A0A077Z540_TRITR Loading...

Prolyl 3,4-dihydroxylase TPA1/OFD1 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z540, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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	25.5	Very low	26.5	Very low	216 Å²	216	129.4 Å²	129.4	100%	1.064	67%	0.67	S	S	*	*				0	84.9	0	-168.3	174.5	159.4	0	0	108.3	K3	M1-K3 PolarHBondContact O-N 3.27Å; M1-K3 VanDerWaalsContact O-N 3.1Å
2	V	22	Very low	27.5	Very low	141 Å²	141	130.7 Å²	130.7	86%	0.855	68%	0.679	S	S	*	*			trans	-77.6	98.9	-174.6	179.7	0	0	0	0	108.4	Q4	V2-Q4 PolarHBondContact O-N 3.45Å
3	K	20.3	Very low	28.5	Very low	174 Å²	174	123.4 Å²	123.4	76%	0.757	65%	0.646	S	S	*	*			trans	-70	106	167.4	-72.5	-176.4	176.8	-178.1	0	107.7	M1 K5	M1-K3 PolarHBondContact O-N 3.27Å; M1-K3 VanDerWaalsContact O-N 3.1Å; K3-K5 PolarHBondContact O-N 2.9Å; K3-K5 VanDerWaalsContact O-N 3.15Å
4	Q	26.3	Very low	29.8	Very low	136 Å²	136	121.9 Å²	121.9	64%	0.636	65%	0.647	S	S	*	*			trans	-59.4	113.3	171.6	-78.8	178.6	-20.8	0	0	109.1	V2 T6	V2-Q4 PolarHBondContact O-N 3.45Å; Q4-T6 PolarHBondContact O-N 3.11Å
5	K	22.6	Very low	30.7	Very low	194 Å²	194	115.6 Å²	115.6	84%	0.843	61%	0.614	S	S	*	*			trans	-84.7	101.6	164.8	-78.8	-176.1	175.1	-178.7	0	108	K3	K3-K5 PolarHBondContact O-N 2.9Å; K3-K5 VanDerWaalsContact O-N 3.15Å
6	T	26.3	Very low	31	Very low	73 Å²	73	112.8 Å²	112.8	45%	0.448	60%	0.597	S	S	.	*			trans	-77.7	141.6	166.2	24.8	0	0	0	0	110	Q4	Q4-T6 PolarHBondContact O-N 3.11Å
7	H	26.4	Very low	32.1	Very low	91 Å²	91	112 Å²	112	42%	0.421	59%	0.593	S	S	.	*			trans	-78.7	136.9	179.5	-151	-104.5	0	0	0	110.3	S9 L10 R207	H7-S9 PolarHBondContact ND1-OG 2.77Å; H7-S9 PolarHBondContact O-N 2.92Å; H7-S9 VanDerWaalsContact O-N 3.1Å; H7-L10 PolarHBondContact O-N 3.23Å; H7-R207 PolarHBondContact CD2-NH1 3.11Å
8	P	28.2	Very low	32.7	Very low	103 Å²	103	107.5 Å²	107.5	67%	0.669	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-61.5	-23.9	-170.2	-23.2	32.2	0	0	0	115.5	L10	P8-L10 PolarHBondContact O-N 3.29Å
9	S	31.6	Very low	33.3	Very low	99 Å²	99	102.5 Å²	102.5	69%	0.692	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-80.9	-9.1	-173.4	57	0	0	0	0	115.3	H7	H7-S9 PolarHBondContact ND1-OG 2.77Å; H7-S9 PolarHBondContact O-N 2.92Å; H7-S9 VanDerWaalsContact O-N 3.1Å
10	L	31.6	Very low	33.7	Very low	74 Å²	74	100.7 Å²	100.7	39%	0.387	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-111.2	-1.6	179.6	-80.8	161.5	0	0	0	113.1	H7 P8 N12	H7-L10 PolarHBondContact O-N 3.23Å; P8-L10 PolarHBondContact O-N 3.29Å; L10-N12 PolarHBondContact O-N 3.3Å
11	M	31.1	Very low	34.5	Very low	122 Å²	122	99.5 Å²	99.5	60%	0.601	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.7	-176.8	-118.5	169	161.8	0	0	113.6
12	N	38.5	Very low	35.7	Very low	145 Å²	145	89.5 Å²	89.5	78%	0.775	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	24.3	-172.9	-64.7	-18.7	0	0	0	114	L10	L10-N12 PolarHBondContact O-N 3.3Å
13	S	40	Very low	37	Very low	36 Å²	36	86.5 Å²	86.5	25%	0.252	47%	0.469	S	S	.	.			trans	-83.6	132.8	173.8	68.8	0	0	0	0	110.3	L15 M16	S13-L15 PolarHBondContact O-N 3.41Å; S13-M16 PolarHBondContact O-N 2.9Å; S13-M16 VanDerWaalsContact OG-CG 3.27Å; S13-M16 WeakPolarHBondContact OG-CG 3.38Å
14	P	47.3	Very low	38.3	Very low	102 Å²	102	83.7 Å²	83.7	66%	0.662	46%	0.462	S	S	*	.	H	α-helix	trans	-51.4	-32.1	178.7	-27.6	33.6	0	0	0	114	M16 S18	P14-M16 PolarHBondContact O-N 3.46Å; P14-S18 PolarHBondContact O-N 2.69Å; P14-S18 VanDerWaalsContact O-N 3.11Å; P14-S18 PolarHBondContact O-OG 2.9Å
15	L	42.7	Very low	39.5	Very low	28 Å²	28	79.8 Å²	79.8	15%	0.147	44%	0.443	C	S	.	.	H	α-helix	trans	-64.9	-37.2	177.6	-173.2	69.5	0	0	0	112.9	S13 S18 C19 F55 Q59 W63	S13-L15 PolarHBondContact O-N 3.41Å; L15-S18 PolarHBondContact O-N 3.16Å; L15-C19 WeakPolarHBondContact O-CB 3.04Å; L15-C19 PolarHBondContact O-N 2.92Å; L15-C19 PolarHBondContact O-SG 3.29Å; L15-F55 HydrophobicContact CD1-CE2 4.2Å; L15-Q59 HydrophobicContact CD1-CB 3.98Å; L15-W63 HydrophobicContact CD2-CB 4.03Å; L15-W63 HydrophobicContact CD2-CD2 3.36Å; L15-W63 HydrophobicContact CD2-CE3 3.58Å; L15-W63 HydrophobicContact CD2-CG 3.5Å; L15-W63 HydrophobicContact CD2-CZ2 4.46Å; L15-W63 HydrophobicContact CD2-CZ3 4.1Å
16	M	36.1	Very low	40.9	Very low	71 Å²	71	70.7 Å²	70.7	35%	0.35	40%	0.404	S	S	.	.	H	α-helix	trans	-69.6	-36	-178.8	-77.7	-66.7	-67.4	0	0	112.2	S13 P14 C19 S20	S13-M16 PolarHBondContact O-N 2.9Å; S13-M16 VanDerWaalsContact OG-CG 3.27Å; S13-M16 WeakPolarHBondContact OG-CG 3.38Å; P14-M16 PolarHBondContact O-N 3.46Å; M16-C19 PolarHBondContact O-N 3.29Å; M16-S20 WeakPolarHBondContact O-CB 3.36Å; M16-S20 PolarHBondContact O-N 2.85Å; M16-S20 PolarHBondContact O-OG 3.34Å
17	D	48.5	Very low	42.1	Very low	99 Å²	99	70.8 Å²	70.8	53%	0.529	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-42.7	173.6	-66.7	-25.1	0	0	0	110.3	S20 S21	D17-S20 PolarHBondContact O-N 3.47Å; D17-S21 WeakPolarHBondContact O-CB 3.38Å; D17-S21 PolarHBondContact O-N 3.2Å; D17-S21 PolarHBondContact O-OG 2.93Å
18	S	44.3	Very low	43.4	Very low	31 Å²	31	74 Å²	74	22%	0.217	41%	0.414	C	S	.	.	H	α-helix	trans	-63.3	-43.4	173.6	-71.3	0	0	0	0	113	P14 L15 S20 S21 F22 Q59	P14-S18 PolarHBondContact O-N 2.69Å; P14-S18 VanDerWaalsContact O-N 3.11Å; P14-S18 PolarHBondContact O-OG 2.9Å; L15-S18 PolarHBondContact O-N 3.16Å; S18-S20 VanDerWaalsContact C-N 3.34Å; S18-S20 PolarHBondContact O-N 3.36Å; S18-S21 PolarHBondContact O-N 3.38Å; S18-F22 WeakPolarHBondContact O-CB 3.34Å; S18-F22 PolarHBondContact O-N 3.26Å; S18-Q59 PolarHBondContact OG-NE2 3.17Å; S18-Q59 PolarHBondContact OG-OE1 2.88Å
19	C	42.5	Very low	44.5	Very low	13 Å²	13	71.3 Å²	71.3	9%	0.088	39%	0.394	C	S	.	.	H	α-helix	trans	-61.1	-42.8	176.4	-74.2	0	0	0	0	111.5	L15 M16 F22 Q23 F55 F211	L15-C19 WeakPolarHBondContact O-CB 3.04Å; L15-C19 PolarHBondContact O-N 2.92Å; L15-C19 PolarHBondContact O-SG 3.29Å; M16-C19 PolarHBondContact O-N 3.29Å; C19-F22 PolarHBondContact O-N 3.15Å; C19-Q23 WeakPolarHBondContact O-CB 3.43Å; C19-Q23 PolarHBondContact O-N 3Å; C19-F55 VanDerWaalsContact SG-CZ 3.59Å; C19-F211 HydrophobicContact CB-CD2 4.49Å; C19-F211 HydrophobicContact CB-CE2 4.18Å
20	S	42.8	Very low	45.5	Very low	65 Å²	65	68.8 Å²	68.8	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-66.8	-42.6	179.2	-57.6	0	0	0	0	111.2	M16 D17 S18 Q23 L24	M16-S20 WeakPolarHBondContact O-CB 3.36Å; M16-S20 PolarHBondContact O-N 2.85Å; M16-S20 PolarHBondContact O-OG 3.34Å; D17-S20 PolarHBondContact O-N 3.47Å; S18-S20 VanDerWaalsContact C-N 3.34Å; S18-S20 PolarHBondContact O-N 3.36Å; S20-Q23 PolarHBondContact O-N 2.51Å; S20-L24 WeakPolarHBondContact O-CB 3.46Å; S20-L24 PolarHBondContact O-N 3.07Å
21	S	49.8	Very low	46	Very low	77 Å²	77	72.2 Å²	72.2	54%	0.538	39%	0.393	S	S	.	.	H	α-helix	trans	-64.7	-40.8	175.3	-58.2	0	0	0	0	111.8	D17 S18 L24 F25	D17-S21 WeakPolarHBondContact O-CB 3.38Å; D17-S21 PolarHBondContact O-N 3.2Å; D17-S21 PolarHBondContact O-OG 2.93Å; S18-S21 PolarHBondContact O-N 3.38Å; S21-L24 PolarHBondContact O-N 3.28Å; S21-F25 WeakPolarHBondContact O-CB 3.27Å; S21-F25 PolarHBondContact O-N 2.96Å
22	F	51.5	Low	46.6	Very low	6 Å²	6	72.4 Å²	72.4	3%	0.026	40%	0.397	C	S	.	.	H	α-helix	trans	-65	-45.9	176.9	-176.8	-107.5	0	0	0	111.6	S18 C19 L24 F25 I26 T51 I52 F55 F56 L105	S18-F22 WeakPolarHBondContact O-CB 3.34Å; S18-F22 PolarHBondContact O-N 3.26Å; C19-F22 PolarHBondContact O-N 3.15Å; F22-L24 PolarHBondContact O-N 3.25Å; F22-F25 WeakPolarHBondContact O-CB 3.47Å; F22-F25 PolarHBondContact O-N 2.98Å; F22-F25 VanDerWaalsContact O-N 3.09Å; F22-I26 HydrophobicContact CD1-CG1 4.14Å; F22-I26 HydrophobicContact CE1-CD1 4.01Å; F22-I26 HydrophobicContact CE1-CG1 3.83Å; F22-I26 HydrophobicContact CE2-CD1 4.21Å; F22-I26 HydrophobicContact CE2-CG1 4.43Å; F22-I26 HydrophobicContact CZ-CD1 3.72Å; F22-I26 HydrophobicContact CZ-CG1 4Å; F22-I26 WeakPolarHBondContact O-CG1 3.37Å; F22-I26 PolarHBondContact O-N 3.49Å; F22-T51 HydrophobicContact CD2-CG2 4.24Å; F22-I52 HydrophobicContact CE2-CB 4.14Å; F22-I52 HydrophobicContact CE2-CG1 3.62Å; F22-I52 HydrophobicContact CZ-CB 4.23Å; F22-I52 HydrophobicContact CZ-CG1 3.71Å; F22-I52 HydrophobicContact CZ-CG2 4.25Å; F22-F55 AromaticContact CD1-CD1 3.81Å; F22-F55 HydrophobicContact CD1-CD1 3.81Å; F22-F55 AromaticContact CD1-CE1 3.84Å; F22-F55 HydrophobicContact CD1-CE1 3.84Å; F22-F55 HydrophobicContact CD1-CG 4.42Å; F22-F55 HydrophobicContact CD1-CZ 4.48Å; F22-F55 HydrophobicContact CD2-CB 4.08Å; F22-F55 HydrophobicContact CD2-CD1 4.18Å; F22-F55 HydrophobicContact CD2-CG 4.09Å; F22-F55 AromaticContact CE1-CD1 3.78Å; F22-F55 HydrophobicContact CE1-CD1 3.78Å; F22-F55 HydrophobicContact CE1-CE1 4.03Å; F22-F55 HydrophobicContact CE2-CB 4.08Å; F22-F55 HydrophobicContact CE2-CD1 4.17Å; F22-F55 HydrophobicContact CE2-CG 4.32Å; F22-F55 AromaticContact CG-CD1 3.99Å; F22-F55 HydrophobicContact CG-CD1 3.99Å; F22-F55 HydrophobicContact CG-CE1 4.28Å; F22-F55 HydrophobicContact CG-CG 4.13Å; F22-F55 AromaticContact CZ-CD1 3.95Å; F22-F55 HydrophobicContact CZ-CD1 3.95Å; F22-F56 HydrophobicContact CE1-CE2 4.49Å; F22-F56 HydrophobicContact CZ-CE2 4.25Å; F22-L105 HydrophobicContact CE1-CD2 3.79Å; F22-L105 HydrophobicContact CZ-CD2 4.39Å
23	Q	47.7	Very low	46.8	Very low	78 Å²	78	68 Å²	68	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-43.3	176	-171.7	67.4	54	0	0	111.9	C19 S20 F25 I26 N27	C19-Q23 WeakPolarHBondContact O-CB 3.43Å; C19-Q23 PolarHBondContact O-N 3Å; S20-Q23 PolarHBondContact O-N 2.51Å; Q23-F25 PolarHBondContact O-N 3.31Å; Q23-I26 PolarHBondContact O-N 3.03Å; Q23-N27 PolarHBondContact NE2-OD1 3.39Å; Q23-N27 WeakPolarHBondContact O-CB 2.76Å; Q23-N27 PolarHBondContact O-N 3.26Å; Q23-N27 PolarHBondContact O-OD1 3.34Å
24	L	49	Very low	46.7	Very low	115 Å²	115	74.7 Å²	74.7	60%	0.602	41%	0.408	S	S	*	.	H	α-helix	trans	-58.4	-35.1	174.5	-92.5	158.1	0	0	0	112.2	S20 S21 F22 K28	S20-L24 WeakPolarHBondContact O-CB 3.46Å; S20-L24 PolarHBondContact O-N 3.07Å; S21-L24 PolarHBondContact O-N 3.28Å; F22-L24 PolarHBondContact O-N 3.25Å; L24-K28 WeakPolarHBondContact O-CG 3.39Å; L24-K28 PolarHBondContact O-N 3.3Å
25	F	50.1	Low	46.4	Very low	53 Å²	53	74.9 Å²	74.9	23%	0.232	40%	0.398	C	S	.	.	H	α-helix	trans	-76.8	-44	179.8	-177.6	-103.1	0	0	0	112.4	S21 F22 Q23 N27 K28 D29 F48 T51	S21-F25 WeakPolarHBondContact O-CB 3.27Å; S21-F25 PolarHBondContact O-N 2.96Å; F22-F25 WeakPolarHBondContact O-CB 3.47Å; F22-F25 PolarHBondContact O-N 2.98Å; F22-F25 VanDerWaalsContact O-N 3.09Å; Q23-F25 PolarHBondContact O-N 3.31Å; F25-N27 VanDerWaalsContact C-N 3.31Å; F25-N27 PolarHBondContact O-N 3.18Å; F25-K28 PolarHBondContact O-N 3.14Å; F25-K28 VanDerWaalsContact O-N 3.14Å; F25-D29 PolarHBondContact O-N 3.29Å; F25-F48 AromaticContact CD1-CD2 3.63Å; F25-F48 HydrophobicContact CD1-CD2 3.63Å; F25-F48 AromaticContact CD1-CE2 3.82Å; F25-F48 HydrophobicContact CD1-CE2 3.82Å; F25-F48 VanDerWaalsContact CE1-CA 3.47Å; F25-F48 HydrophobicContact CE1-CB 4.11Å; F25-F48 AromaticContact CE1-CD2 3.16Å; F25-F48 HydrophobicContact CE1-CD2 3.16Å; F25-F48 AromaticContact CE1-CE2 3.83Å; F25-F48 HydrophobicContact CE1-CE2 3.83Å; F25-F48 AromaticContact CE1-CG 3.96Å; F25-F48 HydrophobicContact CE1-CG 3.96Å; F25-F48 VanDerWaalsContact CZ-CA 3.49Å; F25-F48 HydrophobicContact CZ-CB 4.15Å; F25-F48 AromaticContact CZ-CD2 3.77Å; F25-F48 HydrophobicContact CZ-CD2 3.77Å; F25-F48 HydrophobicContact CZ-CG 4.42Å; F25-T51 HydrophobicContact CD1-CG2 3.85Å; F25-T51 VanDerWaalsContact CE1-CB 3.45Å; F25-T51 HydrophobicContact CE1-CG2 3.79Å; F25-T51 HydrophobicContact CG-CG2 4.5Å; F25-T51 HydrophobicContact CZ-CG2 4.46Å
26	I	54	Low	46.4	Very low	4 Å²	4	75.5 Å²	75.5	2%	0.021	40%	0.402	C	S	.	.	H	α-helix	trans	-49.3	-53.4	167.4	-67.6	-63	0	0	0	110.3	F22 Q23 K28 D29 V30 F48 I52 L107	F22-I26 HydrophobicContact CD1-CG1 4.14Å; F22-I26 HydrophobicContact CE1-CD1 4.01Å; F22-I26 HydrophobicContact CE1-CG1 3.83Å; F22-I26 HydrophobicContact CE2-CD1 4.21Å; F22-I26 HydrophobicContact CE2-CG1 4.43Å; F22-I26 HydrophobicContact CZ-CD1 3.72Å; F22-I26 HydrophobicContact CZ-CG1 4Å; F22-I26 WeakPolarHBondContact O-CG1 3.37Å; F22-I26 PolarHBondContact O-N 3.49Å; Q23-I26 PolarHBondContact O-N 3.03Å; I26-K28 PolarHBondContact O-N 3.32Å; I26-D29 PolarHBondContact O-N 2.52Å; I26-V30 HydrophobicContact CG2-CG2 3.69Å; I26-V30 WeakPolarHBondContact O-CB 3.12Å; I26-V30 WeakPolarHBondContact O-CG2 3.38Å; I26-V30 PolarHBondContact O-N 3.35Å; I26-F48 HydrophobicContact CD1-CE1 4.4Å; I26-F48 HydrophobicContact CD1-CE2 3.79Å; I26-F48 HydrophobicContact CD1-CZ 3.4Å; I26-F48 VanDerWaalsContact CD1-CZ 3.4Å; I26-I52 HydrophobicContact CD1-CD1 4.01Å; I26-I52 HydrophobicContact CD1-CG1 4.2Å; I26-L107 HydrophobicContact CD1-CD2 4.31Å; I26-L107 HydrophobicContact CG2-CD2 3.79Å
27	N	49.7	Very low	46.7	Very low	75 Å²	75	78.1 Å²	78.1	40%	0.401	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-20.5	-175.5	-72.2	24.1	0	0	0	113.6	Q23 F25	Q23-N27 PolarHBondContact NE2-OD1 3.39Å; Q23-N27 WeakPolarHBondContact O-CB 2.76Å; Q23-N27 PolarHBondContact O-N 3.26Å; Q23-N27 PolarHBondContact O-OD1 3.34Å; F25-N27 VanDerWaalsContact C-N 3.31Å; F25-N27 PolarHBondContact O-N 3.18Å
28	K	53.7	Low	46.7	Very low	157 Å²	157	80.2 Å²	80.2	68%	0.683	42%	0.424	S	S	*	.	H	α-helix	trans	-83	-32.4	176.9	-82.4	-178.9	178	-178.2	0	113.5	L24 F25 I26	L24-K28 WeakPolarHBondContact O-CG 3.39Å; L24-K28 PolarHBondContact O-N 3.3Å; F25-K28 PolarHBondContact O-N 3.14Å; F25-K28 VanDerWaalsContact O-N 3.14Å; I26-K28 PolarHBondContact O-N 3.32Å
29	D	52.9	Low	47	Very low	48 Å²	48	83.9 Å²	83.9	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-108.2	-18	-170.4	-88.3	-21.7	0	0	0	113.9	F25 I26 D31 N32 V33 F48	F25-D29 PolarHBondContact O-N 3.29Å; I26-D29 PolarHBondContact O-N 2.52Å; D29-D31 PolarHBondContact O-N 3.35Å; D29-D31 VanDerWaalsContact O-N 3.14Å; D29-N32 PolarHBondContact O-N 3.11Å; D29-V33 WeakPolarHBondContact O-CG2 3.5Å; D29-F48 HydrophobicContact CB-CB 4.5Å; D29-F48 HydrophobicContact CB-CD2 3.36Å; D29-F48 HydrophobicContact CB-CE2 3.63Å; D29-F48 HydrophobicContact CB-CG 4.01Å; D29-F48 HydrophobicContact CB-CZ 4.42Å; D29-F48 WeakPolarHBondContact OD2-CD2 3.21Å
30	V	51.2	Low	47.8	Very low	46 Å²	46	87.8 Å²	87.8	28%	0.279	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-58.1	-27.1	176.8	165.4	0	0	0	0	112.3	I26 N32 F48	I26-V30 HydrophobicContact CG2-CG2 3.69Å; I26-V30 WeakPolarHBondContact O-CB 3.12Å; I26-V30 WeakPolarHBondContact O-CG2 3.38Å; I26-V30 PolarHBondContact O-N 3.35Å; V30-N32 PolarHBondContact O-N 3.22Å; V30-F48 HydrophobicContact CG2-CZ 4.39Å
31	D	43	Very low	48.9	Very low	146 Å²	146	85 Å²	85	78%	0.781	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-65.1	-15.9	175.6	-71	-19.5	0	0	0	113.9	D29	D29-D31 PolarHBondContact O-N 3.35Å; D29-D31 VanDerWaalsContact O-N 3.14Å
32	N	42.5	Very low	49.7	Very low	125 Å²	125	88.8 Å²	88.8	67%	0.668	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-102.4	5.9	-175	-83.9	-40.9	0	0	0	115.1	D29 V30 N34	D29-N32 PolarHBondContact O-N 3.11Å; V30-N32 PolarHBondContact O-N 3.22Å; N32-N34 PolarHBondContact O-N 2.95Å
33	V	43.2	Very low	50.4	Low	53 Å²	53	92.6 Å²	92.6	32%	0.321	47%	0.472	S	S	.	.			trans	-106.7	84.4	-159.8	-170.5	0	0	0	0	113.4	D29 F35 L36	D29-V33 WeakPolarHBondContact O-CG2 3.5Å; V33-F35 HydrophobicContact CB-CD2 4.19Å; V33-F35 HydrophobicContact CG1-CB 3.46Å; V33-F35 VanDerWaalsContact CG1-CB 3.46Å; V33-F35 HydrophobicContact CG1-CD2 3.58Å; V33-F35 HydrophobicContact CG1-CG 3.92Å; V33-F35 PolarHBondContact O-N 3.2Å; V33-F35 VanDerWaalsContact O-N 3.12Å; V33-L36 HydrophobicContact CG1-CD1 4.48Å; V33-L36 HydrophobicContact CG1-CG 4.24Å
34	N	37.8	Very low	51.2	Low	176 Å²	176	93.2 Å²	93.2	94%	0.941	47%	0.471	S	S	*	.			trans	-70.8	23.4	156.2	-89.6	-31.8	0	0	0	113	N32	N32-N34 PolarHBondContact O-N 2.95Å
35	F	41.3	Very low	52.2	Low	106 Å²	106	92.4 Å²	92.4	47%	0.465	48%	0.476	S	S	.	.			trans	-101.3	178.2	179.7	-54.9	-107.9	0	0	0	107.6	V33 Y44	V33-F35 HydrophobicContact CB-CD2 4.19Å; V33-F35 HydrophobicContact CG1-CB 3.46Å; V33-F35 VanDerWaalsContact CG1-CB 3.46Å; V33-F35 HydrophobicContact CG1-CD2 3.58Å; V33-F35 HydrophobicContact CG1-CG 3.92Å; V33-F35 PolarHBondContact O-N 3.2Å; V33-F35 VanDerWaalsContact O-N 3.12Å; F35-Y44 HydrophobicContact CD1-CE1 4.34Å
