309-G354 PolarHBondContact N-O 2.93Å; A309-G354 PolarHBondContact O-N 3.25Å; A309-Y356 HydrophobicContact CB-CD2 4.31Å; A309-Y356 HydrophobicContact CB-CE2 3.78Å
310	G	86.2	Confident	80	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.031	24%	0.235	C	C	.	.			trans	132.4	163.8	177.2	0	0	0	0	0	113.1	P287 V289 K314	P287-G310 PolarHBondContact O-N 3.19Å; V289-G310 WeakPolarHBondContact CG2-O 3.47Å; G310-K314 VanDerWaalsContact CA-O 3.27Å; G310-K314 WeakPolarHBondContact CA-O 3.37Å
311	A	77.9	Confident	79.9	Confident	37 Å²	37	36.6 Å²	36.6	31%	0.306	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-146.6	174.4	175.8	0	0	0	0	0	108.8	P287 N313 K314	P287-A311 HydrophobicContact CG-CB 3.73Å; A311-N313 PolarHBondContact O-N 3.4Å; A311-K314 HydrophobicContact CB-CB 4.32Å; A311-K314 PolarHBondContact N-O 3.43Å; A311-K314 CarbonylContact O-C 3.53Å; A311-K314 PolarHBondContact O-N 3.12Å
312	K	74.2	Confident	80	Confident	162 Å²	162	36.5 Å²	36.5	70%	0.704	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	128.7	172.4	-169.7	178.2	-179.5	-178.5	0	109.9	K314 G350	K312-K314 PolarHBondContact O-N 3.35Å; K312-G350 CarbonylContact C-O 3.53Å; K312-G350 WeakPolarHBondContact CA-O 3.36Å
313	N	69.6	Low	80.1	Confident	105 Å²	105	35.1 Å²	35.1	56%	0.561	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	14.1	-174.7	-49.9	-30.7	0	0	0	115.6	A311 G350	A311-N313 PolarHBondContact O-N 3.4Å; N313-G350 PolarHBondContact N-O 3.47Å
314	K	66.4	Low	80.2	Confident	38 Å²	38	31.3 Å²	31.3	17%	0.165	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-136.8	97.7	178.8	-69.9	-176.1	166	-155.1	0	109.5	V284 L286 G310 A311 K312	V284-K314 HydrophobicContact CG2-CB 4.47Å; L286-K314 VanDerWaalsContact CD2-C 3.44Å; L286-K314 HydrophobicContact CD2-CB 3.99Å; L286-K314 WeakPolarHBondContact CD2-O 3.49Å; G310-K314 VanDerWaalsContact CA-O 3.27Å; G310-K314 WeakPolarHBondContact CA-O 3.37Å; A311-K314 HydrophobicContact CB-CB 4.32Å; A311-K314 PolarHBondContact N-O 3.43Å; A311-K314 CarbonylContact O-C 3.53Å; A311-K314 PolarHBondContact O-N 3.12Å; K312-K314 PolarHBondContact O-N 3.35Å
315	D	61.1	Low	80.4	Confident	29 Å²	29	23.4 Å²	23.4	16%	0.155	13%	0.133	C	C	.	.			trans	-153.4	162.4	-175.7	-162.2	10.3	0	0	0	110.8	C349 G350	D315-C349 WeakPolarHBondContact OD2-CA 3.27Å; D315-G350 VanDerWaalsContact CB-CA 3.44Å; D315-G350 PolarHBondContact OD2-N 3.13Å
316	T	62.5	Low	80.4	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.012	13%	0.127	C	C	.	.			trans	-78.5	151.5	163.7	40	0	0	0	0	109.7	A221 T234 L286 D320 T341 Y356	A221-T316 HydrophobicContact CB-CG2 3.24Å; T234-T316 WeakPolarHBondContact CG2-O 3.45Å; L286-T316 HydrophobicContact CD1-CG2 4.3Å; T316-D320 HydrophobicContact CG2-CB 4.19Å; T316-T341 HydrophobicContact CG2-CG2 4.47Å; T316-Y356 HydrophobicContact CG2-CE1 4.35Å; T316-Y356 WeakPolarHBondContact CG2-OH 3.38Å; T316-Y356 PolarHBondContact OG1-OH 2.87Å
317	C	66.3	Low	80.5	Confident	10 Å²	10	22.3 Å²	22.3	7%	0.068	13%	0.126	C	C	.	.			trans	-130.3	179.5	179.7	-153.1	0	0	0	0	113.7	S226 T234 G319 D320 C349	S226-C317 VanDerWaalsContact O-CB 3.28Å; S226-C317 WeakPolarHBondContact O-CB 3.31Å; T234-C317 VanDerWaalsContact CG2-CA 3.43Å; C317-G319 PolarHBondContact O-N 2.97Å; C317-D320 PolarHBondContact N-OD2 3.18Å; C317-D320 WeakPolarHBondContact O-CB 3.3Å; C317-D320 PolarHBondContact O-N 3.15Å; C317-C349 WeakPolarHBondContact CA-SG 2.99Å; C317-C349 HydrophobicContact CB-CB 3.54Å; C317-C349 WeakPolarHBondContact CB-SG 3.4Å; C317-C349 WeakPolarHBondContact SG-CB 2.99Å; C317-C349 CovalentContact SG-SG 2.04Å; C317-C349 PolarHBondContact SG-SG 2.57Å
318	A	56.1	Low	80.5	Confident	15 Å²	15	24.7 Å²	24.7	12%	0.124	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	124	-179.7	0	0	0	0	0	110.4	G225 S226 I232	G225-A318 CarbonylContact C-O 3.51Å; G225-A318 WeakPolarHBondContact CA-O 3.24Å; S226-A318 PolarHBondContact N-O 2.95Å; I232-A318 HydrophobicContact CG2-CB 4.1Å
319	G	60.6	Low	80.5	Confident	26 Å²	26	25.5 Å²	25.5	27%	0.268	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.5	-13.4	-175.2	0	0	0	0	0	114.8	C317	C317-G319 PolarHBondContact O-N 2.97Å
320	D	75.1	Confident	80.4	Confident	17 Å²	17	33.4 Å²	33.4	9%	0.091	18%	0.175	C	C	.	.			trans	-90	-2.4	174.1	-55.7	-30.7	0	0	0	112.7	G223 G225 T316 C317 G322 G323 T341	G223-D320 VanDerWaalsContact CA-OD1 3.23Å; G223-D320 WeakPolarHBondContact CA-OD1 3.42Å; G225-D320 WeakPolarHBondContact CA-OD1 3.45Å; G225-D320 PolarHBondContact N-OD1 2.84Å; T316-D320 HydrophobicContact CG2-CB 4.19Å; C317-D320 PolarHBondContact N-OD2 3.18Å; C317-D320 WeakPolarHBondContact O-CB 3.3Å; C317-D320 PolarHBondContact O-N 3.15Å; D320-G322 PolarHBondContact O-N 2.89Å; D320-G323 WeakPolarHBondContact O-CA 3.03Å; D320-G323 PolarHBondContact O-N 3.19Å; D320-T341 HydrophobicContact CB-CG2 4.48Å; D320-T341 VanDerWaalsContact O-CB 3.3Å; D320-T341 WeakPolarHBondContact O-CB 3.11Å; D320-T341 WeakPolarHBondContact O-CG2 3.25Å
321	S	86.5	Confident	80.4	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.028	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	130.8	-179.1	-47.8	0	0	0	0	111.4	C105 G106 T234 G323	C105-S321 CarbonylContact C-O 3.57Å; C105-S321 VanDerWaalsContact CA-O 3.32Å; C105-S321 WeakPolarHBondContact CA-O 3.32Å; C105-S321 WeakPolarHBondContact CB-O 3.48Å; C105-S321 PolarHBondContact SG-O 2.94Å; G106-S321 PolarHBondContact N-O 3.39Å; T234-S321 PolarHBondContact O-OG 2.95Å; S321-G323 PolarHBondContact O-N 3.16Å
