A0A087XZ90_POEFO Loading...

Copine-8

Probable calcium-dependent phospholipid-binding protein that may play a role in calcium-mediated intracellular processes.

AlphaFold DB , UniProt , Accession A0A087XZ90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 565 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	33.4	Very low	26.6	Very low	249 Å²	249	140.1 Å²	140.1	100%	1.227	84%	0.838	S	S	*	*				0	131	0	-90.8	173.8	175.1	0	0	106.9
2	A	24.8	Very low	26.8	Very low	102 Å²	102	135.5 Å²	135.5	84%	0.843	83%	0.826	S	S	*	*			trans	-66.5	143	-153.8	0	0	0	0	0	115.2
3	C	23.5	Very low	27.6	Very low	128 Å²	128	127.5 Å²	127.5	87%	0.865	78%	0.782	S	S	*	*			trans	-62.7	133.1	165.5	-63.2	0	0	0	0	110.9
4	I	30.1	Very low	28.7	Very low	174 Å²	174	129.5 Å²	129.5	89%	0.892	78%	0.784	S	S	*	*			trans	-97.5	101.1	154.2	-58.8	169.5	0	0	0	102.1
5	G	25.4	Very low	30.1	Very low	59 Å²	59	123.7 Å²	123.7	61%	0.608	75%	0.75	S	S	*	*				99.8	90.4	65.5	0	0	0	0	0	106.1	A7	G5-A7 PolarHBondContact O-N 3.46Å
6	D	23.8	Very low	32.1	Very low	171 Å²	171	120.4 Å²	120.4	91%	0.914	74%	0.739	S	S	*	*			trans	-43.9	117.1	178.4	-68.6	-59	0	0	0	111.5	D8	D6-D8 PolarHBondContact O-N 3.13Å
7	A	25	Very low	34.7	Very low	95 Å²	95	114.5 Å²	114.5	79%	0.785	70%	0.703	S	S	*	*			trans	-75.6	119.2	165	0	0	0	0	0	108.3	G5	G5-A7 PolarHBondContact O-N 3.46Å
8	D	24.9	Very low	37.5	Very low	132 Å²	132	113.5 Å²	113.5	71%	0.706	69%	0.688	S	S	*	*			trans	-57.1	128.9	175.4	-149.9	-13.1	0	0	0	110.5	D6 F10	D6-D8 PolarHBondContact O-N 3.13Å; D8-F10 PolarHBondContact O-N 3.04Å
9	P	26.7	Very low	40.2	Very low	112 Å²	112	107.6 Å²	107.6	73%	0.727	65%	0.652	S	S	*	*	S	Bend	trans	-79.5	24.1	-174.2	28.8	-29.6	0	0	0	114.8
10	F	26.7	Very low	42.7	Very low	178 Å²	178	103.7 Å²	103.7	78%	0.781	63%	0.626	S	S	*	*			trans	-130	72.9	172	-68.6	-84.3	0	0	0	110	D8 A12	D8-F10 PolarHBondContact O-N 3.04Å; F10-A12 PolarHBondContact O-N 2.83Å
11	T	27.8	Very low	44.9	Very low	141 Å²	141	98.8 Å²	98.8	87%	0.865	60%	0.596	S	S	*	*			trans	-63.5	89.9	143.9	39.1	0	0	0	0	106.1	A13	T11-A13 PolarHBondContact O-N 3.13Å
12	A	29.5	Very low	47.6	Very low	85 Å²	85	88.8 Å²	88.8	70%	0.702	55%	0.549	S	S	*	.			trans	-50.8	112.7	168.2	0	0	0	0	0	106.4	F10 I14	F10-A12 PolarHBondContact O-N 2.83Å; A12-I14 PolarHBondContact O-N 2.99Å
13	A	37.4	Very low	50.7	Low	31 Å²	31	84 Å²	84	26%	0.256	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-51.1	130.5	172.1	0	0	0	0	0	107.3	T11 P15 F79	T11-A13 PolarHBondContact O-N 3.13Å; A13-P15 WeakPolarHBondContact O-CD 3.4Å; A13-P15 VanDerWaalsContact O-N 3.17Å; A13-F79 HydrophobicContact CB-CD1 4.45Å; A13-F79 HydrophobicContact CB-CE1 3.91Å; A13-F79 WeakPolarHBondContact O-CE1 3.39Å
14	I	42.5	Very low	53.8	Low	156 Å²	156	78.7 Å²	78.7	80%	0.8	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-64	120.2	175.9	-61.4	172	0	0	0	105.1	A12 A16	A12-I14 PolarHBondContact O-N 2.99Å; I14-A16 PolarHBondContact O-N 3.36Å
15	P	50	Low	56.8	Low	42 Å²	42	70.4 Å²	70.4	27%	0.273	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-58.4	137.9	-179.3	23.6	-32.7	0	0	0	110	A13 T17 D77 F79	A13-P15 WeakPolarHBondContact O-CD 3.4Å; A13-P15 VanDerWaalsContact O-N 3.17Å; P15-T17 PolarHBondContact O-N 3.02Å; P15-D77 HydrophobicContact CB-CB 3.91Å; P15-D77 HydrophobicContact CG-CB 4.38Å; P15-F79 HydrophobicContact CB-CE1 3.83Å; P15-F79 HydrophobicContact CB-CE2 4.19Å; P15-F79 HydrophobicContact CB-CZ 3.64Å; P15-F79 HydrophobicContact CG-CZ 4.47Å
16	A	61.8	Low	60	Low	71 Å²	71	70.8 Å²	70.8	59%	0.587	41%	0.414	S	S	*	.	S	Bend	trans	-54.6	-39.9	177	0	0	0	0	0	110	I14 Y78	I14-A16 PolarHBondContact O-N 3.36Å; A16-Y78 HydrophobicContact CB-CD1 4.34Å; A16-Y78 PolarHBondContact N-O 3.19Å; A16-Y78 VanDerWaalsContact N-O 3.14Å
17	T	75.6	Confident	63.1	Low	20 Å²	20	68.2 Å²	68.2	12%	0.123	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	178.1	170.8	-163.7	0	0	0	0	111.7	P15 V19 Y78 E147 L296	P15-T17 PolarHBondContact O-N 3.02Å; T17-V19 HydrophobicContact CG2-CG2 4.24Å; T17-Y78 HydrophobicContact CG2-CD1 3.9Å; T17-Y78 HydrophobicContact CG2-CG 4.39Å; T17-Y78 PolarHBondContact O-N 3.16Å; T17-E147 VanDerWaalsContact CB-OE1 3.25Å; T17-E147 WeakPolarHBondContact CB-OE1 3.36Å; T17-E147 HydrophobicContact CG2-CG 3.69Å; T17-E147 WeakPolarHBondContact CG2-OE1 2.65Å; T17-E147 WeakPolarHBondContact OG1-CG 3.07Å; T17-E147 PolarHBondContact OG1-OE1 2.89Å; T17-L296 HydrophobicContact CG2-CD1 3.71Å
18	K	85.3	Confident	66.2	Low	97 Å²	97	63.9 Å²	63.9	42%	0.422	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.1	167.2	-72	-178.8	-177.6	-68.8	0	109.3	I75 D77 L148	K18-I75 HydrophobicContact CB-CG2 4.32Å; K18-I75 HydrophobicContact CD-CG2 4.15Å; K18-D77 WeakPolarHBondContact CG-OD1 3.22Å; K18-D77 IonicContact NZ-OD1 3.5Å; K18-D77 PolarHBondContact NZ-OD1 3.16Å; K18-D77 IonicContact NZ-OD2 3.05Å; K18-L148 HydrophobicContact CB-CB 4.07Å; K18-L148 HydrophobicContact CB-CD1 4.25Å; K18-L148 PolarHBondContact O-N 3.37Å
19	V	88.6	Confident	69	Low	1 Å²	1	58.9 Å²	58.9	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132	177.2	177.1	0	0	0	0	109.5	T17 L21 I75 V76 Y78 L115 V119 A145 E146 L296	T17-V19 HydrophobicContact CG2-CG2 4.24Å; V19-L21 HydrophobicContact CG1-CD2 3.89Å; V19-I75 WeakPolarHBondContact O-CA 3.4Å; V19-V76 PolarHBondContact N-O 2.98Å; V19-V76 PolarHBondContact O-N 3.15Å; V19-Y78 HydrophobicContact CG2-CG 4.25Å; V19-L115 HydrophobicContact CG1-CD1 4.44Å; V19-V119 HydrophobicContact CG1-CG1 4.49Å; V19-V119 HydrophobicContact CG2-CG1 4.49Å; V19-A145 HydrophobicContact CG1-CB 3.5Å; V19-E146 CarbonylContact C-O 3.53Å; V19-E146 WeakPolarHBondContact CA-O 3.42Å; V19-L296 HydrophobicContact CG2-CD1 4.07Å
20	E	90.6	Very high	71.5	Confident	30 Å²	30	57 Å²	57	14%	0.14	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.9	171	-172.5	-177	79.9	0	0	109.7	K73 F74 A145 E146 L148	E20-K73 HydrophobicContact CG-CB 3.69Å; E20-K73 HydrophobicContact CG-CD 3.49Å; E20-K73 VanDerWaalsContact CG-CD 3.49Å; E20-K73 HydrophobicContact CG-CG 4.24Å; E20-K73 WeakPolarHBondContact OE1-CD 3.48Å; E20-K73 WeakPolarHBondContact OE1-CE 3.41Å; E20-K73 IonicContact OE1-NZ 2.77Å; E20-K73 PolarHBondContact OE1-NZ 3.22Å; E20-K73 WeakPolarHBondContact OE2-CD 3.48Å; E20-K73 IonicContact OE2-NZ 3.29Å; E20-K73 PolarHBondContact OE2-NZ 3.08Å; E20-F74 CarbonylContact C-O 3.59Å; E20-F74 WeakPolarHBondContact CA-O 3.46Å; E20-A145 CarbonylContact O-C 3.57Å; E20-A145 WeakPolarHBondContact O-CA 3.46Å; E20-E146 PolarHBondContact N-O 3.21Å; E20-E146 PolarHBondContact O-N 3.37Å; E20-L148 HydrophobicContact CB-CD1 3.97Å; E20-L148 HydrophobicContact CB-CD2 3.86Å; E20-L148 HydrophobicContact CB-CG 3.76Å
21	L	90.3	Very high	73.5	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.4	176.6	-56	178.7	0	0	0	109.9	V19 L43 K73 F74 V76 L86 F88 L115 I118 I143 R144 A145	V19-L21 HydrophobicContact CG1-CD2 3.89Å; L21-L43 HydrophobicContact CD1-CD2 4.39Å; L21-K73 WeakPolarHBondContact O-CA 3.49Å; L21-K73 WeakPolarHBondContact O-CB 3.49Å; L21-F74 HydrophobicContact CB-CB 4.22Å; L21-F74 PolarHBondContact N-O 2.89Å; L21-F74 PolarHBondContact O-N 3.35Å; L21-V76 HydrophobicContact CD1-CG2 3.89Å; L21-V76 HydrophobicContact CG-CG2 4.45Å; L21-L86 HydrophobicContact CD1-CD1 4Å; L21-F88 HydrophobicContact CD1-CZ 4.42Å; L21-L115 HydrophobicContact CD1-CD1 4.33Å; L21-L115 HydrophobicContact CD2-CD1 3.84Å; L21-I118 HydrophobicContact CD2-CD1 4.32Å; L21-I118 HydrophobicContact CD2-CG2 4.49Å; L21-I143 HydrophobicContact CD2-CG2 4.45Å; L21-R144 CarbonylContact C-O 3.59Å; L21-R144 WeakPolarHBondContact CA-O 3.36Å; L21-A145 HydrophobicContact CD2-CB 3.81Å
22	T	88.6	Confident	75.1	Confident	39 Å²	39	48.1 Å²	48.1	24%	0.239	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.1	169.1	-56.5	0	0	0	0	109	I143 R144	T22-I143 WeakPolarHBondContact O-CA 3.23Å; T22-R144 PolarHBondContact N-O 3.02Å; T22-R144 PolarHBondContact O-N 3.45Å
23	V	90.8	Very high	76.4	Confident	1 Å²	1	50 Å²	50	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.3	-177.9	-177.1	0	0	0	0	109.6	C41 F70 F74 F88 I141	V23-C41 HydrophobicContact CG1-CB 4.45Å; V23-F70 HydrophobicContact CB-CD2 4.19Å; V23-F70 HydrophobicContact CG1-CD2 4.11Å; V23-F70 HydrophobicContact CG1-CE2 4.39Å; V23-F70 WeakPolarHBondContact O-CD2 3.31Å; V23-F70 PolarHBondContact O-N 2.8Å; V23-F70 VanDerWaalsContact O-N 3.17Å; V23-F74 HydrophobicContact CG2-CD2 4.19Å; V23-F74 HydrophobicContact CG2-CE2 4.03Å; V23-F88 HydrophobicContact CG2-CD1 4.14Å; V23-F88 HydrophobicContact CG2-CE1 3.75Å; V23-I141 HydrophobicContact CG1-CD1 3.83Å; V23-I141 HydrophobicContact CG1-CG1 3.93Å
24	S	89	Confident	77.3	Confident	17 Å²	17	58.3 Å²	58.3	12%	0.119	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155	169.6	53	0	0	0	0	109.1	P68 D69 I142	S24-P68 CarbonylContact C-O 3.56Å; S24-P68 VanDerWaalsContact CA-O 3.28Å; S24-P68 WeakPolarHBondContact CA-O 3.47Å; S24-P68 WeakPolarHBondContact CB-O 3.13Å; S24-D69 WeakPolarHBondContact CB-OD1 3.43Å; S24-I142 PolarHBondContact N-O 2.93Å; S24-I142 PolarHBondContact O-N 3.36Å; S24-I142 WeakPolarHBondContact OG-CB 3.4Å; S24-I142 PolarHBondContact OG-O 3.28Å
25	C	91.4	Very high	78.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.1	175.3	-60.1	0	0	0	0	110.9	L28 N67 P68 T140	C25-L28 HydrophobicContact CB-CD1 3.93Å; C25-L28 HydrophobicContact CB-CD2 3.62Å; C25-L28 HydrophobicContact CB-CG 3.79Å; C25-N67 CarbonylContact O-C 3.54Å; C25-N67 WeakPolarHBondContact O-CA 3.48Å; C25-P68 HydrophobicContact CB-CG 3.77Å; C25-P68 PolarHBondContact N-O 3.46Å; C25-T140 CarbonylContact C-O 3.56Å; C25-T140 VanDerWaalsContact CA-O 3.22Å; C25-T140 WeakPolarHBondContact CA-O 3.33Å
26	R	93.1	Very high	79.6	Confident	67 Å²	67	56.7 Å²	56.7	25%	0.253	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.8	176.9	-61.7	-63.6	179	-95.1	2.4	110.7	L28 L66 N67 P68 D69 G139 T140 I142	R26-L28 VanDerWaalsContact C-N 3.28Å; R26-L28 PolarHBondContact O-N 2.97Å; R26-L66 CarbonylContact C-O 3.58Å; R26-N67 VanDerWaalsContact CA-OD1 3.26Å; R26-N67 WeakPolarHBondContact CA-OD1 3.38Å; R26-N67 WeakPolarHBondContact CD-OD1 3.37Å; R26-P68 PolarHBondContact NH1-O 2.88Å; R26-D69 IonicContact CZ-OD1 2.75Å; R26-D69 VanDerWaalsContact CZ-OD1 3.26Å; R26-D69 IonicContact CZ-OD2 3.32Å; R26-D69 IonicContact NH1-OD1 2.6Å; R26-D69 PolarHBondContact NH1-OD1 3.43Å; R26-D69 IonicContact NH1-OD2 3.75Å; R26-D69 IonicContact NH2-OD1 2.69Å; R26-D69 PolarHBondContact NH2-OD1 2.89Å; R26-D69 IonicContact NH2-OD2 3.26Å; R26-D69 PolarHBondContact NH2-OD2 3.2Å; R26-G139 WeakPolarHBondContact O-CA 3.46Å; R26-T140 PolarHBondContact N-O 3.19Å; R26-T140 PolarHBondContact O-N 2.93Å; R26-I142 HydrophobicContact CG-CD1 3.76Å
27	N	90.1	Very high	80.4	Confident	117 Å²	117	53.3 Å²	53.3	63%	0.626	27%	0.266	S	S	*	.	S	Bend	trans	51.8	44.3	176.8	-51.8	-52.6	0	0	0	113.1	L66 N67 G139	N27-L66 PolarHBondContact N-O 3.34Å; N27-N67 PolarHBondContact N-OD1 2.78Å; N27-G139 WeakPolarHBondContact O-CA 3.46Å; N27-G139 PolarHBondContact O-N 3.48Å
28	L	89.3	Confident	80.8	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	27%	0.268	C	S	.	.			trans	-55.3	152.6	174.7	-68.4	-178.7	0	0	0	111.1	C25 R26 D30 P39 L66 P68 L108 L130	C25-L28 HydrophobicContact CB-CD1 3.93Å; C25-L28 HydrophobicContact CB-CD2 3.62Å; C25-L28 HydrophobicContact CB-CG 3.79Å; R26-L28 VanDerWaalsContact C-N 3.28Å; R26-L28 PolarHBondContact O-N 2.97Å; L28-D30 PolarHBondContact O-N 2.76Å; L28-D30 VanDerWaalsContact O-N 3.17Å; L28-P39 HydrophobicContact CD1-CB 3.66Å; L28-P39 HydrophobicContact CD1-CG 4.06Å; L28-L66 HydrophobicContact CB-CB 4.38Å; L28-L66 HydrophobicContact CB-CD2 4.44Å; L28-L66 PolarHBondContact N-O 2.72Å; L28-P68 HydrophobicContact CD1-CG 3.72Å; L28-L108 HydrophobicContact CD1-CD1 4.22Å; L28-L130 HydrophobicContact CD2-CD1 3.34Å
29	L	84.1	Confident	81	Confident	26 Å²	26	49.2 Å²	49.2	14%	0.136	25%	0.247	C	C	.	.			trans	-61.6	117.7	176.4	177	66.9	0	0	0	109.6	R31 S37 L108 I133 K136	L29-R31 HydrophobicContact CD2-CG 4.07Å; L29-R31 HydrophobicContact CG-CG 4.18Å; L29-R31 PolarHBondContact O-N 2.53Å; L29-S37 PolarHBondContact O-OG 2.89Å; L29-L108 WeakPolarHBondContact O-CD2 3.38Å; L29-I133 HydrophobicContact CD2-CD1 3.72Å; L29-K136 HydrophobicContact CD1-CD 4.06Å; L29-K136 HydrophobicContact CD2-CD 3.77Å
30	D	78.6	Confident	81.1	Confident	73 Å²	73	49.8 Å²	49.8	39%	0.39	25%	0.25	S	S	.	.			trans	-74.1	111.9	171.3	-157.7	-7.8	0	0	0	109	L28 D32 L66	L28-D30 PolarHBondContact O-N 2.76Å; L28-D30 VanDerWaalsContact O-N 3.17Å; D30-D32 PolarHBondContact OD1-N 3.49Å; D30-L66 HydrophobicContact CB-CD1 3.95Å; D30-L66 HydrophobicContact CB-CD2 4.02Å
31	R	69.4	Low	81.3	Confident	94 Å²	94	48.3 Å²	48.3	36%	0.355	24%	0.244	S	C	.	.			trans	-97.1	-12.1	176.3	-79.1	-163.4	169.9	-142.2	14.2	113	L29 Q105 F107 L108	L29-R31 HydrophobicContact CD2-CG 4.07Å; L29-R31 HydrophobicContact CG-CG 4.18Å; L29-R31 PolarHBondContact O-N 2.53Å; R31-Q105 PolarHBondContact NH1-O 3.11Å; R31-F107 PolarHBondContact NE-O 2.91Å; R31-F107 VanDerWaalsContact NE-O 3.1Å; R31-F107 PolarHBondContact NH2-O 2.84Å; R31-L108 HydrophobicContact CG-CD2 4.15Å
32	D	61.4	Low	81.5	Confident	39 Å²	39	48.3 Å²	48.3	21%	0.209	24%	0.244	C	C	.	.			trans	-86	143.6	-174.5	-84.9	-21.4	0	0	0	112.7	D30 S35 K36	D30-D32 PolarHBondContact OD1-N 3.49Å; D32-S35 VanDerWaalsContact CB-C 3.48Å; D32-S35 WeakPolarHBondContact CB-O 3.39Å; D32-S35 WeakPolarHBondContact OD2-CB 3.11Å; D32-S35 PolarHBondContact OD2-OG 3.04Å; D32-K36 VanDerWaalsContact OD2-C 3.3Å
33	T	56.4	Low	81.9	Confident	124 Å²	124	46.5 Å²	46.5	76%	0.761	23%	0.232	S	C	*	.	S	Bend	trans	-90.2	-20.6	178.6	-34	0	0	0	0	111.9
34	F	55.5	Low	82.2	Confident	205 Å²	205	47.6 Å²	47.6	90%	0.899	24%	0.236	S	C	*	.	S	Bend	trans	-138.3	-3.7	-173.2	-61.2	-74	0	0	0	114.8
35	S	67.4	Low	82.5	Confident	58 Å²	58	48.6 Å²	48.6	41%	0.406	24%	0.242	S	C	.	.	S	Bend	trans	-138.5	-174.2	178	41.2	0	0	0	0	109.8	D32	D32-S35 VanDerWaalsContact CB-C 3.48Å; D32-S35 WeakPolarHBondContact CB-O 3.39Å; D32-S35 WeakPolarHBondContact OD2-CB 3.11Å; D32-S35 PolarHBondContact OD2-OG 3.04Å
36	K	73.7	Confident	82.5	Confident	107 Å²	107	50.8 Å²	50.8	47%	0.465	25%	0.252	S	S	.	.			trans	-109.1	154.1	166.9	-68.7	174.9	-178.4	173.5	0	107.5	D32 N64 L66	D32-K36 VanDerWaalsContact OD2-C 3.3Å; K36-N64 HydrophobicContact CB-CB 4.42Å; K36-N64 WeakPolarHBondContact CD-O 3.47Å; K36-N64 WeakPolarHBondContact O-CA 3.3Å; K36-N64 PolarHBondContact O-OD1 3.12Å; K36-L66 HydrophobicContact CB-CD2 4.47Å; K36-L66 HydrophobicContact CG-CG 4.5Å
37	S	79.1	Confident	81.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.			trans	-49.1	146.6	174.5	-61.3	0	0	0	0	114.6	L29 P39 N64 T65 D92	L29-S37 PolarHBondContact O-OG 2.89Å; S37-P39 WeakPolarHBondContact O-CD 3.37Å; S37-N64 CarbonylContact O-C 3.58Å; S37-N64 WeakPolarHBondContact O-CA 3.4Å; S37-N64 PolarHBondContact O-N 2.83Å; S37-T65 PolarHBondContact O-N 3.01Å; S37-D92 VanDerWaalsContact C-OD1 3.3Å; S37-D92 WeakPolarHBondContact CA-OD1 3.34Å; S37-D92 WeakPolarHBondContact CA-OD2 3.38Å; S37-D92 VanDerWaalsContact CB-CG 3.42Å; S37-D92 WeakPolarHBondContact CB-OD1 3.32Å; S37-D92 WeakPolarHBondContact CB-OD2 3.41Å; S37-D92 PolarHBondContact OG-OD2 2.78Å
38	D	83.8	Confident	81	Confident	30 Å²	30	46.8 Å²	46.8	16%	0.16	24%	0.241	C	C	.	.			trans	-103.3	73.9	171.5	-67.5	-18.3	0	0	0	109.8	V61 I62 D63 N64 D92 L93	D38-V61 HydrophobicContact CB-CG1 3.96Å; D38-V61 WeakPolarHBondContact O-CG1 3.36Å; D38-I62 WeakPolarHBondContact CA-O 3.44Å; D38-D63 VanDerWaalsContact OD1-CA 3.23Å; D38-D63 WeakPolarHBondContact OD1-CA 3.39Å; D38-N64 PolarHBondContact OD1-N 3.47Å; D38-D92 PolarHBondContact N-OD1 3.5Å; D38-L93 PolarHBondContact O-N 2.8Å; D38-L93 VanDerWaalsContact O-N 3.12Å
39	P	88.8	Confident	79.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	142.5	-170	26.4	-39.4	0	0	0	114.6	L28 S37 I62 T65 P68 F70 Y91 L108	L28-P39 HydrophobicContact CD1-CB 3.66Å; L28-P39 HydrophobicContact CD1-CG 4.06Å; S37-P39 WeakPolarHBondContact O-CD 3.37Å; P39-I62 WeakPolarHBondContact CD-O 3.43Å; P39-I62 PolarHBondContact O-N 3.45Å; P39-I62 VanDerWaalsContact O-N 3.16Å; P39-T65 VanDerWaalsContact CD-O 3.3Å; P39-T65 WeakPolarHBondContact CD-O 3.46Å; P39-T65 HydrophobicContact CG-CG2 3.9Å; P39-T65 WeakPolarHBondContact CG-O 3.25Å; P39-P68 HydrophobicContact CB-CB 4.45Å; P39-P68 HydrophobicContact CB-CG 4.02Å; P39-P68 HydrophobicContact CG-CB 3.69Å; P39-P68 HydrophobicContact CG-CG 3.6Å; P39-F70 HydrophobicContact CB-CZ 4.3Å; P39-F70 WeakPolarHBondContact O-CE1 3.36Å; P39-Y91 CarbonylContact C-O 3.59Å; P39-Y91 WeakPolarHBondContact CA-O 3.11Å; P39-L108 HydrophobicContact CB-CD1 4.18Å
40	I	91.9	Very high	79.2	Confident	13 Å²	13	51.3 Å²	51.3	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.5	163.3	-171.7	172	0	0	0	110.3	R58 V61 L90 Y91 L93	I40-R58 HydrophobicContact CD1-CB 4.03Å; I40-V61 HydrophobicContact CB-CG2 4.3Å; I40-V61 HydrophobicContact CD1-CG2 4.2Å; I40-L90 WeakPolarHBondContact O-CA 3.24Å; I40-L90 WeakPolarHBondContact O-CD1 3.14Å; I40-Y91 HydrophobicContact CG2-CD2 4.47Å; I40-Y91 PolarHBondContact N-O 3.13Å; I40-Y91 PolarHBondContact O-N 3.2Å; I40-Y91 VanDerWaalsContact O-N 3.11Å; I40-L93 HydrophobicContact CB-CD1 3.84Å; I40-L93 HydrophobicContact CD1-CD1 3.74Å; I40-L93 HydrophobicContact CG1-CD1 4.4Å; I40-L93 HydrophobicContact CG2-CD1 3.46Å; I40-L93 VanDerWaalsContact CG2-CD1 3.46Å; I40-L93 HydrophobicContact CG2-CG 3.84Å
41	C	93.9	Very high	79.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.9	171.9	-174.2	0	0	0	0	111.6	V23 R58 T59 F70 L90	V23-C41 HydrophobicContact CG1-CB 4.45Å; C41-R58 CarbonylContact O-C 3.58Å; C41-R58 WeakPolarHBondContact O-CA 3.18Å; C41-T59 HydrophobicContact CB-CG2 3.84Å; C41-T59 PolarHBondContact N-OG1 3.32Å; C41-T59 PolarHBondContact O-N 3.19Å; C41-T59 PolarHBondContact O-OG1 3.24Å; C41-F70 HydrophobicContact CB-CD2 4.31Å; C41-F70 HydrophobicContact CB-CE2 3.84Å; C41-F70 HydrophobicContact CB-CZ 4.07Å; C41-L90 HydrophobicContact CB-CD1 3.69Å
42	V	95.9	Very high	80.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.1	174.8	-173.5	0	0	0	0	109	Y44 E55 R58 F88 D89 Y91	V42-Y44 HydrophobicContact CB-CE2 3.87Å; V42-Y44 HydrophobicContact CG1-CD2 4.05Å; V42-Y44 HydrophobicContact CG1-CE1 4.46Å; V42-Y44 HydrophobicContact CG1-CE2 3.36Å; V42-E55 HydrophobicContact CG1-CG 3.72Å; V42-R58 HydrophobicContact CG1-CG 4.15Å; V42-R58 HydrophobicContact CG2-CB 4.49Å; V42-R58 HydrophobicContact CG2-CG 4Å; V42-F88 WeakPolarHBondContact O-CA 3.48Å; V42-D89 PolarHBondContact N-O 3.48Å; V42-D89 PolarHBondContact O-N 3.3Å; V42-Y91 HydrophobicContact CB-CE2 4.36Å; V42-Y91 HydrophobicContact CG2-CD2 3.99Å; V42-Y91 HydrophobicContact CG2-CE2 3.92Å
43	L	97.1	Very high	81.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.4	174.6	176.5	58.6	0	0	0	109.7	L21 F56 G57 F74 V76 L86 F88	L21-L43 HydrophobicContact CD1-CD2 4.39Å; L43-F56 HydrophobicContact CB-CB 4.37Å; L43-F56 HydrophobicContact CD2-CB 4.29Å; L43-F56 HydrophobicContact CD2-CD1 3.82Å; L43-F56 HydrophobicContact CD2-CG 4.22Å; L43-F56 HydrophobicContact CG-CB 4.01Å; L43-F56 HydrophobicContact CG-CD1 4.43Å; L43-F56 HydrophobicContact CG-CG 4.47Å; L43-F56 WeakPolarHBondContact O-CB 3.48Å; L43-F56 PolarHBondContact O-N 2.57Å; L43-G57 PolarHBondContact N-O 3.3Å; L43-G57 PolarHBondContact O-N 3.34Å; L43-F74 HydrophobicContact CB-CD1 4.14Å; L43-F74 HydrophobicContact CB-CD2 4.15Å; L43-F74 HydrophobicContact CB-CE1 3.95Å; L43-F74 HydrophobicContact CB-CE2 3.94Å; L43-F74 HydrophobicContact CB-CG 4.24Å; L43-F74 HydrophobicContact CB-CZ 3.83Å; L43-F74 HydrophobicContact CD2-CB 3.66Å; L43-F74 HydrophobicContact CD2-CD1 4.02Å; L43-F74 HydrophobicContact CD2-CD2 3.84Å; L43-F74 HydrophobicContact CD2-CE2 4.48Å; L43-F74 HydrophobicContact CD2-CG 3.56Å; L43-V76 HydrophobicContact CD2-CG2 4.35Å; L43-L86 HydrophobicContact CD1-CB 4.15Å; L43-L86 HydrophobicContact CD1-CD2 4.27Å; L43-F88 HydrophobicContact CD1-CD1 3.99Å; L43-F88 HydrophobicContact CD1-CD2 4.28Å; L43-F88 HydrophobicContact CD1-CE1 3.64Å; L43-F88 HydrophobicContact CD1-CE2 3.93Å; L43-F88 HydrophobicContact CD1-CG 4.3Å; L43-F88 HydrophobicContact CD1-CZ 3.6Å; L43-F88 HydrophobicContact CG-CE1 4.47Å
44	Y	96.6	Very high	83.3	Confident	24 Å²	24	58.3 Å²	58.3	9%	0.094	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.4	168.9	-60.7	-99.4	0	0	0	110.4	V42 R54 E55 R87 D89	V42-Y44 HydrophobicContact CB-CE2 3.87Å; V42-Y44 HydrophobicContact CG1-CD2 4.05Å; V42-Y44 HydrophobicContact CG1-CE1 4.46Å; V42-Y44 HydrophobicContact CG1-CE2 3.36Å; Y44-R54 CarbonylContact C-O 3.52Å; Y44-R54 VanDerWaalsContact CA-O 3.23Å; Y44-R54 WeakPolarHBondContact CA-O 3.5Å; Y44-E55 HydrophobicContact CD1-CB 4.06Å; Y44-E55 HydrophobicContact CE1-CB 3.84Å; Y44-E55 HydrophobicContact CE1-CG 4.33Å; Y44-R87 PolarHBondContact N-O 3.18Å; Y44-R87 PolarHBondContact O-N 2.69Å; Y44-D89 HydrophobicContact CE2-CB 4.01Å; Y44-D89 WeakPolarHBondContact CE2-OD2 3.27Å
45	T	94.6	Very high	85.2	Confident	39 Å²	39	52.5 Å²	52.5	24%	0.239	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.2	171.3	53.5	0	0	0	0	109.2	W53 R54 F56 L86	T45-W53 WeakPolarHBondContact O-CA 3.29Å; T45-R54 PolarHBondContact N-O 3.35Å; T45-R54 PolarHBondContact O-N 3.37Å; T45-F56 HydrophobicContact CG2-CB 3.97Å; T45-F56 HydrophobicContact CG2-CD2 3.69Å; T45-F56 HydrophobicContact CG2-CG 4.03Å; T45-L86 HydrophobicContact CG2-CD2 3.89Å
46	Q	91.3	Very high	86.4	Confident	46 Å²	46	54 Å²	54	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.3	179.3	-161.6	176	36.6	0	0	111.3	R51 E52 W53 N85	Q46-R51 HydrophobicContact CG-CB 4.49Å; Q46-R51 WeakPolarHBondContact CG-O 3.33Å; Q46-R51 PolarHBondContact NE2-O 3.2Å; Q46-E52 WeakPolarHBondContact CA-O 3.49Å; Q46-W53 HydrophobicContact CB-CD2 4.18Å; Q46-W53 HydrophobicContact CB-CE3 3.87Å; Q46-W53 HydrophobicContact CB-CH2 4.06Å; Q46-W53 HydrophobicContact CB-CZ2 4.34Å; Q46-W53 HydrophobicContact CB-CZ3 3.8Å; Q46-W53 HydrophobicContact CG-CD2 4.29Å; Q46-W53 HydrophobicContact CG-CE3 4.47Å; Q46-W53 HydrophobicContact CG-CZ2 4.47Å; Q46-N85 HydrophobicContact CB-CB 3.98Å; Q46-N85 PolarHBondContact N-O 3.23Å; Q46-N85 PolarHBondContact OE1-ND2 2.8Å
47	G	80.1	Confident	87.4	Confident	25 Å²	25	49.6 Å²	49.6	26%	0.258	24%	0.242	S	C	.	.			trans	-69	135	174	0	0	0	0	0	112.5	A49 R51 E52	G47-A49 VanDerWaalsContact C-N 3.34Å; G47-A49 PolarHBondContact O-N 2.81Å; G47-R51 WeakPolarHBondContact O-CA 3.1Å; G47-R51 PolarHBondContact O-N 3.19Å; G47-E52 PolarHBondContact N-O 2.97Å
48	I	71.6	Confident	88.1	Confident	75 Å²	75	53.3 Å²	53.3	39%	0.385	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-41.9	-177.3	-60.2	170.4	0	0	0	111.9	E82 L519 A522	I48-E82 WeakPolarHBondContact CD1-OE2 3.3Å; I48-L519 HydrophobicContact CG2-CD1 4.5Å; I48-A522 HydrophobicContact CG2-CB 3.55Å
49	A	65.5	Low	88.5	Confident	58 Å²	58	52.1 Å²	52.1	48%	0.479	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-35.7	-171.2	0	0	0	0	0	114.6	G47 L519	G47-A49 VanDerWaalsContact C-N 3.34Å; G47-A49 PolarHBondContact O-N 2.81Å; A49-L519 HydrophobicContact CB-CD1 4.43Å
50	N	70.8	Confident	88.5	Confident	67 Å²	67	55 Å²	55	36%	0.358	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-6.2	-171.2	62.4	-3.8	0	0	0	113.5	E52 R54	N50-E52 HydrophobicContact CB-CG 4.04Å; N50-E52 PolarHBondContact ND2-OE2 3.17Å; N50-E52 PolarHBondContact O-N 2.83Å; N50-E52 PolarHBondContact OD1-N 2.65Å; N50-R54 PolarHBondContact ND2-NH2 2.69Å
51	R	79.2	Confident	88.3	Confident	145 Å²	145	57 Å²	57	55%	0.547	28%	0.276	S	S	.	.			trans	53.5	19	-174.4	-67.7	-173.1	171.1	-173.8	-0.6	113.8	Q46 G47	Q46-R51 HydrophobicContact CG-CB 4.49Å; Q46-R51 WeakPolarHBondContact CG-O 3.33Å; Q46-R51 PolarHBondContact NE2-O 3.2Å; G47-R51 WeakPolarHBondContact O-CA 3.1Å; G47-R51 PolarHBondContact O-N 3.19Å
52	E	87.8	Confident	87.7	Confident	106 Å²	106	59 Å²	59	50%	0.495	29%	0.286	S	S	.	.			trans	-79	132.5	178.6	-69.8	179.6	169.7	0	0	109.5	Q46 G47 N50 R54	Q46-E52 WeakPolarHBondContact CA-O 3.49Å; G47-E52 PolarHBondContact N-O 2.97Å; N50-E52 HydrophobicContact CB-CG 4.04Å; N50-E52 PolarHBondContact ND2-OE2 3.17Å; N50-E52 PolarHBondContact O-N 2.83Å; N50-E52 PolarHBondContact OD1-N 2.65Å; E52-R54 IonicContact OE2-NH2 3.33Å
53	W	92.6	Very high	87	Confident	78 Å²	78	64.6 Å²	64.6	30%	0.295	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.8	170.7	-68.4	101.2	0	0	0	109.5	T45 Q46 N85 R87 F112	T45-W53 WeakPolarHBondContact O-CA 3.29Å; Q46-W53 HydrophobicContact CB-CD2 4.18Å; Q46-W53 HydrophobicContact CB-CE3 3.87Å; Q46-W53 HydrophobicContact CB-CH2 4.06Å; Q46-W53 HydrophobicContact CB-CZ2 4.34Å; Q46-W53 HydrophobicContact CB-CZ3 3.8Å; Q46-W53 HydrophobicContact CG-CD2 4.29Å; Q46-W53 HydrophobicContact CG-CE3 4.47Å; Q46-W53 HydrophobicContact CG-CZ2 4.47Å; W53-N85 HydrophobicContact CH2-CB 3.96Å; W53-R87 HydrophobicContact CD2-CB 4.35Å; W53-R87 HydrophobicContact CE3-CB 3.82Å; W53-R87 HydrophobicContact CH2-CB 3.7Å; W53-R87 HydrophobicContact CZ2-CB 4.25Å; W53-R87 HydrophobicContact CZ3-CB 3.47Å; W53-R87 VanDerWaalsContact CZ3-CB 3.47Å; W53-F112 HydrophobicContact CH2-CD1 4.13Å; W53-F112 HydrophobicContact CH2-CE1 4.42Å; W53-F112 AromaticContact CZ2-CD1 3.92Å; W53-F112 HydrophobicContact CZ2-CD1 3.92Å; W53-F112 AromaticContact CZ2-CE1 3.87Å; W53-F112 HydrophobicContact CZ2-CE1 3.87Å
54	R	92.9	Very high	86.2	Confident	149 Å²	149	68.6 Å²	68.6	56%	0.562	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.1	175.3	-65.4	-176.5	-179.1	176.7	0.9	109.1	Y44 T45 N50 E52 F56	Y44-R54 CarbonylContact C-O 3.52Å; Y44-R54 VanDerWaalsContact CA-O 3.23Å; Y44-R54 WeakPolarHBondContact CA-O 3.5Å; T45-R54 PolarHBondContact N-O 3.35Å; T45-R54 PolarHBondContact O-N 3.37Å; N50-R54 PolarHBondContact ND2-NH2 2.69Å; E52-R54 IonicContact OE2-NH2 3.33Å; R54-F56 PolarHBondContact O-N 3.05Å
55	E	94.4	Very high	85.5	Confident	83 Å²	83	68.8 Å²	68.8	39%	0.388	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	122.7	173.9	-170.7	-175.4	138.4	0	0	108.6	V42 Y44 R58	V42-E55 HydrophobicContact CG1-CG 3.72Å; Y44-E55 HydrophobicContact CD1-CB 4.06Å; Y44-E55 HydrophobicContact CE1-CB 3.84Å; Y44-E55 HydrophobicContact CE1-CG 4.33Å; E55-R58 VanDerWaalsContact CD-NE 3.33Å; E55-R58 VanDerWaalsContact OE1-CG 3.26Å; E55-R58 WeakPolarHBondContact OE1-CG 3.48Å; E55-R58 IonicContact OE1-CZ 2.87Å; E55-R58 IonicContact OE1-NE 3.89Å; E55-R58 PolarHBondContact OE1-NE 3.39Å; E55-R58 IonicContact OE1-NH2 2.56Å; E55-R58 PolarHBondContact OE1-NH2 2.83Å; E55-R58 IonicContact OE2-CZ 3.04Å; E55-R58 IonicContact OE2-NE 2.97Å; E55-R58 PolarHBondContact OE2-NE 3Å; E55-R58 IonicContact OE2-NH2 3.94Å; E55-R58 PolarHBondContact OE2-NH2 3.01Å
56	F	94	Very high	85.1	Confident	90 Å²	90	68.5 Å²	68.5	40%	0.395	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-41.9	176.3	-173.5	-91.4	0	0	0	110.7	L43 T45 R54 F74 I75 V76	L43-F56 HydrophobicContact CB-CB 4.37Å; L43-F56 HydrophobicContact CD2-CB 4.29Å; L43-F56 HydrophobicContact CD2-CD1 3.82Å; L43-F56 HydrophobicContact CD2-CG 4.22Å; L43-F56 HydrophobicContact CG-CB 4.01Å; L43-F56 HydrophobicContact CG-CD1 4.43Å; L43-F56 HydrophobicContact CG-CG 4.47Å; L43-F56 WeakPolarHBondContact O-CB 3.48Å; L43-F56 PolarHBondContact O-N 2.57Å; T45-F56 HydrophobicContact CG2-CB 3.97Å; T45-F56 HydrophobicContact CG2-CD2 3.69Å; T45-F56 HydrophobicContact CG2-CG 4.03Å; R54-F56 PolarHBondContact O-N 3.05Å; F56-F74 HydrophobicContact CD1-CB 4.43Å; F56-F74 HydrophobicContact CD1-CD1 4.15Å; F56-F74 HydrophobicContact CE1-CB 4.26Å; F56-I75 WeakPolarHBondContact CZ-O 3.32Å; F56-V76 HydrophobicContact CE1-CG2 4.08Å; F56-V76 HydrophobicContact CZ-CG2 4.06Å
57	G	93.4	Very high	84.9	Confident	13 Å²	13	69.6 Å²	69.6	13%	0.134	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	179.3	175.8	0	0	0	0	0	112.7	L43	L43-G57 PolarHBondContact N-O 3.3Å; L43-G57 PolarHBondContact O-N 3.34Å
58	R	94.4	Very high	85.2	Confident	78 Å²	78	68.4 Å²	68.4	29%	0.294	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.3	179.9	-46	-174	-175.5	167.1	2.3	111	I40 C41 V42 E55 R72	I40-R58 HydrophobicContact CD1-CB 4.03Å; C41-R58 CarbonylContact O-C 3.58Å; C41-R58 WeakPolarHBondContact O-CA 3.18Å; V42-R58 HydrophobicContact CG1-CG 4.15Å; V42-R58 HydrophobicContact CG2-CB 4.49Å; V42-R58 HydrophobicContact CG2-CG 4Å; E55-R58 VanDerWaalsContact CD-NE 3.33Å; E55-R58 VanDerWaalsContact OE1-CG 3.26Å; E55-R58 WeakPolarHBondContact OE1-CG 3.48Å; E55-R58 IonicContact OE1-CZ 2.87Å; E55-R58 IonicContact OE1-NE 3.89Å; E55-R58 PolarHBondContact OE1-NE 3.39Å; E55-R58 IonicContact OE1-NH2 2.56Å; E55-R58 PolarHBondContact OE1-NH2 2.83Å; E55-R58 IonicContact OE2-CZ 3.04Å; E55-R58 IonicContact OE2-NE 2.97Å; E55-R58 PolarHBondContact OE2-NE 3Å; E55-R58 IonicContact OE2-NH2 3.94Å; E55-R58 PolarHBondContact OE2-NH2 3.01Å; R58-R72 WeakPolarHBondContact O-CD 3.35Å; R58-R72 VanDerWaalsContact O-CZ 3.23Å; R58-R72 PolarHBondContact O-NE 3.15Å; R58-R72 PolarHBondContact O-NH1 3.11Å; R58-R72 VanDerWaalsContact O-NH1 3.08Å
59	T	91.6	Very high	85.7	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.037	34%	0.338	C	S	.	.			trans	-74.1	176.1	167.5	63.1	0	0	0	0	111.1	C41 F70 F74	C41-T59 HydrophobicContact CB-CG2 3.84Å; C41-T59 PolarHBondContact N-OG1 3.32Å; C41-T59 PolarHBondContact O-N 3.19Å; C41-T59 PolarHBondContact O-OG1 3.24Å; T59-F70 HydrophobicContact CG2-CB 3.87Å; T59-F70 HydrophobicContact CG2-CD1 4.09Å; T59-F70 HydrophobicContact CG2-CD2 4.26Å; T59-F70 HydrophobicContact CG2-CG 3.82Å; T59-F70 VanDerWaalsContact OG1-CD1 3.3Å; T59-F70 WeakPolarHBondContact OG1-CD1 3.37Å; T59-F70 WeakPolarHBondContact OG1-CE1 3.43Å; T59-F74 HydrophobicContact CG2-CE2 3.89Å; T59-F74 HydrophobicContact CG2-CZ 3.68Å
60	E	88.5	Confident	86.5	Confident	59 Å²	59	66.9 Å²	66.9	28%	0.276	32%	0.317	S	S	.	.			trans	-67.1	163.9	157.8	75.3	-73.1	179.4	0	0	111.8	I62 F70 V71 R72	E60-I62 HydrophobicContact CG-CG1 4.45Å; E60-F70 WeakPolarHBondContact O-CD1 3.49Å; E60-F70 WeakPolarHBondContact O-CE1 3.11Å; E60-F70 WeakPolarHBondContact OE1-CA 3.18Å; E60-V71 PolarHBondContact OE1-N 3.38Å; E60-R72 WeakPolarHBondContact OE2-CB 3.33Å; E60-R72 PolarHBondContact OE2-N 3.09Å
61	V	88.4	Confident	86.9	Confident	56 Å²	56	69.3 Å²	69.3	34%	0.339	33%	0.334	S	S	.	.			trans	-87	139.1	170.4	-170.2	0	0	0	0	108.3	D38 I40 L93	D38-V61 HydrophobicContact CB-CG1 3.96Å; D38-V61 WeakPolarHBondContact O-CG1 3.36Å; I40-V61 HydrophobicContact CB-CG2 4.3Å; I40-V61 HydrophobicContact CD1-CG2 4.2Å; V61-L93 HydrophobicContact CG1-CB 4.24Å; V61-L93 HydrophobicContact CG2-CB 4.48Å; V61-L93 HydrophobicContact CG2-CD1 3.49Å; V61-L93 VanDerWaalsContact CG2-CD1 3.49Å
62	I	80.3	Confident	87	Confident	43 Å²	43	69.2 Å²	69.2	22%	0.221	33%	0.334	C	S	.	.			trans	-116.6	117.2	174.6	-54.1	-175.2	0	0	0	109.2	D38 P39 E60 T65 P68 D69 F70	D38-I62 WeakPolarHBondContact CA-O 3.44Å; P39-I62 WeakPolarHBondContact CD-O 3.43Å; P39-I62 PolarHBondContact O-N 3.45Å; P39-I62 VanDerWaalsContact O-N 3.16Å; E60-I62 HydrophobicContact CG-CG1 4.45Å; I62-T65 HydrophobicContact CB-CG2 3.93Å; I62-T65 HydrophobicContact CG2-CG2 3.5Å; I62-P68 HydrophobicContact CB-CB 4.41Å; I62-P68 HydrophobicContact CD1-CB 3.78Å; I62-P68 HydrophobicContact CG1-CB 4.45Å; I62-D69 VanDerWaalsContact CD1-O 3.29Å; I62-D69 WeakPolarHBondContact CD1-O 3.32Å; I62-F70 HydrophobicContact CD1-CD1 3.74Å; I62-F70 HydrophobicContact CD1-CE1 4.07Å; I62-F70 HydrophobicContact CD1-CG 4.36Å; I62-F70 HydrophobicContact CG1-CD1 3.97Å; I62-F70 HydrophobicContact CG1-CE1 4.05Å
63	D	81.8	Confident	87	Confident	116 Å²	116	68.5 Å²	68.5	62%	0.62	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	137.6	-174	-53.9	-9.8	0	0	0	112.5	D38 T65	D38-D63 VanDerWaalsContact OD1-CA 3.23Å; D38-D63 WeakPolarHBondContact OD1-CA 3.39Å; D63-T65 PolarHBondContact O-N 2.87Å
64	N	80.9	Confident	86.9	Confident	84 Å²	84	65 Å²	65	45%	0.449	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	50.4	165.8	-72.2	-93	0	0	0	114.9	K36 S37 D38	K36-N64 HydrophobicContact CB-CB 4.42Å; K36-N64 WeakPolarHBondContact CD-O 3.47Å; K36-N64 WeakPolarHBondContact O-CA 3.3Å; K36-N64 PolarHBondContact O-OD1 3.12Å; S37-N64 CarbonylContact O-C 3.58Å; S37-N64 WeakPolarHBondContact O-CA 3.4Å; S37-N64 PolarHBondContact O-N 2.83Å; D38-N64 PolarHBondContact OD1-N 3.47Å
65	T	82.7	Confident	86.8	Confident	29 Å²	29	62.1 Å²	62.1	18%	0.178	31%	0.311	C	S	.	.			trans	-141.7	137.4	179.6	-170.4	0	0	0	0	114.1	S37 P39 I62 D63 N67 P68	S37-T65 PolarHBondContact O-N 3.01Å; P39-T65 VanDerWaalsContact CD-O 3.3Å; P39-T65 WeakPolarHBondContact CD-O 3.46Å; P39-T65 HydrophobicContact CG-CG2 3.9Å; P39-T65 WeakPolarHBondContact CG-O 3.25Å; I62-T65 HydrophobicContact CB-CG2 3.93Å; I62-T65 HydrophobicContact CG2-CG2 3.5Å; D63-T65 PolarHBondContact O-N 2.87Å; T65-N67 PolarHBondContact OG1-N 3.06Å; T65-P68 HydrophobicContact CG2-CB 3.94Å
66	L	85.9	Confident	86.7	Confident	33 Å²	33	58.7 Å²	58.7	17%	0.173	30%	0.295	C	S	.	.	S	Bend	trans	-94	-0.5	168.5	-54.1	-179.9	0	0	0	112.3	R26 N27 L28 D30 K36 P68	R26-L66 CarbonylContact C-O 3.58Å; N27-L66 PolarHBondContact N-O 3.34Å; L28-L66 HydrophobicContact CB-CB 4.38Å; L28-L66 HydrophobicContact CB-CD2 4.44Å; L28-L66 PolarHBondContact N-O 2.72Å; D30-L66 HydrophobicContact CB-CD1 3.95Å; D30-L66 HydrophobicContact CB-CD2 4.02Å; K36-L66 HydrophobicContact CB-CD2 4.47Å; K36-L66 HydrophobicContact CG-CG 4.5Å; L66-P68 VanDerWaalsContact C-CD 3.47Å
67	N	86.3	Confident	86.4	Confident	68 Å²	68	57.3 Å²	57.3	36%	0.364	29%	0.292	S	S	.	.	S	Bend	trans	-132.5	59.1	-176.6	-59.3	-73.9	0	0	0	110.9	C25 R26 N27 T65	C25-N67 CarbonylContact O-C 3.54Å; C25-N67 WeakPolarHBondContact O-CA 3.48Å; R26-N67 VanDerWaalsContact CA-OD1 3.26Å; R26-N67 WeakPolarHBondContact CA-OD1 3.38Å; R26-N67 WeakPolarHBondContact CD-OD1 3.37Å; N27-N67 PolarHBondContact N-OD1 2.78Å; T65-N67 PolarHBondContact OG1-N 3.06Å
68	P	85.8	Confident	86.2	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	29%	0.286	C	S	.	.			trans	-67.5	139.9	-177.5	29.5	-36.5	0	0	0	111.7	S24 C25 R26 L28 P39 I62 T65 L66 F70	S24-P68 CarbonylContact C-O 3.56Å; S24-P68 VanDerWaalsContact CA-O 3.28Å; S24-P68 WeakPolarHBondContact CA-O 3.47Å; S24-P68 WeakPolarHBondContact CB-O 3.13Å; C25-P68 HydrophobicContact CB-CG 3.77Å; C25-P68 PolarHBondContact N-O 3.46Å; R26-P68 PolarHBondContact NH1-O 2.88Å; L28-P68 HydrophobicContact CD1-CG 3.72Å; P39-P68 HydrophobicContact CB-CB 4.45Å; P39-P68 HydrophobicContact CB-CG 4.02Å; P39-P68 HydrophobicContact CG-CB 3.69Å; P39-P68 HydrophobicContact CG-CG 3.6Å; I62-P68 HydrophobicContact CB-CB 4.41Å; I62-P68 HydrophobicContact CD1-CB 3.78Å; I62-P68 HydrophobicContact CG1-CB 4.45Å; T65-P68 HydrophobicContact CG2-CB 3.94Å; L66-P68 VanDerWaalsContact C-CD 3.47Å; P68-F70 HydrophobicContact CB-CE1 4.04Å; P68-F70 HydrophobicContact CB-CE2 3.95Å; P68-F70 HydrophobicContact CB-CZ 3.69Å; P68-F70 HydrophobicContact CG-CE2 3.87Å; P68-F70 HydrophobicContact CG-CZ 3.78Å
69	D	82.9	Confident	86	Confident	92 Å²	92	54.4 Å²	54.4	49%	0.492	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-117.3	103	165.6	-69.8	-49.6	0	0	0	107.2	S24 R26 I62	S24-D69 WeakPolarHBondContact CB-OD1 3.43Å; R26-D69 IonicContact CZ-OD1 2.75Å; R26-D69 VanDerWaalsContact CZ-OD1 3.26Å; R26-D69 IonicContact CZ-OD2 3.32Å; R26-D69 IonicContact NH1-OD1 2.6Å; R26-D69 PolarHBondContact NH1-OD1 3.43Å; R26-D69 IonicContact NH1-OD2 3.75Å; R26-D69 IonicContact NH2-OD1 2.69Å; R26-D69 PolarHBondContact NH2-OD1 2.89Å; R26-D69 IonicContact NH2-OD2 3.26Å; R26-D69 PolarHBondContact NH2-OD2 3.2Å; I62-D69 VanDerWaalsContact CD1-O 3.29Å; I62-D69 WeakPolarHBondContact CD1-O 3.32Å
70	F	82.6	Confident	85.8	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.035	28%	0.276	C	S	.	.			trans	-78.6	134.1	-174.1	-58.9	-76.2	0	0	0	111.3	V23 P39 C41 T59 E60 I62 P68 L90	V23-F70 HydrophobicContact CB-CD2 4.19Å; V23-F70 HydrophobicContact CG1-CD2 4.11Å; V23-F70 HydrophobicContact CG1-CE2 4.39Å; V23-F70 WeakPolarHBondContact O-CD2 3.31Å; V23-F70 PolarHBondContact O-N 2.8Å; V23-F70 VanDerWaalsContact O-N 3.17Å; P39-F70 HydrophobicContact CB-CZ 4.3Å; P39-F70 WeakPolarHBondContact O-CE1 3.36Å; C41-F70 HydrophobicContact CB-CD2 4.31Å; C41-F70 HydrophobicContact CB-CE2 3.84Å; C41-F70 HydrophobicContact CB-CZ 4.07Å; T59-F70 HydrophobicContact CG2-CB 3.87Å; T59-F70 HydrophobicContact CG2-CD1 4.09Å; T59-F70 HydrophobicContact CG2-CD2 4.26Å; T59-F70 HydrophobicContact CG2-CG 3.82Å; T59-F70 VanDerWaalsContact OG1-CD1 3.3Å; T59-F70 WeakPolarHBondContact OG1-CD1 3.37Å; T59-F70 WeakPolarHBondContact OG1-CE1 3.43Å; E60-F70 WeakPolarHBondContact O-CD1 3.49Å; E60-F70 WeakPolarHBondContact O-CE1 3.11Å; E60-F70 WeakPolarHBondContact OE1-CA 3.18Å; I62-F70 HydrophobicContact CD1-CD1 3.74Å; I62-F70 HydrophobicContact CD1-CE1 4.07Å; I62-F70 HydrophobicContact CD1-CG 4.36Å; I62-F70 HydrophobicContact CG1-CD1 3.97Å; I62-F70 HydrophobicContact CG1-CE1 4.05Å; P68-F70 HydrophobicContact CB-CE1 4.04Å; P68-F70 HydrophobicContact CB-CE2 3.95Å; P68-F70 HydrophobicContact CB-CZ 3.69Å; P68-F70 HydrophobicContact CG-CE2 3.87Å; P68-F70 HydrophobicContact CG-CZ 3.78Å; F70-L90 HydrophobicContact CE2-CD1 4.35Å; F70-L90 HydrophobicContact CZ-CD1 4.37Å
71	V	79.8	Confident	85.8	Confident	118 Å²	118	52.5 Å²	52.5	72%	0.715	27%	0.269	S	S	*	.			trans	-78.9	-40.4	175.5	-179.5	0	0	0	0	110.6	E60 K73	E60-V71 PolarHBondContact OE1-N 3.38Å; V71-K73 WeakPolarHBondContact O-CG 3.2Å; V71-K73 PolarHBondContact O-N 2.83Å
72	R	80.9	Confident	85.8	Confident	143 Å²	143	51.6 Å²	51.6	54%	0.54	26%	0.261	S	S	.	.			trans	-70.5	128.9	179.2	-175.8	165.3	-179.5	-178.1	6.1	110.5	R58 E60	R58-R72 WeakPolarHBondContact O-CD 3.35Å; R58-R72 VanDerWaalsContact O-CZ 3.23Å; R58-R72 PolarHBondContact O-NE 3.15Å; R58-R72 PolarHBondContact O-NH1 3.11Å; R58-R72 VanDerWaalsContact O-NH1 3.08Å; E60-R72 WeakPolarHBondContact OE2-CB 3.33Å; E60-R72 PolarHBondContact OE2-N 3.09Å
73	K	86.8	Confident	86.2	Confident	91 Å²	91	54 Å²	54	40%	0.396	27%	0.267	S	S	.	.			trans	-108.4	151.7	-177.7	-49.7	-178.4	-175	175.7	0	110.6	E20 L21 V71	E20-K73 HydrophobicContact CG-CB 3.69Å; E20-K73 HydrophobicContact CG-CD 3.49Å; E20-K73 VanDerWaalsContact CG-CD 3.49Å; E20-K73 HydrophobicContact CG-CG 4.24Å; E20-K73 WeakPolarHBondContact OE1-CD 3.48Å; E20-K73 WeakPolarHBondContact OE1-CE 3.41Å; E20-K73 IonicContact OE1-NZ 2.77Å; E20-K73 PolarHBondContact OE1-NZ 3.22Å; E20-K73 WeakPolarHBondContact OE2-CD 3.48Å; E20-K73 IonicContact OE2-NZ 3.29Å; E20-K73 PolarHBondContact OE2-NZ 3.08Å; L21-K73 WeakPolarHBondContact O-CA 3.49Å; L21-K73 WeakPolarHBondContact O-CB 3.49Å; V71-K73 WeakPolarHBondContact O-CG 3.2Å; V71-K73 PolarHBondContact O-N 2.83Å
74	F	91.4	Very high	86.7	Confident	6 Å²	6	50 Å²	50	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.8	174.7	-55.7	-71.8	0	0	0	109.8	E20 L21 V23 L43 F56 T59 V76	E20-F74 CarbonylContact C-O 3.59Å; E20-F74 WeakPolarHBondContact CA-O 3.46Å; L21-F74 HydrophobicContact CB-CB 4.22Å; L21-F74 PolarHBondContact N-O 2.89Å; L21-F74 PolarHBondContact O-N 3.35Å; V23-F74 HydrophobicContact CG2-CD2 4.19Å; V23-F74 HydrophobicContact CG2-CE2 4.03Å; L43-F74 HydrophobicContact CB-CD1 4.14Å; L43-F74 HydrophobicContact CB-CD2 4.15Å; L43-F74 HydrophobicContact CB-CE1 3.95Å; L43-F74 HydrophobicContact CB-CE2 3.94Å; L43-F74 HydrophobicContact CB-CG 4.24Å; L43-F74 HydrophobicContact CB-CZ 3.83Å; L43-F74 HydrophobicContact CD2-CB 3.66Å; L43-F74 HydrophobicContact CD2-CD1 4.02Å; L43-F74 HydrophobicContact CD2-CD2 3.84Å; L43-F74 HydrophobicContact CD2-CE2 4.48Å; L43-F74 HydrophobicContact CD2-CG 3.56Å; F56-F74 HydrophobicContact CD1-CB 4.43Å; F56-F74 HydrophobicContact CD1-CD1 4.15Å; F56-F74 HydrophobicContact CE1-CB 4.26Å; T59-F74 HydrophobicContact CG2-CE2 3.89Å; T59-F74 HydrophobicContact CG2-CZ 3.68Å; F74-V76 HydrophobicContact CB-CG2 4.4Å
75	I	90.9	Very high	87.3	Confident	88 Å²	88	47.9 Å²	47.9	45%	0.451	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	111	177.3	-60	178.8	0	0	0	108.3	K18 V19 F56 L148	K18-I75 HydrophobicContact CB-CG2 4.32Å; K18-I75 HydrophobicContact CD-CG2 4.15Å; V19-I75 WeakPolarHBondContact O-CA 3.4Å; F56-I75 WeakPolarHBondContact CZ-O 3.32Å; I75-L148 HydrophobicContact CB-CD1 4.26Å; I75-L148 HydrophobicContact CD1-CD1 3.92Å; I75-L148 HydrophobicContact CG1-CD1 3.86Å; I75-L148 HydrophobicContact CG2-CD1 3.56Å
76	V	91	Very high	88	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.1	-175	-168.9	0	0	0	0	109.4	V19 L21 L43 F56 F74 L115	V19-V76 PolarHBondContact N-O 2.98Å; V19-V76 PolarHBondContact O-N 3.15Å; L21-V76 HydrophobicContact CD1-CG2 3.89Å; L21-V76 HydrophobicContact CG-CG2 4.45Å; L43-V76 HydrophobicContact CD2-CG2 4.35Å; F56-V76 HydrophobicContact CE1-CG2 4.08Å; F56-V76 HydrophobicContact CZ-CG2 4.06Å; F74-V76 HydrophobicContact CB-CG2 4.4Å; V76-L115 HydrophobicContact CG1-CD2 4.21Å
77	D	88.8	Confident	88.5	Confident	61 Å²	61	47.1 Å²	47.1	33%	0.326	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.9	171.2	-68	-42.1	0	0	0	109.6	P15 K18 F79 Q84	P15-D77 HydrophobicContact CB-CB 3.91Å; P15-D77 HydrophobicContact CG-CB 4.38Å; K18-D77 WeakPolarHBondContact CG-OD1 3.22Å; K18-D77 IonicContact NZ-OD1 3.5Å; K18-D77 PolarHBondContact NZ-OD1 3.16Å; K18-D77 IonicContact NZ-OD2 3.05Å; D77-F79 HydrophobicContact CB-CE2 3.79Å; D77-F79 HydrophobicContact CB-CZ 4.36Å; D77-Q84 PolarHBondContact O-NE2 2.95Å
78	Y	89.1	Confident	89.1	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.2	179.2	170.9	-99.6	0	0	0	111.1	A16 T17 V19 F80 L115 V119 L296 Y351	A16-Y78 HydrophobicContact CB-CD1 4.34Å; A16-Y78 PolarHBondContact N-O 3.19Å; A16-Y78 VanDerWaalsContact N-O 3.14Å; T17-Y78 HydrophobicContact CG2-CD1 3.9Å; T17-Y78 HydrophobicContact CG2-CG 4.39Å; T17-Y78 PolarHBondContact O-N 3.16Å; V19-Y78 HydrophobicContact CG2-CG 4.25Å; Y78-F80 HydrophobicContact CE1-CB 4.23Å; Y78-L115 HydrophobicContact CD2-CD2 3.86Å; Y78-L115 HydrophobicContact CD2-CG 4.03Å; Y78-L115 HydrophobicContact CG-CD2 4.47Å; Y78-V119 HydrophobicContact CE2-CG2 3.77Å; Y78-L296 HydrophobicContact CD1-CD1 3.93Å; Y78-L296 HydrophobicContact CD1-CG 4.39Å; Y78-L296 HydrophobicContact CE1-CD1 3.96Å; Y78-L296 HydrophobicContact CE1-CD2 3.76Å; Y78-L296 HydrophobicContact CE1-CG 3.94Å; Y78-L296 HydrophobicContact CE2-CD2 4.45Å; Y78-L296 HydrophobicContact CG-CD1 4.38Å; Y78-Y351 WeakPolarHBondContact CE2-OH 3.14Å; Y78-Y351 WeakPolarHBondContact OH-CE1 3.42Å; Y78-Y351 PolarHBondContact OH-OH 3.14Å