36	L	42.8	Very low	53.4	Low	42 Å²	42	92.2 Å²	92.2	22%	0.22	48%	0.479	C	S	.	.			trans	85.1	48	176.7	-33	178.2	0	0	0	114.3	V33 S80 L140	V33-L36 HydrophobicContact CG1-CD1 4.48Å; V33-L36 HydrophobicContact CG1-CG 4.24Å; L36-S80 WeakPolarHBondContact CD2-OG 3.23Å; L36-L140 HydrophobicContact CD1-CD1 3.19Å; L36-L140 HydrophobicContact CD1-CD2 4.21Å; L36-L140 HydrophobicContact CD1-CG 4.32Å
37	D	42.1	Very low	54.5	Low	126 Å²	126	97.1 Å²	97.1	67%	0.674	51%	0.511	S	S	*	.	S	Bend	trans	-69	146.1	130.4	-108	-21.7	0	0	0	108.4	K39	D37-K39 VanDerWaalsContact C-N 3.26Å; D37-K39 PolarHBondContact O-N 3.29Å
38	H	48.8	Very low	55.7	Low	143 Å²	143	94.5 Å²	94.5	66%	0.662	50%	0.496	S	S	*	.	S	Bend	trans	-48.4	71	-177.6	-58.8	-86.2	0	0	0	115.3	S81	H38-S81 PolarHBondContact ND1-OG 3.1Å
39	K	50.3	Low	56.7	Low	108 Å²	108	87.9 Å²	87.9	47%	0.47	47%	0.468	S	S	.	.			trans	-127.9	137.9	-175.1	-68.1	-174.8	179.3	178.1	0	111	D37 Y44	D37-K39 VanDerWaalsContact C-N 3.26Å; D37-K39 PolarHBondContact O-N 3.29Å; K39-Y44 HydrophobicContact CB-CE2 3.98Å; K39-Y44 HydrophobicContact CD-CE2 4.34Å
40	D	60.3	Low	58.1	Low	94 Å²	94	88.6 Å²	88.6	50%	0.503	47%	0.469	S	S	.	.			trans	-61.6	136.6	-179.8	-77.6	-35.5	0	0	0	111.8	E42 S43 S79	D40-E42 PolarHBondContact O-N 3.01Å; D40-E42 VanDerWaalsContact O-N 3.11Å; D40-S43 PolarHBondContact O-N 2.8Å; D40-S43 PolarHBondContact O-OG 3.21Å; D40-S79 PolarHBondContact OD1-OG 2.9Å; D40-S79 VanDerWaalsContact OD1-OG 3.05Å
41	F	65.4	Low	59.6	Low	7 Å²	7	89 Å²	89	3%	0.031	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-61.6	-19.7	-179.6	-84.9	-122.1	0	0	0	112.4	S43 Y44 I49 I52 K53 L78 S79 I142	F41-S43 PolarHBondContact O-N 3.17Å; F41-Y44 PolarHBondContact O-N 3.46Å; F41-I49 HydrophobicContact CD1-CD1 3.67Å; F41-I49 HydrophobicContact CD1-CG2 3.77Å; F41-I49 HydrophobicContact CE1-CD1 3.27Å; F41-I49 HydrophobicContact CE1-CG2 4.43Å; F41-I49 HydrophobicContact CZ-CD1 3.98Å; F41-I52 HydrophobicContact CE1-CD1 4.23Å; F41-I52 HydrophobicContact CE1-CG2 4.21Å; F41-K53 WeakPolarHBondContact O-CE 3.29Å; F41-K53 PolarHBondContact O-NZ 3.45Å; F41-L78 HydrophobicContact CB-CB 4.25Å; F41-L78 HydrophobicContact CB-CD2 4.05Å; F41-L78 HydrophobicContact CB-CG 4.31Å; F41-L78 WeakPolarHBondContact CB-O 3.29Å; F41-L78 HydrophobicContact CD1-CD2 3.45Å; F41-L78 VanDerWaalsContact CD1-CD2 3.45Å; F41-L78 HydrophobicContact CD1-CG 4.08Å; F41-L78 HydrophobicContact CD2-CD2 4.42Å; F41-L78 HydrophobicContact CD2-CG 4.18Å; F41-L78 WeakPolarHBondContact CD2-O 3.4Å; F41-L78 HydrophobicContact CE1-CD2 4Å; F41-L78 HydrophobicContact CG-CB 4.37Å; F41-L78 HydrophobicContact CG-CD2 3.72Å; F41-L78 HydrophobicContact CG-CG 3.93Å; F41-L78 PolarHBondContact N-O 3.11Å; F41-S79 VanDerWaalsContact CE2-C 3.48Å; F41-I142 HydrophobicContact CE1-CD1 4.45Å; F41-I142 HydrophobicContact CZ-CD1 4.16Å; F41-I142 HydrophobicContact CZ-CG1 4.09Å
42	E	66.1	Low	61.3	Low	157 Å²	157	82 Å²	82	73%	0.734	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-55.9	-33	176.5	-76.4	-173.7	165.9	0	0	112.8	D40	D40-E42 PolarHBondContact O-N 3.01Å; D40-E42 VanDerWaalsContact O-N 3.11Å
43	S	66	Low	63.3	Low	86 Å²	86	77.1 Å²	77.1	60%	0.601	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-83.8	-10.4	-175	63	0	0	0	0	115	D40 F41	D40-S43 PolarHBondContact O-N 2.8Å; D40-S43 PolarHBondContact O-OG 3.21Å; F41-S43 PolarHBondContact O-N 3.17Å
44	Y	64.6	Low	65.4	Low	90 Å²	90	82 Å²	82	35%	0.353	43%	0.425	S	S	.	.			trans	-117	138.4	-176	-68.6	-83.6	0	0	0	111.6	F35 K39 F41 I49 K53	F35-Y44 HydrophobicContact CD1-CE1 4.34Å; K39-Y44 HydrophobicContact CB-CE2 3.98Å; K39-Y44 HydrophobicContact CD-CE2 4.34Å; F41-Y44 PolarHBondContact O-N 3.46Å; Y44-I49 VanDerWaalsContact O-CG2 3.32Å; Y44-I49 WeakPolarHBondContact O-CG2 3.01Å; Y44-K53 PolarHBondContact O-NZ 3.48Å
45	S	69.6	Low	67.6	Low	99 Å²	99	73.9 Å²	73.9	69%	0.692	38%	0.381	S	S	*	.			trans	-137.5	70.7	-178.7	171.7	0	0	0	0	110
46	T	76.2	Confident	69.8	Low	49 Å²	49	69.1 Å²	69.1	30%	0.301	36%	0.36	S	S	.	.			trans	-93.6	156.8	162.3	66.2	0	0	0	0	109.1	F48 I49 E50	T46-F48 PolarHBondContact O-N 3.33Å; T46-I49 PolarHBondContact O-N 3.39Å; T46-I49 VanDerWaalsContact O-N 3.09Å; T46-I49 VanDerWaalsContact OG1-CG1 3.26Å; T46-I49 WeakPolarHBondContact OG1-CG1 2.97Å; T46-I49 PolarHBondContact OG1-N 3.01Å; T46-E50 WeakPolarHBondContact O-CG 3.49Å; T46-E50 PolarHBondContact O-N 2.63Å
47	P	76.7	Confident	72	Confident	106 Å²	106	70.1 Å²	70.1	69%	0.688	36%	0.361	S	S	*	.	H	α-helix	trans	-52.1	-32.4	173.2	-25.7	34.4	0	0	0	112.3	T51	P47-T51 PolarHBondContact O-N 3.24Å; P47-T51 VanDerWaalsContact O-N 3.13Å; P47-T51 PolarHBondContact O-OG1 3.47Å
48	F	75.5	Confident	74.3	Confident	20 Å²	20	65.2 Å²	65.2	9%	0.088	34%	0.341	C	S	.	.	H	α-helix	trans	-60.3	-60.1	174.2	-173.8	-107.2	0	0	0	113.2	F25 I26 D29 V30 T46 E50 T51 I52	F25-F48 AromaticContact CD1-CD2 3.63Å; F25-F48 HydrophobicContact CD1-CD2 3.63Å; F25-F48 AromaticContact CD1-CE2 3.82Å; F25-F48 HydrophobicContact CD1-CE2 3.82Å; F25-F48 VanDerWaalsContact CE1-CA 3.47Å; F25-F48 HydrophobicContact CE1-CB 4.11Å; F25-F48 AromaticContact CE1-CD2 3.16Å; F25-F48 HydrophobicContact CE1-CD2 3.16Å; F25-F48 AromaticContact CE1-CE2 3.83Å; F25-F48 HydrophobicContact CE1-CE2 3.83Å; F25-F48 AromaticContact CE1-CG 3.96Å; F25-F48 HydrophobicContact CE1-CG 3.96Å; F25-F48 VanDerWaalsContact CZ-CA 3.49Å; F25-F48 HydrophobicContact CZ-CB 4.15Å; F25-F48 AromaticContact CZ-CD2 3.77Å; F25-F48 HydrophobicContact CZ-CD2 3.77Å; F25-F48 HydrophobicContact CZ-CG 4.42Å; I26-F48 HydrophobicContact CD1-CE1 4.4Å; I26-F48 HydrophobicContact CD1-CE2 3.79Å; I26-F48 HydrophobicContact CD1-CZ 3.4Å; I26-F48 VanDerWaalsContact CD1-CZ 3.4Å; D29-F48 HydrophobicContact CB-CB 4.5Å; D29-F48 HydrophobicContact CB-CD2 3.36Å; D29-F48 HydrophobicContact CB-CE2 3.63Å; D29-F48 HydrophobicContact CB-CG 4.01Å; D29-F48 HydrophobicContact CB-CZ 4.42Å; D29-F48 WeakPolarHBondContact OD2-CD2 3.21Å; V30-F48 HydrophobicContact CG2-CZ 4.39Å; T46-F48 PolarHBondContact O-N 3.33Å; F48-E50 VanDerWaalsContact C-N 3.28Å; F48-E50 PolarHBondContact O-N 2.77Å; F48-T51 WeakPolarHBondContact O-CB 3.49Å; F48-T51 PolarHBondContact O-N 2.82Å; F48-T51 VanDerWaalsContact O-N 3.11Å; F48-I52 HydrophobicContact CD1-CD1 3.72Å; F48-I52 HydrophobicContact CE1-CD1 3.29Å; F48-I52 HydrophobicContact CE1-CG1 4.4Å; F48-I52 HydrophobicContact CE2-CD1 4.39Å; F48-I52 HydrophobicContact CG-CD1 4.46Å; F48-I52 HydrophobicContact CZ-CD1 3.69Å; F48-I52 WeakPolarHBondContact O-CG1 2.92Å; F48-I52 PolarHBondContact O-N 2.69Å; F48-I52 VanDerWaalsContact O-N 3.11Å
49	I	75.3	Confident	75.9	Confident	19 Å²	19	62.1 Å²	62.1	10%	0.097	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-38.8	-178.6	-66	-66.1	0	0	0	111.3	F41 Y44 T46 T51 I52 K53	F41-I49 HydrophobicContact CD1-CD1 3.67Å; F41-I49 HydrophobicContact CD1-CG2 3.77Å; F41-I49 HydrophobicContact CE1-CD1 3.27Å; F41-I49 HydrophobicContact CE1-CG2 4.43Å; F41-I49 HydrophobicContact CZ-CD1 3.98Å; Y44-I49 VanDerWaalsContact O-CG2 3.32Å; Y44-I49 WeakPolarHBondContact O-CG2 3.01Å; T46-I49 PolarHBondContact O-N 3.39Å; T46-I49 VanDerWaalsContact O-N 3.09Å; T46-I49 VanDerWaalsContact OG1-CG1 3.26Å; T46-I49 WeakPolarHBondContact OG1-CG1 2.97Å; T46-I49 PolarHBondContact OG1-N 3.01Å; I49-T51 VanDerWaalsContact C-N 3.33Å; I49-T51 PolarHBondContact O-N 3.31Å; I49-I52 WeakPolarHBondContact O-CB 2.98Å; I49-I52 PolarHBondContact O-N 2.94Å; I49-K53 HydrophobicContact CG2-CD 4.33Å; I49-K53 WeakPolarHBondContact O-CG 3.22Å; I49-K53 PolarHBondContact O-N 3.31Å
50	E	81.7	Confident	77.4	Confident	62 Å²	62	57.4 Å²	57.4	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-66.3	-33.9	177.3	-69.7	-54.6	127.3	0	0	112.8	T46 F48 K53 K54	T46-E50 WeakPolarHBondContact O-CG 3.49Å; T46-E50 PolarHBondContact O-N 2.63Å; F48-E50 VanDerWaalsContact C-N 3.28Å; F48-E50 PolarHBondContact O-N 2.77Å; E50-K53 IonicContact OE1-NZ 2.62Å; E50-K53 PolarHBondContact OE1-NZ 2.94Å; E50-K54 WeakPolarHBondContact O-CB 3.23Å; E50-K54 WeakPolarHBondContact O-CG 2.78Å; E50-K54 PolarHBondContact O-N 3.21Å
51	T	82.3	Confident	78.8	Confident	55 Å²	55	55 Å²	55	34%	0.337	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-40.9	173.8	-57.6	0	0	0	0	111	F22 F25 P47 F48 I49 K54 F55	F22-T51 HydrophobicContact CD2-CG2 4.24Å; F25-T51 HydrophobicContact CD1-CG2 3.85Å; F25-T51 VanDerWaalsContact CE1-CB 3.45Å; F25-T51 HydrophobicContact CE1-CG2 3.79Å; F25-T51 HydrophobicContact CG-CG2 4.5Å; F25-T51 HydrophobicContact CZ-CG2 4.46Å; P47-T51 PolarHBondContact O-N 3.24Å; P47-T51 VanDerWaalsContact O-N 3.13Å; P47-T51 PolarHBondContact O-OG1 3.47Å; F48-T51 WeakPolarHBondContact O-CB 3.49Å; F48-T51 PolarHBondContact O-N 2.82Å; F48-T51 VanDerWaalsContact O-N 3.11Å; I49-T51 VanDerWaalsContact C-N 3.33Å; I49-T51 PolarHBondContact O-N 3.31Å; T51-K54 PolarHBondContact O-N 2.96Å; T51-F55 WeakPolarHBondContact O-CB 3.49Å; T51-F55 PolarHBondContact O-N 3.33Å
52	I	79.4	Confident	79.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-50.3	173.8	-61.3	174.9	0	0	0	110.7	F22 I26 F41 F48 I49 K54 F55 F56 L78 I142	F22-I52 HydrophobicContact CE2-CB 4.14Å; F22-I52 HydrophobicContact CE2-CG1 3.62Å; F22-I52 HydrophobicContact CZ-CB 4.23Å; F22-I52 HydrophobicContact CZ-CG1 3.71Å; F22-I52 HydrophobicContact CZ-CG2 4.25Å; I26-I52 HydrophobicContact CD1-CD1 4.01Å; I26-I52 HydrophobicContact CD1-CG1 4.2Å; F41-I52 HydrophobicContact CE1-CD1 4.23Å; F41-I52 HydrophobicContact CE1-CG2 4.21Å; F48-I52 HydrophobicContact CD1-CD1 3.72Å; F48-I52 HydrophobicContact CE1-CD1 3.29Å; F48-I52 HydrophobicContact CE1-CG1 4.4Å; F48-I52 HydrophobicContact CE2-CD1 4.39Å; F48-I52 HydrophobicContact CG-CD1 4.46Å; F48-I52 HydrophobicContact CZ-CD1 3.69Å; F48-I52 WeakPolarHBondContact O-CG1 2.92Å; F48-I52 PolarHBondContact O-N 2.69Å; F48-I52 VanDerWaalsContact O-N 3.11Å; I49-I52 WeakPolarHBondContact O-CB 2.98Å; I49-I52 PolarHBondContact O-N 2.94Å; I52-K54 PolarHBondContact O-N 3.46Å; I52-F55 PolarHBondContact O-N 2.86Å; I52-F55 VanDerWaalsContact O-N 3.16Å; I52-F56 HydrophobicContact CG2-CD2 3.69Å; I52-F56 HydrophobicContact CG2-CE2 3.93Å; I52-F56 WeakPolarHBondContact O-CD2 3.39Å; I52-F56 PolarHBondContact O-N 3.29Å; I52-L78 HydrophobicContact CG2-CD2 3.8Å; I52-I142 HydrophobicContact CD1-CD1 3.71Å; I52-I142 HydrophobicContact CG2-CD1 4.08Å
53	K	84.8	Confident	80.6	Confident	22 Å²	22	54.5 Å²	54.5	10%	0.096	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-50	177.2	-72.3	175.8	-174.1	165.4	0	111.2	F41 Y44 I49 E50 F55 F56 Y57 L78	F41-K53 WeakPolarHBondContact O-CE 3.29Å; F41-K53 PolarHBondContact O-NZ 3.45Å; Y44-K53 PolarHBondContact O-NZ 3.48Å; I49-K53 HydrophobicContact CG2-CD 4.33Å; I49-K53 WeakPolarHBondContact O-CG 3.22Å; I49-K53 PolarHBondContact O-N 3.31Å; E50-K53 IonicContact OE1-NZ 2.62Å; E50-K53 PolarHBondContact OE1-NZ 2.94Å; K53-F55 VanDerWaalsContact C-N 3.26Å; K53-F55 PolarHBondContact O-N 2.91Å; K53-F56 PolarHBondContact O-N 3.13Å; K53-Y57 HydrophobicContact CB-CD2 4.18Å; K53-Y57 HydrophobicContact CB-CE2 4.07Å; K53-Y57 HydrophobicContact CD-CE2 4.37Å; K53-Y57 HydrophobicContact CG-CE2 4.08Å; K53-Y57 WeakPolarHBondContact O-CB 3.47Å; K53-Y57 WeakPolarHBondContact O-CD1 3.42Å; K53-Y57 PolarHBondContact O-N 3.16Å; K53-L78 HydrophobicContact CG-CD2 4.36Å
54	K	86.3	Confident	81.1	Confident	155 Å²	155	50.6 Å²	50.6	67%	0.674	26%	0.261	S	S	*	.	H	α-helix	trans	-57.3	-39.5	178	-78.8	178.2	180	178.6	0	113	E50 T51 I52 G58	E50-K54 WeakPolarHBondContact O-CB 3.23Å; E50-K54 WeakPolarHBondContact O-CG 2.78Å; E50-K54 PolarHBondContact O-N 3.21Å; T51-K54 PolarHBondContact O-N 2.96Å; I52-K54 PolarHBondContact O-N 3.46Å; K54-G58 PolarHBondContact O-N 3.41Å
55	F	84.5	Confident	81.8	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.026	25%	0.254	C	S	.	.	I	π-helix	trans	-66.5	-51.2	178.5	-175.8	-116	0	0	0	111.5	L15 C19 F22 T51 I52 K53 Q59 V60 F211	L15-F55 HydrophobicContact CD1-CE2 4.2Å; C19-F55 VanDerWaalsContact SG-CZ 3.59Å; F22-F55 AromaticContact CD1-CD1 3.81Å; F22-F55 HydrophobicContact CD1-CD1 3.81Å; F22-F55 AromaticContact CD1-CE1 3.84Å; F22-F55 HydrophobicContact CD1-CE1 3.84Å; F22-F55 HydrophobicContact CD1-CG 4.42Å; F22-F55 HydrophobicContact CD1-CZ 4.48Å; F22-F55 HydrophobicContact CD2-CB 4.08Å; F22-F55 HydrophobicContact CD2-CD1 4.18Å; F22-F55 HydrophobicContact CD2-CG 4.09Å; F22-F55 AromaticContact CE1-CD1 3.78Å; F22-F55 HydrophobicContact CE1-CD1 3.78Å; F22-F55 HydrophobicContact CE1-CE1 4.03Å; F22-F55 HydrophobicContact CE2-CB 4.08Å; F22-F55 HydrophobicContact CE2-CD1 4.17Å; F22-F55 HydrophobicContact CE2-CG 4.32Å; F22-F55 AromaticContact CG-CD1 3.99Å; F22-F55 HydrophobicContact CG-CD1 3.99Å; F22-F55 HydrophobicContact CG-CE1 4.28Å; F22-F55 HydrophobicContact CG-CG 4.13Å; F22-F55 AromaticContact CZ-CD1 3.95Å; F22-F55 HydrophobicContact CZ-CD1 3.95Å; T51-F55 WeakPolarHBondContact O-CB 3.49Å; T51-F55 PolarHBondContact O-N 3.33Å; I52-F55 PolarHBondContact O-N 2.86Å; I52-F55 VanDerWaalsContact O-N 3.16Å; K53-F55 VanDerWaalsContact C-N 3.26Å; K53-F55 PolarHBondContact O-N 2.91Å; F55-Q59 HydrophobicContact CD2-CB 4.37Å; F55-Q59 PolarHBondContact O-N 2.95Å; F55-V60 HydrophobicContact CD1-CG2 3.69Å; F55-V60 HydrophobicContact CD2-CG2 4.11Å; F55-V60 HydrophobicContact CE1-CG2 3.35Å; F55-V60 HydrophobicContact CE2-CG2 3.8Å; F55-V60 HydrophobicContact CG-CG2 4.06Å; F55-V60 HydrophobicContact CZ-CG2 3.4Å; F55-V60 VanDerWaalsContact CZ-CG2 3.4Å; F55-V60 WeakPolarHBondContact O-CG2 3.22Å; F55-V60 PolarHBondContact O-N 3.17Å; F55-F211 HydrophobicContact CE1-CE1 4.06Å; F55-F211 HydrophobicContact CE1-CZ 4.34Å
56	F	86.2	Confident	82.2	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.022	26%	0.257	C	S	.	.	I	π-helix	trans	-73.2	-39.1	-177.7	-80	-81.4	0	0	0	113.5	F22 I52 K53 V60 R61 L78 F103 L105 I142 Y146	F22-F56 HydrophobicContact CE1-CE2 4.49Å; F22-F56 HydrophobicContact CZ-CE2 4.25Å; I52-F56 HydrophobicContact CG2-CD2 3.69Å; I52-F56 HydrophobicContact CG2-CE2 3.93Å; I52-F56 WeakPolarHBondContact O-CD2 3.39Å; I52-F56 PolarHBondContact O-N 3.29Å; K53-F56 PolarHBondContact O-N 3.13Å; F56-V60 HydrophobicContact CD1-CG1 4.4Å; F56-R61 PolarHBondContact O-N 3.13Å; F56-L78 HydrophobicContact CB-CD1 4.47Å; F56-L78 HydrophobicContact CD2-CD1 4.19Å; F56-L78 HydrophobicContact CG-CD1 4.17Å; F56-F103 AromaticContact CD1-CD2 3.88Å; F56-F103 HydrophobicContact CD1-CD2 3.88Å; F56-F103 AromaticContact CD1-CE2 3.51Å; F56-F103 HydrophobicContact CD1-CE2 3.51Å; F56-F103 AromaticContact CD1-CZ 3.91Å; F56-F103 HydrophobicContact CD1-CZ 3.91Å; F56-F103 AromaticContact CE1-CD2 3.5Å; F56-F103 HydrophobicContact CE1-CD2 3.5Å; F56-F103 VanDerWaalsContact CE1-CD2 3.5Å; F56-F103 AromaticContact CE1-CE2 3.48Å; F56-F103 HydrophobicContact CE1-CE2 3.48Å; F56-F103 VanDerWaalsContact CE1-CE2 3.48Å; F56-F103 HydrophobicContact CE1-CG 4.37Å; F56-F103 HydrophobicContact CE1-CZ 4.34Å; F56-F103 HydrophobicContact CG-CE2 4.26Å; F56-F103 HydrophobicContact CZ-CD2 4.33Å; F56-F103 HydrophobicContact CZ-CE2 4.2Å; F56-L105 HydrophobicContact CE2-CD2 4.07Å; F56-L105 HydrophobicContact CZ-CB 4.07Å; F56-L105 HydrophobicContact CZ-CD2 3.91Å; F56-I142 HydrophobicContact CE2-CG2 4.47Å; F56-Y146 VanDerWaalsContact O-CE1 3.25Å; F56-Y146 WeakPolarHBondContact O-CE1 3.11Å; F56-Y146 PolarHBondContact O-OH 2.96Å
57	Y	90.8	Very high	82.2	Confident	63 Å²	63	50.8 Å²	50.8	25%	0.247	26%	0.255	C	S	.	.	I	π-helix	trans	-80	-27	-173.6	-61.9	5.7	0	0	0	112.1	K53 R61 V76 L78	K53-Y57 HydrophobicContact CB-CD2 4.18Å; K53-Y57 HydrophobicContact CB-CE2 4.07Å; K53-Y57 HydrophobicContact CD-CE2 4.37Å; K53-Y57 HydrophobicContact CG-CE2 4.08Å; K53-Y57 WeakPolarHBondContact O-CB 3.47Å; K53-Y57 WeakPolarHBondContact O-CD1 3.42Å; K53-Y57 PolarHBondContact O-N 3.16Å; Y57-R61 WeakPolarHBondContact O-CB 3.36Å; Y57-R61 PolarHBondContact O-NE 3.23Å; Y57-R61 VanDerWaalsContact O-NE 3.07Å; Y57-V76 HydrophobicContact CD1-CB 3.46Å; Y57-V76 VanDerWaalsContact CD1-CB 3.46Å; Y57-V76 HydrophobicContact CD1-CG1 3.76Å; Y57-V76 HydrophobicContact CD1-CG2 3.86Å; Y57-V76 HydrophobicContact CE1-CB 3.57Å; Y57-V76 HydrophobicContact CE1-CG1 3.77Å; Y57-V76 HydrophobicContact CE1-CG2 4.46Å; Y57-V76 HydrophobicContact CG-CB 4.25Å; Y57-V76 HydrophobicContact CG-CG2 4.31Å; Y57-L78 HydrophobicContact CE1-CB 4.08Å; Y57-L78 HydrophobicContact CE1-CD2 4.27Å