322	G	92.2	Very high	81	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-8.7	-175.1	0	0	0	0	0	115.7	G106 T117 D320 T341	G106-G322 CarbonylContact C-O 3.52Å; G106-G322 CarbonylContact O-C 3.46Å; T117-G322 WeakPolarHBondContact CA-O 3.31Å; T117-G322 WeakPolarHBondContact OG1-CA 3.43Å; T117-G322 PolarHBondContact OG1-O 3.48Å; D320-G322 PolarHBondContact O-N 2.89Å; G322-T341 PolarHBondContact N-O 2.85Å
323	G	93.4	Very high	81.8	Confident	3 Å²	3	37.1 Å²	37.1	3%	0.031	20%	0.199	C	C	.	.			trans	-66.5	163.6	169.6	0	0	0	0	0	112.4	D320 S321 T341	D320-G323 WeakPolarHBondContact O-CA 3.03Å; D320-G323 PolarHBondContact O-N 3.19Å; S321-G323 PolarHBondContact O-N 3.16Å; G323-T341 WeakPolarHBondContact O-CB 3.4Å; G323-T341 PolarHBondContact O-N 2.89Å; G323-T341 PolarHBondContact O-OG1 3.36Å
324	G	95.4	Very high	82.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	145.2	-176.7	0	0	0	0	0	114.2	Y326	G324-Y326 WeakPolarHBondContact O-CE2 3.4Å
325	L	95.5	Very high	84.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112	156	179.3	66.6	0	0	0	107.7	C219 L286 I288 V307 A309 V338 G339 Y356	C219-L325 HydrophobicContact CB-CD1 4.1Å; L286-L325 HydrophobicContact CD1-CD1 4.25Å; I288-L325 HydrophobicContact CD1-CD2 4.09Å; V307-L325 HydrophobicContact CG1-CD2 4.01Å; A309-L325 HydrophobicContact CB-CD1 4.1Å; A309-L325 HydrophobicContact CB-CD2 3.75Å; L325-V338 HydrophobicContact CB-CG2 4.33Å; L325-V338 HydrophobicContact CD2-CG2 3.87Å; L325-V338 HydrophobicContact CG-CG2 3.88Å; L325-V338 WeakPolarHBondContact O-CG2 3.23Å; L325-V338 PolarHBondContact O-N 3.3Å; L325-G339 PolarHBondContact N-O 3.1Å; L325-G339 PolarHBondContact O-N 3.42Å; L325-Y356 HydrophobicContact CB-CD1 3.68Å; L325-Y356 HydrophobicContact CB-CE1 3.81Å; L325-Y356 HydrophobicContact CB-CG 4.27Å; L325-Y356 HydrophobicContact CD1-CE1 4.49Å; L325-Y356 HydrophobicContact CD2-CD1 4.28Å; L325-Y356 HydrophobicContact CD2-CD2 4.06Å; L325-Y356 HydrophobicContact CD2-CE1 4.49Å; L325-Y356 HydrophobicContact CD2-CE2 4.3Å; L325-Y356 HydrophobicContact CD2-CG 4.09Å; L325-Y356 HydrophobicContact CG-CE1 4.49Å
326	Y	96.4	Very high	86.1	Confident	1 Å²	1	33 Å²	33	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.3	-176.6	-51.2	-70.6	0	0	0	110.5	W86 W88 T108 A204 C219 Y220 V222 G324 H336 I337	W86-Y326 AromaticContact CE3-CD2 3.82Å; W86-Y326 HydrophobicContact CE3-CD2 3.82Å; W86-Y326 HydrophobicContact CE3-CE2 4.24Å; W86-Y326 HydrophobicContact CE3-CG 4.25Å; W86-Y326 HydrophobicContact CH2-CD2 4.08Å; W86-Y326 HydrophobicContact CH2-CG 4.33Å; W86-Y326 AromaticContact CZ3-CD2 3.48Å; W86-Y326 HydrophobicContact CZ3-CD2 3.48Å; W86-Y326 VanDerWaalsContact CZ3-CD2 3.48Å; W86-Y326 HydrophobicContact CZ3-CE2 4.34Å; W86-Y326 AromaticContact CZ3-CG 3.62Å; W86-Y326 HydrophobicContact CZ3-CG 3.62Å; W88-Y326 AromaticContact CD1-CD1 3.87Å; W88-Y326 AromaticContact CD1-CE1 3.28Å; W88-Y326 AromaticContact CD1-CZ 3.38Å; W88-Y326 HydrophobicContact CG-CE1 4.44Å; W88-Y326 AromaticContact NE1-CD1 3.37Å; W88-Y326 AromaticContact NE1-CD2 3.92Å; W88-Y326 AromaticContact NE1-CE1 3.3Å; W88-Y326 VanDerWaalsContact NE1-CE1 3.3Å; W88-Y326 AromaticContact NE1-CE2 3.83Å; W88-Y326 AromaticContact NE1-CG 3.69Å; W88-Y326 AromaticContact NE1-CZ 3.54Å; T108-Y326 HydrophobicContact CG2-CE1 3.69Å; T108-Y326 PolarHBondContact OG1-OH 2.78Å; A204-Y326 HydrophobicContact CB-CD1 4.4Å; A204-Y326 HydrophobicContact CB-CE1 4.15Å; C219-Y326 CarbonylContact C-O 3.55Å; C219-Y326 WeakPolarHBondContact CA-O 3.22Å; Y220-Y326 PolarHBondContact N-O 3.29Å; Y220-Y326 PolarHBondContact O-N 2.89Å; V222-Y326 HydrophobicContact CB-CD2 4.44Å; V222-Y326 HydrophobicContact CB-CE2 4.01Å; V222-Y326 HydrophobicContact CG2-CD2 3.89Å; V222-Y326 HydrophobicContact CG2-CE2 3.95Å; G324-Y326 WeakPolarHBondContact O-CE2 3.4Å; Y326-H336 CarbonylContact C-O 3.55Å; Y326-H336 WeakPolarHBondContact CA-O 3.25Å; Y326-I337 HydrophobicContact CD1-CB 4.01Å; Y326-I337 HydrophobicContact CE1-CB 3.99Å; Y326-I337 HydrophobicContact CE1-CD1 4.24Å; Y326-I337 HydrophobicContact CE1-CG1 4.38Å
327	C	95.9	Very high	87.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.6	172.7	-59.9	0	0	0	0	110.6	L213 K218 C219 L329 H336 V338	L213-C327 HydrophobicContact CD2-CB 4.33Å; K218-C327 WeakPolarHBondContact O-CA 3.34Å; C219-C327 HydrophobicContact CB-CB 4.12Å; C219-C327 WeakPolarHBondContact CB-SG 3.23Å; C219-C327 WeakPolarHBondContact SG-CB 3.28Å; C219-C327 CovalentContact SG-SG 2.03Å; C219-C327 PolarHBondContact SG-SG 3.47Å; C327-L329 HydrophobicContact CB-CD2 4.2Å; C327-H336 PolarHBondContact N-O 2.91Å; C327-H336 PolarHBondContact O-N 3.41Å; C327-V338 HydrophobicContact CB-CG1 3.78Å; C327-V338 HydrophobicContact CB-CG2 4.3Å; C327-V338 WeakPolarHBondContact SG-CG2 3.35Å
328	Y	94.4	Very high	89.2	Confident	66 Å²	66	32.4 Å²	32.4	26%	0.259	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.1	168.3	-170.4	-96.5	0	0	0	109	K218 N333 W335	K218-Y328 PolarHBondContact O-N 2.76Å; Y328-N333 VanDerWaalsContact OH-CA 3.31Å; Y328-N333 WeakPolarHBondContact OH-CA 3.47Å; Y328-N333 WeakPolarHBondContact OH-CB 3.27Å; Y328-N333 PolarHBondContact OH-OD1 2.96Å; Y328-W335 HydrophobicContact CD2-CD2 4.21Å; Y328-W335 AromaticContact CD2-CE2 3.9Å; Y328-W335 HydrophobicContact CD2-CG 4.34Å; Y328-W335 HydrophobicContact CD2-CZ2 4.37Å; Y328-W335 AromaticContact CD2-NE1 3.81Å