79	F	89	Confident	89.5	Confident	26 Å²	26	44 Å²	44	11%	0.114	21%	0.208	C	C	.	.			trans	-127.3	118.5	175.8	-60.9	-86.4	0	0	0	107.4	A13 P15 D77 E81 E82 Q84	A13-F79 HydrophobicContact CB-CD1 4.45Å; A13-F79 HydrophobicContact CB-CE1 3.91Å; A13-F79 WeakPolarHBondContact O-CE1 3.39Å; P15-F79 HydrophobicContact CB-CE1 3.83Å; P15-F79 HydrophobicContact CB-CE2 4.19Å; P15-F79 HydrophobicContact CB-CZ 3.64Å; P15-F79 HydrophobicContact CG-CZ 4.47Å; D77-F79 HydrophobicContact CB-CE2 3.79Å; D77-F79 HydrophobicContact CB-CZ 4.36Å; F79-E81 PolarHBondContact O-N 3.02Å; F79-E82 HydrophobicContact CB-CB 3.89Å; F79-E82 HydrophobicContact CB-CG 3.78Å; F79-E82 HydrophobicContact CG-CG 4.37Å; F79-E82 PolarHBondContact O-N 2.97Å; F79-Q84 PolarHBondContact O-OE1 2.94Å
80	F	88.4	Confident	90	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-37.9	-179.9	167	-102.4	0	0	0	110.8	Y78 E82 F295 I347 Y351 L529 I532 P533	Y78-F80 HydrophobicContact CE1-CB 4.23Å; F80-E82 VanDerWaalsContact C-N 3.27Å; F80-E82 PolarHBondContact O-N 3.19Å; F80-F295 HydrophobicContact CD2-CD1 4.33Å; F80-F295 AromaticContact CD2-CE1 3.53Å; F80-F295 HydrophobicContact CD2-CE1 3.53Å; F80-F295 AromaticContact CD2-CZ 3.97Å; F80-F295 HydrophobicContact CD2-CZ 3.97Å; F80-F295 AromaticContact CE2-CE1 3.76Å; F80-F295 HydrophobicContact CE2-CE1 3.76Å; F80-F295 AromaticContact CE2-CZ 3.7Å; F80-F295 HydrophobicContact CE2-CZ 3.7Å; F80-F295 HydrophobicContact CG-CE1 4.41Å; F80-F295 HydrophobicContact CZ-CZ 4.43Å; F80-I347 WeakPolarHBondContact O-CG2 3.17Å; F80-Y351 HydrophobicContact CD2-CE1 4.26Å; F80-Y351 AromaticContact CD2-CE2 3.91Å; F80-Y351 HydrophobicContact CD2-CE2 3.91Å; F80-Y351 AromaticContact CD2-CZ 3.75Å; F80-Y351 AromaticContact CE2-CD2 3.93Å; F80-Y351 HydrophobicContact CE2-CD2 3.93Å; F80-Y351 HydrophobicContact CE2-CE1 4.38Å; F80-Y351 AromaticContact CE2-CE2 3.69Å; F80-Y351 HydrophobicContact CE2-CE2 3.69Å; F80-Y351 HydrophobicContact CE2-CG 4.39Å; F80-Y351 AromaticContact CE2-CZ 3.94Å; F80-L529 HydrophobicContact CD1-CB 4.09Å; F80-L529 WeakPolarHBondContact CD1-O 3.4Å; F80-L529 HydrophobicContact CE1-CB 3.84Å; F80-L529 HydrophobicContact CE1-CD2 4.23Å; F80-L529 HydrophobicContact CE1-CG 4.45Å; F80-I532 HydrophobicContact CE1-CB 3.78Å; F80-I532 HydrophobicContact CE1-CG1 4.46Å; F80-I532 HydrophobicContact CE1-CG2 3.86Å; F80-I532 HydrophobicContact CZ-CB 4.35Å; F80-I532 HydrophobicContact CZ-CG2 3.91Å; F80-P533 HydrophobicContact CB-CG 4.04Å; F80-P533 HydrophobicContact CD1-CG 3.65Å; F80-P533 HydrophobicContact CE1-CG 4.3Å; F80-P533 HydrophobicContact CG-CG 3.85Å
81	E	88.1	Confident	90.4	Very high	24 Å²	24	40.3 Å²	40.3	11%	0.112	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.7	-174	74.5	-76.7	-174.3	0	0	114.1	F79 I347 K526 L529	F79-E81 PolarHBondContact O-N 3.02Å; E81-I347 VanDerWaalsContact O-CD1 3.28Å; E81-I347 WeakPolarHBondContact O-CD1 3.41Å; E81-K526 HydrophobicContact CG-CB 4.17Å; E81-K526 HydrophobicContact CG-CG 3.73Å; E81-L529 HydrophobicContact CB-CB 3.65Å
82	E	88.4	Confident	90.7	Very high	37 Å²	37	34.7 Å²	34.7	17%	0.173	15%	0.154	C	C	.	.	S	Bend	trans	-122	139	-179.5	-58.8	-171.4	175.6	0	0	113.1	I48 F79 F80 Q84 K526	I48-E82 WeakPolarHBondContact CD1-OE2 3.3Å; F79-E82 HydrophobicContact CB-CB 3.89Å; F79-E82 HydrophobicContact CB-CG 3.78Å; F79-E82 HydrophobicContact CG-CG 4.37Å; F79-E82 PolarHBondContact O-N 2.97Å; F80-E82 VanDerWaalsContact C-N 3.27Å; F80-E82 PolarHBondContact O-N 3.19Å; E82-Q84 HydrophobicContact CB-CG 4.08Å; E82-Q84 PolarHBondContact O-N 2.69Å; E82-Q84 VanDerWaalsContact O-N 3.11Å; E82-K526 IonicContact OE1-NZ 4Å; E82-K526 PolarHBondContact OE1-NZ 2.94Å
83	R	88.6	Confident	90.5	Very high	93 Å²	93	29.8 Å²	29.8	35%	0.351	14%	0.138	S	C	.	.			trans	-79.6	92.3	168.1	-169.3	-177.7	174.2	130.3	17.5	110.8	N85 T114 E346 I347	R83-N85 PolarHBondContact NE-OD1 3.45Å; R83-N85 VanDerWaalsContact NE-OD1 3.16Å; R83-N85 PolarHBondContact O-N 2.88Å; R83-T114 HydrophobicContact CG-CG2 3.98Å; R83-E346 IonicContact CZ-OE2 3.56Å; R83-E346 IonicContact NE-OE2 2.76Å; R83-E346 IonicContact NH1-OE1 3.09Å; R83-E346 IonicContact NH1-OE2 3.05Å; R83-E346 PolarHBondContact NH1-OE2 3.44Å; R83-I347 HydrophobicContact CB-CG1 4.01Å
84	Q	92	Very high	89.5	Confident	31 Å²	31	28.6 Å²	28.6	15%	0.145	14%	0.136	C	C	.	.			trans	-89.8	93.9	-178	-58	178.4	-92.8	0	0	111.5	D77 F79 E82 T114 L115	D77-Q84 PolarHBondContact O-NE2 2.95Å; F79-Q84 PolarHBondContact O-OE1 2.94Å; E82-Q84 HydrophobicContact CB-CG 4.08Å; E82-Q84 PolarHBondContact O-N 2.69Å; E82-Q84 VanDerWaalsContact O-N 3.11Å; Q84-T114 CarbonylContact O-C 3.58Å; Q84-T114 VanDerWaalsContact O-CA 3.26Å; Q84-T114 WeakPolarHBondContact O-CA 3.33Å; Q84-L115 HydrophobicContact CB-CB 3.94Å; Q84-L115 PolarHBondContact O-N 2.92Å
85	N	94.5	Very high	87.7	Confident	40 Å²	40	32.1 Å²	32.1	21%	0.214	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.5	-178.5	-62.9	-39.3	0	0	0	112.3	Q46 W53 R83	Q46-N85 HydrophobicContact CB-CB 3.98Å; Q46-N85 PolarHBondContact N-O 3.23Å; Q46-N85 PolarHBondContact OE1-ND2 2.8Å; W53-N85 HydrophobicContact CH2-CB 3.96Å; R83-N85 PolarHBondContact NE-OD1 3.45Å; R83-N85 VanDerWaalsContact NE-OD1 3.16Å; R83-N85 PolarHBondContact O-N 2.88Å
86	L	96.8	Very high	85.8	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142.2	178.9	-55	179.5	0	0	0	110.3	L21 L43 T45 F88 C113 L115 I118	L21-L86 HydrophobicContact CD1-CD1 4Å; L43-L86 HydrophobicContact CD1-CB 4.15Å; L43-L86 HydrophobicContact CD1-CD2 4.27Å; T45-L86 HydrophobicContact CG2-CD2 3.89Å; L86-F88 HydrophobicContact CB-CD2 4.49Å; L86-F88 HydrophobicContact CB-CE2 3.77Å; L86-F88 HydrophobicContact CB-CZ 4.43Å; L86-F88 HydrophobicContact CD1-CE2 4.19Å; L86-F88 HydrophobicContact CD1-CZ 4.22Å; L86-C113 PolarHBondContact N-O 2.87Å; L86-C113 PolarHBondContact O-N 3.26Å; L86-C113 VanDerWaalsContact O-N 3.12Å; L86-C113 VanDerWaalsContact O-O 3.04Å; L86-L115 HydrophobicContact CD1-CB 4.15Å; L86-L115 HydrophobicContact CD1-CD1 4.27Å; L86-I118 HydrophobicContact CD1-CD1 3.71Å
87	R	97	Very high	83.9	Confident	43 Å²	43	40.3 Å²	40.3	16%	0.162	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.9	170.4	-175.5	-173.9	88	-154.3	4.5	109.3	Y44 W53 D89 A111 F112	Y44-R87 PolarHBondContact N-O 3.18Å; Y44-R87 PolarHBondContact O-N 2.69Å; W53-R87 HydrophobicContact CD2-CB 4.35Å; W53-R87 HydrophobicContact CE3-CB 3.82Å; W53-R87 HydrophobicContact CH2-CB 3.7Å; W53-R87 HydrophobicContact CZ2-CB 4.25Å; W53-R87 HydrophobicContact CZ3-CB 3.47Å; W53-R87 VanDerWaalsContact CZ3-CB 3.47Å; R87-D89 WeakPolarHBondContact CD-OD1 3.43Å; R87-D89 WeakPolarHBondContact CG-OD1 3.23Å; R87-D89 IonicContact CZ-OD1 2.68Å; R87-D89 IonicContact CZ-OD2 3.72Å; R87-D89 VanDerWaalsContact CZ-OD2 3.29Å; R87-D89 IonicContact NE-OD1 3.84Å; R87-D89 PolarHBondContact NE-OD1 2.62Å; R87-D89 IonicContact NE-OD2 3.97Å; R87-D89 PolarHBondContact NE-OD2 2.89Å; R87-D89 IonicContact NH2-OD2 2.77Å; R87-D89 PolarHBondContact NH2-OD2 2.96Å; R87-A111 WeakPolarHBondContact CA-O 3.01Å; R87-F112 HydrophobicContact CB-CD1 3.94Å; R87-F112 HydrophobicContact CB-CE1 3.96Å; R87-F112 VanDerWaalsContact CD-CZ 3.46Å; R87-F112 HydrophobicContact CG-CD1 3.79Å; R87-F112 HydrophobicContact CG-CE1 3.49Å; R87-F112 VanDerWaalsContact CG-CE1 3.49Å; R87-F112 HydrophobicContact CG-CE2 4.48Å; R87-F112 HydrophobicContact CG-CG 4.42Å; R87-F112 HydrophobicContact CG-CZ 3.87Å
88	F	97.4	Very high	82.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.9	177.8	-63	-99.5	0	0	0	108.1	L21 V23 V42 L43 L86 Q110 A111 I141 I143	L21-F88 HydrophobicContact CD1-CZ 4.42Å; V23-F88 HydrophobicContact CG2-CD1 4.14Å; V23-F88 HydrophobicContact CG2-CE1 3.75Å; V42-F88 WeakPolarHBondContact O-CA 3.48Å; L43-F88 HydrophobicContact CD1-CD1 3.99Å; L43-F88 HydrophobicContact CD1-CD2 4.28Å; L43-F88 HydrophobicContact CD1-CE1 3.64Å; L43-F88 HydrophobicContact CD1-CE2 3.93Å; L43-F88 HydrophobicContact CD1-CG 4.3Å; L43-F88 HydrophobicContact CD1-CZ 3.6Å; L43-F88 HydrophobicContact CG-CE1 4.47Å; L86-F88 HydrophobicContact CB-CD2 4.49Å; L86-F88 HydrophobicContact CB-CE2 3.77Å; L86-F88 HydrophobicContact CB-CZ 4.43Å; L86-F88 HydrophobicContact CD1-CE2 4.19Å; L86-F88 HydrophobicContact CD1-CZ 4.22Å; F88-Q110 CarbonylContact O-C 3.58Å; F88-Q110 WeakPolarHBondContact O-CA 3.46Å; F88-A111 PolarHBondContact N-O 2.95Å; F88-A111 PolarHBondContact O-N 2.83Å; F88-I141 HydrophobicContact CB-CD1 3.59Å; F88-I141 HydrophobicContact CD1-CD1 4Å; F88-I141 HydrophobicContact CD2-CD1 4.47Å; F88-I141 HydrophobicContact CG-CD1 3.78Å; F88-I143 HydrophobicContact CD2-CD1 3.78Å; F88-I143 HydrophobicContact CE1-CD1 4.21Å; F88-I143 HydrophobicContact CE1-CG1 4.45Å; F88-I143 HydrophobicContact CE2-CD1 3.45Å; F88-I143 VanDerWaalsContact CE2-CD1 3.45Å; F88-I143 HydrophobicContact CE2-CG1 4.48Å; F88-I143 HydrophobicContact CG-CD1 4.31Å; F88-I143 HydrophobicContact CZ-CD1 3.68Å; F88-I143 HydrophobicContact CZ-CG1 4.28Å; F88-I143 HydrophobicContact CZ-CG2 4.22Å
89	D	95.4	Very high	80.6	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.5	176.1	-61.1	-11.4	0	0	0	109.1	V42 Y44 R87 Y91 F107 Q110	V42-D89 PolarHBondContact N-O 3.48Å; V42-D89 PolarHBondContact O-N 3.3Å; Y44-D89 HydrophobicContact CE2-CB 4.01Å; Y44-D89 WeakPolarHBondContact CE2-OD2 3.27Å; R87-D89 WeakPolarHBondContact CD-OD1 3.43Å; R87-D89 WeakPolarHBondContact CG-OD1 3.23Å; R87-D89 IonicContact CZ-OD1 2.68Å; R87-D89 IonicContact CZ-OD2 3.72Å; R87-D89 VanDerWaalsContact CZ-OD2 3.29Å; R87-D89 IonicContact NE-OD1 3.84Å; R87-D89 PolarHBondContact NE-OD1 2.62Å; R87-D89 IonicContact NE-OD2 3.97Å; R87-D89 PolarHBondContact NE-OD2 2.89Å; R87-D89 IonicContact NH2-OD2 2.77Å; R87-D89 PolarHBondContact NH2-OD2 2.96Å; D89-Y91 HydrophobicContact CB-CD2 4.44Å; D89-Y91 HydrophobicContact CB-CE2 3.53Å; D89-F107 HydrophobicContact CB-CE2 4.38Å; D89-Q110 WeakPolarHBondContact OD1-CB 3.25Å
90	L	93.1	Very high	79	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.8	179	-74.6	-66.1	0	0	0	109.3	I40 C41 F70 L108 G109 L130 I141	I40-L90 WeakPolarHBondContact O-CA 3.24Å; I40-L90 WeakPolarHBondContact O-CD1 3.14Å; C41-L90 HydrophobicContact CB-CD1 3.69Å; F70-L90 HydrophobicContact CE2-CD1 4.35Å; F70-L90 HydrophobicContact CZ-CD1 4.37Å; L90-L108 HydrophobicContact CB-CB 3.98Å; L90-L108 PolarHBondContact O-N 3.44Å; L90-G109 PolarHBondContact N-O 3.23Å; L90-L130 HydrophobicContact CD2-CD1 4.48Å; L90-L130 HydrophobicContact CD2-CD2 3.79Å; L90-L130 HydrophobicContact CG-CD1 4.27Å; L90-L130 HydrophobicContact CG-CD2 4.42Å; L90-I141 HydrophobicContact CD2-CD1 4.26Å
91	Y	90.3	Very high	77.6	Confident	22 Å²	22	55.9 Å²	55.9	9%	0.086	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.6	178.7	-57.3	-88.7	0	0	0	110.5	P39 I40 V42 D89 D106 F107	P39-Y91 CarbonylContact C-O 3.59Å; P39-Y91 WeakPolarHBondContact CA-O 3.11Å; I40-Y91 HydrophobicContact CG2-CD2 4.47Å; I40-Y91 PolarHBondContact N-O 3.13Å; I40-Y91 PolarHBondContact O-N 3.2Å; I40-Y91 VanDerWaalsContact O-N 3.11Å; V42-Y91 HydrophobicContact CB-CE2 4.36Å; V42-Y91 HydrophobicContact CG2-CD2 3.99Å; V42-Y91 HydrophobicContact CG2-CE2 3.92Å; D89-Y91 HydrophobicContact CB-CD2 4.44Å; D89-Y91 HydrophobicContact CB-CE2 3.53Å; Y91-D106 CarbonylContact C-O 3.47Å; Y91-D106 WeakPolarHBondContact CA-O 3.26Å; Y91-F107 HydrophobicContact CD1-CB 4.33Å; Y91-F107 HydrophobicContact CD1-CD2 4.17Å; Y91-F107 HydrophobicContact CE1-CB 4.36Å; Y91-F107 AromaticContact CE1-CD2 3.77Å; Y91-F107 HydrophobicContact CE1-CD2 3.77Å
92	D	86.4	Confident	75.7	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.1	162.1	-132.6	-18.8	0	0	0	108.7	S37 D38 D106 L108	S37-D92 VanDerWaalsContact C-OD1 3.3Å; S37-D92 WeakPolarHBondContact CA-OD1 3.34Å; S37-D92 WeakPolarHBondContact CA-OD2 3.38Å; S37-D92 VanDerWaalsContact CB-CG 3.42Å; S37-D92 WeakPolarHBondContact CB-OD1 3.32Å; S37-D92 WeakPolarHBondContact CB-OD2 3.41Å; S37-D92 PolarHBondContact OG-OD2 2.78Å; D38-D92 PolarHBondContact N-OD1 3.5Å; D92-D106 HydrophobicContact CB-CB 3.77Å; D92-D106 PolarHBondContact N-O 2.77Å; D92-D106 WeakPolarHBondContact O-CB 3.48Å; D92-L108 HydrophobicContact CB-CD1 4.39Å; D92-L108 HydrophobicContact CB-CD2 4.14Å; D92-L108 HydrophobicContact CB-CG 4.3Å
93	L	78	Confident	74.1	Confident	40 Å²	40	60.3 Å²	60.3	21%	0.209	31%	0.308	C	S	.	.			trans	-118.6	65.7	179.9	-86.2	176	0	0	0	111.9	D38 I40 V61 C95 H103	D38-L93 PolarHBondContact O-N 2.8Å; D38-L93 VanDerWaalsContact O-N 3.12Å; I40-L93 HydrophobicContact CB-CD1 3.84Å; I40-L93 HydrophobicContact CD1-CD1 3.74Å; I40-L93 HydrophobicContact CG1-CD1 4.4Å; I40-L93 HydrophobicContact CG2-CD1 3.46Å; I40-L93 VanDerWaalsContact CG2-CD1 3.46Å; I40-L93 HydrophobicContact CG2-CG 3.84Å; V61-L93 HydrophobicContact CG1-CB 4.24Å; V61-L93 HydrophobicContact CG2-CB 4.48Å; V61-L93 HydrophobicContact CG2-CD1 3.49Å; V61-L93 VanDerWaalsContact CG2-CD1 3.49Å; L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 2.76Å; L93-H103 HydrophobicContact CD2-CB 4.45Å; L93-H103 VanDerWaalsContact CD2-CD2 3.44Å; L93-H103 WeakPolarHBondContact CD2-CD2 3.39Å; L93-H103 VanDerWaalsContact CD2-NE2 3.35Å; L93-H103 WeakPolarHBondContact CD2-NE2 3.41Å
94	D	65.6	Low	72.5	Confident	65 Å²	65	62.9 Å²	62.9	35%	0.348	33%	0.325	S	S	.	.			trans	-80.3	-10.4	-176.5	-53.4	-39	0	0	0	113.9
95	C	52.9	Low	70.8	Confident	81 Å²	81	68.8 Å²	68.8	55%	0.547	35%	0.353	S	S	.	.	S	Bend	trans	-115.8	128.6	-174.4	-86.2	0	0	0	0	113.4	L93 S97	L93-C95 VanDerWaalsContact C-N 3.32Å; L93-C95 PolarHBondContact O-N 2.76Å; C95-S97 PolarHBondContact O-N 3.1Å
96	K	50.9	Low	69.9	Low	227 Å²	227	68.4 Å²	68.4	99%	0.987	35%	0.351	S	S	*	.	S	Bend	trans	-65.1	48.8	174.6	-58.4	-177.9	-179.3	-179.3	0	114.1
97	S	51.4	Low	69.5	Low	43 Å²	43	69.9 Å²	69.9	30%	0.301	36%	0.357	S	S	.	.			trans	-132.9	133.2	176.7	96.8	0	0	0	0	111.3	C95 N99 H103	C95-S97 PolarHBondContact O-N 3.1Å; S97-N99 PolarHBondContact O-N 2.74Å; S97-H103 PolarHBondContact O-NE2 2.92Å
98	D	54.6	Low	69	Low	169 Å²	169	67.8 Å²	67.8	90%	0.904	35%	0.35	S	S	*	.			trans	-75.6	1.5	-175.2	-61.2	-40.3	0	0	0	114.6
99	N	53.9	Low	68.8	Low	109 Å²	109	67.8 Å²	67.8	58%	0.583	35%	0.35	S	S	*	.			trans	-98	109.5	-172.6	-92.2	-34	0	0	0	113.7	S97 S101 K102 H103	S97-N99 PolarHBondContact O-N 2.74Å; N99-S101 VanDerWaalsContact C-N 3.28Å; N99-S101 PolarHBondContact O-N 2.86Å; N99-K102 PolarHBondContact O-N 2.88Å; N99-H103 PolarHBondContact O-CD2 3.49Å
100	L	56.1	Low	68.8	Low	44 Å²	44	69.9 Å²	69.9	23%	0.23	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-59.7	-28.5	-177.8	-158.3	74.5	0	0	0	114.7	K102 H103	L100-K102 PolarHBondContact O-N 3.46Å; L100-H103 PolarHBondContact O-N 2.93Å; L100-H103 VanDerWaalsContact O-N 3.12Å
101	S	57.3	Low	69	Low	98 Å²	98	70.1 Å²	70.1	69%	0.685	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.7	-178.6	61.7	0	0	0	0	114.1	N99	N99-S101 VanDerWaalsContact C-N 3.28Å; N99-S101 PolarHBondContact O-N 2.86Å
102	K	49.5	Very low	69.3	Low	148 Å²	148	73 Å²	73	64%	0.643	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-89.8	-21.1	174.2	-71.7	-176.4	177.4	-178.8	0	112.9	N99 L100 M104	N99-K102 PolarHBondContact O-N 2.88Å; L100-K102 PolarHBondContact O-N 3.46Å; K102-M104 VanDerWaalsContact C-N 3.31Å; K102-M104 PolarHBondContact O-N 3.37Å
103	H	55.5	Low	69.7	Low	6 Å²	6	73.4 Å²	73.4	3%	0.028	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-83.4	1.1	179.9	-57.5	-50.4	0	0	0	113.7	L93 S97 N99 L100 Q105 D106	L93-H103 HydrophobicContact CD2-CB 4.45Å; L93-H103 VanDerWaalsContact CD2-CD2 3.44Å; L93-H103 WeakPolarHBondContact CD2-CD2 3.39Å; L93-H103 VanDerWaalsContact CD2-NE2 3.35Å; L93-H103 WeakPolarHBondContact CD2-NE2 3.41Å; S97-H103 PolarHBondContact O-NE2 2.92Å; N99-H103 PolarHBondContact O-CD2 3.49Å; L100-H103 PolarHBondContact O-N 2.93Å; L100-H103 VanDerWaalsContact O-N 3.12Å; H103-Q105 PolarHBondContact O-N 2.87Å; H103-D106 IonicContact ND1-OD2 3.74Å; H103-D106 PolarHBondContact O-N 2.84Å
104	M	53.6	Low	70.6	Confident	146 Å²	146	71.7 Å²	71.7	72%	0.719	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-60	-22.9	169.6	-83	-167.5	71.6	0	0	112.7	K102 D106	K102-M104 VanDerWaalsContact C-N 3.31Å; K102-M104 PolarHBondContact O-N 3.37Å; M104-D106 PolarHBondContact O-N 3.45Å
105	Q	56.8	Low	71.9	Confident	155 Å²	155	68.6 Å²	68.6	72%	0.724	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-72.7	-16.6	175.1	-67.2	-175.2	-0.9	0	0	112.3	R31 H103	R31-Q105 PolarHBondContact NH1-O 3.11Å; H103-Q105 PolarHBondContact O-N 2.87Å
106	D	75.4	Confident	73.8	Confident	33 Å²	33	65 Å²	65	18%	0.176	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-108.6	18.7	-171.5	-53.9	-33.4	0	0	0	112.1	Y91 D92 H103 M104 L108	Y91-D106 CarbonylContact C-O 3.47Å; Y91-D106 WeakPolarHBondContact CA-O 3.26Å; D92-D106 HydrophobicContact CB-CB 3.77Å; D92-D106 PolarHBondContact N-O 2.77Å; D92-D106 WeakPolarHBondContact O-CB 3.48Å; H103-D106 IonicContact ND1-OD2 3.74Å; H103-D106 PolarHBondContact O-N 2.84Å; M104-D106 PolarHBondContact O-N 3.45Å; D106-L108 PolarHBondContact O-N 2.88Å
107	F	87.8	Confident	75.9	Confident	33 Å²	33	56.3 Å²	56.3	15%	0.145	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125	179.9	-178.8	-111.5	0	0	0	112.3	R31 D89 Y91 G109 Q110 I133	R31-F107 PolarHBondContact NE-O 2.91Å; R31-F107 VanDerWaalsContact NE-O 3.1Å; R31-F107 PolarHBondContact NH2-O 2.84Å; D89-F107 HydrophobicContact CB-CE2 4.38Å; Y91-F107 HydrophobicContact CD1-CB 4.33Å; Y91-F107 HydrophobicContact CD1-CD2 4.17Å; Y91-F107 HydrophobicContact CE1-CB 4.36Å; Y91-F107 AromaticContact CE1-CD2 3.77Å; Y91-F107 HydrophobicContact CE1-CD2 3.77Å; F107-G109 VanDerWaalsContact CE2-C 3.46Å; F107-G109 VanDerWaalsContact CE2-O 3.27Å; F107-G109 WeakPolarHBondContact CE2-O 3.37Å; F107-G109 VanDerWaalsContact CZ-CA 3.5Å; F107-Q110 HydrophobicContact CE2-CB 4.07Å; F107-Q110 HydrophobicContact CZ-CB 3.69Å; F107-Q110 HydrophobicContact CZ-CG 3.84Å; F107-I133 HydrophobicContact CD1-CD1 4.19Å; F107-I133 HydrophobicContact CD1-CG1 3.87Å; F107-I133 HydrophobicContact CE1-CG1 4.08Å; F107-I133 VanDerWaalsContact O-CD1 3.32Å; F107-I133 WeakPolarHBondContact O-CD1 3.26Å
108	L	88	Confident	77.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-30.6	-179.7	-61.7	178.9	0	0	0	112.1	L28 L29 R31 P39 L90 D92 D106 C138	L28-L108 HydrophobicContact CD1-CD1 4.22Å; L29-L108 WeakPolarHBondContact O-CD2 3.38Å; R31-L108 HydrophobicContact CG-CD2 4.15Å; P39-L108 HydrophobicContact CB-CD1 4.18Å; L90-L108 HydrophobicContact CB-CB 3.98Å; L90-L108 PolarHBondContact O-N 3.44Å; D92-L108 HydrophobicContact CB-CD1 4.39Å; D92-L108 HydrophobicContact CB-CD2 4.14Å; D92-L108 HydrophobicContact CB-CG 4.3Å; D106-L108 PolarHBondContact O-N 2.88Å; L108-C138 WeakPolarHBondContact O-CB 3.32Å
109	G	92.8	Very high	79.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157	170.8	177.5	0	0	0	0	0	112.4	L90 F107 I131	L90-G109 PolarHBondContact N-O 3.23Å; F107-G109 VanDerWaalsContact CE2-C 3.46Å; F107-G109 VanDerWaalsContact CE2-O 3.27Å; F107-G109 WeakPolarHBondContact CE2-O 3.37Å; F107-G109 VanDerWaalsContact CZ-CA 3.5Å; G109-I131 CarbonylContact C-O 3.52Å; G109-I131 WeakPolarHBondContact CA-O 3.31Å
110	Q	95.6	Very high	81.3	Confident	48 Å²	48	42.2 Å²	42.2	22%	0.224	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.2	175.5	64.3	-172.3	-6.8	0	0	111.6	F88 D89 F107 F112 I131	F88-Q110 CarbonylContact O-C 3.58Å; F88-Q110 WeakPolarHBondContact O-CA 3.46Å; D89-Q110 WeakPolarHBondContact OD1-CB 3.25Å; F107-Q110 HydrophobicContact CE2-CB 4.07Å; F107-Q110 HydrophobicContact CZ-CB 3.69Å; F107-Q110 HydrophobicContact CZ-CG 3.84Å; Q110-F112 HydrophobicContact CG-CE2 3.92Å; Q110-I131 HydrophobicContact CG-CG1 4.22Å; Q110-I131 PolarHBondContact N-O 2.59Å; Q110-I131 VanDerWaalsContact O-CG1 3.28Å; Q110-I131 WeakPolarHBondContact O-CG1 3.4Å; Q110-I131 PolarHBondContact O-N 2.97Å
111	A	96.9	Very high	82.8	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.033	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.6	170.2	0	0	0	0	0	110.9	R87 F88 L130 I141	R87-A111 WeakPolarHBondContact CA-O 3.01Å; F88-A111 PolarHBondContact N-O 2.95Å; F88-A111 PolarHBondContact O-N 2.83Å; A111-L130 HydrophobicContact CB-CD2 4.12Å; A111-I141 HydrophobicContact CB-CG2 3.6Å
112	F	96.5	Very high	84.1	Confident	83 Å²	83	42.7 Å²	42.7	36%	0.364	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.2	174.3	-62.5	-94.2	0	0	0	109.4	W53 R87 Q110 K128 I131	W53-F112 HydrophobicContact CH2-CD1 4.13Å; W53-F112 HydrophobicContact CH2-CE1 4.42Å; W53-F112 AromaticContact CZ2-CD1 3.92Å; W53-F112 HydrophobicContact CZ2-CD1 3.92Å; W53-F112 AromaticContact CZ2-CE1 3.87Å; W53-F112 HydrophobicContact CZ2-CE1 3.87Å; R87-F112 HydrophobicContact CB-CD1 3.94Å; R87-F112 HydrophobicContact CB-CE1 3.96Å; R87-F112 VanDerWaalsContact CD-CZ 3.46Å; R87-F112 HydrophobicContact CG-CD1 3.79Å; R87-F112 HydrophobicContact CG-CE1 3.49Å; R87-F112 VanDerWaalsContact CG-CE1 3.49Å; R87-F112 HydrophobicContact CG-CE2 4.48Å; R87-F112 HydrophobicContact CG-CG 4.42Å; R87-F112 HydrophobicContact CG-CZ 3.87Å; Q110-F112 HydrophobicContact CG-CE2 3.92Å; F112-K128 PolarHBondContact O-NZ 3.14Å; F112-I131 HydrophobicContact CD2-CD1 4.41Å
113	C	95.8	Very high	85.5	Confident	9 Å²	9	36 Å²	36	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	173.1	172.3	55.9	0	0	0	0	110	L86 E117 L126 K128	L86-C113 PolarHBondContact N-O 2.87Å; L86-C113 PolarHBondContact O-N 3.26Å; L86-C113 VanDerWaalsContact O-N 3.12Å; L86-C113 VanDerWaalsContact O-O 3.04Å; C113-E117 VanDerWaalsContact CA-OE2 3.28Å; C113-E117 WeakPolarHBondContact CA-OE2 3.12Å; C113-E117 WeakPolarHBondContact CB-OE2 3.46Å; C113-L126 HydrophobicContact CB-CD2 3.66Å; C113-K128 HydrophobicContact CB-CD 4.43Å
114	T	95.1	Very high	87	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	158.3	165.5	61.8	0	0	0	0	109.5	R83 Q84 G116 E117 I118 D350	R83-T114 HydrophobicContact CG-CG2 3.98Å; Q84-T114 CarbonylContact O-C 3.58Å; Q84-T114 VanDerWaalsContact O-CA 3.26Å; Q84-T114 WeakPolarHBondContact O-CA 3.33Å; T114-G116 PolarHBondContact O-N 3.36Å; T114-E117 PolarHBondContact O-N 2.93Å; T114-E117 VanDerWaalsContact OG1-CB 3.23Å; T114-E117 WeakPolarHBondContact OG1-CB 3.38Å; T114-E117 PolarHBondContact OG1-N 3.48Å; T114-I118 PolarHBondContact O-N 2.78Å; T114-D350 PolarHBondContact OG1-OD2 3.4Å
115	L	94.5	Very high	88.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-38.1	169.4	-174.8	55.6	0	0	0	110.9	V19 L21 V76 Y78 Q84 L86 E117 I118 V119	V19-L115 HydrophobicContact CG1-CD1 4.44Å; L21-L115 HydrophobicContact CD1-CD1 4.33Å; L21-L115 HydrophobicContact CD2-CD1 3.84Å; V76-L115 HydrophobicContact CG1-CD2 4.21Å; Y78-L115 HydrophobicContact CD2-CD2 3.86Å; Y78-L115 HydrophobicContact CD2-CG 4.03Å; Y78-L115 HydrophobicContact CG-CD2 4.47Å; Q84-L115 HydrophobicContact CB-CB 3.94Å; Q84-L115 PolarHBondContact O-N 2.92Å; L86-L115 HydrophobicContact CD1-CB 4.15Å; L86-L115 HydrophobicContact CD1-CD1 4.27Å; L115-E117 PolarHBondContact O-N 2.79Å; L115-I118 HydrophobicContact CD1-CD1 4.49Å; L115-I118 PolarHBondContact O-N 3.05Å; L115-V119 HydrophobicContact CD1-CG1 4.4Å; L115-V119 WeakPolarHBondContact O-CG2 3.5Å; L115-V119 PolarHBondContact O-N 3.4Å
116	G	92.4	Very high	90.4	Very high	7 Å²	7	25.7 Å²	25.7	7%	0.072	14%	0.136	C	C	.	.	H	α-helix	trans	-52.3	-49.4	172.2	0	0	0	0	0	112.9	T114 I118 V119 G120	T114-G116 PolarHBondContact O-N 3.36Å; G116-I118 VanDerWaalsContact C-N 3.28Å; G116-I118 PolarHBondContact O-N 2.75Å; G116-V119 VanDerWaalsContact O-CG2 3.29Å; G116-V119 WeakPolarHBondContact O-CG2 3.48Å; G116-V119 PolarHBondContact O-N 3.07Å; G116-G120 PolarHBondContact O-N 2.94Å
117	E	94	Very high	91.3	Very high	44 Å²	44	28.8 Å²	28.8	21%	0.206	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-36.8	179	-173.9	-174.7	-177.1	0	0	111.9	C113 T114 L115 S121 L126 K128	C113-E117 VanDerWaalsContact CA-OE2 3.28Å; C113-E117 WeakPolarHBondContact CA-OE2 3.12Å; C113-E117 WeakPolarHBondContact CB-OE2 3.46Å; T114-E117 PolarHBondContact O-N 2.93Å; T114-E117 VanDerWaalsContact OG1-CB 3.23Å; T114-E117 WeakPolarHBondContact OG1-CB 3.38Å; T114-E117 PolarHBondContact OG1-N 3.48Å; L115-E117 PolarHBondContact O-N 2.79Å; E117-S121 WeakPolarHBondContact O-CB 3.29Å; E117-S121 PolarHBondContact O-N 2.93Å; E117-S121 VanDerWaalsContact O-N 3.15Å; E117-S121 PolarHBondContact O-OG 3.36Å; E117-L126 HydrophobicContact CG-CD1 4.11Å; E117-L126 HydrophobicContact CG-CD2 3.96Å; E117-K128 WeakPolarHBondContact OE1-CE 3.37Å; E117-K128 IonicContact OE1-NZ 3.93Å; E117-K128 PolarHBondContact OE1-NZ 3.37Å; E117-K128 IonicContact OE2-NZ 2.79Å; E117-K128 PolarHBondContact OE2-NZ 3.05Å
118	I	92.9	Very high	91.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-49.2	177.3	-56.7	164.2	0	0	0	110.7	L21 L86 T114 L115 G116 S121 S124 L126 I143 A145	L21-I118 HydrophobicContact CD2-CD1 4.32Å; L21-I118 HydrophobicContact CD2-CG2 4.49Å; L86-I118 HydrophobicContact CD1-CD1 3.71Å; T114-I118 PolarHBondContact O-N 2.78Å; L115-I118 HydrophobicContact CD1-CD1 4.49Å; L115-I118 PolarHBondContact O-N 3.05Å; G116-I118 VanDerWaalsContact C-N 3.28Å; G116-I118 PolarHBondContact O-N 2.75Å; I118-S121 PolarHBondContact O-N 3.01Å; I118-S124 CarbonylContact O-C 3.54Å; I118-S124 VanDerWaalsContact O-CA 3.31Å; I118-S124 WeakPolarHBondContact O-CA 3.1Å; I118-L126 HydrophobicContact CB-CB 4.46Å; I118-L126 HydrophobicContact CG1-CB 4.19Å; I118-L126 HydrophobicContact CG1-CD2 3.73Å; I118-L126 HydrophobicContact CG2-CB 4.41Å; I118-I143 HydrophobicContact CD1-CB 4.41Å; I118-I143 HydrophobicContact CD1-CD1 4.3Å; I118-I143 HydrophobicContact CD1-CG2 3.76Å; I118-I143 HydrophobicContact CG1-CG2 4.34Å; I118-I143 HydrophobicContact CG2-CB 4.46Å; I118-I143 HydrophobicContact CG2-CG2 4.06Å; I118-A145 HydrophobicContact CG2-CB 3.64Å
119	V	91.4	Very high	92	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-70.8	-35.2	-176.3	-61.2	0	0	0	0	112.4	V19 Y78 L115 G116 S124 A145 L296 Y351	V19-V119 HydrophobicContact CG1-CG1 4.49Å; V19-V119 HydrophobicContact CG2-CG1 4.49Å; Y78-V119 HydrophobicContact CE2-CG2 3.77Å; L115-V119 HydrophobicContact CD1-CG1 4.4Å; L115-V119 WeakPolarHBondContact O-CG2 3.5Å; L115-V119 PolarHBondContact O-N 3.4Å; G116-V119 VanDerWaalsContact O-CG2 3.29Å; G116-V119 WeakPolarHBondContact O-CG2 3.48Å; G116-V119 PolarHBondContact O-N 3.07Å; V119-S124 PolarHBondContact O-OG 3.38Å; V119-A145 HydrophobicContact CG1-CB 3.85Å; V119-L296 HydrophobicContact CB-CD2 4.06Å; V119-L296 HydrophobicContact CG2-CD2 4.03Å; V119-Y351 HydrophobicContact CG2-CE1 3.94Å
120	G	88.8	Confident	92.1	Very high	23 Å²	23	34.5 Å²	34.5	24%	0.237	18%	0.184	C	C	.	.	H	α-helix	trans	-76.5	-18.2	177.8	0	0	0	0	0	114.2	G116	G116-G120 PolarHBondContact O-N 2.94Å
121	S	88.5	Confident	91.9	Very high	27 Å²	27	36.5 Å²	36.5	19%	0.189	20%	0.195	C	C	.	.	S	Bend	trans	-64.5	147.8	171.4	-70	0	0	0	0	111.3	E117 I118 G123 S124 R125	E117-S121 WeakPolarHBondContact O-CB 3.29Å; E117-S121 PolarHBondContact O-N 2.93Å; E117-S121 VanDerWaalsContact O-N 3.15Å; E117-S121 PolarHBondContact O-OG 3.36Å; I118-S121 PolarHBondContact O-N 3.01Å; S121-G123 PolarHBondContact O-N 3.41Å; S121-S124 VanDerWaalsContact O-CA 3.27Å; S121-S124 WeakPolarHBondContact O-CA 3.44Å; S121-S124 PolarHBondContact O-N 3.47Å; S121-R125 WeakPolarHBondContact CB-O 3.21Å
122	L	83.6	Confident	91.4	Very high	125 Å²	125	38.4 Å²	38.4	65%	0.654	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-53.5	123.7	-179	-176.5	65.6	0	0	0	111.7	S124 R125 P551	L122-S124 PolarHBondContact O-N 3.18Å; L122-R125 PolarHBondContact O-N 3.2Å; L122-P551 HydrophobicContact CD1-CG 3.92Å; L122-P551 HydrophobicContact CG-CG 3.89Å
123	G	80.3	Confident	90.9	Very high	8 Å²	8	35.8 Å²	35.8	8%	0.082	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	67.8	17.4	-177.1	0	0	0	0	0	114.4	S121 R125	S121-G123 PolarHBondContact O-N 3.41Å; G123-R125 PolarHBondContact O-N 2.88Å
124	S	87.3	Confident	90.4	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.049	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	54.3	39.4	-174.9	-51.6	0	0	0	0	112.4	I118 V119 S121 L122 R144 A145	I118-S124 CarbonylContact O-C 3.54Å; I118-S124 VanDerWaalsContact O-CA 3.31Å; I118-S124 WeakPolarHBondContact O-CA 3.1Å; V119-S124 PolarHBondContact O-OG 3.38Å; S121-S124 VanDerWaalsContact O-CA 3.27Å; S121-S124 WeakPolarHBondContact O-CA 3.44Å; S121-S124 PolarHBondContact O-N 3.47Å; L122-S124 PolarHBondContact O-N 3.18Å; S124-R144 CarbonylContact O-C 3.57Å; S124-R144 WeakPolarHBondContact O-CA 3.26Å; S124-A145 VanDerWaalsContact CB-O 3.29Å; S124-A145 WeakPolarHBondContact CB-O 3.33Å; S124-A145 PolarHBondContact O-N 3.31Å
125	R	88.9	Confident	89.9	Confident	69 Å²	69	45.6 Å²	45.6	26%	0.26	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	110.7	-179.2	-178.8	-172.8	178	-79.4	1.7	109.8	S121 L122 G123 E127 I142 I143	S121-R125 WeakPolarHBondContact CB-O 3.21Å; L122-R125 PolarHBondContact O-N 3.2Å; G123-R125 PolarHBondContact O-N 2.88Å; R125-E127 IonicContact CZ-OE2 3.53Å; R125-E127 VanDerWaalsContact CZ-OE2 3.28Å; R125-E127 IonicContact NH1-OE2 3.54Å; R125-E127 PolarHBondContact NH1-OE2 2.96Å; R125-E127 IonicContact NH2-OE2 2.8Å; R125-E127 PolarHBondContact NH2-OE2 2.98Å; R125-I142 HydrophobicContact CG-CG2 4.09Å; R125-I143 CarbonylContact C-O 3.33Å; R125-I143 WeakPolarHBondContact CA-O 3.48Å
126	L	92.3	Very high	89.5	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.7	174.9	-178.6	62.9	0	0	0	110.3	C113 E117 I118 K128 I142 I143	C113-L126 HydrophobicContact CB-CD2 3.66Å; E117-L126 HydrophobicContact CG-CD1 4.11Å; E117-L126 HydrophobicContact CG-CD2 3.96Å; I118-L126 HydrophobicContact CB-CB 4.46Å; I118-L126 HydrophobicContact CG1-CB 4.19Å; I118-L126 HydrophobicContact CG1-CD2 3.73Å; I118-L126 HydrophobicContact CG2-CB 4.41Å; L126-K128 HydrophobicContact CD1-CG 4.29Å; L126-K128 HydrophobicContact CD2-CD 4.12Å; L126-K128 HydrophobicContact CG-CD 4.42Å; L126-K128 HydrophobicContact CG-CG 4.27Å; L126-I142 CarbonylContact O-C 3.58Å; L126-I142 WeakPolarHBondContact O-CA 3.3Å; L126-I143 PolarHBondContact N-O 3.42Å; L126-I143 PolarHBondContact O-N 3.4Å
127	E	93.8	Very high	89.3	Confident	98 Å²	98	60.2 Å²	60.2	46%	0.458	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.6	173.7	-174.7	167.8	161.3	0	0	109.1	R125 T140 I141 I142	R125-E127 IonicContact CZ-OE2 3.53Å; R125-E127 VanDerWaalsContact CZ-OE2 3.28Å; R125-E127 IonicContact NH1-OE2 3.54Å; R125-E127 PolarHBondContact NH1-OE2 2.96Å; R125-E127 IonicContact NH2-OE2 2.8Å; R125-E127 PolarHBondContact NH2-OE2 2.98Å; E127-T140 HydrophobicContact CG-CG2 3.34Å; E127-I141 WeakPolarHBondContact CA-O 3.4Å; E127-I142 HydrophobicContact CB-CG1 4.41Å; E127-I142 HydrophobicContact CG-CG1 3.9Å
128	K	94.7	Very high	89.1	Confident	55 Å²	55	58.2 Å²	58.2	24%	0.239	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.1	-175.9	-90.8	-174	149.8	165.9	0	112.1	F112 C113 E117 L126 T140 I141	F112-K128 PolarHBondContact O-NZ 3.14Å; C113-K128 HydrophobicContact CB-CD 4.43Å; E117-K128 WeakPolarHBondContact OE1-CE 3.37Å; E117-K128 IonicContact OE1-NZ 3.93Å; E117-K128 PolarHBondContact OE1-NZ 3.37Å; E117-K128 IonicContact OE2-NZ 2.79Å; E117-K128 PolarHBondContact OE2-NZ 3.05Å; L126-K128 HydrophobicContact CD1-CG 4.29Å; L126-K128 HydrophobicContact CD2-CD 4.12Å; L126-K128 HydrophobicContact CG-CD 4.42Å; L126-K128 HydrophobicContact CG-CG 4.27Å; K128-T140 CarbonylContact O-C 3.58Å; K128-T140 WeakPolarHBondContact O-CA 3.36Å; K128-T140 VanDerWaalsContact O-CG2 3.31Å; K128-T140 WeakPolarHBondContact O-CG2 3.36Å; K128-I141 HydrophobicContact CB-CG2 4.11Å; K128-I141 PolarHBondContact N-O 3.34Å; K128-I141 WeakPolarHBondContact O-CG2 3.36Å; K128-I141 PolarHBondContact O-N 2.77Å
129	P	95.5	Very high	89.1	Confident	90 Å²	90	58.8 Å²	58.8	58%	0.584	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.8	170.7	29.7	-33.8	0	0	0	110.1
130	L	94.3	Very high	89.3	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.042	35%	0.354	C	S	.	.			trans	-75.2	138.6	169.9	-70.9	167.1	0	0	0	109.6	L28 L90 A111 C138 G139 I141	L28-L130 HydrophobicContact CD2-CD1 3.34Å; L90-L130 HydrophobicContact CD2-CD1 4.48Å; L90-L130 HydrophobicContact CD2-CD2 3.79Å; L90-L130 HydrophobicContact CG-CD1 4.27Å; L90-L130 HydrophobicContact CG-CD2 4.42Å; A111-L130 HydrophobicContact CB-CD2 4.12Å; L130-C138 HydrophobicContact CB-CB 3.58Å; L130-C138 WeakPolarHBondContact CD1-O 3.35Å; L130-C138 WeakPolarHBondContact O-CB 3.26Å; L130-G139 PolarHBondContact N-O 3.35Å; L130-I141 HydrophobicContact CD2-CB 4.03Å; L130-I141 HydrophobicContact CD2-CG2 4.11Å; L130-I141 HydrophobicContact CG-CB 4.27Å; L130-I141 HydrophobicContact CG-CG2 4.48Å
131	I	93.4	Very high	89.5	Confident	91 Å²	91	59.3 Å²	59.3	47%	0.467	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-125.2	-178.1	-179.8	63.4	165	0	0	0	110.8	G109 Q110 F112	G109-I131 CarbonylContact C-O 3.52Å; G109-I131 WeakPolarHBondContact CA-O 3.31Å; Q110-I131 HydrophobicContact CG-CG1 4.22Å; Q110-I131 PolarHBondContact N-O 2.59Å; Q110-I131 VanDerWaalsContact O-CG1 3.28Å; Q110-I131 WeakPolarHBondContact O-CG1 3.4Å; Q110-I131 PolarHBondContact O-N 2.97Å; F112-I131 HydrophobicContact CD2-CD1 4.41Å
132	G	85.5	Confident	89.7	Confident	43 Å²	43	58.8 Å²	58.8	44%	0.443	34%	0.337	S	S	.	.	S	Bend	trans	107	-8	173.4	0	0	0	0	0	115
133	I	86.4	Confident	90.1	Very high	28 Å²	28	52.9 Å²	52.9	14%	0.144	31%	0.307	C	S	.	.	S	Bend	trans	-117.5	108.6	171.1	-50.5	174.3	0	0	0	109.2	L29 F107 G135 K136	L29-I133 HydrophobicContact CD2-CD1 3.72Å; F107-I133 HydrophobicContact CD1-CD1 4.19Å; F107-I133 HydrophobicContact CD1-CG1 3.87Å; F107-I133 HydrophobicContact CE1-CG1 4.08Å; F107-I133 VanDerWaalsContact O-CD1 3.32Å; F107-I133 WeakPolarHBondContact O-CD1 3.26Å; I133-G135 PolarHBondContact O-N 3.36Å; I133-K136 HydrophobicContact CB-CB 4.31Å; I133-K136 HydrophobicContact CG2-CB 3.99Å; I133-K136 HydrophobicContact CG2-CD 3.9Å; I133-K136 HydrophobicContact CG2-CG 3.97Å; I133-K136 PolarHBondContact O-N 3.21Å
134	P	84.8	Confident	90.5	Very high	127 Å²	127	56.9 Å²	56.9	83%	0.825	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	130.3	-178	-26	34.7	0	0	0	112.6	K136	P134-K136 VanDerWaalsContact C-N 3.26Å; P134-K136 PolarHBondContact O-N 3.02Å
135	G	83.8	Confident	90.6	Very high	93 Å²	93	56.6 Å²	56.6	96%	0.959	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	3.3	175.1	0	0	0	0	0	116	I133	I133-G135 PolarHBondContact O-N 3.36Å
136	K	86.8	Confident	90.4	Very high	118 Å²	118	56 Å²	56	51%	0.513	32%	0.318	S	S	.	.			trans	-114.3	143	177.4	-64.2	-161.2	-178.1	-176	0	112.2	L29 I133 P134	L29-K136 HydrophobicContact CD1-CD 4.06Å; L29-K136 HydrophobicContact CD2-CD 3.77Å; I133-K136 HydrophobicContact CB-CB 4.31Å; I133-K136 HydrophobicContact CG2-CB 3.99Å; I133-K136 HydrophobicContact CG2-CD 3.9Å; I133-K136 HydrophobicContact CG2-CG 3.97Å; I133-K136 PolarHBondContact O-N 3.21Å; P134-K136 VanDerWaalsContact C-N 3.26Å; P134-K136 PolarHBondContact O-N 3.02Å
137	K	87.9	Confident	90	Very high	195 Å²	195	57.1 Å²	57.1	85%	0.848	32%	0.322	S	S	*	.			trans	-81.1	115.1	166.6	-68.1	-175.1	178.3	-177.7	0	108.1
138	C	91.1	Very high	89	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.014	31%	0.312	C	S	.	.			trans	-92.3	1.2	-173.3	-61.1	0	0	0	0	113.5	L108 L130	L108-C138 WeakPolarHBondContact O-CB 3.32Å; L130-C138 HydrophobicContact CB-CB 3.58Å; L130-C138 WeakPolarHBondContact CD1-O 3.35Å; L130-C138 WeakPolarHBondContact O-CB 3.26Å
139	G	92.7	Very high	87.5	Confident	13 Å²	13	54.4 Å²	54.4	13%	0.134	32%	0.317	C	S	.	.			trans	91.1	-167.4	-171.6	0	0	0	0	0	112.9	R26 N27 L130	R26-G139 WeakPolarHBondContact O-CA 3.46Å; N27-G139 WeakPolarHBondContact O-CA 3.46Å; N27-G139 PolarHBondContact O-N 3.48Å; L130-G139 PolarHBondContact N-O 3.35Å
140	T	94.1	Very high	85.6	Confident	36 Å²	36	57 Å²	57	22%	0.221	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.7	-176.6	-57.4	0	0	0	0	109.2	C25 R26 E127 K128	C25-T140 CarbonylContact C-O 3.56Å; C25-T140 VanDerWaalsContact CA-O 3.22Å; C25-T140 WeakPolarHBondContact CA-O 3.33Å; R26-T140 PolarHBondContact N-O 3.19Å; R26-T140 PolarHBondContact O-N 2.93Å; E127-T140 HydrophobicContact CG-CG2 3.34Å; K128-T140 CarbonylContact O-C 3.58Å; K128-T140 WeakPolarHBondContact O-CA 3.36Å; K128-T140 VanDerWaalsContact O-CG2 3.31Å; K128-T140 WeakPolarHBondContact O-CG2 3.36Å
141	I	94.6	Very high	84.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.7	169.2	-170.2	175	0	0	0	109.6	V23 F88 L90 A111 E127 K128 L130 I143	V23-I141 HydrophobicContact CG1-CD1 3.83Å; V23-I141 HydrophobicContact CG1-CG1 3.93Å; F88-I141 HydrophobicContact CB-CD1 3.59Å; F88-I141 HydrophobicContact CD1-CD1 4Å; F88-I141 HydrophobicContact CD2-CD1 4.47Å; F88-I141 HydrophobicContact CG-CD1 3.78Å; L90-I141 HydrophobicContact CD2-CD1 4.26Å; A111-I141 HydrophobicContact CB-CG2 3.6Å; E127-I141 WeakPolarHBondContact CA-O 3.4Å; K128-I141 HydrophobicContact CB-CG2 4.11Å; K128-I141 PolarHBondContact N-O 3.34Å; K128-I141 WeakPolarHBondContact O-CG2 3.36Å; K128-I141 PolarHBondContact O-N 2.77Å; L130-I141 HydrophobicContact CD2-CB 4.03Å; L130-I141 HydrophobicContact CD2-CG2 4.11Å; L130-I141 HydrophobicContact CG-CB 4.27Å; L130-I141 HydrophobicContact CG-CG2 4.48Å; I141-I143 HydrophobicContact CD1-CD1 4.11Å; I141-I143 HydrophobicContact CD1-CG1 3.97Å; I141-I143 HydrophobicContact CG1-CD1 4.43Å; I141-I143 HydrophobicContact CG1-CG1 3.94Å
142	I	92.2	Very high	83.1	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.077	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.1	174.9	-59.9	159.2	0	0	0	106.9	S24 R26 R125 L126 E127	S24-I142 PolarHBondContact N-O 2.93Å; S24-I142 PolarHBondContact O-N 3.36Å; S24-I142 WeakPolarHBondContact OG-CB 3.4Å; S24-I142 PolarHBondContact OG-O 3.28Å; R26-I142 HydrophobicContact CG-CD1 3.76Å; R125-I142 HydrophobicContact CG-CG2 4.09Å; L126-I142 CarbonylContact O-C 3.58Å; L126-I142 WeakPolarHBondContact O-CA 3.3Å; E127-I142 HydrophobicContact CB-CG1 4.41Å; E127-I142 HydrophobicContact CG-CG1 3.9Å
143	I	92.6	Very high	82.9	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.2	-178.2	-50.7	160.4	0	0	0	108	L21 T22 F88 I118 R125 L126 I141	L21-I143 HydrophobicContact CD2-CG2 4.45Å; T22-I143 WeakPolarHBondContact O-CA 3.23Å; F88-I143 HydrophobicContact CD2-CD1 3.78Å; F88-I143 HydrophobicContact CE1-CD1 4.21Å; F88-I143 HydrophobicContact CE1-CG1 4.45Å; F88-I143 HydrophobicContact CE2-CD1 3.45Å; F88-I143 VanDerWaalsContact CE2-CD1 3.45Å; F88-I143 HydrophobicContact CE2-CG1 4.48Å; F88-I143 HydrophobicContact CG-CD1 4.31Å; F88-I143 HydrophobicContact CZ-CD1 3.68Å; F88-I143 HydrophobicContact CZ-CG1 4.28Å; F88-I143 HydrophobicContact CZ-CG2 4.22Å; I118-I143 HydrophobicContact CD1-CB 4.41Å; I118-I143 HydrophobicContact CD1-CD1 4.3Å; I118-I143 HydrophobicContact CD1-CG2 3.76Å; I118-I143 HydrophobicContact CG1-CG2 4.34Å; I118-I143 HydrophobicContact CG2-CB 4.46Å; I118-I143 HydrophobicContact CG2-CG2 4.06Å; R125-I143 CarbonylContact C-O 3.33Å; R125-I143 WeakPolarHBondContact CA-O 3.48Å; L126-I143 PolarHBondContact N-O 3.42Å; L126-I143 PolarHBondContact O-N 3.4Å; I141-I143 HydrophobicContact CD1-CD1 4.11Å; I141-I143 HydrophobicContact CD1-CG1 3.97Å; I141-I143 HydrophobicContact CG1-CD1 4.43Å; I141-I143 HydrophobicContact CG1-CG1 3.94Å
144	R	87.9	Confident	82.9	Confident	91 Å²	91	55.3 Å²	55.3	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.5	174.5	-163.7	-175.6	-159.7	-152.7	9.3	110.1	L21 T22 S124 E146	L21-R144 CarbonylContact C-O 3.59Å; L21-R144 WeakPolarHBondContact CA-O 3.36Å; T22-R144 PolarHBondContact N-O 3.02Å; T22-R144 PolarHBondContact O-N 3.45Å; S124-R144 CarbonylContact O-C 3.57Å; S124-R144 WeakPolarHBondContact O-CA 3.26Å; R144-E146 IonicContact CZ-OE1 2.88Å; R144-E146 IonicContact NE-OE1 3.87Å; R144-E146 IonicContact NH1-OE1 3.61Å; R144-E146 PolarHBondContact NH1-OE1 3.23Å
145	A	89.1	Confident	83.1	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.7	172.9	0	0	0	0	0	110.9	V19 E20 L21 I118 V119 S124	V19-A145 HydrophobicContact CG1-CB 3.5Å; E20-A145 CarbonylContact O-C 3.57Å; E20-A145 WeakPolarHBondContact O-CA 3.46Å; L21-A145 HydrophobicContact CD2-CB 3.81Å; I118-A145 HydrophobicContact CG2-CB 3.64Å; V119-A145 HydrophobicContact CG1-CB 3.85Å; S124-A145 VanDerWaalsContact CB-O 3.29Å; S124-A145 WeakPolarHBondContact CB-O 3.33Å; S124-A145 PolarHBondContact O-N 3.31Å
146	E	84.4	Confident	83.4	Confident	58 Å²	58	48.8 Å²	48.8	27%	0.271	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	170.6	-65.8	-170.4	179	0	0	109.8	V19 E20 R144 L148 R300	V19-E146 CarbonylContact C-O 3.53Å; V19-E146 WeakPolarHBondContact CA-O 3.42Å; E20-E146 PolarHBondContact N-O 3.21Å; E20-E146 PolarHBondContact O-N 3.37Å; R144-E146 IonicContact CZ-OE1 2.88Å; R144-E146 IonicContact NE-OE1 3.87Å; R144-E146 IonicContact NH1-OE1 3.61Å; R144-E146 PolarHBondContact NH1-OE1 3.23Å; E146-L148 PolarHBondContact O-N 2.93Å; E146-R300 IonicContact OE1-NH2 2.75Å
147	E	83.9	Confident	83.7	Confident	36 Å²	36	43.1 Å²	43.1	17%	0.168	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.2	176.7	178	-176.6	-171.9	0	0	110.7	T17 S149 R152 S294 L296	T17-E147 VanDerWaalsContact CB-OE1 3.25Å; T17-E147 WeakPolarHBondContact CB-OE1 3.36Å; T17-E147 HydrophobicContact CG2-CG 3.69Å; T17-E147 WeakPolarHBondContact CG2-OE1 2.65Å; T17-E147 WeakPolarHBondContact OG1-CG 3.07Å; T17-E147 PolarHBondContact OG1-OE1 2.89Å; E147-S149 PolarHBondContact O-N 2.86Å; E147-R152 VanDerWaalsContact CB-NH2 3.35Å; E147-R152 IonicContact OE2-CZ 2.62Å; E147-R152 IonicContact OE2-NH2 3.9Å; E147-R152 PolarHBondContact OE2-NH2 3.09Å; E147-S294 WeakPolarHBondContact OE2-CB 3.43Å; E147-S294 PolarHBondContact OE2-OG 2.9Å; E147-L296 HydrophobicContact CB-CD1 4.23Å; E147-L296 HydrophobicContact CG-CD1 4.39Å
148	L	73.6	Confident	84	Confident	47 Å²	47	36.7 Å²	36.7	25%	0.246	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	95.7	173.6	-67.5	174.2	0	0	0	109.5	K18 E20 I75 E146	K18-L148 HydrophobicContact CB-CB 4.07Å; K18-L148 HydrophobicContact CB-CD1 4.25Å; K18-L148 PolarHBondContact O-N 3.37Å; E20-L148 HydrophobicContact CB-CD1 3.97Å; E20-L148 HydrophobicContact CB-CD2 3.86Å; E20-L148 HydrophobicContact CB-CG 3.76Å; I75-L148 HydrophobicContact CB-CD1 4.26Å; I75-L148 HydrophobicContact CD1-CD1 3.92Å; I75-L148 HydrophobicContact CG1-CD1 3.86Å; I75-L148 HydrophobicContact CG2-CD1 3.56Å; E146-L148 PolarHBondContact O-N 2.93Å
149	S	63.3	Low	84.3	Confident	49 Å²	49	36.7 Å²	36.7	34%	0.343	19%	0.186	S	C	.	.			trans	-111	113.7	161.8	179.8	0	0	0	0	109.7	E147 C151 R152	E147-S149 PolarHBondContact O-N 2.86Å; S149-C151 PolarHBondContact O-N 2.84Å; S149-R152 VanDerWaalsContact CB-NE 3.3Å; S149-R152 WeakPolarHBondContact OG-CG 3.4Å; S149-R152 PolarHBondContact OG-N 3.14Å
150	N	55.6	Low	84.4	Confident	144 Å²	144	37.1 Å²	37.1	77%	0.77	19%	0.186	S	C	*	.	S	Bend	trans	-71.5	-11.1	179.8	-65	2.9	0	0	0	112.3