58	G	88.7	Confident	82.1	Confident	24 Å²	24	47.4 Å²	47.4	25%	0.247	23%	0.233	C	C	.	.	I	π-helix	trans	-103.8	-90.8	177.1	0	0	0	0	0	111.7	K54 V60 R61 D62	K54-G58 PolarHBondContact O-N 3.41Å; G58-V60 PolarHBondContact O-N 3.41Å; G58-R61 WeakPolarHBondContact O-CB 3.38Å; G58-R61 PolarHBondContact O-N 3.41Å; G58-D62 PolarHBondContact O-N 3.39Å
59	Q	82.7	Confident	82.2	Confident	77 Å²	77	49.8 Å²	49.8	36%	0.36	26%	0.262	S	S	.	.	I	π-helix	trans	-56.2	-46.7	-164.5	-59.7	-172.6	62.9	0	0	113.6	L15 S18 F55 W63	L15-Q59 HydrophobicContact CD1-CB 3.98Å; S18-Q59 PolarHBondContact OG-NE2 3.17Å; S18-Q59 PolarHBondContact OG-OE1 2.88Å; F55-Q59 HydrophobicContact CD2-CB 4.37Å; F55-Q59 PolarHBondContact O-N 2.95Å; Q59-W63 VanDerWaalsContact O-CB 3.26Å; Q59-W63 WeakPolarHBondContact O-CB 3.32Å; Q59-W63 PolarHBondContact O-N 2.88Å; Q59-W63 VanDerWaalsContact O-N 3.11Å
60	V	83	Confident	82.5	Confident	9 Å²	9	50 Å²	50	6%	0.055	26%	0.264	C	S	.	.	I	π-helix	trans	-70.5	-40	-179.5	-179.5	0	0	0	0	110.5	F55 F56 G58 W63 I64 Y146	F55-V60 HydrophobicContact CD1-CG2 3.69Å; F55-V60 HydrophobicContact CD2-CG2 4.11Å; F55-V60 HydrophobicContact CE1-CG2 3.35Å; F55-V60 HydrophobicContact CE2-CG2 3.8Å; F55-V60 HydrophobicContact CG-CG2 4.06Å; F55-V60 HydrophobicContact CZ-CG2 3.4Å; F55-V60 VanDerWaalsContact CZ-CG2 3.4Å; F55-V60 WeakPolarHBondContact O-CG2 3.22Å; F55-V60 PolarHBondContact O-N 3.17Å; F56-V60 HydrophobicContact CD1-CG1 4.4Å; G58-V60 PolarHBondContact O-N 3.41Å; V60-W63 PolarHBondContact O-N 3.42Å; V60-I64 HydrophobicContact CG1-CD1 3.59Å; V60-I64 HydrophobicContact CG1-CG1 4.13Å; V60-I64 WeakPolarHBondContact O-CB 3.45Å; V60-I64 WeakPolarHBondContact O-CD1 3.23Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.47Å; V60-Y146 WeakPolarHBondContact CB-OH 3.3Å; V60-Y146 VanDerWaalsContact CG1-OH 3.23Å; V60-Y146 WeakPolarHBondContact CG1-OH 3.39Å
61	R	88.2	Confident	82.7	Confident	43 Å²	43	54.9 Å²	54.9	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-53	176.5	-171.2	-174.6	63	80.9	11.8	111.6	F56 Y57 G58 W63 I64 S65 L72 D73 Y146	F56-R61 PolarHBondContact O-N 3.13Å; Y57-R61 WeakPolarHBondContact O-CB 3.36Å; Y57-R61 PolarHBondContact O-NE 3.23Å; Y57-R61 VanDerWaalsContact O-NE 3.07Å; G58-R61 WeakPolarHBondContact O-CB 3.38Å; G58-R61 PolarHBondContact O-N 3.41Å; R61-W63 VanDerWaalsContact C-N 3.32Å; R61-W63 PolarHBondContact O-N 2.81Å; R61-I64 PolarHBondContact O-N 2.85Å; R61-S65 WeakPolarHBondContact O-CB 3.3Å; R61-S65 PolarHBondContact O-N 3.11Å; R61-L72 HydrophobicContact CG-CB 4.02Å; R61-L72 HydrophobicContact CG-CD1 4.02Å; R61-L72 PolarHBondContact NH1-O 3.08Å; R61-L72 VanDerWaalsContact NH1-O 3.12Å; R61-D73 WeakPolarHBondContact CD-O 2.97Å; R61-Y146 HydrophobicContact CB-CD1 4.08Å; R61-Y146 HydrophobicContact CB-CE1 3.56Å; R61-Y146 HydrophobicContact CG-CD1 3.78Å; R61-Y146 HydrophobicContact CG-CE1 3.81Å
62	D	86.1	Confident	83	Confident	86 Å²	86	52.6 Å²	52.6	46%	0.46	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-45.4	-176.9	-70.2	-31.2	0	0	0	110.6	G58 I64 S65 E66	G58-D62 PolarHBondContact O-N 3.39Å; D62-I64 PolarHBondContact O-N 3.49Å; D62-S65 PolarHBondContact O-N 3.49Å; D62-E66 PolarHBondContact O-N 3.12Å
63	W	83.4	Confident	83.6	Confident	68 Å²	68	55.8 Å²	55.8	26%	0.258	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-39	177.6	179.4	65.2	0	0	0	112.7	L15 Q59 V60 R61 E66 L67 F212	L15-W63 HydrophobicContact CD2-CB 4.03Å; L15-W63 HydrophobicContact CD2-CD2 3.36Å; L15-W63 HydrophobicContact CD2-CE3 3.58Å; L15-W63 HydrophobicContact CD2-CG 3.5Å; L15-W63 HydrophobicContact CD2-CZ2 4.46Å; L15-W63 HydrophobicContact CD2-CZ3 4.1Å; Q59-W63 VanDerWaalsContact O-CB 3.26Å; Q59-W63 WeakPolarHBondContact O-CB 3.32Å; Q59-W63 PolarHBondContact O-N 2.88Å; Q59-W63 VanDerWaalsContact O-N 3.11Å; V60-W63 PolarHBondContact O-N 3.42Å; R61-W63 VanDerWaalsContact C-N 3.32Å; R61-W63 PolarHBondContact O-N 2.81Å; W63-E66 PolarHBondContact O-N 2.93Å; W63-L67 HydrophobicContact CH2-CD2 4.08Å; W63-L67 HydrophobicContact CZ2-CD2 3.66Å; W63-L67 VanDerWaalsContact O-CB 3.23Å; W63-L67 WeakPolarHBondContact O-CB 3.49Å; W63-L67 PolarHBondContact O-N 3.43Å; W63-F212 HydrophobicContact CD2-CE2 4.27Å; W63-F212 AromaticContact CE3-CD2 3.78Å; W63-F212 HydrophobicContact CE3-CD2 3.78Å; W63-F212 AromaticContact CE3-CE2 3.3Å; W63-F212 HydrophobicContact CE3-CE2 3.3Å; W63-F212 HydrophobicContact CE3-CZ 4.13Å; W63-F212 HydrophobicContact CH2-CB 3.94Å; W63-F212 HydrophobicContact CH2-CD1 4.45Å; W63-F212 AromaticContact CH2-CD2 3.26Å; W63-F212 HydrophobicContact CH2-CD2 3.26Å; W63-F212 AromaticContact CH2-CE2 3.58Å; W63-F212 HydrophobicContact CH2-CE2 3.58Å; W63-F212 AromaticContact CH2-CG 3.65Å; W63-F212 HydrophobicContact CH2-CG 3.65Å; W63-F212 HydrophobicContact CH2-CZ 4.3Å; W63-F212 HydrophobicContact CZ2-CD2 4.41Å; W63-F212 HydrophobicContact CZ2-CE2 4.46Å; W63-F212 HydrophobicContact CZ3-CB 4.35Å; W63-F212 AromaticContact CZ3-CD2 2.91Å; W63-F212 HydrophobicContact CZ3-CD2 2.91Å; W63-F212 AromaticContact CZ3-CE2 2.96Å; W63-F212 HydrophobicContact CZ3-CE2 2.96Å; W63-F212 AromaticContact CZ3-CG 3.8Å; W63-F212 HydrophobicContact CZ3-CG 3.8Å; W63-F212 AromaticContact CZ3-CZ 3.97Å; W63-F212 HydrophobicContact CZ3-CZ 3.97Å
64	I	76.3	Confident	84	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-46.2	174	-68.6	161.1	0	0	0	110.8	V60 R61 D62 E66 L67 T68 L72 I101 Y146 F212	V60-I64 HydrophobicContact CG1-CD1 3.59Å; V60-I64 HydrophobicContact CG1-CG1 4.13Å; V60-I64 WeakPolarHBondContact O-CB 3.45Å; V60-I64 WeakPolarHBondContact O-CD1 3.23Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.47Å; R61-I64 PolarHBondContact O-N 2.85Å; D62-I64 PolarHBondContact O-N 3.49Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 3.42Å; I64-L67 PolarHBondContact O-N 3.19Å; I64-T68 HydrophobicContact CG2-CG2 4.04Å; I64-T68 WeakPolarHBondContact O-CB 3.42Å; I64-T68 WeakPolarHBondContact O-CG2 3.24Å; I64-T68 PolarHBondContact O-N 2.87Å; I64-T68 PolarHBondContact O-OG1 3.26Å; I64-L72 HydrophobicContact CB-CD1 3.99Å; I64-L72 HydrophobicContact CG2-CD1 3.74Å; I64-I101 HydrophobicContact CG2-CD1 3.18Å; I64-I101 HydrophobicContact CG2-CG1 4.47Å; I64-I101 HydrophobicContact CG2-CG2 4.42Å; I64-Y146 HydrophobicContact CD1-CD2 3.57Å; I64-Y146 HydrophobicContact CD1-CE1 4.45Å; I64-Y146 HydrophobicContact CD1-CE2 3.05Å; I64-Y146 HydrophobicContact CD1-CG 4.44Å; I64-F212 HydrophobicContact CB-CE2 4.25Å; I64-F212 HydrophobicContact CB-CZ 3.8Å; I64-F212 HydrophobicContact CD1-CE2 4.17Å; I64-F212 HydrophobicContact CD1-CZ 4.39Å; I64-F212 HydrophobicContact CG1-CD2 4.49Å; I64-F212 HydrophobicContact CG1-CE1 4.45Å; I64-F212 HydrophobicContact CG1-CE2 3.21Å; I64-F212 HydrophobicContact CG1-CZ 3.21Å; I64-F212 HydrophobicContact CG2-CZ 3.95Å
65	S	79.6	Confident	84.3	Confident	29 Å²	29	61.4 Å²	61.4	20%	0.203	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-45.1	-179.5	-170.6	0	0	0	0	110.8	R61 D62 G69 I70	R61-S65 WeakPolarHBondContact O-CB 3.3Å; R61-S65 PolarHBondContact O-N 3.11Å; D62-S65 PolarHBondContact O-N 3.49Å; S65-G69 VanDerWaalsContact O-CA 3.3Å; S65-G69 WeakPolarHBondContact O-CA 3.46Å; S65-G69 PolarHBondContact O-N 3.23Å; S65-I70 WeakPolarHBondContact CA-O 3.08Å; S65-I70 WeakPolarHBondContact CB-O 3.22Å; S65-I70 PolarHBondContact OG-O 3.45Å
66	E	79.2	Confident	84.5	Confident	161 Å²	161	61.4 Å²	61.4	75%	0.752	31%	0.31	S	S	*	.	H	α-helix	trans	-63.5	-46.9	175.6	-173.9	-176.9	-175.5	0	0	112.4	D62 W63 I64 T68	D62-E66 PolarHBondContact O-N 3.12Å; W63-E66 PolarHBondContact O-N 2.93Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 3.42Å; E66-T68 PolarHBondContact O-N 2.89Å
67	L	76.2	Confident	84.7	Confident	51 Å²	51	62.3 Å²	62.3	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-38	-175.3	178.7	58.5	0	0	0	112.7	W63 I64 F212	W63-L67 HydrophobicContact CH2-CD2 4.08Å; W63-L67 HydrophobicContact CZ2-CD2 3.66Å; W63-L67 VanDerWaalsContact O-CB 3.23Å; W63-L67 WeakPolarHBondContact O-CB 3.49Å; W63-L67 PolarHBondContact O-N 3.43Å; I64-L67 PolarHBondContact O-N 3.19Å; L67-F212 HydrophobicContact CD2-CD1 3.58Å; L67-F212 HydrophobicContact CD2-CE1 3.32Å; L67-F212 HydrophobicContact CD2-CE2 4.4Å; L67-F212 HydrophobicContact CD2-CG 4.2Å; L67-F212 HydrophobicContact CD2-CZ 3.69Å; L67-F212 HydrophobicContact CG-CE1 4.19Å
68	T	74	Confident	84.4	Confident	36 Å²	36	59.6 Å²	59.6	22%	0.221	31%	0.308	C	S	.	.	H	α-helix	trans	-91.4	-23.5	-176.6	61.9	0	0	0	0	113.1	I64 E66 I70 I101 F212 A215	I64-T68 HydrophobicContact CG2-CG2 4.04Å; I64-T68 WeakPolarHBondContact O-CB 3.42Å; I64-T68 WeakPolarHBondContact O-CG2 3.24Å; I64-T68 PolarHBondContact O-N 2.87Å; I64-T68 PolarHBondContact O-OG1 3.26Å; E66-T68 PolarHBondContact O-N 2.89Å; T68-I70 PolarHBondContact O-N 2.85Å; T68-I70 WeakPolarHBondContact OG1-CB 3.39Å; T68-I70 PolarHBondContact OG1-N 3.47Å; T68-I101 HydrophobicContact CG2-CD1 4.16Å; T68-F212 HydrophobicContact CG2-CE1 4.45Å; T68-A215 HydrophobicContact CG2-CB 4.5Å
69	G	78.4	Confident	84.1	Confident	69 Å²	69	59.4 Å²	59.4	71%	0.711	30%	0.303	S	S	*	.			trans	74.2	6.1	-169.8	0	0	0	0	0	113.9	S65	S65-G69 VanDerWaalsContact O-CA 3.3Å; S65-G69 WeakPolarHBondContact O-CA 3.46Å; S65-G69 PolarHBondContact O-N 3.23Å
70	I	80	Confident	84	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.128	29%	0.286	C	S	.	.			trans	-86.1	130.3	179	-63.9	173.8	0	0	0	108.6	S65 T68 L72 V100 I101	S65-I70 WeakPolarHBondContact CA-O 3.08Å; S65-I70 WeakPolarHBondContact CB-O 3.22Å; S65-I70 PolarHBondContact OG-O 3.45Å; T68-I70 PolarHBondContact O-N 2.85Å; T68-I70 WeakPolarHBondContact OG1-CB 3.39Å; T68-I70 PolarHBondContact OG1-N 3.47Å; I70-L72 HydrophobicContact CG2-CD2 3.81Å; I70-L72 PolarHBondContact O-N 2.98Å; I70-V100 HydrophobicContact CD1-CG1 4.27Å; I70-V100 HydrophobicContact CG2-CG1 3.59Å; I70-I101 HydrophobicContact CD1-CD1 4.26Å
71	R	86.5	Confident	83.8	Confident	163 Å²	163	55.8 Å²	55.8	62%	0.615	29%	0.286	S	S	*	.			trans	-75.1	113.8	172.5	-171.3	178.4	70.9	167.5	5.5	109.6	D149	R71-D149 IonicContact CZ-OD1 2.71Å; R71-D149 IonicContact CZ-OD2 3.11Å; R71-D149 IonicContact NE-OD1 2.93Å; R71-D149 IonicContact NE-OD2 3.09Å; R71-D149 PolarHBondContact NE-OD2 3.33Å; R71-D149 IonicContact NH2-OD1 2.75Å; R71-D149 PolarHBondContact NH2-OD1 3.19Å; R71-D149 IonicContact NH2-OD2 3.13Å; R71-D149 PolarHBondContact NH2-OD2 3.01Å
72	L	87.9	Confident	83.4	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.1	178.4	-60.1	179.4	0	0	0	111	R61 I64 I70 V100 I101 Y146 F147	R61-L72 HydrophobicContact CG-CB 4.02Å; R61-L72 HydrophobicContact CG-CD1 4.02Å; R61-L72 PolarHBondContact NH1-O 3.08Å; R61-L72 VanDerWaalsContact NH1-O 3.12Å; I64-L72 HydrophobicContact CB-CD1 3.99Å; I64-L72 HydrophobicContact CG2-CD1 3.74Å; I70-L72 HydrophobicContact CG2-CD2 3.81Å; I70-L72 PolarHBondContact O-N 2.98Å; L72-V100 HydrophobicContact CD2-CB 4.37Å; L72-V100 HydrophobicContact CD2-CG1 4.36Å; L72-I101 HydrophobicContact CD1-CD1 4.4Å; L72-I101 HydrophobicContact CD2-CD1 4.12Å; L72-I101 HydrophobicContact CD2-CG1 4.44Å; L72-Y146 HydrophobicContact CD1-CD1 4.15Å; L72-Y146 HydrophobicContact CD1-CG 3.99Å; L72-F147 CarbonylContact C-O 3.51Å; L72-F147 VanDerWaalsContact CA-O 3.29Å; L72-F147 WeakPolarHBondContact CA-O 3.16Å
73	D	93.8	Very high	82.8	Confident	67 Å²	67	55.7 Å²	55.7	36%	0.358	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	161.4	172.2	-65.1	-20	0	0	0	110.9	R61 K75 F147 G148	R61-D73 WeakPolarHBondContact CD-O 2.97Å; D73-K75 HydrophobicContact CB-CB 4.45Å; D73-K75 PolarHBondContact O-N 3.11Å; D73-F147 HydrophobicContact CB-CB 4.13Å; D73-F147 PolarHBondContact N-O 2.61Å; D73-G148 PolarHBondContact OD2-N 3.29Å
74	E	92.7	Very high	82.6	Confident	170 Å²	170	53 Å²	53	79%	0.794	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	-23.4	171.6	-63.5	-173.7	169.2	0	0	112.6	V76	E74-V76 PolarHBondContact O-N 2.62Å
75	K	91.8	Very high	82.7	Confident	125 Å²	125	56.6 Å²	56.6	54%	0.543	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	125.7	179.2	-176.4	-176.5	177.4	-174.8	0	110.3	D73 F147	D73-K75 HydrophobicContact CB-CB 4.45Å; D73-K75 PolarHBondContact O-N 3.11Å; K75-F147 HydrophobicContact CB-CB 4.16Å; K75-F147 HydrophobicContact CB-CD2 4.2Å; K75-F147 HydrophobicContact CB-CG 4.28Å; K75-F147 HydrophobicContact CD-CB 4.39Å; K75-F147 HydrophobicContact CD-CD1 3.95Å; K75-F147 HydrophobicContact CD-CD2 3.83Å; K75-F147 HydrophobicContact CD-CE1 4.19Å; K75-F147 HydrophobicContact CD-CE2 4.07Å; K75-F147 HydrophobicContact CD-CG 3.78Å; K75-F147 HydrophobicContact CD-CZ 4.25Å; K75-F147 HydrophobicContact CG-CB 4.45Å; K75-F147 HydrophobicContact CG-CD2 3.68Å; K75-F147 HydrophobicContact CG-CE2 4.08Å; K75-F147 HydrophobicContact CG-CG 4.01Å; K75-F147 WeakPolarHBondContact O-CD2 3.42Å; K75-F147 PolarHBondContact O-N 2.83Å
76	V	90.1	Very high	82.5	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.8	171.7	-174.7	0	0	0	0	107.8	Y57 E74 F103 Y146	Y57-V76 HydrophobicContact CD1-CB 3.46Å; Y57-V76 VanDerWaalsContact CD1-CB 3.46Å; Y57-V76 HydrophobicContact CD1-CG1 3.76Å; Y57-V76 HydrophobicContact CD1-CG2 3.86Å; Y57-V76 HydrophobicContact CE1-CB 3.57Å; Y57-V76 HydrophobicContact CE1-CG1 3.77Å; Y57-V76 HydrophobicContact CE1-CG2 4.46Å; Y57-V76 HydrophobicContact CG-CB 4.25Å; Y57-V76 HydrophobicContact CG-CG2 4.31Å; E74-V76 PolarHBondContact O-N 2.62Å; V76-F103 HydrophobicContact CG1-CE1 3.95Å; V76-F103 HydrophobicContact CG1-CZ 4.09Å; V76-Y146 HydrophobicContact CB-CD1 4.36Å; V76-Y146 HydrophobicContact CB-CE1 4.33Å; V76-Y146 HydrophobicContact CG1-CD1 4.02Å; V76-Y146 HydrophobicContact CG1-CE1 3.79Å; V76-Y146 HydrophobicContact CG2-CD1 3.54Å; V76-Y146 HydrophobicContact CG2-CE1 3.54Å
77	A	89.3	Confident	82.5	Confident	24 Å²	24	53.2 Å²	53.2	20%	0.198	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.5	168.5	0	0	0	0	0	108.3	G144 W145 F147	A77-G144 CarbonylContact O-C 3.6Å; A77-G144 WeakPolarHBondContact O-CA 3.27Å; A77-W145 HydrophobicContact CB-CE3 4.01Å; A77-W145 PolarHBondContact N-O 3.33Å; A77-W145 PolarHBondContact O-N 2.77Å; A77-F147 HydrophobicContact CB-CE2 3.67Å; A77-F147 HydrophobicContact CB-CZ 4.22Å
78	L	85.6	Confident	82.4	Confident	5 Å²	5	58 Å²	58	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	121.9	-178.6	-170.3	75.6	0	0	0	109.6	F41 I52 K53 F56 Y57 F103 I142	F41-L78 HydrophobicContact CB-CB 4.25Å; F41-L78 HydrophobicContact CB-CD2 4.05Å; F41-L78 HydrophobicContact CB-CG 4.31Å; F41-L78 WeakPolarHBondContact CB-O 3.29Å; F41-L78 HydrophobicContact CD1-CD2 3.45Å; F41-L78 VanDerWaalsContact CD1-CD2 3.45Å; F41-L78 HydrophobicContact CD1-CG 4.08Å; F41-L78 HydrophobicContact CD2-CD2 4.42Å; F41-L78 HydrophobicContact CD2-CG 4.18Å; F41-L78 WeakPolarHBondContact CD2-O 3.4Å; F41-L78 HydrophobicContact CE1-CD2 4Å; F41-L78 HydrophobicContact CG-CB 4.37Å; F41-L78 HydrophobicContact CG-CD2 3.72Å; F41-L78 HydrophobicContact CG-CG 3.93Å; F41-L78 PolarHBondContact N-O 3.11Å; I52-L78 HydrophobicContact CG2-CD2 3.8Å; K53-L78 HydrophobicContact CG-CD2 4.36Å; F56-L78 HydrophobicContact CB-CD1 4.47Å; F56-L78 HydrophobicContact CD2-CD1 4.19Å; F56-L78 HydrophobicContact CG-CD1 4.17Å; Y57-L78 HydrophobicContact CE1-CB 4.08Å; Y57-L78 HydrophobicContact CE1-CD2 4.27Å; L78-F103 HydrophobicContact CD1-CE2 3.53Å; L78-F103 HydrophobicContact CD1-CZ 3.54Å; L78-I142 HydrophobicContact CD1-CG2 3.42Å; L78-I142 VanDerWaalsContact CD1-CG2 3.42Å; L78-I142 HydrophobicContact CG-CG2 4.07Å
79	S	81.7	Confident	82.3	Confident	20 Å²	20	60.8 Å²	60.8	14%	0.14	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	168.5	-178.6	-47.3	0	0	0	0	109.4	D40 F41 I142 H143	D40-S79 PolarHBondContact OD1-OG 2.9Å; D40-S79 VanDerWaalsContact OD1-OG 3.05Å; F41-S79 VanDerWaalsContact CE2-C 3.48Å; S79-I142 CarbonylContact O-C 3.57Å; S79-I142 WeakPolarHBondContact O-CA 3.09Å; S79-H143 PolarHBondContact N-O 3.46Å; S79-H143 PolarHBondContact O-N 3.13Å
80	S	80.1	Confident	81.9	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.6	173.7	60.8	0	0	0	0	110.1	L36 S141	L36-S80 WeakPolarHBondContact CD2-OG 3.23Å; S80-S141 CarbonylContact C-O 3.58Å; S80-S141 VanDerWaalsContact CA-O 3.22Å; S80-S141 WeakPolarHBondContact CA-O 3.45Å; S80-S141 WeakPolarHBondContact CB-O 3.35Å
81	S	78.3	Confident	81.7	Confident	8 Å²	8	66 Å²	66	6%	0.056	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.5	174.1	-72.6	0	0	0	0	110.9	H38 S141 H143	H38-S81 PolarHBondContact ND1-OG 3.1Å; S81-S141 PolarHBondContact N-O 2.71Å; S81-S141 PolarHBondContact O-N 3.4Å; S81-H143 PolarHBondContact OG-CE1 3.46Å; S81-H143 VanDerWaalsContact OG-CE1 3.26Å