329	L	92.9	Very high	91.1	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.089	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119	177.2	-51.3	-173.4	0	0	0	109.4	L211 L213 C327 D331 T332 N333 R334 H336	L211-L329 HydrophobicContact CD1-CD1 3.76Å; L211-L329 HydrophobicContact CD1-CD2 3.97Å; L211-L329 HydrophobicContact CD2-CD1 4.33Å; L213-L329 HydrophobicContact CD2-CD2 4.49Å; C327-L329 HydrophobicContact CB-CD2 4.2Å; L329-D331 VanDerWaalsContact C-N 3.26Å; L329-D331 WeakPolarHBondContact CB-OD1 3.33Å; L329-D331 PolarHBondContact O-N 3.24Å; L329-T332 PolarHBondContact O-N 3.46Å; L329-T332 PolarHBondContact O-OG1 3.26Å; L329-N333 WeakPolarHBondContact O-CA 3.34Å; L329-N333 PolarHBondContact O-N 3.35Å; L329-R334 PolarHBondContact N-O 3.21Å; L329-R334 PolarHBondContact O-N 3.46Å; L329-H336 HydrophobicContact CD1-CB 3.89Å; L329-H336 VanDerWaalsContact CD1-CG 3.47Å; L329-H336 HydrophobicContact CG-CB 4.1Å
330	E	88.9	Confident	92.8	Very high	166 Å²	166	30.5 Å²	30.5	78%	0.776	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.4	-176.3	-64	-179.6	173.6	0	0	113	T332 N333	E330-T332 PolarHBondContact O-N 2.87Å; E330-N333 PolarHBondContact O-OD1 3.38Å
331	D	87.2	Confident	93.7	Very high	127 Å²	127	29.8 Å²	29.8	68%	0.679	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.1	178.3	64.4	-17.2	0	0	0	113	L329	L329-D331 VanDerWaalsContact C-N 3.26Å; L329-D331 WeakPolarHBondContact CB-OD1 3.33Å; L329-D331 PolarHBondContact O-N 3.24Å
332	T	90.1	Very high	93.8	Very high	59 Å²	59	29.6 Å²	29.6	36%	0.362	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-15.5	-177.4	49.3	0	0	0	0	112.3	L329 E330 R334 H336	L329-T332 PolarHBondContact O-N 3.46Å; L329-T332 PolarHBondContact O-OG1 3.26Å; E330-T332 PolarHBondContact O-N 2.87Å; T332-R334 VanDerWaalsContact C-N 3.28Å; T332-R334 WeakPolarHBondContact O-CG 3.48Å; T332-R334 PolarHBondContact O-N 3.3Å; T332-H336 PolarHBondContact OG1-CE1 3.11Å
333	N	91.3	Very high	93.4	Very high	94 Å²	94	30.3 Å²	30.3	50%	0.503	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	47.2	-169.2	-69	-37.6	0	0	0	111.8	Y328 L329 E330	Y328-N333 VanDerWaalsContact OH-CA 3.31Å; Y328-N333 WeakPolarHBondContact OH-CA 3.47Å; Y328-N333 WeakPolarHBondContact OH-CB 3.27Å; Y328-N333 PolarHBondContact OH-OD1 2.96Å; L329-N333 WeakPolarHBondContact O-CA 3.34Å; L329-N333 PolarHBondContact O-N 3.35Å; E330-N333 PolarHBondContact O-OD1 3.38Å
334	R	93.5	Very high	92.7	Very high	71 Å²	71	31.1 Å²	31.1	27%	0.268	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.7	-177.3	-63.8	-61.5	-170.7	-88.5	-3.8	112.3	C62 L329 T332 H336	C62-R334 WeakPolarHBondContact O-CD 3.36Å; C62-R334 PolarHBondContact O-NE 2.99Å; L329-R334 PolarHBondContact N-O 3.21Å; L329-R334 PolarHBondContact O-N 3.46Å; T332-R334 VanDerWaalsContact C-N 3.28Å; T332-R334 WeakPolarHBondContact O-CG 3.48Å; T332-R334 PolarHBondContact O-N 3.3Å; R334-H336 PolarHBondContact O-ND1 3.1Å; R334-H336 VanDerWaalsContact O-ND1 3.1Å
335	W	95.8	Very high	91.6	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.5	169.9	-68.8	93.9	0	0	0	112	G63 D68 I71 W86 W88 C205 K218 Y220 Y328	G63-W335 VanDerWaalsContact CA-O 3.31Å; G63-W335 WeakPolarHBondContact CA-O 3.45Å; G63-W335 PolarHBondContact O-N 3.29Å; D68-W335 PolarHBondContact OD1-NE1 2.9Å; D68-W335 VanDerWaalsContact OD1-NE1 3.17Å; D68-W335 PolarHBondContact OD2-NE1 2.98Å; I71-W335 HydrophobicContact CD1-CZ2 3.88Å; W86-W335 HydrophobicContact CH2-CD2 4.05Å; W86-W335 AromaticContact CH2-CE3 3.72Å; W86-W335 HydrophobicContact CH2-CE3 3.72Å; W86-W335 HydrophobicContact CH2-CH2 4.09Å; W86-W335 HydrophobicContact CH2-CZ2 4.39Å; W86-W335 AromaticContact CH2-CZ3 3.75Å; W86-W335 HydrophobicContact CH2-CZ3 3.75Å; W86-W335 HydrophobicContact CZ3-CD2 4.14Å; W86-W335 HydrophobicContact CZ3-CE3 4.03Å; W86-W335 HydrophobicContact CZ3-CG 4.49Å; W88-W335 HydrophobicContact CH2-CB 3.67Å; W88-W335 HydrophobicContact CH2-CG 4.02Å; W88-W335 HydrophobicContact CZ2-CB 3.44Å; W88-W335 VanDerWaalsContact CZ2-CB 3.44Å; W88-W335 AromaticContact CZ2-CG 3.86Å; W88-W335 HydrophobicContact CZ2-CG 3.86Å; C205-W335 WeakPolarHBondContact CB-O 3Å; C205-W335 PolarHBondContact N-O 3.31Å; C205-W335 VanDerWaalsContact N-O 3.12Å; K218-W335 HydrophobicContact CG-CH2 4.44Å; Y220-W335 AromaticContact CD2-CH2 3.5Å; Y220-W335 HydrophobicContact CD2-CH2 3.5Å; Y220-W335 VanDerWaalsContact CD2-CH2 3.5Å; Y220-W335 AromaticContact CD2-CZ3 3.78Å; Y220-W335 HydrophobicContact CD2-CZ3 3.78Å; Y220-W335 AromaticContact CE2-CH2 3.93Å; Y220-W335 HydrophobicContact CE2-CH2 3.93Å; Y220-W335 HydrophobicContact CG-CH2 4.34Å; Y220-W335 HydrophobicContact CG-CZ3 4.46Å; Y328-W335 HydrophobicContact CD2-CD2 4.21Å; Y328-W335 AromaticContact CD2-CE2 3.9Å; Y328-W335 HydrophobicContact CD2-CG 4.34Å; Y328-W335 HydrophobicContact CD2-CZ2 4.37Å; Y328-W335 AromaticContact CD2-NE1 3.81Å
336	H	97.3	Very high	89.8	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.06	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.2	-179.6	-73.6	70.7	0	0	0	111.4	C205 L206 Y326 C327 L329 T332 R334 V338	C205-H336 HydrophobicContact CB-CB 4.46Å; C205-H336 WeakPolarHBondContact CB-CD2 3.44Å; C205-H336 VanDerWaalsContact CB-NE2 3.28Å; C205-H336 WeakPolarHBondContact CB-NE2 3.32Å; C205-H336 CarbonylContact O-C 3.54Å; C205-H336 VanDerWaalsContact O-CA 3.24Å; C205-H336 WeakPolarHBondContact O-CA 3.16Å; L206-H336 PolarHBondContact O-CD2 2.84Å; L206-H336 VanDerWaalsContact O-CD2 3.31Å; Y326-H336 CarbonylContact C-O 3.55Å; Y326-H336 WeakPolarHBondContact CA-O 3.25Å; C327-H336 PolarHBondContact N-O 2.91Å; C327-H336 PolarHBondContact O-N 3.41Å; L329-H336 HydrophobicContact CD1-CB 3.89Å; L329-H336 VanDerWaalsContact CD1-CG 3.47Å; L329-H336 HydrophobicContact CG-CB 4.1Å; T332-H336 PolarHBondContact OG1-CE1 3.11Å; R334-H336 PolarHBondContact O-ND1 3.1Å; R334-H336 VanDerWaalsContact O-ND1 3.1Å; H336-V338 HydrophobicContact CB-CG1 4.27Å; H336-V338 PolarHBondContact O-N 3.23Å