151	C	62.6	Low	84.5	Confident	20 Å²	20	35.6 Å²	35.6	14%	0.135	18%	0.178	C	C	.	.			trans	-169.9	106.5	169.7	-166.2	0	0	0	0	110.3	S149 E153 V212 R213	S149-C151 PolarHBondContact O-N 2.84Å; C151-E153 VanDerWaalsContact C-N 3.32Å; C151-V212 VanDerWaalsContact SG-CB 3.54Å; C151-V212 VanDerWaalsContact SG-CG1 3.54Å; C151-R213 HydrophobicContact CB-CB 4.45Å
152	R	71.9	Confident	84.6	Confident	63 Å²	63	38.9 Å²	38.9	24%	0.238	20%	0.195	C	C	.	.			trans	-89.3	2.3	174.4	-63.5	-171.6	-177.7	177	-0.9	113.5	E147 S149 T291 E292 D297	E147-R152 VanDerWaalsContact CB-NH2 3.35Å; E147-R152 IonicContact OE2-CZ 2.62Å; E147-R152 IonicContact OE2-NH2 3.9Å; E147-R152 PolarHBondContact OE2-NH2 3.09Å; S149-R152 VanDerWaalsContact CB-NE 3.3Å; S149-R152 WeakPolarHBondContact OG-CG 3.4Å; S149-R152 PolarHBondContact OG-N 3.14Å; R152-T291 HydrophobicContact CB-CG2 4.02Å; R152-T291 CarbonylContact O-C 3.39Å; R152-E292 PolarHBondContact O-N 3.41Å; R152-D297 IonicContact CZ-OD1 3.74Å; R152-D297 IonicContact CZ-OD2 3.12Å; R152-D297 IonicContact NH1-OD1 3.91Å; R152-D297 PolarHBondContact NH1-OD1 3.42Å; R152-D297 IonicContact NH1-OD2 3.9Å; R152-D297 PolarHBondContact NH1-OD2 3.27Å; R152-D297 IonicContact NH2-OD1 3.39Å
153	E	81.8	Confident	84.7	Confident	52 Å²	52	45.5 Å²	45.5	24%	0.243	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.5	-177.8	-67.5	177.6	-157.5	0	0	109.7	C151 V212 Y220 Y247 V289	C151-E153 VanDerWaalsContact C-N 3.32Å; E153-V212 HydrophobicContact CB-CB 4.1Å; E153-V212 HydrophobicContact CB-CG2 3.64Å; E153-V212 VanDerWaalsContact O-CB 3.26Å; E153-V212 WeakPolarHBondContact O-CB 3.46Å; E153-V212 VanDerWaalsContact O-CG2 3.28Å; E153-V212 WeakPolarHBondContact O-CG2 3.04Å; E153-V212 PolarHBondContact O-N 3.26Å; E153-Y220 PolarHBondContact OE1-OH 2.77Å; E153-Y220 PolarHBondContact OE2-OH 3.3Å; E153-Y220 VanDerWaalsContact OE2-OH 3.09Å; E153-Y247 VanDerWaalsContact OE2-CE1 3.3Å; E153-Y247 WeakPolarHBondContact OE2-CE1 3.49Å; E153-Y247 VanDerWaalsContact OE2-CZ 3.28Å; E153-Y247 PolarHBondContact OE2-OH 3.5Å; E153-V289 HydrophobicContact CB-CG1 4.43Å; E153-V289 HydrophobicContact CG-CG1 4.28Å
154	S	85.9	Confident	84.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.2	165.4	62.6	0	0	0	0	107.6	K209 I210 D290 E292	S154-K209 WeakPolarHBondContact OG-CE 3.5Å; S154-K209 PolarHBondContact OG-NZ 2.85Å; S154-I210 WeakPolarHBondContact CA-O 3.25Å; S154-D290 PolarHBondContact N-O 2.89Å; S154-D290 PolarHBondContact O-N 3.16Å; S154-D290 PolarHBondContact OG-O 3.05Å; S154-E292 WeakPolarHBondContact CB-OE1 3.39Å; S154-E292 WeakPolarHBondContact OG-CG 3.28Å
155	V	88.9	Confident	85	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.6	179.6	64.2	0	0	0	0	109.6	L157 K209 I210 V212 L215 Y247 C287 L288	V155-L157 HydrophobicContact CB-CG 4.48Å; V155-L157 HydrophobicContact CG1-CD1 3.97Å; V155-L157 HydrophobicContact CG1-CD2 4.29Å; V155-L157 HydrophobicContact CG1-CG 3.96Å; V155-L157 HydrophobicContact CG2-CD2 3.54Å; V155-L157 HydrophobicContact CG2-CG 3.91Å; V155-K209 WeakPolarHBondContact O-CA 3.26Å; V155-I210 HydrophobicContact CG1-CG2 3.67Å; V155-I210 PolarHBondContact N-O 3.26Å; V155-I210 PolarHBondContact O-N 3.47Å; V155-V212 HydrophobicContact CG1-CG2 4.46Å; V155-L215 HydrophobicContact CG1-CD2 3.87Å; V155-Y247 HydrophobicContact CB-CE2 4.04Å; V155-Y247 HydrophobicContact CG1-CE2 4.26Å; V155-Y247 HydrophobicContact CG2-CE2 4.32Å; V155-C287 VanDerWaalsContact CG2-SG 3.51Å; V155-L288 WeakPolarHBondContact CA-O 3.49Å
156	M	91.1	Very high	85.1	Confident	82 Å²	82	48.5 Å²	48.5	40%	0.404	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.7	168.8	-174.7	177.9	-69.6	0	0	108.3	A207 F208 C287 L288	M156-A207 HydrophobicContact CG-CB 4.38Å; M156-F208 CarbonylContact C-O 3.59Å; M156-F208 WeakPolarHBondContact CA-O 3.18Å; M156-C287 CarbonylContact O-C 3.6Å; M156-C287 WeakPolarHBondContact O-CA 3.24Å; M156-L288 HydrophobicContact CB-CB 4.27Å; M156-L288 PolarHBondContact N-O 2.81Å; M156-L288 PolarHBondContact O-N 2.85Å
157	L	92.6	Very high	85.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.7	-175.8	-61.3	171.1	0	0	0	110.1	V155 F159 A207 F208 I210 M250 L284 S286 C287	V155-L157 HydrophobicContact CB-CG 4.48Å; V155-L157 HydrophobicContact CG1-CD1 3.97Å; V155-L157 HydrophobicContact CG1-CD2 4.29Å; V155-L157 HydrophobicContact CG1-CG 3.96Å; V155-L157 HydrophobicContact CG2-CD2 3.54Å; V155-L157 HydrophobicContact CG2-CG 3.91Å; L157-F159 HydrophobicContact CB-CD2 4.29Å; L157-F159 HydrophobicContact CB-CE2 3.67Å; L157-F159 HydrophobicContact CB-CZ 4.48Å; L157-F159 HydrophobicContact CD1-CE2 4.06Å; L157-F159 HydrophobicContact CD1-CZ 4.4Å; L157-F159 HydrophobicContact CG-CE2 4.34Å; L157-A207 CarbonylContact O-C 3.59Å; L157-A207 VanDerWaalsContact O-CA 3.26Å; L157-A207 WeakPolarHBondContact O-CA 3.45Å; L157-F208 HydrophobicContact CB-CE1 4.2Å; L157-F208 HydrophobicContact CB-CE2 4.19Å; L157-F208 HydrophobicContact CB-CZ 3.91Å; L157-F208 HydrophobicContact CD1-CE2 4.04Å; L157-F208 HydrophobicContact CD1-CZ 4.04Å; L157-F208 PolarHBondContact N-O 2.87Å; L157-F208 PolarHBondContact O-N 3.25Å; L157-I210 HydrophobicContact CD1-CG2 4.26Å; L157-M250 HydrophobicContact CD1-SD 4.34Å; L157-M250 HydrophobicContact CD2-SD 4.37Å; L157-L284 HydrophobicContact CD2-CD1 3.87Å; L157-S286 WeakPolarHBondContact CA-O 3.5Å; L157-C287 HydrophobicContact CD2-CB 4Å
158	Q	94.9	Very high	85.3	Confident	59 Å²	59	48.1 Å²	48.1	28%	0.276	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.4	168.7	-167.7	178.7	19.5	0	0	109.7	A207 L285 S286	Q158-A207 HydrophobicContact CB-CB 4.05Å; Q158-A207 HydrophobicContact CG-CB 4.24Å; Q158-L285 HydrophobicContact CB-CB 4.29Å; Q158-L285 HydrophobicContact CG-CB 4.4Å; Q158-L285 HydrophobicContact CG-CD1 4.24Å; Q158-L285 WeakPolarHBondContact O-CB 3.49Å; Q158-L285 PolarHBondContact O-N 3.2Å; Q158-S286 PolarHBondContact N-O 2.63Å; Q158-S286 PolarHBondContact O-N 3.12Å
159	F	95.7	Very high	85.5	Confident	2 Å²	2	55 Å²	55	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.6	-177.9	-67.3	-91.7	0	0	0	111.6	L157 L177 F179 W205 F208 M250 F261 V282 T283 L284	L157-F159 HydrophobicContact CB-CD2 4.29Å; L157-F159 HydrophobicContact CB-CE2 3.67Å; L157-F159 HydrophobicContact CB-CZ 4.48Å; L157-F159 HydrophobicContact CD1-CE2 4.06Å; L157-F159 HydrophobicContact CD1-CZ 4.4Å; L157-F159 HydrophobicContact CG-CE2 4.34Å; F159-L177 HydrophobicContact CB-CD1 4.02Å; F159-L177 HydrophobicContact CD2-CD1 4.49Å; F159-L177 HydrophobicContact CG-CD1 4.23Å; F159-F179 AromaticContact CD2-CZ 3.93Å; F159-F179 HydrophobicContact CD2-CZ 3.93Å; F159-F179 AromaticContact CE2-CE1 3.81Å; F159-F179 HydrophobicContact CE2-CE1 3.81Å; F159-F179 AromaticContact CE2-CZ 3.5Å; F159-F179 HydrophobicContact CE2-CZ 3.5Å; F159-F179 VanDerWaalsContact CE2-CZ 3.5Å; F159-F179 AromaticContact CZ-CE1 3.89Å; F159-F179 HydrophobicContact CZ-CE1 3.89Å; F159-F179 AromaticContact CZ-CZ 3.97Å; F159-F179 HydrophobicContact CZ-CZ 3.97Å; F159-W205 HydrophobicContact CB-CE3 3.85Å; F159-W205 HydrophobicContact CB-CZ3 4.28Å; F159-W205 PolarHBondContact O-N 3.27Å; F159-W205 VanDerWaalsContact O-N 3.07Å; F159-F208 HydrophobicContact CD2-CE1 4.01Å; F159-F208 HydrophobicContact CD2-CZ 4.35Å; F159-F208 HydrophobicContact CE2-CE1 4.14Å; F159-F208 HydrophobicContact CE2-CZ 4.01Å; F159-M250 HydrophobicContact CZ-SD 4.19Å; F159-F261 HydrophobicContact CE1-CE2 4.26Å; F159-V282 HydrophobicContact CB-CG1 4.25Å; F159-V282 HydrophobicContact CD1-CG1 3.74Å; F159-V282 HydrophobicContact CG-CG1 4.37Å; F159-T283 CarbonylContact C-O 3.56Å; F159-T283 VanDerWaalsContact CA-O 3.3Å; F159-T283 WeakPolarHBondContact CA-O 3.3Å; F159-L284 HydrophobicContact CD1-CB 4.16Å; F159-L284 HydrophobicContact CD1-CD1 4.07Å; F159-L284 HydrophobicContact CD2-CD1 4.42Å; F159-L284 HydrophobicContact CE1-CB 3.92Å; F159-L284 HydrophobicContact CE1-CD1 3.61Å; F159-L284 HydrophobicContact CE1-CG 4.31Å; F159-L284 HydrophobicContact CE2-CD1 4Å; F159-L284 HydrophobicContact CG-CD1 4.47Å; F159-L284 HydrophobicContact CZ-CD1 3.58Å
160	C	96.3	Very high	86.1	Confident	22 Å²	22	62.9 Å²	62.9	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151	162.4	68.1	0	0	0	0	111.4	P203 V204 V282 T283 L285	C160-P203 CarbonylContact C-O 3.57Å; C160-P203 WeakPolarHBondContact CA-O 3.04Å; C160-P203 VanDerWaalsContact CB-O 3.26Å; C160-P203 WeakPolarHBondContact CB-O 3.42Å; C160-V204 HydrophobicContact CB-CB 4.46Å; C160-V204 HydrophobicContact CB-CG2 3.99Å; C160-V282 CarbonylContact O-C 3.57Å; C160-V282 WeakPolarHBondContact O-CA 3.13Å; C160-T283 PolarHBondContact N-O 3.48Å; C160-T283 PolarHBondContact O-N 2.81Å; C160-L285 HydrophobicContact CB-CD1 3.9Å; C160-L285 HydrophobicContact CB-CG 4.27Å
161	G	96.2	Very high	87.4	Confident	4 Å²	4	57.4 Å²	57.4	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	155	169.6	0	0	0	0	0	111.1	D202 P203 W205 T281	G161-D202 CarbonylContact O-C 3.58Å; G161-D202 VanDerWaalsContact O-CA 3.24Å; G161-D202 WeakPolarHBondContact O-CA 3.25Å; G161-P203 PolarHBondContact N-O 3.15Å; G161-W205 VanDerWaalsContact N-CZ3 3.34Å; G161-T281 CarbonylContact C-O 3.58Å; G161-T281 WeakPolarHBondContact CA-O 3.48Å
162	N	95.9	Very high	88.7	Confident	70 Å²	70	61 Å²	61	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.3	171.1	-165.9	-91.7	0	0	0	110.3	L164 D202 G280 T281	N162-L164 PolarHBondContact O-N 2.84Å; N162-D202 WeakPolarHBondContact CA-OD1 3.21Å; N162-D202 PolarHBondContact ND2-OD1 3.25Å; N162-G280 VanDerWaalsContact O-CA 3.32Å; N162-G280 WeakPolarHBondContact O-CA 3.28Å; N162-T281 PolarHBondContact N-O 3.05Å; N162-T281 PolarHBondContact O-N 3.34Å
163	K	94.9	Very high	89.7	Confident	154 Å²	154	58 Å²	58	67%	0.67	28%	0.276	S	S	*	.	S	Bend	trans	48	44	177	-64.7	170	-175.9	174.2	0	113.2	L201 D202 G280	K163-L201 PolarHBondContact N-O 3.34Å; K163-L201 VanDerWaalsContact N-O 3.15Å; K163-D202 PolarHBondContact N-OD1 3.36Å; K163-G280 WeakPolarHBondContact O-CA 3.35Å
164	L	95.1	Very high	90.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-60.1	151.6	174.5	-63	179.4	0	0	0	110.8	N162 K166 P175 L201 P203 W205 V228 V263 S279	N162-L164 PolarHBondContact O-N 2.84Å; L164-K166 PolarHBondContact O-N 2.92Å; L164-P175 HydrophobicContact CD1-CB 3.69Å; L164-P175 HydrophobicContact CD1-CG 4.01Å; L164-L201 WeakPolarHBondContact CB-O 3.47Å; L164-L201 WeakPolarHBondContact CG-O 3.32Å; L164-L201 PolarHBondContact N-O 3.09Å; L164-L201 WeakPolarHBondContact O-CD1 3.43Å; L164-L201 WeakPolarHBondContact O-CD2 3.3Å; L164-P203 HydrophobicContact CD1-CG 3.73Å; L164-W205 HydrophobicContact CD1-CH2 4.32Å; L164-V228 HydrophobicContact CD1-CG1 4.06Å; L164-V228 HydrophobicContact CD2-CG1 4.4Å; L164-V263 HydrophobicContact CD2-CG2 4.21Å; L164-S279 WeakPolarHBondContact CA-O 3.38Å
165	D	91.5	Very high	90.6	Very high	46 Å²	46	56.6 Å²	56.6	25%	0.246	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-69.1	122.3	178.9	-88.7	-33.8	0	0	0	111.4	K167 S173 I240 K268 S279	D165-K167 HydrophobicContact CB-CD 4.42Å; D165-K167 PolarHBondContact O-N 2.86Å; D165-S173 PolarHBondContact O-OG 2.57Å; D165-I240 HydrophobicContact CB-CG2 4.26Å; D165-K268 IonicContact OD1-NZ 2.63Å; D165-K268 IonicContact OD2-NZ 2.53Å; D165-K268 PolarHBondContact OD2-NZ 3.38Å; D165-S279 PolarHBondContact N-O 2.9Å; D165-S279 VanDerWaalsContact N-O 3.15Å; D165-S279 WeakPolarHBondContact OD2-CA 3.47Å; D165-S279 WeakPolarHBondContact OD2-CB 3.48Å; D165-S279 PolarHBondContact OD2-OG 3.3Å
166	K	91.1	Very high	91	Very high	109 Å²	109	57.3 Å²	57.3	47%	0.474	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-59.2	126.9	169.3	-170.6	-164	-170.8	-143.6	0	111.3	L164 D168 F169 G171 S173 L201	L164-K166 PolarHBondContact O-N 2.92Å; K166-D168 WeakPolarHBondContact CE-O 3.29Å; K166-D168 PolarHBondContact NZ-O 2.71Å; K166-F169 PolarHBondContact NZ-O 3.49Å; K166-G171 WeakPolarHBondContact CE-O 3.33Å; K166-G171 PolarHBondContact NZ-O 3.05Å; K166-S173 WeakPolarHBondContact CA-OG 3.34Å; K166-L201 HydrophobicContact CB-CD1 4.37Å; K166-L201 HydrophobicContact CB-CD2 4.1Å
167	K	89.4	Confident	91.3	Very high	43 Å²	43	53.4 Å²	53.4	19%	0.187	26%	0.255	C	S	.	.			trans	-110.8	-29.9	171.2	-41.1	-56.9	-141	68.5	0	113.9	D165 S173 D230 D238 F239 I240	D165-K167 HydrophobicContact CB-CD 4.42Å; D165-K167 PolarHBondContact O-N 2.86Å; K167-S173 PolarHBondContact N-OG 2.87Å; K167-D230 HydrophobicContact CB-CB 4.2Å; K167-D230 WeakPolarHBondContact CB-OD2 3.24Å; K167-D230 HydrophobicContact CG-CB 3.95Å; K167-D230 WeakPolarHBondContact CG-OD2 3.37Å; K167-D238 HydrophobicContact CB-CB 4.01Å; K167-D238 WeakPolarHBondContact CB-OD2 3.39Å; K167-D238 HydrophobicContact CG-CB 4.1Å; K167-F239 WeakPolarHBondContact CE-O 3.41Å; K167-F239 PolarHBondContact NZ-O 2.82Å; K167-I240 HydrophobicContact CD-CG1 4.47Å; K167-I240 HydrophobicContact CG-CG1 4.04Å
168	D	83.3	Confident	91.5	Very high	42 Å²	42	53.6 Å²	53.6	23%	0.225	26%	0.255	C	S	.	.			trans	-67.1	139.9	176.7	-72.5	-46.6	0	0	0	115.7	K166 K172	K166-D168 WeakPolarHBondContact CE-O 3.29Å; K166-D168 PolarHBondContact NZ-O 2.71Å; D168-K172 VanDerWaalsContact OD2-O 3.12Å
169	F	76.9	Confident	91.5	Very high	191 Å²	191	50.8 Å²	50.8	84%	0.838	24%	0.242	S	C	*	.	S	Bend	trans	-72.2	-42.7	172.7	-80.6	-89.8	0	0	0	112	K166	K166-F169 PolarHBondContact NZ-O 3.49Å
170	F	75.9	Confident	91.4	Very high	215 Å²	215	52.3 Å²	52.3	94%	0.943	25%	0.248	S	C	*	.	S	Bend	trans	-120.3	62.7	-176.7	-72.4	-79	0	0	0	112.9
171	G	83.1	Confident	91	Very high	29 Å²	29	53.8 Å²	53.8	30%	0.299	25%	0.251	S	S	.	.	S	Bend	trans	160.4	178.3	-179.4	0	0	0	0	0	109.6	K166	K166-G171 WeakPolarHBondContact CE-O 3.33Å; K166-G171 PolarHBondContact NZ-O 3.05Å
172	K	90.3	Very high	90.4	Very high	95 Å²	95	54.5 Å²	54.5	41%	0.413	26%	0.255	S	S	.	.			trans	-87.8	166.6	156.7	-62.4	172.4	179.5	-180	0	108	D168 N199 L201	D168-K172 VanDerWaalsContact OD2-O 3.12Å; K172-N199 WeakPolarHBondContact CB-OD1 3.21Å; K172-N199 PolarHBondContact N-OD1 3.24Å; K172-L201 HydrophobicContact CB-CD2 4.06Å; K172-L201 HydrophobicContact CB-CG 4.23Å; K172-L201 HydrophobicContact CD-CG 4.21Å; K172-L201 HydrophobicContact CG-CG 4.24Å
173	S	92.1	Very high	89.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.248	C	C	.	.			trans	-56.9	158.2	174.1	-66.8	0	0	0	0	113.4	D165 K166 K167 P175 N199 T200 D230	D165-S173 PolarHBondContact O-OG 2.57Å; K166-S173 WeakPolarHBondContact CA-OG 3.34Å; K167-S173 PolarHBondContact N-OG 2.87Å; S173-P175 WeakPolarHBondContact O-CD 3.42Å; S173-N199 CarbonylContact O-C 3.5Å; S173-N199 WeakPolarHBondContact O-CA 3.45Å; S173-N199 PolarHBondContact O-N 3.21Å; S173-T200 PolarHBondContact O-N 2.84Å; S173-D230 VanDerWaalsContact CA-OD1 3.25Å; S173-D230 WeakPolarHBondContact CA-OD1 2.94Å; S173-D230 WeakPolarHBondContact CA-OD2 3.45Å; S173-D230 VanDerWaalsContact CB-OD1 3.29Å; S173-D230 WeakPolarHBondContact CB-OD1 3.39Å; S173-D230 WeakPolarHBondContact CB-OD2 3.46Å; S173-D230 PolarHBondContact OG-OD2 3.27Å
174	D	92.9	Very high	88.6	Confident	24 Å²	24	53.9 Å²	53.9	13%	0.128	25%	0.254	C	S	.	.			trans	-107.6	68.5	171.2	-68.7	-15	0	0	0	110.2	V196 V197 K198 N199 D230 W231	D174-V196 HydrophobicContact CB-CG1 3.78Å; D174-V197 CarbonylContact C-O 3.54Å; D174-V197 VanDerWaalsContact CA-O 3.32Å; D174-V197 WeakPolarHBondContact CA-O 3.44Å; D174-K198 WeakPolarHBondContact OD1-CA 3.26Å; D174-K198 WeakPolarHBondContact OD1-CB 3.42Å; D174-N199 PolarHBondContact OD1-N 2.97Å; D174-D230 WeakPolarHBondContact CA-OD1 3.28Å; D174-D230 PolarHBondContact N-OD1 3.09Å; D174-W231 HydrophobicContact CB-CB 4Å; D174-W231 WeakPolarHBondContact O-CB 3.48Å; D174-W231 PolarHBondContact O-N 3.05Å
175	P	95.7	Very high	87.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.9	-167.6	28.6	-39.7	0	0	0	115.6	L164 S173 V197 T200 P203 W205 Y229 I240	L164-P175 HydrophobicContact CD1-CB 3.69Å; L164-P175 HydrophobicContact CD1-CG 4.01Å; S173-P175 WeakPolarHBondContact O-CD 3.42Å; P175-V197 WeakPolarHBondContact CD-O 3.47Å; P175-V197 PolarHBondContact O-N 3Å; P175-T200 VanDerWaalsContact CD-O 3.31Å; P175-T200 WeakPolarHBondContact CD-O 3.21Å; P175-T200 HydrophobicContact CG-CG2 4.14Å; P175-P203 HydrophobicContact CB-CG 4.15Å; P175-P203 HydrophobicContact CG-CB 3.77Å; P175-P203 HydrophobicContact CG-CG 3.53Å; P175-W205 HydrophobicContact CB-CZ2 4.16Å; P175-W205 PolarHBondContact O-NE1 3.22Å; P175-W205 VanDerWaalsContact O-NE1 3.16Å; P175-Y229 CarbonylContact C-O 3.47Å; P175-Y229 WeakPolarHBondContact CA-O 3.32Å; P175-I240 HydrophobicContact CB-CD1 4.34Å
176	F	96.7	Very high	87	Confident	15 Å²	15	60.2 Å²	60.2	7%	0.066	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.8	168	69.6	-81	0	0	0	112	V178 E195 V196 Y229 W231 H237	F176-V178 HydrophobicContact CD2-CG2 3.92Å; F176-V178 HydrophobicContact CE2-CG2 3.52Å; F176-E195 WeakPolarHBondContact CB-O 3.33Å; F176-V196 HydrophobicContact CB-CG2 4.11Å; F176-V196 HydrophobicContact CD1-CG2 4.04Å; F176-V196 HydrophobicContact CG-CG2 4.22Å; F176-Y229 HydrophobicContact CE1-CG 4.37Å; F176-Y229 HydrophobicContact CE2-CD2 4.28Å; F176-Y229 HydrophobicContact CE2-CG 4.4Å; F176-Y229 HydrophobicContact CZ-CD2 4.27Å; F176-Y229 AromaticContact CZ-CG 3.95Å; F176-Y229 HydrophobicContact CZ-CG 3.95Å; F176-Y229 PolarHBondContact N-O 3.46Å; F176-Y229 PolarHBondContact O-N 3.35Å; F176-W231 HydrophobicContact CD1-CB 4.05Å; F176-W231 HydrophobicContact CE1-CB 4.02Å; F176-H237 HydrophobicContact CE1-CB 4.29Å; F176-H237 HydrophobicContact CZ-CB 4.24Å; F176-H237 AromaticContact CZ-CD2 3.73Å
177	L	97.4	Very high	86.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.6	178.9	-57.8	179.9	0	0	0	111.5	F159 F179 K193 T194 W205 V226 E227 V228 V282	F159-L177 HydrophobicContact CB-CD1 4.02Å; F159-L177 HydrophobicContact CD2-CD1 4.49Å; F159-L177 HydrophobicContact CG-CD1 4.23Å; L177-F179 HydrophobicContact CB-CD2 4.42Å; L177-F179 HydrophobicContact CB-CE2 3.79Å; L177-F179 HydrophobicContact CB-CZ 4.46Å; L177-F179 HydrophobicContact CD1-CE2 4.09Å; L177-F179 HydrophobicContact CD1-CZ 4.03Å; L177-K193 WeakPolarHBondContact O-CA 3.33Å; L177-T194 HydrophobicContact CB-CG2 3.87Å; L177-T194 HydrophobicContact CD1-CG2 4.3Å; L177-T194 HydrophobicContact CG-CG2 4.35Å; L177-T194 PolarHBondContact N-OG1 3.36Å; L177-T194 PolarHBondContact O-N 3.25Å; L177-T194 VanDerWaalsContact O-N 3.1Å; L177-W205 HydrophobicContact CD1-CD2 4.08Å; L177-W205 HydrophobicContact CD1-CE3 3.7Å; L177-W205 HydrophobicContact CD1-CH2 4.06Å; L177-W205 HydrophobicContact CD1-CZ2 4.42Å; L177-W205 HydrophobicContact CD1-CZ3 3.69Å; L177-W205 HydrophobicContact CD2-CH2 3.6Å; L177-W205 HydrophobicContact CD2-CZ2 3.89Å; L177-W205 HydrophobicContact CD2-CZ3 4.06Å; L177-W205 HydrophobicContact CG-CD2 4.1Å; L177-W205 HydrophobicContact CG-CE3 4.08Å; L177-W205 HydrophobicContact CG-CH2 3.74Å; L177-W205 HydrophobicContact CG-CZ2 3.76Å; L177-W205 HydrophobicContact CG-CZ3 3.91Å; L177-V226 HydrophobicContact CB-CG1 4.24Å; L177-V226 HydrophobicContact CD2-CG1 4.16Å; L177-E227 CarbonylContact C-O 3.39Å; L177-E227 WeakPolarHBondContact CA-O 3.24Å; L177-V228 HydrophobicContact CD2-CB 4.27Å; L177-V228 HydrophobicContact CD2-CG1 4.15Å; L177-V228 HydrophobicContact CD2-CG2 3.68Å; L177-V282 HydrophobicContact CD1-CG1 4.44Å; L177-V282 HydrophobicContact CD2-CG2 4.31Å
178	V	96.3	Very high	86.5	Confident	3 Å²	3	60 Å²	60	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.1	169.6	-172	0	0	0	0	109	F176 Y180 I190 K193 V226 E227 Y229	F176-V178 HydrophobicContact CD2-CG2 3.92Å; F176-V178 HydrophobicContact CE2-CG2 3.52Å; V178-Y180 HydrophobicContact CB-CE2 3.77Å; V178-Y180 HydrophobicContact CG1-CD2 4.12Å; V178-Y180 HydrophobicContact CG1-CE1 4.27Å; V178-Y180 HydrophobicContact CG1-CE2 3.4Å; V178-Y180 VanDerWaalsContact CG1-CZ 3.5Å; V178-I190 HydrophobicContact CG1-CD1 4.24Å; V178-I190 HydrophobicContact CG1-CG1 4.06Å; V178-I190 HydrophobicContact CG1-CG2 4.08Å; V178-K193 HydrophobicContact CB-CG 4.49Å; V178-K193 HydrophobicContact CG1-CG 4.05Å; V178-K193 HydrophobicContact CG2-CD 4.43Å; V178-K193 HydrophobicContact CG2-CG 4.18Å; V178-V226 WeakPolarHBondContact O-CA 3.3Å; V178-E227 PolarHBondContact N-O 3.13Å; V178-E227 PolarHBondContact O-N 2.96Å; V178-Y229 HydrophobicContact CG2-CD2 3.86Å; V178-Y229 HydrophobicContact CG2-CE2 4.07Å
179	F	95.9	Very high	86.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.5	178.7	-66.8	-102.1	0	0	0	110.1	F159 L177 I190 C191 H192 T194 F208 I224 V226	F159-F179 AromaticContact CD2-CZ 3.93Å; F159-F179 HydrophobicContact CD2-CZ 3.93Å; F159-F179 AromaticContact CE2-CE1 3.81Å; F159-F179 HydrophobicContact CE2-CE1 3.81Å; F159-F179 AromaticContact CE2-CZ 3.5Å; F159-F179 HydrophobicContact CE2-CZ 3.5Å; F159-F179 VanDerWaalsContact CE2-CZ 3.5Å; F159-F179 AromaticContact CZ-CE1 3.89Å; F159-F179 HydrophobicContact CZ-CE1 3.89Å; F159-F179 AromaticContact CZ-CZ 3.97Å; F159-F179 HydrophobicContact CZ-CZ 3.97Å; L177-F179 HydrophobicContact CB-CD2 4.42Å; L177-F179 HydrophobicContact CB-CE2 3.79Å; L177-F179 HydrophobicContact CB-CZ 4.46Å; L177-F179 HydrophobicContact CD1-CE2 4.09Å; L177-F179 HydrophobicContact CD1-CZ 4.03Å; F179-I190 CarbonylContact O-C 3.55Å; F179-I190 WeakPolarHBondContact O-CA 3.44Å; F179-C191 VanDerWaalsContact CB-SG 3.55Å; F179-C191 PolarHBondContact O-N 2.92Å; F179-C191 PolarHBondContact O-SG 3.4Å; F179-H192 HydrophobicContact CB-CB 4.17Å; F179-H192 HydrophobicContact CD2-CB 4.15Å; F179-H192 HydrophobicContact CG-CB 4.41Å; F179-H192 PolarHBondContact N-O 3.25Å; F179-T194 HydrophobicContact CE2-CG2 4.16Å; F179-F208 HydrophobicContact CD2-CZ 4.27Å; F179-F208 HydrophobicContact CE1-CZ 4.22Å; F179-F208 HydrophobicContact CE2-CE1 4.05Å; F179-F208 AromaticContact CE2-CZ 3.65Å; F179-F208 HydrophobicContact CE2-CZ 3.65Å; F179-F208 HydrophobicContact CZ-CE1 4.14Å; F179-F208 AromaticContact CZ-CZ 3.63Å; F179-F208 HydrophobicContact CZ-CZ 3.63Å; F179-I224 HydrophobicContact CD1-CG2 4.3Å; F179-V226 HydrophobicContact CD1-CG1 4.41Å; F179-V226 HydrophobicContact CD1-CG2 3.58Å; F179-V226 HydrophobicContact CE1-CG1 4.2Å; F179-V226 HydrophobicContact CE1-CG2 3.65Å; F179-V226 HydrophobicContact CE2-CG1 4.48Å; F179-V226 HydrophobicContact CG-CG2 4.36Å; F179-V226 HydrophobicContact CZ-CG1 4.22Å; F179-V226 HydrophobicContact CZ-CG2 4.46Å
180	Y	91.7	Very high	86.8	Confident	35 Å²	35	55.6 Å²	55.6	14%	0.137	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.3	177.4	-59.5	-99	0	0	0	111	V178 T189 I190 I224 K225 E227	V178-Y180 HydrophobicContact CB-CE2 3.77Å; V178-Y180 HydrophobicContact CG1-CD2 4.12Å; V178-Y180 HydrophobicContact CG1-CE1 4.27Å; V178-Y180 HydrophobicContact CG1-CE2 3.4Å; V178-Y180 VanDerWaalsContact CG1-CZ 3.5Å; Y180-T189 CarbonylContact C-O 3.42Å; Y180-T189 VanDerWaalsContact CA-O 3.25Å; Y180-T189 WeakPolarHBondContact CA-O 3.47Å; Y180-I190 HydrophobicContact CD1-CG1 3.65Å; Y180-I190 HydrophobicContact CE1-CD1 4.04Å; Y180-I190 HydrophobicContact CE1-CG1 3.28Å; Y180-I224 CarbonylContact O-C 3.49Å; Y180-I224 WeakPolarHBondContact O-CA 3.4Å; Y180-K225 PolarHBondContact N-O 3.41Å; Y180-K225 PolarHBondContact O-N 3.25Å; Y180-E227 HydrophobicContact CD2-CG 4.25Å; Y180-E227 HydrophobicContact CE2-CB 4.03Å; Y180-E227 HydrophobicContact CE2-CG 3.7Å; Y180-E227 WeakPolarHBondContact CE2-OE2 3.17Å; Y180-E227 PolarHBondContact OH-OE2 2.77Å
181	R	88.8	Confident	87.3	Confident	52 Å²	52	46.8 Å²	46.8	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.6	167.7	-179.7	-177.7	69.4	-144	0.8	110	Y188 T189 R213 A214 L215	R181-Y188 WeakPolarHBondContact O-CA 3.5Å; R181-T189 PolarHBondContact N-O 2.81Å; R181-T189 PolarHBondContact O-N 2.81Å; R181-R213 PolarHBondContact NH1-O 2.87Å; R181-A214 PolarHBondContact NH1-O 3.24Å; R181-L215 WeakPolarHBondContact CB-O 3.13Å; R181-L215 WeakPolarHBondContact CG-O 3.24Å
182	S	84.2	Confident	87.8	Confident	20 Å²	20	47.8 Å²	47.8	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136.7	168	67.6	0	0	0	0	112.1	R222 S223	S182-R222 VanDerWaalsContact O-CD 3.32Å; S182-R222 WeakPolarHBondContact O-CD 3.5Å; S182-R222 PolarHBondContact O-NH1 2.79Å; S182-R222 WeakPolarHBondContact OG-CG 3.48Å; S182-S223 WeakPolarHBondContact CB-O 3.37Å; S182-S223 PolarHBondContact N-O 2.56Å; S182-S223 PolarHBondContact OG-O 3.38Å; S182-S223 VanDerWaalsContact OG-O 3.14Å
183	N	79	Confident	88	Confident	41 Å²	41	49 Å²	49	22%	0.219	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-96.4	167.1	174.7	-67	-31	0	0	0	110.9	D185 G186 S187 T189	N183-D185 WeakPolarHBondContact CB-OD1 3.49Å; N183-D185 PolarHBondContact O-N 3.2Å; N183-G186 PolarHBondContact O-N 3.48Å; N183-S187 WeakPolarHBondContact CB-O 3.34Å; N183-S187 WeakPolarHBondContact CB-OG 3.34Å; N183-S187 PolarHBondContact N-O 3.3Å; N183-S187 PolarHBondContact ND2-OG 3.23Å; N183-T189 PolarHBondContact ND2-OG1 2.97Å
184	E	73.4	Confident	88.2	Confident	170 Å²	170	49.7 Å²	49.7	79%	0.794	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.8	-178.4	-68.5	176.3	-174.2	0	0	113	G186 R222	E184-G186 PolarHBondContact O-N 3.43Å; E184-R222 IonicContact OE1-NH2 3.86Å
185	D	77.1	Confident	88.3	Confident	127 Å²	127	52 Å²	52	68%	0.679	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	2.8	173.7	68.3	-12.4	0	0	0	113.3	N183 S187	N183-D185 WeakPolarHBondContact CB-OD1 3.49Å; N183-D185 PolarHBondContact O-N 3.2Å; D185-S187 VanDerWaalsContact C-N 3.27Å; D185-S187 VanDerWaalsContact CG-OG 3.28Å; D185-S187 PolarHBondContact O-N 3.04Å; D185-S187 VanDerWaalsContact OD1-CB 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.19Å; D185-S187 PolarHBondContact OD1-N 3.11Å; D185-S187 PolarHBondContact OD1-OG 3.36Å; D185-S187 PolarHBondContact OD2-OG 3.14Å
186	G	76.7	Confident	88.3	Confident	54 Å²	54	54.4 Å²	54.4	56%	0.557	29%	0.286	S	S	*	.	S	Bend	trans	79.1	1.8	-177.1	0	0	0	0	0	114.7	N183 E184	N183-G186 PolarHBondContact O-N 3.48Å; E184-G186 PolarHBondContact O-N 3.43Å
187	S	83.4	Confident	88.2	Confident	46 Å²	46	55.3 Å²	55.3	32%	0.322	29%	0.292	S	S	.	.			trans	-75.3	168.1	172.5	72.1	0	0	0	0	111.8	N183 D185	N183-S187 WeakPolarHBondContact CB-O 3.34Å; N183-S187 WeakPolarHBondContact CB-OG 3.34Å; N183-S187 PolarHBondContact N-O 3.3Å; N183-S187 PolarHBondContact ND2-OG 3.23Å; D185-S187 VanDerWaalsContact C-N 3.27Å; D185-S187 VanDerWaalsContact CG-OG 3.28Å; D185-S187 PolarHBondContact O-N 3.04Å; D185-S187 VanDerWaalsContact OD1-CB 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.19Å; D185-S187 PolarHBondContact OD1-N 3.11Å; D185-S187 PolarHBondContact OD1-OG 3.36Å; D185-S187 PolarHBondContact OD2-OG 3.14Å
188	Y	85.3	Confident	88	Confident	100 Å²	100	62.5 Å²	62.5	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.6	178.7	-76.6	-80.2	0	0	0	110.7	R181 K225	R181-Y188 WeakPolarHBondContact O-CA 3.5Å; Y188-K225 HydrophobicContact CD1-CB 4.08Å; Y188-K225 HydrophobicContact CE1-CB 3.69Å
189	T	80.9	Confident	87.8	Confident	59 Å²	59	67 Å²	67	36%	0.362	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	175.3	-55.1	0	0	0	0	110	Y180 R181 N183 C191	Y180-T189 CarbonylContact C-O 3.42Å; Y180-T189 VanDerWaalsContact CA-O 3.25Å; Y180-T189 WeakPolarHBondContact CA-O 3.47Å; R181-T189 PolarHBondContact N-O 2.81Å; R181-T189 PolarHBondContact O-N 2.81Å; N183-T189 PolarHBondContact ND2-OG1 2.97Å; T189-C191 PolarHBondContact O-N 3.12Å
190	I	86.1	Confident	87.7	Confident	83 Å²	83	68.2 Å²	68.2	43%	0.426	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	128.5	175.6	-62.5	171.7	0	0	0	108.9	V178 F179 Y180 K193	V178-I190 HydrophobicContact CG1-CD1 4.24Å; V178-I190 HydrophobicContact CG1-CG1 4.06Å; V178-I190 HydrophobicContact CG1-CG2 4.08Å; F179-I190 CarbonylContact O-C 3.55Å; F179-I190 WeakPolarHBondContact O-CA 3.44Å; Y180-I190 HydrophobicContact CD1-CG1 3.65Å; Y180-I190 HydrophobicContact CE1-CD1 4.04Å; Y180-I190 HydrophobicContact CE1-CG1 3.28Å; I190-K193 HydrophobicContact CG2-CG 4.24Å
191	C	87.2	Confident	87.8	Confident	30 Å²	30	68.3 Å²	68.3	20%	0.203	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-23.5	175.2	59.3	0	0	0	0	113.2	F179 T189 I210 A214	F179-C191 VanDerWaalsContact CB-SG 3.55Å; F179-C191 PolarHBondContact O-N 2.92Å; F179-C191 PolarHBondContact O-SG 3.4Å; T189-C191 PolarHBondContact O-N 3.12Å; C191-I210 HydrophobicContact CB-CD1 4.08Å; C191-A214 WeakPolarHBondContact CB-O 3.24Å
192	H	92.4	Very high	88.2	Confident	50 Å²	50	69.2 Å²	69.2	23%	0.231	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	155.1	175.4	-171.7	73.1	0	0	0	112.6	F179 F208 I210	F179-H192 HydrophobicContact CB-CB 4.17Å; F179-H192 HydrophobicContact CD2-CB 4.15Å; F179-H192 HydrophobicContact CG-CB 4.41Å; F179-H192 PolarHBondContact N-O 3.25Å; H192-F208 HydrophobicContact CB-CE2 4.44Å; H192-F208 AromaticContact CD2-CD1 3.96Å; H192-F208 AromaticContact CD2-CD2 3.52Å; H192-F208 AromaticContact CD2-CE1 3.92Å; H192-F208 AromaticContact CD2-CE2 3.48Å; H192-F208 VanDerWaalsContact CD2-CE2 3.48Å; H192-F208 WeakPolarHBondContact CD2-CE2 3.34Å; H192-F208 AromaticContact CD2-CG 3.77Å; H192-F208 AromaticContact CD2-CZ 3.68Å; H192-F208 AromaticContact CE1-CD2 3.74Å; H192-F208 AromaticContact CE1-CG 3.75Å; H192-F208 AromaticContact CG-CD2 3.9Å; H192-F208 AromaticContact CG-CE2 3.89Å; H192-F208 AromaticContact NE2-CD1 3.57Å; H192-F208 AromaticContact NE2-CD2 3.44Å; H192-F208 WeakPolarHBondContact NE2-CD2 3.2Å; H192-F208 AromaticContact NE2-CE2 3.89Å; H192-F208 AromaticContact NE2-CG 3.26Å; H192-F208 VanDerWaalsContact NE2-CG 3.26Å; H192-F208 WeakPolarHBondContact NE2-CG 3.19Å; H192-I210 HydrophobicContact CB-CD1 3.97Å
193	K	94.7	Very high	88.8	Confident	120 Å²	120	68.3 Å²	68.3	52%	0.522	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.9	170	-67.6	-172.6	178.9	-179.2	0	109.4	L177 V178 I190	L177-K193 WeakPolarHBondContact O-CA 3.33Å; V178-K193 HydrophobicContact CB-CG 4.49Å; V178-K193 HydrophobicContact CG1-CG 4.05Å; V178-K193 HydrophobicContact CG2-CD 4.43Å; V178-K193 HydrophobicContact CG2-CG 4.18Å; I190-K193 HydrophobicContact CG2-CG 4.24Å
194	T	96.6	Very high	89.6	Confident	15 Å²	15	70.3 Å²	70.3	9%	0.092	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-79	171.8	174.7	65	0	0	0	0	111.1	L177 F179 W205 F208	L177-T194 HydrophobicContact CB-CG2 3.87Å; L177-T194 HydrophobicContact CD1-CG2 4.3Å; L177-T194 HydrophobicContact CG-CG2 4.35Å; L177-T194 PolarHBondContact N-OG1 3.36Å; L177-T194 PolarHBondContact O-N 3.25Å; L177-T194 VanDerWaalsContact O-N 3.1Å; F179-T194 HydrophobicContact CE2-CG2 4.16Å; T194-W205 HydrophobicContact CG2-CB 4.25Å; T194-W205 HydrophobicContact CG2-CG 4.23Å; T194-F208 HydrophobicContact CG2-CD1 4.43Å; T194-F208 HydrophobicContact CG2-CE1 4.14Å
195	E	95.9	Very high	90.8	Very high	72 Å²	72	62.3 Å²	62.3	34%	0.336	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-66.1	161.7	165	80.6	-73.5	-174.2	0	0	112.3	F176 V197 W205 Q206	F176-E195 WeakPolarHBondContact CB-O 3.33Å; E195-V197 HydrophobicContact CG-CG2 4.44Å; E195-W205 VanDerWaalsContact O-CD1 3.31Å; E195-W205 PolarHBondContact O-NE1 2.7Å; E195-W205 WeakPolarHBondContact OE1-CA 3.38Å; E195-Q206 WeakPolarHBondContact OE1-CG 3.21Å; E195-Q206 PolarHBondContact OE1-N 3.23Å
196	V	95.6	Very high	91.7	Very high	50 Å²	50	62.8 Å²	62.8	30%	0.303	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-87.9	123	173.6	176.6	0	0	0	0	109.1	D174 F176 K198 W231	D174-V196 HydrophobicContact CB-CG1 3.78Å; F176-V196 HydrophobicContact CB-CG2 4.11Å; F176-V196 HydrophobicContact CD1-CG2 4.04Å; F176-V196 HydrophobicContact CG-CG2 4.22Å; V196-K198 HydrophobicContact CG1-CG 4.47Å; V196-W231 HydrophobicContact CB-CB 4.44Å; V196-W231 HydrophobicContact CG1-CB 3.61Å; V196-W231 HydrophobicContact CG1-CG 4.04Å; V196-W231 HydrophobicContact CG2-CB 3.9Å; V196-W231 HydrophobicContact CG2-CG 3.9Å
197	V	94.4	Very high	92.5	Very high	35 Å²	35	62.5 Å²	62.5	21%	0.212	33%	0.327	C	S	.	.			trans	-102	112.8	176	-173.7	0	0	0	0	109	D174 P175 E195 T200 P203 W205	D174-V197 CarbonylContact C-O 3.54Å; D174-V197 VanDerWaalsContact CA-O 3.32Å; D174-V197 WeakPolarHBondContact CA-O 3.44Å; P175-V197 WeakPolarHBondContact CD-O 3.47Å; P175-V197 PolarHBondContact O-N 3Å; E195-V197 HydrophobicContact CG-CG2 4.44Å; V197-T200 HydrophobicContact CB-CG2 4.15Å; V197-T200 HydrophobicContact CG1-CG2 3.6Å; V197-P203 HydrophobicContact CB-CB 3.87Å; V197-P203 HydrophobicContact CG1-CB 4.15Å; V197-P203 HydrophobicContact CG2-CB 4.05Å; V197-W205 HydrophobicContact CG2-CG 4.45Å
198	K	92.2	Very high	92.9	Very high	151 Å²	151	61.3 Å²	61.3	66%	0.657	32%	0.316	S	S	*	.			trans	-77.2	145.1	-169.5	-63.1	-175.1	178.2	-179.3	0	114.3	D174 V196 T200	D174-K198 WeakPolarHBondContact OD1-CA 3.26Å; D174-K198 WeakPolarHBondContact OD1-CB 3.42Å; V196-K198 HydrophobicContact CG1-CG 4.47Å; K198-T200 PolarHBondContact O-N 2.73Å
199	N	92	Very high	93.1	Very high	97 Å²	97	60.6 Å²	60.6	52%	0.519	32%	0.315	S	S	.	.	S	Bend	trans	51.9	50.5	167.3	-169.8	25.9	0	0	0	113.1	K172 S173 D174	K172-N199 WeakPolarHBondContact CB-OD1 3.21Å; K172-N199 PolarHBondContact N-OD1 3.24Å; S173-N199 CarbonylContact O-C 3.5Å; S173-N199 WeakPolarHBondContact O-CA 3.45Å; S173-N199 PolarHBondContact O-N 3.21Å; D174-N199 PolarHBondContact OD1-N 2.97Å
200	T	94.3	Very high	93.4	Very high	26 Å²	26	58 Å²	58	16%	0.16	30%	0.299	C	S	.	.			trans	-145.7	150.1	178.9	-169.7	0	0	0	0	112.9	S173 P175 V197 K198 D202 P203	S173-T200 PolarHBondContact O-N 2.84Å; P175-T200 VanDerWaalsContact CD-O 3.31Å; P175-T200 WeakPolarHBondContact CD-O 3.21Å; P175-T200 HydrophobicContact CG-CG2 4.14Å; V197-T200 HydrophobicContact CB-CG2 4.15Å; V197-T200 HydrophobicContact CG1-CG2 3.6Å; K198-T200 PolarHBondContact O-N 2.73Å; T200-D202 PolarHBondContact OG1-N 3.19Å; T200-D202 VanDerWaalsContact OG1-N 3.09Å; T200-P203 HydrophobicContact CG2-CB 3.85Å
201	L	94	Very high	93.4	Very high	36 Å²	36	56.7 Å²	56.7	19%	0.188	30%	0.295	C	S	.	.	S	Bend	trans	-104.9	-3	169	-56.8	-175.4	0	0	0	111.6	K163 L164 K166 K172 P203	K163-L201 PolarHBondContact N-O 3.34Å; K163-L201 VanDerWaalsContact N-O 3.15Å; L164-L201 WeakPolarHBondContact CB-O 3.47Å; L164-L201 WeakPolarHBondContact CG-O 3.32Å; L164-L201 PolarHBondContact N-O 3.09Å; L164-L201 WeakPolarHBondContact O-CD1 3.43Å; L164-L201 WeakPolarHBondContact O-CD2 3.3Å; K166-L201 HydrophobicContact CB-CD1 4.37Å; K166-L201 HydrophobicContact CB-CD2 4.1Å; K172-L201 HydrophobicContact CB-CD2 4.06Å; K172-L201 HydrophobicContact CB-CG 4.23Å; K172-L201 HydrophobicContact CD-CG 4.21Å; K172-L201 HydrophobicContact CG-CG 4.24Å; L201-P203 VanDerWaalsContact C-CD 3.41Å
202	D	96.3	Very high	93.3	Very high	72 Å²	72	55.2 Å²	55.2	39%	0.385	29%	0.286	S	S	.	.	S	Bend	trans	-130.5	60	-175.7	-53.2	-80.7	0	0	0	109.1	G161 N162 K163 T200	G161-D202 CarbonylContact O-C 3.58Å; G161-D202 VanDerWaalsContact O-CA 3.24Å; G161-D202 WeakPolarHBondContact O-CA 3.25Å; N162-D202 WeakPolarHBondContact CA-OD1 3.21Å; N162-D202 PolarHBondContact ND2-OD1 3.25Å; K163-D202 PolarHBondContact N-OD1 3.36Å; T200-D202 PolarHBondContact OG1-N 3.19Å; T200-D202 VanDerWaalsContact OG1-N 3.09Å
203	P	96.7	Very high	92.8	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	30%	0.302	C	S	.	.			trans	-67.8	148.2	-176.6	30.4	-38	0	0	0	111.6	C160 G161 L164 P175 V197 T200 L201 W205	C160-P203 CarbonylContact C-O 3.57Å; C160-P203 WeakPolarHBondContact CA-O 3.04Å; C160-P203 VanDerWaalsContact CB-O 3.26Å; C160-P203 WeakPolarHBondContact CB-O 3.42Å; G161-P203 PolarHBondContact N-O 3.15Å; L164-P203 HydrophobicContact CD1-CG 3.73Å; P175-P203 HydrophobicContact CB-CG 4.15Å; P175-P203 HydrophobicContact CG-CB 3.77Å; P175-P203 HydrophobicContact CG-CG 3.53Å; V197-P203 HydrophobicContact CB-CB 3.87Å; V197-P203 HydrophobicContact CG1-CB 4.15Å; V197-P203 HydrophobicContact CG2-CB 4.05Å; T200-P203 HydrophobicContact CG2-CB 3.85Å; L201-P203 VanDerWaalsContact C-CD 3.41Å; P203-W205 HydrophobicContact CB-CD2 4.33Å; P203-W205 HydrophobicContact CB-CH2 4.3Å; P203-W205 HydrophobicContact CB-CZ2 3.88Å; P203-W205 HydrophobicContact CG-CD2 4.42Å; P203-W205 HydrophobicContact CG-CE3 4.44Å; P203-W205 HydrophobicContact CG-CH2 3.39Å; P203-W205 HydrophobicContact CG-CZ2 3.32Å; P203-W205 HydrophobicContact CG-CZ3 3.97Å
204	V	96.6	Very high	92.3	Very high	83 Å²	83	56 Å²	56	50%	0.503	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-117.3	113.8	163.1	-178.8	0	0	0	0	106.1	C160 L285	C160-V204 HydrophobicContact CB-CB 4.46Å; C160-V204 HydrophobicContact CB-CG2 3.99Å; V204-L285 HydrophobicContact CG1-CD1 4.26Å
205	W	97.5	Very high	91.8	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.008	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-85.6	151.4	178.9	-61.8	-78.3	0	0	0	110.6	F159 G161 L164 P175 L177 T194 E195 V197 P203 V282	F159-W205 HydrophobicContact CB-CE3 3.85Å; F159-W205 HydrophobicContact CB-CZ3 4.28Å; F159-W205 PolarHBondContact O-N 3.27Å; F159-W205 VanDerWaalsContact O-N 3.07Å; G161-W205 VanDerWaalsContact N-CZ3 3.34Å; L164-W205 HydrophobicContact CD1-CH2 4.32Å; P175-W205 HydrophobicContact CB-CZ2 4.16Å; P175-W205 PolarHBondContact O-NE1 3.22Å; P175-W205 VanDerWaalsContact O-NE1 3.16Å; L177-W205 HydrophobicContact CD1-CD2 4.08Å; L177-W205 HydrophobicContact CD1-CE3 3.7Å; L177-W205 HydrophobicContact CD1-CH2 4.06Å; L177-W205 HydrophobicContact CD1-CZ2 4.42Å; L177-W205 HydrophobicContact CD1-CZ3 3.69Å; L177-W205 HydrophobicContact CD2-CH2 3.6Å; L177-W205 HydrophobicContact CD2-CZ2 3.89Å; L177-W205 HydrophobicContact CD2-CZ3 4.06Å; L177-W205 HydrophobicContact CG-CD2 4.1Å; L177-W205 HydrophobicContact CG-CE3 4.08Å; L177-W205 HydrophobicContact CG-CH2 3.74Å; L177-W205 HydrophobicContact CG-CZ2 3.76Å; L177-W205 HydrophobicContact CG-CZ3 3.91Å; T194-W205 HydrophobicContact CG2-CB 4.25Å; T194-W205 HydrophobicContact CG2-CG 4.23Å; E195-W205 VanDerWaalsContact O-CD1 3.31Å; E195-W205 PolarHBondContact O-NE1 2.7Å; E195-W205 WeakPolarHBondContact OE1-CA 3.38Å; V197-W205 HydrophobicContact CG2-CG 4.45Å; P203-W205 HydrophobicContact CB-CD2 4.33Å; P203-W205 HydrophobicContact CB-CH2 4.3Å; P203-W205 HydrophobicContact CB-CZ2 3.88Å; P203-W205 HydrophobicContact CG-CD2 4.42Å; P203-W205 HydrophobicContact CG-CE3 4.44Å; P203-W205 HydrophobicContact CG-CH2 3.39Å; P203-W205 HydrophobicContact CG-CZ2 3.32Å; P203-W205 HydrophobicContact CG-CZ3 3.97Å; W205-V282 HydrophobicContact CH2-CG2 4.3Å; W205-V282 HydrophobicContact CZ3-CG1 4.37Å; W205-V282 HydrophobicContact CZ3-CG2 4.36Å
206	Q	95.8	Very high	91.3	Very high	136 Å²	136	51.9 Å²	51.9	64%	0.636	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-60.5	146.9	174.8	-68	-60.9	-28.2	0	0	110.5	E195	E195-Q206 WeakPolarHBondContact OE1-CG 3.21Å; E195-Q206 PolarHBondContact OE1-N 3.23Å
207	A	94.3	Very high	90.3	Very high	49 Å²	49	52.8 Å²	52.8	41%	0.405	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-66.5	139.4	173.2	0	0	0	0	0	109.7	M156 L157 Q158	M156-A207 HydrophobicContact CG-CB 4.38Å; L157-A207 CarbonylContact O-C 3.59Å; L157-A207 VanDerWaalsContact O-CA 3.26Å; L157-A207 WeakPolarHBondContact O-CA 3.45Å; Q158-A207 HydrophobicContact CB-CB 4.05Å; Q158-A207 HydrophobicContact CG-CB 4.24Å
208	F	92.8	Very high	89.3	Confident	20 Å²	20	52.3 Å²	52.3	9%	0.088	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.1	178.7	64.7	-91.8	0	0	0	111	M156 L157 F159 F179 H192 T194 I210	M156-F208 CarbonylContact C-O 3.59Å; M156-F208 WeakPolarHBondContact CA-O 3.18Å; L157-F208 HydrophobicContact CB-CE1 4.2Å; L157-F208 HydrophobicContact CB-CE2 4.19Å; L157-F208 HydrophobicContact CB-CZ 3.91Å; L157-F208 HydrophobicContact CD1-CE2 4.04Å; L157-F208 HydrophobicContact CD1-CZ 4.04Å; L157-F208 PolarHBondContact N-O 2.87Å; L157-F208 PolarHBondContact O-N 3.25Å; F159-F208 HydrophobicContact CD2-CE1 4.01Å; F159-F208 HydrophobicContact CD2-CZ 4.35Å; F159-F208 HydrophobicContact CE2-CE1 4.14Å; F159-F208 HydrophobicContact CE2-CZ 4.01Å; F179-F208 HydrophobicContact CD2-CZ 4.27Å; F179-F208 HydrophobicContact CE1-CZ 4.22Å; F179-F208 HydrophobicContact CE2-CE1 4.05Å; F179-F208 AromaticContact CE2-CZ 3.65Å; F179-F208 HydrophobicContact CE2-CZ 3.65Å; F179-F208 HydrophobicContact CZ-CE1 4.14Å; F179-F208 AromaticContact CZ-CZ 3.63Å; F179-F208 HydrophobicContact CZ-CZ 3.63Å; H192-F208 HydrophobicContact CB-CE2 4.44Å; H192-F208 AromaticContact CD2-CD1 3.96Å; H192-F208 AromaticContact CD2-CD2 3.52Å; H192-F208 AromaticContact CD2-CE1 3.92Å; H192-F208 AromaticContact CD2-CE2 3.48Å; H192-F208 VanDerWaalsContact CD2-CE2 3.48Å; H192-F208 WeakPolarHBondContact CD2-CE2 3.34Å; H192-F208 AromaticContact CD2-CG 3.77Å; H192-F208 AromaticContact CD2-CZ 3.68Å; H192-F208 AromaticContact CE1-CD2 3.74Å; H192-F208 AromaticContact CE1-CG 3.75Å; H192-F208 AromaticContact CG-CD2 3.9Å; H192-F208 AromaticContact CG-CE2 3.89Å; H192-F208 AromaticContact NE2-CD1 3.57Å; H192-F208 AromaticContact NE2-CD2 3.44Å; H192-F208 WeakPolarHBondContact NE2-CD2 3.2Å; H192-F208 AromaticContact NE2-CE2 3.89Å; H192-F208 AromaticContact NE2-CG 3.26Å; H192-F208 VanDerWaalsContact NE2-CG 3.26Å; H192-F208 WeakPolarHBondContact NE2-CG 3.19Å; T194-F208 HydrophobicContact CG2-CD1 4.43Å; T194-F208 HydrophobicContact CG2-CE1 4.14Å; F208-I210 HydrophobicContact CD2-CB 4.41Å; F208-I210 HydrophobicContact CD2-CG2 4.49Å; F208-I210 HydrophobicContact CE2-CB 4.41Å; F208-I210 HydrophobicContact CE2-CG2 4.14Å
209	K	89.1	Confident	88.8	Confident	85 Å²	85	48.4 Å²	48.4	37%	0.37	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.4	175.5	-175.8	171.5	177.7	162.6	0	109.2	S154 V155 D290 E292	S154-K209 WeakPolarHBondContact OG-CE 3.5Å; S154-K209 PolarHBondContact OG-NZ 2.85Å; V155-K209 WeakPolarHBondContact O-CA 3.26Å; K209-D290 IonicContact NZ-OD2 2.84Å; K209-D290 PolarHBondContact NZ-OD2 2.81Å; K209-E292 VanDerWaalsContact CE-OE1 3.29Å; K209-E292 WeakPolarHBondContact CE-OE1 3.04Å; K209-E292 IonicContact NZ-OE1 3.32Å
210	I	87.1	Confident	88.7	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.4	175.4	-168.6	175	0	0	0	110.8	S154 V155 L157 C191 H192 F208 A214 L215	S154-I210 WeakPolarHBondContact CA-O 3.25Å; V155-I210 HydrophobicContact CG1-CG2 3.67Å; V155-I210 PolarHBondContact N-O 3.26Å; V155-I210 PolarHBondContact O-N 3.47Å; L157-I210 HydrophobicContact CD1-CG2 4.26Å; C191-I210 HydrophobicContact CB-CD1 4.08Å; H192-I210 HydrophobicContact CB-CD1 3.97Å; F208-I210 HydrophobicContact CD2-CB 4.41Å; F208-I210 HydrophobicContact CD2-CG2 4.49Å; F208-I210 HydrophobicContact CE2-CB 4.41Å; F208-I210 HydrophobicContact CE2-CG2 4.14Å; I210-A214 HydrophobicContact CD1-CB 4.42Å; I210-A214 HydrophobicContact CG1-CB 4.1Å; I210-L215 HydrophobicContact CD1-CB 4.1Å; I210-L215 HydrophobicContact CD1-CD1 4.04Å; I210-L215 HydrophobicContact CG1-CB 4.45Å; I210-L215 HydrophobicContact CG2-CB 4.4Å; I210-L215 HydrophobicContact CG2-CD1 4.42Å; I210-L215 HydrophobicContact CG2-CD2 4.2Å