82	M	80.9	Confident	81	Confident	72 Å²	72	63.3 Å²	63.3	36%	0.355	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	106.7	175.8	-179.1	164.2	55.6	0	0	108.5	R138 K139	M82-R138 HydrophobicContact CG-CB 3.89Å; M82-R138 HydrophobicContact CG-CG 4.32Å; M82-R138 HydrophobicContact SD-CB 4.09Å; M82-R138 HydrophobicContact SD-CG 4.38Å; M82-K139 CarbonylContact C-O 3.55Å; M82-K139 WeakPolarHBondContact CA-O 3.44Å
83	Y	73.6	Confident	80.3	Confident	55 Å²	55	67.8 Å²	67.8	22%	0.216	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.5	178.7	-72.8	-104.8	0	0	0	109.4	D87 L89 R138 K139	Y83-D87 HydrophobicContact CD1-CB 3.69Å; Y83-D87 HydrophobicContact CG-CB 4.32Å; Y83-L89 HydrophobicContact CE1-CB 4.23Å; Y83-R138 CarbonylContact O-C 3.44Å; Y83-R138 VanDerWaalsContact O-CA 3.24Å; Y83-R138 WeakPolarHBondContact O-CA 3.4Å; Y83-K139 PolarHBondContact N-O 3.03Å; Y83-K139 PolarHBondContact O-N 3.25Å
84	G	77.8	Confident	79.6	Confident	11 Å²	11	66.9 Å²	66.9	11%	0.113	36%	0.355	C	S	.	.			trans	-85.6	178.2	172.3	0	0	0	0	0	113.5	G86 D87 T134	G84-G86 PolarHBondContact O-N 3.2Å; G84-D87 WeakPolarHBondContact CA-OD2 3.12Å; G84-D87 PolarHBondContact N-OD2 3.01Å; G84-D87 WeakPolarHBondContact O-CB 3.22Å; G84-D87 PolarHBondContact O-N 3.33Å; G84-T134 WeakPolarHBondContact O-CB 3.36Å
85	P	79.4	Confident	78.8	Confident	81 Å²	81	62.6 Å²	62.6	53%	0.526	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	128.1	175	-26.3	35.8	0	0	0	112.4	D87 T134	P85-D87 VanDerWaalsContact C-N 3.34Å; P85-T134 CarbonylContact C-O 3.52Å; P85-T134 VanDerWaalsContact CA-O 3.3Å; P85-T134 WeakPolarHBondContact CA-O 3.2Å
86	G	76.3	Confident	78.2	Confident	45 Å²	45	61.3 Å²	61.3	46%	0.464	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-14.8	-176.7	0	0	0	0	0	114.6	G84 Y88 T134	G84-G86 PolarHBondContact O-N 3.2Å; G86-Y88 WeakPolarHBondContact O-CD1 3.45Å; G86-T134 PolarHBondContact N-O 3.29Å
87	D	77.7	Confident	77.8	Confident	75 Å²	75	69.3 Å²	69.3	40%	0.401	37%	0.371	S	S	.	.			trans	-74.2	143.4	179.1	-64	-22.9	0	0	0	111.3	Y83 G84 P85 T134	Y83-D87 HydrophobicContact CD1-CB 3.69Å; Y83-D87 HydrophobicContact CG-CB 4.32Å; G84-D87 WeakPolarHBondContact CA-OD2 3.12Å; G84-D87 PolarHBondContact N-OD2 3.01Å; G84-D87 WeakPolarHBondContact O-CB 3.22Å; G84-D87 PolarHBondContact O-N 3.33Å; P85-D87 VanDerWaalsContact C-N 3.34Å; D87-T134 PolarHBondContact O-N 2.98Å; D87-T134 PolarHBondContact O-OG1 3.22Å
88	Y	74.4	Confident	77.6	Confident	150 Å²	150	68.8 Å²	68.8	59%	0.588	37%	0.368	S	S	*	.			trans	-148.4	157.7	178	59.2	-89	0	0	0	111.1	G86 L90	G86-Y88 WeakPolarHBondContact O-CD1 3.45Å; Y88-L90 HydrophobicContact CD2-CD2 3.79Å; Y88-L90 HydrophobicContact CD2-CG 4.09Å; Y88-L90 HydrophobicContact CE2-CD2 3.63Å; Y88-L90 HydrophobicContact CE2-CG 3.9Å
89	L	72.2	Confident	77.6	Confident	95 Å²	95	70.8 Å²	70.8	50%	0.497	38%	0.375	S	S	.	.			trans	-117.6	126.6	167.8	-176.1	58.8	0	0	0	108.2	Y83 H92	Y83-L89 HydrophobicContact CE1-CB 4.23Å; L89-H92 WeakPolarHBondContact CD2-CE1 3.4Å
90	L	71	Confident	77.8	Confident	119 Å²	119	69.9 Å²	69.9	62%	0.623	37%	0.369	S	S	*	.			trans	-71.7	161	-179.4	-66.1	176.9	0	0	0	111.4	Y88 H92	Y88-L90 HydrophobicContact CD2-CD2 3.79Å; Y88-L90 HydrophobicContact CD2-CG 4.09Å; Y88-L90 HydrophobicContact CE2-CD2 3.63Å; Y88-L90 HydrophobicContact CE2-CG 3.9Å; L90-H92 PolarHBondContact O-N 3.07Å; L90-H92 PolarHBondContact O-ND1 3.11Å
91	C	73.9	Confident	78	Confident	86 Å²	86	69.9 Å²	69.9	58%	0.581	37%	0.369	S	S	*	.			trans	-56.3	128.7	174.8	-177.7	0	0	0	0	111	F122	C91-F122 HydrophobicContact CB-CD2 4.3Å; C91-F122 HydrophobicContact CB-CE2 4.02Å; C91-F122 HydrophobicContact CB-CZ 4.31Å
92	H	72.6	Confident	78.3	Confident	106 Å²	106	69.9 Å²	69.9	49%	0.491	37%	0.369	S	S	.	.			trans	-152.9	167.5	176.6	60.5	-70.3	0	0	0	108.9	L89 L90 D94	L89-H92 WeakPolarHBondContact CD2-CE1 3.4Å; L90-H92 PolarHBondContact O-N 3.07Å; L90-H92 PolarHBondContact O-ND1 3.11Å; H92-D94 IonicContact CD2-OD1 3.75Å; H92-D94 PolarHBondContact CD2-OD1 2.72Å; H92-D94 VanDerWaalsContact CD2-OD1 3.23Å; H92-D94 IonicContact NE2-OD1 2.93Å; H92-D94 PolarHBondContact NE2-OD1 2.95Å
93	D	73	Confident	78.4	Confident	101 Å²	101	67.3 Å²	67.3	54%	0.54	36%	0.356	S	S	.	.			trans	-112.2	6.4	-176.3	57.5	9.7	0	0	0	113.7	Q95	D93-Q95 PolarHBondContact O-N 3.29Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.49Å; D93-Q95 PolarHBondContact OD1-N 3.23Å
94	D	80.1	Confident	78.8	Confident	47 Å²	47	66.9 Å²	66.9	25%	0.251	36%	0.359	S	S	.	.			trans	57.6	13.9	179.1	-101.7	-8.3	0	0	0	115.5	H92 L96 W145	H92-D94 IonicContact CD2-OD1 3.75Å; H92-D94 PolarHBondContact CD2-OD1 2.72Å; H92-D94 VanDerWaalsContact CD2-OD1 3.23Å; H92-D94 IonicContact NE2-OD1 2.93Å; H92-D94 PolarHBondContact NE2-OD1 2.95Å; D94-L96 PolarHBondContact O-N 3.47Å; D94-L96 VanDerWaalsContact O-N 3.11Å; D94-W145 VanDerWaalsContact CG-NE1 3.31Å; D94-W145 WeakPolarHBondContact OD1-CZ2 3.39Å; D94-W145 PolarHBondContact OD2-NE1 3.11Å
95	Q	74.6	Confident	78.9	Confident	81 Å²	81	67.2 Å²	67.2	38%	0.379	36%	0.358	S	S	.	.			trans	-70.2	107.9	-175.1	174.1	167.6	-10.8	0	0	111.4	D93 Y153	D93-Q95 PolarHBondContact O-N 3.29Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.49Å; D93-Q95 PolarHBondContact OD1-N 3.23Å; Q95-Y153 HydrophobicContact CB-CE1 4.41Å; Q95-Y153 HydrophobicContact CG-CD1 4.35Å; Q95-Y153 HydrophobicContact CG-CD2 4.09Å; Q95-Y153 HydrophobicContact CG-CE1 3.88Å; Q95-Y153 HydrophobicContact CG-CE2 3.55Å; Q95-Y153 HydrophobicContact CG-CG 4.44Å; Q95-Y153 VanDerWaalsContact CG-CZ 3.42Å; Q95-Y153 VanDerWaalsContact NE2-CE2 3.34Å
96	L	80.2	Confident	79	Confident	98 Å²	98	68 Å²	68	51%	0.513	35%	0.352	S	S	.	.			trans	-142.2	154.7	166	-81.5	167.4	0	0	0	109.7	D94 G98 R99	D94-L96 PolarHBondContact O-N 3.47Å; D94-L96 VanDerWaalsContact O-N 3.11Å; L96-G98 PolarHBondContact O-N 2.92Å; L96-R99 HydrophobicContact CB-CG 4.15Å; L96-R99 WeakPolarHBondContact O-CB 3.28Å; L96-R99 PolarHBondContact O-N 2.8Å; L96-R99 VanDerWaalsContact O-N 3.13Å
97	E	81.6	Confident	79	Confident	174 Å²	174	67.1 Å²	67.1	81%	0.813	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	133.4	-174.7	-169.9	173.8	-174.4	0	0	112.2	R99	E97-R99 PolarHBondContact O-N 2.89Å; E97-R99 VanDerWaalsContact O-N 3.16Å
98	G	84.5	Confident	79	Confident	14 Å²	14	65.3 Å²	65.3	14%	0.144	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-8.5	-179	0	0	0	0	0	115.1	L96 V100 F147 G148	L96-G98 PolarHBondContact O-N 2.92Å; G98-V100 PolarHBondContact O-N 3.29Å; G98-F147 VanDerWaalsContact C-CD1 3.46Å; G98-F147 CarbonylContact O-C 3.58Å; G98-F147 WeakPolarHBondContact O-CA 3.26Å; G98-F147 WeakPolarHBondContact O-CB 3.08Å; G98-F147 VanDerWaalsContact O-CD1 3.28Å; G98-F147 WeakPolarHBondContact O-CD1 3.41Å; G98-G148 PolarHBondContact O-N 3.1Å; G98-G148 VanDerWaalsContact O-N 3.13Å
99	R	86.6	Confident	79.1	Confident	46 Å²	46	65.3 Å²	65.3	17%	0.174	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.2	174	-65	-173.1	-180	-175.7	-7.5	109.7	L96 E97 W145 F147	L96-R99 HydrophobicContact CB-CG 4.15Å; L96-R99 WeakPolarHBondContact O-CB 3.28Å; L96-R99 PolarHBondContact O-N 2.8Å; L96-R99 VanDerWaalsContact O-N 3.13Å; E97-R99 PolarHBondContact O-N 2.89Å; E97-R99 VanDerWaalsContact O-N 3.16Å; R99-W145 HydrophobicContact CB-CB 4.24Å; R99-W145 HydrophobicContact CB-CG 4.32Å; R99-W145 VanDerWaalsContact CD-CG 3.44Å; R99-W145 HydrophobicContact CG-CB 3.9Å; R99-W145 HydrophobicContact CG-CG 3.96Å; R99-W145 VanDerWaalsContact CZ-CD2 3.4Å; R99-W145 VanDerWaalsContact NH1-CH2 3.31Å; R99-W145 VanDerWaalsContact NH2-CZ3 3.26Å; R99-F147 HydrophobicContact CG-CE1 3.91Å; R99-F147 HydrophobicContact CG-CZ 3.99Å
100	V	85.1	Confident	79.5	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-36	-175.7	-175	0	0	0	0	112.9	I70 L72 G98 Y146 I151 L218	I70-V100 HydrophobicContact CD1-CG1 4.27Å; I70-V100 HydrophobicContact CG2-CG1 3.59Å; L72-V100 HydrophobicContact CD2-CB 4.37Å; L72-V100 HydrophobicContact CD2-CG1 4.36Å; G98-V100 PolarHBondContact O-N 3.29Å; V100-Y146 PolarHBondContact N-O 2.85Å; V100-I151 HydrophobicContact CB-CD1 4.42Å; V100-I151 HydrophobicContact CG1-CD1 4.15Å; V100-I151 HydrophobicContact CG2-CD1 4.41Å; V100-I151 HydrophobicContact CG2-CG1 4.21Å; V100-L218 WeakPolarHBondContact O-CB 3.44Å; V100-L218 WeakPolarHBondContact O-CD1 3.46Å; V100-L218 WeakPolarHBondContact O-CD2 3.43Å; V100-L218 VanDerWaalsContact O-CG 3.22Å; V100-L218 WeakPolarHBondContact O-CG 3.47Å
101	I	84.6	Confident	80.1	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	108.6	177.3	-62.7	177.5	0	0	0	110.6	I64 T68 I70 L72 W145 Y146 A215	I64-I101 HydrophobicContact CG2-CD1 3.18Å; I64-I101 HydrophobicContact CG2-CG1 4.47Å; I64-I101 HydrophobicContact CG2-CG2 4.42Å; T68-I101 HydrophobicContact CG2-CD1 4.16Å; I70-I101 HydrophobicContact CD1-CD1 4.26Å; L72-I101 HydrophobicContact CD1-CD1 4.4Å; L72-I101 HydrophobicContact CD2-CD1 4.12Å; L72-I101 HydrophobicContact CD2-CG1 4.44Å; I101-W145 CarbonylContact O-C 3.58Å; I101-W145 VanDerWaalsContact O-CA 3.29Å; I101-W145 WeakPolarHBondContact O-CA 3.38Å; I101-Y146 HydrophobicContact CB-CD2 4.15Å; I101-Y146 HydrophobicContact CG2-CD2 4.11Å; I101-Y146 PolarHBondContact N-O 3.35Å; I101-Y146 VanDerWaalsContact N-O 3.17Å; I101-Y146 PolarHBondContact O-N 3.37Å; I101-A215 HydrophobicContact CD1-CB 4.46Å; I101-A215 HydrophobicContact CG2-CB 3.83Å
102	A	84	Confident	80.5	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	147.6	166.9	0	0	0	0	0	110	G144 Q214 L218	A102-G144 CarbonylContact C-O 3.53Å; A102-G144 WeakPolarHBondContact CA-O 3.29Å; A102-Q214 HydrophobicContact CB-CG 4.22Å; A102-Q214 VanDerWaalsContact O-CB 3.23Å; A102-Q214 WeakPolarHBondContact O-CB 3.32Å; A102-Q214 WeakPolarHBondContact O-CG 3.16Å; A102-L218 HydrophobicContact CB-CD1 3.99Å
103	F	83.1	Confident	80.8	Confident	18 Å²	18	59.8 Å²	59.8	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.4	173.3	64	-90.9	0	0	0	111.5	F56 V76 L78 H143 G144 Y146	F56-F103 AromaticContact CD1-CD2 3.88Å; F56-F103 HydrophobicContact CD1-CD2 3.88Å; F56-F103 AromaticContact CD1-CE2 3.51Å; F56-F103 HydrophobicContact CD1-CE2 3.51Å; F56-F103 AromaticContact CD1-CZ 3.91Å; F56-F103 HydrophobicContact CD1-CZ 3.91Å; F56-F103 AromaticContact CE1-CD2 3.5Å; F56-F103 HydrophobicContact CE1-CD2 3.5Å; F56-F103 VanDerWaalsContact CE1-CD2 3.5Å; F56-F103 AromaticContact CE1-CE2 3.48Å; F56-F103 HydrophobicContact CE1-CE2 3.48Å; F56-F103 VanDerWaalsContact CE1-CE2 3.48Å; F56-F103 HydrophobicContact CE1-CG 4.37Å; F56-F103 HydrophobicContact CE1-CZ 4.34Å; F56-F103 HydrophobicContact CG-CE2 4.26Å; F56-F103 HydrophobicContact CZ-CD2 4.33Å; F56-F103 HydrophobicContact CZ-CE2 4.2Å; V76-F103 HydrophobicContact CG1-CE1 3.95Å; V76-F103 HydrophobicContact CG1-CZ 4.09Å; L78-F103 HydrophobicContact CD1-CE2 3.53Å; L78-F103 HydrophobicContact CD1-CZ 3.54Å; F103-H143 CarbonylContact O-C 3.57Å; F103-H143 WeakPolarHBondContact O-CA 3.47Å; F103-H143 VanDerWaalsContact O-CB 3.3Å; F103-H143 WeakPolarHBondContact O-CB 3.34Å; F103-G144 WeakPolarHBondContact CD1-O 3.48Å; F103-G144 PolarHBondContact N-O 3.27Å; F103-G144 PolarHBondContact O-N 3.49Å; F103-Y146 AromaticContact CD1-CD2 3.62Å; F103-Y146 HydrophobicContact CD1-CD2 3.62Å; F103-Y146 AromaticContact CD1-CE2 3.36Å; F103-Y146 HydrophobicContact CD1-CE2 3.36Å; F103-Y146 AromaticContact CE1-CD2 3.96Å; F103-Y146 HydrophobicContact CE1-CD2 3.96Å; F103-Y146 AromaticContact CE1-CE2 3.66Å; F103-Y146 HydrophobicContact CE1-CE2 3.66Å; F103-Y146 HydrophobicContact CG-CE2 4.11Å
104	V	82	Confident	81.3	Confident	47 Å²	47	61.6 Å²	61.6	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.7	172.8	-174.4	0	0	0	0	109.2	Y106 I142 H143	V104-Y106 HydrophobicContact CG1-CD1 3.9Å; V104-Y106 HydrophobicContact CG1-CE1 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE1 3.42Å; V104-Y106 HydrophobicContact CG1-CE2 4.35Å; V104-I142 CarbonylContact C-O 3.51Å; V104-I142 WeakPolarHBondContact CA-O 3.12Å; V104-H143 HydrophobicContact CB-CB 4.35Å; V104-H143 HydrophobicContact CG1-CB 4.34Å; V104-H143 HydrophobicContact CG2-CB 3.87Å
105	L	81	Confident	81.4	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.089	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.6	168.8	170.7	61.2	0	0	0	108.5	F22 F56 L107 S141 I142 F211	F22-L105 HydrophobicContact CE1-CD2 3.79Å; F22-L105 HydrophobicContact CZ-CD2 4.39Å; F56-L105 HydrophobicContact CE2-CD2 4.07Å; F56-L105 HydrophobicContact CZ-CB 4.07Å; F56-L105 HydrophobicContact CZ-CD2 3.91Å; L105-L107 HydrophobicContact CD1-CD2 4.41Å; L105-L107 HydrophobicContact CD2-CD2 3.85Å; L105-L107 HydrophobicContact CG-CD2 3.77Å; L105-S141 CarbonylContact O-C 3.54Å; L105-S141 VanDerWaalsContact O-CA 3.28Å; L105-S141 WeakPolarHBondContact O-CA 3.37Å; L105-I142 HydrophobicContact CB-CB 4.34Å; L105-I142 PolarHBondContact N-O 3.01Å; L105-I142 PolarHBondContact O-N 3Å; L105-F211 HydrophobicContact CD1-CE1 3.74Å; L105-F211 HydrophobicContact CD1-CZ 4.08Å; L105-F211 HydrophobicContact CD2-CE1 4.42Å
106	Y	80.2	Confident	81.8	Confident	99 Å²	99	56.7 Å²	56.7	39%	0.388	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.9	173.6	-61.1	-57.8	0	0	0	110.4	V104	V104-Y106 HydrophobicContact CG1-CD1 3.9Å; V104-Y106 HydrophobicContact CG1-CE1 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE1 3.42Å; V104-Y106 HydrophobicContact CG1-CE2 4.35Å
107	L	76.6	Confident	81.7	Confident	25 Å²	25	52.7 Å²	52.7	13%	0.131	29%	0.294	C	S	.	.			trans	-109.9	6.7	177.8	-55.1	-178.6	0	0	0	112.1	I26 L105 L140 I142	I26-L107 HydrophobicContact CD1-CD2 4.31Å; I26-L107 HydrophobicContact CG2-CD2 3.79Å; L105-L107 HydrophobicContact CD1-CD2 4.41Å; L105-L107 HydrophobicContact CD2-CD2 3.85Å; L105-L107 HydrophobicContact CG-CD2 3.77Å; L107-L140 HydrophobicContact CB-CB 4.4Å; L107-L140 HydrophobicContact CB-CD2 3.89Å; L107-L140 HydrophobicContact CB-CG 3.9Å; L107-L140 HydrophobicContact CD1-CD2 3.89Å; L107-L140 HydrophobicContact CD1-CG 4.06Å; L107-L140 HydrophobicContact CG-CG 4.42Å; L107-L140 PolarHBondContact N-O 3.42Å; L107-I142 HydrophobicContact CD1-CD1 3.79Å; L107-I142 HydrophobicContact CD1-CG1 3.85Å
108	T	77	Confident	81.5	Confident	37 Å²	37	47.9 Å²	47.9	23%	0.227	27%	0.268	C	S	.	.			trans	-91.8	125.3	179.8	-40	0	0	0	0	111.2	F137 K139 L140	T108-F137 HydrophobicContact CG2-CD2 3.64Å; T108-F137 HydrophobicContact CG2-CE2 3.11Å; T108-F137 HydrophobicContact CG2-CZ 3.86Å; T108-K139 WeakPolarHBondContact OG1-CA 3.23Å; T108-L140 PolarHBondContact OG1-N 2.84Å; T108-L140 PolarHBondContact OG1-O 3.43Å
109	E	78.1	Confident	81.2	Confident	151 Å²	151	50.7 Å²	50.7	71%	0.706	28%	0.28	S	S	*	.	S	Bend	trans	-86.7	155.9	172.4	-59.6	-165.8	164.6	0	0	111.3	W111	E109-W111 VanDerWaalsContact C-N 3.27Å; E109-W111 PolarHBondContact O-N 2.78Å
110	G	79.7	Confident	80.4	Confident	71 Å²	71	49.6 Å²	49.6	73%	0.732	28%	0.278	S	S	*	.	S	Bend	trans	72.1	10.4	174.2	0	0	0	0	0	116.1	T112	G110-T112 PolarHBondContact O-N 3.2Å
111	W	83.2	Confident	79.5	Confident	81 Å²	81	53.7 Å²	53.7	31%	0.307	30%	0.298	S	S	.	.			trans	-59.6	133	176.3	-175	95.1	0	0	0	111.6	E109 A113 G116 R118 F137	E109-W111 VanDerWaalsContact C-N 3.27Å; E109-W111 PolarHBondContact O-N 2.78Å; W111-A113 HydrophobicContact CH2-CB 4.34Å; W111-G116 PolarHBondContact NE1-O 3.24Å; W111-R118 HydrophobicContact CH2-CB 4.3Å; W111-R118 HydrophobicContact CZ2-CB 3.99Å; W111-F137 HydrophobicContact CB-CE1 4.19Å; W111-F137 HydrophobicContact CB-CZ 3.57Å; W111-F137 AromaticContact CD1-CE1 3.72Å; W111-F137 AromaticContact CD1-CZ 3.15Å; W111-F137 HydrophobicContact CG-CE1 4.17Å; W111-F137 AromaticContact CG-CZ 3.66Å; W111-F137 HydrophobicContact CG-CZ 3.66Å
112	T	83.6	Confident	78.5	Confident	66 Å²	66	56.1 Å²	56.1	41%	0.405	31%	0.309	S	S	.	.			trans	-123	161.3	168.3	76.8	0	0	0	0	110.8	G110 L114 D115	G110-T112 PolarHBondContact O-N 3.2Å; T112-L114 PolarHBondContact O-N 2.72Å; T112-L114 VanDerWaalsContact O-N 3.1Å; T112-L114 PolarHBondContact OG1-N 2.94Å; T112-D115 WeakPolarHBondContact CA-OD2 3.41Å; T112-D115 WeakPolarHBondContact CB-OD2 3.28Å; T112-D115 PolarHBondContact N-OD2 2.73Å; T112-D115 WeakPolarHBondContact O-CB 3.35Å; T112-D115 PolarHBondContact O-N 3.39Å; T112-D115 PolarHBondContact OG1-OD2 3.45Å