337	I	97.7	Very high	88.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	101.6	168.6	176.6	157.7	0	0	0	110	T108 I110 L116 A204 C205 L206 P207 Y326 V340 T359	T108-I337 HydrophobicContact CG2-CB 4.33Å; T108-I337 HydrophobicContact CG2-CD1 3.79Å; T108-I337 HydrophobicContact CG2-CG2 4.35Å; T108-I337 WeakPolarHBondContact OG1-CD1 3.32Å; I110-I337 HydrophobicContact CG2-CG2 4.16Å; L116-I337 HydrophobicContact CD2-CD1 3.96Å; L116-I337 HydrophobicContact CD2-CG1 4.42Å; L116-I337 HydrophobicContact CD2-CG2 4.48Å; A204-I337 HydrophobicContact CB-CB 4.32Å; A204-I337 HydrophobicContact CB-CG2 4.13Å; C205-I337 WeakPolarHBondContact O-CG2 3.11Å; C205-I337 PolarHBondContact O-N 2.9Å; L206-I337 HydrophobicContact CD2-CG2 4.04Å; P207-I337 VanDerWaalsContact CD-O 3.24Å; P207-I337 WeakPolarHBondContact CD-O 3.47Å; Y326-I337 HydrophobicContact CD1-CB 4.01Å; Y326-I337 HydrophobicContact CE1-CB 3.99Å; Y326-I337 HydrophobicContact CE1-CD1 4.24Å; Y326-I337 HydrophobicContact CE1-CG1 4.38Å; I337-V340 HydrophobicContact CD1-CG2 4.28Å; I337-T359 HydrophobicContact CG2-CG2 4.47Å; I337-T359 WeakPolarHBondContact O-CB 3.41Å; I337-T359 WeakPolarHBondContact O-CG2 3.38Å; I337-T359 PolarHBondContact O-OG1 2.89Å
338	V	97.3	Very high	86.5	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-20.4	-176.2	-54.5	0	0	0	0	112.9	L211 L213 L325 C327 H336 T359	L211-V338 HydrophobicContact CD2-CB 4.16Å; L211-V338 HydrophobicContact CD2-CG1 3.53Å; L213-V338 HydrophobicContact CD1-CB 4.01Å; L213-V338 HydrophobicContact CD1-CG1 4.48Å; L213-V338 HydrophobicContact CD1-CG2 3.82Å; L213-V338 HydrophobicContact CD2-CG1 4.28Å; L325-V338 HydrophobicContact CB-CG2 4.33Å; L325-V338 HydrophobicContact CD2-CG2 3.87Å; L325-V338 HydrophobicContact CG-CG2 3.88Å; L325-V338 WeakPolarHBondContact O-CG2 3.23Å; L325-V338 PolarHBondContact O-N 3.3Å; C327-V338 HydrophobicContact CB-CG1 3.78Å; C327-V338 HydrophobicContact CB-CG2 4.3Å; C327-V338 WeakPolarHBondContact SG-CG2 3.35Å; H336-V338 HydrophobicContact CB-CG1 4.27Å; H336-V338 PolarHBondContact O-N 3.23Å; V338-T359 PolarHBondContact O-N 3.24Å
339	G	96.8	Very high	85.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.9	178.5	0	0	0	0	0	112.9	L325 T357	L325-G339 PolarHBondContact N-O 3.1Å; L325-G339 PolarHBondContact O-N 3.42Å; G339-T357 CarbonylContact C-O 3.49Å; G339-T357 VanDerWaalsContact CA-O 3.22Å; G339-T357 WeakPolarHBondContact CA-O 3.49Å
340	V	96	Very high	84	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.6	174.3	177.7	0	0	0	0	108.7	L116 T117 A118 I186 I337 S342 Y356 T357	L116-V340 HydrophobicContact CD2-CG2 3.78Å; L116-V340 HydrophobicContact CG-CG2 3.97Å; T117-V340 VanDerWaalsContact C-CG1 3.48Å; A118-V340 HydrophobicContact CB-CG1 4Å; I186-V340 HydrophobicContact CD1-CG2 4.33Å; I186-V340 HydrophobicContact CG1-CG2 4.35Å; I337-V340 HydrophobicContact CD1-CG2 4.28Å; V340-S342 PolarHBondContact O-N 2.04Å; V340-Y356 CarbonylContact O-C 3.57Å; V340-Y356 WeakPolarHBondContact O-CA 3.11Å; V340-T357 PolarHBondContact N-O 3.17Å; V340-T357 PolarHBondContact O-N 3.06Å
341	T	92.7	Very high	83.3	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	115.5	-177.2	-55.1	0	0	0	0	110.6	F235 T316 D320 G322 G323 Y356	F235-T341 HydrophobicContact CE1-CG2 3.93Å; F235-T341 HydrophobicContact CZ-CG2 3.64Å; T316-T341 HydrophobicContact CG2-CG2 4.47Å; D320-T341 HydrophobicContact CB-CG2 4.48Å; D320-T341 VanDerWaalsContact O-CB 3.3Å; D320-T341 WeakPolarHBondContact O-CB 3.11Å; D320-T341 WeakPolarHBondContact O-CG2 3.25Å; G322-T341 PolarHBondContact N-O 2.85Å; G323-T341 WeakPolarHBondContact O-CB 3.4Å; G323-T341 PolarHBondContact O-N 2.89Å; G323-T341 PolarHBondContact O-OG1 3.36Å; T341-Y356 HydrophobicContact CG2-CE1 4.32Å; T341-Y356 VanDerWaalsContact OG1-CE1 3.27Å; T341-Y356 WeakPolarHBondContact OG1-CE1 3.19Å
342	S	89.4	Confident	83	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-58.8	-163.5	179.6	0	0	0	0	115.3	H120 D185 F235 V340 V355	H120-S342 PolarHBondContact CE1-O 3.26Å; D185-S342 VanDerWaalsContact CB-OG 3.28Å; D185-S342 WeakPolarHBondContact CB-OG 3.27Å; D185-S342 WeakPolarHBondContact OD2-CB 3.44Å; D185-S342 PolarHBondContact OD2-OG 3.33Å; F235-S342 WeakPolarHBondContact CD1-O 3.42Å; F235-S342 WeakPolarHBondContact CE1-O 3.12Å; F235-S342 WeakPolarHBondContact CG-O 3.43Å; F235-S342 WeakPolarHBondContact CZ-O 3.39Å; V340-S342 PolarHBondContact O-N 2.04Å; S342-V355 PolarHBondContact N-O 2.75Å
343	F	84.2	Confident	82.9	Confident	14 Å²	14	32.1 Å²	32.1	6%	0.061	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	165.6	176.1	66.7	-89.6	0	0	0	113.1	Q180 T181 F235 Y298 I301 H306 V355	Q180-F343 HydrophobicContact CB-CD1 3.89Å; Q180-F343 HydrophobicContact CB-CE1 4.4Å; Q180-F343 HydrophobicContact CB-CG 4.41Å; Q180-F343 WeakPolarHBondContact O-CE1 3.4Å; T181-F343 HydrophobicContact CG2-CE2 4.09Å; T181-F343 HydrophobicContact CG2-CZ 3.87Å; F235-F343 VanDerWaalsContact CD2-C 3.44Å; F235-F343 HydrophobicContact CD2-CB 4.17Å; F235-F343 HydrophobicContact CE2-CB 4.33Å; F235-F343 WeakPolarHBondContact CE2-O 3.15Å; F235-F343 VanDerWaalsContact CZ-CA 3.41Å; Y298-F343 HydrophobicContact CD1-CD2 4.25Å; Y298-F343 AromaticContact CD1-CE2 3.87Å; Y298-F343 HydrophobicContact CD1-CE2 3.87Å; Y298-F343 HydrophobicContact CE1-CD2 4.27Å; Y298-F343 HydrophobicContact CE1-CE2 4.3Å; Y298-F343 