211	P	85.1	Confident	88.4	Confident	55 Å²	55	50 Å²	50	36%	0.357	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	136	171.3	-23.7	34.3	0	0	0	111.1	R213 A214 L215	P211-R213 PolarHBondContact O-N 3.41Å; P211-A214 HydrophobicContact CB-CB 4.26Å; P211-A214 WeakPolarHBondContact O-CA 3Å; P211-A214 WeakPolarHBondContact O-CB 3.33Å; P211-A214 PolarHBondContact O-N 3.49Å; P211-L215 PolarHBondContact O-N 3.38Å
212	V	85.9	Confident	88.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-28.6	-179.9	172.9	0	0	0	0	111	C151 E153 V155 L215 C216 N217 Y220 Y247	C151-V212 VanDerWaalsContact SG-CB 3.54Å; C151-V212 VanDerWaalsContact SG-CG1 3.54Å; E153-V212 HydrophobicContact CB-CB 4.1Å; E153-V212 HydrophobicContact CB-CG2 3.64Å; E153-V212 VanDerWaalsContact O-CB 3.26Å; E153-V212 WeakPolarHBondContact O-CB 3.46Å; E153-V212 VanDerWaalsContact O-CG2 3.28Å; E153-V212 WeakPolarHBondContact O-CG2 3.04Å; E153-V212 PolarHBondContact O-N 3.26Å; V155-V212 HydrophobicContact CG1-CG2 4.46Å; V212-L215 PolarHBondContact O-N 2.77Å; V212-C216 WeakPolarHBondContact CG1-SG 3.28Å; V212-C216 PolarHBondContact O-N 3.04Å; V212-C216 PolarHBondContact O-SG 2.9Å; V212-N217 PolarHBondContact O-N 3.42Å; V212-Y220 HydrophobicContact CG1-CD1 4.05Å; V212-Y220 HydrophobicContact CG1-CE1 3.73Å; V212-Y247 HydrophobicContact CG1-CD1 4.19Å; V212-Y247 HydrophobicContact CG1-CD2 4.35Å; V212-Y247 HydrophobicContact CG1-CE1 4.23Å; V212-Y247 HydrophobicContact CG1-CE2 4.43Å; V212-Y247 HydrophobicContact CG1-CG 4.23Å; V212-Y247 HydrophobicContact CG2-CD2 3.99Å; V212-Y247 HydrophobicContact CG2-CE1 4.33Å; V212-Y247 HydrophobicContact CG2-CE2 3.47Å; V212-Y247 VanDerWaalsContact CG2-CE2 3.47Å
213	R	82.6	Confident	87.9	Confident	154 Å²	154	48.5 Å²	48.5	58%	0.581	26%	0.258	S	S	*	.	H	α-helix	trans	-63.1	-43.4	169.6	-171.4	179.9	-177.9	-173.3	-0.4	113	C151 R181 P211 L215 N217	C151-R213 HydrophobicContact CB-CB 4.45Å; R181-R213 PolarHBondContact NH1-O 2.87Å; P211-R213 PolarHBondContact O-N 3.41Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 2.96Å; R213-N217 WeakPolarHBondContact O-CA 3.34Å; R213-N217 PolarHBondContact O-N 3.21Å
214	A	82.6	Confident	87.9	Confident	33 Å²	33	48.4 Å²	48.4	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-41.2	176.5	0	0	0	0	0	110.4	R181 C191 I210 P211	R181-A214 PolarHBondContact NH1-O 3.24Å; C191-A214 WeakPolarHBondContact CB-O 3.24Å; I210-A214 HydrophobicContact CD1-CB 4.42Å; I210-A214 HydrophobicContact CG1-CB 4.1Å; P211-A214 HydrophobicContact CB-CB 4.26Å; P211-A214 WeakPolarHBondContact O-CA 3Å; P211-A214 WeakPolarHBondContact O-CB 3.33Å; P211-A214 PolarHBondContact O-N 3.49Å
215	L	86.6	Confident	87.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.6	-46.2	-177.2	-172.7	64.3	0	0	0	113.6	V155 R181 I210 P211 V212 R213 I224 Y247 M250	V155-L215 HydrophobicContact CG1-CD2 3.87Å; R181-L215 WeakPolarHBondContact CB-O 3.13Å; R181-L215 WeakPolarHBondContact CG-O 3.24Å; I210-L215 HydrophobicContact CD1-CB 4.1Å; I210-L215 HydrophobicContact CD1-CD1 4.04Å; I210-L215 HydrophobicContact CG1-CB 4.45Å; I210-L215 HydrophobicContact CG2-CB 4.4Å; I210-L215 HydrophobicContact CG2-CD1 4.42Å; I210-L215 HydrophobicContact CG2-CD2 4.2Å; P211-L215 PolarHBondContact O-N 3.38Å; V212-L215 PolarHBondContact O-N 2.77Å; R213-L215 VanDerWaalsContact C-N 3.29Å; R213-L215 PolarHBondContact O-N 2.96Å; L215-I224 HydrophobicContact CD1-CD1 3.88Å; L215-I224 HydrophobicContact CD1-CG1 4.28Å; L215-I224 HydrophobicContact CD1-CG2 4.04Å; L215-I224 HydrophobicContact CD2-CD1 3.92Å; L215-I224 HydrophobicContact CG-CD1 3.57Å; L215-I224 HydrophobicContact CG-CG1 4.22Å; L215-Y247 HydrophobicContact CD2-CD2 4.3Å; L215-M250 HydrophobicContact CD2-CE 3.86Å
216	C	84.9	Confident	87.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-146	16.1	-171	73.2	0	0	0	0	114.5	V212 G218 D219 R222 I224	V212-C216 WeakPolarHBondContact CG1-SG 3.28Å; V212-C216 PolarHBondContact O-N 3.04Å; V212-C216 PolarHBondContact O-SG 2.9Å; C216-G218 PolarHBondContact O-N 2.75Å; C216-G218 VanDerWaalsContact O-N 3.14Å; C216-D219 WeakPolarHBondContact CB-O 3.49Å; C216-D219 PolarHBondContact O-N 2.95Å; C216-D219 PolarHBondContact SG-O 3.04Å; C216-R222 HydrophobicContact CB-CB 4.18Å; C216-R222 VanDerWaalsContact O-CD 3.28Å; C216-R222 WeakPolarHBondContact O-CD 3.35Å; C216-I224 HydrophobicContact CB-CD1 4.4Å; C216-I224 HydrophobicContact CB-CG1 4.43Å
217	N	75.1	Confident	87.9	Confident	68 Å²	68	40.2 Å²	40.2	36%	0.364	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	28.7	179.6	-158.7	43.1	0	0	0	114.5	V212 R213 D219	V212-N217 PolarHBondContact O-N 3.42Å; R213-N217 WeakPolarHBondContact O-CA 3.34Å; R213-N217 PolarHBondContact O-N 3.21Å; N217-D219 PolarHBondContact O-N 3.14Å
218	G	73	Confident	88.1	Confident	26 Å²	26	37.9 Å²	37.9	27%	0.268	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-4.4	-177.9	0	0	0	0	0	114.8	C216 Y220	C216-G218 PolarHBondContact O-N 2.75Å; C216-G218 VanDerWaalsContact O-N 3.14Å; G218-Y220 WeakPolarHBondContact O-CD1 3.34Å; G218-Y220 WeakPolarHBondContact O-CE1 3.37Å; G218-Y220 PolarHBondContact O-N 3.22Å
219	D	83.1	Confident	88.2	Confident	69 Å²	69	39.1 Å²	39.1	37%	0.369	20%	0.199	S	C	.	.			trans	-89.2	105.5	172.3	176.2	-3.1	0	0	0	109.2	C216 N217 D221 R222	C216-D219 WeakPolarHBondContact CB-O 3.49Å; C216-D219 PolarHBondContact O-N 2.95Å; C216-D219 PolarHBondContact SG-O 3.04Å; N217-D219 PolarHBondContact O-N 3.14Å; D219-D221 PolarHBondContact O-N 3.49Å; D219-D221 PolarHBondContact OD1-N 2.68Å; D219-D221 VanDerWaalsContact OD1-N 3.12Å; D219-R222 HydrophobicContact CB-CB 3.85Å; D219-R222 VanDerWaalsContact O-CB 3.26Å; D219-R222 WeakPolarHBondContact O-CB 3.39Å; D219-R222 PolarHBondContact O-N 3.28Å; D219-R222 PolarHBondContact OD1-N 3.37Å; D219-R222 IonicContact OD2-NE 2.69Å
220	Y	88.8	Confident	88.4	Confident	63 Å²	63	35.1 Å²	35.1	25%	0.247	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.9	-170.9	-65.3	-2.1	0	0	0	113.5	E153 V212 G218 Y247 R248	E153-Y220 PolarHBondContact OE1-OH 2.77Å; E153-Y220 PolarHBondContact OE2-OH 3.3Å; E153-Y220 VanDerWaalsContact OE2-OH 3.09Å; V212-Y220 HydrophobicContact CG1-CD1 4.05Å; V212-Y220 HydrophobicContact CG1-CE1 3.73Å; G218-Y220 WeakPolarHBondContact O-CD1 3.34Å; G218-Y220 WeakPolarHBondContact O-CE1 3.37Å; G218-Y220 PolarHBondContact O-N 3.22Å; Y220-Y247 AromaticContact CD1-CD1 3.57Å; Y220-Y247 HydrophobicContact CD1-CD1 3.57Å; Y220-Y247 AromaticContact CD1-CE1 3.93Å; Y220-Y247 HydrophobicContact CD1-CE1 3.93Å; Y220-Y247 HydrophobicContact CD2-CD1 4.02Å; Y220-Y247 HydrophobicContact CD2-CE1 4.02Å; Y220-Y247 HydrophobicContact CE1-CD1 4.1Å; Y220-Y247 HydrophobicContact CE1-CE1 4Å; Y220-Y247 HydrophobicContact CE2-CD1 4.46Å; Y220-Y247 HydrophobicContact CE2-CE1 4.04Å; Y220-Y247 AromaticContact CG-CD1 3.55Å; Y220-Y247 HydrophobicContact CG-CD1 3.55Å; Y220-Y247 AromaticContact CG-CE1 3.97Å; Y220-Y247 HydrophobicContact CG-CE1 3.97Å; Y220-Y247 PolarHBondContact O-N 2.91Å; Y220-R248 WeakPolarHBondContact O-CB 3.43Å; Y220-R248 PolarHBondContact O-N 2.97Å
221	D	89.6	Confident	88.7	Confident	94 Å²	94	39 Å²	39	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-4.7	-179.7	-65.2	-70.8	0	0	0	111.9	D219 R248	D219-D221 PolarHBondContact O-N 3.49Å; D219-D221 PolarHBondContact OD1-N 2.68Å; D219-D221 VanDerWaalsContact OD1-N 3.12Å; D221-R248 VanDerWaalsContact CG-NE 3.32Å; D221-R248 VanDerWaalsContact OD1-CD 3.24Å; D221-R248 WeakPolarHBondContact OD1-CD 3.48Å; D221-R248 IonicContact OD1-CZ 2.76Å; D221-R248 IonicContact OD1-NE 3.87Å; D221-R248 PolarHBondContact OD1-NE 3.35Å; D221-R248 IonicContact OD2-CZ 2.81Å; D221-R248 IonicContact OD2-NE 3.7Å; D221-R248 PolarHBondContact OD2-NE 3.39Å; D221-R248 IonicContact OD2-NH2 3.37Å; D221-R248 PolarHBondContact OD2-NH2 2.87Å
222	R	88	Confident	88.7	Confident	33 Å²	33	37.9 Å²	37.9	13%	0.125	19%	0.187	C	C	.	.	S	Bend	trans	-61.8	138.6	176.6	-174.3	174.7	-70	-145.1	4.3	111.8	S182 E184 C216 D219 I224	S182-R222 VanDerWaalsContact O-CD 3.32Å; S182-R222 WeakPolarHBondContact O-CD 3.5Å; S182-R222 PolarHBondContact O-NH1 2.79Å; S182-R222 WeakPolarHBondContact OG-CG 3.48Å; E184-R222 IonicContact OE1-NH2 3.86Å; C216-R222 HydrophobicContact CB-CB 4.18Å; C216-R222 VanDerWaalsContact O-CD 3.28Å; C216-R222 WeakPolarHBondContact O-CD 3.35Å; D219-R222 HydrophobicContact CB-CB 3.85Å; D219-R222 VanDerWaalsContact O-CB 3.26Å; D219-R222 WeakPolarHBondContact O-CB 3.39Å; D219-R222 PolarHBondContact O-N 3.28Å; D219-R222 PolarHBondContact OD1-N 3.37Å; D219-R222 IonicContact OD2-NE 2.69Å; R222-I224 PolarHBondContact O-N 3.21Å
223	S	91.6	Very high	88.4	Confident	42 Å²	42	49 Å²	49	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.5	-177.5	-169.7	0	0	0	0	111.8	S182	S182-S223 WeakPolarHBondContact CB-O 3.37Å; S182-S223 PolarHBondContact N-O 2.56Å; S182-S223 PolarHBondContact OG-O 3.38Å; S182-S223 VanDerWaalsContact OG-O 3.14Å
224	I	95.1	Very high	88.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118	171.9	-58.8	157.4	0	0	0	106.3	F179 Y180 L215 C216 R222 V226 S244 T245 M250	F179-I224 HydrophobicContact CD1-CG2 4.3Å; Y180-I224 CarbonylContact O-C 3.49Å; Y180-I224 WeakPolarHBondContact O-CA 3.4Å; L215-I224 HydrophobicContact CD1-CD1 3.88Å; L215-I224 HydrophobicContact CD1-CG1 4.28Å; L215-I224 HydrophobicContact CD1-CG2 4.04Å; L215-I224 HydrophobicContact CD2-CD1 3.92Å; L215-I224 HydrophobicContact CG-CD1 3.57Å; L215-I224 HydrophobicContact CG-CG1 4.22Å; C216-I224 HydrophobicContact CB-CD1 4.4Å; C216-I224 HydrophobicContact CB-CG1 4.43Å; R222-I224 PolarHBondContact O-N 3.21Å; I224-V226 HydrophobicContact CG2-CG2 4.35Å; I224-S244 CarbonylContact O-C 3.48Å; I224-S244 VanDerWaalsContact O-CA 3.29Å; I224-S244 WeakPolarHBondContact O-CA 3.28Å; I224-T245 HydrophobicContact CB-CG2 4.38Å; I224-T245 PolarHBondContact N-O 3.32Å; I224-T245 PolarHBondContact O-N 3.45Å; I224-M250 HydrophobicContact CD1-CE 3.51Å
225	K	96	Very high	87.8	Confident	31 Å²	31	49.1 Å²	49.1	14%	0.135	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.3	174.9	-179.5	-179.7	62.6	150.4	0	108.8	Y180 Y188 E227	Y180-K225 PolarHBondContact N-O 3.41Å; Y180-K225 PolarHBondContact O-N 3.25Å; Y188-K225 HydrophobicContact CD1-CB 4.08Å; Y188-K225 HydrophobicContact CE1-CB 3.69Å; K225-E227 HydrophobicContact CD-CG 4.48Å; K225-E227 WeakPolarHBondContact CE-OE1 3.41Å; K225-E227 HydrophobicContact CG-CG 4.48Å; K225-E227 IonicContact NZ-OE1 3.5Å; K225-E227 PolarHBondContact NZ-OE1 2.91Å
226	V	97.3	Very high	87.5	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.8	176.2	-172.3	0	0	0	0	108.5	L177 V178 F179 I224 E242 F243	L177-V226 HydrophobicContact CB-CG1 4.24Å; L177-V226 HydrophobicContact CD2-CG1 4.16Å; V178-V226 WeakPolarHBondContact O-CA 3.3Å; F179-V226 HydrophobicContact CD1-CG1 4.41Å; F179-V226 HydrophobicContact CD1-CG2 3.58Å; F179-V226 HydrophobicContact CE1-CG1 4.2Å; F179-V226 HydrophobicContact CE1-CG2 3.65Å; F179-V226 HydrophobicContact CE2-CG1 4.48Å; F179-V226 HydrophobicContact CG-CG2 4.36Å; F179-V226 HydrophobicContact CZ-CG1 4.22Å; F179-V226 HydrophobicContact CZ-CG2 4.46Å; I224-V226 HydrophobicContact CG2-CG2 4.35Å; V226-E242 CarbonylContact O-C 3.5Å; V226-E242 VanDerWaalsContact O-CA 3.23Å; V226-E242 WeakPolarHBondContact O-CA 3.31Å; V226-F243 HydrophobicContact CB-CD1 4.12Å; V226-F243 HydrophobicContact CB-CD2 4.25Å; V226-F243 HydrophobicContact CB-CE1 3.63Å; V226-F243 HydrophobicContact CB-CE2 3.79Å; V226-F243 HydrophobicContact CB-CG 4.42Å; V226-F243 HydrophobicContact CB-CZ 3.46Å; V226-F243 VanDerWaalsContact CB-CZ 3.46Å; V226-F243 HydrophobicContact CG1-CE1 3.67Å; V226-F243 HydrophobicContact CG1-CE2 4.43Å; V226-F243 HydrophobicContact CG1-CZ 3.62Å; V226-F243 HydrophobicContact CG2-CD2 4.41Å; V226-F243 HydrophobicContact CG2-CE1 4.43Å; V226-F243 HydrophobicContact CG2-CE2 3.73Å; V226-F243 HydrophobicContact CG2-CZ 3.75Å; V226-F243 PolarHBondContact N-O 2.88Å; V226-F243 PolarHBondContact O-N 3.44Å
227	E	97.5	Very high	87.7	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139	176.3	-64.6	177.1	168	0	0	109.7	L177 V178 Y180 K225 Y229 F239 E242	L177-E227 CarbonylContact C-O 3.39Å; L177-E227 WeakPolarHBondContact CA-O 3.24Å; V178-E227 PolarHBondContact N-O 3.13Å; V178-E227 PolarHBondContact O-N 2.96Å; Y180-E227 HydrophobicContact CD2-CG 4.25Å; Y180-E227 HydrophobicContact CE2-CB 4.03Å; Y180-E227 HydrophobicContact CE2-CG 3.7Å; Y180-E227 WeakPolarHBondContact CE2-OE2 3.17Å; Y180-E227 PolarHBondContact OH-OE2 2.77Å; K225-E227 HydrophobicContact CD-CG 4.48Å; K225-E227 WeakPolarHBondContact CE-OE1 3.41Å; K225-E227 HydrophobicContact CG-CG 4.48Å; K225-E227 IonicContact NZ-OE1 3.5Å; K225-E227 PolarHBondContact NZ-OE1 2.91Å; E227-Y229 HydrophobicContact CB-CD2 4.07Å; E227-Y229 HydrophobicContact CB-CE2 3.47Å; E227-Y229 VanDerWaalsContact CB-CE2 3.47Å; E227-Y229 HydrophobicContact CG-CE2 4.42Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.45Å; E227-Y229 PolarHBondContact OE2-OH 3.22Å; E227-F239 HydrophobicContact CB-CE2 4.08Å; E227-F239 HydrophobicContact CG-CE2 4.04Å; E227-E242 HydrophobicContact CG-CB 4.12Å
228	V	97.4	Very high	88.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.8	177.3	-166.2	0	0	0	0	107.9	L164 L177 I240 G241 V263 V282	L164-V228 HydrophobicContact CD1-CG1 4.06Å; L164-V228 HydrophobicContact CD2-CG1 4.4Å; L177-V228 HydrophobicContact CD2-CB 4.27Å; L177-V228 HydrophobicContact CD2-CG1 4.15Å; L177-V228 HydrophobicContact CD2-CG2 3.68Å; V228-I240 HydrophobicContact CB-CB 4.16Å; V228-I240 HydrophobicContact CB-CG2 4.45Å; V228-I240 HydrophobicContact CG1-CB 4.17Å; V228-I240 HydrophobicContact CG1-CD1 4.13Å; V228-I240 HydrophobicContact CG1-CG2 4.34Å; V228-I240 WeakPolarHBondContact O-CA 3.19Å; V228-I240 WeakPolarHBondContact O-CB 3.24Å; V228-I240 PolarHBondContact O-N 2.89Å; V228-G241 PolarHBondContact N-O 3.47Å; V228-G241 PolarHBondContact O-N 2.99Å; V228-V263 HydrophobicContact CB-CG1 4.3Å; V228-V263 HydrophobicContact CG2-CG1 3.86Å; V228-V263 HydrophobicContact CG2-CG2 4.03Å; V228-V282 HydrophobicContact CG2-CG2 4.14Å
229	Y	95.6	Very high	89.4	Confident	47 Å²	47	55.4 Å²	55.4	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.9	-178.6	-75.7	-85.6	0	0	0	111.1	P175 F176 V178 E227 H237 F239	P175-Y229 CarbonylContact C-O 3.47Å; P175-Y229 WeakPolarHBondContact CA-O 3.32Å; F176-Y229 HydrophobicContact CE1-CG 4.37Å; F176-Y229 HydrophobicContact CE2-CD2 4.28Å; F176-Y229 HydrophobicContact CE2-CG 4.4Å; F176-Y229 HydrophobicContact CZ-CD2 4.27Å; F176-Y229 AromaticContact CZ-CG 3.95Å; F176-Y229 HydrophobicContact CZ-CG 3.95Å; F176-Y229 PolarHBondContact N-O 3.46Å; F176-Y229 PolarHBondContact O-N 3.35Å; V178-Y229 HydrophobicContact CG2-CD2 3.86Å; V178-Y229 HydrophobicContact CG2-CE2 4.07Å; E227-Y229 HydrophobicContact CB-CD2 4.07Å; E227-Y229 HydrophobicContact CB-CE2 3.47Å; E227-Y229 VanDerWaalsContact CB-CE2 3.47Å; E227-Y229 HydrophobicContact CG-CE2 4.42Å; E227-Y229 WeakPolarHBondContact OE2-CE2 3.45Å; E227-Y229 PolarHBondContact OE2-OH 3.22Å; Y229-H237 HydrophobicContact CD1-CB 4.13Å; Y229-F239 HydrophobicContact CD1-CB 4.21Å; Y229-F239 HydrophobicContact CD1-CD2 4.33Å; Y229-F239 HydrophobicContact CE1-CB 3.9Å; Y229-F239 AromaticContact CE1-CD2 3.78Å; Y229-F239 HydrophobicContact CE1-CD2 3.78Å; Y229-F239 HydrophobicContact CE1-CG 4.35Å; Y229-F239 HydrophobicContact CE2-CD2 4.35Å; Y229-F239 AromaticContact CZ-CD2 3.79Å
230	D	93.4	Very high	90	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130	162.9	-158.5	-1.7	0	0	0	108.8	K167 S173 D174 H237 D238 I240	K167-D230 HydrophobicContact CB-CB 4.2Å; K167-D230 WeakPolarHBondContact CB-OD2 3.24Å; K167-D230 HydrophobicContact CG-CB 3.95Å; K167-D230 WeakPolarHBondContact CG-OD2 3.37Å; S173-D230 VanDerWaalsContact CA-OD1 3.25Å; S173-D230 WeakPolarHBondContact CA-OD1 2.94Å; S173-D230 WeakPolarHBondContact CA-OD2 3.45Å; S173-D230 VanDerWaalsContact CB-OD1 3.29Å; S173-D230 WeakPolarHBondContact CB-OD1 3.39Å; S173-D230 WeakPolarHBondContact CB-OD2 3.46Å; S173-D230 PolarHBondContact OG-OD2 3.27Å; D174-D230 WeakPolarHBondContact CA-OD1 3.28Å; D174-D230 PolarHBondContact N-OD1 3.09Å; D230-H237 CarbonylContact O-C 3.49Å; D230-H237 VanDerWaalsContact O-CA 3.3Å; D230-H237 WeakPolarHBondContact O-CA 3.5Å; D230-H237 WeakPolarHBondContact O-CB 3.22Å; D230-D238 HydrophobicContact CB-CB 3.82Å; D230-D238 WeakPolarHBondContact CB-O 3.2Å; D230-D238 PolarHBondContact N-O 3.17Å; D230-D238 PolarHBondContact O-N 2.73Å; D230-I240 HydrophobicContact CB-CD1 4.17Å; D230-I240 HydrophobicContact CB-CG1 4.31Å
231	W	93.3	Very high	90.3	Very high	86 Å²	86	49.1 Å²	49.1	33%	0.326	25%	0.254	S	S	.	.			trans	-80.9	136.3	179.8	-178.9	89.4	0	0	0	111	D174 F176 V196 R233 H237	D174-W231 HydrophobicContact CB-CB 4Å; D174-W231 WeakPolarHBondContact O-CB 3.48Å; D174-W231 PolarHBondContact O-N 3.05Å; F176-W231 HydrophobicContact CD1-CB 4.05Å; F176-W231 HydrophobicContact CE1-CB 4.02Å; V196-W231 HydrophobicContact CB-CB 4.44Å; V196-W231 HydrophobicContact CG1-CB 3.61Å; V196-W231 HydrophobicContact CG1-CG 4.04Å; V196-W231 HydrophobicContact CG2-CB 3.9Å; V196-W231 HydrophobicContact CG2-CG 3.9Å; W231-R233 HydrophobicContact CH2-CB 3.81Å; W231-R233 HydrophobicContact CH2-CG 3.98Å; W231-R233 HydrophobicContact CZ3-CB 4.14Å; W231-H237 AromaticContact CD1-CE1 3.16Å; W231-H237 AromaticContact CD1-ND1 3.78Å; W231-H237 AromaticContact CD1-NE2 3.67Å; W231-H237 AromaticContact CG-CE1 3.88Å; W231-H237 AromaticContact NE1-CE1 3.37Å; W231-H237 PolarHBondContact NE1-CE1 3.32Å; W231-H237 AromaticContact NE1-NE2 3.94Å
232	D	85.9	Confident	90.7	Very high	33 Å²	33	47.4 Å²	47.4	18%	0.176	24%	0.244	C	C	.	.			trans	-130.9	139	-178.4	-72.2	-62	0	0	0	109.3	D234 G235 H237 D238	D232-D234 WeakPolarHBondContact CB-OD1 3.26Å; D232-D234 PolarHBondContact O-N 2.76Å; D232-G235 PolarHBondContact O-N 3.38Å; D232-G235 VanDerWaalsContact O-N 3.16Å; D232-H237 PolarHBondContact N-ND1 3.07Å; D232-H237 PolarHBondContact O-CE1 2.67Å; D232-H237 PolarHBondContact O-ND1 3.31Å; D232-H237 WeakPolarHBondContact OD2-CA 3.38Å; D232-D238 PolarHBondContact OD2-N 2.87Å; D232-D238 VanDerWaalsContact OD2-N 3.08Å
233	R	78.2	Confident	91.1	Very high	232 Å²	232	46.5 Å²	46.5	88%	0.875	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.6	-173.5	-166	175.6	-170	-165.4	3.2	113.9	W231 G235	W231-R233 HydrophobicContact CH2-CB 3.81Å; W231-R233 HydrophobicContact CH2-CG 3.98Å; W231-R233 HydrophobicContact CZ3-CB 4.14Å; R233-G235 VanDerWaalsContact C-N 3.31Å
234	D	78.7	Confident	91.2	Very high	138 Å²	138	47.6 Å²	47.6	74%	0.738	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-2	180	66.5	-2.9	0	0	0	113.4	D232 G236	D232-D234 WeakPolarHBondContact CB-OD1 3.26Å; D232-D234 PolarHBondContact O-N 2.76Å; D234-G236 VanDerWaalsContact C-N 3.28Å; D234-G236 PolarHBondContact OD1-N 3.01Å
235	G	74.6	Confident	91.2	Very high	52 Å²	52	47.9 Å²	47.9	54%	0.536	25%	0.25	S	S	.	.	S	Bend	trans	82.5	-1.2	-177.4	0	0	0	0	0	114.3	D232 R233 H237	D232-G235 PolarHBondContact O-N 3.38Å; D232-G235 VanDerWaalsContact O-N 3.16Å; R233-G235 VanDerWaalsContact C-N 3.31Å; G235-H237 PolarHBondContact O-N 2.95Å; G235-H237 VanDerWaalsContact O-N 3.11Å
236	G	81.2	Confident	91	Very high	50 Å²	50	46.8 Å²	46.8	52%	0.515	25%	0.246	S	C	.	.			trans	-82.7	38	179.6	0	0	0	0	0	114.5	D234 D238	D234-G236 VanDerWaalsContact C-N 3.28Å; D234-G236 PolarHBondContact OD1-N 3.01Å; G236-D238 PolarHBondContact O-N 2.77Å
237	H	87.7	Confident	90.7	Very high	64 Å²	64	47.1 Å²	47.1	30%	0.296	25%	0.247	S	C	.	.			trans	-42.4	124.6	-169	-58.1	-30.8	0	0	0	114.4	F176 Y229 D230 W231 D232 G235 F239	F176-H237 HydrophobicContact CE1-CB 4.29Å; F176-H237 HydrophobicContact CZ-CB 4.24Å; F176-H237 AromaticContact CZ-CD2 3.73Å; Y229-H237 HydrophobicContact CD1-CB 4.13Å; D230-H237 CarbonylContact O-C 3.49Å; D230-H237 VanDerWaalsContact O-CA 3.3Å; D230-H237 WeakPolarHBondContact O-CA 3.5Å; D230-H237 WeakPolarHBondContact O-CB 3.22Å; W231-H237 AromaticContact CD1-CE1 3.16Å; W231-H237 AromaticContact CD1-ND1 3.78Å; W231-H237 AromaticContact CD1-NE2 3.67Å; W231-H237 AromaticContact CG-CE1 3.88Å; W231-H237 AromaticContact NE1-CE1 3.37Å; W231-H237 PolarHBondContact NE1-CE1 3.32Å; W231-H237 AromaticContact NE1-NE2 3.94Å; D232-H237 PolarHBondContact N-ND1 3.07Å; D232-H237 PolarHBondContact O-CE1 2.67Å; D232-H237 PolarHBondContact O-ND1 3.31Å; D232-H237 WeakPolarHBondContact OD2-CA 3.38Å; G235-H237 PolarHBondContact O-N 2.95Å; G235-H237 VanDerWaalsContact O-N 3.11Å; H237-F239 PolarHBondContact O-N 2.87Å
238	D	90.1	Very high	90.3	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.374	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	115.5	-172	-117.8	-18.4	0	0	0	112.7	K167 D230 D232 G236 I240	K167-D238 HydrophobicContact CB-CB 4.01Å; K167-D238 WeakPolarHBondContact CB-OD2 3.39Å; K167-D238 HydrophobicContact CG-CB 4.1Å; D230-D238 HydrophobicContact CB-CB 3.82Å; D230-D238 WeakPolarHBondContact CB-O 3.2Å; D230-D238 PolarHBondContact N-O 3.17Å; D230-D238 PolarHBondContact O-N 2.73Å; D232-D238 PolarHBondContact OD2-N 2.87Å; D232-D238 VanDerWaalsContact OD2-N 3.08Å; G236-D238 PolarHBondContact O-N 2.77Å; D238-I240 PolarHBondContact O-N 3.16Å
239	F	94.6	Very high	89.9	Confident	42 Å²	42	54.8 Å²	54.8	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	118.2	-178.7	-179.9	-103.6	0	0	0	112.5	K167 E227 Y229 H237 G241 E242 N265	K167-F239 WeakPolarHBondContact CE-O 3.41Å; K167-F239 PolarHBondContact NZ-O 2.82Å; E227-F239 HydrophobicContact CB-CE2 4.08Å; E227-F239 HydrophobicContact CG-CE2 4.04Å; Y229-F239 HydrophobicContact CD1-CB 4.21Å; Y229-F239 HydrophobicContact CD1-CD2 4.33Å; Y229-F239 HydrophobicContact CE1-CB 3.9Å; Y229-F239 AromaticContact CE1-CD2 3.78Å; Y229-F239 HydrophobicContact CE1-CD2 3.78Å; Y229-F239 HydrophobicContact CE1-CG 4.35Å; Y229-F239 HydrophobicContact CE2-CD2 4.35Å; Y229-F239 AromaticContact CZ-CD2 3.79Å; H237-F239 PolarHBondContact O-N 2.87Å; F239-G241 VanDerWaalsContact CE1-CA 3.49Å; F239-G241 WeakPolarHBondContact CE2-O 3.42Å; F239-G241 VanDerWaalsContact CZ-CA 3.43Å; F239-E242 HydrophobicContact CE2-CB 4.28Å; F239-E242 HydrophobicContact CZ-CB 3.89Å; F239-E242 HydrophobicContact CZ-CG 4.11Å; F239-N265 PolarHBondContact O-ND2 3.36Å
240	I	95.1	Very high	89.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-55.3	176.6	-65.8	172.9	0	0	0	109.6	D165 K167 P175 V228 D230 D238 V263 N265 S279	D165-I240 HydrophobicContact CB-CG2 4.26Å; K167-I240 HydrophobicContact CD-CG1 4.47Å; K167-I240 HydrophobicContact CG-CG1 4.04Å; P175-I240 HydrophobicContact CB-CD1 4.34Å; V228-I240 HydrophobicContact CB-CB 4.16Å; V228-I240 HydrophobicContact CB-CG2 4.45Å; V228-I240 HydrophobicContact CG1-CB 4.17Å; V228-I240 HydrophobicContact CG1-CD1 4.13Å; V228-I240 HydrophobicContact CG1-CG2 4.34Å; V228-I240 WeakPolarHBondContact O-CA 3.19Å; V228-I240 WeakPolarHBondContact O-CB 3.24Å; V228-I240 PolarHBondContact O-N 2.89Å; D230-I240 HydrophobicContact CB-CD1 4.17Å; D230-I240 HydrophobicContact CB-CG1 4.31Å; D238-I240 PolarHBondContact O-N 3.16Å; I240-V263 HydrophobicContact CG2-CG1 4.36Å; I240-N265 WeakPolarHBondContact O-CB 3.45Å; I240-N265 PolarHBondContact O-ND2 3.42Å; I240-S279 PolarHBondContact O-OG 2.91Å
241	G	96.3	Very high	89.1	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-174.9	177.2	0	0	0	0	0	112.4	V228 F239 L264	V228-G241 PolarHBondContact N-O 3.47Å; V228-G241 PolarHBondContact O-N 2.99Å; F239-G241 VanDerWaalsContact CE1-CA 3.49Å; F239-G241 WeakPolarHBondContact CE2-O 3.42Å; F239-G241 VanDerWaalsContact CZ-CA 3.43Å; G241-L264 CarbonylContact C-O 3.51Å; G241-L264 VanDerWaalsContact CA-O 3.3Å; G241-L264 WeakPolarHBondContact CA-O 3.45Å
242	E	97.1	Very high	88.4	Confident	59 Å²	59	58.4 Å²	58.4	28%	0.276	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.2	-178.1	64.7	-175.1	-177.1	0	0	111.6	V226 E227 F239 L264 P266	V226-E242 CarbonylContact O-C 3.5Å; V226-E242 VanDerWaalsContact O-CA 3.23Å; V226-E242 WeakPolarHBondContact O-CA 3.31Å; E227-E242 HydrophobicContact CG-CB 4.12Å; F239-E242 HydrophobicContact CE2-CB 4.28Å; F239-E242 HydrophobicContact CZ-CB 3.89Å; F239-E242 HydrophobicContact CZ-CG 4.11Å; E242-L264 PolarHBondContact N-O 2.95Å; E242-L264 PolarHBondContact O-N 2.88Å; E242-P266 WeakPolarHBondContact OE1-CG 3.48Å
243	F	96	Very high	87.2	Confident	14 Å²	14	58 Å²	58	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	165.6	165.3	64.9	-87.9	0	0	0	109.8	V226 F261 V263 V282	V226-F243 HydrophobicContact CB-CD1 4.12Å; V226-F243 HydrophobicContact CB-CD2 4.25Å; V226-F243 HydrophobicContact CB-CE1 3.63Å; V226-F243 HydrophobicContact CB-CE2 3.79Å; V226-F243 HydrophobicContact CB-CG 4.42Å; V226-F243 HydrophobicContact CB-CZ 3.46Å; V226-F243 VanDerWaalsContact CB-CZ 3.46Å; V226-F243 HydrophobicContact CG1-CE1 3.67Å; V226-F243 HydrophobicContact CG1-CE2 4.43Å; V226-F243 HydrophobicContact CG1-CZ 3.62Å; V226-F243 HydrophobicContact CG2-CD2 4.41Å; V226-F243 HydrophobicContact CG2-CE1 4.43Å; V226-F243 HydrophobicContact CG2-CE2 3.73Å; V226-F243 HydrophobicContact CG2-CZ 3.75Å; V226-F243 PolarHBondContact N-O 2.88Å; V226-F243 PolarHBondContact O-N 3.44Å; F243-F261 HydrophobicContact CB-CB 4.18Å; F243-F261 HydrophobicContact CD1-CB 4.11Å; F243-F261 HydrophobicContact CD2-CB 3.51Å; F243-F261 AromaticContact CD2-CD1 3.65Å; F243-F261 HydrophobicContact CD2-CD1 3.65Å; F243-F261 HydrophobicContact CD2-CD2 4.06Å; F243-F261 HydrophobicContact CD2-CE1 4.35Å; F243-F261 AromaticContact CD2-CG 3.47Å; F243-F261 HydrophobicContact CD2-CG 3.47Å; F243-F261 VanDerWaalsContact CD2-CG 3.47Å; F243-F261 HydrophobicContact CE1-CB 4.37Å; F243-F261 HydrophobicContact CE2-CB 3.79Å; F243-F261 AromaticContact CE2-CD1 3.91Å; F243-F261 HydrophobicContact CE2-CD1 3.91Å; F243-F261 AromaticContact CE2-CD2 3.54Å; F243-F261 HydrophobicContact CE2-CD2 3.54Å; F243-F261 HydrophobicContact CE2-CE1 4.35Å; F243-F261 HydrophobicContact CE2-CE2 4.03Å; F243-F261 AromaticContact CE2-CG 3.47Å; F243-F261 HydrophobicContact CE2-CG 3.47Å; F243-F261 VanDerWaalsContact CE2-CG 3.47Å; F243-F261 HydrophobicContact CE2-CZ 4.41Å; F243-F261 HydrophobicContact CG-CB 3.68Å; F243-F261 HydrophobicContact CG-CG 4.18Å; F243-F261 HydrophobicContact CZ-CB 4.21Å; F243-F261 AromaticContact CZ-CD2 4Å; F243-F261 HydrophobicContact CZ-CD2 4Å; F243-F261 HydrophobicContact CZ-CG 4.17Å; F243-V263 HydrophobicContact CD1-CG2 4.41Å; F243-V282 HydrophobicContact CE1-CB 3.76Å; F243-V282 HydrophobicContact CE1-CG1 3.93Å; F243-V282 HydrophobicContact CE1-CG2 4.03Å; F243-V282 HydrophobicContact CZ-CB 4.13Å; F243-V282 HydrophobicContact CZ-CG1 3.87Å
244	S	94.7	Very high	86.2	Confident	65 Å²	65	52.4 Å²	52.4	46%	0.455	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.8	174.6	-60.5	0	0	0	0	110.4	I224	I224-S244 CarbonylContact O-C 3.48Å; I224-S244 VanDerWaalsContact O-CA 3.29Å; I224-S244 WeakPolarHBondContact O-CA 3.28Å
245	T	93.9	Very high	85	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.037	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-172.4	173	-167.6	0	0	0	0	110.5	I224 E249 M250 F261	I224-T245 HydrophobicContact CB-CG2 4.38Å; I224-T245 PolarHBondContact N-O 3.32Å; I224-T245 PolarHBondContact O-N 3.45Å; T245-E249 VanDerWaalsContact CA-OE2 3.31Å; T245-E249 WeakPolarHBondContact CA-OE2 3.47Å; T245-E249 PolarHBondContact OG1-OE2 3.15Å; T245-M250 HydrophobicContact CG2-CE 4.26Å; T245-M250 HydrophobicContact CG2-CG 3.89Å; T245-M250 HydrophobicContact CG2-SD 3.83Å; T245-F261 VanDerWaalsContact CB-CE1 3.5Å; T245-F261 HydrophobicContact CG2-CE1 4.29Å; T245-F261 HydrophobicContact CG2-CZ 4.18Å; T245-F261 WeakPolarHBondContact OG1-CE1 3.23Å
246	S	93.3	Very high	83.8	Confident	8 Å²	8	62.2 Å²	62.2	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.4	170.4	70.4	0	0	0	0	110.5	R248 E249 M250	S246-R248 VanDerWaalsContact C-N 3.27Å; S246-R248 PolarHBondContact O-N 3.34Å; S246-E249 PolarHBondContact N-OE2 3.4Å; S246-E249 PolarHBondContact O-N 3Å; S246-E249 WeakPolarHBondContact OG-CG 3.46Å; S246-E249 PolarHBondContact OG-N 3.3Å; S246-M250 WeakPolarHBondContact O-CG 3.43Å; S246-M250 PolarHBondContact O-N 2.99Å
247	Y	90	Very high	82.7	Confident	8 Å²	8	64.2 Å²	64.2	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-43.4	175.7	175.7	-110.5	0	0	0	111.4	E153 V155 V212 L215 Y220 E249 M250 C251 V289	E153-Y247 VanDerWaalsContact OE2-CE1 3.3Å; E153-Y247 WeakPolarHBondContact OE2-CE1 3.49Å; E153-Y247 VanDerWaalsContact OE2-CZ 3.28Å; E153-Y247 PolarHBondContact OE2-OH 3.5Å; V155-Y247 HydrophobicContact CB-CE2 4.04Å; V155-Y247 HydrophobicContact CG1-CE2 4.26Å; V155-Y247 HydrophobicContact CG2-CE2 4.32Å; V212-Y247 HydrophobicContact CG1-CD1 4.19Å; V212-Y247 HydrophobicContact CG1-CD2 4.35Å; V212-Y247 HydrophobicContact CG1-CE1 4.23Å; V212-Y247 HydrophobicContact CG1-CE2 4.43Å; V212-Y247 HydrophobicContact CG1-CG 4.23Å; V212-Y247 HydrophobicContact CG2-CD2 3.99Å; V212-Y247 HydrophobicContact CG2-CE1 4.33Å; V212-Y247 HydrophobicContact CG2-CE2 3.47Å; V212-Y247 VanDerWaalsContact CG2-CE2 3.47Å; L215-Y247 HydrophobicContact CD2-CD2 4.3Å; Y220-Y247 AromaticContact CD1-CD1 3.57Å; Y220-Y247 HydrophobicContact CD1-CD1 3.57Å; Y220-Y247 AromaticContact CD1-CE1 3.93Å; Y220-Y247 HydrophobicContact CD1-CE1 3.93Å; Y220-Y247 HydrophobicContact CD2-CD1 4.02Å; Y220-Y247 HydrophobicContact CD2-CE1 4.02Å; Y220-Y247 HydrophobicContact CE1-CD1 4.1Å; Y220-Y247 HydrophobicContact CE1-CE1 4Å; Y220-Y247 HydrophobicContact CE2-CD1 4.46Å; Y220-Y247 HydrophobicContact CE2-CE1 4.04Å; Y220-Y247 AromaticContact CG-CD1 3.55Å; Y220-Y247 HydrophobicContact CG-CD1 3.55Å; Y220-Y247 AromaticContact CG-CE1 3.97Å; Y220-Y247 HydrophobicContact CG-CE1 3.97Å; Y220-Y247 PolarHBondContact O-N 2.91Å; Y247-E249 VanDerWaalsContact C-N 3.34Å; Y247-E249 PolarHBondContact O-N 3.35Å; Y247-M250 PolarHBondContact O-N 3.42Å; Y247-C251 WeakPolarHBondContact CE2-SG 3.12Å; Y247-C251 PolarHBondContact O-N 3.49Å; Y247-C251 PolarHBondContact O-SG 3.04Å; Y247-C251 VanDerWaalsContact O-SG 3.36Å; Y247-V289 HydrophobicContact CE2-CG2 4.47Å; Y247-V289 VanDerWaalsContact OH-CG1 3.24Å; Y247-V289 WeakPolarHBondContact OH-CG1 3.45Å; Y247-V289 WeakPolarHBondContact OH-CG2 3.29Å
248	R	89.4	Confident	81.7	Confident	94 Å²	94	68 Å²	68	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-40.5	177.5	-170.8	-179.3	-58.1	-78.6	2.1	112.8	Y220 D221 S246 R252	Y220-R248 WeakPolarHBondContact O-CB 3.43Å; Y220-R248 PolarHBondContact O-N 2.97Å; D221-R248 VanDerWaalsContact CG-NE 3.32Å; D221-R248 VanDerWaalsContact OD1-CD 3.24Å; D221-R248 WeakPolarHBondContact OD1-CD 3.48Å; D221-R248 IonicContact OD1-CZ 2.76Å; D221-R248 IonicContact OD1-NE 3.87Å; D221-R248 PolarHBondContact OD1-NE 3.35Å; D221-R248 IonicContact OD2-CZ 2.81Å; D221-R248 IonicContact OD2-NE 3.7Å; D221-R248 PolarHBondContact OD2-NE 3.39Å; D221-R248 IonicContact OD2-NH2 3.37Å; D221-R248 PolarHBondContact OD2-NH2 2.87Å; S246-R248 VanDerWaalsContact C-N 3.27Å; S246-R248 PolarHBondContact O-N 3.34Å; R248-R252 VanDerWaalsContact O-CG 3.3Å; R248-R252 WeakPolarHBondContact O-CG 3.35Å; R248-R252 PolarHBondContact O-N 3.01Å; R248-R252 VanDerWaalsContact O-N 3.09Å
249	E	89.1	Confident	81.2	Confident	83 Å²	83	68.9 Å²	68.9	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-46	176.2	-76.3	176.8	175.8	0	0	111.7	T245 S246 Y247 C251 R252	T245-E249 VanDerWaalsContact CA-OE2 3.31Å; T245-E249 WeakPolarHBondContact CA-OE2 3.47Å; T245-E249 PolarHBondContact OG1-OE2 3.15Å; S246-E249 PolarHBondContact N-OE2 3.4Å; S246-E249 PolarHBondContact O-N 3Å; S246-E249 WeakPolarHBondContact OG-CG 3.46Å; S246-E249 PolarHBondContact OG-N 3.3Å; Y247-E249 VanDerWaalsContact C-N 3.34Å; Y247-E249 PolarHBondContact O-N 3.35Å; E249-C251 VanDerWaalsContact C-N 3.35Å; E249-C251 PolarHBondContact O-N 3.04Å; E249-R252 PolarHBondContact O-N 2.91Å
250	M	89.3	Confident	80.9	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-42.5	177	-69	-171.2	-67.6	0	0	111.7	L157 F159 L215 I224 T245 S246 Y247 S253 F261 L284	L157-M250 HydrophobicContact CD1-SD 4.34Å; L157-M250 HydrophobicContact CD2-SD 4.37Å; F159-M250 HydrophobicContact CZ-SD 4.19Å; L215-M250 HydrophobicContact CD2-CE 3.86Å; I224-M250 HydrophobicContact CD1-CE 3.51Å; T245-M250 HydrophobicContact CG2-CE 4.26Å; T245-M250 HydrophobicContact CG2-CG 3.89Å; T245-M250 HydrophobicContact CG2-SD 3.83Å; S246-M250 WeakPolarHBondContact O-CG 3.43Å; S246-M250 PolarHBondContact O-N 2.99Å; Y247-M250 PolarHBondContact O-N 3.42Å; M250-S253 WeakPolarHBondContact O-CB 3.17Å; M250-S253 PolarHBondContact O-N 3.32Å; M250-S253 PolarHBondContact O-OG 3.38Å; M250-F261 HydrophobicContact CG-CZ 4.48Å; M250-L284 HydrophobicContact CB-CD2 3.81Å; M250-L284 HydrophobicContact CG-CD2 3.99Å
251	C	83.4	Confident	80.9	Confident	28 Å²	28	70.2 Å²	70.2	19%	0.189	34%	0.339	C	S	.	.	H	α-helix	trans	-73.1	-27.7	-179.5	-68.1	0	0	0	0	114.2	Y247 E249 S253 Q254 V289	Y247-C251 WeakPolarHBondContact CE2-SG 3.12Å; Y247-C251 PolarHBondContact O-N 3.49Å; Y247-C251 PolarHBondContact O-SG 3.04Å; Y247-C251 VanDerWaalsContact O-SG 3.36Å; E249-C251 VanDerWaalsContact C-N 3.35Å; E249-C251 PolarHBondContact O-N 3.04Å; C251-S253 PolarHBondContact O-N 3.14Å; C251-Q254 PolarHBondContact O-N 2.95Å; C251-V289 VanDerWaalsContact SG-CG2 3.53Å
252	R	77.1	Confident	80.8	Confident	179 Å²	179	75.6 Å²	75.6	68%	0.675	36%	0.364	S	S	*	.	H	α-helix	trans	-62.9	-21.9	174.9	-81.2	173.7	178.6	171.7	2.3	112.9	R248 E249 Q254	R248-R252 VanDerWaalsContact O-CG 3.3Å; R248-R252 WeakPolarHBondContact O-CG 3.35Å; R248-R252 PolarHBondContact O-N 3.01Å; R248-R252 VanDerWaalsContact O-N 3.09Å; E249-R252 PolarHBondContact O-N 2.91Å; R252-Q254 PolarHBondContact O-N 2.63Å
253	S	61.7	Low	80.7	Confident	24 Å²	24	72.8 Å²	72.8	17%	0.168	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-65.1	-16.3	-177.6	71.6	0	0	0	0	114.8	M250 C251 R255	M250-S253 WeakPolarHBondContact O-CB 3.17Å; M250-S253 PolarHBondContact O-N 3.32Å; M250-S253 PolarHBondContact O-OG 3.38Å; C251-S253 PolarHBondContact O-N 3.14Å; S253-R255 PolarHBondContact O-N 3.4Å
254	Q	55.9	Low	80.7	Confident	116 Å²	116	74.7 Å²	74.7	54%	0.542	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-64.7	-10.7	-179.3	-72.1	-172.3	-15.3	0	0	114.9	C251 R252 C287	C251-Q254 PolarHBondContact O-N 2.95Å; R252-Q254 PolarHBondContact O-N 2.63Å; Q254-C287 PolarHBondContact NE2-O 3Å
255	R	54.5	Low	80.7	Confident	226 Å²	226	72 Å²	72	85%	0.853	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-104.7	14.6	-167.5	-82.2	-173.8	-177.7	164	2.1	117.5	S253	S253-R255 PolarHBondContact O-N 3.4Å
256	N	49.4	Very low	80.5	Confident	170 Å²	170	74.8 Å²	74.8	91%	0.909	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	140.1	25.7	160.8	-71.4	-32.5	0	0	0	116.6
257	S	57.9	Low	80.3	Confident	91 Å²	91	82.2 Å²	82.2	64%	0.636	39%	0.392	S	S	*	.			trans	-159.2	137	167.5	-175.9	0	0	0	0	111.8	F259	S257-F259 PolarHBondContact O-N 3.18Å
258	F	67.3	Low	80.2	Confident	145 Å²	145	84.2 Å²	84.2	64%	0.636	40%	0.4	S	S	*	.			trans	-55.6	130.4	162.9	-60.4	-72.3	0	0	0	109	T283 L285	F258-T283 HydrophobicContact CB-CG2 3.72Å; F258-L285 HydrophobicContact CD1-CD2 4.41Å; F258-L285 HydrophobicContact CE1-CD2 4.47Å
259	F	79	Confident	80.1	Confident	87 Å²	87	85.4 Å²	85.4	38%	0.382	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.4	-180	-158.5	-88.3	0	0	0	109	S257 F261 T283 L284	S257-F259 PolarHBondContact O-N 3.18Å; F259-F261 AromaticContact CD1-CD1 3.91Å; F259-F261 HydrophobicContact CD1-CD1 3.91Å; F259-F261 HydrophobicContact CD1-CD2 4.35Å; F259-F261 AromaticContact CD1-CE1 3.4Å; F259-F261 HydrophobicContact CD1-CE1 3.4Å; F259-F261 AromaticContact CD1-CE2 3.88Å; F259-F261 HydrophobicContact CD1-CE2 3.88Å; F259-F261 HydrophobicContact CD1-CG 4.37Å; F259-F261 AromaticContact CD1-CZ 3.38Å; F259-F261 HydrophobicContact CD1-CZ 3.38Å; F259-F261 AromaticContact CE1-CD1 3.72Å; F259-F261 HydrophobicContact CE1-CD1 3.72Å; F259-F261 AromaticContact CE1-CE1 3.28Å; F259-F261 HydrophobicContact CE1-CE1 3.28Å; F259-F261 AromaticContact CE1-CZ 3.78Å; F259-F261 HydrophobicContact CE1-CZ 3.78Å; F259-F261 HydrophobicContact CG-CZ 4.47Å; F259-T283 WeakPolarHBondContact O-CA 3.27Å; F259-L284 PolarHBondContact O-N 3.3Å
260	S	88.9	Confident	79.8	Confident	59 Å²	59	84 Å²	84	41%	0.413	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	-177.9	-155.7	0	0	0	0	110.2	T281 V282 T283	S260-T281 WeakPolarHBondContact OG-CB 3.48Å; S260-T281 PolarHBondContact OG-OG1 3.03Å; S260-V282 CarbonylContact C-O 3.47Å; S260-T283 PolarHBondContact OG-OG1 3.39Å
261	F	93.6	Very high	79.6	Confident	12 Å²	12	92.7 Å²	92.7	5%	0.053	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.3	177.1	-56	-81.6	0	0	0	109.5	F159 F243 T245 M250 F259 V263 T281 V282 L284	F159-F261 HydrophobicContact CE1-CE2 4.26Å; F243-F261 HydrophobicContact CB-CB 4.18Å; F243-F261 HydrophobicContact CD1-CB 4.11Å; F243-F261 HydrophobicContact CD2-CB 3.51Å; F243-F261 AromaticContact CD2-CD1 3.65Å; F243-F261 HydrophobicContact CD2-CD1 3.65Å; F243-F261 HydrophobicContact CD2-CD2 4.06Å; F243-F261 HydrophobicContact CD2-CE1 4.35Å; F243-F261 AromaticContact CD2-CG 3.47Å; F243-F261 HydrophobicContact CD2-CG 3.47Å; F243-F261 VanDerWaalsContact CD2-CG 3.47Å; F243-F261 HydrophobicContact CE1-CB 4.37Å; F243-F261 HydrophobicContact CE2-CB 3.79Å; F243-F261 AromaticContact CE2-CD1 3.91Å; F243-F261 HydrophobicContact CE2-CD1 3.91Å; F243-F261 AromaticContact CE2-CD2 3.54Å; F243-F261 HydrophobicContact CE2-CD2 3.54Å; F243-F261 HydrophobicContact CE2-CE1 4.35Å; F243-F261 HydrophobicContact CE2-CE2 4.03Å; F243-F261 AromaticContact CE2-CG 3.47Å; F243-F261 HydrophobicContact CE2-CG 3.47Å; F243-F261 VanDerWaalsContact CE2-CG 3.47Å; F243-F261 HydrophobicContact CE2-CZ 4.41Å; F243-F261 HydrophobicContact CG-CB 3.68Å; F243-F261 HydrophobicContact CG-CG 4.18Å; F243-F261 HydrophobicContact CZ-CB 4.21Å; F243-F261 AromaticContact CZ-CD2 4Å; F243-F261 HydrophobicContact CZ-CD2 4Å; F243-F261 HydrophobicContact CZ-CG 4.17Å; T245-F261 VanDerWaalsContact CB-CE1 3.5Å; T245-F261 HydrophobicContact CG2-CE1 4.29Å; T245-F261 HydrophobicContact CG2-CZ 4.18Å; T245-F261 WeakPolarHBondContact OG1-CE1 3.23Å; M250-F261 HydrophobicContact CG-CZ 4.48Å; F259-F261 AromaticContact CD1-CD1 3.91Å; F259-F261 HydrophobicContact CD1-CD1 3.91Å; F259-F261 HydrophobicContact CD1-CD2 4.35Å; F259-F261 AromaticContact CD1-CE1 3.4Å; F259-F261 HydrophobicContact CD1-CE1 3.4Å; F259-F261 AromaticContact CD1-CE2 3.88Å; F259-F261 HydrophobicContact CD1-CE2 3.88Å; F259-F261 HydrophobicContact CD1-CG 4.37Å; F259-F261 AromaticContact CD1-CZ 3.38Å; F259-F261 HydrophobicContact CD1-CZ 3.38Å; F259-F261 AromaticContact CE1-CD1 3.72Å; F259-F261 HydrophobicContact CE1-CD1 3.72Å; F259-F261 AromaticContact CE1-CE1 3.28Å; F259-F261 HydrophobicContact CE1-CE1 3.28Å; F259-F261 AromaticContact CE1-CZ 3.78Å; F259-F261 HydrophobicContact CE1-CZ 3.78Å; F259-F261 HydrophobicContact CG-CZ 4.47Å; F261-V263 PolarHBondContact O-N 3.09Å; F261-T281 CarbonylContact O-C 3.58Å; F261-T281 VanDerWaalsContact O-CA 3.22Å; F261-T281 WeakPolarHBondContact O-CA 2.96Å; F261-T281 WeakPolarHBondContact O-CB 3.49Å; F261-V282 WeakPolarHBondContact CD2-O 3.45Å; F261-V282 PolarHBondContact N-O 2.87Å; F261-V282 PolarHBondContact O-N 3.28Å; F261-L284 HydrophobicContact CE2-CB 4.25Å
262	E	94.8	Very high	79.6	Confident	112 Å²	112	97.4 Å²	97.4	52%	0.523	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126	171	-63	-162.8	126	0	0	110.3	L264 N278	E262-L264 HydrophobicContact CB-CD2 4.33Å; E262-L264 PolarHBondContact O-N 3.4Å; E262-N278 HydrophobicContact CB-CB 4.19Å; E262-N278 PolarHBondContact OE1-ND2 3.34Å
263	V	95.9	Very high	79.7	Confident	0 Å²	0	96.7 Å²	96.7	0%	0	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-83	116.4	178.2	-179.2	0	0	0	0	108.8	L164 V228 I240 F243 F261 Y276 N278 S279 G280 V282	L164-V263 HydrophobicContact CD2-CG2 4.21Å; V228-V263 HydrophobicContact CB-CG1 4.3Å; V228-V263 HydrophobicContact CG2-CG1 3.86Å; V228-V263 HydrophobicContact CG2-CG2 4.03Å; I240-V263 HydrophobicContact CG2-CG1 4.36Å; F243-V263 HydrophobicContact CD1-CG2 4.41Å; F261-V263 PolarHBondContact O-N 3.09Å; V263-Y276 PolarHBondContact O-OH 2.8Å; V263-N278 WeakPolarHBondContact O-CB 3.41Å; V263-S279 PolarHBondContact O-N 2.73Å; V263-G280 WeakPolarHBondContact CB-O 3.29Å; V263-G280 PolarHBondContact N-O 3.01Å; V263-V282 HydrophobicContact CG2-CB 4.32Å; V263-V282 HydrophobicContact CG2-CG2 3.67Å
264	L	95.3	Very high	80.4	Confident	54 Å²	54	105.8 Å²	105.8	28%	0.283	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-108.8	129	-174.6	-59.8	-177.2	0	0	0	111.4	G241 E242 E262 P266 Y276 N278	G241-L264 CarbonylContact C-O 3.51Å; G241-L264 VanDerWaalsContact CA-O 3.3Å; G241-L264 WeakPolarHBondContact CA-O 3.45Å; E242-L264 PolarHBondContact N-O 2.95Å; E242-L264 PolarHBondContact O-N 2.88Å; E262-L264 HydrophobicContact CB-CD2 4.33Å; E262-L264 PolarHBondContact O-N 3.4Å; L264-P266 WeakPolarHBondContact O-CD 3.38Å; L264-Y276 WeakPolarHBondContact CA-OH 3.26Å; L264-Y276 HydrophobicContact CD2-CE1 4.18Å; L264-N278 HydrophobicContact CD2-CB 4.26Å
265	N	94.2	Very high	81.7	Confident	8 Å²	8	109.7 Å²	109.7	4%	0.043	53%	0.525	C	S	.	.			trans	-102.7	110.3	173.6	-173.2	-58.1	0	0	0	109.5	F239 I240 K267 K268 K269 Y276 S279	F239-N265 PolarHBondContact O-ND2 3.36Å; I240-N265 WeakPolarHBondContact O-CB 3.45Å; I240-N265 PolarHBondContact O-ND2 3.42Å; N265-K267 VanDerWaalsContact C-N 3.27Å; N265-K267 PolarHBondContact O-N 2.93Å; N265-K267 WeakPolarHBondContact OD1-CB 3.33Å; N265-K267 PolarHBondContact OD1-N 3.33Å; N265-K267 VanDerWaalsContact OD1-N 3.11Å; N265-K268 HydrophobicContact CB-CB 4Å; N265-K268 HydrophobicContact CB-CD 4.11Å; N265-K268 HydrophobicContact CB-CG 4.07Å; N265-K268 PolarHBondContact O-N 3.25Å; N265-K268 VanDerWaalsContact O-N 3.13Å; N265-K268 PolarHBondContact OD1-N 3.11Å; N265-K269 WeakPolarHBondContact O-CB 3.39Å; N265-K269 PolarHBondContact O-N 3.49Å; N265-Y276 PolarHBondContact N-OH 2.6Å; N265-S279 WeakPolarHBondContact CB-OG 3.48Å
266	P	90.6	Very high	83.3	Confident	66 Å²	66	100.3 Å²	100.3	43%	0.429	49%	0.489	S	S	.	.	H	α-helix	trans	-58	-37.6	-176.7	-26.7	35.8	0	0	0	113.1	E242 L264 K269 G270	E242-P266 WeakPolarHBondContact OE1-CG 3.48Å; L264-P266 WeakPolarHBondContact O-CD 3.38Å; P266-K269 PolarHBondContact O-N 3.02Å; P266-G270 PolarHBondContact O-N 3.41Å
267	K	89.8	Confident	85	Confident	164 Å²	164	100 Å²	100	71%	0.713	48%	0.483	S	S	*	.	H	α-helix	trans	-65.9	-43	178.1	-62.9	179	-179.6	173	0	111.4	N265 K271	N265-K267 VanDerWaalsContact C-N 3.27Å; N265-K267 PolarHBondContact O-N 2.93Å; N265-K267 WeakPolarHBondContact OD1-CB 3.33Å; N265-K267 PolarHBondContact OD1-N 3.33Å; N265-K267 VanDerWaalsContact OD1-N 3.11Å; K267-K271 WeakPolarHBondContact O-CG 3.19Å; K267-K271 PolarHBondContact O-N 3.18Å; K267-K271 VanDerWaalsContact O-N 3.13Å