113	A	79.1	Confident	77.4	Confident	72 Å²	72	59.1 Å²	59.1	60%	0.595	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-58.1	-25.6	175.9	0	0	0	0	0	113.5	W111 D115 G116	W111-A113 HydrophobicContact CH2-CB 4.34Å; A113-D115 PolarHBondContact O-N 3.05Å; A113-G116 PolarHBondContact O-N 3.49Å
114	L	82.5	Confident	76.3	Confident	138 Å²	138	63.2 Å²	63.2	72%	0.723	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-70.1	-22.5	178.2	-65.7	175.3	0	0	0	112.8	T112 G116	T112-L114 PolarHBondContact O-N 2.72Å; T112-L114 VanDerWaalsContact O-N 3.1Å; T112-L114 PolarHBondContact OG1-N 2.94Å; L114-G116 VanDerWaalsContact C-N 3.26Å; L114-G116 PolarHBondContact O-N 3.07Å
115	D	82.5	Confident	75.4	Confident	23 Å²	23	66 Å²	66	12%	0.123	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-80.5	-8.2	-177.9	-58.2	-59.7	0	0	0	113.1	T112 A113 T134 R135 S136 F137	T112-D115 WeakPolarHBondContact CA-OD2 3.41Å; T112-D115 WeakPolarHBondContact CB-OD2 3.28Å; T112-D115 PolarHBondContact N-OD2 2.73Å; T112-D115 WeakPolarHBondContact O-CB 3.35Å; T112-D115 PolarHBondContact O-N 3.39Å; T112-D115 PolarHBondContact OG1-OD2 3.45Å; A113-D115 PolarHBondContact O-N 3.05Å; D115-T134 CarbonylContact O-C 3.58Å; D115-T134 WeakPolarHBondContact O-CA 3.2Å; D115-R135 PolarHBondContact O-N 2.78Å; D115-S136 VanDerWaalsContact OD1-CB 3.32Å; D115-S136 WeakPolarHBondContact OD1-CB 3.17Å; D115-S136 PolarHBondContact OD1-OG 3.27Å; D115-F137 HydrophobicContact CB-CD1 3.47Å; D115-F137 VanDerWaalsContact CB-CD1 3.47Å; D115-F137 HydrophobicContact CB-CE1 3.17Å; D115-F137 HydrophobicContact CB-CZ 4.24Å; D115-F137 VanDerWaalsContact CG-CD1 3.46Å; D115-F137 WeakPolarHBondContact OD2-CE1 3.34Å
116	G	83.6	Confident	73.8	Confident	2 Å²	2	68 Å²	68	2%	0.021	40%	0.395	C	S	.	.			trans	69.2	-161.5	179.9	0	0	0	0	0	113	W111 A113 L114 R118	W111-G116 PolarHBondContact NE1-O 3.24Å; A113-G116 PolarHBondContact O-N 3.49Å; L114-G116 VanDerWaalsContact C-N 3.26Å; L114-G116 PolarHBondContact O-N 3.07Å; G116-R118 PolarHBondContact O-N 2.91Å
117	G	77	Confident	72	Confident	15 Å²	15	70.8 Å²	70.8	16%	0.155	41%	0.409	C	S	.	.			trans	64.4	24.7	179.8	0	0	0	0	0	113.6	L132 K139	G117-L132 PolarHBondContact N-O 2.97Å; G117-K139 WeakPolarHBondContact O-CD 3.29Å; G117-K139 PolarHBondContact O-NZ 3.23Å
118	R	77.4	Confident	70.5	Confident	72 Å²	72	73.9 Å²	73.9	27%	0.272	44%	0.438	S	S	.	.			trans	-66.2	156.3	175.7	63.2	-178.9	-176.2	154.2	19.9	111.5	W111 G116 D120	W111-R118 HydrophobicContact CH2-CB 4.3Å; W111-R118 HydrophobicContact CZ2-CB 3.99Å; G116-R118 PolarHBondContact O-N 2.91Å; R118-D120 WeakPolarHBondContact CD-OD1 3.45Å; R118-D120 VanDerWaalsContact CG-OD1 3.29Å; R118-D120 WeakPolarHBondContact CG-OD1 3.44Å; R118-D120 IonicContact CZ-OD1 3.29Å; R118-D120 IonicContact CZ-OD2 3.92Å; R118-D120 IonicContact NE-OD1 3.4Å; R118-D120 PolarHBondContact NE-OD1 3.49Å; R118-D120 IonicContact NE-OD2 3.21Å; R118-D120 PolarHBondContact NE-OD2 3.11Å; R118-D120 IonicContact NH1-OD1 3.09Å; R118-D120 IonicContact NH2-OD1 3.28Å; R118-D120 PolarHBondContact NH2-OD1 3.02Å; R118-D120 IonicContact NH2-OD2 3.8Å; R118-D120 PolarHBondContact NH2-OD2 3.28Å; R118-D120 VanDerWaalsContact NH2-OD2 3.09Å; R118-D120 PolarHBondContact O-N 2.92Å
119	L	78	Confident	69.1	Low	73 Å²	73	77.3 Å²	77.3	38%	0.382	45%	0.451	S	S	.	.			trans	-82.2	110.8	167.5	175.9	65	0	0	0	108.4
120	D	70.8	Confident	67.8	Low	24 Å²	24	78.1 Å²	78.1	13%	0.128	46%	0.455	C	S	.	.			trans	-96.7	126	177.7	-75.6	-29.4	0	0	0	110.9	R118 F122 T131	R118-D120 WeakPolarHBondContact CD-OD1 3.45Å; R118-D120 VanDerWaalsContact CG-OD1 3.29Å; R118-D120 WeakPolarHBondContact CG-OD1 3.44Å; R118-D120 IonicContact CZ-OD1 3.29Å; R118-D120 IonicContact CZ-OD2 3.92Å; R118-D120 IonicContact NE-OD1 3.4Å; R118-D120 PolarHBondContact NE-OD1 3.49Å; R118-D120 IonicContact NE-OD2 3.21Å; R118-D120 PolarHBondContact NE-OD2 3.11Å; R118-D120 IonicContact NH1-OD1 3.09Å; R118-D120 IonicContact NH2-OD1 3.28Å; R118-D120 PolarHBondContact NH2-OD1 3.02Å; R118-D120 IonicContact NH2-OD2 3.8Å; R118-D120 PolarHBondContact NH2-OD2 3.28Å; R118-D120 VanDerWaalsContact NH2-OD2 3.09Å; R118-D120 PolarHBondContact O-N 2.92Å; D120-F122 HydrophobicContact CB-CE2 3.93Å; D120-F122 HydrophobicContact CB-CZ 4.22Å; D120-T131 WeakPolarHBondContact OD2-CA 3.31Å
121	I	66	Low	66.5	Low	86 Å²	86	77.1 Å²	77.1	44%	0.441	44%	0.435	S	S	.	.			trans	-106.7	119.7	179.4	-57.9	173	0	0	0	108.3	L217	I121-L217 HydrophobicContact CD1-CD1 3.97Å; I121-L217 HydrophobicContact CG1-CD1 4.14Å; I121-L217 HydrophobicContact CG2-CD1 4.3Å; I121-L217 HydrophobicContact CG2-CD2 3.9Å
122	F	63.9	Low	65.1	Low	53 Å²	53	76.2 Å²	76.2	23%	0.232	44%	0.435	C	S	.	.			trans	-94.7	144.7	-177.3	-63	-97.6	0	0	0	111.8	C91 D120 Q129	C91-F122 HydrophobicContact CB-CD2 4.3Å; C91-F122 HydrophobicContact CB-CE2 4.02Å; C91-F122 HydrophobicContact CB-CZ 4.31Å; D120-F122 HydrophobicContact CB-CE2 3.93Å; D120-F122 HydrophobicContact CB-CZ 4.22Å; F122-Q129 HydrophobicContact CE1-CB 4.45Å; F122-Q129 WeakPolarHBondContact CE1-O 3.31Å
123	T	59.6	Low	64.1	Low	72 Å²	72	75.5 Å²	75.5	44%	0.442	43%	0.432	S	S	.	.			trans	-79.6	156.7	168.2	54.6	0	0	0	0	110.3	D125 G126	T123-D125 WeakPolarHBondContact CB-OD1 3.41Å; T123-D125 PolarHBondContact O-N 3.46Å; T123-D125 PolarHBondContact OG1-OD1 2.8Å; T123-G126 PolarHBondContact O-N 3.27Å
124	C	61.4	Low	62.9	Low	103 Å²	103	72.2 Å²	72.2	70%	0.696	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.8	-174.7	-69.8	0	0	0	0	113.9	G126 R220	C124-G126 PolarHBondContact O-N 3.09Å; C124-R220 PolarHBondContact SG-NH2 3.15Å
125	D	62.6	Low	62.3	Low	105 Å²	105	72.6 Å²	72.6	56%	0.561	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	4	174.4	57.3	-40.4	0	0	0	113	T123 K127	T123-D125 WeakPolarHBondContact CB-OD1 3.41Å; T123-D125 PolarHBondContact O-N 3.46Å; T123-D125 PolarHBondContact OG1-OD1 2.8Å; D125-K127 PolarHBondContact O-N 3.21Å; D125-K127 VanDerWaalsContact O-N 3.14Å
126	G	46.6	Very low	61.4	Low	60 Å²	60	75.3 Å²	75.3	62%	0.619	42%	0.417	S	S	*	.			trans	70.1	15.3	163.3	0	0	0	0	0	114.5	T123 C124 A128	T123-G126 PolarHBondContact O-N 3.27Å; C124-G126 PolarHBondContact O-N 3.09Å; G126-A128 PolarHBondContact O-N 2.93Å
127	K	43.7	Very low	60.9	Low	158 Å²	158	77.3 Å²	77.3	69%	0.687	43%	0.425	S	S	*	.			trans	-69.4	100.8	171.4	-71.1	-173.8	-177.9	174.6	0	108.5	D125 Q129	D125-K127 PolarHBondContact O-N 3.21Å; D125-K127 VanDerWaalsContact O-N 3.14Å; K127-Q129 PolarHBondContact O-N 3.04Å; K127-Q129 VanDerWaalsContact O-N 3.17Å
128	A	44.5	Very low	60.8	Low	89 Å²	89	84.8 Å²	84.8	74%	0.736	45%	0.449	S	S	*	.			trans	-65.3	112.6	178.3	0	0	0	0	0	109.7	G126	G126-A128 PolarHBondContact O-N 2.93Å
129	Q	48.1	Very low	60.7	Low	110 Å²	110	82.3 Å²	82.3	51%	0.514	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-82.1	132.7	157.1	-147.4	169.9	66.4	0	0	108	F122 K127 T131	F122-Q129 HydrophobicContact CE1-CB 4.45Å; F122-Q129 WeakPolarHBondContact CE1-O 3.31Å; K127-Q129 PolarHBondContact O-N 3.04Å; K127-Q129 VanDerWaalsContact O-N 3.17Å; Q129-T131 PolarHBondContact O-N 3.04Å
130	Q	49.8	Very low	60.8	Low	168 Å²	168	80.1 Å²	80.1	79%	0.785	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-64	120.1	178.4	-68.4	-177.2	13.8	0	0	109.4	L132	Q130-L132 PolarHBondContact O-N 2.73Å
131	T	51.9	Low	61.1	Low	50 Å²	50	79.4 Å²	79.4	31%	0.307	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-67	117.9	171	-37.8	0	0	0	0	108.3	D120 Q129 P133	D120-T131 WeakPolarHBondContact OD2-CA 3.31Å; Q129-T131 PolarHBondContact O-N 3.04Å; T131-P133 WeakPolarHBondContact O-CD 3.25Å
132	L	54.9	Low	61.7	Low	61 Å²	61	75.5 Å²	75.5	32%	0.319	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-75.3	118.1	175.6	-69.9	176.1	0	0	0	108.9	G117 Q130	G117-L132 PolarHBondContact N-O 2.97Å; Q130-L132 PolarHBondContact O-N 2.73Å
133	P	61.5	Low	62.6	Low	51 Å²	51	74.8 Å²	74.8	33%	0.331	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-62.6	155.6	178.2	27.7	-34.3	0	0	0	109.8	T131 R135	T131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-R135 WeakPolarHBondContact O-CG 3.23Å; P133-R135 PolarHBondContact O-N 3.28Å
134	T	55.4	Low	64	Low	4 Å²	4	71.4 Å²	71.4	3%	0.025	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-60.2	130.2	175.3	-45.5	0	0	0	0	108.8	G84 P85 G86 D87 D115 F137	G84-T134 WeakPolarHBondContact O-CB 3.36Å; P85-T134 CarbonylContact C-O 3.52Å; P85-T134 VanDerWaalsContact CA-O 3.3Å; P85-T134 WeakPolarHBondContact CA-O 3.2Å; G86-T134 PolarHBondContact N-O 3.29Å; D87-T134 PolarHBondContact O-N 2.98Å; D87-T134 PolarHBondContact O-OG1 3.22Å; D115-T134 CarbonylContact O-C 3.58Å; D115-T134 WeakPolarHBondContact O-CA 3.2Å; T134-F137 WeakPolarHBondContact CG2-O 3.41Å
135	R	68.1	Low	65.3	Low	145 Å²	145	68 Å²	68	55%	0.547	36%	0.355	S	S	.	.			trans	-104.7	-42.5	-170.4	-70.2	-172.4	174.3	176.8	-2.6	113.8	D115 P133	D115-R135 PolarHBondContact O-N 2.78Å; P133-R135 WeakPolarHBondContact O-CG 3.23Å; P133-R135 PolarHBondContact O-N 3.28Å
136	S	63.8	Low	66.6	Low	81 Å²	81	63 Å²	63	57%	0.566	33%	0.328	S	S	*	.	S	Bend	trans	-122.8	-27.3	-160.3	-52.6	0	0	0	0	114.5	D115	D115-S136 VanDerWaalsContact OD1-CB 3.32Å; D115-S136 WeakPolarHBondContact OD1-CB 3.17Å; D115-S136 PolarHBondContact OD1-OG 3.27Å
137	F	73.8	Confident	68.8	Low	43 Å²	43	61 Å²	61	19%	0.189	30%	0.302	C	S	.	.	S	Bend	trans	-145.1	166.6	-172.4	73.6	-102.1	0	0	0	113	T108 W111 D115 T134 K139	T108-F137 HydrophobicContact CG2-CD2 3.64Å; T108-F137 HydrophobicContact CG2-CE2 3.11Å; T108-F137 HydrophobicContact CG2-CZ 3.86Å; W111-F137 HydrophobicContact CB-CE1 4.19Å; W111-F137 HydrophobicContact CB-CZ 3.57Å; W111-F137 AromaticContact CD1-CE1 3.72Å; W111-F137 AromaticContact CD1-CZ 3.15Å; W111-F137 HydrophobicContact CG-CE1 4.17Å; W111-F137 AromaticContact CG-CZ 3.66Å; W111-F137 HydrophobicContact CG-CZ 3.66Å; D115-F137 HydrophobicContact CB-CD1 3.47Å; D115-F137 VanDerWaalsContact CB-CD1 3.47Å; D115-F137 HydrophobicContact CB-CE1 3.17Å; D115-F137 HydrophobicContact CB-CZ 4.24Å; D115-F137 VanDerWaalsContact CG-CD1 3.46Å; D115-F137 WeakPolarHBondContact OD2-CE1 3.34Å; T134-F137 WeakPolarHBondContact CG2-O 3.41Å; F137-K139 HydrophobicContact CE2-CB 4.09Å; F137-K139 PolarHBondContact O-N 3.15Å
138	R	74.2	Confident	70.9	Confident	173 Å²	173	53.7 Å²	53.7	65%	0.653	27%	0.272	S	S	*	.			trans	-80.4	110.3	176.7	-71.1	-178.9	176.8	174.1	-1.6	111.2	M82 Y83 L140	M82-R138 HydrophobicContact CG-CB 3.89Å; M82-R138 HydrophobicContact CG-CG 4.32Å; M82-R138 HydrophobicContact SD-CB 4.09Å; M82-R138 HydrophobicContact SD-CG 4.38Å; Y83-R138 CarbonylContact O-C 3.44Å; Y83-R138 VanDerWaalsContact O-CA 3.24Å; Y83-R138 WeakPolarHBondContact O-CA 3.4Å; R138-L140 PolarHBondContact O-N 3.4Å
139	K	76.5	Confident	72.8	Confident	20 Å²	20	52.7 Å²	52.7	9%	0.087	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.7	177.4	-172.6	-175.4	-178.2	-170.5	0	110.7	M82 Y83 T108 G117 F137	M82-K139 CarbonylContact C-O 3.55Å; M82-K139 WeakPolarHBondContact CA-O 3.44Å; Y83-K139 PolarHBondContact N-O 3.03Å; Y83-K139 PolarHBondContact O-N 3.25Å; T108-K139 WeakPolarHBondContact OG1-CA 3.23Å; G117-K139 WeakPolarHBondContact O-CD 3.29Å; G117-K139 PolarHBondContact O-NZ 3.23Å; F137-K139 HydrophobicContact CE2-CB 4.09Å; F137-K139 PolarHBondContact O-N 3.15Å
140	L	78.7	Confident	73.8	Confident	27 Å²	27	51.5 Å²	51.5	14%	0.141	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.8	174.6	178	59.1	0	0	0	112.1	L36 L107 T108 R138	L36-L140 HydrophobicContact CD1-CD1 3.19Å; L36-L140 HydrophobicContact CD1-CD2 4.21Å; L36-L140 HydrophobicContact CD1-CG 4.32Å; L107-L140 HydrophobicContact CB-CB 4.4Å; L107-L140 HydrophobicContact CB-CD2 3.89Å; L107-L140 HydrophobicContact CB-CG 3.9Å; L107-L140 HydrophobicContact CD1-CD2 3.89Å; L107-L140 HydrophobicContact CD1-CG 4.06Å; L107-L140 HydrophobicContact CG-CG 4.42Å; L107-L140 PolarHBondContact N-O 3.42Å; T108-L140 PolarHBondContact OG1-N 2.84Å; T108-L140 PolarHBondContact OG1-O 3.43Å; R138-L140 PolarHBondContact O-N 3.4Å
141	S	77.8	Confident	74.3	Confident	8 Å²	8	44 Å²	44	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.3	173.5	63.5	0	0	0	0	112.8	S80 S81 L105	S80-S141 CarbonylContact C-O 3.58Å; S80-S141 VanDerWaalsContact CA-O 3.22Å; S80-S141 WeakPolarHBondContact CA-O 3.45Å; S80-S141 WeakPolarHBondContact CB-O 3.35Å; S81-S141 PolarHBondContact N-O 2.71Å; S81-S141 PolarHBondContact O-N 3.4Å; L105-S141 CarbonylContact O-C 3.54Å; L105-S141 VanDerWaalsContact O-CA 3.28Å; L105-S141 WeakPolarHBondContact O-CA 3.37Å
142	I	79.9	Confident	74.6	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.2	160.6	-65	174.8	0	0	0	106.8	F41 I52 F56 L78 S79 V104 L105 L107	F41-I142 HydrophobicContact CE1-CD1 4.45Å; F41-I142 HydrophobicContact CZ-CD1 4.16Å; F41-I142 HydrophobicContact CZ-CG1 4.09Å; I52-I142 HydrophobicContact CD1-CD1 3.71Å; I52-I142 HydrophobicContact CG2-CD1 4.08Å; F56-I142 HydrophobicContact CE2-CG2 4.47Å; L78-I142 HydrophobicContact CD1-CG2 3.42Å; L78-I142 VanDerWaalsContact CD1-CG2 3.42Å; L78-I142 HydrophobicContact CG-CG2 4.07Å; S79-I142 CarbonylContact O-C 3.57Å; S79-I142 WeakPolarHBondContact O-CA 3.09Å; V104-I142 CarbonylContact C-O 3.51Å; V104-I142 WeakPolarHBondContact CA-O 3.12Å; L105-I142 HydrophobicContact CB-CB 4.34Å; L105-I142 PolarHBondContact N-O 3.01Å; L105-I142 PolarHBondContact O-N 3Å; L107-I142 HydrophobicContact CD1-CD1 3.79Å; L107-I142 HydrophobicContact CD1-CG1 3.85Å
143	H	82.5	Confident	74.3	Confident	38 Å²	38	44.1 Å²	44.1	18%	0.176	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	167.3	-179.9	56.8	-87.5	0	0	0	110.5	S79 S81 F103 V104	S79-H143 PolarHBondContact N-O 3.46Å; S79-H143 PolarHBondContact O-N 3.13Å; S81-H143 PolarHBondContact OG-CE1 3.46Å; S81-H143 VanDerWaalsContact OG-CE1 3.26Å; F103-H143 CarbonylContact O-C 3.57Å; F103-H143 WeakPolarHBondContact O-CA 3.47Å; F103-H143 VanDerWaalsContact O-CB 3.3Å; F103-H143 WeakPolarHBondContact O-CB 3.34Å; V104-H143 HydrophobicContact CB-CB 4.35Å; V104-H143 HydrophobicContact CG1-CB 4.34Å; V104-H143 HydrophobicContact CG2-CB 3.87Å
144	G	87.8	Confident	73.5	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-167.9	-177.1	0	0	0	0	0	113.5	A77 A102 F103	A77-G144 CarbonylContact O-C 3.6Å; A77-G144 WeakPolarHBondContact O-CA 3.27Å; A102-G144 CarbonylContact C-O 3.53Å; A102-G144 WeakPolarHBondContact CA-O 3.29Å; F103-G144 WeakPolarHBondContact CD1-O 3.48Å; F103-G144 PolarHBondContact N-O 3.27Å; F103-G144 PolarHBondContact O-N 3.49Å
145	W	89.4	Confident	72.8	Confident	33 Å²	33	47.7 Å²	47.7	13%	0.125	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.5	-177.9	-57.3	-88.5	0	0	0	111.2	A77 D94 R99 I101 F147	A77-W145 HydrophobicContact CB-CE3 4.01Å; A77-W145 PolarHBondContact N-O 3.33Å; A77-W145 PolarHBondContact O-N 2.77Å; D94-W145 VanDerWaalsContact CG-NE1 3.31Å; D94-W145 WeakPolarHBondContact OD1-CZ2 3.39Å; D94-W145 PolarHBondContact OD2-NE1 3.11Å; R99-W145 HydrophobicContact CB-CB 4.24Å; R99-W145 HydrophobicContact CB-CG 4.32Å; R99-W145 VanDerWaalsContact CD-CG 3.44Å; R99-W145 HydrophobicContact CG-CB 3.9Å; R99-W145 HydrophobicContact CG-CG 3.96Å; R99-W145 VanDerWaalsContact CZ-CD2 3.4Å; R99-W145 VanDerWaalsContact NH1-CH2 3.31Å; R99-W145 VanDerWaalsContact NH2-CZ3 3.26Å; I101-W145 CarbonylContact O-C 3.58Å; I101-W145 VanDerWaalsContact O-CA 3.29Å; I101-W145 WeakPolarHBondContact O-CA 3.38Å; W145-F147 HydrophobicContact CB-CE2 4.29Å; W145-F147 WeakPolarHBondContact O-CD2 3.32Å; W145-F147 WeakPolarHBondContact O-CE2 3.35Å
146	Y	90.1	Very high	71.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	138.7	160.3	-66.3	-78.1	0	0	0	109.7	F56 V60 R61 I64 L72 V76 V100 I101 F103	F56-Y146 VanDerWaalsContact O-CE1 3.25Å; F56-Y146 WeakPolarHBondContact O-CE1 3.11Å; F56-Y146 PolarHBondContact O-OH 2.96Å; V60-Y146 WeakPolarHBondContact CB-OH 3.3Å; V60-Y146 VanDerWaalsContact CG1-OH 3.23Å; V60-Y146 WeakPolarHBondContact CG1-OH 3.39Å; R61-Y146 HydrophobicContact CB-CD1 4.08Å; R61-Y146 HydrophobicContact CB-CE1 3.56Å; R61-Y146 HydrophobicContact CG-CD1 3.78Å; R61-Y146 HydrophobicContact CG-CE1 3.81Å; I64-Y146 HydrophobicContact CD1-CD2 3.57Å; I64-Y146 HydrophobicContact CD1-CE1 4.45Å; I64-Y146 HydrophobicContact CD1-CE2 3.05Å; I64-Y146 HydrophobicContact CD1-CG 4.44Å; L72-Y146 HydrophobicContact CD1-CD1 4.15Å; L72-Y146 HydrophobicContact CD1-CG 3.99Å; V76-Y146 HydrophobicContact CB-CD1 4.36Å; V76-Y146 HydrophobicContact CB-CE1 4.33Å; V76-Y146 HydrophobicContact CG1-CD1 4.02Å; V76-Y146 HydrophobicContact CG1-CE1 3.79Å; V76-Y146 HydrophobicContact CG2-CD1 3.54Å; V76-Y146 HydrophobicContact CG2-CE1 3.54Å; V100-Y146 PolarHBondContact N-O 2.85Å; I101-Y146 HydrophobicContact CB-CD2 4.15Å; I101-Y146 HydrophobicContact CG2-CD2 4.11Å; I101-Y146 PolarHBondContact N-O 3.35Å; I101-Y146 VanDerWaalsContact N-O 3.17Å; I101-Y146 PolarHBondContact O-N 3.37Å; F103-Y146 AromaticContact CD1-CD2 3.62Å; F103-Y146 HydrophobicContact CD1-CD2 3.62Å; F103-Y146 AromaticContact CD1-CE2 3.36Å; F103-Y146 HydrophobicContact CD1-CE2 3.36Å; F103-Y146 AromaticContact CE1-CD2 3.96Å; F103-Y146 HydrophobicContact CE1-CD2 3.96Å; F103-Y146 AromaticContact CE1-CE2 3.66Å; F103-Y146 HydrophobicContact CE1-CE2 3.66Å; F103-Y146 HydrophobicContact CG-CE2 4.11Å