HydrophobicContact CG-CE2 4.33Å; I301-F343 HydrophobicContact CG2-CE2 4.24Å; I301-F343 HydrophobicContact CG2-CZ 3.82Å; H306-F343 AromaticContact CD2-CE1 3.96Å; H306-F343 AromaticContact NE2-CE1 3.85Å; F343-V355 HydrophobicContact CD1-CB 4.29Å; F343-V355 HydrophobicContact CD1-CG1 4.31Å; F343-V355 HydrophobicContact CD2-CB 4Å; F343-V355 HydrophobicContact CD2-CG2 4.14Å; F343-V355 HydrophobicContact CE1-CB 4.03Å; F343-V355 HydrophobicContact CE1-CG1 3.64Å; F343-V355 HydrophobicContact CE2-CB 3.72Å; F343-V355 HydrophobicContact CE2-CG1 3.96Å; F343-V355 HydrophobicContact CE2-CG2 3.65Å; F343-V355 HydrophobicContact CG-CB 4.28Å; F343-V355 HydrophobicContact CZ-CB 3.75Å; F343-V355 HydrophobicContact CZ-CG1 3.45Å; F343-V355 VanDerWaalsContact CZ-CG1 3.45Å; F343-V355 HydrophobicContact CZ-CG2 4.03Å; F343-V355 PolarHBondContact N-O 3.27Å; F343-V355 VanDerWaalsContact N-O 3.14Å; F343-V355 WeakPolarHBondContact O-CA 3.48Å; F343-V355 WeakPolarHBondContact O-CB 3.38Å; F343-V355 PolarHBondContact O-N 3.19Å
344	G	78.3	Confident	82.7	Confident	20 Å²	20	27.8 Å²	27.8	21%	0.206	15%	0.145	C	C	.	.			trans	-163.3	165.4	-176.2	0	0	0	0	0	111.6	F235 Y298	F235-G344 VanDerWaalsContact CD2-N 3.28Å; Y298-G344 VanDerWaalsContact OH-CA 3.3Å; Y298-G344 WeakPolarHBondContact OH-CA 3.36Å
345	L	71.8	Confident	82.5	Confident	47 Å²	47	24.5 Å²	24.5	25%	0.246	13%	0.133	C	C	.	.			trans	-68.3	135.5	-178.9	-77.9	-179.7	0	0	0	111.4	Y297 Y298 R347 G348 N352	Y297-L345 HydrophobicContact CD1-CD1 4Å; Y297-L345 HydrophobicContact CG-CD1 4.43Å; Y298-L345 HydrophobicContact CD1-CD2 4.18Å; Y298-L345 HydrophobicContact CD1-CG 4.34Å; Y298-L345 HydrophobicContact CE1-CB 4.32Å; Y298-L345 HydrophobicContact CE1-CD2 3.76Å; Y298-L345 HydrophobicContact CE1-CG 3.54Å; Y298-L345 PolarHBondContact OH-N 3.37Å; L345-R347 PolarHBondContact O-N 3.04Å; L345-G348 PolarHBondContact O-N 3.27Å; L345-N352 HydrophobicContact CD1-CB 3.97Å; L345-N352 VanDerWaalsContact CD1-CG 3.5Å
346	A	58.8	Low	82.5	Confident	61 Å²	61	24.4 Å²	24.4	50%	0.504	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-3.5	177.7	0	0	0	0	0	115.3	P233 G348	P233-A346 HydrophobicContact CB-CB 4.04Å; P233-A346 HydrophobicContact CG-CB 3.58Å; A346-G348 PolarHBondContact O-N 3.47Å
347	R	61.8	Low	82.4	Confident	200 Å²	200	23.8 Å²	23.8	76%	0.755	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-1.9	-179.7	-67.5	-173.7	177.1	169	0.5	113.6	L345 L351	L345-R347 PolarHBondContact O-N 3.04Å; R347-L351 HydrophobicContact CB-CD1 4.42Å; R347-L351 VanDerWaalsContact O-CD1 3.29Å; R347-L351 WeakPolarHBondContact O-CD1 3.31Å
348	G	60.6	Low	82.4	Confident	4 Å²	4	24 Å²	24	4%	0.041	13%	0.131	C	C	.	.			trans	107.5	152.5	177.7	0	0	0	0	0	112.5	G230 L345 A346	G230-G348 WeakPolarHBondContact O-CA 3.29Å; L345-G348 PolarHBondContact O-N 3.27Å; A346-G348 PolarHBondContact O-N 3.47Å
349	C	67.5	Low	82.4	Confident	10 Å²	10	24 Å²	24	7%	0.068	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	145	-179.5	-39.4	0	0	0	0	111.2	D315 C317	D315-C349 WeakPolarHBondContact OD2-CA 3.27Å; C317-C349 WeakPolarHBondContact CA-SG 2.99Å; C317-C349 HydrophobicContact CB-CB 3.54Å; C317-C349 WeakPolarHBondContact CB-SG 3.4Å; C317-C349 WeakPolarHBondContact SG-CB 2.99Å; C317-C349 CovalentContact SG-SG 2.04Å; C317-C349 PolarHBondContact SG-SG 2.57Å
350	G	67.6	Low	82.4	Confident	10 Å²	10	24.7 Å²	24.7	10%	0.103	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-1.2	174.8	0	0	0	0	0	113.9	K312 N313 D315	K312-G350 CarbonylContact C-O 3.53Å; K312-G350 WeakPolarHBondContact CA-O 3.36Å; N313-G350 PolarHBondContact N-O 3.47Å; D315-G350 VanDerWaalsContact CB-CA 3.44Å; D315-G350 PolarHBondContact OD2-N 3.13Å
351	L	74.2	Confident	82.4	Confident	97 Å²	97	26.9 Å²	26.9	51%	0.508	15%	0.151	S	C	.	.	S	Bend	trans	-98.5	-29.7	-179.5	-63.5	-178.1	0	0	0	113	R347	R347-L351 HydrophobicContact CB-CD1 4.42Å; R347-L351 VanDerWaalsContact O-CD1 3.29Å; R347-L351 WeakPolarHBondContact O-CD1 3.31Å
352	N	80.2	Confident	82.6	Confident	20 Å²	20	27 Å²	27	11%	0.107	15%	0.152	C	C	.	.	S	Bend	trans	-141.2	162.1	-173.7	-45.8	-82	0	0	0	108.7	Y297 L345	Y297-N352 HydrophobicContact CD1-CB 3.94Å; Y297-N352 WeakPolarHBondContact CD1-OD1 3.27Å; Y297-N352 HydrophobicContact CE1-CB 4.22Å; Y297-N352 WeakPolarHBondContact CE1-OD1 3.29Å; Y297-N352 HydrophobicContact CG-CB 4.31Å; L345-N352 HydrophobicContact CD1-CB 3.97Å; L345-N352 VanDerWaalsContact CD1-CG 3.5Å
353	P	87.7	Confident	82.8	Confident	9 Å²	9	27.7 Å²	27.7	6%	0.058	16%	0.155	C	C	.	.			trans	-61.5	143.4	172.4	-19.4	32.4	0	0	0	111.3	V289 Y297 Y298 C308	V289-P353 HydrophobicContact CB-CB 4.38Å; V289-P353 HydrophobicContact CB-CG 4.35Å; V289-P353 HydrophobicContact CG1-CG 4.1Å; V289-P353 HydrophobicContact CG2-CB 4.02Å; V289-P353 HydrophobicContact CG2-CG 3.93Å; Y297-P353 HydrophobicContact CD2-CG 4.37Å; Y297-P353 HydrophobicContact CE2-CG 4.34Å; Y298-P353 VanDerWaalsContact CE2-O 3.25Å; Y298-P353 WeakPolarHBondContact CE2-O 3.41Å; Y298-P353 PolarHBondContact OH-O 3Å; C308-P353 HydrophobicContact CB-CB 4.47Å
354	G	87	Confident	83.2	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	151.1	167.1	0	0	0	0	0	111.3	C308 A309 Y356	C308-G354 WeakPolarHBondContact CA-O 3.47Å; A309-G354 PolarHBondContact N-O 2.93Å; A309-G354 PolarHBondContact O-N 3.25Å; G354-Y356 WeakPolarHBondContact O-CE2 3.41Å