268	K	87.7	Confident	86.6	Confident	49 Å²	49	97.8 Å²	97.8	21%	0.213	46%	0.463	C	S	.	.	H	α-helix	trans	-69.8	-39.9	176.7	-67	-176.8	177.9	-179.6	0	111.7	D165 N265 G270 K271 K272 Y276	D165-K268 IonicContact OD1-NZ 2.63Å; D165-K268 IonicContact OD2-NZ 2.53Å; D165-K268 PolarHBondContact OD2-NZ 3.38Å; N265-K268 HydrophobicContact CB-CB 4Å; N265-K268 HydrophobicContact CB-CD 4.11Å; N265-K268 HydrophobicContact CB-CG 4.07Å; N265-K268 PolarHBondContact O-N 3.25Å; N265-K268 VanDerWaalsContact O-N 3.13Å; N265-K268 PolarHBondContact OD1-N 3.11Å; K268-G270 PolarHBondContact O-N 3.18Å; K268-K271 PolarHBondContact O-N 3.46Å; K268-K272 WeakPolarHBondContact O-CB 3.35Å; K268-K272 PolarHBondContact O-N 3.45Å; K268-Y276 HydrophobicContact CB-CD2 3.75Å; K268-Y276 HydrophobicContact CB-CE2 3.69Å; K268-Y276 HydrophobicContact CB-CG 4.35Å; K268-Y276 HydrophobicContact CD-CE2 4.02Å; K268-Y276 HydrophobicContact CG-CE2 4.49Å
269	K	86.1	Confident	87.9	Confident	119 Å²	119	90.9 Å²	90.9	52%	0.517	43%	0.433	S	S	.	.	H	α-helix	trans	-60	-44.2	175.9	-168	173.5	-177.2	175.3	0	111.5	N265 P266 K273 Y276	N265-K269 WeakPolarHBondContact O-CB 3.39Å; N265-K269 PolarHBondContact O-N 3.49Å; P266-K269 PolarHBondContact O-N 3.02Å; K269-K273 WeakPolarHBondContact O-CA 3.01Å; K269-K273 PolarHBondContact O-N 3.45Å; K269-Y276 HydrophobicContact CB-CD1 3.93Å; K269-Y276 HydrophobicContact CB-CE1 4.16Å; K269-Y276 HydrophobicContact CG-CD1 4.28Å
270	G	83.8	Confident	88.6	Confident	54 Å²	54	86.9 Å²	86.9	56%	0.557	42%	0.417	S	S	*	.	H	α-helix	trans	-63	-44	175	0	0	0	0	0	113.6	P266 K268	P266-G270 PolarHBondContact O-N 3.41Å; K268-G270 PolarHBondContact O-N 3.18Å
271	K	85.8	Confident	88.9	Confident	183 Å²	183	85.5 Å²	85.5	80%	0.796	41%	0.406	S	S	*	.	H	α-helix	trans	-75.8	-44	-177.5	-73.1	-178	179.4	-176.9	0	114	K267 K268	K267-K271 WeakPolarHBondContact O-CG 3.19Å; K267-K271 PolarHBondContact O-N 3.18Å; K267-K271 VanDerWaalsContact O-N 3.13Å; K268-K271 PolarHBondContact O-N 3.46Å
272	K	82.5	Confident	89.1	Confident	127 Å²	127	85 Å²	85	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-99.5	-9.8	-170.6	-68.2	-176.2	179	-176.5	0	113.7	K268 K274 K275	K268-K272 WeakPolarHBondContact O-CB 3.35Å; K268-K272 PolarHBondContact O-N 3.45Å; K272-K274 PolarHBondContact O-N 3.11Å; K272-K274 VanDerWaalsContact O-N 3.13Å; K272-K275 PolarHBondContact O-N 3.37Å
273	K	78.8	Confident	89	Confident	164 Å²	164	80.6 Å²	80.6	71%	0.713	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	40.3	-114.7	179.2	-63	-174.6	179.6	179.8	0	111.8	K269 K275 Y276	K269-K273 WeakPolarHBondContact O-CA 3.01Å; K269-K273 PolarHBondContact O-N 3.45Å; K273-K275 VanDerWaalsContact C-N 3.26Å; K273-K275 PolarHBondContact O-N 3.42Å; K273-Y276 PolarHBondContact O-N 3.31Å
274	K	77.3	Confident	88.9	Confident	216 Å²	216	80.8 Å²	80.8	94%	0.939	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-66.1	-16.4	-175.2	-65.5	-171.9	177.3	-176.1	0	115.3	K272	K272-K274 PolarHBondContact O-N 3.11Å; K272-K274 VanDerWaalsContact O-N 3.13Å
275	K	82.3	Confident	88.7	Confident	198 Å²	198	81.1 Å²	81.1	86%	0.861	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-87.1	-8.9	178.1	-70.2	-172.6	178.4	-177.1	0	113.4	K272 K273	K272-K275 PolarHBondContact O-N 3.37Å; K273-K275 VanDerWaalsContact C-N 3.26Å; K273-K275 PolarHBondContact O-N 3.42Å
276	Y	87.5	Confident	88.4	Confident	28 Å²	28	82.4 Å²	82.4	11%	0.11	40%	0.397	C	S	.	.			trans	-96.4	120.7	179	177.9	-102.2	0	0	0	109.7	V263 L264 N265 K268 K269 K273 N278 S279	V263-Y276 PolarHBondContact O-OH 2.8Å; L264-Y276 WeakPolarHBondContact CA-OH 3.26Å; L264-Y276 HydrophobicContact CD2-CE1 4.18Å; N265-Y276 PolarHBondContact N-OH 2.6Å; K268-Y276 HydrophobicContact CB-CD2 3.75Å; K268-Y276 HydrophobicContact CB-CE2 3.69Å; K268-Y276 HydrophobicContact CB-CG 4.35Å; K268-Y276 HydrophobicContact CD-CE2 4.02Å; K268-Y276 HydrophobicContact CG-CE2 4.49Å; K269-Y276 HydrophobicContact CB-CD1 3.93Å; K269-Y276 HydrophobicContact CB-CE1 4.16Å; K269-Y276 HydrophobicContact CG-CD1 4.28Å; K273-Y276 PolarHBondContact O-N 3.31Å; Y276-N278 WeakPolarHBondContact CE2-O 3.37Å; Y276-N278 WeakPolarHBondContact OH-CA 3.45Å; Y276-S279 PolarHBondContact OH-N 2.82Å; Y276-S279 PolarHBondContact OH-OG 2.77Å
277	Q	85.6	Confident	88.3	Confident	164 Å²	164	79.5 Å²	79.5	77%	0.766	38%	0.378	S	S	*	.			trans	-89.9	-74.1	169.1	-88.2	176.6	-17.5	0	0	109.4
278	N	91.1	Very high	88.2	Confident	44 Å²	44	76.2 Å²	76.2	24%	0.235	37%	0.368	C	S	.	.			trans	-153.3	178.7	179.8	57	47.6	0	0	0	110	E262 V263 L264 Y276 G280	E262-N278 HydrophobicContact CB-CB 4.19Å; E262-N278 PolarHBondContact OE1-ND2 3.34Å; V263-N278 WeakPolarHBondContact O-CB 3.41Å; L264-N278 HydrophobicContact CD2-CB 4.26Å; Y276-N278 WeakPolarHBondContact CE2-O 3.37Å; Y276-N278 WeakPolarHBondContact OH-CA 3.45Å; N278-G280 PolarHBondContact OD1-N 2.76Å; N278-G280 VanDerWaalsContact OD1-N 3.12Å; N278-G280 PolarHBondContact OD1-O 3.44Å
279	S	94.5	Very high	88.1	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-106.1	33.5	175.2	-57.7	0	0	0	0	110.4	L164 D165 I240 V263 N265 Y276	L164-S279 WeakPolarHBondContact CA-O 3.38Å; D165-S279 PolarHBondContact N-O 2.9Å; D165-S279 VanDerWaalsContact N-O 3.15Å; D165-S279 WeakPolarHBondContact OD2-CA 3.47Å; D165-S279 WeakPolarHBondContact OD2-CB 3.48Å; D165-S279 PolarHBondContact OD2-OG 3.3Å; I240-S279 PolarHBondContact O-OG 2.91Å; V263-S279 PolarHBondContact O-N 2.73Å; N265-S279 WeakPolarHBondContact CB-OG 3.48Å; Y276-S279 PolarHBondContact OH-N 2.82Å; Y276-S279 PolarHBondContact OH-OG 2.77Å
280	G	95	Very high	87.8	Confident	4 Å²	4	75 Å²	75	4%	0.041	37%	0.371	C	S	.	.			trans	101.6	-175.3	-168.6	0	0	0	0	0	113.1	N162 K163 V263 N278	N162-G280 VanDerWaalsContact O-CA 3.32Å; N162-G280 WeakPolarHBondContact O-CA 3.28Å; K163-G280 WeakPolarHBondContact O-CA 3.35Å; V263-G280 WeakPolarHBondContact CB-O 3.29Å; V263-G280 PolarHBondContact N-O 3.01Å; N278-G280 PolarHBondContact OD1-N 2.76Å; N278-G280 VanDerWaalsContact OD1-N 3.12Å; N278-G280 PolarHBondContact OD1-O 3.44Å
281	T	95.8	Very high	87.6	Confident	30 Å²	30	76 Å²	76	18%	0.184	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.3	175.1	65.4	0	0	0	0	111.6	G161 N162 S260 F261	G161-T281 CarbonylContact C-O 3.58Å; G161-T281 WeakPolarHBondContact CA-O 3.48Å; N162-T281 PolarHBondContact N-O 3.05Å; N162-T281 PolarHBondContact O-N 3.34Å; S260-T281 WeakPolarHBondContact OG-CB 3.48Å; S260-T281 PolarHBondContact OG-OG1 3.03Å; F261-T281 CarbonylContact O-C 3.58Å; F261-T281 VanDerWaalsContact O-CA 3.22Å; F261-T281 WeakPolarHBondContact O-CA 2.96Å; F261-T281 WeakPolarHBondContact O-CB 3.49Å
282	V	96.3	Very high	87.1	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.3	171.2	169.3	0	0	0	0	108	F159 C160 L177 W205 V228 F243 S260 F261 V263	F159-V282 HydrophobicContact CB-CG1 4.25Å; F159-V282 HydrophobicContact CD1-CG1 3.74Å; F159-V282 HydrophobicContact CG-CG1 4.37Å; C160-V282 CarbonylContact O-C 3.57Å; C160-V282 WeakPolarHBondContact O-CA 3.13Å; L177-V282 HydrophobicContact CD1-CG1 4.44Å; L177-V282 HydrophobicContact CD2-CG2 4.31Å; W205-V282 HydrophobicContact CH2-CG2 4.3Å; W205-V282 HydrophobicContact CZ3-CG1 4.37Å; W205-V282 HydrophobicContact CZ3-CG2 4.36Å; V228-V282 HydrophobicContact CG2-CG2 4.14Å; F243-V282 HydrophobicContact CE1-CB 3.76Å; F243-V282 HydrophobicContact CE1-CG1 3.93Å; F243-V282 HydrophobicContact CE1-CG2 4.03Å; F243-V282 HydrophobicContact CZ-CB 4.13Å; F243-V282 HydrophobicContact CZ-CG1 3.87Å; S260-V282 CarbonylContact C-O 3.47Å; F261-V282 WeakPolarHBondContact CD2-O 3.45Å; F261-V282 PolarHBondContact N-O 2.87Å; F261-V282 PolarHBondContact O-N 3.28Å; V263-V282 HydrophobicContact CG2-CB 4.32Å; V263-V282 HydrophobicContact CG2-CG2 3.67Å
283	T	94.1	Very high	87.1	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.123	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	-177.1	-55.2	0	0	0	0	110.1	F159 C160 F258 F259 S260 L285	F159-T283 CarbonylContact C-O 3.56Å; F159-T283 VanDerWaalsContact CA-O 3.3Å; F159-T283 WeakPolarHBondContact CA-O 3.3Å; C160-T283 PolarHBondContact N-O 3.48Å; C160-T283 PolarHBondContact O-N 2.81Å; F258-T283 HydrophobicContact CB-CG2 3.72Å; F259-T283 WeakPolarHBondContact O-CA 3.27Å; S260-T283 PolarHBondContact OG-OG1 3.39Å; T283-L285 PolarHBondContact O-N 2.76Å
284	L	92.8	Very high	87.4	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	109.2	169.8	179.5	63.5	0	0	0	108.6	L157 F159 M250 F259 F261 S286 C287	L157-L284 HydrophobicContact CD2-CD1 3.87Å; F159-L284 HydrophobicContact CD1-CB 4.16Å; F159-L284 HydrophobicContact CD1-CD1 4.07Å; F159-L284 HydrophobicContact CD2-CD1 4.42Å; F159-L284 HydrophobicContact CE1-CB 3.92Å; F159-L284 HydrophobicContact CE1-CD1 3.61Å; F159-L284 HydrophobicContact CE1-CG 4.31Å; F159-L284 HydrophobicContact CE2-CD1 4Å; F159-L284 HydrophobicContact CG-CD1 4.47Å; F159-L284 HydrophobicContact CZ-CD1 3.58Å; M250-L284 HydrophobicContact CB-CD2 3.81Å; M250-L284 HydrophobicContact CG-CD2 3.99Å; F259-L284 PolarHBondContact O-N 3.3Å; F261-L284 HydrophobicContact CE2-CB 4.25Å; L284-S286 VanDerWaalsContact CD1-O 3.23Å; L284-S286 WeakPolarHBondContact CD1-O 3.3Å; L284-C287 HydrophobicContact CD1-CB 4.37Å; L284-C287 HydrophobicContact CD2-CB 3.98Å; L284-C287 HydrophobicContact CG-CB 4.35Å
285	L	90.4	Very high	88	Confident	62 Å²	62	51.7 Å²	51.7	33%	0.325	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-40.9	-179.5	-66.7	-179.5	0	0	0	112	Q158 C160 V204 F258 T283	Q158-L285 HydrophobicContact CB-CB 4.29Å; Q158-L285 HydrophobicContact CG-CB 4.4Å; Q158-L285 HydrophobicContact CG-CD1 4.24Å; Q158-L285 WeakPolarHBondContact O-CB 3.49Å; Q158-L285 PolarHBondContact O-N 3.2Å; C160-L285 HydrophobicContact CB-CD1 3.9Å; C160-L285 HydrophobicContact CB-CG 4.27Å; V204-L285 HydrophobicContact CG1-CD1 4.26Å; F258-L285 HydrophobicContact CD1-CD2 4.41Å; F258-L285 HydrophobicContact CE1-CD2 4.47Å; T283-L285 PolarHBondContact O-N 2.76Å
286	S	88.4	Confident	88.2	Confident	35 Å²	35	42.9 Å²	42.9	25%	0.245	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	139.4	-177.6	-174.2	0	0	0	0	110.4	L157 Q158 L284	L157-S286 WeakPolarHBondContact CA-O 3.5Å; Q158-S286 PolarHBondContact N-O 2.63Å; Q158-S286 PolarHBondContact O-N 3.12Å; L284-S286 VanDerWaalsContact CD1-O 3.23Å; L284-S286 WeakPolarHBondContact CD1-O 3.3Å
287	C	88.9	Confident	88.2	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.034	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	95.4	172.6	178.1	0	0	0	0	106.9	V155 M156 L157 Q254 L284	V155-C287 VanDerWaalsContact CG2-SG 3.51Å; M156-C287 CarbonylContact O-C 3.6Å; M156-C287 WeakPolarHBondContact O-CA 3.24Å; L157-C287 HydrophobicContact CD2-CB 4Å; Q254-C287 PolarHBondContact NE2-O 3Å; L284-C287 HydrophobicContact CD1-CB 4.37Å; L284-C287 HydrophobicContact CD2-CB 3.98Å; L284-C287 HydrophobicContact CG-CB 4.35Å
288	L	87.8	Confident	88.4	Confident	94 Å²	94	35.2 Å²	35.2	49%	0.492	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.2	178.1	-59.5	173.3	0	0	0	108.4	V155 M156	V155-L288 WeakPolarHBondContact CA-O 3.49Å; M156-L288 HydrophobicContact CB-CB 4.27Å; M156-L288 PolarHBondContact N-O 2.81Å; M156-L288 PolarHBondContact O-N 2.85Å
289	V	85.5	Confident	88.4	Confident	59 Å²	59	33.4 Å²	33.4	36%	0.358	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.8	174	-178.2	0	0	0	0	107.8	E153 Y247 C251	E153-V289 HydrophobicContact CB-CG1 4.43Å; E153-V289 HydrophobicContact CG-CG1 4.28Å; Y247-V289 HydrophobicContact CE2-CG2 4.47Å; Y247-V289 VanDerWaalsContact OH-CG1 3.24Å; Y247-V289 WeakPolarHBondContact OH-CG1 3.45Å; Y247-V289 WeakPolarHBondContact OH-CG2 3.29Å; C251-V289 VanDerWaalsContact SG-CG2 3.53Å
290	D	80.6	Confident	87.9	Confident	83 Å²	83	34.9 Å²	34.9	44%	0.444	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.1	179.4	-176.4	33	0	0	0	108.4	S154 K209 E292	S154-D290 PolarHBondContact N-O 2.89Å; S154-D290 PolarHBondContact O-N 3.16Å; S154-D290 PolarHBondContact OG-O 3.05Å; K209-D290 IonicContact NZ-OD2 2.84Å; K209-D290 PolarHBondContact NZ-OD2 2.81Å; D290-E292 PolarHBondContact O-N 3.21Å
291	T	77.8	Confident	87.4	Confident	75 Å²	75	35.6 Å²	35.6	46%	0.46	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.5	174.3	-54.1	0	0	0	0	107.7	R152 L293	R152-T291 HydrophobicContact CB-CG2 4.02Å; R152-T291 CarbonylContact O-C 3.39Å; T291-L293 PolarHBondContact O-N 3Å; T291-L293 VanDerWaalsContact O-N 3.15Å
292	E	75.2	Confident	87.1	Confident	80 Å²	80	35.4 Å²	35.4	37%	0.374	20%	0.203	S	C	.	.			trans	-68.1	112.5	171.1	-65.3	-171.5	161.6	0	0	108.8	R152 S154 K209 D290	R152-E292 PolarHBondContact O-N 3.41Å; S154-E292 WeakPolarHBondContact CB-OE1 3.39Å; S154-E292 WeakPolarHBondContact OG-CG 3.28Å; K209-E292 VanDerWaalsContact CE-OE1 3.29Å; K209-E292 WeakPolarHBondContact CE-OE1 3.04Å; K209-E292 IonicContact NZ-OE1 3.32Å; D290-E292 PolarHBondContact O-N 3.21Å
293	L	83.4	Confident	86.8	Confident	66 Å²	66	35.9 Å²	35.9	35%	0.346	21%	0.206	S	C	.	.			trans	-80.8	126.1	175.8	-59.7	168.9	0	0	0	108.1	T291 Y298 L537 P547	T291-L293 PolarHBondContact O-N 3Å; T291-L293 VanDerWaalsContact O-N 3.15Å; L293-Y298 HydrophobicContact CB-CE2 3.87Å; L293-Y298 WeakPolarHBondContact CD1-OH 3.38Å; L293-L537 WeakPolarHBondContact O-CD2 3.35Å; L293-P547 HydrophobicContact CD1-CG 4.43Å; L293-P547 HydrophobicContact CD2-CG 4.07Å
294	S	85.6	Confident	86.6	Confident	21 Å²	21	37.3 Å²	37.3	15%	0.147	21%	0.211	C	C	.	.			trans	-86.5	163.8	178.2	76.7	0	0	0	0	110.9	E147 L296 D297 Y298	E147-S294 WeakPolarHBondContact OE2-CB 3.43Å; E147-S294 PolarHBondContact OE2-OG 2.9Å; S294-L296 VanDerWaalsContact C-N 3.26Å; S294-L296 PolarHBondContact O-N 3.39Å; S294-L296 PolarHBondContact OG-N 3.08Å; S294-D297 PolarHBondContact N-OD2 2.93Å; S294-D297 VanDerWaalsContact N-OD2 3.09Å; S294-D297 WeakPolarHBondContact O-CB 3.44Å; S294-D297 PolarHBondContact O-N 2.78Å; S294-D297 PolarHBondContact OG-N 3.21Å; S294-D297 VanDerWaalsContact OG-N 3.14Å; S294-D297 PolarHBondContact OG-OD2 2.95Å; S294-Y298 WeakPolarHBondContact O-CD2 3.5Å
295	F	88.5	Confident	86.6	Confident	13 Å²	13	37.1 Å²	37.1	6%	0.057	21%	0.21	C	C	.	.	H	α-helix	trans	-55.6	-43.9	170.8	175	-104	0	0	0	111.7	F80 D297 Y298 I299 I305 Y351 P533 F536	F80-F295 HydrophobicContact CD2-CD1 4.33Å; F80-F295 AromaticContact CD2-CE1 3.53Å; F80-F295 HydrophobicContact CD2-CE1 3.53Å; F80-F295 AromaticContact CD2-CZ 3.97Å; F80-F295 HydrophobicContact CD2-CZ 3.97Å; F80-F295 AromaticContact CE2-CE1 3.76Å; F80-F295 HydrophobicContact CE2-CE1 3.76Å; F80-F295 AromaticContact CE2-CZ 3.7Å; F80-F295 HydrophobicContact CE2-CZ 3.7Å; F80-F295 HydrophobicContact CG-CE1 4.41Å; F80-F295 HydrophobicContact CZ-CZ 4.43Å; F295-D297 PolarHBondContact O-N 3.32Å; F295-Y298 PolarHBondContact O-N 3.36Å; F295-Y298 VanDerWaalsContact O-N 3.16Å; F295-I299 HydrophobicContact CD1-CG1 4.06Å; F295-I299 HydrophobicContact CE1-CD1 4.08Å; F295-I299 HydrophobicContact CE1-CG1 3.62Å; F295-I299 HydrophobicContact CE2-CD1 4.15Å; F295-I299 HydrophobicContact CE2-CG1 4.3Å; F295-I299 HydrophobicContact CZ-CD1 3.69Å; F295-I299 HydrophobicContact CZ-CG1 3.76Å; F295-I299 PolarHBondContact O-N 2.76Å; F295-I305 HydrophobicContact CE2-CD1 4.22Å; F295-I305 HydrophobicContact CZ-CD1 4.34Å; F295-I305 HydrophobicContact CZ-CG1 4.32Å; F295-Y351 HydrophobicContact CE1-CD1 4.44Å; F295-Y351 HydrophobicContact CE1-CE1 4.28Å; F295-P533 HydrophobicContact CB-CB 4.09Å; F295-P533 HydrophobicContact CD2-CB 4.25Å; F295-P533 HydrophobicContact CG-CB 4.12Å; F295-F536 HydrophobicContact CD2-CB 4.29Å; F295-F536 AromaticContact CD2-CD1 3.61Å; F295-F536 HydrophobicContact CD2-CD1 3.61Å; F295-F536 HydrophobicContact CD2-CE1 4.06Å; F295-F536 AromaticContact CD2-CG 3.91Å; F295-F536 HydrophobicContact CD2-CG 3.91Å; F295-F536 HydrophobicContact CE2-CB 4.37Å; F295-F536 HydrophobicContact CE2-CD1 4.12Å; F295-F536 HydrophobicContact CE2-CD2 4.25Å; F295-F536 AromaticContact CE2-CG 3.99Å; F295-F536 HydrophobicContact CE2-CG 3.99Å
296	L	87.5	Confident	86.7	Confident	14 Å²	14	35.7 Å²	35.7	7%	0.073	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-25.9	179.5	-70.2	-173.5	0	0	0	113.5	T17 V19 Y78 V119 E147 S294 Y298 I299 R300	T17-L296 HydrophobicContact CG2-CD1 3.71Å; V19-L296 HydrophobicContact CG2-CD1 4.07Å; Y78-L296 HydrophobicContact CD1-CD1 3.93Å; Y78-L296 HydrophobicContact CD1-CG 4.39Å; Y78-L296 HydrophobicContact CE1-CD1 3.96Å; Y78-L296 HydrophobicContact CE1-CD2 3.76Å; Y78-L296 HydrophobicContact CE1-CG 3.94Å; Y78-L296 HydrophobicContact CE2-CD2 4.45Å; Y78-L296 HydrophobicContact CG-CD1 4.38Å; V119-L296 HydrophobicContact CB-CD2 4.06Å; V119-L296 HydrophobicContact CG2-CD2 4.03Å; E147-L296 HydrophobicContact CB-CD1 4.23Å; E147-L296 HydrophobicContact CG-CD1 4.39Å; S294-L296 VanDerWaalsContact C-N 3.26Å; S294-L296 PolarHBondContact O-N 3.39Å; S294-L296 PolarHBondContact OG-N 3.08Å; L296-Y298 VanDerWaalsContact C-N 3.31Å; L296-Y298 PolarHBondContact O-N 3.18Å; L296-I299 PolarHBondContact O-N 3.32Å; L296-R300 WeakPolarHBondContact O-CB 3.44Å; L296-R300 PolarHBondContact O-N 3.37Å
297	D	86.9	Confident	87	Confident	26 Å²	26	34 Å²	34	14%	0.139	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-41.6	174.5	-73.9	-34.5	0	0	0	111.8	R152 S294 F295 G301 P547	R152-D297 IonicContact CZ-OD1 3.74Å; R152-D297 IonicContact CZ-OD2 3.12Å; R152-D297 IonicContact NH1-OD1 3.91Å; R152-D297 PolarHBondContact NH1-OD1 3.42Å; R152-D297 IonicContact NH1-OD2 3.9Å; R152-D297 PolarHBondContact NH1-OD2 3.27Å; R152-D297 IonicContact NH2-OD1 3.39Å; S294-D297 PolarHBondContact N-OD2 2.93Å; S294-D297 VanDerWaalsContact N-OD2 3.09Å; S294-D297 WeakPolarHBondContact O-CB 3.44Å; S294-D297 PolarHBondContact O-N 2.78Å; S294-D297 PolarHBondContact OG-N 3.21Å; S294-D297 VanDerWaalsContact OG-N 3.14Å; S294-D297 PolarHBondContact OG-OD2 2.95Å; F295-D297 PolarHBondContact O-N 3.32Å; D297-G301 PolarHBondContact O-N 2.7Å; D297-P547 HydrophobicContact CB-CB 4.35Å; D297-P547 HydrophobicContact CB-CG 3.79Å; D297-P547 WeakPolarHBondContact O-CB 3.47Å
298	Y	90.7	Very high	87.3	Confident	5 Å²	5	34.4 Å²	34.4	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-70.9	-45.1	177.7	-69.6	-94.1	0	0	0	111.7	L293 S294 F295 L296 R300 G301 G302 T303 F536 L537 M540 I545 P547	L293-Y298 HydrophobicContact CB-CE2 3.87Å; L293-Y298 WeakPolarHBondContact CD1-OH 3.38Å; S294-Y298 WeakPolarHBondContact O-CD2 3.5Å; F295-Y298 PolarHBondContact O-N 3.36Å; F295-Y298 VanDerWaalsContact O-N 3.16Å; L296-Y298 VanDerWaalsContact C-N 3.31Å; L296-Y298 PolarHBondContact O-N 3.18Å; Y298-R300 VanDerWaalsContact C-N 3.33Å; Y298-R300 PolarHBondContact O-N 2.89Å; Y298-G301 CarbonylContact O-C 3.59Å; Y298-G301 WeakPolarHBondContact O-CA 3.2Å; Y298-G301 PolarHBondContact O-N 3.02Å; Y298-G302 PolarHBondContact O-N 3.33Å; Y298-G302 VanDerWaalsContact O-N 3.15Å; Y298-T303 WeakPolarHBondContact O-CB 3.45Å; Y298-T303 PolarHBondContact O-N 3.15Å; Y298-T303 PolarHBondContact O-OG1 3.25Å; Y298-F536 HydrophobicContact CD1-CE1 4.16Å; Y298-F536 HydrophobicContact CD1-CZ 4.06Å; Y298-F536 AromaticContact CD2-CE1 3.63Å; Y298-F536 HydrophobicContact CD2-CE1 3.63Å; Y298-F536 HydrophobicContact CD2-CZ 4.27Å; Y298-F536 HydrophobicContact CE2-CE1 4.3Å; Y298-F536 AromaticContact CG-CE1 3.55Å; Y298-F536 HydrophobicContact CG-CE1 3.55Å; Y298-F536 AromaticContact CG-CZ 3.71Å; Y298-F536 HydrophobicContact CG-CZ 3.71Å; Y298-L537 HydrophobicContact CD2-CD2 4.08Å; Y298-L537 HydrophobicContact CE2-CD2 3.76Å; Y298-M540 HydrophobicContact CD1-CE 4.38Å; Y298-M540 HydrophobicContact CD1-CG 4.05Å; Y298-M540 HydrophobicContact CD1-SD 4.28Å; Y298-M540 HydrophobicContact CE1-CB 3.79Å; Y298-M540 HydrophobicContact CE1-CG 3.65Å; Y298-M540 HydrophobicContact CE1-SD 4.01Å; Y298-M540 HydrophobicContact CE2-CB 4.37Å; Y298-M540 HydrophobicContact CE2-CG 4.48Å; Y298-M540 WeakPolarHBondContact OH-CB 3.05Å; Y298-I545 HydrophobicContact CE1-CG2 4.29Å; Y298-I545 PolarHBondContact OH-O 3.39Å; Y298-P547 HydrophobicContact CD1-CB 4.34Å; Y298-P547 HydrophobicContact CD1-CG 4.01Å; Y298-P547 HydrophobicContact CD2-CG 3.95Å; Y298-P547 HydrophobicContact CE1-CG 3.98Å; Y298-P547 HydrophobicContact CE2-CG 3.92Å; Y298-P547 HydrophobicContact CG-CB 4.44Å; Y298-P547 HydrophobicContact CG-CG 4Å
299	I	90.1	Very high	87.8	Confident	6 Å²	6	29.9 Å²	29.9	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-47.2	176.2	-60.5	-55.8	0	0	0	110.6	F295 L296 G301 G302 I305 Y351	F295-I299 HydrophobicContact CD1-CG1 4.06Å; F295-I299 HydrophobicContact CE1-CD1 4.08Å; F295-I299 HydrophobicContact CE1-CG1 3.62Å; F295-I299 HydrophobicContact CE2-CD1 4.15Å; F295-I299 HydrophobicContact CE2-CG1 4.3Å; F295-I299 HydrophobicContact CZ-CD1 3.69Å; F295-I299 HydrophobicContact CZ-CG1 3.76Å; F295-I299 PolarHBondContact O-N 2.76Å; L296-I299 PolarHBondContact O-N 3.32Å; I299-G301 VanDerWaalsContact C-N 3.26Å; I299-G301 PolarHBondContact O-N 3.01Å; I299-G302 PolarHBondContact O-N 3.06Å; I299-I305 HydrophobicContact CD1-CD1 4.1Å; I299-I305 HydrophobicContact CD1-CG1 3.88Å; I299-Y351 HydrophobicContact CD1-CD1 4.28Å; I299-Y351 HydrophobicContact CG1-CD1 4.32Å; I299-Y351 HydrophobicContact CG2-CD1 4.16Å
300	R	84.4	Confident	88.4	Confident	31 Å²	31	27.1 Å²	27.1	12%	0.117	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-32.8	175.6	-174.2	176.8	-177.7	179.9	5.6	112.7	E146 L296 Y298 G302	E146-R300 IonicContact OE1-NH2 2.75Å; L296-R300 WeakPolarHBondContact O-CB 3.44Å; L296-R300 PolarHBondContact O-N 3.37Å; Y298-R300 VanDerWaalsContact C-N 3.33Å; Y298-R300 PolarHBondContact O-N 2.89Å; R300-G302 PolarHBondContact O-N 2.83Å
301	G	85.8	Confident	89.2	Confident	18 Å²	18	23.1 Å²	23.1	19%	0.186	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-3.2	172.7	0	0	0	0	0	114.4	D297 Y298 I299	D297-G301 PolarHBondContact O-N 2.7Å; Y298-G301 CarbonylContact O-C 3.59Å; Y298-G301 WeakPolarHBondContact O-CA 3.2Å; Y298-G301 PolarHBondContact O-N 3.02Å; I299-G301 VanDerWaalsContact C-N 3.26Å; I299-G301 PolarHBondContact O-N 3.01Å
302	G	87.9	Confident	90.1	Very high	27 Å²	27	19.6 Å²	19.6	28%	0.278	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	10.4	176.2	0	0	0	0	0	114.8	Y298 I299 R300 Q304	Y298-G302 PolarHBondContact O-N 3.33Å; Y298-G302 VanDerWaalsContact O-N 3.15Å; I299-G302 PolarHBondContact O-N 3.06Å; R300-G302 PolarHBondContact O-N 2.83Å; G302-Q304 PolarHBondContact O-N 2.92Å
303	T	91.2	Very high	91.1	Very high	9 Å²	9	15.8 Å²	15.8	6%	0.055	9%	0.092	C	C	.	.			trans	-64.9	130.4	170.9	-62.6	0	0	0	0	110.2	Y298 G433 S434 F536 M540	Y298-T303 WeakPolarHBondContact O-CB 3.45Å; Y298-T303 PolarHBondContact O-N 3.15Å; Y298-T303 PolarHBondContact O-OG1 3.25Å; T303-G433 WeakPolarHBondContact CG2-O 3.36Å; T303-G433 PolarHBondContact OG1-O 2.82Å; T303-S434 CarbonylContact C-O 3.56Å; T303-S434 WeakPolarHBondContact CA-O 3.08Å; T303-F536 HydrophobicContact CG2-CE2 3.69Å; T303-F536 HydrophobicContact CG2-CZ 3.81Å; T303-M540 HydrophobicContact CG2-CE 4.31Å
304	Q	90.2	Very high	91.7	Very high	50 Å²	50	12.7 Å²	12.7	23%	0.234	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.8	178	-54.6	-169	20.8	0	0	111.1	G302 S353 S434 Y436	G302-Q304 PolarHBondContact O-N 2.92Å; Q304-S353 PolarHBondContact NE2-OG 3.16Å; Q304-S353 PolarHBondContact OE1-OG 3.32Å; Q304-S434 PolarHBondContact N-O 3.15Å; Q304-Y436 PolarHBondContact O-N 3.16Å
305	I	92.3	Very high	92.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	102.9	174.9	-52.8	-57.5	0	0	0	108.1	F295 I299 I348 Y351 D352 Y436 I438 F536	F295-I305 HydrophobicContact CE2-CD1 4.22Å; F295-I305 HydrophobicContact CZ-CD1 4.34Å; F295-I305 HydrophobicContact CZ-CG1 4.32Å; I299-I305 HydrophobicContact CD1-CD1 4.1Å; I299-I305 HydrophobicContact CD1-CG1 3.88Å; I305-I348 HydrophobicContact CG2-CG2 4.09Å; I305-Y351 PolarHBondContact N-O 3.2Å; I305-D352 WeakPolarHBondContact O-CB 3.48Å; I305-Y436 CarbonylContact C-O 3.6Å; I305-Y436 WeakPolarHBondContact CA-O 3.13Å; I305-Y436 HydrophobicContact CD1-CD1 4.41Å; I305-Y436 HydrophobicContact CD1-CG 4.49Å; I305-I438 HydrophobicContact CG2-CD1 3.33Å; I305-I438 HydrophobicContact CG2-CG1 3.78Å; I305-F536 HydrophobicContact CD1-CD2 4.17Å; I305-F536 HydrophobicContact CD1-CE2 4.12Å
306	N	92.3	Very high	92.3	Very high	31 Å²	31	17.1 Å²	17.1	17%	0.166	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.7	179.2	-60.6	-96.9	0	0	0	109.5	Q435 Y436 F437 I438	N306-Q435 PolarHBondContact ND2-OE1 2.85Å; N306-Q435 PolarHBondContact OD1-OE1 3.25Å; N306-Y436 PolarHBondContact N-O 3.18Å; N306-Y436 PolarHBondContact ND2-O 2.79Å; N306-Y436 VanDerWaalsContact ND2-O 3.12Å; N306-F437 HydrophobicContact CB-CD1 3.38Å; N306-F437 HydrophobicContact CB-CE1 3.6Å; N306-F437 HydrophobicContact CB-CG 4.14Å; N306-F437 VanDerWaalsContact CG-CE1 3.49Å; N306-F437 CarbonylContact O-C 3.59Å; N306-F437 WeakPolarHBondContact O-CA 3.04Å; N306-I438 PolarHBondContact O-N 2.91Å
307	F	94.8	Very high	92.6	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.3	-176.9	-174	-126.5	0	0	0	112	V309 I344 I348 F357 P358 I390 I438 L440	F307-V309 HydrophobicContact CD1-CG2 4.03Å; F307-V309 HydrophobicContact CE1-CG2 3.38Å; F307-V309 HydrophobicContact CE2-CG2 4.43Å; F307-V309 HydrophobicContact CZ-CG2 3.63Å; F307-I344 HydrophobicContact CE2-CG2 4.24Å; F307-I344 HydrophobicContact CZ-CG2 4.13Å; F307-I348 HydrophobicContact CB-CG2 3.76Å; F307-I348 HydrophobicContact CD2-CB 4.38Å; F307-I348 HydrophobicContact CD2-CD1 3.65Å; F307-I348 HydrophobicContact CD2-CG2 3.94Å; F307-I348 HydrophobicContact CE2-CD1 3.53Å; F307-I348 HydrophobicContact CG-CB 4.41Å; F307-I348 HydrophobicContact CG-CD1 4.47Å; F307-I348 HydrophobicContact CG-CG2 3.89Å; F307-I348 HydrophobicContact CZ-CD1 4.27Å; F307-F357 HydrophobicContact CB-CD1 3.67Å; F307-F357 HydrophobicContact CB-CE1 3.83Å; F307-F357 HydrophobicContact CB-CG 4.43Å; F307-F357 HydrophobicContact CD1-CD1 4.18Å; F307-F357 HydrophobicContact CD1-CD2 4.44Å; F307-F357 HydrophobicContact CD1-CE1 4.5Å; F307-F357 HydrophobicContact CD1-CG 4.15Å; F307-F357 HydrophobicContact CG-CD1 4.43Å; F307-F357 WeakPolarHBondContact O-CD1 3.37Å; F307-P358 WeakPolarHBondContact O-CD 3.47Å; F307-I390 HydrophobicContact CD1-CD1 4.03Å; F307-I390 HydrophobicContact CE1-CD1 3.75Å; F307-I438 HydrophobicContact CD2-CB 4.25Å; F307-I438 HydrophobicContact CD2-CG2 4.16Å; F307-I438 HydrophobicContact CE2-CG2 4.33Å; F307-L440 HydrophobicContact CE2-CB 3.64Å; F307-L440 HydrophobicContact CE2-CD2 4.3Å; F307-L440 HydrophobicContact CZ-CB 3.84Å; F307-L440 HydrophobicContact CZ-CD2 3.71Å; F307-L440 HydrophobicContact CZ-CG 4.44Å
308	T	96.1	Very high	92.9	Very high	12 Å²	12	16.6 Å²	16.6	7%	0.074	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.9	173.7	-63.1	0	0	0	0	109.9	P358 L360 V419 I438 L439 L440	T308-P358 HydrophobicContact CG2-CB 4.08Å; T308-L360 HydrophobicContact CG2-CD1 4.33Å; T308-V419 HydrophobicContact CG2-CG2 3.84Å; T308-I438 PolarHBondContact N-O 3.37Å; T308-L439 HydrophobicContact CG2-CD1 3.96Å; T308-L439 WeakPolarHBondContact O-CA 3.44Å; T308-L440 PolarHBondContact O-N 2.81Å
309	V	97.3	Very high	93	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.7	-179.6	176	0	0	0	0	109.8	F307 I311 L341 P358 L360 V393 L440	F307-V309 HydrophobicContact CD1-CG2 4.03Å; F307-V309 HydrophobicContact CE1-CG2 3.38Å; F307-V309 HydrophobicContact CE2-CG2 4.43Å; F307-V309 HydrophobicContact CZ-CG2 3.63Å; V309-I311 HydrophobicContact CG1-CD1 4.2Å; V309-I311 HydrophobicContact CG1-CG1 3.8Å; V309-L341 HydrophobicContact CB-CD2 4.42Å; V309-L341 HydrophobicContact CG1-CD2 3.28Å; V309-L341 HydrophobicContact CG2-CD2 4.28Å; V309-P358 PolarHBondContact N-O 3.49Å; V309-L360 PolarHBondContact O-N 2.87Å; V309-V393 HydrophobicContact CB-CG1 4.36Å; V309-V393 HydrophobicContact CG1-CG1 4.28Å; V309-V393 HydrophobicContact CG2-CG1 4.3Å; V309-L440 CarbonylContact C-O 3.53Å
310	A	97.4	Very high	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.9	171.6	0	0	0	0	0	109.8	L360 F362 V415 L439 L440 I441 I442	A310-L360 CarbonylContact C-O 3.49Å; A310-L360 VanDerWaalsContact CA-O 3.3Å; A310-L360 WeakPolarHBondContact CA-O 3.38Å; A310-F362 HydrophobicContact CB-CD1 4.24Å; A310-F362 HydrophobicContact CB-CE1 4.15Å; A310-V415 HydrophobicContact CB-CB 4.19Å; A310-V415 HydrophobicContact CB-CG1 4.14Å; A310-V415 HydrophobicContact CB-CG2 4.23Å; A310-L439 HydrophobicContact CB-CD1 4Å; A310-L440 PolarHBondContact N-O 3.32Å; A310-I441 HydrophobicContact CB-CG1 4.31Å; A310-I441 WeakPolarHBondContact O-CA 3.48Å; A310-I442 PolarHBondContact O-N 2.66Å
311	I	97.6	Very high	93.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133	-176.9	-58.3	177.5	0	0	0	109.7	V309 F313 Y337 L341 L360 G361 F362 L378 Y397	V309-I311 HydrophobicContact CG1-CD1 4.2Å; V309-I311 HydrophobicContact CG1-CG1 3.8Å; I311-F313 HydrophobicContact CB-CD2 4.2Å; I311-F313 HydrophobicContact CB-CE2 3.79Å; I311-F313 HydrophobicContact CG2-CD2 3.89Å; I311-F313 HydrophobicContact CG2-CE2 3.56Å; I311-F313 HydrophobicContact CG2-CZ 4.47Å; I311-F313 WeakPolarHBondContact O-CD2 3.32Å; I311-Y337 HydrophobicContact CG2-CD1 3.74Å; I311-Y337 HydrophobicContact CG2-CE1 4.04Å; I311-L341 HydrophobicContact CD1-CD1 3.6Å; I311-L341 HydrophobicContact CD1-CD2 4.12Å; I311-L341 HydrophobicContact CD1-CG 4.39Å; I311-L341 HydrophobicContact CG1-CD1 4.5Å; I311-L341 HydrophobicContact CG1-CD2 4.35Å; I311-L360 PolarHBondContact N-O 3.12Å; I311-G361 CarbonylContact O-C 3.52Å; I311-G361 VanDerWaalsContact O-CA 3.25Å; I311-G361 WeakPolarHBondContact O-CA 3.48Å; I311-F362 VanDerWaalsContact O-CD1 3.26Å; I311-F362 WeakPolarHBondContact O-CD1 3.33Å; I311-F362 PolarHBondContact O-N 3.34Å; I311-L378 HydrophobicContact CD1-CD1 3.61Å; I311-L378 HydrophobicContact CG1-CD1 4.25Å; I311-Y397 HydrophobicContact CD1-CD2 3.47Å; I311-Y397 VanDerWaalsContact CD1-CD2 3.47Å; I311-Y397 HydrophobicContact CD1-CE2 4.16Å; I311-Y397 HydrophobicContact CD1-CG 3.87Å; I311-Y397 HydrophobicContact CG2-CD2 4.07Å; I311-Y397 HydrophobicContact CG2-CE2 3.88Å
312	D	96.8	Very high	93.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.2	171.7	-168.7	-17	0	0	0	111	T314 H327 Y337 F362 I442 S443	D312-T314 WeakPolarHBondContact OD1-CB 3.22Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.25Å; D312-T314 PolarHBondContact OD1-N 3.14Å; D312-T314 PolarHBondContact OD1-OG1 3.41Å; D312-T314 PolarHBondContact OD2-OG1 2.93Å; D312-H327 PolarHBondContact O-CE1 3.46Å; D312-H327 PolarHBondContact O-NE2 2.96Å; D312-Y337 HydrophobicContact CB-CE1 4.17Å; D312-F362 HydrophobicContact CB-CE1 4.23Å; D312-F362 HydrophobicContact CB-CE2 3.76Å; D312-F362 HydrophobicContact CB-CZ 3.53Å; D312-I442 WeakPolarHBondContact CB-O 3.24Å; D312-I442 PolarHBondContact N-O 3.24Å; D312-S443 WeakPolarHBondContact OD2-CB 3.19Å; D312-S443 PolarHBondContact OD2-OG 3.36Å
313	F	96.8	Very high	93.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.199	C	C	.	.			trans	-120.7	30.6	173.8	-79.5	-108.9	0	0	0	111	I311 F362 G363 A364 F376 L378 Y397 L401 V404 L406 Y407	I311-F313 HydrophobicContact CB-CD2 4.2Å; I311-F313 HydrophobicContact CB-CE2 3.79Å; I311-F313 HydrophobicContact CG2-CD2 3.89Å; I311-F313 HydrophobicContact CG2-CE2 3.56Å; I311-F313 HydrophobicContact CG2-CZ 4.47Å; I311-F313 WeakPolarHBondContact O-CD2 3.32Å; F313-F362 WeakPolarHBondContact CA-O 3.09Å; F313-F362 PolarHBondContact N-O 3.42Å; F313-G363 VanDerWaalsContact O-O 3.12Å; F313-A364 HydrophobicContact CB-CB 3.81Å; F313-F376 HydrophobicContact CB-CZ 4.27Å; F313-F376 HydrophobicContact CD1-CZ 4.41Å; F313-F376 AromaticContact CD2-CZ 3.97Å; F313-F376 HydrophobicContact CD2-CZ 3.97Å; F313-F376 HydrophobicContact CE2-CZ 4.38Å; F313-F376 AromaticContact CG-CZ 4Å; F313-F376 HydrophobicContact CG-CZ 4Å; F313-L378 HydrophobicContact CE2-CD2 3.58Å; F313-L378 HydrophobicContact CZ-CD2 3.83Å; F313-Y397 HydrophobicContact CE2-CD2 4.21Å; F313-Y397 HydrophobicContact CE2-CE2 4.48Å; F313-Y397 AromaticContact CZ-CD2 3.78Å; F313-Y397 HydrophobicContact CZ-CD2 3.78Å; F313-Y397 HydrophobicContact CZ-CE2 4.11Å; F313-L401 HydrophobicContact CD1-CD2 3.71Å; F313-L401 HydrophobicContact CD1-CG 4.4Å; F313-L401 HydrophobicContact CE1-CB 4.25Å; F313-L401 HydrophobicContact CE1-CD2 3.36Å; F313-L401 HydrophobicContact CE1-CG 3.55Å; F313-L401 HydrophobicContact CZ-CD2 4.21Å; F313-L401 HydrophobicContact CZ-CG 4.08Å; F313-V404 HydrophobicContact CD1-CG2 3.43Å; F313-V404 VanDerWaalsContact CD1-CG2 3.43Å; F313-V404 HydrophobicContact CE1-CG2 3.79Å; F313-V404 HydrophobicContact CG-CG2 4.36Å; F313-L406 HydrophobicContact CB-CD2 3.76Å; F313-L406 HydrophobicContact CD1-CD2 3.68Å; F313-L406 HydrophobicContact CG-CD2 4.14Å; F313-L406 WeakPolarHBondContact O-CA 3.39Å; F313-L406 VanDerWaalsContact O-CB 3.31Å; F313-L406 WeakPolarHBondContact O-CB 3.47Å; F313-L406 VanDerWaalsContact O-CD2 3.23Å; F313-L406 WeakPolarHBondContact O-CD2 3.44Å; F313-Y407 PolarHBondContact O-N 3Å
314	T	95.6	Very high	93.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-75.4	158.4	176.1	58.9	0	0	0	0	112.5	D312 S316 N317 Y407 T410	D312-T314 WeakPolarHBondContact OD1-CB 3.22Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.25Å; D312-T314 PolarHBondContact OD1-N 3.14Å; D312-T314 PolarHBondContact OD1-OG1 3.41Å; D312-T314 PolarHBondContact OD2-OG1 2.93Å; T314-S316 VanDerWaalsContact C-N 3.25Å; T314-S316 PolarHBondContact O-N 3.41Å; T314-S316 PolarHBondContact OG1-OG 3.17Å; T314-N317 WeakPolarHBondContact O-CB 3.48Å; T314-N317 PolarHBondContact O-N 3.03Å; T314-N317 PolarHBondContact O-ND2 3.01Å; T314-N317 VanDerWaalsContact O-ND2 3.13Å; T314-N317 PolarHBondContact OG1-ND2 3.38Å; T314-Y407 CarbonylContact C-O 3.59Å; T314-Y407 WeakPolarHBondContact CA-O 3.37Å; T314-Y407 VanDerWaalsContact CB-O 3.32Å; T314-Y407 WeakPolarHBondContact CB-O 3.27Å; T314-T410 HydrophobicContact CG2-CG2 4.46Å; T314-T410 WeakPolarHBondContact CG2-OG1 3.18Å
315	A	94.1	Very high	94.1	Very high	56 Å²	56	35 Å²	35	46%	0.463	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-72.4	-15.4	-173.3	0	0	0	0	0	113.5	N317 G318 L406 Y407	A315-N317 PolarHBondContact O-N 3.2Å; A315-G318 PolarHBondContact O-N 3.3Å; A315-G318 VanDerWaalsContact O-N 3.09Å; A315-L406 HydrophobicContact CB-CB 4.45Å; A315-Y407 WeakPolarHBondContact CB-O 3.08Å; A315-Y407 PolarHBondContact N-O 2.84Å
316	S	93.4	Very high	94.2	Very high	70 Å²	70	36.5 Å²	36.5	49%	0.49	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-57.1	-31.1	171.8	43.7	0	0	0	0	111.9	T314 G318 D444	T314-S316 VanDerWaalsContact C-N 3.25Å; T314-S316 PolarHBondContact O-N 3.41Å; T314-S316 PolarHBondContact OG1-OG 3.17Å; S316-G318 PolarHBondContact O-N 2.9Å; S316-G318 VanDerWaalsContact O-N 3.11Å; S316-D444 WeakPolarHBondContact CB-OD2 3.01Å; S316-D444 VanDerWaalsContact OG-CG 3.26Å; S316-D444 PolarHBondContact OG-OD1 2.87Å; S316-D444 PolarHBondContact OG-OD2 3.12Å
317	N	94.3	Very high	94.3	Very high	3 Å²	3	35 Å²	35	2%	0.016	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66	-10.3	175.7	-69.1	-78.3	0	0	0	115.1	T314 A315 S325 L326 H327 Y337 L406 D444	T314-N317 WeakPolarHBondContact O-CB 3.48Å; T314-N317 PolarHBondContact O-N 3.03Å; T314-N317 PolarHBondContact O-ND2 3.01Å; T314-N317 VanDerWaalsContact O-ND2 3.13Å; T314-N317 PolarHBondContact OG1-ND2 3.38Å; A315-N317 PolarHBondContact O-N 3.2Å; N317-S325 CarbonylContact O-C 3.59Å; N317-S325 WeakPolarHBondContact O-CA 3.5Å; N317-S325 WeakPolarHBondContact O-CB 3.11Å; N317-S325 PolarHBondContact O-OG 2.86Å; N317-L326 HydrophobicContact CB-CB 4.38Å; N317-L326 PolarHBondContact O-N 3.05Å; N317-L326 WeakPolarHBondContact OD1-CD1 3.34Å; N317-H327 VanDerWaalsContact CB-CD2 3.48Å; N317-H327 WeakPolarHBondContact CB-CD2 3.37Å; N317-Y337 VanDerWaalsContact CG-OH 3.3Å; N317-Y337 PolarHBondContact ND2-OH 2.84Å; N317-Y337 WeakPolarHBondContact OD1-CE2 3.48Å; N317-Y337 VanDerWaalsContact OD1-CZ 3.29Å; N317-Y337 PolarHBondContact OD1-OH 3.38Å; N317-L406 HydrophobicContact CB-CD1 4.4Å; N317-D444 PolarHBondContact N-OD2 2.84Å; N317-D444 PolarHBondContact ND2-OD1 3.33Å; N317-D444 WeakPolarHBondContact OD1-CB 3.43Å
318	G	93	Very high	94.4	Very high	27 Å²	27	38.5 Å²	38.5	28%	0.278	24%	0.237	S	C	.	.			trans	73.7	172.4	-177.8	0	0	0	0	0	113.9	A315 S316 P320 S325 L406	A315-G318 PolarHBondContact O-N 3.3Å; A315-G318 VanDerWaalsContact O-N 3.09Å; S316-G318 PolarHBondContact O-N 2.9Å; S316-G318 VanDerWaalsContact O-N 3.11Å; G318-P320 WeakPolarHBondContact O-CD 3.46Å; G318-S325 PolarHBondContact O-OG 3.12Å; G318-S325 VanDerWaalsContact O-OG 3.07Å; G318-L406 WeakPolarHBondContact O-CD1 3.44Å
319	N	91.7	Very high	94.1	Very high	86 Å²	86	40.9 Å²	40.9	46%	0.46	25%	0.248	S	C	.	.			trans	-70.8	123	-175.7	-176.9	-31.8	0	0	0	111.3	S321 Q322 S325	N319-S321 PolarHBondContact O-N 2.92Å; N319-S321 WeakPolarHBondContact OD1-CB 3.18Å; N319-S321 PolarHBondContact OD1-N 2.87Å; N319-S321 PolarHBondContact OD1-OG 2.89Å; N319-Q322 HydrophobicContact CB-CG 4.16Å; N319-Q322 WeakPolarHBondContact O-CB 3.29Å; N319-Q322 PolarHBondContact O-N 2.91Å; N319-S325 WeakPolarHBondContact O-CB 3.49Å
320	P	93.1	Very high	93.6	Very high	17 Å²	17	42.6 Å²	42.6	11%	0.11	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.6	-177.4	-25.5	34.3	0	0	0	115.4	G318 Q322 H327 M329 L401 L406	G318-P320 WeakPolarHBondContact O-CD 3.46Å; P320-Q322 VanDerWaalsContact C-N 3.3Å; P320-H327 HydrophobicContact CB-CB 4.13Å; P320-H327 HydrophobicContact CG-CB 4.09Å; P320-M329 HydrophobicContact CB-CE 4.24Å; P320-L401 HydrophobicContact CB-CD2 4.47Å; P320-L401 HydrophobicContact CG-CD2 3.98Å; P320-L406 HydrophobicContact CG-CD1 3.89Å; P320-L406 HydrophobicContact CG-CG 4.33Å
321	S	89.5	Confident	93	Very high	99 Å²	99	47.6 Å²	47.6	69%	0.692	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.1	174.7	-55.1	0	0	0	0	113.3	N319	N319-S321 PolarHBondContact O-N 2.92Å; N319-S321 WeakPolarHBondContact OD1-CB 3.18Å; N319-S321 PolarHBondContact OD1-N 2.87Å; N319-S321 PolarHBondContact OD1-OG 2.89Å
322	Q	92.6	Very high	92.3	Very high	102 Å²	102	57.7 Å²	57.7	48%	0.477	33%	0.332	S	S	.	.	S	Bend	trans	-99.4	136.5	-177.6	-66.7	-174.7	-24.3	0	0	111	N319 P320 T324 S325 Y328	N319-Q322 HydrophobicContact CB-CG 4.16Å; N319-Q322 WeakPolarHBondContact O-CB 3.29Å; N319-Q322 PolarHBondContact O-N 2.91Å; P320-Q322 VanDerWaalsContact C-N 3.3Å; Q322-T324 PolarHBondContact O-N 2.99Å; Q322-S325 WeakPolarHBondContact O-CB 3.29Å; Q322-S325 PolarHBondContact O-N 3.09Å; Q322-Y328 VanDerWaalsContact C-CD2 3.44Å; Q322-Y328 VanDerWaalsContact O-CD2 3.26Å; Q322-Y328 WeakPolarHBondContact O-CD2 3.26Å
323	P	90.8	Very high	91.7	Very high	98 Å²	98	63.1 Å²	63.1	64%	0.636	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.4	177.5	-25.9	34.9	0	0	0	115.4	S325 Y328	P323-S325 VanDerWaalsContact C-N 3.31Å; P323-Y328 HydrophobicContact CB-CD1 4.38Å; P323-Y328 HydrophobicContact CB-CE1 4.19Å; P323-Y328 HydrophobicContact CB-CE2 4.47Å; P323-Y328 HydrophobicContact CG-CE1 4.4Å; P323-Y328 HydrophobicContact CG-CE2 4.1Å
324	T	91.6	Very high	91.4	Very high	124 Å²	124	65.9 Å²	65.9	76%	0.761	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.4	177.3	52.5	0	0	0	0	113.3	Q322	Q322-T324 PolarHBondContact O-N 2.99Å
325	S	94.6	Very high	91.2	Very high	7 Å²	7	66.4 Å²	66.4	5%	0.049	38%	0.375	C	S	.	.	S	Bend	trans	-79.3	141.9	179.1	175.4	0	0	0	0	111.6	N317 G318 N319 Q322 P323 H327 Y328	N317-S325 CarbonylContact O-C 3.59Å; N317-S325 WeakPolarHBondContact O-CA 3.5Å; N317-S325 WeakPolarHBondContact O-CB 3.11Å; N317-S325 PolarHBondContact O-OG 2.86Å; G318-S325 PolarHBondContact O-OG 3.12Å; G318-S325 VanDerWaalsContact O-OG 3.07Å; N319-S325 WeakPolarHBondContact O-CB 3.49Å; Q322-S325 WeakPolarHBondContact O-CB 3.29Å; Q322-S325 PolarHBondContact O-N 3.09Å; P323-S325 VanDerWaalsContact C-N 3.31Å; S325-H327 PolarHBondContact O-N 2.97Å; S325-H327 PolarHBondContact OG-N 3.11Å; S325-H327 VanDerWaalsContact OG-N 3.08Å; S325-Y328 VanDerWaalsContact O-CB 3.24Å; S325-Y328 WeakPolarHBondContact O-CB 3.42Å; S325-Y328 PolarHBondContact O-N 3.33Å
326	L	94.4	Very high	91.1	Very high	32 Å²	32	65.4 Å²	65.4	17%	0.168	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.7	172.1	-59.6	177.1	0	0	0	112.2	N317 N335 Y337 D444 V472	N317-L326 HydrophobicContact CB-CB 4.38Å; N317-L326 PolarHBondContact O-N 3.05Å; N317-L326 WeakPolarHBondContact OD1-CD1 3.34Å; L326-N335 WeakPolarHBondContact O-CB 3.45Å; L326-Y337 HydrophobicContact CB-CD2 4.38Å; L326-Y337 HydrophobicContact CB-CE2 3.84Å; L326-D444 HydrophobicContact CD1-CB 3.49Å; L326-D444 VanDerWaalsContact CD1-CB 3.49Å; L326-V472 HydrophobicContact CD1-CG2 4.45Å
327	H	96.1	Very high	91.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	11.9	172.2	-68.8	-55.9	0	0	0	113.8	D312 N317 P320 S325 M329 N335 Y337 Y397 L401	D312-H327 PolarHBondContact O-CE1 3.46Å; D312-H327 PolarHBondContact O-NE2 2.96Å; N317-H327 VanDerWaalsContact CB-CD2 3.48Å; N317-H327 WeakPolarHBondContact CB-CD2 3.37Å; P320-H327 HydrophobicContact CB-CB 4.13Å; P320-H327 HydrophobicContact CG-CB 4.09Å; S325-H327 PolarHBondContact O-N 2.97Å; S325-H327 PolarHBondContact OG-N 3.11Å; S325-H327 VanDerWaalsContact OG-N 3.08Å; H327-M329 PolarHBondContact O-N 2.89Å; H327-N335 PolarHBondContact O-ND2 3.3Å; H327-Y337 AromaticContact CE1-CD1 3.96Å; H327-Y337 AromaticContact CE1-CD2 3.5Å; H327-Y337 VanDerWaalsContact CE1-CD2 3.5Å; H327-Y337 WeakPolarHBondContact CE1-CD2 3.47Å; H327-Y337 AromaticContact CE1-CE1 3.84Å; H327-Y337 AromaticContact CE1-CE2 3.35Å; H327-Y337 WeakPolarHBondContact CE1-CE2 3.35Å; H327-Y337 AromaticContact CE1-CG 3.81Å; H327-Y337 AromaticContact CE1-CZ 3.55Å; H327-Y337 AromaticContact ND1-CD2 3.44Å; H327-Y337 WeakPolarHBondContact ND1-CD2 3.04Å; H327-Y337 AromaticContact ND1-CE2 3.66Å; H327-Y337 AromaticContact ND1-CG 3.89Å; H327-Y337 AromaticContact NE2-CE2 3.91Å; H327-Y397 AromaticContact ND1-CE2 3.72Å; H327-Y397 AromaticContact ND1-CZ 3.7Å; H327-Y397 PolarHBondContact ND1-OH 2.86Å; H327-L401 HydrophobicContact CB-CD1 4.05Å; H327-L401 HydrophobicContact CB-CD2 3.78Å
328	Y	94.9	Very high	91.2	Very high	73 Å²	73	62 Å²	62	29%	0.286	34%	0.338	S	S	.	.			trans	-55.8	126.2	-175.9	-179.7	-121.4	0	0	0	111.7	Q322 P323 S325 S330 N335	Q322-Y328 VanDerWaalsContact C-CD2 3.44Å; Q322-Y328 VanDerWaalsContact O-CD2 3.26Å; Q322-Y328 WeakPolarHBondContact O-CD2 3.26Å; P323-Y328 HydrophobicContact CB-CD1 4.38Å; P323-Y328 HydrophobicContact CB-CE1 4.19Å; P323-Y328 HydrophobicContact CB-CE2 4.47Å; P323-Y328 HydrophobicContact CG-CE1 4.4Å; P323-Y328 HydrophobicContact CG-CE2 4.1Å; S325-Y328 VanDerWaalsContact O-CB 3.24Å; S325-Y328 WeakPolarHBondContact O-CB 3.42Å; S325-Y328 PolarHBondContact O-N 3.33Å; Y328-S330 PolarHBondContact O-N 2.62Å; Y328-N335 PolarHBondContact O-ND2 2.83Å; Y328-N335 VanDerWaalsContact O-ND2 3.08Å