147	F	92.1	Very high	69.9	Low	17 Å²	17	55.1 Å²	55.1	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	162.1	177.7	-67.8	-105.1	0	0	0	110.9	L72 D73 K75 A77 G98 R99 W145	L72-F147 CarbonylContact C-O 3.51Å; L72-F147 VanDerWaalsContact CA-O 3.29Å; L72-F147 WeakPolarHBondContact CA-O 3.16Å; D73-F147 HydrophobicContact CB-CB 4.13Å; D73-F147 PolarHBondContact N-O 2.61Å; K75-F147 HydrophobicContact CB-CB 4.16Å; K75-F147 HydrophobicContact CB-CD2 4.2Å; K75-F147 HydrophobicContact CB-CG 4.28Å; K75-F147 HydrophobicContact CD-CB 4.39Å; K75-F147 HydrophobicContact CD-CD1 3.95Å; K75-F147 HydrophobicContact CD-CD2 3.83Å; K75-F147 HydrophobicContact CD-CE1 4.19Å; K75-F147 HydrophobicContact CD-CE2 4.07Å; K75-F147 HydrophobicContact CD-CG 3.78Å; K75-F147 HydrophobicContact CD-CZ 4.25Å; K75-F147 HydrophobicContact CG-CB 4.45Å; K75-F147 HydrophobicContact CG-CD2 3.68Å; K75-F147 HydrophobicContact CG-CE2 4.08Å; K75-F147 HydrophobicContact CG-CG 4.01Å; K75-F147 WeakPolarHBondContact O-CD2 3.42Å; K75-F147 PolarHBondContact O-N 2.83Å; A77-F147 HydrophobicContact CB-CE2 3.67Å; A77-F147 HydrophobicContact CB-CZ 4.22Å; G98-F147 VanDerWaalsContact C-CD1 3.46Å; G98-F147 CarbonylContact O-C 3.58Å; G98-F147 WeakPolarHBondContact O-CA 3.26Å; G98-F147 WeakPolarHBondContact O-CB 3.08Å; G98-F147 VanDerWaalsContact O-CD1 3.28Å; G98-F147 WeakPolarHBondContact O-CD1 3.41Å; R99-F147 HydrophobicContact CG-CE1 3.91Å; R99-F147 HydrophobicContact CG-CZ 3.99Å; W145-F147 HydrophobicContact CB-CE2 4.29Å; W145-F147 WeakPolarHBondContact O-CD2 3.32Å; W145-F147 WeakPolarHBondContact O-CE2 3.35Å
148	G	89	Confident	67.9	Low	4 Å²	4	58.5 Å²	58.5	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-164	177.6	0	0	0	0	0	110.6	D73 G98	D73-G148 PolarHBondContact OD2-N 3.29Å; G98-G148 PolarHBondContact O-N 3.1Å; G98-G148 VanDerWaalsContact O-N 3.13Å
149	D	83	Confident	66	Low	68 Å²	68	56 Å²	56	36%	0.364	31%	0.306	S	S	.	.	S	Bend	trans	-55.1	134.7	-179	-64.6	-39	0	0	0	110.8	R71 I151	R71-D149 IonicContact CZ-OD1 2.71Å; R71-D149 IonicContact CZ-OD2 3.11Å; R71-D149 IonicContact NE-OD1 2.93Å; R71-D149 IonicContact NE-OD2 3.09Å; R71-D149 PolarHBondContact NE-OD2 3.33Å; R71-D149 IonicContact NH2-OD1 2.75Å; R71-D149 PolarHBondContact NH2-OD1 3.19Å; R71-D149 IonicContact NH2-OD2 3.13Å; R71-D149 PolarHBondContact NH2-OD2 3.01Å; D149-I151 PolarHBondContact O-N 3.41Å
150	P	69.8	Low	64.3	Low	85 Å²	85	61 Å²	61	55%	0.552	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-52.6	126	-175.9	-26.8	32.9	0	0	0	112.3	V152	P150-V152 PolarHBondContact O-N 3.26Å
151	I	60.6	Low	62.6	Low	12 Å²	12	71.5 Å²	71.5	6%	0.062	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-76.3	116.2	170.9	-51.1	-172.7	0	0	0	107.8	V100 D149 Y153 L218 Q221 Y222	V100-I151 HydrophobicContact CB-CD1 4.42Å; V100-I151 HydrophobicContact CG1-CD1 4.15Å; V100-I151 HydrophobicContact CG2-CD1 4.41Å; V100-I151 HydrophobicContact CG2-CG1 4.21Å; D149-I151 PolarHBondContact O-N 3.41Å; I151-Y153 HydrophobicContact CB-CE1 4.5Å; I151-Y153 HydrophobicContact CB-CE2 4.38Å; I151-Y153 HydrophobicContact CG2-CE1 4.21Å; I151-Y153 VanDerWaalsContact O-CD2 3.22Å; I151-Y153 WeakPolarHBondContact O-CD2 3.42Å; I151-Y153 VanDerWaalsContact O-CE2 3.24Å; I151-Y153 WeakPolarHBondContact O-CE2 3.17Å; I151-Y153 PolarHBondContact O-N 3.05Å; I151-L218 HydrophobicContact CD1-CD2 4.05Å; I151-Q221 HydrophobicContact CG2-CB 4.32Å; I151-Y222 HydrophobicContact CD1-CD2 4.41Å; I151-Y222 HydrophobicContact CG1-CD2 4.09Å; I151-Y222 HydrophobicContact CG2-CD2 4.29Å
152	V	57.2	Low	61.1	Low	56 Å²	56	74.1 Å²	74.1	34%	0.339	38%	0.384	S	S	.	.			trans	-76.7	113.3	172.1	-179.3	0	0	0	0	108.1	P150 Y224 S225	P150-V152 PolarHBondContact O-N 3.26Å; V152-Y224 CarbonylContact O-C 3.51Å; V152-S225 WeakPolarHBondContact O-CA 3.39Å
153	Y	49.8	Very low	59.4	Low	56 Å²	56	75.7 Å²	75.7	22%	0.22	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-83.2	135.5	175.5	-58.4	-82.8	0	0	0	109.7	Q95 I151 Q221	Q95-Y153 HydrophobicContact CB-CE1 4.41Å; Q95-Y153 HydrophobicContact CG-CD1 4.35Å; Q95-Y153 HydrophobicContact CG-CD2 4.09Å; Q95-Y153 HydrophobicContact CG-CE1 3.88Å; Q95-Y153 HydrophobicContact CG-CE2 3.55Å; Q95-Y153 HydrophobicContact CG-CG 4.44Å; Q95-Y153 VanDerWaalsContact CG-CZ 3.42Å; Q95-Y153 VanDerWaalsContact NE2-CE2 3.34Å; I151-Y153 HydrophobicContact CB-CE1 4.5Å; I151-Y153 HydrophobicContact CB-CE2 4.38Å; I151-Y153 HydrophobicContact CG2-CE1 4.21Å; I151-Y153 VanDerWaalsContact O-CD2 3.22Å; I151-Y153 WeakPolarHBondContact O-CD2 3.42Å; I151-Y153 VanDerWaalsContact O-CE2 3.24Å; I151-Y153 WeakPolarHBondContact O-CE2 3.17Å; I151-Y153 PolarHBondContact O-N 3.05Å; Y153-Q221 HydrophobicContact CD1-CB 4.18Å; Y153-Q221 HydrophobicContact CD1-CG 3.81Å; Y153-Q221 HydrophobicContact CE1-CB 3.78Å; Y153-Q221 HydrophobicContact CE1-CG 3.58Å
154	P	44.8	Very low	58.3	Low	55 Å²	55	75.1 Å²	75.1	36%	0.357	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-72	150.3	179.2	37.3	-36.6	0	0	0	108.5	R156 Y224	P154-R156 PolarHBondContact O-N 3.45Å; P154-Y224 HydrophobicContact CB-CD1 3.84Å; P154-Y224 HydrophobicContact CB-CG 4.15Å; P154-Y224 HydrophobicContact CG-CD1 3.49Å; P154-Y224 VanDerWaalsContact CG-CD1 3.49Å; P154-Y224 HydrophobicContact CG-CD2 4.24Å; P154-Y224 HydrophobicContact CG-CE1 4.24Å; P154-Y224 HydrophobicContact CG-CG 3.47Å; P154-Y224 VanDerWaalsContact CG-CG 3.47Å
155	A	39.7	Very low	57.1	Low	76 Å²	76	77 Å²	77	63%	0.628	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-55.9	141.2	157.5	0	0	0	0	0	108.3	I157	A155-I157 WeakPolarHBondContact O-CG1 3.45Å; A155-I157 PolarHBondContact O-N 3.44Å
156	R	38	Very low	55.6	Low	259 Å²	259	79.3 Å²	79.3	98%	0.977	42%	0.421	S	S	*	.			trans	-56.5	104.1	-179.5	-68.3	-176.8	-153.5	-166.9	4	109.6	P154	P154-R156 PolarHBondContact O-N 3.45Å
157	I	33.5	Very low	54.5	Low	123 Å²	123	80 Å²	80	63%	0.631	43%	0.426	S	S	*	.			trans	-125.6	133.7	178.7	-63.1	167.3	0	0	0	108.9	A155	A155-I157 WeakPolarHBondContact O-CG1 3.45Å; A155-I157 PolarHBondContact O-N 3.44Å
158	P	31.8	Very low	53.1	Low	114 Å²	114	80 Å²	80	74%	0.74	43%	0.426	S	S	*	.	S	Bend	trans	-71.8	134.3	-175.6	-12.9	28.4	0	0	0	112.6
159	S	34.5	Very low	51.8	Low	119 Å²	119	83.3 Å²	83.3	83%	0.832	44%	0.439	S	S	*	.			trans	68.3	100.1	162.9	62	0	0	0	0	118.5
160	L	41.3	Very low	50.8	Low	126 Å²	126	85.1 Å²	85.1	66%	0.66	45%	0.445	S	S	*	.			trans	-134.7	138.4	166.4	-105.7	145.4	0	0	0	111.3	Y224	L160-Y224 HydrophobicContact CB-CE1 4.37Å; L160-Y224 HydrophobicContact CD1-CE1 4.34Å
161	R	42.7	Very low	50.1	Low	248 Å²	248	88.5 Å²	88.5	94%	0.936	45%	0.453	S	S	*	.			trans	-74.8	134.1	-176.4	-78.3	178.7	176.3	166.1	-1	111.3
162	I	46.5	Very low	50.6	Low	62 Å²	62	96 Å²	96	32%	0.318	49%	0.488	S	S	.	.			trans	-86.2	135	-173.3	-50.4	173.2	0	0	0	109.9	Y164 F169	I162-Y164 HydrophobicContact CG2-CD2 3.86Å; I162-Y164 HydrophobicContact CG2-CG 4.38Å; I162-Y164 PolarHBondContact O-N 3.4Å; I162-F169 HydrophobicContact CB-CE2 4.42Å; I162-F169 HydrophobicContact CD1-CD2 4Å; I162-F169 HydrophobicContact CD1-CE2 4.12Å; I162-F169 HydrophobicContact CD1-CG 4.22Å; I162-F169 HydrophobicContact CD1-CZ 4.43Å; I162-F169 HydrophobicContact CG2-CE2 3.73Å; I162-F169 HydrophobicContact CG2-CZ 3.82Å
163	P	44.4	Very low	51.2	Low	37 Å²	37	97.8 Å²	97.8	24%	0.24	49%	0.489	C	S	.	.	S	Bend	trans	-77.5	3.7	-179.8	32.5	-35.4	0	0	0	113.8	A194 L223	P163-A194 WeakPolarHBondContact O-CB 3.4Å; P163-A194 PolarHBondContact O-N 3.22Å; P163-L223 HydrophobicContact CG-CD1 3.55Å; P163-L223 HydrophobicContact CG-CD2 3.63Å; P163-L223 HydrophobicContact CG-CG 4.25Å
164	Y	58.2	Low	52	Low	27 Å²	27	98.7 Å²	98.7	11%	0.106	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-98.9	153.4	172.4	-63	-58.6	0	0	0	109.6	I162 C166 F169 F192 F219 L223	I162-Y164 HydrophobicContact CG2-CD2 3.86Å; I162-Y164 HydrophobicContact CG2-CG 4.38Å; I162-Y164 PolarHBondContact O-N 3.4Å; Y164-C166 PolarHBondContact O-N 2.6Å; Y164-F169 HydrophobicContact CD2-CZ 4.17Å; Y164-F169 HydrophobicContact CG-CZ 4.39Å; Y164-F192 WeakPolarHBondContact CA-O 3.38Å; Y164-F192 AromaticContact CD1-CD1 3.84Å; Y164-F192 HydrophobicContact CD1-CD1 3.84Å; Y164-F192 AromaticContact CD1-CE1 3.26Å; Y164-F192 HydrophobicContact CD1-CE1 3.26Å; Y164-F192 HydrophobicContact CD1-CE2 4Å; Y164-F192 HydrophobicContact CD1-CG 4.42Å; Y164-F192 AromaticContact CD1-CZ 3.28Å; Y164-F192 HydrophobicContact CD1-CZ 3.28Å; Y164-F192 WeakPolarHBondContact CD1-O 2.94Å; Y164-F192 HydrophobicContact CD2-CZ 4.3Å; Y164-F192 AromaticContact CE1-CD1 3.84Å; Y164-F192 HydrophobicContact CE1-CD1 3.84Å; Y164-F192 AromaticContact CE1-CE1 3.06Å; Y164-F192 HydrophobicContact CE1-CE1 3.06Å; Y164-F192 AromaticContact CE1-CZ 3.44Å; Y164-F192 HydrophobicContact CE1-CZ 3.44Å; Y164-F192 VanDerWaalsContact CE1-CZ 3.44Å; Y164-F192 HydrophobicContact CE2-CZ 4.39Å; Y164-F192 HydrophobicContact CG-CE1 4.17Å; Y164-F192 HydrophobicContact CG-CE2 4.28Å; Y164-F192 AromaticContact CG-CZ 3.73Å; Y164-F192 HydrophobicContact CG-CZ 3.73Å; Y164-F192 AromaticContact CZ-CE1 3.8Å; Y164-F192 AromaticContact CZ-CZ 3.95Å; Y164-F219 HydrophobicContact CE2-CB 4.33Å; Y164-F219 AromaticContact CE2-CD1 3.34Å; Y164-F219 HydrophobicContact CE2-CD1 3.34Å; Y164-F219 AromaticContact CE2-CE1 3.81Å; Y164-F219 HydrophobicContact CE2-CE1 3.81Å; Y164-F219 AromaticContact CE2-CG 3.97Å; Y164-F219 HydrophobicContact CE2-CG 3.97Å; Y164-F219 AromaticContact CZ-CD1 3.38Å; Y164-F219 AromaticContact CZ-CE1 3.5Å; Y164-F219 VanDerWaalsContact CZ-CE1 3.5Å; Y164-F219 AromaticContact CZ-CG 3.86Å; Y164-F219 WeakPolarHBondContact OH-CD1 3.49Å; Y164-F219 WeakPolarHBondContact OH-CD2 3.45Å; Y164-F219 WeakPolarHBondContact OH-CE1 3.4Å; Y164-F219 VanDerWaalsContact OH-CE2 3.23Å; Y164-F219 WeakPolarHBondContact OH-CE2 3.36Å; Y164-F219 WeakPolarHBondContact OH-CG 3.38Å; Y164-F219 WeakPolarHBondContact OH-CZ 3.45Å; Y164-L223 HydrophobicContact CD2-CD1 4.26Å; Y164-L223 HydrophobicContact CE2-CD1 3.88Å
165	N	61.8	Low	53.1	Low	39 Å²	39	100.3 Å²	100.3	21%	0.209	50%	0.504	C	S	.	.			trans	-58.5	113.9	177.2	-178.2	-22.9	0	0	0	109.1	S167 Y168 F191 F192	N165-S167 VanDerWaalsContact CG-OG 3.29Å; N165-S167 PolarHBondContact O-N 2.84Å; N165-S167 WeakPolarHBondContact OD1-CB 3.41Å; N165-S167 PolarHBondContact OD1-N 3.1Å; N165-S167 VanDerWaalsContact OD1-N 3.16Å; N165-S167 PolarHBondContact OD1-OG 3.22Å; N165-Y168 HydrophobicContact CB-CD2 3.89Å; N165-Y168 HydrophobicContact CB-CE2 4.06Å; N165-Y168 WeakPolarHBondContact O-CB 3.44Å; N165-Y168 PolarHBondContact O-N 3.2Å; N165-F191 WeakPolarHBondContact CB-O 3.42Å; N165-F191 PolarHBondContact ND2-O 3.38Å; N165-F192 PolarHBondContact N-O 3Å
166	C	59.3	Low	54.9	Low	82 Å²	82	101.1 Å²	101.1	55%	0.554	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-55.1	-27.9	-171.5	-41.7	0	0	0	0	112	Y164 Y168 F169	Y164-C166 PolarHBondContact O-N 2.6Å; C166-Y168 PolarHBondContact O-N 2.77Å; C166-Y168 VanDerWaalsContact O-N 3.15Å; C166-F169 PolarHBondContact O-N 2.87Å
167	S	66	Low	56.5	Low	14 Å²	14	90.5 Å²	90.5	10%	0.098	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-58.8	-26.8	178.9	66	0	0	0	0	113	N165 F169 E170 R173	N165-S167 VanDerWaalsContact CG-OG 3.29Å; N165-S167 PolarHBondContact O-N 2.84Å; N165-S167 WeakPolarHBondContact OD1-CB 3.41Å; N165-S167 PolarHBondContact OD1-N 3.1Å; N165-S167 VanDerWaalsContact OD1-N 3.16Å; N165-S167 PolarHBondContact OD1-OG 3.22Å; S167-F169 PolarHBondContact O-N 3.45Å; S167-E170 WeakPolarHBondContact O-CB 3.39Å; S167-E170 PolarHBondContact O-N 2.86Å; S167-R173 WeakPolarHBondContact O-CB 3.32Å; S167-R173 WeakPolarHBondContact O-CD 3.36Å; S167-R173 PolarHBondContact O-NE 3.48Å; S167-R173 PolarHBondContact OG-NH1 2.88Å
168	Y	63.8	Low	57.9	Low	19 Å²	19	88.7 Å²	88.7	8%	0.075	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-70.3	-10.6	175.4	-69.5	-55.1	0	0	0	114.8	N165 C166 R173 Q174 I177 L189 H190 F192	N165-Y168 HydrophobicContact CB-CD2 3.89Å; N165-Y168 HydrophobicContact CB-CE2 4.06Å; N165-Y168 WeakPolarHBondContact O-CB 3.44Å; N165-Y168 PolarHBondContact O-N 3.2Å; C166-Y168 PolarHBondContact O-N 2.77Å; C166-Y168 VanDerWaalsContact O-N 3.15Å; Y168-R173 HydrophobicContact CD1-CG 4.36Å; Y168-Q174 PolarHBondContact O-NE2 2.86Å; Y168-I177 HydrophobicContact CD1-CD1 3.76Å; Y168-I177 HydrophobicContact CE1-CD1 4.41Å; Y168-L189 HydrophobicContact CD1-CD2 4.24Å; Y168-L189 HydrophobicContact CE1-CB 4.17Å; Y168-L189 HydrophobicContact CE1-CD2 3.66Å; Y168-L189 HydrophobicContact CE1-CG 4.32Å; Y168-L189 HydrophobicContact CE2-CB 4.44Å; Y168-H190 WeakPolarHBondContact CE2-O 3.24Å; Y168-H190 PolarHBondContact OH-N 2.66Å; Y168-H190 PolarHBondContact OH-O 3.11Å; Y168-F192 AromaticContact CD2-CD2 3.88Å; Y168-F192 HydrophobicContact CD2-CD2 3.88Å; Y168-F192 HydrophobicContact CD2-CE2 4.37Å; Y168-F192 HydrophobicContact CE2-CD2 4.09Å
169	F	61.3	Low	59.9	Low	73 Å²	73	86 Å²	86	32%	0.32	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-104.5	2	176.9	-52.6	-81.4	0	0	0	112.6	I162 Y164 C166 S167	I162-F169 HydrophobicContact CB-CE2 4.42Å; I162-F169 HydrophobicContact CD1-CD2 4Å; I162-F169 HydrophobicContact CD1-CE2 4.12Å; I162-F169 HydrophobicContact CD1-CG 4.22Å; I162-F169 HydrophobicContact CD1-CZ 4.43Å; I162-F169 HydrophobicContact CG2-CE2 3.73Å; I162-F169 HydrophobicContact CG2-CZ 3.82Å; Y164-F169 HydrophobicContact CD2-CZ 4.17Å; Y164-F169 HydrophobicContact CG-CZ 4.39Å; C166-F169 PolarHBondContact O-N 2.87Å; S167-F169 PolarHBondContact O-N 3.45Å
170	E	62.8	Low	61.5	Low	106 Å²	106	82.8 Å²	82.8	50%	0.495	41%	0.405	S	S	.	.	S	Bend	trans	-68.6	136.6	170.3	-66.4	166.3	-178.8	0	0	109.7	S167 E172 R173 Q174	S167-E170 WeakPolarHBondContact O-CB 3.39Å; S167-E170 PolarHBondContact O-N 2.86Å; E170-E172 PolarHBondContact O-N 3.11Å; E170-R173 HydrophobicContact CB-CB 4.26Å; E170-R173 PolarHBondContact O-N 2.99Å; E170-Q174 WeakPolarHBondContact O-CG 3.45Å; E170-Q174 PolarHBondContact O-N 2.88Å
171	E	54.9	Low	62.5	Low	155 Å²	155	79.1 Å²	79.1	72%	0.724	38%	0.384	S	S	*	.	H	α-helix	trans	-56.2	-46.7	-174.6	-172.1	175.3	-177.8	0	0	112.3	R173 Q174 V175	E171-R173 VanDerWaalsContact C-N 3.25Å; E171-R173 PolarHBondContact O-N 3.16Å; E171-Q174 WeakPolarHBondContact O-CB 3.45Å; E171-Q174 PolarHBondContact O-N 3.43Å; E171-V175 WeakPolarHBondContact O-CG2 3.28Å; E171-V175 PolarHBondContact O-N 3.24Å
172	E	70.8	Confident	63.2	Low	170 Å²	170	72.8 Å²	72.8	79%	0.794	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-37.3	176.9	-66.4	-176.3	174.3	0	0	112.2	E170 L176	E170-E172 PolarHBondContact O-N 3.11Å; E172-L176 WeakPolarHBondContact O-CB 3.4Å; E172-L176 PolarHBondContact O-N 2.97Å
173	R	70	Confident	64.2	Low	94 Å²	94	73.8 Å²	73.8	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-75.2	-34.3	-180	-157.9	178.3	-68.4	-130.8	-5.8	111.6	S167 Y168 E170 E171 L176 I177	S167-R173 WeakPolarHBondContact O-CB 3.32Å; S167-R173 WeakPolarHBondContact O-CD 3.36Å; S167-R173 PolarHBondContact O-NE 3.48Å; S167-R173 PolarHBondContact OG-NH1 2.88Å; Y168-R173 HydrophobicContact CD1-CG 4.36Å; E170-R173 HydrophobicContact CB-CB 4.26Å; E170-R173 PolarHBondContact O-N 2.99Å; E171-R173 VanDerWaalsContact C-N 3.25Å; E171-R173 PolarHBondContact O-N 3.16Å; R173-L176 PolarHBondContact O-N 3.46Å; R173-I177 HydrophobicContact CG-CD1 4.37Å; R173-I177 WeakPolarHBondContact O-CB 3.4Å; R173-I177 VanDerWaalsContact O-CG1 3.22Å; R173-I177 WeakPolarHBondContact O-CG1 3.49Å; R173-I177 PolarHBondContact O-N 2.9Å