355	V	90.9	Very high	84	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.5	175.7	-172.6	0	0	0	0	110.2	Y298 I301 H306 S342 F343	Y298-V355 HydrophobicContact CD1-CG2 4.22Å; Y298-V355 HydrophobicContact CD2-CG2 3.51Å; Y298-V355 HydrophobicContact CE1-CG2 4.18Å; Y298-V355 HydrophobicContact CE2-CG2 3.49Å; Y298-V355 VanDerWaalsContact CE2-CG2 3.49Å; Y298-V355 HydrophobicContact CG-CG2 3.89Å; I301-V355 HydrophobicContact CG2-CG1 4.37Å; H306-V355 HydrophobicContact CB-CG1 4.04Å; S342-V355 PolarHBondContact N-O 2.75Å; F343-V355 HydrophobicContact CD1-CB 4.29Å; F343-V355 HydrophobicContact CD1-CG1 4.31Å; F343-V355 HydrophobicContact CD2-CB 4Å; F343-V355 HydrophobicContact CD2-CG2 4.14Å; F343-V355 HydrophobicContact CE1-CB 4.03Å; F343-V355 HydrophobicContact CE1-CG1 3.64Å; F343-V355 HydrophobicContact CE2-CB 3.72Å; F343-V355 HydrophobicContact CE2-CG1 3.96Å; F343-V355 HydrophobicContact CE2-CG2 3.65Å; F343-V355 HydrophobicContact CG-CB 4.28Å; F343-V355 HydrophobicContact CZ-CB 3.75Å; F343-V355 HydrophobicContact CZ-CG1 3.45Å; F343-V355 VanDerWaalsContact CZ-CG1 3.45Å; F343-V355 HydrophobicContact CZ-CG2 4.03Å; F343-V355 PolarHBondContact N-O 3.27Å; F343-V355 VanDerWaalsContact N-O 3.14Å; F343-V355 WeakPolarHBondContact O-CA 3.48Å; F343-V355 WeakPolarHBondContact O-CB 3.38Å; F343-V355 PolarHBondContact O-N 3.19Å
356	Y	93.9	Very high	85.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142	-178.7	-56.8	-101.7	0	0	0	109.3	L286 H306 V307 A309 T316 L325 V340 T341 G354 S358	L286-Y356 WeakPolarHBondContact CD1-OH 3.08Å; H306-Y356 VanDerWaalsContact CA-O 3.31Å; H306-Y356 WeakPolarHBondContact CA-O 3.38Å; V307-Y356 PolarHBondContact N-O 3.25Å; V307-Y356 PolarHBondContact O-N 3.05Å; A309-Y356 HydrophobicContact CB-CD2 4.31Å; A309-Y356 HydrophobicContact CB-CE2 3.78Å; T316-Y356 HydrophobicContact CG2-CE1 4.35Å; T316-Y356 WeakPolarHBondContact CG2-OH 3.38Å; T316-Y356 PolarHBondContact OG1-OH 2.87Å; L325-Y356 HydrophobicContact CB-CD1 3.68Å; L325-Y356 HydrophobicContact CB-CE1 3.81Å; L325-Y356 HydrophobicContact CB-CG 4.27Å; L325-Y356 HydrophobicContact CD1-CE1 4.49Å; L325-Y356 HydrophobicContact CD2-CD1 4.28Å; L325-Y356 HydrophobicContact CD2-CD2 4.06Å; L325-Y356 HydrophobicContact CD2-CE1 4.49Å; L325-Y356 HydrophobicContact CD2-CE2 4.3Å; L325-Y356 HydrophobicContact CD2-CG 4.09Å; L325-Y356 HydrophobicContact CG-CE1 4.49Å; V340-Y356 CarbonylContact O-C 3.57Å; V340-Y356 WeakPolarHBondContact O-CA 3.11Å; T341-Y356 HydrophobicContact CG2-CE1 4.32Å; T341-Y356 VanDerWaalsContact OG1-CE1 3.27Å; T341-Y356 WeakPolarHBondContact OG1-CE1 3.19Å; G354-Y356 WeakPolarHBondContact O-CE2 3.41Å; Y356-S358 PolarHBondContact O-N 2.93Å
357	T	96.2	Very high	86.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.1	167.2	-67.2	0	0	0	0	108.6	G183 D185 I186 G339 V340 T359	G183-T357 VanDerWaalsContact O-CG2 3.27Å; G183-T357 WeakPolarHBondContact O-CG2 3.27Å; D185-T357 PolarHBondContact O-OG1 3.24Å; I186-T357 HydrophobicContact CB-CG2 3.93Å; I186-T357 HydrophobicContact CD1-CG2 4.38Å; I186-T357 HydrophobicContact CG2-CG2 4.33Å; G339-T357 CarbonylContact C-O 3.49Å; G339-T357 VanDerWaalsContact CA-O 3.22Å; G339-T357 WeakPolarHBondContact CA-O 3.49Å; V340-T357 PolarHBondContact N-O 3.17Å; V340-T357 PolarHBondContact O-N 3.06Å; T357-T359 PolarHBondContact O-N 2.88Å
358	S	97.3	Very high	87.9	Confident	4 Å²	4	24 Å²	24	3%	0.028	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	119.6	-175.9	173.6	0	0	0	0	111.7	V305 Y356 S360 S361 H362	V305-S358 VanDerWaalsContact O-CB 3.27Å; V305-S358 WeakPolarHBondContact O-CB 2.92Å; V305-S358 PolarHBondContact O-N 3.38Å; Y356-S358 PolarHBondContact O-N 2.93Å; S358-S360 PolarHBondContact OG-OG 3.4Å; S358-S360 VanDerWaalsContact OG-OG 3.06Å; S358-S361 VanDerWaalsContact CB-OG 3.31Å; S358-S361 WeakPolarHBondContact CB-OG 3.2Å; S358-S361 PolarHBondContact OG-N 3.09Å; S358-S361 PolarHBondContact OG-OG 3.15Å; S358-H362 PolarHBondContact O-ND1 3.34Å
359	T	97.6	Very high	89.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-38.5	178.4	-58	0	0	0	0	111.5	L116 L206 P207 I337 V338 T357 S361 H362 M363 I366	L116-T359 HydrophobicContact CD2-CG2 3.96Å; L206-T359 HydrophobicContact CD2-CG2 3.94Å; P207-T359 HydrophobicContact CG-CG2 3.84Å; I337-T359 HydrophobicContact CG2-CG2 4.47Å; I337-T359 WeakPolarHBondContact O-CB 3.41Å; I337-T359 WeakPolarHBondContact O-CG2 3.38Å; I337-T359 PolarHBondContact O-OG1 2.89Å; V338-T359 PolarHBondContact O-N 3.24Å; T357-T359 PolarHBondContact O-N 2.88Å; T359-S361 VanDerWaalsContact C-N 3.28Å; T359-S361 PolarHBondContact O-N 2.07Å; T359-H362 PolarHBondContact O-N 2.63Å; T359-M363 HydrophobicContact CG2-SD 4.44Å; T359-M363 PolarHBondContact O-N 2.99Å; T359-I366 HydrophobicContact CG2-CD1 3.64Å
360	S	96.5	Very high	90.2	Very high	16 Å²	16	24.1 Å²	24.1	11%	0.112	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-60.1	-38.9	179.3	55.8	0	0	0	0	112.1	S208 S358 H362 M363	S208-S360 WeakPolarHBondContact O-CB 3.31Å; S358-S360 PolarHBondContact OG-OG 3.4Å; S358-S360 VanDerWaalsContact OG-OG 3.06Å; S360-H362 PolarHBondContact O-N 3.23Å; S360-M363 PolarHBondContact O-N 3.13Å
361	S	96.4	Very high	90.6	Very high	46 Å²	46	25.4 Å²	25.4	32%	0.322	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-65.2	-21.9	177	-59.6	0	0	0	0	113.9	K304 S358 T359	K304-S361 WeakPolarHBondContact O-CB 3.32Å; K304-S361 PolarHBondContact O-OG 3.09Å; S358-S361 VanDerWaalsContact CB-OG 3.31Å; S358-S361 WeakPolarHBondContact CB-OG 3.2Å; S358-S361 PolarHBondContact OG-N 3.09Å; S358-S361 PolarHBondContact OG-OG 3.15Å; T359-S361 VanDerWaalsContact C-N 3.28Å; T359-S361 PolarHBondContact O-N 2.07Å