329	M	90.3	Very high	91.2	Very high	62 Å²	62	61.1 Å²	61.1	31%	0.305	33%	0.326	S	S	.	.			trans	-88.9	76.2	178.9	-72.1	-178.7	-93.5	0	0	110.1	P320 H327 Y398 L401 K402	P320-M329 HydrophobicContact CB-CE 4.24Å; H327-M329 PolarHBondContact O-N 2.89Å; M329-Y398 HydrophobicContact CG-CD1 3.73Å; M329-Y398 HydrophobicContact CG-CE1 3.95Å; M329-Y398 HydrophobicContact SD-CD1 3.84Å; M329-L401 HydrophobicContact CE-CB 3.96Å; M329-L401 HydrophobicContact CE-CD1 4.46Å; M329-L401 HydrophobicContact CG-CD1 4.49Å; M329-K402 HydrophobicContact CE-CG 4.2Å
330	S	86.8	Confident	91.3	Very high	37 Å²	37	57 Å²	57	26%	0.259	30%	0.304	S	S	.	.			trans	-69.8	138.4	174.8	173.5	0	0	0	0	111	Y328 Y332 Q333	Y328-S330 PolarHBondContact O-N 2.62Å; S330-Y332 PolarHBondContact O-N 3.01Å; S330-Y332 PolarHBondContact OG-N 2.85Å; S330-Q333 WeakPolarHBondContact CB-O 3.37Å; S330-Q333 PolarHBondContact OG-N 2.71Å
331	P	85.3	Confident	91.4	Very high	105 Å²	105	56.3 Å²	56.3	68%	0.682	30%	0.3	S	S	*	.	S	Bend	trans	-73.7	-10.6	174.5	29.3	-33.3	0	0	0	113.4
332	Y	83.3	Confident	91.5	Very high	212 Å²	212	55.4 Å²	55.4	83%	0.831	28%	0.281	S	S	*	.	S	Bend	trans	-115.2	-25	-173.3	-58	-66.6	0	0	0	114.2	S330	S330-Y332 PolarHBondContact O-N 3.01Å; S330-Y332 PolarHBondContact OG-N 2.85Å
333	Q	84.8	Confident	91.5	Very high	114 Å²	114	50.8 Å²	50.8	53%	0.533	26%	0.26	S	S	.	.	S	Bend	trans	-138.8	145.8	-173.3	-70.3	-179.2	-4.5	0	0	110.6	S330	S330-Q333 WeakPolarHBondContact CB-O 3.37Å; S330-Q333 PolarHBondContact OG-N 2.71Å
334	L	89.1	Confident	91.6	Very high	57 Å²	57	46.1 Å²	46.1	30%	0.298	23%	0.23	S	C	.	.			trans	-73.1	143.1	170.2	-61.9	179	0	0	0	109.1	A338 M339 M394 Y398	L334-A338 HydrophobicContact CB-CB 3.9Å; L334-A338 HydrophobicContact CD2-CB 4.11Å; L334-A338 HydrophobicContact CG-CB 4.44Å; L334-M339 HydrophobicContact CB-CG 3.67Å; L334-M394 HydrophobicContact CD2-CE 4.09Å; L334-Y398 WeakPolarHBondContact CD2-OH 3.3Å
335	N	92.6	Very high	91.7	Very high	14 Å²	14	40.2 Å²	40.2	8%	0.075	19%	0.194	C	C	.	.			trans	-76.6	172.2	168.1	60.6	46.9	0	0	0	111.5	L326 H327 Y328 Y337 A338 M339 Y397	L326-N335 WeakPolarHBondContact O-CB 3.45Å; H327-N335 PolarHBondContact O-ND2 3.3Å; Y328-N335 PolarHBondContact O-ND2 2.83Å; Y328-N335 VanDerWaalsContact O-ND2 3.08Å; N335-Y337 VanDerWaalsContact C-N 3.33Å; N335-Y337 PolarHBondContact O-N 3.34Å; N335-Y337 PolarHBondContact OD1-N 2.62Å; N335-A338 PolarHBondContact O-N 3.31Å; N335-A338 VanDerWaalsContact O-N 3.09Å; N335-A338 WeakPolarHBondContact OD1-CB 3.3Å; N335-A338 PolarHBondContact OD1-N 3.08Å; N335-M339 WeakPolarHBondContact O-CG 3.38Å; N335-M339 PolarHBondContact O-N 2.75Å; N335-Y397 PolarHBondContact ND2-OH 3.34Å; N335-Y397 PolarHBondContact OD1-OH 3.42Å
336	D	91.9	Very high	91.6	Very high	35 Å²	35	41.8 Å²	41.8	19%	0.187	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-42.9	-174.1	-68.7	-8	0	0	0	112.9	M339 A340 V472 F507	D336-M339 PolarHBondContact O-N 3.43Å; D336-M339 WeakPolarHBondContact OD1-CE 3.44Å; D336-A340 WeakPolarHBondContact O-CB 3.49Å; D336-A340 PolarHBondContact O-N 3.04Å; D336-V472 HydrophobicContact CB-CB 3.9Å; D336-V472 HydrophobicContact CB-CG1 3.85Å; D336-F507 HydrophobicContact CB-CD1 3.82Å; D336-F507 HydrophobicContact CB-CE1 3.92Å
337	Y	95.4	Very high	91.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-51	173	-72.1	-89.5	0	0	0	111.8	I311 D312 N317 L326 H327 N335 M339 A340 L341 Y397 I442 D444 V472	I311-Y337 HydrophobicContact CG2-CD1 3.74Å; I311-Y337 HydrophobicContact CG2-CE1 4.04Å; D312-Y337 HydrophobicContact CB-CE1 4.17Å; N317-Y337 VanDerWaalsContact CG-OH 3.3Å; N317-Y337 PolarHBondContact ND2-OH 2.84Å; N317-Y337 WeakPolarHBondContact OD1-CE2 3.48Å; N317-Y337 VanDerWaalsContact OD1-CZ 3.29Å; N317-Y337 PolarHBondContact OD1-OH 3.38Å; L326-Y337 HydrophobicContact CB-CD2 4.38Å; L326-Y337 HydrophobicContact CB-CE2 3.84Å; H327-Y337 AromaticContact CE1-CD1 3.96Å; H327-Y337 AromaticContact CE1-CD2 3.5Å; H327-Y337 VanDerWaalsContact CE1-CD2 3.5Å; H327-Y337 WeakPolarHBondContact CE1-CD2 3.47Å; H327-Y337 AromaticContact CE1-CE1 3.84Å; H327-Y337 AromaticContact CE1-CE2 3.35Å; H327-Y337 WeakPolarHBondContact CE1-CE2 3.35Å; H327-Y337 AromaticContact CE1-CG 3.81Å; H327-Y337 AromaticContact CE1-CZ 3.55Å; H327-Y337 AromaticContact ND1-CD2 3.44Å; H327-Y337 WeakPolarHBondContact ND1-CD2 3.04Å; H327-Y337 AromaticContact ND1-CE2 3.66Å; H327-Y337 AromaticContact ND1-CG 3.89Å; H327-Y337 AromaticContact NE2-CE2 3.91Å; N335-Y337 VanDerWaalsContact C-N 3.33Å; N335-Y337 PolarHBondContact O-N 3.34Å; N335-Y337 PolarHBondContact OD1-N 2.62Å; Y337-M339 VanDerWaalsContact C-N 3.32Å; Y337-M339 PolarHBondContact O-N 3.48Å; Y337-A340 PolarHBondContact O-N 3.35Å; Y337-L341 WeakPolarHBondContact O-CB 3.35Å; Y337-L341 WeakPolarHBondContact O-CG 3.44Å; Y337-L341 PolarHBondContact O-N 3.1Å; Y337-Y397 WeakPolarHBondContact CB-OH 3.33Å; Y337-I442 HydrophobicContact CD1-CB 3.78Å; Y337-I442 HydrophobicContact CD1-CG2 3.32Å; Y337-I442 HydrophobicContact CE1-CB 3.98Å; Y337-I442 HydrophobicContact CE1-CG2 3.56Å; Y337-I442 WeakPolarHBondContact CE1-O 3.43Å; Y337-I442 HydrophobicContact CG-CG2 4.15Å; Y337-D444 PolarHBondContact OH-N 3.47Å; Y337-V472 HydrophobicContact CD1-CG2 4.48Å; Y337-V472 HydrophobicContact CD2-CG2 4.05Å; Y337-V472 HydrophobicContact CE1-CG2 3.97Å; Y337-V472 HydrophobicContact CE2-CG2 3.48Å; Y337-V472 VanDerWaalsContact CE2-CG2 3.48Å; Y337-V472 VanDerWaalsContact CZ-CG2 3.41Å
338	A	94.4	Very high	91.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-35.6	-179.6	0	0	0	0	0	113	L334 N335 R342 M394 Y397 Y398	L334-A338 HydrophobicContact CB-CB 3.9Å; L334-A338 HydrophobicContact CD2-CB 4.11Å; L334-A338 HydrophobicContact CG-CB 4.44Å; N335-A338 PolarHBondContact O-N 3.31Å; N335-A338 VanDerWaalsContact O-N 3.09Å; N335-A338 WeakPolarHBondContact OD1-CB 3.3Å; N335-A338 PolarHBondContact OD1-N 3.08Å; A338-R342 VanDerWaalsContact O-CB 3.31Å; A338-R342 WeakPolarHBondContact O-CB 3.32Å; A338-R342 PolarHBondContact O-N 3.03Å; A338-R342 VanDerWaalsContact O-N 3.11Å; A338-M394 HydrophobicContact CB-CE 3.51Å; A338-M394 HydrophobicContact CB-SD 4.24Å; A338-Y397 HydrophobicContact CB-CE1 4.34Å; A338-Y398 VanDerWaalsContact CB-OH 3.3Å; A338-Y398 WeakPolarHBondContact CB-OH 3.16Å
339	M	92.1	Very high	91.2	Very high	9 Å²	9	38.7 Å²	38.7	4%	0.044	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-47.1	174.2	-74.2	-169.1	-80.4	0	0	111.4	L334 N335 D336 Y337 R342 A343 F507 H517 M521	L334-M339 HydrophobicContact CB-CG 3.67Å; N335-M339 WeakPolarHBondContact O-CG 3.38Å; N335-M339 PolarHBondContact O-N 2.75Å; D336-M339 PolarHBondContact O-N 3.43Å; D336-M339 WeakPolarHBondContact OD1-CE 3.44Å; Y337-M339 VanDerWaalsContact C-N 3.32Å; Y337-M339 PolarHBondContact O-N 3.48Å; M339-R342 PolarHBondContact O-N 2.78Å; M339-A343 VanDerWaalsContact O-CB 3.25Å; M339-A343 WeakPolarHBondContact O-CB 3.45Å; M339-A343 PolarHBondContact O-N 2.68Å; M339-F507 HydrophobicContact CB-CE1 4.06Å; M339-F507 HydrophobicContact CB-CZ 3.71Å; M339-F507 HydrophobicContact CE-CE1 3.8Å; M339-F507 HydrophobicContact CE-CZ 4.09Å; M339-F507 HydrophobicContact SD-CE1 4.46Å; M339-F507 HydrophobicContact SD-CZ 4.15Å; M339-H517 HydrophobicContact SD-CB 4.27Å; M339-H517 PolarHBondContact SD-ND1 2.94Å; M339-H517 VanDerWaalsContact SD-ND1 3.44Å; M339-M521 HydrophobicContact CB-CG 4.45Å
340	A	93.4	Very high	91.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-46.8	178.4	0	0	0	0	0	112.1	D336 Y337 R342 A343 I344 I442 V470 L524	D336-A340 WeakPolarHBondContact O-CB 3.49Å; D336-A340 PolarHBondContact O-N 3.04Å; Y337-A340 PolarHBondContact O-N 3.35Å; A340-R342 VanDerWaalsContact C-N 3.32Å; A340-R342 PolarHBondContact O-N 2.97Å; A340-A343 PolarHBondContact O-N 2.9Å; A340-I344 PolarHBondContact O-N 2.9Å; A340-I344 VanDerWaalsContact O-N 3.09Å; A340-I442 HydrophobicContact CB-CD1 4.01Å; A340-V470 HydrophobicContact CB-CG1 3.95Å; A340-L524 HydrophobicContact CB-CD2 3.9Å
341	L	94.8	Very high	91.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-53.7	-49.5	174.7	-74.7	169.2	0	0	0	111.7	V309 I311 Y337 G345 V393 M394 Y397 L440 I442	V309-L341 HydrophobicContact CB-CD2 4.42Å; V309-L341 HydrophobicContact CG1-CD2 3.28Å; V309-L341 HydrophobicContact CG2-CD2 4.28Å; I311-L341 HydrophobicContact CD1-CD1 3.6Å; I311-L341 HydrophobicContact CD1-CD2 4.12Å; I311-L341 HydrophobicContact CD1-CG 4.39Å; I311-L341 HydrophobicContact CG1-CD1 4.5Å; I311-L341 HydrophobicContact CG1-CD2 4.35Å; Y337-L341 WeakPolarHBondContact O-CB 3.35Å; Y337-L341 WeakPolarHBondContact O-CG 3.44Å; Y337-L341 PolarHBondContact O-N 3.1Å; L341-G345 WeakPolarHBondContact O-CA 3.17Å; L341-G345 PolarHBondContact O-N 3.34Å; L341-V393 HydrophobicContact CD2-CG1 4.47Å; L341-M394 HydrophobicContact CB-SD 3.86Å; L341-M394 HydrophobicContact CD1-SD 3.88Å; L341-Y397 HydrophobicContact CD1-CD1 4.33Å; L341-Y397 HydrophobicContact CD1-CG 4.4Å; L341-L440 HydrophobicContact CD2-CD2 4.31Å; L341-I442 HydrophobicContact CB-CD1 4.49Å; L341-I442 HydrophobicContact CD2-CD1 3.54Å; L341-I442 HydrophobicContact CG-CD1 3.52Å
342	R	92.9	Very high	91.7	Very high	80 Å²	80	30.6 Å²	30.6	30%	0.302	14%	0.137	S	C	.	.	H	α-helix	trans	-69.3	-42.1	-178.3	-174.2	169.2	-92.6	-152.4	-11.3	111.5	A338 M339 A340 I344 E346 D391 M521	A338-R342 VanDerWaalsContact O-CB 3.31Å; A338-R342 WeakPolarHBondContact O-CB 3.32Å; A338-R342 PolarHBondContact O-N 3.03Å; A338-R342 VanDerWaalsContact O-N 3.11Å; M339-R342 PolarHBondContact O-N 2.78Å; A340-R342 VanDerWaalsContact C-N 3.32Å; A340-R342 PolarHBondContact O-N 2.97Å; R342-I344 PolarHBondContact O-N 3.06Å; R342-E346 VanDerWaalsContact CD-OE1 3.27Å; R342-E346 WeakPolarHBondContact CD-OE1 3.09Å; R342-E346 HydrophobicContact CG-CG 3.9Å; R342-E346 WeakPolarHBondContact CG-OE1 3.39Å; R342-E346 IonicContact NE-OE1 3.46Å; R342-E346 WeakPolarHBondContact O-CB 3.49Å; R342-E346 WeakPolarHBondContact O-CG 3.21Å; R342-E346 PolarHBondContact O-N 2.96Å; R342-D391 IonicContact NH2-OD1 2.81Å; R342-D391 PolarHBondContact NH2-OD1 3.26Å; R342-M521 HydrophobicContact CB-CE 4.36Å; R342-M521 HydrophobicContact CG-CE 4Å
343	A	91.4	Very high	91.8	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.041	13%	0.126	C	C	.	.	H	α-helix	trans	-58.6	-48.7	-179.4	0	0	0	0	0	112.5	M339 A340 M521 L524 A525	M339-A343 VanDerWaalsContact O-CB 3.25Å; M339-A343 WeakPolarHBondContact O-CB 3.45Å; M339-A343 PolarHBondContact O-N 2.68Å; A340-A343 PolarHBondContact O-N 2.9Å; A343-M521 HydrophobicContact CB-CB 3.76Å; A343-M521 HydrophobicContact CB-CE 4.32Å; A343-M521 HydrophobicContact CB-CG 4Å; A343-L524 HydrophobicContact CB-CD2 4.13Å; A343-A525 HydrophobicContact CB-CB 4.44Å
344	I	93.3	Very high	91.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-81.4	-49	-174.9	-65.6	161.2	0	0	0	110.4	F307 A340 R342 E346 I347 I348 L440 I468 V470 L524 V528 L529	F307-I344 HydrophobicContact CE2-CG2 4.24Å; F307-I344 HydrophobicContact CZ-CG2 4.13Å; A340-I344 PolarHBondContact O-N 2.9Å; A340-I344 VanDerWaalsContact O-N 3.09Å; R342-I344 PolarHBondContact O-N 3.06Å; I344-E346 VanDerWaalsContact C-N 3.27Å; I344-E346 PolarHBondContact O-N 3.06Å; I344-I347 PolarHBondContact O-N 3.29Å; I344-I348 HydrophobicContact CG2-CD1 3.54Å; I344-I348 HydrophobicContact CG2-CG1 4.28Å; I344-I348 PolarHBondContact O-N 2.99Å; I344-I348 VanDerWaalsContact O-N 3.14Å; I344-L440 HydrophobicContact CB-CD2 4.21Å; I344-L440 HydrophobicContact CD1-CD1 3.7Å; I344-L440 HydrophobicContact CD1-CD2 3.98Å; I344-L440 HydrophobicContact CG2-CD2 4.12Å; I344-I468 HydrophobicContact CD1-CG2 4.49Å; I344-V470 HydrophobicContact CD1-CG2 3.61Å; I344-L524 HydrophobicContact CD1-CD2 4.5Å; I344-V528 HydrophobicContact CD1-CB 4.43Å; I344-V528 HydrophobicContact CD1-CG1 3.73Å; I344-V528 HydrophobicContact CD1-CG2 4.32Å; I344-V528 HydrophobicContact CG1-CB 4.46Å; I344-V528 HydrophobicContact CG1-CG1 3.9Å; I344-L529 HydrophobicContact CG2-CD2 4.25Å
345	G	93.7	Very high	92.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-35.9	-176.3	0	0	0	0	0	112.7	L341 I347 Q349 I390	L341-G345 WeakPolarHBondContact O-CA 3.17Å; L341-G345 PolarHBondContact O-N 3.34Å; G345-I347 PolarHBondContact O-N 3.46Å; G345-Q349 WeakPolarHBondContact O-CB 3.41Å; G345-Q349 VanDerWaalsContact O-CG 3.3Å; G345-Q349 WeakPolarHBondContact O-CG 3.32Å; G345-Q349 PolarHBondContact O-N 3.36Å; G345-Q349 VanDerWaalsContact O-N 3.1Å; G345-I390 WeakPolarHBondContact O-CG1 3.14Å
346	E	91.9	Very high	92.2	Very high	41 Å²	41	26.4 Å²	26.4	19%	0.192	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-23.5	-178.7	-84.3	-173.1	-173	0	0	113.5	R83 R342 I344 Q349	R83-E346 IonicContact CZ-OE2 3.56Å; R83-E346 IonicContact NE-OE2 2.76Å; R83-E346 IonicContact NH1-OE1 3.09Å; R83-E346 IonicContact NH1-OE2 3.05Å; R83-E346 PolarHBondContact NH1-OE2 3.44Å; R342-E346 VanDerWaalsContact CD-OE1 3.27Å; R342-E346 WeakPolarHBondContact CD-OE1 3.09Å; R342-E346 HydrophobicContact CG-CG 3.9Å; R342-E346 WeakPolarHBondContact CG-OE1 3.39Å; R342-E346 IonicContact NE-OE1 3.46Å; R342-E346 WeakPolarHBondContact O-CB 3.49Å; R342-E346 WeakPolarHBondContact O-CG 3.21Å; R342-E346 PolarHBondContact O-N 2.96Å; I344-E346 VanDerWaalsContact C-N 3.27Å; I344-E346 PolarHBondContact O-N 3.06Å; E346-Q349 PolarHBondContact O-NE2 2.86Å
347	I	92.3	Very high	92.4	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-92.3	-52	179.8	-61.6	175.8	0	0	0	110.2	F80 E81 R83 I344 G345 Q349 D350 Y351 A525 L529	F80-I347 WeakPolarHBondContact O-CG2 3.17Å; E81-I347 VanDerWaalsContact O-CD1 3.28Å; E81-I347 WeakPolarHBondContact O-CD1 3.41Å; R83-I347 HydrophobicContact CB-CG1 4.01Å; I344-I347 PolarHBondContact O-N 3.29Å; G345-I347 PolarHBondContact O-N 3.46Å; I347-Q349 VanDerWaalsContact C-N 3.26Å; I347-Q349 PolarHBondContact O-N 3.29Å; I347-D350 PolarHBondContact O-N 3.38Å; I347-Y351 HydrophobicContact CG2-CE2 4.47Å; I347-Y351 WeakPolarHBondContact O-CD2 3.24Å; I347-Y351 WeakPolarHBondContact O-CE2 3.19Å; I347-A525 HydrophobicContact CD1-CB 3.62Å; I347-L529 HydrophobicContact CB-CD1 3.89Å; I347-L529 HydrophobicContact CD1-CD1 3.87Å; I347-L529 HydrophobicContact CG1-CD1 4.49Å; I347-L529 HydrophobicContact CG2-CD1 3.7Å
348	I	91.8	Very high	92.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-35.6	-175.8	-63.2	176.7	0	0	0	111.4	I305 F307 I344 D350 Y351 I438 I468 L529	I305-I348 HydrophobicContact CG2-CG2 4.09Å; F307-I348 HydrophobicContact CB-CG2 3.76Å; F307-I348 HydrophobicContact CD2-CB 4.38Å; F307-I348 HydrophobicContact CD2-CD1 3.65Å; F307-I348 HydrophobicContact CD2-CG2 3.94Å; F307-I348 HydrophobicContact CE2-CD1 3.53Å; F307-I348 HydrophobicContact CG-CB 4.41Å; F307-I348 HydrophobicContact CG-CD1 4.47Å; F307-I348 HydrophobicContact CG-CG2 3.89Å; F307-I348 HydrophobicContact CZ-CD1 4.27Å; I344-I348 HydrophobicContact CG2-CD1 3.54Å; I344-I348 HydrophobicContact CG2-CG1 4.28Å; I344-I348 PolarHBondContact O-N 2.99Å; I344-I348 VanDerWaalsContact O-N 3.14Å; I348-D350 PolarHBondContact O-N 2.83Å; I348-Y351 PolarHBondContact O-N 3.09Å; I348-I438 HydrophobicContact CD1-CD1 4.01Å; I348-I438 HydrophobicContact CD1-CG2 4.02Å; I348-I438 HydrophobicContact CG1-CD1 4.49Å; I348-I438 HydrophobicContact CG2-CD1 4.38Å; I348-I468 HydrophobicContact CD1-CD1 4.46Å; I348-L529 HydrophobicContact CD1-CD2 3.8Å; I348-L529 HydrophobicContact CG1-CD1 4.48Å; I348-L529 HydrophobicContact CG1-CD2 3.92Å
349	Q	93.3	Very high	92.5	Very high	31 Å²	31	25.7 Å²	25.7	15%	0.145	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-58.4	-19.3	-177.9	69.9	176.7	-34.4	0	0	114.5	G345 E346 I347 Y351 K355 F357 I390	G345-Q349 WeakPolarHBondContact O-CB 3.41Å; G345-Q349 VanDerWaalsContact O-CG 3.3Å; G345-Q349 WeakPolarHBondContact O-CG 3.32Å; G345-Q349 PolarHBondContact O-N 3.36Å; G345-Q349 VanDerWaalsContact O-N 3.1Å; E346-Q349 PolarHBondContact O-NE2 2.86Å; I347-Q349 VanDerWaalsContact C-N 3.26Å; I347-Q349 PolarHBondContact O-N 3.29Å; Q349-Y351 PolarHBondContact O-N 3.3Å; Q349-K355 PolarHBondContact O-NZ 3.47Å; Q349-F357 HydrophobicContact CB-CE2 3.8Å; Q349-F357 HydrophobicContact CB-CZ 3.5Å; Q349-F357 VanDerWaalsContact CB-CZ 3.5Å; Q349-I390 HydrophobicContact CB-CG1 4.44Å
350	D	92.4	Very high	92.7	Very high	19 Å²	19	25.5 Å²	25.5	10%	0.102	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-76.5	-12.9	178.7	-73.3	-16.2	0	0	0	112.7	T114 I347 I348 K355	T114-D350 PolarHBondContact OG1-OD2 3.4Å; I347-D350 PolarHBondContact O-N 3.38Å; I348-D350 PolarHBondContact O-N 2.83Å; D350-K355 IonicContact OD1-NZ 3.28Å; D350-K355 PolarHBondContact OD1-NZ 3.09Å
351	Y	91.3	Very high	92.9	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.035	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-106.8	4.1	178.7	-53.1	-87.1	0	0	0	113	Y78 F80 V119 F295 I299 I305 I347 I348 Q349	Y78-Y351 WeakPolarHBondContact CE2-OH 3.14Å; Y78-Y351 WeakPolarHBondContact OH-CE1 3.42Å; Y78-Y351 PolarHBondContact OH-OH 3.14Å; F80-Y351 HydrophobicContact CD2-CE1 4.26Å; F80-Y351 AromaticContact CD2-CE2 3.91Å; F80-Y351 HydrophobicContact CD2-CE2 3.91Å; F80-Y351 AromaticContact CD2-CZ 3.75Å; F80-Y351 AromaticContact CE2-CD2 3.93Å; F80-Y351 HydrophobicContact CE2-CD2 3.93Å; F80-Y351 HydrophobicContact CE2-CE1 4.38Å; F80-Y351 AromaticContact CE2-CE2 3.69Å; F80-Y351 HydrophobicContact CE2-CE2 3.69Å; F80-Y351 HydrophobicContact CE2-CG 4.39Å; F80-Y351 AromaticContact CE2-CZ 3.94Å; V119-Y351 HydrophobicContact CG2-CE1 3.94Å; F295-Y351 HydrophobicContact CE1-CD1 4.44Å; F295-Y351 HydrophobicContact CE1-CE1 4.28Å; I299-Y351 HydrophobicContact CD1-CD1 4.28Å; I299-Y351 HydrophobicContact CG1-CD1 4.32Å; I299-Y351 HydrophobicContact CG2-CD1 4.16Å; I305-Y351 PolarHBondContact N-O 3.2Å; I347-Y351 HydrophobicContact CG2-CE2 4.47Å; I347-Y351 WeakPolarHBondContact O-CD2 3.24Å; I347-Y351 WeakPolarHBondContact O-CE2 3.19Å; I348-Y351 PolarHBondContact O-N 3.09Å; Q349-Y351 PolarHBondContact O-N 3.3Å
352	D	89.4	Confident	93	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.032	13%	0.132	C	C	.	.			trans	-107.8	126.4	171.4	-168.1	-51.6	0	0	0	108.9	I305 D354 K355 F357	I305-D352 WeakPolarHBondContact O-CB 3.48Å; D352-D354 PolarHBondContact OD1-N 3.17Å; D352-K355 WeakPolarHBondContact O-CG 3.18Å; D352-K355 PolarHBondContact OD1-N 3.48Å; D352-F357 HydrophobicContact CB-CE1 3.74Å; D352-F357 HydrophobicContact CB-CZ 4.23Å; D352-F357 WeakPolarHBondContact OD2-CE1 3.4Å
353	S	85.4	Confident	93.1	Very high	87 Å²	87	21.6 Å²	21.6	61%	0.608	12%	0.118	S	C	*	.	S	Bend	trans	-79.2	-32.4	-172.9	73	0	0	0	0	113.9	Q304	Q304-S353 PolarHBondContact NE2-OG 3.16Å; Q304-S353 PolarHBondContact OE1-OG 3.32Å
354	D	88.1	Confident	93.3	Very high	84 Å²	84	21.4 Å²	21.4	45%	0.449	12%	0.116	S	C	.	.	S	Bend	trans	-95.7	-19.3	-179.2	70.8	21.2	0	0	0	112.2	D352 L356	D352-D354 PolarHBondContact OD1-N 3.17Å; D354-L356 HydrophobicContact CB-CD1 4.39Å; D354-L356 HydrophobicContact CB-CG 4.29Å; D354-L356 PolarHBondContact O-N 2.94Å; D354-L356 WeakPolarHBondContact OD1-CB 3.26Å; D354-L356 PolarHBondContact OD1-N 3.26Å
355	K	93	Very high	93.4	Very high	67 Å²	67	23.8 Å²	23.8	29%	0.291	13%	0.126	S	C	.	.			trans	54.4	34.4	-178.6	-57.2	177.4	-178.5	-80.8	0	111.3	Q349 D350 D352 F357 G389	Q349-K355 PolarHBondContact O-NZ 3.47Å; D350-K355 IonicContact OD1-NZ 3.28Å; D350-K355 PolarHBondContact OD1-NZ 3.09Å; D352-K355 WeakPolarHBondContact O-CG 3.18Å; D352-K355 PolarHBondContact OD1-N 3.48Å; K355-F357 HydrophobicContact CB-CE2 4.42Å; K355-F357 HydrophobicContact CB-CZ 4.07Å; K355-G389 PolarHBondContact O-N 3.4Å
356	L	94.1	Very high	93.3	Very high	71 Å²	71	25.8 Å²	25.8	37%	0.372	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.6	175	-65.4	178.7	0	0	0	108.7	D354 Y386 C387	D354-L356 HydrophobicContact CB-CD1 4.39Å; D354-L356 HydrophobicContact CB-CG 4.29Å; D354-L356 PolarHBondContact O-N 2.94Å; D354-L356 WeakPolarHBondContact OD1-CB 3.26Å; D354-L356 PolarHBondContact OD1-N 3.26Å; L356-Y386 HydrophobicContact CB-CD1 3.78Å; L356-Y386 HydrophobicContact CB-CG 4.42Å; L356-Y386 WeakPolarHBondContact O-CD1 3.44Å; L356-C387 WeakPolarHBondContact CA-O 3.35Å
357	F	95.3	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.6	-172.8	-53.3	-47.1	0	0	0	111.3	F307 Q349 D352 K355 A359 Y386 C387 I390 V393	F307-F357 HydrophobicContact CB-CD1 3.67Å; F307-F357 HydrophobicContact CB-CE1 3.83Å; F307-F357 HydrophobicContact CB-CG 4.43Å; F307-F357 HydrophobicContact CD1-CD1 4.18Å; F307-F357 HydrophobicContact CD1-CD2 4.44Å; F307-F357 HydrophobicContact CD1-CE1 4.5Å; F307-F357 HydrophobicContact CD1-CG 4.15Å; F307-F357 HydrophobicContact CG-CD1 4.43Å; F307-F357 WeakPolarHBondContact O-CD1 3.37Å; Q349-F357 HydrophobicContact CB-CE2 3.8Å; Q349-F357 HydrophobicContact CB-CZ 3.5Å; Q349-F357 VanDerWaalsContact CB-CZ 3.5Å; D352-F357 HydrophobicContact CB-CE1 3.74Å; D352-F357 HydrophobicContact CB-CZ 4.23Å; D352-F357 WeakPolarHBondContact OD2-CE1 3.4Å; K355-F357 HydrophobicContact CB-CE2 4.42Å; K355-F357 HydrophobicContact CB-CZ 4.07Å; F357-A359 PolarHBondContact O-N 2.67Å; F357-Y386 WeakPolarHBondContact O-CA 3.34Å; F357-C387 PolarHBondContact N-O 3.25Å; F357-C387 PolarHBondContact O-N 3.33Å; F357-I390 HydrophobicContact CD2-CD1 3.79Å; F357-I390 HydrophobicContact CE2-CD1 3.8Å; F357-I390 HydrophobicContact CE2-CG1 4.17Å; F357-V393 HydrophobicContact CB-CG2 3.87Å; F357-V393 HydrophobicContact CD2-CG2 4.26Å
358	P	95.7	Very high	92.9	Very high	20 Å²	20	33.8 Å²	33.8	13%	0.13	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	125.2	167	-21.3	33.2	0	0	0	110	F307 T308 V309 P385 Y386	F307-P358 WeakPolarHBondContact O-CD 3.47Å; T308-P358 HydrophobicContact CG2-CB 4.08Å; V309-P358 PolarHBondContact N-O 3.49Å; P358-P385 WeakPolarHBondContact CA-O 3.25Å; P358-P385 HydrophobicContact CB-CG 4.27Å; P358-Y386 HydrophobicContact CG-CD1 3.83Å; P358-Y386 HydrophobicContact CG-CE1 3.54Å; P358-Y386 HydrophobicContact CG-CE2 4.47Å; P358-Y386 HydrophobicContact CG-CG 4.43Å
359	A	96.6	Very high	92.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115	179.2	0	0	0	0	0	109.7	F357 L378 P385 V393	F357-A359 PolarHBondContact O-N 2.67Å; A359-L378 HydrophobicContact CB-CB 4.13Å; A359-L378 HydrophobicContact CB-CD1 3.98Å; A359-L378 HydrophobicContact CB-CG 4.19Å; A359-L378 PolarHBondContact O-N 3.04Å; A359-P385 PolarHBondContact N-O 3.31Å; A359-P385 VanDerWaalsContact N-O 3.13Å; A359-V393 HydrophobicContact CB-CG1 4.06Å; A359-V393 HydrophobicContact CB-CG2 4.28Å
360	L	97.3	Very high	92.4	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.8	-175.1	-55.7	176.5	0	0	0	110.5	T308 V309 A310 I311 E375 F376 P385	T308-L360 HydrophobicContact CG2-CD1 4.33Å; V309-L360 PolarHBondContact O-N 2.87Å; A310-L360 CarbonylContact C-O 3.49Å; A310-L360 VanDerWaalsContact CA-O 3.3Å; A310-L360 WeakPolarHBondContact CA-O 3.38Å; I311-L360 PolarHBondContact N-O 3.12Å; L360-E375 HydrophobicContact CD1-CG 4.31Å; L360-E375 HydrophobicContact CD2-CG 4.47Å; L360-F376 CarbonylContact C-O 3.49Å; L360-F376 VanDerWaalsContact CA-O 3.28Å; L360-F376 WeakPolarHBondContact CA-O 3.38Å; L360-P385 HydrophobicContact CD2-CB 4.31Å
361	G	96.8	Very high	92.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	156.6	166.7	0	0	0	0	0	110.6	I311 E375 F376	I311-G361 CarbonylContact O-C 3.52Å; I311-G361 VanDerWaalsContact O-CA 3.25Å; I311-G361 WeakPolarHBondContact O-CA 3.48Å; G361-E375 CarbonylContact O-C 3.58Å; G361-E375 WeakPolarHBondContact O-CA 3.07Å; G361-F376 PolarHBondContact N-O 3.16Å; G361-F376 WeakPolarHBondContact O-CD1 3.43Å; G361-F376 WeakPolarHBondContact O-CE1 3.44Å; G361-F376 PolarHBondContact O-N 2.87Å
362	F	96.4	Very high	92.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.1	174.9	61.4	-89.3	0	0	0	112.1	A310 I311 D312 F313 H374 T410 F412 V415 I441	A310-F362 HydrophobicContact CB-CD1 4.24Å; A310-F362 HydrophobicContact CB-CE1 4.15Å; I311-F362 VanDerWaalsContact O-CD1 3.26Å; I311-F362 WeakPolarHBondContact O-CD1 3.33Å; I311-F362 PolarHBondContact O-N 3.34Å; D312-F362 HydrophobicContact CB-CE1 4.23Å; D312-F362 HydrophobicContact CB-CE2 3.76Å; D312-F362 HydrophobicContact CB-CZ 3.53Å; F313-F362 WeakPolarHBondContact CA-O 3.09Å; F313-F362 PolarHBondContact N-O 3.42Å; F362-H374 WeakPolarHBondContact CB-O 3.46Å; F362-T410 HydrophobicContact CE2-CG2 3.92Å; F362-F412 AromaticContact CE2-CD1 3.82Å; F362-F412 HydrophobicContact CE2-CD1 3.82Å; F362-F412 AromaticContact CE2-CE1 3.68Å; F362-F412 HydrophobicContact CE2-CE1 3.68Å; F362-F412 AromaticContact CZ-CD1 3.84Å; F362-F412 HydrophobicContact CZ-CD1 3.84Å; F362-F412 AromaticContact CZ-CE1 3.56Å; F362-F412 HydrophobicContact CZ-CE1 3.56Å; F362-V415 HydrophobicContact CB-CG1 4.38Å; F362-V415 HydrophobicContact CD1-CG1 4.23Å; F362-I441 HydrophobicContact CE1-CG2 4.07Å; F362-I441 HydrophobicContact CZ-CG2 4.01Å
363	G	95.1	Very high	92.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	85.5	20.3	174.2	0	0	0	0	0	115.3	F313 S373 Y407 G408	F313-G363 VanDerWaalsContact O-O 3.12Å; G363-S373 PolarHBondContact N-O 2.86Å; G363-Y407 CarbonylContact O-C 3.59Å; G363-Y407 VanDerWaalsContact O-CA 3.29Å; G363-Y407 WeakPolarHBondContact O-CA 3.35Å; G363-Y407 PolarHBondContact O-N 2.87Å; G363-G408 PolarHBondContact O-N 2.87Å
364	A	95.6	Very high	93	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	161.8	-178.3	0	0	0	0	0	113.1	F313 V372 S373 F376 V404	F313-A364 HydrophobicContact CB-CB 3.81Å; A364-V372 WeakPolarHBondContact O-CA 3.35Å; A364-S373 PolarHBondContact N-O 2.8Å; A364-S373 PolarHBondContact O-N 2.86Å; A364-F376 HydrophobicContact CB-CE1 3.6Å; A364-F376 HydrophobicContact CB-CZ 3.83Å; A364-V404 HydrophobicContact CB-CB 4.01Å; A364-V404 HydrophobicContact CB-CG2 4.01Å
365	K	95.5	Very high	93.4	Very high	50 Å²	50	47 Å²	47	22%	0.217	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.6	163.2	-74	179.8	174.8	176.3	0	109.8	G370 R371 V372 R405 Y407	K365-G370 WeakPolarHBondContact CD-O 3.5Å; K365-G370 VanDerWaalsContact CG-O 3.29Å; K365-G370 WeakPolarHBondContact CG-O 3.48Å; K365-R371 WeakPolarHBondContact CA-O 3.2Å; K365-V372 HydrophobicContact CD-CG2 4.47Å; K365-V372 HydrophobicContact CG-CG2 3.9Å; K365-R405 HydrophobicContact CB-CB 4.23Å; K365-R405 PolarHBondContact N-O 2.97Å; K365-R405 PolarHBondContact O-N 3.08Å; K365-Y407 HydrophobicContact CD-CD1 4.42Å; K365-Y407 HydrophobicContact CD-CD2 4.08Å; K365-Y407 HydrophobicContact CD-CG 4.03Å; K365-Y407 HydrophobicContact CG-CD1 4.15Å; K365-Y407 HydrophobicContact CG-CD2 4.47Å; K365-Y407 HydrophobicContact CG-CG 3.91Å
366	L	92.7	Very high	93.5	Very high	42 Å²	42	44.2 Å²	44.2	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	145.9	-178.4	-56.6	-178.7	0	0	0	111.7	G370 R371 F376 V404	L366-G370 WeakPolarHBondContact O-CA 3.35Å; L366-G370 PolarHBondContact O-N 3.45Å; L366-R371 PolarHBondContact N-O 3.05Å; L366-F376 HydrophobicContact CD1-CB 3.73Å; L366-F376 HydrophobicContact CD1-CG 4.21Å; L366-F376 HydrophobicContact CD2-CB 4.09Å; L366-F376 HydrophobicContact CD2-CD1 3.82Å; L366-F376 HydrophobicContact CD2-CD2 3.83Å; L366-F376 HydrophobicContact CD2-CE1 4.16Å; L366-F376 HydrophobicContact CD2-CE2 4.18Å; L366-F376 HydrophobicContact CD2-CG 3.64Å; L366-F376 HydrophobicContact CD2-CZ 4.33Å; L366-F376 HydrophobicContact CG-CB 4.5Å; L366-F376 HydrophobicContact CG-CG 4.47Å; L366-V404 HydrophobicContact CD2-CB 4.43Å; L366-V404 HydrophobicContact CD2-CG1 3.63Å
367	P	88.6	Confident	93.6	Very high	79 Å²	79	42 Å²	42	51%	0.513	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	158.5	167.3	31.5	-34	0	0	0	111.2
368	P	87	Confident	93.6	Very high	138 Å²	138	42.3 Å²	42.3	90%	0.896	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.2	-15	-3.1	35.1	-34.7	0	0	0	113.9
369	D	87.2	Confident	93.5	Very high	117 Å²	117	44 Å²	44	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-10.5	-169.9	63.2	-10.4	0	0	0	113.8	R371	D369-R371 VanDerWaalsContact C-N 3.26Å; D369-R371 PolarHBondContact O-N 3.18Å; D369-R371 WeakPolarHBondContact OD1-CB 3.5Å; D369-R371 PolarHBondContact OD1-N 3.47Å
370	G	87.6	Confident	93.3	Very high	33 Å²	33	47 Å²	47	34%	0.34	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	23.4	-178.8	0	0	0	0	0	112.7	K365 L366	K365-G370 WeakPolarHBondContact CD-O 3.5Å; K365-G370 VanDerWaalsContact CG-O 3.29Å; K365-G370 WeakPolarHBondContact CG-O 3.48Å; L366-G370 WeakPolarHBondContact O-CA 3.35Å; L366-G370 PolarHBondContact O-N 3.45Å
371	R	91.8	Very high	93	Very high	184 Å²	184	49.7 Å²	49.7	69%	0.694	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.3	178.1	-177.2	177	177	-176	-1	110.3	K365 L366 D369 S373	K365-R371 WeakPolarHBondContact CA-O 3.2Å; L366-R371 PolarHBondContact N-O 3.05Å; D369-R371 VanDerWaalsContact C-N 3.26Å; D369-R371 PolarHBondContact O-N 3.18Å; D369-R371 WeakPolarHBondContact OD1-CB 3.5Å; D369-R371 PolarHBondContact OD1-N 3.47Å; R371-S373 PolarHBondContact O-N 2.84Å
372	V	92.8	Very high	92.5	Very high	49 Å²	49	54.3 Å²	54.3	30%	0.297	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.2	173.2	-176.4	0	0	0	0	108.7	A364 K365 Y407	A364-V372 WeakPolarHBondContact O-CA 3.35Å; K365-V372 HydrophobicContact CD-CG2 4.47Å; K365-V372 HydrophobicContact CG-CG2 3.9Å; V372-Y407 HydrophobicContact CB-CD1 4.27Å; V372-Y407 HydrophobicContact CG1-CD1 3.85Å; V372-Y407 HydrophobicContact CG1-CE1 4.3Å; V372-Y407 HydrophobicContact CG2-CD1 3.42Å; V372-Y407 VanDerWaalsContact CG2-CD1 3.42Å; V372-Y407 HydrophobicContact CG2-CE1 3.45Å; V372-Y407 VanDerWaalsContact CG2-CE1 3.45Å; V372-Y407 HydrophobicContact CG2-CG 4.48Å
373	S	93.8	Very high	92.1	Very high	28 Å²	28	62.2 Å²	62.2	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.3	175.3	-147.9	0	0	0	0	110.4	G363 A364 R371 E375	G363-S373 PolarHBondContact N-O 2.86Å; A364-S373 PolarHBondContact N-O 2.8Å; A364-S373 PolarHBondContact O-N 2.86Å; R371-S373 PolarHBondContact O-N 2.84Å; S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact OG-O 2.84Å
374	H	93.1	Very high	91.9	Very high	47 Å²	47	66 Å²	66	22%	0.218	37%	0.372	C	S	.	.	S	Bend	trans	-95.3	10.4	171.9	-61.4	-73.5	0	0	0	112.2	F362 P409 H411 P414	F362-H374 WeakPolarHBondContact CB-O 3.46Å; H374-P409 PolarHBondContact CE1-O 2.89Å; H374-P409 VanDerWaalsContact CE1-O 3.26Å; H374-P409 PolarHBondContact ND1-O 2.81Å; H374-H411 HydrophobicContact CB-CB 4.33Å; H374-H411 AromaticContact CD2-ND1 3.75Å; H374-H411 AromaticContact CE1-CE1 3.89Å; H374-H411 AromaticContact CE1-CG 3.98Å; H374-H411 AromaticContact CE1-ND1 3.33Å; H374-H411 PolarHBondContact CE1-ND1 2.84Å; H374-H411 VanDerWaalsContact CE1-ND1 3.33Å; H374-H411 AromaticContact CG-ND1 3.66Å; H374-H411 AromaticContact ND1-CG 3.75Å; H374-H411 AromaticContact ND1-ND1 3.4Å; H374-H411 PolarHBondContact ND1-ND1 3.45Å; H374-H411 AromaticContact NE2-CE1 4Å; H374-H411 AromaticContact NE2-ND1 3.56Å; H374-P414 HydrophobicContact CB-CB 4.33Å; H374-P414 HydrophobicContact CB-CG 3.85Å
375	E	94.9	Very high	91.7	Very high	57 Å²	57	67.1 Å²	67.1	27%	0.266	38%	0.379	S	S	.	.			trans	-165.9	132.1	171	-173.8	-167.7	109.1	0	0	108.7	L360 G361 S373 V415 H418	L360-E375 HydrophobicContact CD1-CG 4.31Å; L360-E375 HydrophobicContact CD2-CG 4.47Å; G361-E375 CarbonylContact O-C 3.58Å; G361-E375 WeakPolarHBondContact O-CA 3.07Å; S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact OG-O 2.84Å; E375-V415 HydrophobicContact CB-CG1 4.41Å; E375-V415 HydrophobicContact CG-CG1 4.15Å; E375-H418 IonicContact OE1-CE1 3.33Å; E375-H418 PolarHBondContact OE1-CE1 2.62Å; E375-H418 IonicContact OE1-CG 3.83Å; E375-H418 IonicContact OE1-ND1 3.3Å; E375-H418 PolarHBondContact OE1-ND1 3.49Å; E375-H418 WeakPolarHBondContact OE2-CB 3.09Å; E375-H418 IonicContact OE2-CG 3.78Å; E375-H418 IonicContact OE2-ND1 2.82Å; E375-H418 PolarHBondContact OE2-ND1 2.97Å; E375-H418 VanDerWaalsContact OE2-ND1 3.09Å
376	F	95.4	Very high	91.7	Very high	8 Å²	8	68.9 Å²	68.9	4%	0.035	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	149	172.7	58.6	-88.5	0	0	0	111.3	F313 L360 G361 A364 L366 L378 S400 V404	F313-F376 HydrophobicContact CB-CZ 4.27Å; F313-F376 HydrophobicContact CD1-CZ 4.41Å; F313-F376 AromaticContact CD2-CZ 3.97Å; F313-F376 HydrophobicContact CD2-CZ 3.97Å; F313-F376 HydrophobicContact CE2-CZ 4.38Å; F313-F376 AromaticContact CG-CZ 4Å; F313-F376 HydrophobicContact CG-CZ 4Å; L360-F376 CarbonylContact C-O 3.49Å; L360-F376 VanDerWaalsContact CA-O 3.28Å; L360-F376 WeakPolarHBondContact CA-O 3.38Å; G361-F376 PolarHBondContact N-O 3.16Å; G361-F376 WeakPolarHBondContact O-CD1 3.43Å; G361-F376 WeakPolarHBondContact O-CE1 3.44Å; G361-F376 PolarHBondContact O-N 2.87Å; A364-F376 HydrophobicContact CB-CE1 3.6Å; A364-F376 HydrophobicContact CB-CZ 3.83Å; L366-F376 HydrophobicContact CD1-CB 3.73Å; L366-F376 HydrophobicContact CD1-CG 4.21Å; L366-F376 HydrophobicContact CD2-CB 4.09Å; L366-F376 HydrophobicContact CD2-CD1 3.82Å; L366-F376 HydrophobicContact CD2-CD2 3.83Å; L366-F376 HydrophobicContact CD2-CE1 4.16Å; L366-F376 HydrophobicContact CD2-CE2 4.18Å; L366-F376 HydrophobicContact CD2-CG 3.64Å; L366-F376 HydrophobicContact CD2-CZ 4.33Å; L366-F376 HydrophobicContact CG-CB 4.5Å; L366-F376 HydrophobicContact CG-CG 4.47Å; F376-L378 HydrophobicContact CD2-CD2 4.35Å; F376-L378 HydrophobicContact CE2-CD2 3.77Å; F376-L378 HydrophobicContact CZ-CD2 4.45Å; F376-L378 PolarHBondContact O-N 2.97Å; F376-S400 WeakPolarHBondContact CE2-OG 3.32Å; F376-V404 HydrophobicContact CE2-CG1 4.01Å; F376-V404 HydrophobicContact CZ-CG1 4.26Å
377	P	95.9	Very high	91.8	Very high	24 Å²	24	67.3 Å²	67.3	16%	0.156	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.5	176.7	31.3	-37.9	0	0	0	110.9	N379 G380 P382 P385	P377-N379 VanDerWaalsContact C-N 3.26Å; P377-N379 PolarHBondContact O-N 2.79Å; P377-G380 PolarHBondContact O-N 2.77Å; P377-G380 VanDerWaalsContact O-N 3.09Å; P377-P382 HydrophobicContact CG-CB 4.47Å; P377-P382 HydrophobicContact CG-CG 4.18Å; P377-P385 HydrophobicContact CB-CB 4Å
378	L	96.2	Very high	92.1	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.031	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-31.3	179.7	-62.6	-173.1	0	0	0	112.4	I311 F313 A359 F376 G380 A396	I311-L378 HydrophobicContact CD1-CD1 3.61Å; I311-L378 HydrophobicContact CG1-CD1 4.25Å; F313-L378 HydrophobicContact CE2-CD2 3.58Å; F313-L378 HydrophobicContact CZ-CD2 3.83Å; A359-L378 HydrophobicContact CB-CB 4.13Å; A359-L378 HydrophobicContact CB-CD1 3.98Å; A359-L378 HydrophobicContact CB-CG 4.19Å; A359-L378 PolarHBondContact O-N 3.04Å; F376-L378 HydrophobicContact CD2-CD2 4.35Å; F376-L378 HydrophobicContact CE2-CD2 3.77Å; F376-L378 HydrophobicContact CZ-CD2 4.45Å; F376-L378 PolarHBondContact O-N 2.97Å; L378-G380 PolarHBondContact O-N 2.91Å; L378-A396 HydrophobicContact CB-CB 3.89Å
379	N	93.6	Very high	92.5	Very high	57 Å²	57	62 Å²	62	31%	0.305	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-1.2	176.8	72.8	1.8	0	0	0	113.5	P377 N381 N384 Y386 A396	P377-N379 VanDerWaalsContact C-N 3.26Å; P377-N379 PolarHBondContact O-N 2.79Å; N379-N381 VanDerWaalsContact C-N 3.28Å; N379-N381 PolarHBondContact O-N 2.84Å; N379-N381 PolarHBondContact OD1-N 3.41Å; N379-N384 PolarHBondContact ND2-O 2.73Å; N379-Y386 PolarHBondContact ND2-O 2.58Å; N379-A396 HydrophobicContact CB-CB 4.27Å
380	G	91.1	Very high	92.9	Very high	61 Å²	61	56.7 Å²	56.7	63%	0.629	32%	0.319	S	S	*	.	S	Bend	trans	74.8	8.6	179	0	0	0	0	0	115.3	P377 L378 P382	P377-G380 PolarHBondContact O-N 2.77Å; P377-G380 VanDerWaalsContact O-N 3.09Å; L378-G380 PolarHBondContact O-N 2.91Å; G380-P382 WeakPolarHBondContact O-CD 3.47Å
381	N	90.9	Very high	93.3	Very high	63 Å²	63	60.3 Å²	60.3	34%	0.337	33%	0.33	S	S	.	.			trans	-114	99	-179.5	-173.9	-13.8	0	0	0	111.8	N379 Q383 N384	N379-N381 VanDerWaalsContact C-N 3.28Å; N379-N381 PolarHBondContact O-N 2.84Å; N379-N381 PolarHBondContact OD1-N 3.41Å; N381-Q383 PolarHBondContact O-N 2.67Å; N381-Q383 PolarHBondContact OD1-N 2.95Å; N381-Q383 PolarHBondContact OD1-OE1 3.21Å; N381-N384 CarbonylContact O-C 3.19Å; N381-N384 PolarHBondContact O-N 3.12Å; N381-N384 VanDerWaalsContact O-N 3.12Å; N381-N384 PolarHBondContact OD1-N 3.21Å
382	P	86.7	Confident	93.5	Very high	97 Å²	97	52.3 Å²	52.3	63%	0.63	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.1	179.6	-23.4	34.6	0	0	0	114.7	P377 G380	P377-P382 HydrophobicContact CG-CB 4.47Å; P377-P382 HydrophobicContact CG-CG 4.18Å; G380-P382 WeakPolarHBondContact O-CD 3.47Å
383	Q	89.1	Confident	93.7	Very high	167 Å²	167	50 Å²	50	78%	0.78	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-21.3	177.8	-67.6	75.3	29.3	0	0	112.3	N381	N381-Q383 PolarHBondContact O-N 2.67Å; N381-Q383 PolarHBondContact OD1-N 2.95Å; N381-Q383 PolarHBondContact OD1-OE1 3.21Å
384	N	89.9	Confident	93.8	Very high	79 Å²	79	49.2 Å²	49.2	42%	0.422	29%	0.285	S	S	.	.			trans	-149.1	87.3	-177.3	-177.4	13.7	0	0	0	110.4	N379 N381 Y386	N379-N384 PolarHBondContact ND2-O 2.73Å; N381-N384 CarbonylContact O-C 3.19Å; N381-N384 PolarHBondContact O-N 3.12Å; N381-N384 VanDerWaalsContact O-N 3.12Å; N381-N384 PolarHBondContact OD1-N 3.21Å; N384-Y386 PolarHBondContact O-N 3.4Å; N384-Y386 WeakPolarHBondContact OD1-CB 3.26Å; N384-Y386 WeakPolarHBondContact OD1-CD2 3.32Å; N384-Y386 PolarHBondContact OD1-N 3Å
385	P	92.4	Very high	94	Very high	23 Å²	23	53.1 Å²	53.1	15%	0.149	30%	0.303	C	S	.	.			trans	-76.8	2.5	-179.1	32.5	-37.2	0	0	0	114	P358 A359 L360 P377	P358-P385 WeakPolarHBondContact CA-O 3.25Å; P358-P385 HydrophobicContact CB-CG 4.27Å; A359-P385 PolarHBondContact N-O 3.31Å; A359-P385 VanDerWaalsContact N-O 3.13Å; L360-P385 HydrophobicContact CD2-CB 4.31Å; P377-P385 HydrophobicContact CB-CB 4Å
386	Y	94.1	Very high	94.1	Very high	87 Å²	87	50.8 Å²	50.8	34%	0.341	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	135.8	-171.4	-66.8	-98.2	0	0	0	112.2	L356 F357 P358 N379 N384	L356-Y386 HydrophobicContact CB-CD1 3.78Å; L356-Y386 HydrophobicContact CB-CG 4.42Å; L356-Y386 WeakPolarHBondContact O-CD1 3.44Å; F357-Y386 WeakPolarHBondContact O-CA 3.34Å; P358-Y386 HydrophobicContact CG-CD1 3.83Å; P358-Y386 HydrophobicContact CG-CE1 3.54Å; P358-Y386 HydrophobicContact CG-CE2 4.47Å; P358-Y386 HydrophobicContact CG-CG 4.43Å; N379-Y386 PolarHBondContact ND2-O 2.58Å; N384-Y386 PolarHBondContact O-N 3.4Å; N384-Y386 WeakPolarHBondContact OD1-CB 3.26Å; N384-Y386 WeakPolarHBondContact OD1-CD2 3.32Å; N384-Y386 PolarHBondContact OD1-N 3Å
387	C	95.6	Very high	94.1	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.068	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.9	176.5	-61.7	0	0	0	0	110	L356 F357 G389 V393	L356-C387 WeakPolarHBondContact CA-O 3.35Å; F357-C387 PolarHBondContact N-O 3.25Å; F357-C387 PolarHBondContact O-N 3.33Å; C387-G389 PolarHBondContact O-N 2.7Å; C387-V393 HydrophobicContact CB-CG2 3.77Å
388	S	95.5	Very high	94.1	Very high	96 Å²	96	51.9 Å²	51.9	67%	0.671	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	107	179.7	-172.7	0	0	0	0	111	G392	S388-G392 WeakPolarHBondContact O-CA 3.39Å; S388-G392 PolarHBondContact O-N 3.3Å; S388-G392 VanDerWaalsContact O-N 3.11Å
389	G	95.2	Very high	94	Very high	10 Å²	10	56.4 Å²	56.4	10%	0.103	32%	0.315	C	S	.	.	H	α-helix	trans	64.1	179.8	-178.4	0	0	0	0	0	113.6	K355 C387 D391 G392 V393	K355-G389 PolarHBondContact O-N 3.4Å; C387-G389 PolarHBondContact O-N 2.7Å; G389-D391 VanDerWaalsContact C-N 3.29Å; G389-D391 PolarHBondContact O-N 3.03Å; G389-G392 PolarHBondContact O-N 2.92Å; G389-V393 PolarHBondContact O-N 3.29Å; G389-V393 VanDerWaalsContact O-N 3.17Å
390	I	95.3	Very high	94.1	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-32.9	177	-61.6	-54.9	0	0	0	112.2	F307 G345 Q349 F357 G392 V393 M394	F307-I390 HydrophobicContact CD1-CD1 4.03Å; F307-I390 HydrophobicContact CE1-CD1 3.75Å; G345-I390 WeakPolarHBondContact O-CG1 3.14Å; Q349-I390 HydrophobicContact CB-CG1 4.44Å; F357-I390 HydrophobicContact CD2-CD1 3.79Å; F357-I390 HydrophobicContact CE2-CD1 3.8Å; F357-I390 HydrophobicContact CE2-CG1 4.17Å; I390-G392 VanDerWaalsContact C-N 3.28Å; I390-G392 PolarHBondContact O-N 2.96Å; I390-V393 PolarHBondContact O-N 2.7Å; I390-M394 HydrophobicContact CG2-CG 4.18Å; I390-M394 WeakPolarHBondContact O-CB 3.19Å; I390-M394 WeakPolarHBondContact O-CG 3.48Å; I390-M394 PolarHBondContact O-N 3.33Å
391	D	95.3	Very high	94.2	Very high	109 Å²	109	51.5 Å²	51.5	58%	0.583	28%	0.275	S	S	*	.	H	α-helix	trans	-63	-37.1	175.5	-68.7	-40.2	0	0	0	111.4	R342 G389 M394 E395	R342-D391 IonicContact NH2-OD1 2.81Å; R342-D391 PolarHBondContact NH2-OD1 3.26Å; G389-D391 VanDerWaalsContact C-N 3.29Å; G389-D391 PolarHBondContact O-N 3.03Å; D391-M394 PolarHBondContact O-N 3.45Å; D391-E395 PolarHBondContact O-N 2.85Å
392	G	96.7	Very high	94.3	Very high	16 Å²	16	55 Å²	55	17%	0.165	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-40.2	172.5	0	0	0	0	0	113.2	S388 G389 I390 M394 E395 A396	S388-G392 WeakPolarHBondContact O-CA 3.39Å; S388-G392 PolarHBondContact O-N 3.3Å; S388-G392 VanDerWaalsContact O-N 3.11Å; G389-G392 PolarHBondContact O-N 2.92Å; I390-G392 VanDerWaalsContact C-N 3.28Å; I390-G392 PolarHBondContact O-N 2.96Å; G392-M394 VanDerWaalsContact C-N 3.34Å; G392-E395 PolarHBondContact O-N 3.42Å; G392-A396 WeakPolarHBondContact O-CB 3.13Å; G392-A396 PolarHBondContact O-N 3.25Å
393	V	97.2	Very high	94.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-43.5	174.4	176.3	0	0	0	0	110.7	V309 L341 F357 A359 C387 G389 I390 A396 Y397	V309-V393 HydrophobicContact CB-CG1 4.36Å; V309-V393 HydrophobicContact CG1-CG1 4.28Å; V309-V393 HydrophobicContact CG2-CG1 4.3Å; L341-V393 HydrophobicContact CD2-CG1 4.47Å; F357-V393 HydrophobicContact CB-CG2 3.87Å; F357-V393 HydrophobicContact CD2-CG2 4.26Å; A359-V393 HydrophobicContact CB-CG1 4.06Å; A359-V393 HydrophobicContact CB-CG2 4.28Å; C387-V393 HydrophobicContact CB-CG2 3.77Å; G389-V393 PolarHBondContact O-N 3.29Å; G389-V393 VanDerWaalsContact O-N 3.17Å; I390-V393 PolarHBondContact O-N 2.7Å; V393-A396 PolarHBondContact O-N 3.11Å; V393-Y397 WeakPolarHBondContact O-CB 3.34Å; V393-Y397 PolarHBondContact O-N 3.09Å
394	M	96.3	Very high	94.7	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.054	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-43.4	177.8	-70.9	-72	-69.9	0	0	111.7	L334 A338 L341 I390 D391 G392 Y397 Y398	L334-M394 HydrophobicContact CD2-CE 4.09Å; A338-M394 HydrophobicContact CB-CE 3.51Å; A338-M394 HydrophobicContact CB-SD 4.24Å; L341-M394 HydrophobicContact CB-SD 3.86Å; L341-M394 HydrophobicContact CD1-SD 3.88Å; I390-M394 HydrophobicContact CG2-CG 4.18Å; I390-M394 WeakPolarHBondContact O-CB 3.19Å; I390-M394 WeakPolarHBondContact O-CG 3.48Å; I390-M394 PolarHBondContact O-N 3.33Å; D391-M394 PolarHBondContact O-N 3.45Å; G392-M394 VanDerWaalsContact C-N 3.34Å; M394-Y397 PolarHBondContact O-N 3.29Å; M394-Y398 HydrophobicContact CE-CE2 3.92Å; M394-Y398 WeakPolarHBondContact O-CD2 3.33Å; M394-Y398 PolarHBondContact O-N 3.4Å; M394-Y398 VanDerWaalsContact O-N 3.12Å