174	Q	64.9	Low	64.9	Low	74 Å²	74	77.7 Å²	77.7	35%	0.346	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-46.2	172.1	-72.7	-87	-27	0	0	111.1	Y168 E170 E171 L176 I177 Q178	Y168-Q174 PolarHBondContact O-NE2 2.86Å; E170-Q174 WeakPolarHBondContact O-CG 3.45Å; E170-Q174 PolarHBondContact O-N 2.88Å; E171-Q174 WeakPolarHBondContact O-CB 3.45Å; E171-Q174 PolarHBondContact O-N 3.43Å; Q174-L176 VanDerWaalsContact C-N 3.3Å; Q174-L176 PolarHBondContact O-N 3.41Å; Q174-I177 PolarHBondContact O-N 2.77Å; Q174-Q178 WeakPolarHBondContact O-CB 3.41Å; Q174-Q178 PolarHBondContact O-N 2.87Å
175	V	69.8	Low	64.5	Low	90 Å²	90	78.7 Å²	78.7	55%	0.545	41%	0.407	S	S	.	.	H	α-helix	trans	-59.6	-42	174.9	172.6	0	0	0	0	111	E171 Q178 S179	E171-V175 WeakPolarHBondContact O-CG2 3.28Å; E171-V175 PolarHBondContact O-N 3.24Å; V175-Q178 PolarHBondContact O-N 3.09Å; V175-S179 WeakPolarHBondContact O-CB 3.37Å; V175-S179 PolarHBondContact O-N 3.45Å
176	L	76.7	Confident	63.9	Low	93 Å²	93	78.8 Å²	78.8	49%	0.487	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-42.7	176.5	-179.3	63.6	0	0	0	112.5	E172 R173 Q174 Q178 S179 I180	E172-L176 WeakPolarHBondContact O-CB 3.4Å; E172-L176 PolarHBondContact O-N 2.97Å; R173-L176 PolarHBondContact O-N 3.46Å; Q174-L176 VanDerWaalsContact C-N 3.3Å; Q174-L176 PolarHBondContact O-N 3.41Å; L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 PolarHBondContact O-N 3.46Å; L176-S179 PolarHBondContact O-N 2.77Å; L176-S179 PolarHBondContact O-OG 3.39Å; L176-I180 HydrophobicContact CD1-CD1 3.86Å; L176-I180 HydrophobicContact CD1-CG1 4.13Å; L176-I180 HydrophobicContact CD2-CD1 4.48Å; L176-I180 HydrophobicContact CG-CD1 3.8Å; L176-I180 HydrophobicContact CG-CG1 4.44Å; L176-I180 WeakPolarHBondContact O-CB 3.3Å; L176-I180 VanDerWaalsContact O-CG1 3.23Å; L176-I180 WeakPolarHBondContact O-CG1 3.39Å; L176-I180 PolarHBondContact O-N 2.78Å
177	I	71.4	Confident	64.4	Low	35 Å²	35	75.8 Å²	75.8	18%	0.179	38%	0.384	C	S	.	.	H	α-helix	trans	-59.1	-48.1	175.6	-77.8	167.2	0	0	0	109.8	Y168 R173 Q174 I180 F181 I187 L189	Y168-I177 HydrophobicContact CD1-CD1 3.76Å; Y168-I177 HydrophobicContact CE1-CD1 4.41Å; R173-I177 HydrophobicContact CG-CD1 4.37Å; R173-I177 WeakPolarHBondContact O-CB 3.4Å; R173-I177 VanDerWaalsContact O-CG1 3.22Å; R173-I177 WeakPolarHBondContact O-CG1 3.49Å; R173-I177 PolarHBondContact O-N 2.9Å; Q174-I177 PolarHBondContact O-N 2.77Å; I177-I180 PolarHBondContact O-N 3.28Å; I177-F181 WeakPolarHBondContact O-CB 3.12Å; I177-F181 PolarHBondContact O-N 3.06Å; I177-I187 HydrophobicContact CB-CD1 3.96Å; I177-I187 HydrophobicContact CG1-CD1 3.76Å; I177-I187 HydrophobicContact CG2-CD1 3.88Å; I177-L189 HydrophobicContact CD1-CD2 4.07Å; I177-L189 HydrophobicContact CG1-CD2 4.07Å
178	Q	62.8	Low	63.9	Low	85 Å²	85	78.4 Å²	78.4	40%	0.397	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-48.6	177.8	-178.6	170.6	0.5	0	0	110.8	Q174 V175 L176 I180 F181 E182	Q174-Q178 WeakPolarHBondContact O-CB 3.41Å; Q174-Q178 PolarHBondContact O-N 2.87Å; V175-Q178 PolarHBondContact O-N 3.09Å; L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 PolarHBondContact O-N 3.46Å; Q178-I180 PolarHBondContact O-N 3.04Å; Q178-F181 PolarHBondContact O-N 3.35Å; Q178-E182 HydrophobicContact CG-CG 4.2Å; Q178-E182 VanDerWaalsContact CG-OE1 3.31Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.4Å; Q178-E182 PolarHBondContact NE2-OE1 2.66Å; Q178-E182 WeakPolarHBondContact O-CB 3.34Å; Q178-E182 VanDerWaalsContact O-CG 3.31Å; Q178-E182 WeakPolarHBondContact O-CG 3.48Å; Q178-E182 PolarHBondContact O-N 3.04Å
179	S	73.4	Confident	63.9	Low	57 Å²	57	78.8 Å²	78.8	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-64	-40.9	-179	84.3	0	0	0	0	112.6	V175 L176 F181 A183	V175-S179 WeakPolarHBondContact O-CB 3.37Å; V175-S179 PolarHBondContact O-N 3.45Å; L176-S179 PolarHBondContact O-N 2.77Å; L176-S179 PolarHBondContact O-OG 3.39Å; S179-F181 VanDerWaalsContact C-N 3.34Å; S179-A183 WeakPolarHBondContact O-CB 3.48Å; S179-A183 PolarHBondContact O-N 3.38Å
180	I	67.9	Low	64.1	Low	52 Å²	52	80 Å²	80	27%	0.267	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-44	175.9	-69.6	170	0	0	0	110	L176 I177 Q178 A183 K184 I187	L176-I180 HydrophobicContact CD1-CD1 3.86Å; L176-I180 HydrophobicContact CD1-CG1 4.13Å; L176-I180 HydrophobicContact CD2-CD1 4.48Å; L176-I180 HydrophobicContact CG-CD1 3.8Å; L176-I180 HydrophobicContact CG-CG1 4.44Å; L176-I180 WeakPolarHBondContact O-CB 3.3Å; L176-I180 VanDerWaalsContact O-CG1 3.23Å; L176-I180 WeakPolarHBondContact O-CG1 3.39Å; L176-I180 PolarHBondContact O-N 2.78Å; I177-I180 PolarHBondContact O-N 3.28Å; Q178-I180 PolarHBondContact O-N 3.04Å; I180-A183 PolarHBondContact O-N 3.45Å; I180-K184 HydrophobicContact CG2-CD 4.29Å; I180-K184 WeakPolarHBondContact O-CB 3.06Å; I180-K184 PolarHBondContact O-N 2.76Å; I180-I187 HydrophobicContact CB-CD1 4.06Å; I180-I187 HydrophobicContact CD1-CD1 4.47Å; I180-I187 HydrophobicContact CG2-CB 4.38Å; I180-I187 HydrophobicContact CG2-CD1 3.94Å; I180-I187 HydrophobicContact CG2-CG1 3.94Å
181	F	63.3	Low	64.3	Low	50 Å²	50	83.3 Å²	83.3	22%	0.219	42%	0.417	C	S	.	.	H	α-helix	trans	-70.1	-42.7	-177.7	-167.3	-94.9	0	0	0	112.1	I177 Q178 S179 A183 K184 S185 I187 V213	I177-F181 WeakPolarHBondContact O-CB 3.12Å; I177-F181 PolarHBondContact O-N 3.06Å; Q178-F181 PolarHBondContact O-N 3.35Å; S179-F181 VanDerWaalsContact C-N 3.34Å; F181-A183 VanDerWaalsContact C-N 3.3Å; F181-A183 PolarHBondContact O-N 2.88Å; F181-K184 PolarHBondContact O-N 3.32Å; F181-S185 WeakPolarHBondContact O-CA 3.43Å; F181-S185 PolarHBondContact O-N 2.71Å; F181-I187 HydrophobicContact CD2-CB 4.37Å; F181-I187 HydrophobicContact CD2-CG2 4.13Å; F181-V213 HydrophobicContact CD1-CG2 3.86Å; F181-V213 HydrophobicContact CD2-CG2 3.75Å; F181-V213 HydrophobicContact CE1-CB 4.13Å; F181-V213 HydrophobicContact CE1-CG2 3.47Å; F181-V213 VanDerWaalsContact CE1-CG2 3.47Å; F181-V213 HydrophobicContact CE2-CG2 3.35Å; F181-V213 HydrophobicContact CG-CG2 4Å; F181-V213 HydrophobicContact CZ-CB 4.16Å; F181-V213 HydrophobicContact CZ-CG2 3.21Å
182	E	57.7	Low	64.6	Low	114 Å²	114	78 Å²	78	53%	0.533	39%	0.392	S	S	.	.	H	α-helix	trans	-59.8	-42.5	173.3	-75.1	176.4	178.9	0	0	111.1	Q178	Q178-E182 HydrophobicContact CG-CG 4.2Å; Q178-E182 VanDerWaalsContact CG-OE1 3.31Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.4Å; Q178-E182 PolarHBondContact NE2-OE1 2.66Å; Q178-E182 WeakPolarHBondContact O-CB 3.34Å; Q178-E182 VanDerWaalsContact O-CG 3.31Å; Q178-E182 WeakPolarHBondContact O-CG 3.48Å; Q178-E182 PolarHBondContact O-N 3.04Å
183	A	66.4	Low	63.5	Low	83 Å²	83	76.8 Å²	76.8	69%	0.686	38%	0.38	S	S	*	.	H	α-helix	trans	-73.7	-33.7	-178.3	0	0	0	0	0	113.8	S179 I180 F181	S179-A183 WeakPolarHBondContact O-CB 3.48Å; S179-A183 PolarHBondContact O-N 3.38Å; I180-A183 PolarHBondContact O-N 3.45Å; F181-A183 VanDerWaalsContact C-N 3.3Å; F181-A183 PolarHBondContact O-N 2.88Å
184	K	59.8	Low	62.9	Low	120 Å²	120	72.6 Å²	72.6	52%	0.522	37%	0.366	S	S	.	.	H	α-helix	trans	-117.3	-15.6	-168.7	-57.1	-174.4	-178.5	173	0	114.3	I180 F181 E186	I180-K184 HydrophobicContact CG2-CD 4.29Å; I180-K184 WeakPolarHBondContact O-CB 3.06Å; I180-K184 PolarHBondContact O-N 2.76Å; F181-K184 PolarHBondContact O-N 3.32Å; K184-E186 HydrophobicContact CB-CG 3.67Å; K184-E186 WeakPolarHBondContact O-CG 3.35Å; K184-E186 PolarHBondContact O-N 2.93Å
185	S	50.8	Low	62.3	Low	48 Å²	48	74 Å²	74	34%	0.336	38%	0.381	S	S	.	.	S	Bend	trans	55.9	25.5	-169.9	-42.8	0	0	0	0	113.4	F181 R210	F181-S185 WeakPolarHBondContact O-CA 3.43Å; F181-S185 PolarHBondContact O-N 2.71Å; S185-R210 PolarHBondContact O-N 3.2Å; S185-R210 VanDerWaalsContact O-N 3.11Å
186	E	49.2	Very low	61.4	Low	40 Å²	40	75 Å²	75	19%	0.187	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	149.6	-179.5	59	-175.2	-119.6	0	0	110.7	K184 M208 R209	K184-E186 HydrophobicContact CB-CG 3.67Å; K184-E186 WeakPolarHBondContact O-CG 3.35Å; K184-E186 PolarHBondContact O-N 2.93Å; E186-M208 VanDerWaalsContact CA-O 3.28Å; E186-M208 WeakPolarHBondContact CA-O 3.42Å; E186-M208 WeakPolarHBondContact CB-O 3.26Å; E186-R209 HydrophobicContact CB-CB 4.1Å; E186-R209 HydrophobicContact CB-CG 3.58Å; E186-R209 HydrophobicContact CG-CG 4.47Å; E186-R209 IonicContact OE1-CZ 3.7Å; E186-R209 IonicContact OE1-NE 3.23Å; E186-R209 PolarHBondContact OE1-NE 2.95Å; E186-R209 VanDerWaalsContact OE1-NE 3.13Å; E186-R209 IonicContact OE1-NH2 3.72Å; E186-R209 PolarHBondContact OE1-NH2 2.94Å; E186-R209 WeakPolarHBondContact OE2-CD 2.96Å; E186-R209 IonicContact OE2-CZ 3.33Å; E186-R209 IonicContact OE2-NE 2.77Å; E186-R209 PolarHBondContact OE2-NE 3.13Å; E186-R209 IonicContact OE2-NH1 2.84Å; E186-R209 PolarHBondContact OE2-NH1 2.91Å; E186-R209 IonicContact OE2-NH2 3.46Å; E186-R209 PolarHBondContact OE2-NH2 3.05Å; E186-R209 VanDerWaalsContact OE2-NH2 3.11Å
187	I	68.7	Low	59.7	Low	20 Å²	20	72.9 Å²	72.9	10%	0.103	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.2	172.4	-162.6	163.9	0	0	0	110.9	I177 I180 F181 L189 M208	I177-I187 HydrophobicContact CB-CD1 3.96Å; I177-I187 HydrophobicContact CG1-CD1 3.76Å; I177-I187 HydrophobicContact CG2-CD1 3.88Å; I180-I187 HydrophobicContact CB-CD1 4.06Å; I180-I187 HydrophobicContact CD1-CD1 4.47Å; I180-I187 HydrophobicContact CG2-CB 4.38Å; I180-I187 HydrophobicContact CG2-CD1 3.94Å; I180-I187 HydrophobicContact CG2-CG1 3.94Å; F181-I187 HydrophobicContact CD2-CB 4.37Å; F181-I187 HydrophobicContact CD2-CG2 4.13Å; I187-L189 HydrophobicContact CD1-CD2 3.83Å; I187-L189 HydrophobicContact CG1-CD2 3.88Å; I187-L189 HydrophobicContact CG1-CG 4.49Å; I187-L189 HydrophobicContact CG2-CG 4.39Å; I187-M208 PolarHBondContact N-O 3.22Å; I187-M208 PolarHBondContact O-N 3.34Å; I187-M208 VanDerWaalsContact O-N 3.08Å
188	E	55.8	Low	58.2	Low	68 Å²	68	74.6 Å²	74.6	32%	0.318	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	115.7	178.4	-164.6	162.8	-169.6	0	0	107.7	I205 R207	E188-I205 HydrophobicContact CG-CG2 4.31Å; E188-I205 WeakPolarHBondContact OE1-CG2 3.22Å; E188-R207 HydrophobicContact CB-CG 4.36Å; E188-R207 HydrophobicContact CG-CB 4.26Å; E188-R207 HydrophobicContact CG-CG 4.13Å; E188-R207 WeakPolarHBondContact OE2-CD 3.42Å; E188-R207 IonicContact OE2-CZ 3.07Å; E188-R207 IonicContact OE2-NE 2.72Å; E188-R207 PolarHBondContact OE2-NE 3.2Å
189	L	64	Low	57	Low	27 Å²	27	79.7 Å²	79.7	14%	0.141	42%	0.423	C	S	.	.			trans	-108.6	111.2	-174.4	-59.2	-179.7	0	0	0	109.3	Y168 I177 I187 F192	Y168-L189 HydrophobicContact CD1-CD2 4.24Å; Y168-L189 HydrophobicContact CE1-CB 4.17Å; Y168-L189 HydrophobicContact CE1-CD2 3.66Å; Y168-L189 HydrophobicContact CE1-CG 4.32Å; Y168-L189 HydrophobicContact CE2-CB 4.44Å; I177-L189 HydrophobicContact CD1-CD2 4.07Å; I177-L189 HydrophobicContact CG1-CD2 4.07Å; I187-L189 HydrophobicContact CD1-CD2 3.83Å; I187-L189 HydrophobicContact CG1-CD2 3.88Å; I187-L189 HydrophobicContact CG1-CG 4.49Å; I187-L189 HydrophobicContact CG2-CG 4.39Å; L189-F192 HydrophobicContact CB-CD2 4.44Å; L189-F192 HydrophobicContact CD1-CD2 4.2Å
190	H	65.6	Low	55.2	Low	100 Å²	100	82.9 Å²	82.9	46%	0.463	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	142.9	179.5	-68.8	-87.1	0	0	0	111.8	Y168 F192	Y168-H190 WeakPolarHBondContact CE2-O 3.24Å; Y168-H190 PolarHBondContact OH-N 2.66Å; Y168-H190 PolarHBondContact OH-O 3.11Å; H190-F192 VanDerWaalsContact C-N 3.26Å; H190-F192 PolarHBondContact O-N 3.45Å
191	F	67.3	Low	53.4	Low	174 Å²	174	84.4 Å²	84.4	76%	0.763	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	45.6	-179.2	-49	-77.8	0	0	0	112.3	N165 R193	N165-F191 WeakPolarHBondContact CB-O 3.42Å; N165-F191 PolarHBondContact ND2-O 3.38Å; F191-R193 PolarHBondContact O-N 2.78Å
192	F	61	Low	51.8	Low	43 Å²	43	87.5 Å²	87.5	19%	0.189	48%	0.48	C	S	.	.			trans	-61.1	-33.1	-176.6	-177.8	-117	0	0	0	112.4	Y164 N165 Y168 L189 H190 F216	Y164-F192 WeakPolarHBondContact CA-O 3.38Å; Y164-F192 AromaticContact CD1-CD1 3.84Å; Y164-F192 HydrophobicContact CD1-CD1 3.84Å; Y164-F192 AromaticContact CD1-CE1 3.26Å; Y164-F192 HydrophobicContact CD1-CE1 3.26Å; Y164-F192 HydrophobicContact CD1-CE2 4Å; Y164-F192 HydrophobicContact CD1-CG 4.42Å; Y164-F192 AromaticContact CD1-CZ 3.28Å; Y164-F192 HydrophobicContact CD1-CZ 3.28Å; Y164-F192 WeakPolarHBondContact CD1-O 2.94Å; Y164-F192 HydrophobicContact CD2-CZ 4.3Å; Y164-F192 AromaticContact CE1-CD1 3.84Å; Y164-F192 HydrophobicContact CE1-CD1 3.84Å; Y164-F192 AromaticContact CE1-CE1 3.06Å; Y164-F192 HydrophobicContact CE1-CE1 3.06Å; Y164-F192 AromaticContact CE1-CZ 3.44Å; Y164-F192 HydrophobicContact CE1-CZ 3.44Å; Y164-F192 VanDerWaalsContact CE1-CZ 3.44Å; Y164-F192 HydrophobicContact CE2-CZ 4.39Å; Y164-F192 HydrophobicContact CG-CE1 4.17Å; Y164-F192 HydrophobicContact CG-CE2 4.28Å; Y164-F192 AromaticContact CG-CZ 3.73Å; Y164-F192 HydrophobicContact CG-CZ 3.73Å; Y164-F192 AromaticContact CZ-CE1 3.8Å; Y164-F192 AromaticContact CZ-CZ 3.95Å; N165-F192 PolarHBondContact N-O 3Å; Y168-F192 AromaticContact CD2-CD2 3.88Å; Y168-F192 HydrophobicContact CD2-CD2 3.88Å; Y168-F192 HydrophobicContact CD2-CE2 4.37Å; Y168-F192 HydrophobicContact CE2-CD2 4.09Å; L189-F192 HydrophobicContact CB-CD2 4.44Å; L189-F192 HydrophobicContact CD1-CD2 4.2Å; H190-F192 VanDerWaalsContact C-N 3.26Å; H190-F192 PolarHBondContact O-N 3.45Å; F192-F216 HydrophobicContact CD1-CZ 4.11Å; F192-F216 HydrophobicContact CD2-CE1 4.3Å; F192-F216 HydrophobicContact CD2-CZ 4.02Å; F192-F216 AromaticContact CE1-CE1 3.96Å; F192-F216 HydrophobicContact CE1-CE1 3.96Å; F192-F216 HydrophobicContact CE1-CE2 4.09Å; F192-F216 AromaticContact CE1-CZ 3.33Å; F192-F216 HydrophobicContact CE1-CZ 3.33Å; F192-F216 AromaticContact CE2-CE1 3.25Å; F192-F216 HydrophobicContact CE2-CE1 3.25Å; F192-F216 AromaticContact CE2-CZ 3.29Å; F192-F216 HydrophobicContact CE2-CZ 3.29Å; F192-F216 HydrophobicContact CG-CZ 4.43Å; F192-F216 HydrophobicContact CZ-CD1 4.24Å; F192-F216 AromaticContact CZ-CE1 3.06Å; F192-F216 HydrophobicContact CZ-CE1 3.06Å; F192-F216 HydrophobicContact CZ-CE2 4.01Å; F192-F216 AromaticContact CZ-CZ 2.92Å; F192-F216 HydrophobicContact CZ-CZ 2.92Å
193	R	47.1	Very low	50.5	Low	145 Å²	145	87.9 Å²	87.9	55%	0.547	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-82	146.5	171.3	-71.9	-170.6	179.1	-174	0.5	111.9	F191	F191-R193 PolarHBondContact O-N 2.78Å
194	A	56.5	Low	48.9	Very low	7 Å²	7	87.3 Å²	87.3	6%	0.058	50%	0.498	C	S	.	.			trans	-61.8	144.5	170.5	0	0	0	0	0	110.3	P163 S196 C197	P163-A194 WeakPolarHBondContact O-CB 3.4Å; P163-A194 PolarHBondContact O-N 3.22Å; A194-S196 PolarHBondContact O-N 2.84Å; A194-S196 VanDerWaalsContact O-N 3.11Å; A194-C197 PolarHBondContact O-N 2.84Å
195	P	54.1	Low	47.7	Very low	103 Å²	103	87.6 Å²	87.6	67%	0.669	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-56.9	-27.2	-179.7	-24.1	32.6	0	0	0	114.1	C197 S198	P195-C197 PolarHBondContact O-N 3.26Å; P195-S198 PolarHBondContact O-N 2.96Å; P195-S198 PolarHBondContact O-OG 3.44Å
196	S	49.5	Very low	47.1	Very low	111 Å²	111	91.3 Å²	91.3	78%	0.776	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-69.7	-10.3	175.3	55.8	0	0	0	0	114.2	A194	A194-S196 PolarHBondContact O-N 2.84Å; A194-S196 VanDerWaalsContact O-N 3.11Å
197	C	41.2	Very low	46.2	Very low	48 Å²	48	93.4 Å²	93.4	32%	0.324	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-107.7	7.3	176.4	-73.3	0	0	0	0	113.1	A194 P195	A194-C197 PolarHBondContact O-N 2.84Å; P195-C197 PolarHBondContact O-N 3.26Å
198	S	40.4	Very low	44.5	Very low	71 Å²	71	94 Å²	94	50%	0.497	52%	0.523	S	S	.	.			trans	-91.3	-3.4	-173.1	57.7	0	0	0	0	115.8	P195 T200	P195-S198 PolarHBondContact O-N 2.96Å; P195-S198 PolarHBondContact O-OG 3.44Å; S198-T200 VanDerWaalsContact C-N 3.26Å; S198-T200 PolarHBondContact O-N 3.27Å
199	E	38	Very low	43.1	Very low	192 Å²	192	93.3 Å²	93.3	90%	0.897	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.4	-179	-67.6	-169.8	171.2	0	0	114.3
200	T	35.3	Very low	41.4	Very low	124 Å²	124	98 Å²	98	76%	0.761	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	10.4	-177.7	52.5	0	0	0	0	115.9	S198	S198-T200 VanDerWaalsContact C-N 3.26Å; S198-T200 PolarHBondContact O-N 3.27Å
201	C	30.1	Very low	39.6	Very low	84 Å²	84	96.7 Å²	96.7	57%	0.568	53%	0.526	S	S	*	.			trans	-151.1	109.5	175.4	-145.4	0	0	0	0	113.1	S203	C201-S203 PolarHBondContact O-N 3.17Å
202	P	29.1	Very low	37.9	Very low	115 Å²	115	89.1 Å²	89.1	75%	0.747	49%	0.493	S	S	*	.			trans	-74.8	124.2	177.1	27.5	-25.8	0	0	0	110.1