362	H	96.6	Very high	90.5	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.028	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-108	6.3	-176.4	-66.1	87.5	0	0	0	113.1	H172 G183 Y184 I186 S358 T359 S360 D364 W365 I366	H172-H362 AromaticContact CD2-CD2 3.68Å; H172-H362 AromaticContact NE2-CD2 3.7Å; G183-H362 PolarHBondContact O-CE1 3.32Å; G183-H362 PolarHBondContact O-NE2 3.07Å; Y184-H362 AromaticContact CD1-NE2 3.38Å; Y184-H362 WeakPolarHBondContact CD1-NE2 3.28Å; Y184-H362 AromaticContact CE1-NE2 3.91Å; I186-H362 HydrophobicContact CD1-CB 4.04Å; S358-H362 PolarHBondContact O-ND1 3.34Å; T359-H362 PolarHBondContact O-N 2.63Å; S360-H362 PolarHBondContact O-N 3.23Å; H362-D364 VanDerWaalsContact C-N 3.28Å; H362-D364 PolarHBondContact O-N 3.18Å; H362-W365 HydrophobicContact CB-CE3 4.42Å; H362-W365 WeakPolarHBondContact O-CA 3.27Å; H362-W365 WeakPolarHBondContact O-CB 3.37Å; H362-W365 PolarHBondContact O-N 3.44Å; H362-I366 HydrophobicContact CB-CD1 4.35Å; H362-I366 HydrophobicContact CB-CG1 4.48Å; H362-I366 WeakPolarHBondContact O-CG1 3.4Å; H362-I366 PolarHBondContact O-N 3.35Å
363	M	94.5	Very high	89.8	Confident	13 Å²	13	24.5 Å²	24.5	6%	0.064	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-32.7	-175.3	-80.8	-58.7	-64.2	0	0	114.2	I55 L206 P207 K209 T359 S360 W365 I366 S367	I55-M363 HydrophobicContact CD1-CE 3.89Å; L206-M363 HydrophobicContact CB-CE 3.85Å; L206-M363 HydrophobicContact CB-SD 3.87Å; L206-M363 HydrophobicContact CD1-CE 4.29Å; L206-M363 HydrophobicContact CD1-SD 4.45Å; L206-M363 HydrophobicContact CD2-SD 4.23Å; L206-M363 HydrophobicContact CG-SD 4.42Å; P207-M363 WeakPolarHBondContact O-CG 3Å; K209-M363 HydrophobicContact CG-CB 3.69Å; K209-M363 HydrophobicContact CG-CG 4.47Å; T359-M363 HydrophobicContact CG2-SD 4.44Å; T359-M363 PolarHBondContact O-N 2.99Å; S360-M363 PolarHBondContact O-N 3.13Å; M363-W365 VanDerWaalsContact C-N 3.33Å; M363-I366 PolarHBondContact O-N 3.48Å; M363-I366 HydrophobicContact SD-CD1 4.14Å; M363-S367 VanDerWaalsContact O-CB 3.29Å; M363-S367 WeakPolarHBondContact O-CB 3.5Å; M363-S367 PolarHBondContact O-N 2.7Å
364	D	92.1	Very high	88.6	Confident	107 Å²	107	25.4 Å²	25.4	57%	0.572	14%	0.136	S	C	*	.	H	α-helix	trans	-59.9	-44.7	172.3	-80.9	-44.1	0	0	0	111.9	K209 H362 K368	K209-D364 WeakPolarHBondContact CE-OD1 3.4Å; K209-D364 IonicContact NZ-OD1 3.91Å; K209-D364 PolarHBondContact NZ-OD1 2.72Å; K209-D364 IonicContact NZ-OD2 3.74Å; H362-D364 VanDerWaalsContact C-N 3.28Å; H362-D364 PolarHBondContact O-N 3.18Å; D364-K368 WeakPolarHBondContact O-CB 3.15Å; D364-K368 PolarHBondContact O-N 3.06Å
365	W	94.2	Very high	87	Confident	20 Å²	20	32.4 Å²	32.4	8%	0.076	17%	0.166	C	C	.	.	H	α-helix	trans	-70	-46.8	177.2	170.6	83.8	0	0	0	111	I170 H172 I186 L188 H362 M363 S367 K368 Q369	I170-W365 HydrophobicContact CG2-CZ2 4.11Å; H172-W365 HydrophobicContact CB-CZ2 4.4Å; H172-W365 AromaticContact CD2-CD1 3.79Å; H172-W365 AromaticContact CD2-CD2 3.58Å; H172-W365 AromaticContact CD2-CE2 3.87Å; H172-W365 AromaticContact CD2-CG 3.56Å; H172-W365 AromaticContact CD2-NE1 3.97Å; H172-W365 AromaticContact NE2-CG 3.91Å; I186-W365 HydrophobicContact CD1-CZ3 4.18Å; I186-W365 HydrophobicContact CG1-CZ3 4Å; I186-W365 HydrophobicContact CG2-CE3 4.3Å; I186-W365 HydrophobicContact CG2-CH2 4.32Å; I186-W365 HydrophobicContact CG2-CZ3 3.9Å; L188-W365 HydrophobicContact CB-CH2 4.27Å; L188-W365 HydrophobicContact CD1-CH2 3.91Å; L188-W365 HydrophobicContact CD1-CZ2 4.34Å; L188-W365 HydrophobicContact CD1-CZ3 4.09Å; L188-W365 HydrophobicContact CG-CH2 3.72Å; L188-W365 HydrophobicContact CG-CZ2 4.48Å; L188-W365 HydrophobicContact CG-CZ3 4.04Å; H362-W365 HydrophobicContact CB-CE3 4.42Å; H362-W365 WeakPolarHBondContact O-CA 3.27Å; H362-W365 WeakPolarHBondContact O-CB 3.37Å; H362-W365 PolarHBondContact O-N 3.44Å; M363-W365 VanDerWaalsContact C-N 3.33Å; W365-S367 PolarHBondContact O-N 3.2Å; W365-K368 PolarHBondContact O-N 3.01Å; W365-Q369 HydrophobicContact CD2-CG 4.14Å; W365-Q369 HydrophobicContact CG-CG 4.33Å; W365-Q369 HydrophobicContact CZ2-CG 4.06Å; W365-Q369 WeakPolarHBondContact O-CG 3.48Å; W365-Q369 PolarHBondContact O-N 3.4Å
366	I	94.7	Very high	86.8	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-52.9	179.7	-65.5	170.8	0	0	0	110.2	I110 L116 I186 L206 T359 H362 M363 K368 Q369 L370	I110-I366 HydrophobicContact CD1-CG2 4.22Å; L116-I366 HydrophobicContact CD1-CD1 4.17Å; L116-I366 HydrophobicContact CD1-CG1 4.38Å; L116-I366 HydrophobicContact CD2-CD1 4.33Å; I186-I366 HydrophobicContact CD1-CD1 4.31Å; L206-I366 HydrophobicContact CD1-CG2 3.87Å; L206-I366 HydrophobicContact CD2-CD1 4.36Å; L206-I366 HydrophobicContact CD2-CG2 4.36Å; T359-I366 HydrophobicContact CG2-CD1 3.64Å; H362-I366 HydrophobicContact CB-CD1 4.35Å; H362-I366 HydrophobicContact CB-CG1 4.48Å; H362-I366 WeakPolarHBondContact O-CG1 3.4Å; H362-I366 PolarHBondContact O-N 3.35Å; M363-I366 PolarHBondContact O-N 3.48Å; M363-I366 HydrophobicContact SD-CD1 4.14Å; I366-K368 VanDerWaalsContact C-N 3.34Å; I366-K368 PolarHBondContact O-N 3.44Å; I366-Q369 PolarHBondContact O-N 3.08Å; I366-Q369 VanDerWaalsContact O-N 3.15Å; I366-L370 HydrophobicContact CG2-CD1 3.94Å; I366-L370 HydrophobicContact CG2-CG 4.24Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 3.47Å