395	E	95.8	Very high	95	Very high	128 Å²	128	51.4 Å²	51.4	60%	0.598	26%	0.261	S	S	*	.	H	α-helix	trans	-60.4	-49.2	174.1	-176.7	172.7	-165.2	0	0	111.1	D391 G392 Y397 Y398 Q399	D391-E395 PolarHBondContact O-N 2.85Å; G392-E395 PolarHBondContact O-N 3.42Å; E395-Y397 VanDerWaalsContact C-N 3.34Å; E395-Y397 PolarHBondContact O-N 3.35Å; E395-Y398 PolarHBondContact O-N 2.64Å; E395-Q399 HydrophobicContact CG-CG 4.35Å; E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.42Å; E395-Q399 PolarHBondContact O-N 3.13Å
396	A	97	Very high	95.1	Very high	9 Å²	9	51.4 Å²	51.4	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-42.5	178.5	0	0	0	0	0	112.2	L378 N379 G392 V393 Q399 S400	L378-A396 HydrophobicContact CB-CB 3.89Å; N379-A396 HydrophobicContact CB-CB 4.27Å; G392-A396 WeakPolarHBondContact O-CB 3.13Å; G392-A396 PolarHBondContact O-N 3.25Å; V393-A396 PolarHBondContact O-N 3.11Å; A396-Q399 PolarHBondContact O-N 2.77Å; A396-S400 VanDerWaalsContact O-CB 3.25Å; A396-S400 WeakPolarHBondContact O-CB 3.31Å; A396-S400 PolarHBondContact O-N 3.3Å
397	Y	97.4	Very high	95.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.7	-51.8	174.8	164.3	-117.3	0	0	0	112.3	I311 F313 H327 N335 Y337 A338 L341 V393 M394 E395 Q399 S400 L401	I311-Y397 HydrophobicContact CD1-CD2 3.47Å; I311-Y397 VanDerWaalsContact CD1-CD2 3.47Å; I311-Y397 HydrophobicContact CD1-CE2 4.16Å; I311-Y397 HydrophobicContact CD1-CG 3.87Å; I311-Y397 HydrophobicContact CG2-CD2 4.07Å; I311-Y397 HydrophobicContact CG2-CE2 3.88Å; F313-Y397 HydrophobicContact CE2-CD2 4.21Å; F313-Y397 HydrophobicContact CE2-CE2 4.48Å; F313-Y397 AromaticContact CZ-CD2 3.78Å; F313-Y397 HydrophobicContact CZ-CD2 3.78Å; F313-Y397 HydrophobicContact CZ-CE2 4.11Å; H327-Y397 AromaticContact ND1-CE2 3.72Å; H327-Y397 AromaticContact ND1-CZ 3.7Å; H327-Y397 PolarHBondContact ND1-OH 2.86Å; N335-Y397 PolarHBondContact ND2-OH 3.34Å; N335-Y397 PolarHBondContact OD1-OH 3.42Å; Y337-Y397 WeakPolarHBondContact CB-OH 3.33Å; A338-Y397 HydrophobicContact CB-CE1 4.34Å; L341-Y397 HydrophobicContact CD1-CD1 4.33Å; L341-Y397 HydrophobicContact CD1-CG 4.4Å; V393-Y397 WeakPolarHBondContact O-CB 3.34Å; V393-Y397 PolarHBondContact O-N 3.09Å; M394-Y397 PolarHBondContact O-N 3.29Å; E395-Y397 VanDerWaalsContact C-N 3.34Å; E395-Y397 PolarHBondContact O-N 3.35Å; Y397-Q399 PolarHBondContact O-N 2.81Å; Y397-S400 PolarHBondContact O-N 3.32Å; Y397-L401 HydrophobicContact CD2-CD1 4.16Å; Y397-L401 HydrophobicContact CD2-CG 4.3Å; Y397-L401 HydrophobicContact CE1-CD1 3.97Å; Y397-L401 HydrophobicContact CE2-CD1 3.54Å; Y397-L401 HydrophobicContact CE2-CD2 4.43Å; Y397-L401 HydrophobicContact CE2-CG 3.92Å; Y397-L401 VanDerWaalsContact CZ-CD1 3.46Å; Y397-L401 PolarHBondContact O-N 3.08Å
398	Y	95.1	Very high	94.9	Very high	55 Å²	55	52.4 Å²	52.4	22%	0.216	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-33.1	-179.9	-71.3	-55.7	0	0	0	113.4	M329 L334 A338 M394 E395 L401 K402	M329-Y398 HydrophobicContact CG-CD1 3.73Å; M329-Y398 HydrophobicContact CG-CE1 3.95Å; M329-Y398 HydrophobicContact SD-CD1 3.84Å; L334-Y398 WeakPolarHBondContact CD2-OH 3.3Å; A338-Y398 VanDerWaalsContact CB-OH 3.3Å; A338-Y398 WeakPolarHBondContact CB-OH 3.16Å; M394-Y398 HydrophobicContact CE-CE2 3.92Å; M394-Y398 WeakPolarHBondContact O-CD2 3.33Å; M394-Y398 PolarHBondContact O-N 3.4Å; M394-Y398 VanDerWaalsContact O-N 3.12Å; E395-Y398 PolarHBondContact O-N 2.64Å; Y398-L401 HydrophobicContact CD1-CD1 4.39Å; Y398-K402 WeakPolarHBondContact O-CG 3.32Å
399	Q	94.5	Very high	94.8	Very high	100 Å²	100	50.4 Å²	50.4	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-68.2	-43.3	173.5	-67.2	-63.6	-4.6	0	0	111	E395 A396 Y397 L401 K402	E395-Q399 HydrophobicContact CG-CG 4.35Å; E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.42Å; E395-Q399 PolarHBondContact O-N 3.13Å; A396-Q399 PolarHBondContact O-N 2.77Å; Y397-Q399 PolarHBondContact O-N 2.81Å; Q399-L401 PolarHBondContact O-N 2.94Å; Q399-K402 PolarHBondContact O-N 2.83Å; Q399-K402 VanDerWaalsContact O-N 3.17Å
400	S	95	Very high	94.6	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.035	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-45.5	179.1	-165.8	0	0	0	0	111.7	F376 A396 Y397 K402 S403 V404	F376-S400 WeakPolarHBondContact CE2-OG 3.32Å; A396-S400 VanDerWaalsContact O-CB 3.25Å; A396-S400 WeakPolarHBondContact O-CB 3.31Å; A396-S400 PolarHBondContact O-N 3.3Å; Y397-S400 PolarHBondContact O-N 3.32Å; S400-K402 PolarHBondContact O-N 3.07Å; S400-K402 VanDerWaalsContact O-N 3.08Å; S400-S403 PolarHBondContact O-N 3.01Å; S400-S403 PolarHBondContact O-OG 2.76Å; S400-V404 WeakPolarHBondContact O-CG2 3.3Å; S400-V404 PolarHBondContact O-N 2.94Å
401	L	94.3	Very high	94.6	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-54.8	-28.1	176.7	-83	174.7	0	0	0	114.5	F313 P320 H327 M329 Y397 Y398 Q399 L406	F313-L401 HydrophobicContact CD1-CD2 3.71Å; F313-L401 HydrophobicContact CD1-CG 4.4Å; F313-L401 HydrophobicContact CE1-CB 4.25Å; F313-L401 HydrophobicContact CE1-CD2 3.36Å; F313-L401 HydrophobicContact CE1-CG 3.55Å; F313-L401 HydrophobicContact CZ-CD2 4.21Å; F313-L401 HydrophobicContact CZ-CG 4.08Å; P320-L401 HydrophobicContact CB-CD2 4.47Å; P320-L401 HydrophobicContact CG-CD2 3.98Å; H327-L401 HydrophobicContact CB-CD1 4.05Å; H327-L401 HydrophobicContact CB-CD2 3.78Å; M329-L401 HydrophobicContact CE-CB 3.96Å; M329-L401 HydrophobicContact CE-CD1 4.46Å; M329-L401 HydrophobicContact CG-CD1 4.49Å; Y397-L401 HydrophobicContact CD2-CD1 4.16Å; Y397-L401 HydrophobicContact CD2-CG 4.3Å; Y397-L401 HydrophobicContact CE1-CD1 3.97Å; Y397-L401 HydrophobicContact CE2-CD1 3.54Å; Y397-L401 HydrophobicContact CE2-CD2 4.43Å; Y397-L401 HydrophobicContact CE2-CG 3.92Å; Y397-L401 VanDerWaalsContact CZ-CD1 3.46Å; Y397-L401 PolarHBondContact O-N 3.08Å; Y398-L401 HydrophobicContact CD1-CD1 4.39Å; Q399-L401 PolarHBondContact O-N 2.94Å; L401-L406 HydrophobicContact CD2-CD2 4.35Å
402	K	92.6	Very high	94.6	Very high	138 Å²	138	47 Å²	47	60%	0.6	23%	0.229	S	C	*	.	H	α-helix	trans	-80.8	-19.2	178	-64.6	169.4	-171.8	170.2	0	113.1	M329 Y398 Q399 S400	M329-K402 HydrophobicContact CE-CG 4.2Å; Y398-K402 WeakPolarHBondContact O-CG 3.32Å; Q399-K402 PolarHBondContact O-N 2.83Å; Q399-K402 VanDerWaalsContact O-N 3.17Å; S400-K402 PolarHBondContact O-N 3.07Å; S400-K402 VanDerWaalsContact O-N 3.08Å
403	S	91.1	Very high	94.6	Very high	68 Å²	68	47 Å²	47	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-107.2	-34.6	-170.1	71.1	0	0	0	0	113.6	S400	S400-S403 PolarHBondContact O-N 3.01Å; S400-S403 PolarHBondContact O-OG 2.76Å
404	V	93.6	Very high	94.5	Very high	17 Å²	17	48.7 Å²	48.7	10%	0.103	24%	0.238	C	C	.	.	S	Bend	trans	-90.6	157.5	-177	-53.2	0	0	0	0	111.4	F313 A364 L366 F376 S400	F313-V404 HydrophobicContact CD1-CG2 3.43Å; F313-V404 VanDerWaalsContact CD1-CG2 3.43Å; F313-V404 HydrophobicContact CE1-CG2 3.79Å; F313-V404 HydrophobicContact CG-CG2 4.36Å; A364-V404 HydrophobicContact CB-CB 4.01Å; A364-V404 HydrophobicContact CB-CG2 4.01Å; L366-V404 HydrophobicContact CD2-CB 4.43Å; L366-V404 HydrophobicContact CD2-CG1 3.63Å; F376-V404 HydrophobicContact CE2-CG1 4.01Å; F376-V404 HydrophobicContact CZ-CG1 4.26Å; S400-V404 WeakPolarHBondContact O-CG2 3.3Å; S400-V404 PolarHBondContact O-N 2.94Å
405	R	94.6	Very high	94.5	Very high	181 Å²	181	48.2 Å²	48.2	68%	0.683	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.3	171.7	177.7	178.8	179	179.5	2.3	109.6	K365 Y407	K365-R405 HydrophobicContact CB-CB 4.23Å; K365-R405 PolarHBondContact N-O 2.97Å; K365-R405 PolarHBondContact O-N 3.08Å; R405-Y407 PolarHBondContact O-N 2.74Å
406	L	94.9	Very high	94.5	Very high	23 Å²	23	42.1 Å²	42.1	12%	0.12	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	136.8	178.7	-50.8	-174.8	0	0	0	111.7	F313 A315 N317 G318 P320 L401	F313-L406 HydrophobicContact CB-CD2 3.76Å; F313-L406 HydrophobicContact CD1-CD2 3.68Å; F313-L406 HydrophobicContact CG-CD2 4.14Å; F313-L406 WeakPolarHBondContact O-CA 3.39Å; F313-L406 VanDerWaalsContact O-CB 3.31Å; F313-L406 WeakPolarHBondContact O-CB 3.47Å; F313-L406 VanDerWaalsContact O-CD2 3.23Å; F313-L406 WeakPolarHBondContact O-CD2 3.44Å; A315-L406 HydrophobicContact CB-CB 4.45Å; N317-L406 HydrophobicContact CB-CD1 4.4Å; G318-L406 WeakPolarHBondContact O-CD1 3.44Å; P320-L406 HydrophobicContact CG-CD1 3.89Å; P320-L406 HydrophobicContact CG-CG 4.33Å; L401-L406 HydrophobicContact CD2-CD2 4.35Å
407	Y	94.3	Very high	94.5	Very high	105 Å²	105	45 Å²	45	41%	0.412	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-149.6	-133.8	-174	-164.2	-112.5	0	0	0	112.8	F313 T314 A315 G363 K365 V372 R405	F313-Y407 PolarHBondContact O-N 3Å; T314-Y407 CarbonylContact C-O 3.59Å; T314-Y407 WeakPolarHBondContact CA-O 3.37Å; T314-Y407 VanDerWaalsContact CB-O 3.32Å; T314-Y407 WeakPolarHBondContact CB-O 3.27Å; A315-Y407 WeakPolarHBondContact CB-O 3.08Å; A315-Y407 PolarHBondContact N-O 2.84Å; G363-Y407 CarbonylContact O-C 3.59Å; G363-Y407 VanDerWaalsContact O-CA 3.29Å; G363-Y407 WeakPolarHBondContact O-CA 3.35Å; G363-Y407 PolarHBondContact O-N 2.87Å; K365-Y407 HydrophobicContact CD-CD1 4.42Å; K365-Y407 HydrophobicContact CD-CD2 4.08Å; K365-Y407 HydrophobicContact CD-CG 4.03Å; K365-Y407 HydrophobicContact CG-CD1 4.15Å; K365-Y407 HydrophobicContact CG-CD2 4.47Å; K365-Y407 HydrophobicContact CG-CG 3.91Å; V372-Y407 HydrophobicContact CB-CD1 4.27Å; V372-Y407 HydrophobicContact CG1-CD1 3.85Å; V372-Y407 HydrophobicContact CG1-CE1 4.3Å; V372-Y407 HydrophobicContact CG2-CD1 3.42Å; V372-Y407 VanDerWaalsContact CG2-CD1 3.42Å; V372-Y407 HydrophobicContact CG2-CE1 3.45Å; V372-Y407 VanDerWaalsContact CG2-CE1 3.45Å; V372-Y407 HydrophobicContact CG2-CG 4.48Å; R405-Y407 PolarHBondContact O-N 2.74Å
408	G	91	Very high	94.3	Very high	14 Å²	14	48.6 Å²	48.6	14%	0.144	24%	0.238	C	C	.	.			trans	172.1	-175.8	-179.7	0	0	0	0	0	111.2	G363	G363-G408 PolarHBondContact O-N 2.87Å
409	P	93.1	Very high	94.2	Very high	53 Å²	53	46.4 Å²	46.4	34%	0.344	23%	0.23	S	C	.	.			cis	-69.7	174.2	-5.4	30.2	-39.9	0	0	0	114.7	H374 H411 T448	H374-P409 PolarHBondContact CE1-O 2.89Å; H374-P409 VanDerWaalsContact CE1-O 3.26Å; H374-P409 PolarHBondContact ND1-O 2.81Å; P409-H411 WeakPolarHBondContact CG-CE1 3.13Å; P409-H411 WeakPolarHBondContact CG-NE2 3.27Å; P409-T448 HydrophobicContact CB-CG2 3.68Å; P409-T448 WeakPolarHBondContact CB-OG1 3.21Å; P409-T448 HydrophobicContact CG-CG2 4.41Å
410	T	92.6	Very high	94.1	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.049	21%	0.211	C	C	.	.			trans	-84.3	109.1	176.2	-44.1	0	0	0	0	109.3	T314 F362 F412 V446 T448	T314-T410 HydrophobicContact CG2-CG2 4.46Å; T314-T410 WeakPolarHBondContact CG2-OG1 3.18Å; F362-T410 HydrophobicContact CE2-CG2 3.92Å; T410-F412 HydrophobicContact CG2-CD1 4.36Å; T410-F412 HydrophobicContact CG2-CE1 3.81Å; T410-V446 WeakPolarHBondContact CB-O 3.29Å; T410-V446 VanDerWaalsContact CG2-O 3.29Å; T410-V446 WeakPolarHBondContact CG2-O 3.13Å; T410-V446 PolarHBondContact OG1-O 2.88Å; T410-T448 WeakPolarHBondContact O-CB 3.21Å; T410-T448 PolarHBondContact O-N 2.85Å
411	H	94.1	Very high	93.9	Very high	44 Å²	44	44.3 Å²	44.3	20%	0.204	23%	0.227	C	C	.	.			trans	-124	117.8	-176.8	-69.6	168.1	0	0	0	110.8	H374 P409 P414 D449	H374-H411 HydrophobicContact CB-CB 4.33Å; H374-H411 AromaticContact CD2-ND1 3.75Å; H374-H411 AromaticContact CE1-CE1 3.89Å; H374-H411 AromaticContact CE1-CG 3.98Å; H374-H411 AromaticContact CE1-ND1 3.33Å; H374-H411 PolarHBondContact CE1-ND1 2.84Å; H374-H411 VanDerWaalsContact CE1-ND1 3.33Å; H374-H411 AromaticContact CG-ND1 3.66Å; H374-H411 AromaticContact ND1-CG 3.75Å; H374-H411 AromaticContact ND1-ND1 3.4Å; H374-H411 PolarHBondContact ND1-ND1 3.45Å; H374-H411 AromaticContact NE2-CE1 4Å; H374-H411 AromaticContact NE2-ND1 3.56Å; P409-H411 WeakPolarHBondContact CG-CE1 3.13Å; P409-H411 WeakPolarHBondContact CG-NE2 3.27Å; H411-P414 HydrophobicContact CB-CG 4.16Å; H411-D449 VanDerWaalsContact CA-CG 3.5Å; H411-D449 VanDerWaalsContact CA-OD1 3.27Å; H411-D449 WeakPolarHBondContact CA-OD1 3.37Å; H411-D449 WeakPolarHBondContact CA-OD2 3.13Å; H411-D449 HydrophobicContact CB-CB 4.49Å; H411-D449 WeakPolarHBondContact CB-OD2 3.23Å; H411-D449 IonicContact CD2-OD2 3.44Å; H411-D449 IonicContact CG-OD2 2.81Å
412	F	95.6	Very high	93.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.			trans	-91.9	-27.3	177.9	-70.6	4	0	0	0	112.3	F362 T410 P414 V415 I416 I441 S443 I447 D449 T453 I469 M480	F362-F412 AromaticContact CE2-CD1 3.82Å; F362-F412 HydrophobicContact CE2-CD1 3.82Å; F362-F412 AromaticContact CE2-CE1 3.68Å; F362-F412 HydrophobicContact CE2-CE1 3.68Å; F362-F412 AromaticContact CZ-CD1 3.84Å; F362-F412 HydrophobicContact CZ-CD1 3.84Å; F362-F412 AromaticContact CZ-CE1 3.56Å; F362-F412 HydrophobicContact CZ-CE1 3.56Å; T410-F412 HydrophobicContact CG2-CD1 4.36Å; T410-F412 HydrophobicContact CG2-CE1 3.81Å; F412-P414 VanDerWaalsContact C-N 3.31Å; F412-V415 WeakPolarHBondContact O-CG2 3.23Å; F412-V415 PolarHBondContact O-N 3.42Å; F412-I416 HydrophobicContact CB-CD1 4.05Å; F412-I416 WeakPolarHBondContact O-CG1 3.07Å; F412-I416 PolarHBondContact O-N 3.17Å; F412-I416 VanDerWaalsContact O-N 3.11Å; F412-I441 HydrophobicContact CB-CD1 4.47Å; F412-I441 HydrophobicContact CD1-CG2 4.15Å; F412-I441 HydrophobicContact CD2-CD1 4.19Å; F412-I441 HydrophobicContact CD2-CG2 4.27Å; F412-I441 HydrophobicContact CE1-CG2 3.86Å; F412-I441 HydrophobicContact CE2-CG2 3.97Å; F412-I441 HydrophobicContact CG-CD1 4.31Å; F412-I441 HydrophobicContact CG-CG2 4.37Å; F412-I441 HydrophobicContact CZ-CG2 3.77Å; F412-S443 VanDerWaalsContact CZ-CB 3.5Å; F412-I447 HydrophobicContact CD2-CD1 3.76Å; F412-I447 HydrophobicContact CD2-CG1 4.15Å; F412-I447 HydrophobicContact CE2-CD1 3.53Å; F412-I447 HydrophobicContact CE2-CG1 3.8Å; F412-I447 HydrophobicContact CZ-CD1 4.24Å; F412-I447 HydrophobicContact CZ-CG1 4Å; F412-D449 PolarHBondContact N-OD1 2.83Å; F412-D449 PolarHBondContact N-OD2 3.37Å; F412-T453 HydrophobicContact CB-CG2 4.04Å; F412-T453 HydrophobicContact CD2-CG2 4.49Å; F412-I469 HydrophobicContact CD2-CD1 4.4Å; F412-I469 HydrophobicContact CE2-CD1 4.24Å; F412-I469 HydrophobicContact CE2-CG2 4.06Å; F412-M480 HydrophobicContact CE2-CE 4.29Å; F412-M480 HydrophobicContact CZ-CE 3.94Å
413	S	96.2	Very high	93.2	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.112	22%	0.215	C	C	.	.	H	α-helix	trans	-55.4	-36.2	-177.3	67.5	0	0	0	0	114.3	N417 D449 T453	S413-N417 WeakPolarHBondContact O-CB 3.28Å; S413-N417 PolarHBondContact O-N 3.16Å; S413-N417 PolarHBondContact O-ND2 2.81Å; S413-D449 WeakPolarHBondContact CB-OD2 3.49Å; S413-D449 PolarHBondContact N-OD2 2.87Å; S413-D449 PolarHBondContact OG-OD2 3.11Å; S413-T453 PolarHBondContact N-OG1 3.12Å
414	P	95.8	Very high	92.9	Very high	38 Å²	38	40.3 Å²	40.3	25%	0.247	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-48.5	179.7	-23.8	38.2	0	0	0	112.6	H374 H411 F412 N417 H418	H374-P414 HydrophobicContact CB-CB 4.33Å; H374-P414 HydrophobicContact CB-CG 3.85Å; H411-P414 HydrophobicContact CB-CG 4.16Å; F412-P414 VanDerWaalsContact C-N 3.31Å; P414-N417 PolarHBondContact O-N 2.79Å; P414-H418 PolarHBondContact O-N 3.41Å
415	V	95.3	Very high	92.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-39.8	-179.6	-69.4	0	0	0	0	111.8	A310 F362 E375 F412 H418 V419 I441	A310-V415 HydrophobicContact CB-CB 4.19Å; A310-V415 HydrophobicContact CB-CG1 4.14Å; A310-V415 HydrophobicContact CB-CG2 4.23Å; F362-V415 HydrophobicContact CB-CG1 4.38Å; F362-V415 HydrophobicContact CD1-CG1 4.23Å; E375-V415 HydrophobicContact CB-CG1 4.41Å; E375-V415 HydrophobicContact CG-CG1 4.15Å; F412-V415 WeakPolarHBondContact O-CG2 3.23Å; F412-V415 PolarHBondContact O-N 3.42Å; V415-H418 PolarHBondContact O-N 3.34Å; V415-V419 WeakPolarHBondContact O-CG2 3.31Å; V415-V419 PolarHBondContact O-N 3.41Å; V415-V419 VanDerWaalsContact O-N 3.16Å; V415-I441 HydrophobicContact CG2-CD1 4.3Å
416	I	96.8	Very high	91.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-46.6	175.7	-63.1	170.6	0	0	0	110	F412 H418 V419 A420 L439 I441 T453 I457 I467	F412-I416 HydrophobicContact CB-CD1 4.05Å; F412-I416 WeakPolarHBondContact O-CG1 3.07Å; F412-I416 PolarHBondContact O-N 3.17Å; F412-I416 VanDerWaalsContact O-N 3.11Å; I416-H418 PolarHBondContact O-N 2.89Å; I416-V419 PolarHBondContact O-N 3.31Å; I416-A420 WeakPolarHBondContact O-CB 3.41Å; I416-A420 PolarHBondContact O-N 3.12Å; I416-L439 HydrophobicContact CG1-CD2 4.06Å; I416-I441 HydrophobicContact CD1-CD1 4.23Å; I416-I441 HydrophobicContact CG1-CD1 3.97Å; I416-T453 HydrophobicContact CD1-CG2 4.01Å; I416-I457 HydrophobicContact CD1-CG1 4.13Å; I416-I467 HydrophobicContact CD1-CD1 4.3Å; I416-I467 HydrophobicContact CG1-CD1 4.25Å; I416-I467 HydrophobicContact CG2-CD1 3.9Å
417	N	96.4	Very high	90.9	Very high	71 Å²	71	42.8 Å²	42.8	38%	0.38	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-37.4	179.8	-75	-33	0	0	0	112.6	S413 P414 S421 S456	S413-N417 WeakPolarHBondContact O-CB 3.28Å; S413-N417 PolarHBondContact O-N 3.16Å; S413-N417 PolarHBondContact O-ND2 2.81Å; P414-N417 PolarHBondContact O-N 2.79Å; N417-S421 WeakPolarHBondContact O-CB 3.41Å; N417-S421 PolarHBondContact O-N 2.94Å; N417-S421 PolarHBondContact O-OG 2.98Å; N417-S456 PolarHBondContact ND2-OG 3.43Å; N417-S456 WeakPolarHBondContact OD1-CB 3.34Å; N417-S456 PolarHBondContact OD1-OG 3.35Å
418	H	93.1	Very high	90.1	Very high	75 Å²	75	42.6 Å²	42.6	35%	0.347	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-56.7	175.3	-176.2	163	0	0	0	110.3	E375 P414 V415 I416 A420 S421 F422	E375-H418 IonicContact OE1-CE1 3.33Å; E375-H418 PolarHBondContact OE1-CE1 2.62Å; E375-H418 IonicContact OE1-CG 3.83Å; E375-H418 IonicContact OE1-ND1 3.3Å; E375-H418 PolarHBondContact OE1-ND1 3.49Å; E375-H418 WeakPolarHBondContact OE2-CB 3.09Å; E375-H418 IonicContact OE2-CG 3.78Å; E375-H418 IonicContact OE2-ND1 2.82Å; E375-H418 PolarHBondContact OE2-ND1 2.97Å; E375-H418 VanDerWaalsContact OE2-ND1 3.09Å; P414-H418 PolarHBondContact O-N 3.41Å; V415-H418 PolarHBondContact O-N 3.34Å; I416-H418 PolarHBondContact O-N 2.89Å; H418-A420 VanDerWaalsContact C-N 3.32Å; H418-A420 PolarHBondContact O-N 3.19Å; H418-S421 PolarHBondContact O-N 3.11Å; H418-S421 PolarHBondContact O-OG 3.1Å; H418-F422 PolarHBondContact O-N 3.32Å
419	V	92.9	Very high	89.5	Confident	8 Å²	8	45.8 Å²	45.8	5%	0.048	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-44	-179.1	177.7	0	0	0	0	110.9	T308 V415 I416 S421 F422 N423 L439 M465	T308-V419 HydrophobicContact CG2-CG2 3.84Å; V415-V419 WeakPolarHBondContact O-CG2 3.31Å; V415-V419 PolarHBondContact O-N 3.41Å; V415-V419 VanDerWaalsContact O-N 3.16Å; I416-V419 PolarHBondContact O-N 3.31Å; V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 3.18Å; V419-F422 PolarHBondContact O-N 2.9Å; V419-N423 WeakPolarHBondContact O-CB 3.46Å; V419-N423 PolarHBondContact O-N 2.97Å; V419-N423 PolarHBondContact O-ND2 2.97Å; V419-N423 PolarHBondContact O-OD1 2.97Å; V419-L439 HydrophobicContact CB-CD2 4.32Å; V419-L439 HydrophobicContact CG1-CB 4.43Å; V419-L439 HydrophobicContact CG2-CD1 4.14Å; V419-L439 HydrophobicContact CG2-CD2 4.13Å; V419-M465 HydrophobicContact CB-CE 4.36Å; V419-M465 HydrophobicContact CG1-CE 3.85Å
420	A	93.8	Very high	88.9	Confident	10 Å²	10	45.3 Å²	45.3	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-39.9	175.2	0	0	0	0	0	112.4	I416 H418 N423 A424 A460 L463 M465	I416-A420 WeakPolarHBondContact O-CB 3.41Å; I416-A420 PolarHBondContact O-N 3.12Å; H418-A420 VanDerWaalsContact C-N 3.32Å; H418-A420 PolarHBondContact O-N 3.19Å; A420-N423 PolarHBondContact O-N 2.95Å; A420-A424 VanDerWaalsContact O-CB 3.28Å; A420-A424 WeakPolarHBondContact O-CB 3.42Å; A420-A424 PolarHBondContact O-N 3.08Å; A420-A460 HydrophobicContact CB-CB 4.14Å; A420-L463 HydrophobicContact CB-CD1 3.83Å; A420-L463 VanDerWaalsContact O-CD1 3.24Å; A420-L463 WeakPolarHBondContact O-CD1 3.18Å; A420-M465 HydrophobicContact CB-SD 4.1Å
421	S	90.6	Very high	88.3	Confident	52 Å²	52	50.2 Å²	50.2	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-67.8	-37.1	178.7	77	0	0	0	0	112.6	N417 H418 V419 R425	N417-S421 WeakPolarHBondContact O-CB 3.41Å; N417-S421 PolarHBondContact O-N 2.94Å; N417-S421 PolarHBondContact O-OG 2.98Å; H418-S421 PolarHBondContact O-N 3.11Å; H418-S421 PolarHBondContact O-OG 3.1Å; V419-S421 VanDerWaalsContact C-N 3.33Å; V419-S421 PolarHBondContact O-N 3.18Å; S421-R425 VanDerWaalsContact O-CG 3.31Å; S421-R425 WeakPolarHBondContact O-CG 3.35Å; S421-R425 PolarHBondContact O-N 3.04Å; S421-R425 VanDerWaalsContact O-N 3.16Å
422	F	85.6	Confident	87.8	Confident	90 Å²	90	52.8 Å²	52.8	40%	0.395	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-47.4	173	-177.5	-94.2	0	0	0	110.4	H418 V419 A424 R425 Y426 F437	H418-F422 PolarHBondContact O-N 3.32Å; V419-F422 PolarHBondContact O-N 2.9Å; F422-A424 PolarHBondContact O-N 3.15Å; F422-R425 WeakPolarHBondContact O-CB 3.41Å; F422-R425 PolarHBondContact O-N 3.47Å; F422-Y426 PolarHBondContact O-N 3.27Å; F422-F437 AromaticContact CD1-CE1 3.91Å; F422-F437 HydrophobicContact CD1-CE1 3.91Å; F422-F437 HydrophobicContact CD1-CZ 4.21Å; F422-F437 AromaticContact CE1-CE1 3.62Å; F422-F437 HydrophobicContact CE1-CE1 3.62Å; F422-F437 AromaticContact CE1-CZ 3.87Å; F422-F437 HydrophobicContact CE1-CZ 3.87Å
423	N	84.8	Confident	87.4	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-39.9	178.3	-66.7	-11.6	0	0	0	112.4	V419 A420 Y426 A427 F437 L463 M465	V419-N423 WeakPolarHBondContact O-CB 3.46Å; V419-N423 PolarHBondContact O-N 2.97Å; V419-N423 PolarHBondContact O-ND2 2.97Å; V419-N423 PolarHBondContact O-OD1 2.97Å; A420-N423 PolarHBondContact O-N 2.95Å; N423-Y426 PolarHBondContact O-N 2.95Å; N423-A427 WeakPolarHBondContact O-CB 3.44Å; N423-A427 PolarHBondContact O-N 3.23Å; N423-F437 HydrophobicContact CB-CD2 4.34Å; N423-F437 VanDerWaalsContact CG-CD2 3.45Å; N423-F437 WeakPolarHBondContact ND2-CB 3.07Å; N423-F437 WeakPolarHBondContact OD1-CD1 3.41Å; N423-F437 WeakPolarHBondContact OD1-CD2 3.27Å; N423-F437 WeakPolarHBondContact OD1-CE1 3.13Å; N423-F437 VanDerWaalsContact OD1-CE2 3.3Å; N423-F437 WeakPolarHBondContact OD1-CE2 3.47Å; N423-F437 WeakPolarHBondContact OD1-CG 3.35Å; N423-L463 HydrophobicContact CB-CB 4.45Å; N423-L463 HydrophobicContact CB-CD1 4.19Å; N423-M465 WeakPolarHBondContact ND2-CB 3.45Å; N423-M465 PolarHBondContact ND2-SD 2.98Å
424	A	85.7	Confident	87	Confident	42 Å²	42	53.4 Å²	53.4	35%	0.347	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-41.9	176.4	0	0	0	0	0	111.7	A420 F422 S428 L463	A420-A424 VanDerWaalsContact O-CB 3.28Å; A420-A424 WeakPolarHBondContact O-CB 3.42Å; A420-A424 PolarHBondContact O-N 3.08Å; F422-A424 PolarHBondContact O-N 3.15Å; A424-S428 WeakPolarHBondContact O-CB 3.38Å; A424-S428 PolarHBondContact O-N 3.33Å; A424-S428 PolarHBondContact O-OG 3.34Å; A424-L463 HydrophobicContact CB-CD1 4.24Å; A424-L463 HydrophobicContact CB-CD2 4.01Å
425	R	83.9	Confident	86.8	Confident	185 Å²	185	53 Å²	53	70%	0.698	30%	0.3	S	S	*	.	H	α-helix	trans	-62	-45.3	174.1	-70.4	172.2	-173.2	-171.5	4.7	110.8	S421 F422 S428 A429	S421-R425 VanDerWaalsContact O-CG 3.31Å; S421-R425 WeakPolarHBondContact O-CG 3.35Å; S421-R425 PolarHBondContact O-N 3.04Å; S421-R425 VanDerWaalsContact O-N 3.16Å; F422-R425 WeakPolarHBondContact O-CB 3.41Å; F422-R425 PolarHBondContact O-N 3.47Å; R425-S428 PolarHBondContact O-N 2.77Å; R425-S428 PolarHBondContact O-OG 3.44Å; R425-A429 PolarHBondContact O-N 3.42Å
426	Y	78.3	Confident	86.7	Confident	66 Å²	66	53 Å²	53	26%	0.259	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-51.4	177.9	-167.8	-88.7	0	0	0	112	F422 N423 S428 A429 V430 S434 Q435 F437	F422-Y426 PolarHBondContact O-N 3.27Å; N423-Y426 PolarHBondContact O-N 2.95Å; Y426-S428 PolarHBondContact O-N 3.07Å; Y426-A429 CarbonylContact O-C 3.57Å; Y426-A429 WeakPolarHBondContact O-CA 3.28Å; Y426-A429 PolarHBondContact O-N 3.23Å; Y426-V430 HydrophobicContact CD1-CB 4.21Å; Y426-V430 HydrophobicContact CE1-CB 3.56Å; Y426-V430 HydrophobicContact CE1-CG1 3.82Å; Y426-V430 HydrophobicContact CE1-CG2 4.15Å; Y426-V430 HydrophobicContact CE2-CG2 4.28Å; Y426-V430 PolarHBondContact O-N 3.35Å; Y426-S434 PolarHBondContact OH-OG 3.33Å; Y426-Q435 HydrophobicContact CD1-CB 4.06Å; Y426-Q435 HydrophobicContact CD1-CG 4.19Å; Y426-Q435 HydrophobicContact CE1-CB 3.53Å; Y426-Q435 HydrophobicContact CE1-CG 3.3Å; Y426-Q435 HydrophobicContact CE2-CG 4.03Å; Y426-Q435 WeakPolarHBondContact OH-CG 3.29Å; Y426-F437 HydrophobicContact CD1-CE2 4.39Å; Y426-F437 HydrophobicContact CG-CZ 4.42Å
427	A	78.3	Confident	86.6	Confident	21 Å²	21	53.4 Å²	53.4	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-29.3	179.8	0	0	0	0	0	112.8	N423 A429 T431 P464	N423-A427 WeakPolarHBondContact O-CB 3.44Å; N423-A427 PolarHBondContact O-N 3.23Å; A427-A429 VanDerWaalsContact C-N 3.32Å; A427-T431 VanDerWaalsContact O-CG2 3.3Å; A427-T431 WeakPolarHBondContact O-CG2 3.38Å; A427-P464 HydrophobicContact CB-CG 4.4Å
428	S	77.8	Confident	86.6	Confident	101 Å²	101	50 Å²	50	71%	0.706	28%	0.284	S	S	*	.	H	α-helix	trans	-71.7	-26.3	173	75	0	0	0	0	113.5	A424 R425 Y426	A424-S428 WeakPolarHBondContact O-CB 3.38Å; A424-S428 PolarHBondContact O-N 3.33Å; A424-S428 PolarHBondContact O-OG 3.34Å; R425-S428 PolarHBondContact O-N 2.77Å; R425-S428 PolarHBondContact O-OG 3.44Å; Y426-S428 PolarHBondContact O-N 3.07Å
429	A	78.3	Confident	86.8	Confident	82 Å²	82	46.4 Å²	46.4	68%	0.678	27%	0.267	S	S	*	.	H	α-helix	trans	-94.6	-32.9	-179	0	0	0	0	0	112.8	R425 Y426 A427	R425-A429 PolarHBondContact O-N 3.42Å; Y426-A429 CarbonylContact O-C 3.57Å; Y426-A429 WeakPolarHBondContact O-CA 3.28Å; Y426-A429 PolarHBondContact O-N 3.23Å; A427-A429 VanDerWaalsContact C-N 3.32Å
430	V	80.6	Confident	87	Confident	43 Å²	43	46 Å²	46	26%	0.261	27%	0.265	S	S	.	.			trans	-137.3	117.2	-172.7	-179.3	0	0	0	0	109.2	Y426 D432 S434	Y426-V430 HydrophobicContact CD1-CB 4.21Å; Y426-V430 HydrophobicContact CE1-CB 3.56Å; Y426-V430 HydrophobicContact CE1-CG1 3.82Å; Y426-V430 HydrophobicContact CE1-CG2 4.15Å; Y426-V430 HydrophobicContact CE2-CG2 4.28Å; Y426-V430 PolarHBondContact O-N 3.35Å; V430-D432 WeakPolarHBondContact CG1-OD1 3.33Å; V430-S434 WeakPolarHBondContact CG1-OG 3.47Å
431	T	80.7	Confident	87.2	Confident	111 Å²	111	45.6 Å²	45.6	68%	0.681	26%	0.261	S	S	*	.			trans	-117.1	9.9	-174.4	52.5	0	0	0	0	113.3	A427 G433	A427-T431 VanDerWaalsContact O-CG2 3.3Å; A427-T431 WeakPolarHBondContact O-CG2 3.38Å; T431-G433 VanDerWaalsContact C-N 3.31Å; T431-G433 PolarHBondContact O-N 3.27Å
432	D	84.5	Confident	87.5	Confident	97 Å²	97	43.1 Å²	43.1	52%	0.519	24%	0.244	S	C	.	.	S	Bend	trans	-83.4	-2.4	-175.4	65.3	3.1	0	0	0	114.2	V430 S434 I545	V430-D432 WeakPolarHBondContact CG1-OD1 3.33Å; D432-S434 VanDerWaalsContact C-N 3.3Å; D432-S434 PolarHBondContact O-N 3.25Å; D432-S434 WeakPolarHBondContact OD1-CB 3.43Å; D432-S434 PolarHBondContact OD1-N 3.49Å; D432-S434 PolarHBondContact OD1-OG 3.31Å; D432-I545 VanDerWaalsContact O-CG2 3.25Å; D432-I545 WeakPolarHBondContact O-CG2 3.37Å
433	G	85.3	Confident	88	Confident	6 Å²	6	38.8 Å²	38.8	6%	0.062	23%	0.225	C	C	.	.	S	Bend	trans	71.2	20.6	-177.2	0	0	0	0	0	114.6	T303 T431 Q435 M540	T303-G433 WeakPolarHBondContact CG2-O 3.36Å; T303-G433 PolarHBondContact OG1-O 2.82Å; T431-G433 VanDerWaalsContact C-N 3.31Å; T431-G433 PolarHBondContact O-N 3.27Å; G433-Q435 PolarHBondContact O-N 3.47Å; G433-M540 WeakPolarHBondContact O-CE 3.12Å
434	S	88.9	Confident	88.2	Confident	24 Å²	24	39.3 Å²	39.3	17%	0.168	23%	0.228	C	C	.	.			trans	-67.8	-16.8	175.4	55.2	0	0	0	0	113.9	T303 Q304 Y426 V430 D432	T303-S434 CarbonylContact C-O 3.56Å; T303-S434 WeakPolarHBondContact CA-O 3.08Å; Q304-S434 PolarHBondContact N-O 3.15Å; Y426-S434 PolarHBondContact OH-OG 3.33Å; V430-S434 WeakPolarHBondContact CG1-OG 3.47Å; D432-S434 VanDerWaalsContact C-N 3.3Å; D432-S434 PolarHBondContact O-N 3.25Å; D432-S434 WeakPolarHBondContact OD1-CB 3.43Å; D432-S434 PolarHBondContact OD1-N 3.49Å; D432-S434 PolarHBondContact OD1-OG 3.31Å
435	Q	90.8	Very high	87.5	Confident	29 Å²	29	37.5 Å²	37.5	14%	0.136	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.3	-179.9	-55.8	-64.8	-40.8	0	0	111.1	N306 Y426 G433 F437	N306-Q435 PolarHBondContact ND2-OE1 2.85Å; N306-Q435 PolarHBondContact OD1-OE1 3.25Å; Y426-Q435 HydrophobicContact CD1-CB 4.06Å; Y426-Q435 HydrophobicContact CD1-CG 4.19Å; Y426-Q435 HydrophobicContact CE1-CB 3.53Å; Y426-Q435 HydrophobicContact CE1-CG 3.3Å; Y426-Q435 HydrophobicContact CE2-CG 4.03Å; Y426-Q435 WeakPolarHBondContact OH-CG 3.29Å; G433-Q435 PolarHBondContact O-N 3.47Å; Q435-F437 HydrophobicContact CB-CE2 3.88Å; Q435-F437 HydrophobicContact CB-CZ 4.12Å
436	Y	93.9	Very high	87.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.1	168.7	-164.6	-93	0	0	0	108.8	Q304 I305 N306 P464 S466 Q535 F536 Y539	Q304-Y436 PolarHBondContact O-N 3.16Å; I305-Y436 CarbonylContact C-O 3.6Å; I305-Y436 WeakPolarHBondContact CA-O 3.13Å; I305-Y436 HydrophobicContact CD1-CD1 4.41Å; I305-Y436 HydrophobicContact CD1-CG 4.49Å; N306-Y436 PolarHBondContact N-O 3.18Å; N306-Y436 PolarHBondContact ND2-O 2.79Å; N306-Y436 VanDerWaalsContact ND2-O 3.12Å; Y436-P464 HydrophobicContact CD2-CB 3.93Å; Y436-P464 HydrophobicContact CE2-CB 4.46Å; Y436-S466 PolarHBondContact OH-OG 3.47Å; Y436-Q535 PolarHBondContact OH-O 2.8Å; Y436-F536 AromaticContact CD1-CD2 3.98Å; Y436-F536 HydrophobicContact CD1-CD2 3.98Å; Y436-F536 AromaticContact CD2-CD2 3.56Å; Y436-F536 HydrophobicContact CD2-CD2 3.56Å; Y436-F536 HydrophobicContact CD2-CE2 4.07Å; Y436-F536 HydrophobicContact CD2-CG 4.49Å; Y436-F536 HydrophobicContact CE1-CB 4.42Å; Y436-F536 HydrophobicContact CE1-CD2 4.38Å; Y436-F536 HydrophobicContact CE2-CB 4.35Å; Y436-F536 AromaticContact CE2-CD2 3.99Å; Y436-F536 HydrophobicContact CE2-CD2 3.99Å; Y436-F536 AromaticContact CG-CD2 3.54Å; Y436-F536 HydrophobicContact CG-CD2 3.54Å; Y436-F536 HydrophobicContact CG-CE2 4.03Å; Y436-Y539 HydrophobicContact CD2-CD1 4.36Å; Y436-Y539 HydrophobicContact CE2-CD1 4.24Å; Y436-Y539 HydrophobicContact CE2-CG 4.21Å
437	F	94.9	Very high	87.7	Confident	8 Å²	8	29.6 Å²	29.6	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.4	-170.3	-63.8	-94.7	0	0	0	111.4	N306 F422 N423 Y426 Q435 P464 M465 S466	N306-F437 HydrophobicContact CB-CD1 3.38Å; N306-F437 HydrophobicContact CB-CE1 3.6Å; N306-F437 HydrophobicContact CB-CG 4.14Å; N306-F437 VanDerWaalsContact CG-CE1 3.49Å; N306-F437 CarbonylContact O-C 3.59Å; N306-F437 WeakPolarHBondContact O-CA 3.04Å; F422-F437 AromaticContact CD1-CE1 3.91Å; F422-F437 HydrophobicContact CD1-CE1 3.91Å; F422-F437 HydrophobicContact CD1-CZ 4.21Å; F422-F437 AromaticContact CE1-CE1 3.62Å; F422-F437 HydrophobicContact CE1-CE1 3.62Å; F422-F437 AromaticContact CE1-CZ 3.87Å; F422-F437 HydrophobicContact CE1-CZ 3.87Å; N423-F437 HydrophobicContact CB-CD2 4.34Å; N423-F437 VanDerWaalsContact CG-CD2 3.45Å; N423-F437 WeakPolarHBondContact ND2-CB 3.07Å; N423-F437 WeakPolarHBondContact OD1-CD1 3.41Å; N423-F437 WeakPolarHBondContact OD1-CD2 3.27Å; N423-F437 WeakPolarHBondContact OD1-CE1 3.13Å; N423-F437 VanDerWaalsContact OD1-CE2 3.3Å; N423-F437 WeakPolarHBondContact OD1-CE2 3.47Å; N423-F437 WeakPolarHBondContact OD1-CG 3.35Å; Y426-F437 HydrophobicContact CD1-CE2 4.39Å; Y426-F437 HydrophobicContact CG-CZ 4.42Å; Q435-F437 HydrophobicContact CB-CE2 3.88Å; Q435-F437 HydrophobicContact CB-CZ 4.12Å; F437-P464 HydrophobicContact CD2-CG 4.41Å; F437-P464 PolarHBondContact N-O 2.57Å; F437-M465 HydrophobicContact CB-CB 4.01Å; F437-M465 CarbonylContact O-C 3.54Å; F437-M465 WeakPolarHBondContact O-CA 3.3Å; F437-M465 WeakPolarHBondContact O-CB 3.37Å; F437-S466 PolarHBondContact O-N 3.04Å
438	I	96.1	Very high	88.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.9	173.6	-60.2	178.5	0	0	0	108.2	I305 N306 F307 T308 I348 S466 I468 I532	I305-I438 HydrophobicContact CG2-CD1 3.33Å; I305-I438 HydrophobicContact CG2-CG1 3.78Å; N306-I438 PolarHBondContact O-N 2.91Å; F307-I438 HydrophobicContact CD2-CB 4.25Å; F307-I438 HydrophobicContact CD2-CG2 4.16Å; F307-I438 HydrophobicContact CE2-CG2 4.33Å; T308-I438 PolarHBondContact N-O 3.37Å; I348-I438 HydrophobicContact CD1-CD1 4.01Å; I348-I438 HydrophobicContact CD1-CG2 4.02Å; I348-I438 HydrophobicContact CG1-CD1 4.49Å; I348-I438 HydrophobicContact CG2-CD1 4.38Å; I438-S466 WeakPolarHBondContact CA-O 3.39Å; I438-I468 HydrophobicContact CG2-CD1 3.59Å; I438-I468 HydrophobicContact CG2-CG1 4.19Å; I438-I532 HydrophobicContact CD1-CD1 4.45Å; I438-I532 HydrophobicContact CD1-CG2 3.68Å
439	L	97.4	Very high	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.8	170.8	170.4	57	0	0	0	109.2	T308 A310 I416 V419 I441 S466 I467 I468	T308-L439 HydrophobicContact CG2-CD1 3.96Å; T308-L439 WeakPolarHBondContact O-CA 3.44Å; A310-L439 HydrophobicContact CB-CD1 4Å; I416-L439 HydrophobicContact CG1-CD2 4.06Å; V419-L439 HydrophobicContact CB-CD2 4.32Å; V419-L439 HydrophobicContact CG1-CB 4.43Å; V419-L439 HydrophobicContact CG2-CD1 4.14Å; V419-L439 HydrophobicContact CG2-CD2 4.13Å; L439-I441 HydrophobicContact CD1-CG1 4.27Å; L439-I441 HydrophobicContact CD2-CD1 4.14Å; L439-I441 HydrophobicContact CD2-CG1 4.2Å; L439-I441 HydrophobicContact CG-CD1 4.39Å; L439-I441 HydrophobicContact CG-CG1 3.93Å; L439-S466 PolarHBondContact N-O 3.32Å; L439-I467 CarbonylContact O-C 3.36Å; L439-I467 WeakPolarHBondContact O-CA 3.25Å; L439-I468 PolarHBondContact O-N 2.97Å
440	L	97.6	Very high	89.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118.8	169	172.2	61.4	0	0	0	110.2	F307 T308 V309 A310 L341 I344 I442 I468 V470	F307-L440 HydrophobicContact CE2-CB 3.64Å; F307-L440 HydrophobicContact CE2-CD2 4.3Å; F307-L440 HydrophobicContact CZ-CB 3.84Å; F307-L440 HydrophobicContact CZ-CD2 3.71Å; F307-L440 HydrophobicContact CZ-CG 4.44Å; T308-L440 PolarHBondContact O-N 2.81Å; V309-L440 CarbonylContact C-O 3.53Å; A310-L440 PolarHBondContact N-O 3.32Å; L341-L440 HydrophobicContact CD2-CD2 4.31Å; I344-L440 HydrophobicContact CB-CD2 4.21Å; I344-L440 HydrophobicContact CD1-CD1 3.7Å; I344-L440 HydrophobicContact CD1-CD2 3.98Å; I344-L440 HydrophobicContact CG2-CD2 4.12Å; L440-I442 HydrophobicContact CD1-CG1 4.04Å; L440-I442 HydrophobicContact CD2-CD1 4.06Å; L440-I442 HydrophobicContact CD2-CG1 4.22Å; L440-I442 HydrophobicContact CG-CD1 4.32Å; L440-I442 HydrophobicContact CG-CG1 3.93Å; L440-I468 CarbonylContact C-O 3.56Å; L440-I468 WeakPolarHBondContact CA-O 3.3Å; L440-I468 HydrophobicContact CD1-CB 4.06Å; L440-I468 HydrophobicContact CD1-CG2 3.54Å; L440-V470 HydrophobicContact CD1-CG2 3.78Å
441	I	97.4	Very high	90.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.2	170.3	-54.2	-179.4	0	0	0	108	A310 F362 F412 V415 I416 L439 I467 I468 I469 V470	A310-I441 HydrophobicContact CB-CG1 4.31Å; A310-I441 WeakPolarHBondContact O-CA 3.48Å; F362-I441 HydrophobicContact CE1-CG2 4.07Å; F362-I441 HydrophobicContact CZ-CG2 4.01Å; F412-I441 HydrophobicContact CB-CD1 4.47Å; F412-I441 HydrophobicContact CD1-CG2 4.15Å; F412-I441 HydrophobicContact CD2-CD1 4.19Å; F412-I441 HydrophobicContact CD2-CG2 4.27Å; F412-I441 HydrophobicContact CE1-CG2 3.86Å; F412-I441 HydrophobicContact CE2-CG2 3.97Å; F412-I441 HydrophobicContact CG-CD1 4.31Å; F412-I441 HydrophobicContact CG-CG2 4.37Å; F412-I441 HydrophobicContact CZ-CG2 3.77Å; V415-I441 HydrophobicContact CG2-CD1 4.3Å; I416-I441 HydrophobicContact CD1-CD1 4.23Å; I416-I441 HydrophobicContact CG1-CD1 3.97Å; L439-I441 HydrophobicContact CD1-CG1 4.27Å; L439-I441 HydrophobicContact CD2-CD1 4.14Å; L439-I441 HydrophobicContact CD2-CG1 4.2Å; L439-I441 HydrophobicContact CG-CD1 4.39Å; L439-I441 HydrophobicContact CG-CG1 3.93Å; I441-I467 HydrophobicContact CD1-CG2 3.97Å; I441-I467 HydrophobicContact CG1-CG2 4.39Å; I441-I468 PolarHBondContact N-O 2.83Å; I441-I469 HydrophobicContact CB-CG1 4.39Å; I441-I469 CarbonylContact O-C 3.54Å; I441-I469 WeakPolarHBondContact O-CA 3.23Å; I441-V470 PolarHBondContact O-N 3.16Å
442	I	96.9	Very high	91.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.3	172.9	-47.9	173.3	0	0	0	107.8	A310 D312 Y337 A340 L341 L440 V470 V472	A310-I442 PolarHBondContact O-N 2.66Å; D312-I442 WeakPolarHBondContact CB-O 3.24Å; D312-I442 PolarHBondContact N-O 3.24Å; Y337-I442 HydrophobicContact CD1-CB 3.78Å; Y337-I442 HydrophobicContact CD1-CG2 3.32Å; Y337-I442 HydrophobicContact CE1-CB 3.98Å; Y337-I442 HydrophobicContact CE1-CG2 3.56Å; Y337-I442 WeakPolarHBondContact CE1-O 3.43Å; Y337-I442 HydrophobicContact CG-CG2 4.15Å; A340-I442 HydrophobicContact CB-CD1 4.01Å; L341-I442 HydrophobicContact CB-CD1 4.49Å; L341-I442 HydrophobicContact CD2-CD1 3.54Å; L341-I442 HydrophobicContact CG-CD1 3.52Å; L440-I442 HydrophobicContact CD1-CG1 4.04Å; L440-I442 HydrophobicContact CD2-CD1 4.06Å; L440-I442 HydrophobicContact CD2-CG1 4.22Å; L440-I442 HydrophobicContact CG-CD1 4.32Å; L440-I442 HydrophobicContact CG-CG1 3.93Å; I442-V470 WeakPolarHBondContact CA-O 3.28Å; I442-V470 HydrophobicContact CG1-CB 4.4Å; I442-V470 HydrophobicContact CG2-CB 4.37Å; I442-V472 HydrophobicContact CG2-CG1 3.73Å; I442-V472 HydrophobicContact CG2-CG2 4.3Å
443	S	95.2	Very high	91.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.8	-175	178	0	0	0	0	112.2	D312 F412 V470 G471 V472	D312-S443 WeakPolarHBondContact OD2-CB 3.19Å; D312-S443 PolarHBondContact OD2-OG 3.36Å; F412-S443 VanDerWaalsContact CZ-CB 3.5Å; S443-V470 PolarHBondContact N-O 3.38Å; S443-V470 VanDerWaalsContact N-O 3.1Å; S443-G471 CarbonylContact O-C 3.47Å; S443-G471 WeakPolarHBondContact O-CA 3.05Å; S443-V472 WeakPolarHBondContact O-CG2 3.39Å; S443-V472 PolarHBondContact O-N 3.42Å
444	D	90.8	Very high	92.3	Very high	11 Å²	11	22.9 Å²	22.9	6%	0.059	13%	0.133	C	C	.	.			trans	-94.8	10.7	-177.4	76.9	-35.2	0	0	0	115.6	S316 N317 L326 Y337 V472 A475	S316-D444 WeakPolarHBondContact CB-OD2 3.01Å; S316-D444 VanDerWaalsContact OG-CG 3.26Å; S316-D444 PolarHBondContact OG-OD1 2.87Å; S316-D444 PolarHBondContact OG-OD2 3.12Å; N317-D444 PolarHBondContact N-OD2 2.84Å; N317-D444 PolarHBondContact ND2-OD1 3.33Å; N317-D444 WeakPolarHBondContact OD1-CB 3.43Å; L326-D444 HydrophobicContact CD1-CB 3.49Å; L326-D444 VanDerWaalsContact CD1-CB 3.49Å; Y337-D444 PolarHBondContact OH-N 3.47Å; D444-V472 VanDerWaalsContact CA-O 3.28Å; D444-V472 WeakPolarHBondContact CA-O 3.5Å; D444-V472 HydrophobicContact CB-CG2 4.24Å; D444-A475 WeakPolarHBondContact O-CB 3.37Å
445	G	70.6	Confident	92.6	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	14%	0.138	C	C	.	.	S	Bend	trans	122.2	-1.6	153.1	0	0	0	0	0	119
446	V	77.8	Confident	92.9	Very high	81 Å²	81	23.4 Å²	23.4	49%	0.491	13%	0.133	S	C	.	.			trans	-121.3	106.4	-174.7	-175.5	0	0	0	0	110.6	T410	T410-V446 WeakPolarHBondContact CB-O 3.29Å; T410-V446 VanDerWaalsContact CG2-O 3.29Å; T410-V446 WeakPolarHBondContact CG2-O 3.13Å; T410-V446 PolarHBondContact OG1-O 2.88Å
447	I	88.1	Confident	93	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	13%	0.134	C	C	.	.			trans	-91.1	116.5	-179.9	-56.6	176.9	0	0	0	108.7	F412 D449 M450 E479 M480 L483	F412-I447 HydrophobicContact CD2-CD1 3.76Å; F412-I447 HydrophobicContact CD2-CG1 4.15Å; F412-I447 HydrophobicContact CE2-CD1 3.53Å; F412-I447 HydrophobicContact CE2-CG1 3.8Å; F412-I447 HydrophobicContact CZ-CD1 4.24Å; F412-I447 HydrophobicContact CZ-CG1 4Å; I447-D449 WeakPolarHBondContact CG2-OD1 3.31Å; I447-M450 HydrophobicContact CD1-SD 4.48Å; I447-M450 HydrophobicContact CG2-CB 4.48Å; I447-E479 WeakPolarHBondContact CB-OE2 3.39Å; I447-E479 PolarHBondContact N-OE2 2.82Å; I447-M480 HydrophobicContact CD1-CE 4.46Å; I447-M480 HydrophobicContact CD1-CG 4.07Å; I447-M480 HydrophobicContact CG1-CE 4.21Å; I447-L483 HydrophobicContact CD1-CD1 3.52Å
448	T	91.3	Very high	93.1	Very high	82 Å²	82	23.6 Å²	23.6	50%	0.503	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-24.4	-179.1	-49.8	0	0	0	0	112.7	P409 T410	P409-T448 HydrophobicContact CB-CG2 3.68Å; P409-T448 WeakPolarHBondContact CB-OG1 3.21Å; P409-T448 HydrophobicContact CG-CG2 4.41Å; T410-T448 WeakPolarHBondContact O-CB 3.21Å; T410-T448 PolarHBondContact O-N 2.85Å
449	D	94.1	Very high	93	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.032	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	44.7	-177	68.7	-20.8	0	0	0	113	H411 F412 S413 I447 A451 Q452 T453	H411-D449 VanDerWaalsContact CA-CG 3.5Å; H411-D449 VanDerWaalsContact CA-OD1 3.27Å; H411-D449 WeakPolarHBondContact CA-OD1 3.37Å; H411-D449 WeakPolarHBondContact CA-OD2 3.13Å; H411-D449 HydrophobicContact CB-CB 4.49Å; H411-D449 WeakPolarHBondContact CB-OD2 3.23Å; H411-D449 IonicContact CD2-OD2 3.44Å; H411-D449 IonicContact CG-OD2 2.81Å; F412-D449 PolarHBondContact N-OD1 2.83Å; F412-D449 PolarHBondContact N-OD2 3.37Å; S413-D449 WeakPolarHBondContact CB-OD2 3.49Å; S413-D449 PolarHBondContact N-OD2 2.87Å; S413-D449 PolarHBondContact OG-OD2 3.11Å; I447-D449 WeakPolarHBondContact CG2-OD1 3.31Å; D449-A451 VanDerWaalsContact C-N 3.32Å; D449-A451 PolarHBondContact O-N 2.9Å; D449-Q452 HydrophobicContact CB-CB 4.24Å; D449-Q452 PolarHBondContact O-N 2.89Å; D449-Q452 VanDerWaalsContact O-N 3.15Å; D449-Q452 PolarHBondContact O-OE1 3.2Å; D449-T453 WeakPolarHBondContact O-CB 3.28Å; D449-T453 PolarHBondContact O-N 3.39Å; D449-T453 PolarHBondContact O-OG1 2.89Å; D449-T453 VanDerWaalsContact O-OG1 3.06Å; D449-T453 PolarHBondContact OD1-OG1 3.17Å; D449-T453 VanDerWaalsContact OD1-OG1 3.05Å
450	M	93.1	Very high	93	Very high	26 Å²	26	26.8 Å²	26.8	13%	0.128	15%	0.152	C	C	.	.	H	α-helix	trans	-55	-43.2	-173.6	-173.5	55.2	164.8	0	0	113.5	I447 Q452 T453 K454 E479 E482 L483	I447-M450 HydrophobicContact CD1-SD 4.48Å; I447-M450 HydrophobicContact CG2-CB 4.48Å; M450-Q452 PolarHBondContact O-N 2.93Å; M450-T453 PolarHBondContact O-N 3.44Å; M450-K454 VanDerWaalsContact CE-CE 3.41Å; M450-K454 WeakPolarHBondContact O-CG 3.01Å; M450-K454 PolarHBondContact O-N 2.66Å; M450-E479 HydrophobicContact CE-CB 4.24Å; M450-E479 VanDerWaalsContact CE-O 3.25Å; M450-E479 WeakPolarHBondContact CE-O 3.46Å; M450-E482 HydrophobicContact CE-CB 4.04Å; M450-E482 HydrophobicContact CE-CG 4.26Å; M450-E482 WeakPolarHBondContact CE-OE2 3.45Å; M450-L483 HydrophobicContact CE-CD2 3.5Å; M450-L483 VanDerWaalsContact CE-CD2 3.5Å; M450-L483 HydrophobicContact CE-CG 3.71Å; M450-L483 HydrophobicContact SD-CD1 4.29Å; M450-L483 HydrophobicContact SD-CD2 3.79Å; M450-L483 HydrophobicContact SD-CG 4.08Å
451	A	94.8	Very high	92.8	Very high	66 Å²	66	26.8 Å²	26.8	55%	0.545	15%	0.152	S	C	.	.	H	α-helix	trans	-64.3	-42.6	179.8	0	0	0	0	0	112.5	D449 E455	D449-A451 VanDerWaalsContact C-N 3.32Å; D449-A451 PolarHBondContact O-N 2.9Å; A451-E455 PolarHBondContact O-N 2.86Å; A451-E455 VanDerWaalsContact O-N 3.12Å