203	S	31	Very low	36.5	Very low	122 Å²	122	90.2 Å²	90.2	85%	0.853	50%	0.503	S	S	*	.			trans	49.4	91.4	158.8	54.1	0	0	0	0	117	C201	C201-S203 PolarHBondContact O-N 3.17Å
204	G	32.3	Very low	36	Very low	71 Å²	71	85.2 Å²	85.2	73%	0.732	49%	0.486	S	S	*	.			trans	-132.6	96.8	167.1	0	0	0	0	0	112	K206	G204-K206 PolarHBondContact O-N 3.09Å
205	I	34	Very low	34.9	Very low	127 Å²	127	85.5 Å²	85.5	65%	0.651	49%	0.488	S	S	*	.			trans	-69	116.7	163.8	-66.8	171.8	0	0	0	106.9	E188	E188-I205 HydrophobicContact CG-CG2 4.31Å; E188-I205 WeakPolarHBondContact OE1-CG2 3.22Å
206	K	38.4	Very low	33.8	Very low	126 Å²	126	84.5 Å²	84.5	55%	0.548	47%	0.473	S	S	.	.			trans	-104.5	112.1	173.3	-75.9	-166.3	176.4	-168.7	0	109.6	G204	G204-K206 PolarHBondContact O-N 3.09Å
207	R	30.5	Very low	33	Very low	84 Å²	84	82.5 Å²	82.5	32%	0.317	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.5	176.2	-163.1	171.6	-166.4	179.7	0.6	108.9	H7 E188	H7-R207 PolarHBondContact CD2-NH1 3.11Å; E188-R207 HydrophobicContact CB-CG 4.36Å; E188-R207 HydrophobicContact CG-CB 4.26Å; E188-R207 HydrophobicContact CG-CG 4.13Å; E188-R207 WeakPolarHBondContact OE2-CD 3.42Å; E188-R207 IonicContact OE2-CZ 3.07Å; E188-R207 IonicContact OE2-NE 2.72Å; E188-R207 PolarHBondContact OE2-NE 3.2Å
208	M	33	Very low	32.5	Very low	33 Å²	33	81 Å²	81	16%	0.163	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118	-179.1	-106.7	174.3	-86	0	0	109.4	E186 I187 F216	E186-M208 VanDerWaalsContact CA-O 3.28Å; E186-M208 WeakPolarHBondContact CA-O 3.42Å; E186-M208 WeakPolarHBondContact CB-O 3.26Å; I187-M208 PolarHBondContact N-O 3.22Å; I187-M208 PolarHBondContact O-N 3.34Å; I187-M208 VanDerWaalsContact O-N 3.08Å; M208-F216 HydrophobicContact CE-CD2 4.39Å; M208-F216 HydrophobicContact CE-CE2 3.58Å; M208-F216 HydrophobicContact CE-CZ 4.13Å; M208-F216 HydrophobicContact SD-CD2 4.38Å; M208-F216 HydrophobicContact SD-CE2 4.14Å
209	R	26.3	Very low	32.1	Very low	53 Å²	53	80.7 Å²	80.7	20%	0.2	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.6	173.2	-62.4	-156.1	166.5	-166.9	-13.5	110.4	E186	E186-R209 HydrophobicContact CB-CB 4.1Å; E186-R209 HydrophobicContact CB-CG 3.58Å; E186-R209 HydrophobicContact CG-CG 4.47Å; E186-R209 IonicContact OE1-CZ 3.7Å; E186-R209 IonicContact OE1-NE 3.23Å; E186-R209 PolarHBondContact OE1-NE 2.95Å; E186-R209 VanDerWaalsContact OE1-NE 3.13Å; E186-R209 IonicContact OE1-NH2 3.72Å; E186-R209 PolarHBondContact OE1-NH2 2.94Å; E186-R209 WeakPolarHBondContact OE2-CD 2.96Å; E186-R209 IonicContact OE2-CZ 3.33Å; E186-R209 IonicContact OE2-NE 2.77Å; E186-R209 PolarHBondContact OE2-NE 3.13Å; E186-R209 IonicContact OE2-NH1 2.84Å; E186-R209 PolarHBondContact OE2-NH1 2.91Å; E186-R209 IonicContact OE2-NH2 3.46Å; E186-R209 PolarHBondContact OE2-NH2 3.05Å; E186-R209 VanDerWaalsContact OE2-NH2 3.11Å
210	R	28.3	Very low	31.9	Very low	124 Å²	124	76.1 Å²	76.1	47%	0.468	41%	0.407	S	S	.	.	S	Bend	trans	38.4	116.7	164.6	-73.3	-176.2	172.6	-169.8	-6.1	116.9	S185	S185-R210 PolarHBondContact O-N 3.2Å; S185-R210 VanDerWaalsContact O-N 3.11Å
211	F	29.1	Very low	31.8	Very low	74 Å²	74	72 Å²	72	33%	0.325	38%	0.379	S	S	.	.	S	Bend	trans	99.1	-1.9	-177	-83.3	-89.7	0	0	0	118	C19 F55 L105	C19-F211 HydrophobicContact CB-CD2 4.49Å; C19-F211 HydrophobicContact CB-CE2 4.18Å; F55-F211 HydrophobicContact CE1-CE1 4.06Å; F55-F211 HydrophobicContact CE1-CZ 4.34Å; L105-F211 HydrophobicContact CD1-CE1 3.74Å; L105-F211 HydrophobicContact CD1-CZ 4.08Å; L105-F211 HydrophobicContact CD2-CE1 4.42Å
212	F	30.9	Very low	31.9	Very low	15 Å²	15	72.9 Å²	72.9	7%	0.066	37%	0.371	C	S	.	.			trans	-137.6	90.2	-163.7	-122.1	-106.9	0	0	0	115.4	W63 I64 L67 T68 A215	W63-F212 HydrophobicContact CD2-CE2 4.27Å; W63-F212 AromaticContact CE3-CD2 3.78Å; W63-F212 HydrophobicContact CE3-CD2 3.78Å; W63-F212 AromaticContact CE3-CE2 3.3Å; W63-F212 HydrophobicContact CE3-CE2 3.3Å; W63-F212 HydrophobicContact CE3-CZ 4.13Å; W63-F212 HydrophobicContact CH2-CB 3.94Å; W63-F212 HydrophobicContact CH2-CD1 4.45Å; W63-F212 AromaticContact CH2-CD2 3.26Å; W63-F212 HydrophobicContact CH2-CD2 3.26Å; W63-F212 AromaticContact CH2-CE2 3.58Å; W63-F212 HydrophobicContact CH2-CE2 3.58Å; W63-F212 AromaticContact CH2-CG 3.65Å; W63-F212 HydrophobicContact CH2-CG 3.65Å; W63-F212 HydrophobicContact CH2-CZ 4.3Å; W63-F212 HydrophobicContact CZ2-CD2 4.41Å; W63-F212 HydrophobicContact CZ2-CE2 4.46Å; W63-F212 HydrophobicContact CZ3-CB 4.35Å; W63-F212 AromaticContact CZ3-CD2 2.91Å; W63-F212 HydrophobicContact CZ3-CD2 2.91Å; W63-F212 AromaticContact CZ3-CE2 2.96Å; W63-F212 HydrophobicContact CZ3-CE2 2.96Å; W63-F212 AromaticContact CZ3-CG 3.8Å; W63-F212 HydrophobicContact CZ3-CG 3.8Å; W63-F212 AromaticContact CZ3-CZ 3.97Å; W63-F212 HydrophobicContact CZ3-CZ 3.97Å; I64-F212 HydrophobicContact CB-CE2 4.25Å; I64-F212 HydrophobicContact CB-CZ 3.8Å; I64-F212 HydrophobicContact CD1-CE2 4.17Å; I64-F212 HydrophobicContact CD1-CZ 4.39Å; I64-F212 HydrophobicContact CG1-CD2 4.49Å; I64-F212 HydrophobicContact CG1-CE1 4.45Å; I64-F212 HydrophobicContact CG1-CE2 3.21Å; I64-F212 HydrophobicContact CG1-CZ 3.21Å; I64-F212 HydrophobicContact CG2-CZ 3.95Å; L67-F212 HydrophobicContact CD2-CD1 3.58Å; L67-F212 HydrophobicContact CD2-CE1 3.32Å; L67-F212 HydrophobicContact CD2-CE2 4.4Å; L67-F212 HydrophobicContact CD2-CG 4.2Å; L67-F212 HydrophobicContact CD2-CZ 3.69Å; L67-F212 HydrophobicContact CG-CE1 4.19Å; T68-F212 HydrophobicContact CG2-CE1 4.45Å; F212-A215 HydrophobicContact CD1-CB 4.03Å; F212-A215 HydrophobicContact CE1-CB 3.55Å; F212-A215 HydrophobicContact CZ-CB 4.17Å
213	V	31.3	Very low	32	Very low	66 Å²	66	70.8 Å²	70.8	40%	0.4	35%	0.353	S	S	.	.	S	Bend	trans	-136.3	-14.2	158.6	170	0	0	0	0	114.3	F181 A215	F181-V213 HydrophobicContact CD1-CG2 3.86Å; F181-V213 HydrophobicContact CD2-CG2 3.75Å; F181-V213 HydrophobicContact CE1-CB 4.13Å; F181-V213 HydrophobicContact CE1-CG2 3.47Å; F181-V213 VanDerWaalsContact CE1-CG2 3.47Å; F181-V213 HydrophobicContact CE2-CG2 3.35Å; F181-V213 HydrophobicContact CG-CG2 4Å; F181-V213 HydrophobicContact CZ-CB 4.16Å; F181-V213 HydrophobicContact CZ-CG2 3.21Å; V213-A215 PolarHBondContact O-N 2.96Å
214	Q	37.2	Very low	32.2	Very low	40 Å²	40	69.2 Å²	69.2	19%	0.187	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-25	179.5	-145.5	97.7	16.6	0	0	113.6	A102 F216 L217	A102-Q214 HydrophobicContact CB-CG 4.22Å; A102-Q214 VanDerWaalsContact O-CB 3.23Å; A102-Q214 WeakPolarHBondContact O-CB 3.32Å; A102-Q214 WeakPolarHBondContact O-CG 3.16Å; Q214-F216 PolarHBondContact O-N 3.4Å; Q214-F216 VanDerWaalsContact O-N 3.11Å; Q214-L217 PolarHBondContact O-N 3.17Å
215	A	32.5	Very low	32.4	Very low	13 Å²	13	67.1 Å²	67.1	11%	0.107	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-11.6	177.8	0	0	0	0	0	114.5	T68 I101 F212 V213	T68-A215 HydrophobicContact CG2-CB 4.5Å; I101-A215 HydrophobicContact CD1-CB 4.46Å; I101-A215 HydrophobicContact CG2-CB 3.83Å; F212-A215 HydrophobicContact CD1-CB 4.03Å; F212-A215 HydrophobicContact CE1-CB 3.55Å; F212-A215 HydrophobicContact CZ-CB 4.17Å; V213-A215 PolarHBondContact O-N 2.96Å
216	F	32.2	Very low	32.5	Very low	81 Å²	81	69.7 Å²	69.7	36%	0.355	31%	0.313	S	S	.	.	H	α-helix	trans	-80.3	-19.9	-178.3	-129.1	-110.2	0	0	0	113.9	F192 M208 Q214	F192-F216 HydrophobicContact CD1-CZ 4.11Å; F192-F216 HydrophobicContact CD2-CE1 4.3Å; F192-F216 HydrophobicContact CD2-CZ 4.02Å; F192-F216 AromaticContact CE1-CE1 3.96Å; F192-F216 HydrophobicContact CE1-CE1 3.96Å; F192-F216 HydrophobicContact CE1-CE2 4.09Å; F192-F216 AromaticContact CE1-CZ 3.33Å; F192-F216 HydrophobicContact CE1-CZ 3.33Å; F192-F216 AromaticContact CE2-CE1 3.25Å; F192-F216 HydrophobicContact CE2-CE1 3.25Å; F192-F216 AromaticContact CE2-CZ 3.29Å; F192-F216 HydrophobicContact CE2-CZ 3.29Å; F192-F216 HydrophobicContact CG-CZ 4.43Å; F192-F216 HydrophobicContact CZ-CD1 4.24Å; F192-F216 AromaticContact CZ-CE1 3.06Å; F192-F216 HydrophobicContact CZ-CE1 3.06Å; F192-F216 HydrophobicContact CZ-CE2 4.01Å; F192-F216 AromaticContact CZ-CZ 2.92Å; F192-F216 HydrophobicContact CZ-CZ 2.92Å; M208-F216 HydrophobicContact CE-CD2 4.39Å; M208-F216 HydrophobicContact CE-CE2 3.58Å; M208-F216 HydrophobicContact CE-CZ 4.13Å; M208-F216 HydrophobicContact SD-CD2 4.38Å; M208-F216 HydrophobicContact SD-CE2 4.14Å; Q214-F216 PolarHBondContact O-N 3.4Å; Q214-F216 VanDerWaalsContact O-N 3.11Å
217	L	32.7	Very low	32.5	Very low	69 Å²	69	70.9 Å²	70.9	36%	0.361	32%	0.32	S	S	.	.	H	α-helix	trans	-84.1	-24.2	-176.9	-68.9	173.4	0	0	0	113.3	I121 Q214 R220	I121-L217 HydrophobicContact CD1-CD1 3.97Å; I121-L217 HydrophobicContact CG1-CD1 4.14Å; I121-L217 HydrophobicContact CG2-CD1 4.3Å; I121-L217 HydrophobicContact CG2-CD2 3.9Å; Q214-L217 PolarHBondContact O-N 3.17Å; L217-R220 VanDerWaalsContact O-CB 3.29Å; L217-R220 WeakPolarHBondContact O-CB 3.37Å; L217-R220 PolarHBondContact O-N 3.24Å
218	L	31	Very low	32.5	Very low	17 Å²	17	71.7 Å²	71.7	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-82.7	-13.4	178.2	-79.2	140.5	0	0	0	114.1	V100 A102 I151 R220 Q221 Y222	V100-L218 WeakPolarHBondContact O-CB 3.44Å; V100-L218 WeakPolarHBondContact O-CD1 3.46Å; V100-L218 WeakPolarHBondContact O-CD2 3.43Å; V100-L218 VanDerWaalsContact O-CG 3.22Å; V100-L218 WeakPolarHBondContact O-CG 3.47Å; A102-L218 HydrophobicContact CB-CD1 3.99Å; I151-L218 HydrophobicContact CD1-CD2 4.05Å; L218-R220 PolarHBondContact O-N 3.3Å; L218-Q221 PolarHBondContact O-N 3.38Å; L218-Y222 PolarHBondContact O-N 3.24Å; L218-Y222 VanDerWaalsContact O-N 3.11Å
219	F	30.2	Very low	32.2	Very low	64 Å²	64	75.7 Å²	75.7	28%	0.281	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-19.8	164.2	-138.8	-72.9	0	0	0	112.1	Y164 L223	Y164-F219 HydrophobicContact CE2-CB 4.33Å; Y164-F219 AromaticContact CE2-CD1 3.34Å; Y164-F219 HydrophobicContact CE2-CD1 3.34Å; Y164-F219 AromaticContact CE2-CE1 3.81Å; Y164-F219 HydrophobicContact CE2-CE1 3.81Å; Y164-F219 AromaticContact CE2-CG 3.97Å; Y164-F219 HydrophobicContact CE2-CG 3.97Å; Y164-F219 AromaticContact CZ-CD1 3.38Å; Y164-F219 AromaticContact CZ-CE1 3.5Å; Y164-F219 VanDerWaalsContact CZ-CE1 3.5Å; Y164-F219 AromaticContact CZ-CG 3.86Å; Y164-F219 WeakPolarHBondContact OH-CD1 3.49Å; Y164-F219 WeakPolarHBondContact OH-CD2 3.45Å; Y164-F219 WeakPolarHBondContact OH-CE1 3.4Å; Y164-F219 VanDerWaalsContact OH-CE2 3.23Å; Y164-F219 WeakPolarHBondContact OH-CE2 3.36Å; Y164-F219 WeakPolarHBondContact OH-CG 3.38Å; Y164-F219 WeakPolarHBondContact OH-CZ 3.45Å; F219-L223 HydrophobicContact CD1-CD1 3.81Å; F219-L223 HydrophobicContact CD1-CD2 4.34Å; F219-L223 HydrophobicContact CD1-CG 3.83Å; F219-L223 HydrophobicContact CE1-CD1 4.15Å; F219-L223 HydrophobicContact CE1-CD2 3.96Å; F219-L223 HydrophobicContact CE1-CG 3.96Å; F219-L223 WeakPolarHBondContact O-CD1 3.32Å; F219-L223 VanDerWaalsContact O-CG 3.27Å; F219-L223 WeakPolarHBondContact O-CG 3.41Å
220	R	34.4	Very low	32.4	Very low	96 Å²	96	78.9 Å²	78.9	36%	0.362	39%	0.391	S	S	.	.	H	α-helix	trans	-79.6	-26.4	178.6	-158.6	-176	-175.8	-179.8	6.9	113.5	C124 L217 L218 Y224	C124-R220 PolarHBondContact SG-NH2 3.15Å; L217-R220 VanDerWaalsContact O-CB 3.29Å; L217-R220 WeakPolarHBondContact O-CB 3.37Å; L217-R220 PolarHBondContact O-N 3.24Å; L218-R220 PolarHBondContact O-N 3.3Å; R220-Y224 WeakPolarHBondContact O-CD2 3.41Å
221	Q	34.2	Very low	32.2	Very low	37 Å²	37	81 Å²	81	17%	0.173	41%	0.406	C	S	.	.	H	α-helix	trans	-90.7	-30.1	173.9	-91.7	166	-30.2	0	0	112.3	I151 Y153 L218 L223 Y224	I151-Q221 HydrophobicContact CG2-CB 4.32Å; Y153-Q221 HydrophobicContact CD1-CB 4.18Å; Y153-Q221 HydrophobicContact CD1-CG 3.81Å; Y153-Q221 HydrophobicContact CE1-CB 3.78Å; Y153-Q221 HydrophobicContact CE1-CG 3.58Å; L218-Q221 PolarHBondContact O-N 3.38Å; Q221-L223 VanDerWaalsContact C-N 3.3Å; Q221-L223 PolarHBondContact O-N 3.14Å; Q221-Y224 PolarHBondContact O-N 2.8Å
222	Y	32.2	Very low	32	Very low	103 Å²	103	84.1 Å²	84.1	40%	0.404	43%	0.426	S	S	.	.	H	α-helix	trans	-68.6	-26.1	177.5	-161.5	-97	0	0	0	114.1	I151 L218 Y224 S225	I151-Y222 HydrophobicContact CD1-CD2 4.41Å; I151-Y222 HydrophobicContact CG1-CD2 4.09Å; I151-Y222 HydrophobicContact CG2-CD2 4.29Å; L218-Y222 PolarHBondContact O-N 3.24Å; L218-Y222 VanDerWaalsContact O-N 3.11Å; Y222-Y224 PolarHBondContact O-N 3.14Å; Y222-S225 PolarHBondContact O-N 3.18Å
223	L	30.2	Very low	31.7	Very low	72 Å²	72	93.2 Å²	93.2	38%	0.377	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	3.7	176.8	-76	172.5	0	0	0	114.8	P163 Y164 F219 Q221	P163-L223 HydrophobicContact CG-CD1 3.55Å; P163-L223 HydrophobicContact CG-CD2 3.63Å; P163-L223 HydrophobicContact CG-CG 4.25Å; Y164-L223 HydrophobicContact CD2-CD1 4.26Å; Y164-L223 HydrophobicContact CE2-CD1 3.88Å; F219-L223 HydrophobicContact CD1-CD1 3.81Å; F219-L223 HydrophobicContact CD1-CD2 4.34Å; F219-L223 HydrophobicContact CD1-CG 3.83Å; F219-L223 HydrophobicContact CE1-CD1 4.15Å; F219-L223 HydrophobicContact CE1-CD2 3.96Å; F219-L223 HydrophobicContact CE1-CG 3.96Å; F219-L223 WeakPolarHBondContact O-CD1 3.32Å; F219-L223 VanDerWaalsContact O-CG 3.27Å; F219-L223 WeakPolarHBondContact O-CG 3.41Å; Q221-L223 VanDerWaalsContact C-N 3.3Å; Q221-L223 PolarHBondContact O-N 3.14Å
224	Y	36.1	Very low	31.3	Very low	89 Å²	89	99.2 Å²	99.2	35%	0.349	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	13.5	178.2	-75.9	-78	0	0	0	114.3	V152 P154 L160 R220 Q221 Y222	V152-Y224 CarbonylContact O-C 3.51Å; P154-Y224 HydrophobicContact CB-CD1 3.84Å; P154-Y224 HydrophobicContact CB-CG 4.15Å; P154-Y224 HydrophobicContact CG-CD1 3.49Å; P154-Y224 VanDerWaalsContact CG-CD1 3.49Å; P154-Y224 HydrophobicContact CG-CD2 4.24Å; P154-Y224 HydrophobicContact CG-CE1 4.24Å; P154-Y224 HydrophobicContact CG-CG 3.47Å; P154-Y224 VanDerWaalsContact CG-CG 3.47Å; L160-Y224 HydrophobicContact CB-CE1 4.37Å; L160-Y224 HydrophobicContact CD1-CE1 4.34Å; R220-Y224 WeakPolarHBondContact O-CD2 3.41Å; Q221-Y224 PolarHBondContact O-N 2.8Å; Y222-Y224 PolarHBondContact O-N 3.14Å
225	S	36	Very low	30.7	Very low	27 Å²	27	105.8 Å²	105.8	19%	0.189	53%	0.525	C	S	.	.			trans	-82.5	120	173.7	167.5	0	0	0	0	111.2	V152 Y222 H227	V152-S225 WeakPolarHBondContact O-CA 3.39Å; Y222-S225 PolarHBondContact O-N 3.18Å; S225-H227 PolarHBondContact O-N 2.98Å; S225-H227 PolarHBondContact OG-N 2.98Å
226	E	36.2	Very low	30.5	Very low	181 Å²	181	114.8 Å²	114.8	85%	0.846	59%	0.585	S	S	*	*	S	Bend	trans	-68	25.9	172.5	-67.3	-150.7	154.9	0	0	114.1
227	H	37.3	Very low	30.4	Very low	150 Å²	150	116.5 Å²	116.5	69%	0.694	60%	0.596	S	S	*	*			trans	-114.4	26.6	-179.6	-73.6	14.2	0	0	0	113.5	S225 P229	S225-H227 PolarHBondContact O-N 2.98Å; S225-H227 PolarHBondContact OG-N 2.98Å; H227-P229 WeakPolarHBondContact O-CD 3.33Å
228	C	31.2	Very low	30.3	Very low	101 Å²	101	118.9 Å²	118.9	68%	0.682	61%	0.609	S	S	*	*			trans	-80.8	114.9	160.5	-154.3	0	0	0	0	108.9	V230	C228-V230 PolarHBondContact O-N 3.32Å
229	P	27	Very low	30.2	Very low	118 Å²	118	124.6 Å²	124.6	77%	0.766	64%	0.638	S	S	*	*			trans	-78.7	80.3	177	33.9	-30.7	0	0	0	107.9	H227	H227-P229 WeakPolarHBondContact O-CD 3.33Å
230	V	30	Very low	30.2	Very low	120 Å²	120	128.2 Å²	128.2	73%	0.727	66%	0.659	S	S	*	*			trans	-114.3	77.8	160.9	-166.4	0	0	0	0	106.5	C228 N232	C228-V230 PolarHBondContact O-N 3.32Å; V230-N232 PolarHBondContact O-N 3.12Å
231	Q	24.5	Very low	29.9	Very low	167 Å²	167	130.2 Å²	130.2	78%	0.78	68%	0.677	S	S	*	*			trans	-59	129.9	162	-75	178.2	-23.9	0	0	108.3
232	N	24.7	Very low	29.7	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	71%	0.711	S	S	*	*			trans	49.7	100.5	153.9	-59.5	-24.6	0	0	0	116.8	V230	V230-N232 PolarHBondContact O-N 3.12Å
233	F	25.1	Very low	29.5	Very low	207 Å²	207	138.8 Å²	138.8	91%	0.908	73%	0.733	S	S	*	*			trans	-138.8	123.6	136.1	-98.6	-81.1	0	0	0	110
234	E	22.4	Very low	29.4	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	76%	0.76	S	S	*	*			trans	-59.3	142.7	175.2	-71.9	173.9	138.9	0	0	110.9	C236	E234-C236 PolarHBondContact O-N 3.42Å
235	L	24.1	Very low	28.9	Very low	178 Å²	178	148.5 Å²	148.5	93%	0.932	79%	0.794	S	S	*	*			trans	-68.7	112.3	169.8	-73.7	159.5	0	0	0	109.4
236	C	28.1	Very low	28.2	Very low	202 Å²	202	159.5 Å²	159.5	100%	1.365	85%	0.849	S	S	*	*			trans	-110.3	0	140.4	-81.9	0	0	0	0	107.7	E234	E234-C236 PolarHBondContact O-N 3.42Å

Retrieved 236 of 236 residues in 106.9 ms (Link to these results)

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