367	S	91.5	Very high	86.4	Confident	10 Å²	10	35.8 Å²	35.8	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-56.7	-48.2	178.9	178.3	0	0	0	0	111.2	G51 D52 M363 W365 Q369 L370 A371	G51-S367 VanDerWaalsContact CA-O 3.28Å; G51-S367 WeakPolarHBondContact CA-O 3.34Å; D52-S367 PolarHBondContact N-OG 3.16Å; D52-S367 VanDerWaalsContact N-OG 3.13Å; D52-S367 WeakPolarHBondContact OD1-CB 3.22Å; D52-S367 PolarHBondContact OD1-OG 2.68Å; M363-S367 VanDerWaalsContact O-CB 3.29Å; M363-S367 WeakPolarHBondContact O-CB 3.5Å; M363-S367 PolarHBondContact O-N 2.7Å; W365-S367 PolarHBondContact O-N 3.2Å; S367-Q369 VanDerWaalsContact C-N 3.31Å; S367-Q369 PolarHBondContact O-N 3.45Å; S367-L370 PolarHBondContact O-N 2.55Å; S367-A371 PolarHBondContact O-N 3.17Å
368	K	88	Confident	85.9	Confident	127 Å²	127	37.8 Å²	37.8	55%	0.552	19%	0.194	S	C	*	.	H	α-helix	trans	-57.6	-42.7	177.6	-176.5	178.9	178.4	-178.9	0	112.8	D364 W365 I366 T372	D364-K368 WeakPolarHBondContact O-CB 3.15Å; D364-K368 PolarHBondContact O-N 3.06Å; W365-K368 PolarHBondContact O-N 3.01Å; I366-K368 VanDerWaalsContact C-N 3.34Å; I366-K368 PolarHBondContact O-N 3.44Å; K368-T372 PolarHBondContact O-OG1 3.27Å
369	Q	89.6	Confident	85.2	Confident	11 Å²	11	39.8 Å²	39.8	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-73.1	-36.7	-178.5	-64.5	-43.1	-47.8	0	0	112.9	I170 L188 W365 I366 S367 A371 T372	I170-Q369 HydrophobicContact CD1-CB 4.26Å; I170-Q369 HydrophobicContact CD1-CG 4.47Å; I170-Q369 HydrophobicContact CG2-CG 4.12Å; L188-Q369 HydrophobicContact CD1-CB 3.33Å; L188-Q369 HydrophobicContact CD1-CG 3.98Å; W365-Q369 HydrophobicContact CD2-CG 4.14Å; W365-Q369 HydrophobicContact CG-CG 4.33Å; W365-Q369 HydrophobicContact CZ2-CG 4.06Å; W365-Q369 WeakPolarHBondContact O-CG 3.48Å; W365-Q369 PolarHBondContact O-N 3.4Å; I366-Q369 PolarHBondContact O-N 3.08Å; I366-Q369 VanDerWaalsContact O-N 3.15Å; S367-Q369 VanDerWaalsContact C-N 3.31Å; S367-Q369 PolarHBondContact O-N 3.45Å; Q369-A371 PolarHBondContact O-N 2.91Å; Q369-T372 WeakPolarHBondContact O-CB 3.44Å; Q369-T372 PolarHBondContact O-N 3.19Å; Q369-T372 PolarHBondContact O-OG1 3.29Å; Q369-T372 VanDerWaalsContact O-OG1 3.13Å
370	L	87.8	Confident	84.4	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-29.6	176.3	-70.7	177.5	0	0	0	112.6	I54 I55 I110 A111 W114 L206 I366 S367 T372	I54-L370 HydrophobicContact CD1-CB 4.44Å; I54-L370 WeakPolarHBondContact CD1-O 3.36Å; I55-L370 HydrophobicContact CD1-CD1 4.18Å; I55-L370 HydrophobicContact CG1-CD1 3.89Å; I110-L370 HydrophobicContact CD1-CD2 4.14Å; A111-L370 HydrophobicContact CB-CD2 4.33Å; W114-L370 HydrophobicContact CB-CD2 3.66Å; W114-L370 VanDerWaalsContact CD1-CD2 3.43Å; W114-L370 HydrophobicContact CD2-CD2 3.94Å; W114-L370 HydrophobicContact CG-CD2 3.4Å; W114-L370 VanDerWaalsContact CG-CD2 3.4Å; L206-L370 HydrophobicContact CD1-CD1 4.12Å; I366-L370 HydrophobicContact CG2-CD1 3.94Å; I366-L370 HydrophobicContact CG2-CG 4.24Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 3.47Å; S367-L370 PolarHBondContact O-N 2.55Å; L370-T372 VanDerWaalsContact C-N 3.25Å; L370-T372 PolarHBondContact O-N 2.92Å
371	A	76.7	Confident	83.6	Confident	38 Å²	38	44 Å²	44	31%	0.314	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.4	174.6	0	0	0	0	0	114	S367 Q369 K373	S367-A371 PolarHBondContact O-N 3.17Å; Q369-A371 PolarHBondContact O-N 2.91Å; A371-K373 PolarHBondContact O-N 3.11Å
372	T	71.1	Confident	82.7	Confident	20 Å²	20	43.9 Å²	43.9	12%	0.123	22%	0.216	C	C	.	.			trans	-73.7	114.7	-169.9	-61.7	0	0	0	0	110.9	Y8 P134 K368 Q369 L370 I374	Y8-T372 HydrophobicContact CD2-CG2 3.88Å; Y8-T372 HydrophobicContact CE2-CG2 3.85Å; P134-T372 HydrophobicContact CG-CG2 4.11Å; K368-T372 PolarHBondContact O-OG1 3.27Å; Q369-T372 WeakPolarHBondContact O-CB 3.44Å; Q369-T372 PolarHBondContact O-N 3.19Å; Q369-T372 PolarHBondContact O-OG1 3.29Å; Q369-T372 VanDerWaalsContact O-OG1 3.13Å; L370-T372 VanDerWaalsContact C-N 3.25Å; L370-T372 PolarHBondContact O-N 2.92Å; T372-I374 HydrophobicContact CG2-CG1 4Å
373	K	66.4	Low	81.7	Confident	78 Å²	78	46.8 Å²	46.8	34%	0.339	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.3	170.4	-63.4	-178.5	-177.2	171.9	0	109.2	Q45 A371 F375	Q45-K373 PolarHBondContact O-NZ 3.18Å; A371-K373 PolarHBondContact O-N 3.11Å; K373-F375 HydrophobicContact CB-CD2 4.2Å; K373-F375 HydrophobicContact CB-CE2 3.47Å; K373-F375 VanDerWaalsContact CB-CE2 3.47Å; K373-F375 HydrophobicContact CB-CZ 3.83Å; K373-F375 HydrophobicContact CD-CE2 4.35Å; K373-F375 HydrophobicContact CD-CZ 4.05Å; K373-F375 HydrophobicContact CG-CZ 4.5Å
374	I	61.4	Low	80.6	Confident	28 Å²	28	49.6 Å²	49.6	14%	0.144	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.5	175.7	-47	171.6	0	0	0	107.2	W114 P134 V168 R190 T372	W114-I374 HydrophobicContact CH2-CD1 4.33Å; P134-I374 HydrophobicContact CB-CD1 3.79Å; P134-I374 HydrophobicContact CB-CG1 4.27Å; P134-I374 HydrophobicContact CG-CD1 4.1Å; P134-I374 HydrophobicContact CG-CG1 4.25Å; V168-I374 HydrophobicContact CB-CD1 4.18Å; V168-I374 HydrophobicContact CG1-CD1 3.7Å; V168-I374 HydrophobicContact CG2-CD1 3.94Å; R190-I374 PolarHBondContact NH1-O 3.25Å; T372-I374 HydrophobicContact CG2-CG1 4Å
375	F	53.7	Low	79.5	Confident	150 Å²	150	44.4 Å²	44.4	66%	0.658	21%	0.214	S	C	*	.			trans	-109.9	0	-175.1	-67.5	-79.4	0	0	0	112	R7 K373	R7-F375 HydrophobicContact CB-CD2 4.31Å; R7-F375 HydrophobicContact CG-CD2 4.12Å; R7-F375 HydrophobicContact CG-CE2 3.86Å; K373-F375 HydrophobicContact CB-CD2 4.2Å; K373-F375 HydrophobicContact CB-CE2 3.47Å; K373-F375 VanDerWaalsContact CB-CE2 3.47Å; K373-F375 HydrophobicContact CB-CZ 3.83Å; K373-F375 HydrophobicContact CD-CE2 4.35Å; K373-F375 HydrophobicContact CD-CZ 4.05Å; K373-F375 HydrophobicContact CG-CZ 4.5Å

Retrieved 375 of 375 residues in 387.2 ms (Link to these results)

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