452	Q	96.2	Very high	92.6	Very high	99 Å²	99	29 Å²	29	46%	0.463	17%	0.167	S	C	.	.	H	α-helix	trans	-69.4	-37.7	176.8	-63.7	81.8	-8.6	0	0	110.9	D449 M450 E455 S456	D449-Q452 HydrophobicContact CB-CB 4.24Å; D449-Q452 PolarHBondContact O-N 2.89Å; D449-Q452 VanDerWaalsContact O-N 3.15Å; D449-Q452 PolarHBondContact O-OE1 3.2Å; M450-Q452 PolarHBondContact O-N 2.93Å; Q452-E455 PolarHBondContact O-N 3.16Å; Q452-S456 WeakPolarHBondContact O-CB 3.2Å; Q452-S456 PolarHBondContact O-N 3.45Å; Q452-S456 PolarHBondContact O-OG 2.98Å
453	T	96	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-45.9	177	-68.2	0	0	0	0	111	F412 S413 I416 D449 M450 E455 S456 I457 L483	F412-T453 HydrophobicContact CB-CG2 4.04Å; F412-T453 HydrophobicContact CD2-CG2 4.49Å; S413-T453 PolarHBondContact N-OG1 3.12Å; I416-T453 HydrophobicContact CD1-CG2 4.01Å; D449-T453 WeakPolarHBondContact O-CB 3.28Å; D449-T453 PolarHBondContact O-N 3.39Å; D449-T453 PolarHBondContact O-OG1 2.89Å; D449-T453 VanDerWaalsContact O-OG1 3.06Å; D449-T453 PolarHBondContact OD1-OG1 3.17Å; D449-T453 VanDerWaalsContact OD1-OG1 3.05Å; M450-T453 PolarHBondContact O-N 3.44Å; T453-E455 VanDerWaalsContact C-N 3.33Å; T453-E455 PolarHBondContact O-N 3.44Å; T453-S456 WeakPolarHBondContact O-CB 3.37Å; T453-S456 PolarHBondContact O-N 2.93Å; T453-I457 HydrophobicContact CG2-CD1 3.86Å; T453-I457 WeakPolarHBondContact O-CD1 3.48Å; T453-I457 VanDerWaalsContact O-CG1 3.3Å; T453-I457 WeakPolarHBondContact O-CG1 3.11Å; T453-I457 PolarHBondContact O-N 2.79Å; T453-L483 HydrophobicContact CG2-CD1 3.77Å; T453-L483 HydrophobicContact CG2-CD2 4.35Å
454	K	95.9	Very high	92.5	Very high	40 Å²	40	30.2 Å²	30.2	17%	0.174	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-43.9	171.5	-72.4	-176.6	-172.9	174.8	0	112.3	M450 I457 V458 E482 L483 I490	M450-K454 VanDerWaalsContact CE-CE 3.41Å; M450-K454 WeakPolarHBondContact O-CG 3.01Å; M450-K454 PolarHBondContact O-N 2.66Å; K454-I457 PolarHBondContact O-N 3.42Å; K454-V458 WeakPolarHBondContact O-CB 3.46Å; K454-V458 VanDerWaalsContact O-CG2 3.26Å; K454-V458 WeakPolarHBondContact O-CG2 3.3Å; K454-V458 PolarHBondContact O-N 2.71Å; K454-E482 WeakPolarHBondContact CE-OE2 3.45Å; K454-E482 IonicContact NZ-OE1 3.86Å; K454-E482 PolarHBondContact NZ-OE1 2.95Å; K454-E482 IonicContact NZ-OE2 2.7Å; K454-E482 PolarHBondContact NZ-OE2 2.78Å; K454-L483 HydrophobicContact CG-CD2 3.97Å; K454-I490 HydrophobicContact CB-CG2 4.28Å; K454-I490 HydrophobicContact CG-CG2 4.19Å
455	E	96.5	Very high	92.7	Very high	61 Å²	61	29.7 Å²	29.7	29%	0.285	17%	0.171	S	C	.	.	H	α-helix	trans	-62.2	-43.9	176.9	-176.5	169.6	-158	0	0	112.3	A451 Q452 T453 V458 N459 Q493	A451-E455 PolarHBondContact O-N 2.86Å; A451-E455 VanDerWaalsContact O-N 3.12Å; Q452-E455 PolarHBondContact O-N 3.16Å; T453-E455 VanDerWaalsContact C-N 3.33Å; T453-E455 PolarHBondContact O-N 3.44Å; E455-V458 PolarHBondContact O-N 3.25Å; E455-N459 WeakPolarHBondContact O-CB 3.15Å; E455-N459 PolarHBondContact O-N 3.27Å; E455-N459 PolarHBondContact O-ND2 2.96Å; E455-N459 VanDerWaalsContact O-ND2 3.14Å; E455-Q493 VanDerWaalsContact CD-NE2 3.29Å; E455-Q493 PolarHBondContact OE1-NE2 3.4Å; E455-Q493 PolarHBondContact OE2-NE2 2.93Å
456	S	96.8	Very high	94	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-43.6	175.3	-71.8	0	0	0	0	112.2	N417 Q452 T453 N459 A460	N417-S456 PolarHBondContact ND2-OG 3.43Å; N417-S456 WeakPolarHBondContact OD1-CB 3.34Å; N417-S456 PolarHBondContact OD1-OG 3.35Å; Q452-S456 WeakPolarHBondContact O-CB 3.2Å; Q452-S456 PolarHBondContact O-N 3.45Å; Q452-S456 PolarHBondContact O-OG 2.98Å; T453-S456 WeakPolarHBondContact O-CB 3.37Å; T453-S456 PolarHBondContact O-N 2.93Å; S456-N459 PolarHBondContact O-N 2.83Å; S456-A460 VanDerWaalsContact O-CB 3.24Å; S456-A460 WeakPolarHBondContact O-CB 2.93Å; S456-A460 PolarHBondContact O-N 3.09Å
457	I	96.5	Very high	94.9	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-46.9	177.3	-67.3	160.7	0	0	0	111.1	I416 T453 K454 N459 A460 A461 I467 L483 I490 I501 V502	I416-I457 HydrophobicContact CD1-CG1 4.13Å; T453-I457 HydrophobicContact CG2-CD1 3.86Å; T453-I457 WeakPolarHBondContact O-CD1 3.48Å; T453-I457 VanDerWaalsContact O-CG1 3.3Å; T453-I457 WeakPolarHBondContact O-CG1 3.11Å; T453-I457 PolarHBondContact O-N 2.79Å; K454-I457 PolarHBondContact O-N 3.42Å; I457-N459 VanDerWaalsContact C-N 3.26Å; I457-N459 PolarHBondContact O-N 3.37Å; I457-A460 CarbonylContact O-C 3.03Å; I457-A460 PolarHBondContact O-N 3.35Å; I457-A460 VanDerWaalsContact O-N 3.09Å; I457-A461 PolarHBondContact O-N 3.22Å; I457-I467 HydrophobicContact CG1-CD1 4.11Å; I457-L483 HydrophobicContact CD1-CD1 4.23Å; I457-L483 HydrophobicContact CD1-CD2 3.74Å; I457-L483 HydrophobicContact CD1-CG 4.4Å; I457-I490 HydrophobicContact CD1-CD1 4.47Å; I457-I490 HydrophobicContact CG2-CD1 3.62Å; I457-I490 HydrophobicContact CG2-CG2 4.42Å; I457-I501 HydrophobicContact CG2-CD1 4.13Å; I457-I501 HydrophobicContact CG2-CG1 4.04Å; I457-V502 HydrophobicContact CD1-CG2 3.96Å; I457-V502 HydrophobicContact CG1-CG2 4.19Å; I457-V502 HydrophobicContact CG2-CG2 3.82Å
458	V	96.2	Very high	95.3	Very high	11 Å²	11	25.4 Å²	25.4	7%	0.067	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-39.6	177.8	169.4	0	0	0	0	111.3	K454 E455 I490 R495 A497	K454-V458 WeakPolarHBondContact O-CB 3.46Å; K454-V458 VanDerWaalsContact O-CG2 3.26Å; K454-V458 WeakPolarHBondContact O-CG2 3.3Å; K454-V458 PolarHBondContact O-N 2.71Å; E455-V458 PolarHBondContact O-N 3.25Å; V458-I490 HydrophobicContact CG2-CG2 4.1Å; V458-R495 HydrophobicContact CG1-CB 4.21Å; V458-A497 HydrophobicContact CG2-CB 4.31Å
459	N	94.6	Very high	95.5	Very high	67 Å²	67	21.5 Å²	21.5	36%	0.358	12%	0.121	S	C	.	.	H	α-helix	trans	-70.8	-38.1	176.3	-66.3	-28.5	0	0	0	111.9	E455 S456 I457 S462 R495	E455-N459 WeakPolarHBondContact O-CB 3.15Å; E455-N459 PolarHBondContact O-N 3.27Å; E455-N459 PolarHBondContact O-ND2 2.96Å; E455-N459 VanDerWaalsContact O-ND2 3.14Å; S456-N459 PolarHBondContact O-N 2.83Å; I457-N459 VanDerWaalsContact C-N 3.26Å; I457-N459 PolarHBondContact O-N 3.37Å; N459-S462 PolarHBondContact O-OG 3.07Å; N459-R495 PolarHBondContact OD1-NH1 3.05Å; N459-R495 PolarHBondContact OD1-NH2 2.77Å
460	A	95.8	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-72	-24.9	179	0	0	0	0	0	113.8	A420 S456 I457 S462 L463 M465 I501	A420-A460 HydrophobicContact CB-CB 4.14Å; S456-A460 VanDerWaalsContact O-CB 3.24Å; S456-A460 WeakPolarHBondContact O-CB 2.93Å; S456-A460 PolarHBondContact O-N 3.09Å; I457-A460 CarbonylContact O-C 3.03Å; I457-A460 PolarHBondContact O-N 3.35Å; I457-A460 VanDerWaalsContact O-N 3.09Å; A460-S462 PolarHBondContact O-N 2.79Å; A460-L463 VanDerWaalsContact O-CB 3.29Å; A460-L463 WeakPolarHBondContact O-CB 3.42Å; A460-L463 PolarHBondContact O-N 3.16Å; A460-M465 HydrophobicContact CB-CE 4.42Å; A460-M465 HydrophobicContact CB-CG 4.49Å; A460-M465 HydrophobicContact CB-SD 3.82Å; A460-I501 HydrophobicContact CB-CD1 3.86Å
461	A	95.2	Very high	95.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.6	-177	0	0	0	0	0	114.4	I457 A497 E498 R499 I501	I457-A461 PolarHBondContact O-N 3.22Å; A461-A497 HydrophobicContact CB-CB 3.78Å; A461-E498 HydrophobicContact CB-CB 4.48Å; A461-R499 PolarHBondContact O-NE 2.91Å; A461-R499 PolarHBondContact O-NH2 2.82Å; A461-I501 HydrophobicContact CB-CD1 4.44Å
462	S	92.9	Very high	95.5	Very high	45 Å²	45	16.9 Å²	16.9	32%	0.315	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.3	177.1	69.1	0	0	0	0	114.5	N459 A460 E498 R543	N459-S462 PolarHBondContact O-OG 3.07Å; A460-S462 PolarHBondContact O-N 2.79Å; S462-E498 WeakPolarHBondContact CA-OE2 3.31Å; S462-E498 VanDerWaalsContact CB-OE2 3.28Å; S462-E498 WeakPolarHBondContact CB-OE2 3.41Å; S462-R543 PolarHBondContact O-NH2 3.12Å
463	L	94.8	Very high	95.2	Very high	22 Å²	22	12.7 Å²	12.7	12%	0.115	7%	0.071	C	C	.	.	S	Bend	trans	-94.7	161.5	-172.8	-59	178.1	0	0	0	112.1	A420 N423 A424 A460 M465 R499	A420-L463 HydrophobicContact CB-CD1 3.83Å; A420-L463 VanDerWaalsContact O-CD1 3.24Å; A420-L463 WeakPolarHBondContact O-CD1 3.18Å; N423-L463 HydrophobicContact CB-CB 4.45Å; N423-L463 HydrophobicContact CB-CD1 4.19Å; A424-L463 HydrophobicContact CB-CD1 4.24Å; A424-L463 HydrophobicContact CB-CD2 4.01Å; A460-L463 VanDerWaalsContact O-CB 3.29Å; A460-L463 WeakPolarHBondContact O-CB 3.42Å; A460-L463 PolarHBondContact O-N 3.16Å; L463-M465 HydrophobicContact CB-CG 4.18Å; L463-M465 HydrophobicContact CB-SD 4.4Å; L463-M465 HydrophobicContact CD1-SD 4.36Å; L463-M465 PolarHBondContact O-N 3.43Å; L463-R499 PolarHBondContact O-NH2 3.02Å
464	P	94.9	Very high	94.7	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.026	10%	0.104	C	C	.	.	S	Bend	trans	-74	62.2	176.3	31.1	-36.2	0	0	0	111.6	A427 Y436 F437 Y539	A427-P464 HydrophobicContact CB-CG 4.4Å; Y436-P464 HydrophobicContact CD2-CB 3.93Å; Y436-P464 HydrophobicContact CE2-CB 4.46Å; F437-P464 HydrophobicContact CD2-CG 4.41Å; F437-P464 PolarHBondContact N-O 2.57Å; P464-Y539 HydrophobicContact CB-CD1 4.13Å; P464-Y539 HydrophobicContact CB-CE1 3.56Å; P464-Y539 HydrophobicContact CB-CE2 4.09Å
465	M	95.5	Very high	94.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.6	-179.3	70.2	-177.1	-74.8	0	0	114.9	V419 A420 N423 F437 A460 L463 I467 I501	V419-M465 HydrophobicContact CB-CE 4.36Å; V419-M465 HydrophobicContact CG1-CE 3.85Å; A420-M465 HydrophobicContact CB-SD 4.1Å; N423-M465 WeakPolarHBondContact ND2-CB 3.45Å; N423-M465 PolarHBondContact ND2-SD 2.98Å; F437-M465 HydrophobicContact CB-CB 4.01Å; F437-M465 CarbonylContact O-C 3.54Å; F437-M465 WeakPolarHBondContact O-CA 3.3Å; F437-M465 WeakPolarHBondContact O-CB 3.37Å; A460-M465 HydrophobicContact CB-CE 4.42Å; A460-M465 HydrophobicContact CB-CG 4.49Å; A460-M465 HydrophobicContact CB-SD 3.82Å; L463-M465 HydrophobicContact CB-CG 4.18Å; L463-M465 HydrophobicContact CB-SD 4.4Å; L463-M465 HydrophobicContact CD1-SD 4.36Å; L463-M465 PolarHBondContact O-N 3.43Å; M465-I467 HydrophobicContact CE-CD1 4.19Å; M465-I467 HydrophobicContact CE-CG1 3.89Å; M465-I501 WeakPolarHBondContact O-CG2 3.34Å
466	S	96.8	Very high	93.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.5	167.3	-69.9	0	0	0	0	110.2	Y436 F437 I438 L439 I501 Q535	Y436-S466 PolarHBondContact OH-OG 3.47Å; F437-S466 PolarHBondContact O-N 3.04Å; I438-S466 WeakPolarHBondContact CA-O 3.39Å; L439-S466 PolarHBondContact N-O 3.32Å; S466-I501 CarbonylContact C-O 3.59Å; S466-I501 WeakPolarHBondContact CA-O 3.43Å; S466-Q535 VanDerWaalsContact CB-OE1 3.26Å; S466-Q535 PolarHBondContact OG-OE1 3.03Å
467	I	97	Very high	93.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122	179.8	-56.6	171.8	0	0	0	107	I416 L439 I441 I457 M465 I469 I501 V502 Q503	I416-I467 HydrophobicContact CD1-CD1 4.3Å; I416-I467 HydrophobicContact CG1-CD1 4.25Å; I416-I467 HydrophobicContact CG2-CD1 3.9Å; L439-I467 CarbonylContact O-C 3.36Å; L439-I467 WeakPolarHBondContact O-CA 3.25Å; I441-I467 HydrophobicContact CD1-CG2 3.97Å; I441-I467 HydrophobicContact CG1-CG2 4.39Å; I457-I467 HydrophobicContact CG1-CD1 4.11Å; M465-I467 HydrophobicContact CE-CD1 4.19Å; M465-I467 HydrophobicContact CE-CG1 3.89Å; I467-I469 HydrophobicContact CG2-CD1 4.5Å; I467-I469 HydrophobicContact CG2-CG1 4.05Å; I467-I501 HydrophobicContact CD1-CD1 3.96Å; I467-I501 HydrophobicContact CG1-CD1 4.39Å; I467-I501 PolarHBondContact N-O 2.78Å; I467-V502 HydrophobicContact CB-CG2 4.36Å; I467-V502 CarbonylContact O-C 3.59Å; I467-V502 VanDerWaalsContact O-CA 3.24Å; I467-V502 WeakPolarHBondContact O-CA 3.36Å; I467-Q503 PolarHBondContact O-N 2.83Å
468	I	96.3	Very high	93	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.2	173.4	-66.7	169.2	0	0	0	107.2	I344 I348 I438 L439 L440 I441 V470 Q503 V528 L529 I532	I344-I468 HydrophobicContact CD1-CG2 4.49Å; I348-I468 HydrophobicContact CD1-CD1 4.46Å; I438-I468 HydrophobicContact CG2-CD1 3.59Å; I438-I468 HydrophobicContact CG2-CG1 4.19Å; L439-I468 PolarHBondContact O-N 2.97Å; L440-I468 CarbonylContact C-O 3.56Å; L440-I468 WeakPolarHBondContact CA-O 3.3Å; L440-I468 HydrophobicContact CD1-CB 4.06Å; L440-I468 HydrophobicContact CD1-CG2 3.54Å; I441-I468 PolarHBondContact N-O 2.83Å; I468-V470 HydrophobicContact CG2-CG2 4.1Å; I468-Q503 CarbonylContact C-O 3.6Å; I468-Q503 WeakPolarHBondContact CA-O 3.32Å; I468-V528 HydrophobicContact CB-CG1 4.34Å; I468-V528 HydrophobicContact CD1-CG1 3.81Å; I468-V528 HydrophobicContact CG1-CG1 4.18Å; I468-V528 HydrophobicContact CG2-CG1 3.28Å; I468-L529 HydrophobicContact CD1-CD2 3.88Å; I468-I532 HydrophobicContact CD1-CD1 3.99Å; I468-I532 HydrophobicContact CD1-CG1 4.25Å; I468-I532 HydrophobicContact CG1-CD1 4.02Å
469	I	95.2	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.1	175.6	-53.5	178.4	0	0	0	108.3	F412 I441 I467 M480 L483 V502 Q503 F504 V505	F412-I469 HydrophobicContact CD2-CD1 4.4Å; F412-I469 HydrophobicContact CE2-CD1 4.24Å; F412-I469 HydrophobicContact CE2-CG2 4.06Å; I441-I469 HydrophobicContact CB-CG1 4.39Å; I441-I469 CarbonylContact O-C 3.54Å; I441-I469 WeakPolarHBondContact O-CA 3.23Å; I467-I469 HydrophobicContact CG2-CD1 4.5Å; I467-I469 HydrophobicContact CG2-CG1 4.05Å; I469-M480 HydrophobicContact CG2-CG 4.45Å; I469-M480 HydrophobicContact CG2-SD 3.91Å; I469-L483 HydrophobicContact CD1-CD1 3.97Å; I469-V502 HydrophobicContact CD1-CG1 3.82Å; I469-V502 HydrophobicContact CG1-CG1 4.22Å; I469-Q503 PolarHBondContact N-O 2.81Å; I469-F504 HydrophobicContact CB-CD2 4.08Å; I469-F504 HydrophobicContact CG2-CD2 3.92Å; I469-F504 HydrophobicContact CG2-CE2 4.45Å; I469-F504 WeakPolarHBondContact O-CA 3.3Å; I469-F504 WeakPolarHBondContact O-CD2 3.44Å; I469-V505 PolarHBondContact O-N 3.32Å
470	V	95.3	Very high	92.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.2	174.7	-178.7	0	0	0	0	109.6	A340 I344 L440 I441 I442 S443 I468 V472 V505 F507 L524 V528	A340-V470 HydrophobicContact CB-CG1 3.95Å; I344-V470 HydrophobicContact CD1-CG2 3.61Å; L440-V470 HydrophobicContact CD1-CG2 3.78Å; I441-V470 PolarHBondContact O-N 3.16Å; I442-V470 WeakPolarHBondContact CA-O 3.28Å; I442-V470 HydrophobicContact CG1-CB 4.4Å; I442-V470 HydrophobicContact CG2-CB 4.37Å; S443-V470 PolarHBondContact N-O 3.38Å; S443-V470 VanDerWaalsContact N-O 3.1Å; I468-V470 HydrophobicContact CG2-CG2 4.1Å; V470-V472 HydrophobicContact CG1-CG1 4.3Å; V470-V505 WeakPolarHBondContact CA-O 3.12Å; V470-F507 HydrophobicContact CG1-CB 3.96Å; V470-L524 HydrophobicContact CG1-CD1 4.3Å; V470-V528 HydrophobicContact CG2-CG2 4.21Å
471	G	94.6	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.3	175.2	0	0	0	0	0	111.1	S443 V505 F507	S443-G471 CarbonylContact O-C 3.47Å; S443-G471 WeakPolarHBondContact O-CA 3.05Å; G471-V505 PolarHBondContact N-O 2.75Å; G471-F507 WeakPolarHBondContact O-CB 3.15Å; G471-F507 PolarHBondContact O-N 3.02Å
472	V	93.1	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.			trans	-111.7	155.7	177.4	-62.9	0	0	0	0	112	L326 D336 Y337 I442 S443 D444 V470 F507	L326-V472 HydrophobicContact CD1-CG2 4.45Å; D336-V472 HydrophobicContact CB-CB 3.9Å; D336-V472 HydrophobicContact CB-CG1 3.85Å; Y337-V472 HydrophobicContact CD1-CG2 4.48Å; Y337-V472 HydrophobicContact CD2-CG2 4.05Å; Y337-V472 HydrophobicContact CE1-CG2 3.97Å; Y337-V472 HydrophobicContact CE2-CG2 3.48Å; Y337-V472 VanDerWaalsContact CE2-CG2 3.48Å; Y337-V472 VanDerWaalsContact CZ-CG2 3.41Å; I442-V472 HydrophobicContact CG2-CG1 3.73Å; I442-V472 HydrophobicContact CG2-CG2 4.3Å; S443-V472 WeakPolarHBondContact O-CG2 3.39Å; S443-V472 PolarHBondContact O-N 3.42Å; D444-V472 VanDerWaalsContact CA-O 3.28Å; D444-V472 WeakPolarHBondContact CA-O 3.5Å; D444-V472 HydrophobicContact CB-CG2 4.24Å; V470-V472 HydrophobicContact CG1-CG1 4.3Å; V472-F507 HydrophobicContact CG1-CB 4.19Å; V472-F507 HydrophobicContact CG1-CD1 4.27Å
473	G	89.1	Confident	91.6	Very high	11 Å²	11	33.4 Å²	33.4	11%	0.113	18%	0.179	C	C	.	.	S	Bend	trans	76.8	-167.3	179.7	0	0	0	0	0	115.1
474	P	86.8	Confident	91.2	Very high	107 Å²	107	33.2 Å²	33.2	70%	0.695	18%	0.179	S	C	*	.	S	Bend	trans	-95.8	3.4	-165.7	37	-36.4	0	0	0	115.1	R508	P474-R508 PolarHBondContact O-NH1 2.66Å
475	A	86.1	Confident	90.5	Very high	27 Å²	27	33.3 Å²	33.3	22%	0.223	18%	0.18	C	C	.	.			trans	-62.8	164.7	-176.2	0	0	0	0	0	113.3	D444 F477 R508	D444-A475 WeakPolarHBondContact O-CB 3.37Å; A475-F477 HydrophobicContact CB-CE1 4.46Å; A475-R508 PolarHBondContact O-NH1 2.92Å; A475-R508 PolarHBondContact O-NH2 3.26Å
476	E	86.2	Confident	89.8	Confident	137 Å²	137	38 Å²	38	64%	0.64	21%	0.205	S	C	*	.			trans	-83.6	136.4	168.6	-61.2	-57.6	158.6	0	0	109.3	R508	E476-R508 IonicContact OE2-NH2 3.4Å
477	F	88.9	Confident	89	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.022	25%	0.247	C	C	.	.			trans	-112.4	24.1	-170.3	-62.5	-67.2	0	0	0	113.3	A475 E479 M480 I481 F504 P506 R508	A475-F477 HydrophobicContact CB-CE1 4.46Å; F477-E479 PolarHBondContact O-N 3.45Å; F477-M480 HydrophobicContact CB-CB 4.39Å; F477-M480 HydrophobicContact CD1-CE 4.27Å; F477-M480 HydrophobicContact CD1-CG 4.45Å; F477-M480 HydrophobicContact CD1-SD 3.53Å; F477-M480 VanDerWaalsContact CD1-SD 3.53Å; F477-M480 HydrophobicContact CE1-SD 4.09Å; F477-M480 HydrophobicContact CG-SD 4.45Å; F477-M480 PolarHBondContact O-N 2.75Å; F477-I481 WeakPolarHBondContact O-CG1 3.08Å; F477-I481 PolarHBondContact O-N 2.88Å; F477-F504 HydrophobicContact CB-CE1 3.69Å; F477-F504 HydrophobicContact CB-CE2 4.38Å; F477-F504 HydrophobicContact CB-CZ 3.38Å; F477-F504 HydrophobicContact CD1-CE2 4.31Å; F477-F504 AromaticContact CD1-CZ 3.91Å; F477-F504 HydrophobicContact CD1-CZ 3.91Å; F477-F504 AromaticContact CD2-CZ 3.97Å; F477-F504 HydrophobicContact CD2-CZ 3.97Å; F477-F504 HydrophobicContact CG-CE1 4.28Å; F477-F504 HydrophobicContact CG-CE2 4.35Å; F477-F504 AromaticContact CG-CZ 3.51Å; F477-F504 HydrophobicContact CG-CZ 3.51Å; F477-P506 HydrophobicContact CD2-CB 3.86Å; F477-P506 HydrophobicContact CE2-CB 4.02Å; F477-R508 VanDerWaalsContact CD2-NH2 3.3Å
478	D	89	Confident	88.4	Confident	117 Å²	117	54.5 Å²	54.5	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-53.9	-40.5	-177.6	-62	-32.9	0	0	0	112.4	M480 I481 E482	D478-M480 VanDerWaalsContact C-N 3.34Å; D478-M480 PolarHBondContact O-N 3.43Å; D478-I481 PolarHBondContact O-N 3.28Å; D478-E482 PolarHBondContact O-N 3.2Å
479	E	87.2	Confident	88.2	Confident	74 Å²	74	59.7 Å²	59.7	35%	0.346	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-37.9	176.1	-65.5	-179.3	162.1	0	0	111.8	I447 M450 F477 E482 L483	I447-E479 WeakPolarHBondContact CB-OE2 3.39Å; I447-E479 PolarHBondContact N-OE2 2.82Å; M450-E479 HydrophobicContact CE-CB 4.24Å; M450-E479 VanDerWaalsContact CE-O 3.25Å; M450-E479 WeakPolarHBondContact CE-O 3.46Å; F477-E479 PolarHBondContact O-N 3.45Å; E479-E482 WeakPolarHBondContact O-CB 3.19Å; E479-E482 PolarHBondContact O-N 3.37Å; E479-L483 PolarHBondContact O-N 2.76Å
480	M	88.5	Confident	88.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-74.7	-33.1	-179.9	-59.2	-177.4	178.2	0	0	112.1	F412 I447 I469 F477 D478 E482 L483 D484 F504	F412-M480 HydrophobicContact CE2-CE 4.29Å; F412-M480 HydrophobicContact CZ-CE 3.94Å; I447-M480 HydrophobicContact CD1-CE 4.46Å; I447-M480 HydrophobicContact CD1-CG 4.07Å; I447-M480 HydrophobicContact CG1-CE 4.21Å; I469-M480 HydrophobicContact CG2-CG 4.45Å; I469-M480 HydrophobicContact CG2-SD 3.91Å; F477-M480 HydrophobicContact CB-CB 4.39Å; F477-M480 HydrophobicContact CD1-CE 4.27Å; F477-M480 HydrophobicContact CD1-CG 4.45Å; F477-M480 HydrophobicContact CD1-SD 3.53Å; F477-M480 VanDerWaalsContact CD1-SD 3.53Å; F477-M480 HydrophobicContact CE1-SD 4.09Å; F477-M480 HydrophobicContact CG-SD 4.45Å; F477-M480 PolarHBondContact O-N 2.75Å; D478-M480 VanDerWaalsContact C-N 3.34Å; D478-M480 PolarHBondContact O-N 3.43Å; M480-E482 VanDerWaalsContact C-N 3.31Å; M480-L483 WeakPolarHBondContact O-CB 3.47Å; M480-L483 PolarHBondContact O-N 2.96Å; M480-L483 VanDerWaalsContact O-N 3.11Å; M480-D484 PolarHBondContact O-N 2.9Å; M480-F504 HydrophobicContact CB-CB 4.45Å; M480-F504 HydrophobicContact CB-CD1 3.89Å; M480-F504 HydrophobicContact CB-CD2 3.37Å; M480-F504 HydrophobicContact CB-CE1 3.96Å; M480-F504 HydrophobicContact CB-CE2 3.46Å; M480-F504 VanDerWaalsContact CB-CE2 3.46Å; M480-F504 HydrophobicContact CB-CG 3.6Å; M480-F504 HydrophobicContact CB-CZ 3.78Å; M480-F504 HydrophobicContact CG-CD2 4.17Å; M480-F504 HydrophobicContact CG-CE2 3.99Å; M480-F504 HydrophobicContact CG-CZ 4.49Å; M480-F504 HydrophobicContact SD-CD2 3.91Å; M480-F504 HydrophobicContact SD-CE2 3.33Å; M480-F504 WeakPolarHBondContact SD-CE2 3.47Å; M480-F504 HydrophobicContact SD-CZ 4.03Å
481	I	88.6	Confident	88	Confident	92 Å²	92	62.5 Å²	62.5	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-39.6	171.4	-63.7	166.8	0	0	0	110.1	F477 D478 L483 D484 F504	F477-I481 WeakPolarHBondContact O-CG1 3.08Å; F477-I481 PolarHBondContact O-N 2.88Å; D478-I481 PolarHBondContact O-N 3.28Å; I481-L483 PolarHBondContact O-N 2.65Å; I481-D484 WeakPolarHBondContact O-CB 3.14Å; I481-D484 PolarHBondContact O-N 3.36Å; I481-D484 VanDerWaalsContact O-N 3.12Å; I481-F504 HydrophobicContact CG1-CD1 3.86Å; I481-F504 HydrophobicContact CG1-CE1 3.84Å
482	E	89.6	Confident	87.9	Confident	105 Å²	105	63.2 Å²	63.2	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-30.3	173.5	-169.9	-176.6	-169.7	0	0	112.4	M450 K454 D478 E479 M480	M450-E482 HydrophobicContact CE-CB 4.04Å; M450-E482 HydrophobicContact CE-CG 4.26Å; M450-E482 WeakPolarHBondContact CE-OE2 3.45Å; K454-E482 WeakPolarHBondContact CE-OE2 3.45Å; K454-E482 IonicContact NZ-OE1 3.86Å; K454-E482 PolarHBondContact NZ-OE1 2.95Å; K454-E482 IonicContact NZ-OE2 2.7Å; K454-E482 PolarHBondContact NZ-OE2 2.78Å; D478-E482 PolarHBondContact O-N 3.2Å; E479-E482 WeakPolarHBondContact O-CB 3.19Å; E479-E482 PolarHBondContact O-N 3.37Å; M480-E482 VanDerWaalsContact C-N 3.31Å
483	L	90.3	Very high	87.9	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-77.9	-15.8	176	-65.4	-176.3	0	0	0	113.9	I447 M450 T453 K454 I457 I469 E479 M480 I481 G485 I490 V502	I447-L483 HydrophobicContact CD1-CD1 3.52Å; M450-L483 HydrophobicContact CE-CD2 3.5Å; M450-L483 VanDerWaalsContact CE-CD2 3.5Å; M450-L483 HydrophobicContact CE-CG 3.71Å; M450-L483 HydrophobicContact SD-CD1 4.29Å; M450-L483 HydrophobicContact SD-CD2 3.79Å; M450-L483 HydrophobicContact SD-CG 4.08Å; T453-L483 HydrophobicContact CG2-CD1 3.77Å; T453-L483 HydrophobicContact CG2-CD2 4.35Å; K454-L483 HydrophobicContact CG-CD2 3.97Å; I457-L483 HydrophobicContact CD1-CD1 4.23Å; I457-L483 HydrophobicContact CD1-CD2 3.74Å; I457-L483 HydrophobicContact CD1-CG 4.4Å; I469-L483 HydrophobicContact CD1-CD1 3.97Å; E479-L483 PolarHBondContact O-N 2.76Å; M480-L483 WeakPolarHBondContact O-CB 3.47Å; M480-L483 PolarHBondContact O-N 2.96Å; M480-L483 VanDerWaalsContact O-N 3.11Å; I481-L483 PolarHBondContact O-N 2.65Å; L483-G485 VanDerWaalsContact C-N 3.26Å; L483-G485 PolarHBondContact O-N 2.84Å; L483-I490 WeakPolarHBondContact O-CD1 3.39Å; L483-V502 HydrophobicContact CB-CG1 4.27Å; L483-V502 WeakPolarHBondContact O-CB 3.22Å; L483-V502 VanDerWaalsContact O-CG1 3.24Å; L483-V502 WeakPolarHBondContact O-CG1 3.2Å
484	D	87.3	Confident	87.9	Confident	18 Å²	18	73 Å²	73	10%	0.096	39%	0.389	C	S	.	.	H	α-helix	trans	-66.9	-28.3	-175.1	-150.1	12.4	0	0	0	112.5	M480 I481 D486 Q503 F504	M480-D484 PolarHBondContact O-N 2.9Å; I481-D484 WeakPolarHBondContact O-CB 3.14Å; I481-D484 PolarHBondContact O-N 3.36Å; I481-D484 VanDerWaalsContact O-N 3.12Å; D484-D486 PolarHBondContact O-N 2.88Å; D484-Q503 WeakPolarHBondContact OD1-CA 3.45Å; D484-F504 HydrophobicContact CB-CB 4.17Å; D484-F504 PolarHBondContact OD1-N 2.73Å
485	G	80.3	Confident	88.2	Confident	6 Å²	6	73.5 Å²	73.5	6%	0.062	38%	0.376	C	S	.	.			trans	79.6	-6.2	173.5	0	0	0	0	0	115.9	L483 E488	L483-G485 VanDerWaalsContact C-N 3.26Å; L483-G485 PolarHBondContact O-N 2.84Å; G485-E488 WeakPolarHBondContact CA-O 3.44Å; G485-E488 CarbonylContact O-C 3.41Å
486	D	80.3	Confident	88.6	Confident	99 Å²	99	80 Å²	80	53%	0.529	40%	0.397	S	S	.	.	S	Bend	trans	-60.4	-48.2	179.8	-85.8	-8.4	0	0	0	114.3	D484	D484-D486 PolarHBondContact O-N 2.88Å
487	E	79.8	Confident	89	Confident	187 Å²	187	74 Å²	74	87%	0.874	37%	0.37	S	S	*	.	S	Bend	trans	-81	-47.6	179.7	-64.5	-166.8	168.2	0	0	111.5
488	E	85.1	Confident	89.2	Confident	160 Å²	160	78 Å²	78	75%	0.748	39%	0.389	S	S	*	.	S	Bend	trans	-134.6	126.8	-177.7	-66.2	-166	167.3	0	0	111.2	G485 I490	G485-E488 WeakPolarHBondContact CA-O 3.44Å; G485-E488 CarbonylContact O-C 3.41Å; E488-I490 PolarHBondContact O-N 3.34Å; E488-I490 VanDerWaalsContact O-N 3.14Å
489	R	91.1	Very high	89.4	Confident	108 Å²	108	72.9 Å²	72.9	41%	0.408	36%	0.361	S	S	.	.			trans	-57.6	121.1	175.8	-175.6	68.1	63.6	-141.8	-4.6	109.9	S491 Y496 D500	R489-S491 PolarHBondContact O-N 3.41Å; R489-Y496 HydrophobicContact CB-CD1 4.17Å; R489-Y496 HydrophobicContact CG-CD1 4.17Å; R489-D500 IonicContact CZ-OD2 2.97Å; R489-D500 VanDerWaalsContact NH1-CA 3.3Å; R489-D500 VanDerWaalsContact NH1-N 3.16Å; R489-D500 IonicContact NH1-OD1 3.87Å; R489-D500 IonicContact NH1-OD2 3.94Å; R489-D500 PolarHBondContact NH1-OD2 2.85Å
490	I	92.9	Very high	89.6	Confident	9 Å²	9	70.6 Å²	70.6	5%	0.046	35%	0.351	C	S	.	.			trans	-52.4	134	179.5	-56.8	166	0	0	0	110.5	K454 I457 V458 L483 E488 A497 V502	K454-I490 HydrophobicContact CB-CG2 4.28Å; K454-I490 HydrophobicContact CG-CG2 4.19Å; I457-I490 HydrophobicContact CD1-CD1 4.47Å; I457-I490 HydrophobicContact CG2-CD1 3.62Å; I457-I490 HydrophobicContact CG2-CG2 4.42Å; V458-I490 HydrophobicContact CG2-CG2 4.1Å; L483-I490 WeakPolarHBondContact O-CD1 3.39Å; E488-I490 PolarHBondContact O-N 3.34Å; E488-I490 VanDerWaalsContact O-N 3.14Å; I490-A497 HydrophobicContact CB-CB 4.49Å; I490-A497 PolarHBondContact O-N 2.76Å; I490-V502 HydrophobicContact CD1-CG2 4.04Å
491	S	92.7	Very high	89.9	Confident	50 Å²	50	70.6 Å²	70.6	35%	0.35	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.9	176.8	69.1	0	0	0	0	112	R489 R495	R489-S491 PolarHBondContact O-N 3.41Å; S491-R495 CarbonylContact C-O 3.58Å; S491-R495 WeakPolarHBondContact CA-O 3.44Å; S491-R495 WeakPolarHBondContact CB-O 3.28Å
492	S	94.1	Very high	90.3	Very high	16 Å²	16	66.2 Å²	66.2	11%	0.112	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	133.6	174.5	-175.5	0	0	0	0	109.5	G494 R495	S492-G494 PolarHBondContact O-N 3.04Å; S492-G494 VanDerWaalsContact O-N 3.13Å; S492-R495 PolarHBondContact N-O 3.2Å; S492-R495 PolarHBondContact O-N 2.78Å
493	Q	91.4	Very high	90.5	Very high	143 Å²	143	61.8 Å²	61.8	67%	0.668	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.1	179.5	-55.5	174.3	20.1	0	0	113.6	E455 R495	E455-Q493 VanDerWaalsContact CD-NE2 3.29Å; E455-Q493 PolarHBondContact OE1-NE2 3.4Å; E455-Q493 PolarHBondContact OE2-NE2 2.93Å; Q493-R495 VanDerWaalsContact C-N 3.3Å; Q493-R495 PolarHBondContact O-N 3.45Å
494	G	89.1	Confident	90.6	Very high	73 Å²	73	62.2 Å²	62.2	75%	0.753	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	5.7	-180	0	0	0	0	0	115.5	S492	S492-G494 PolarHBondContact O-N 3.04Å; S492-G494 VanDerWaalsContact O-N 3.13Å
495	R	93.5	Very high	90.8	Very high	117 Å²	117	61.4 Å²	61.4	44%	0.442	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.7	171.6	-62.5	-174.3	-66.3	135.3	-0.6	110	V458 N459 S491 S492 Q493	V458-R495 HydrophobicContact CG1-CB 4.21Å; N459-R495 PolarHBondContact OD1-NH1 3.05Å; N459-R495 PolarHBondContact OD1-NH2 2.77Å; S491-R495 CarbonylContact C-O 3.58Å; S491-R495 WeakPolarHBondContact CA-O 3.44Å; S491-R495 WeakPolarHBondContact CB-O 3.28Å; S492-R495 PolarHBondContact N-O 3.2Å; S492-R495 PolarHBondContact O-N 2.78Å; Q493-R495 VanDerWaalsContact C-N 3.3Å; Q493-R495 PolarHBondContact O-N 3.45Å
496	Y	94.3	Very high	91.3	Very high	165 Å²	165	62.2 Å²	62.2	65%	0.647	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	147.9	172.4	-69.8	-88.5	0	0	0	110.7	R489	R489-Y496 HydrophobicContact CB-CD1 4.17Å; R489-Y496 HydrophobicContact CG-CD1 4.17Å
497	A	94.3	Very high	91.8	Very high	9 Å²	9	57.6 Å²	57.6	7%	0.074	28%	0.284	C	S	.	.			trans	-59.2	137.4	168.6	0	0	0	0	0	110.5	V458 A461 I490 R499	V458-A497 HydrophobicContact CG2-CB 4.31Å; A461-A497 HydrophobicContact CB-CB 3.78Å; I490-A497 HydrophobicContact CB-CB 4.49Å; I490-A497 PolarHBondContact O-N 2.76Å; A497-R499 PolarHBondContact O-N 2.84Å
498	E	93.3	Very high	92.1	Very high	90 Å²	90	52.9 Å²	52.9	42%	0.421	26%	0.259	S	S	.	.	S	Bend	trans	-63	-32.7	-178.5	-172.3	178.5	169.4	0	0	112	A461 S462 R543	A461-E498 HydrophobicContact CB-CB 4.48Å; S462-E498 WeakPolarHBondContact CA-OE2 3.31Å; S462-E498 VanDerWaalsContact CB-OE2 3.28Å; S462-E498 WeakPolarHBondContact CB-OE2 3.41Å; E498-R543 IonicContact OE1-CZ 2.7Å; E498-R543 IonicContact OE1-NH1 2.87Å; E498-R543 PolarHBondContact OE1-NH1 2.78Å; E498-R543 VanDerWaalsContact OE1-NH1 3.12Å; E498-R543 IonicContact OE1-NH2 3.94Å; E498-R543 PolarHBondContact OE1-NH2 3.23Å; E498-R543 IonicContact OE2-CZ 3.72Å; E498-R543 IonicContact OE2-NH1 3.82Å; E498-R543 IonicContact OE2-NH2 3.99Å; E498-R543 PolarHBondContact OE2-NH2 3.24Å
499	R	93.4	Very high	92.1	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.038	25%	0.251	C	S	.	.	S	Bend	trans	-148.3	166.3	-177.8	-62.1	-179.7	-60.6	99.9	5.7	109.6	A461 L463 A497 Q535 S538	A461-R499 PolarHBondContact O-NE 2.91Å; A461-R499 PolarHBondContact O-NH2 2.82Å; L463-R499 PolarHBondContact O-NH2 3.02Å; A497-R499 PolarHBondContact O-N 2.84Å; R499-Q535 PolarHBondContact NH1-O 2.79Å; R499-S538 WeakPolarHBondContact CD-OG 3.4Å
500	D	92.9	Very high	91.6	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.134	24%	0.24	C	C	.	.			trans	-73.1	137.3	161.2	-133	-36.5	0	0	0	111.4	R489 V502	R489-D500 IonicContact CZ-OD2 2.97Å; R489-D500 VanDerWaalsContact NH1-CA 3.3Å; R489-D500 VanDerWaalsContact NH1-N 3.16Å; R489-D500 IonicContact NH1-OD1 3.87Å; R489-D500 IonicContact NH1-OD2 3.94Å; R489-D500 PolarHBondContact NH1-OD2 2.85Å; D500-V502 PolarHBondContact OD1-N 2.79Å
501	I	94.7	Very high	90.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.253	C	S	.	.			trans	-143.5	-0.8	178.5	65	157	0	0	0	112.7	I457 A460 A461 M465 S466 I467	I457-I501 HydrophobicContact CG2-CD1 4.13Å; I457-I501 HydrophobicContact CG2-CG1 4.04Å; A460-I501 HydrophobicContact CB-CD1 3.86Å; A461-I501 HydrophobicContact CB-CD1 4.44Å; M465-I501 WeakPolarHBondContact O-CG2 3.34Å; S466-I501 CarbonylContact C-O 3.59Å; S466-I501 WeakPolarHBondContact CA-O 3.43Å; I467-I501 HydrophobicContact CD1-CD1 3.96Å; I467-I501 HydrophobicContact CG1-CD1 4.39Å; I467-I501 PolarHBondContact N-O 2.78Å
502	V	95.2	Very high	89.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.5	-180	-177.6	0	0	0	0	107.9	I457 I467 I469 L483 I490 D500 Q535	I457-V502 HydrophobicContact CD1-CG2 3.96Å; I457-V502 HydrophobicContact CG1-CG2 4.19Å; I457-V502 HydrophobicContact CG2-CG2 3.82Å; I467-V502 HydrophobicContact CB-CG2 4.36Å; I467-V502 CarbonylContact O-C 3.59Å; I467-V502 VanDerWaalsContact O-CA 3.24Å; I467-V502 WeakPolarHBondContact O-CA 3.36Å; I469-V502 HydrophobicContact CD1-CG1 3.82Å; I469-V502 HydrophobicContact CG1-CG1 4.22Å; L483-V502 HydrophobicContact CB-CG1 4.27Å; L483-V502 WeakPolarHBondContact O-CB 3.22Å; L483-V502 VanDerWaalsContact O-CG1 3.24Å; L483-V502 WeakPolarHBondContact O-CG1 3.2Å; I490-V502 HydrophobicContact CD1-CG2 4.04Å; D500-V502 PolarHBondContact OD1-N 2.79Å; V502-Q535 PolarHBondContact O-NE2 2.85Å
503	Q	93.8	Very high	88.1	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.051	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.6	162.8	178	69.3	56.4	0	0	107.6	I467 I468 I469 D484 V505 E531	I467-Q503 PolarHBondContact O-N 2.83Å; I468-Q503 CarbonylContact C-O 3.6Å; I468-Q503 WeakPolarHBondContact CA-O 3.32Å; I469-Q503 PolarHBondContact N-O 2.81Å; D484-Q503 WeakPolarHBondContact OD1-CA 3.45Å; Q503-V505 HydrophobicContact CG-CG2 4.08Å; Q503-E531 PolarHBondContact OE1-OE1 2.94Å; Q503-E531 PolarHBondContact OE1-OE2 3.17Å
504	F	92.7	Very high	86.6	Confident	9 Å²	9	64.8 Å²	64.8	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.7	171.5	173.6	-112.5	0	0	0	111.4	I469 F477 M480 I481 D484 P506	I469-F504 HydrophobicContact CB-CD2 4.08Å; I469-F504 HydrophobicContact CG2-CD2 3.92Å; I469-F504 HydrophobicContact CG2-CE2 4.45Å; I469-F504 WeakPolarHBondContact O-CA 3.3Å; I469-F504 WeakPolarHBondContact O-CD2 3.44Å; F477-F504 HydrophobicContact CB-CE1 3.69Å; F477-F504 HydrophobicContact CB-CE2 4.38Å; F477-F504 HydrophobicContact CB-CZ 3.38Å; F477-F504 HydrophobicContact CD1-CE2 4.31Å; F477-F504 AromaticContact CD1-CZ 3.91Å; F477-F504 HydrophobicContact CD1-CZ 3.91Å; F477-F504 AromaticContact CD2-CZ 3.97Å; F477-F504 HydrophobicContact CD2-CZ 3.97Å; F477-F504 HydrophobicContact CG-CE1 4.28Å; F477-F504 HydrophobicContact CG-CE2 4.35Å; F477-F504 AromaticContact CG-CZ 3.51Å; F477-F504 HydrophobicContact CG-CZ 3.51Å; M480-F504 HydrophobicContact CB-CB 4.45Å; M480-F504 HydrophobicContact CB-CD1 3.89Å; M480-F504 HydrophobicContact CB-CD2 3.37Å; M480-F504 HydrophobicContact CB-CE1 3.96Å; M480-F504 HydrophobicContact CB-CE2 3.46Å; M480-F504 VanDerWaalsContact CB-CE2 3.46Å; M480-F504 HydrophobicContact CB-CG 3.6Å; M480-F504 HydrophobicContact CB-CZ 3.78Å; M480-F504 HydrophobicContact CG-CD2 4.17Å; M480-F504 HydrophobicContact CG-CE2 3.99Å; M480-F504 HydrophobicContact CG-CZ 4.49Å; M480-F504 HydrophobicContact SD-CD2 3.91Å; M480-F504 HydrophobicContact SD-CE2 3.33Å; M480-F504 WeakPolarHBondContact SD-CE2 3.47Å; M480-F504 HydrophobicContact SD-CZ 4.03Å; I481-F504 HydrophobicContact CG1-CD1 3.86Å; I481-F504 HydrophobicContact CG1-CE1 3.84Å; D484-F504 HydrophobicContact CB-CB 4.17Å; D484-F504 PolarHBondContact OD1-N 2.73Å; F504-P506 HydrophobicContact CE1-CB 4.3Å; F504-P506 HydrophobicContact CE1-CG 4.29Å; F504-P506 HydrophobicContact CZ-CB 3.99Å; F504-P506 HydrophobicContact CZ-CG 4.45Å
505	V	91.4	Very high	85.4	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122	172.5	-175.5	0	0	0	0	111.1	I469 V470 G471 Q503 F507 Y510 L524 E527 V528	I469-V505 PolarHBondContact O-N 3.32Å; V470-V505 WeakPolarHBondContact CA-O 3.12Å; G471-V505 PolarHBondContact N-O 2.75Å; Q503-V505 HydrophobicContact CG-CG2 4.08Å; V505-F507 PolarHBondContact O-N 3.32Å; V505-Y510 HydrophobicContact CG1-CD2 3.9Å; V505-Y510 HydrophobicContact CG1-CE2 3.25Å; V505-L524 HydrophobicContact CB-CD1 4.37Å; V505-L524 HydrophobicContact CG1-CD1 3.81Å; V505-E527 HydrophobicContact CG1-CB 4.36Å; V505-E527 HydrophobicContact CG1-CG 4.47Å; V505-E527 HydrophobicContact CG2-CB 4.27Å; V505-E527 HydrophobicContact CG2-CG 4.08Å; V505-V528 HydrophobicContact CB-CG2 3.62Å; V505-V528 HydrophobicContact CG1-CG2 4.08Å; V505-V528 HydrophobicContact CG2-CB 4.3Å; V505-V528 HydrophobicContact CG2-CG2 3.47Å; V505-V528 VanDerWaalsContact CG2-CG2 3.47Å
506	P	91.9	Very high	84.4	Confident	23 Å²	23	60.2 Å²	60.2	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	114.5	171.3	30.7	-33.6	0	0	0	110.5	F477 F504 R508 D509 Y510	F477-P506 HydrophobicContact CD2-CB 3.86Å; F477-P506 HydrophobicContact CE2-CB 4.02Å; F504-P506 HydrophobicContact CE1-CB 4.3Å; F504-P506 HydrophobicContact CE1-CG 4.29Å; F504-P506 HydrophobicContact CZ-CB 3.99Å; F504-P506 HydrophobicContact CZ-CG 4.45Å; P506-R508 HydrophobicContact CB-CG 4.34Å; P506-R508 PolarHBondContact O-N 2.79Å; P506-R508 VanDerWaalsContact O-N 3.15Å; P506-D509 WeakPolarHBondContact CG-OD2 3.48Å; P506-D509 PolarHBondContact O-N 2.61Å; P506-Y510 WeakPolarHBondContact O-CD2 3.46Å
507	F	89.8	Confident	83.5	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.2	-174.9	-176.6	-136.1	0	0	0	113.3	D336 M339 V470 G471 V472 V505 D509 Y510 I511 L524	D336-F507 HydrophobicContact CB-CD1 3.82Å; D336-F507 HydrophobicContact CB-CE1 3.92Å; M339-F507 HydrophobicContact CB-CE1 4.06Å; M339-F507 HydrophobicContact CB-CZ 3.71Å; M339-F507 HydrophobicContact CE-CE1 3.8Å; M339-F507 HydrophobicContact CE-CZ 4.09Å; M339-F507 HydrophobicContact SD-CE1 4.46Å; M339-F507 HydrophobicContact SD-CZ 4.15Å; V470-F507 HydrophobicContact CG1-CB 3.96Å; G471-F507 WeakPolarHBondContact O-CB 3.15Å; G471-F507 PolarHBondContact O-N 3.02Å; V472-F507 HydrophobicContact CG1-CB 4.19Å; V472-F507 HydrophobicContact CG1-CD1 4.27Å; V505-F507 PolarHBondContact O-N 3.32Å; F507-D509 PolarHBondContact O-N 3.42Å; F507-D509 VanDerWaalsContact O-N 3.09Å; F507-Y510 PolarHBondContact O-N 3.06Å; F507-I511 HydrophobicContact CD1-CD1 3.82Å; F507-I511 HydrophobicContact CD1-CG1 4.14Å; F507-I511 HydrophobicContact CD2-CG1 4.47Å; F507-I511 HydrophobicContact CE1-CD1 3.76Å; F507-I511 HydrophobicContact CE1-CG1 3.91Å; F507-I511 HydrophobicContact CE2-CG1 4.3Å; F507-I511 HydrophobicContact CG-CD1 4.45Å; F507-I511 HydrophobicContact CG-CG1 4.43Å; F507-I511 HydrophobicContact CZ-CD1 4.38Å; F507-I511 HydrophobicContact CZ-CG1 4.02Å; F507-I511 PolarHBondContact O-N 2.93Å; F507-L524 HydrophobicContact CD2-CB 4.08Å; F507-L524 HydrophobicContact CD2-CD1 3.9Å; F507-L524 HydrophobicContact CD2-CD2 3.53Å; F507-L524 HydrophobicContact CD2-CG 4Å; F507-L524 HydrophobicContact CE2-CB 4.08Å; F507-L524 HydrophobicContact CE2-CD2 3.64Å; F507-L524 HydrophobicContact CE2-CG 4.3Å; F507-L524 HydrophobicContact CG-CD2 4.45Å
508	R	86.4	Confident	82.6	Confident	88 Å²	88	57.7 Å²	57.7	33%	0.332	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56.4	-26.3	-178.6	62.3	176.3	168.9	-157.9	-5.6	114.4	P474 A475 E476 F477 P506 Y510	P474-R508 PolarHBondContact O-NH1 2.66Å; A475-R508 PolarHBondContact O-NH1 2.92Å; A475-R508 PolarHBondContact O-NH2 3.26Å; E476-R508 IonicContact OE2-NH2 3.4Å; F477-R508 VanDerWaalsContact CD2-NH2 3.3Å; P506-R508 HydrophobicContact CB-CG 4.34Å; P506-R508 PolarHBondContact O-N 2.79Å; P506-R508 VanDerWaalsContact O-N 3.15Å; R508-Y510 PolarHBondContact O-N 3.1Å
509	D	84.8	Confident	82	Confident	109 Å²	109	55.1 Å²	55.1	58%	0.583	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-75.6	-15.6	-177.5	-66.9	-11.7	0	0	0	112.2	P506 F507	P506-D509 WeakPolarHBondContact CG-OD2 3.48Å; P506-D509 PolarHBondContact O-N 2.61Å; F507-D509 PolarHBondContact O-N 3.42Å; F507-D509 VanDerWaalsContact O-N 3.09Å
510	Y	81.5	Confident	81.3	Confident	47 Å²	47	54.7 Å²	54.7	18%	0.184	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-6.5	-175.7	-55.2	-81.3	0	0	0	113.3	V505 P506 F507 R508 D512 S520 R523 L524 E527	V505-Y510 HydrophobicContact CG1-CD2 3.9Å; V505-Y510 HydrophobicContact CG1-CE2 3.25Å; P506-Y510 WeakPolarHBondContact O-CD2 3.46Å; F507-Y510 PolarHBondContact O-N 3.06Å; R508-Y510 PolarHBondContact O-N 3.1Å; Y510-D512 PolarHBondContact O-N 2.87Å; Y510-S520 WeakPolarHBondContact O-CA 3.47Å; Y510-S520 WeakPolarHBondContact O-CB 3.48Å; Y510-S520 PolarHBondContact O-OG 2.63Å; Y510-R523 HydrophobicContact CD1-CB 3.81Å; Y510-R523 HydrophobicContact CG-CB 4.42Å; Y510-L524 HydrophobicContact CD2-CD1 4.5Å; Y510-E527 HydrophobicContact CE1-CB 4.25Å; Y510-E527 WeakPolarHBondContact OH-CG 3.45Å
511	I	75.9	Confident	80.9	Confident	61 Å²	61	54.8 Å²	54.8	31%	0.313	25%	0.254	S	S	.	.			trans	-71.3	114.9	175.5	-60.9	175.9	0	0	0	109.6	F507 R513	F507-I511 HydrophobicContact CD1-CD1 3.82Å; F507-I511 HydrophobicContact CD1-CG1 4.14Å; F507-I511 HydrophobicContact CD2-CG1 4.47Å; F507-I511 HydrophobicContact CE1-CD1 3.76Å; F507-I511 HydrophobicContact CE1-CG1 3.91Å; F507-I511 HydrophobicContact CE2-CG1 4.3Å; F507-I511 HydrophobicContact CG-CD1 4.45Å; F507-I511 HydrophobicContact CG-CG1 4.43Å; F507-I511 HydrophobicContact CZ-CD1 4.38Å; F507-I511 HydrophobicContact CZ-CG1 4.02Å; F507-I511 PolarHBondContact O-N 2.93Å; I511-R513 PolarHBondContact O-N 3.44Å
512	D	68.9	Low	80.4	Confident	33 Å²	33	56.3 Å²	56.3	18%	0.176	27%	0.267	C	S	.	.			trans	-68.6	118.1	174.4	-175.3	6.6	0	0	0	110.5	Y510 R514 G515 S520	Y510-D512 PolarHBondContact O-N 2.87Å; D512-R514 PolarHBondContact O-N 2.81Å; D512-R514 WeakPolarHBondContact OD1-CB 3.42Å; D512-R514 PolarHBondContact OD1-N 2.97Å; D512-G515 PolarHBondContact O-N 2.64Å; D512-S520 PolarHBondContact N-OG 3.43Å
513	R	60	Low	79.9	Confident	255 Å²	255	62.1 Å²	62.1	96%	0.962	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.5	175.2	-62.3	-176	-178.5	-177.2	0.7	113.2	I511	I511-R513 PolarHBondContact O-N 3.44Å
514	R	61.4	Low	79.6	Confident	232 Å²	232	61.6 Å²	61.6	88%	0.875	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.3	175.1	-56	-178.3	-177.7	-169.1	2.1	113.8	D512	D512-R514 PolarHBondContact O-N 2.81Å; D512-R514 WeakPolarHBondContact OD1-CB 3.42Å; D512-R514 PolarHBondContact OD1-N 2.97Å
515	G	62.9	Low	79.4	Confident	45 Å²	45	61.2 Å²	61.2	46%	0.464	29%	0.285	S	S	.	.			trans	84.7	14	174.2	0	0	0	0	0	115.4	D512 H517	D512-G515 PolarHBondContact O-N 2.64Å; G515-H517 PolarHBondContact O-CD2 3.36Å; G515-H517 PolarHBondContact O-N 2.69Å; G515-H517 VanDerWaalsContact O-N 3.11Å
516	N	73.1	Confident	79.1	Confident	49 Å²	49	64.1 Å²	64.1	26%	0.262	30%	0.297	S	S	.	.			trans	-83.2	82.8	172.5	-166.7	-12	0	0	0	110.8	I518 L519 S520	N516-I518 PolarHBondContact O-N 2.73Å; N516-I518 PolarHBondContact OD1-N 3.01Å; N516-L519 HydrophobicContact CB-CB 4.32Å; N516-L519 PolarHBondContact O-N 2.72Å; N516-L519 PolarHBondContact OD1-N 2.98Å; N516-S520 PolarHBondContact O-N 2.79Å; N516-S520 PolarHBondContact O-OG 3.47Å
517	H	74.2	Confident	78.9	Confident	62 Å²	62	67.4 Å²	67.4	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-57	-30.3	179.6	-61.3	-75.6	0	0	0	113.1	M339 G515 S520 M521	M339-H517 HydrophobicContact SD-CB 4.27Å; M339-H517 PolarHBondContact SD-ND1 2.94Å; M339-H517 VanDerWaalsContact SD-ND1 3.44Å; G515-H517 PolarHBondContact O-CD2 3.36Å; G515-H517 PolarHBondContact O-N 2.69Å; G515-H517 VanDerWaalsContact O-N 3.11Å; H517-S520 WeakPolarHBondContact O-CB 3.33Å; H517-S520 PolarHBondContact O-N 3.33Å; H517-M521 VanDerWaalsContact O-CG 3.31Å; H517-M521 WeakPolarHBondContact O-CG 3.29Å; H517-M521 PolarHBondContact O-N 2.97Å
518	I	76.8	Confident	78.7	Confident	58 Å²	58	67.3 Å²	67.3	30%	0.297	31%	0.31	S	S	.	.	H	α-helix	trans	-67.1	-46.3	-178.9	-60.8	159.6	0	0	0	110.7	N516 S520 M521 A522	N516-I518 PolarHBondContact O-N 2.73Å; N516-I518 PolarHBondContact OD1-N 3.01Å; I518-S520 VanDerWaalsContact C-N 3.26Å; I518-S520 PolarHBondContact O-N 3.08Å; I518-M521 PolarHBondContact O-N 2.85Å; I518-A522 PolarHBondContact O-N 3.09Å
519	L	79.6	Confident	78.9	Confident	36 Å²	36	63.1 Å²	63.1	19%	0.188	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-34.6	177.7	-171.3	64.7	0	0	0	111.2	I48 A49 N516 A522 R523	I48-L519 HydrophobicContact CG2-CD1 4.5Å; A49-L519 HydrophobicContact CB-CD1 4.43Å; N516-L519 HydrophobicContact CB-CB 4.32Å; N516-L519 PolarHBondContact O-N 2.72Å; N516-L519 PolarHBondContact OD1-N 2.98Å; L519-A522 PolarHBondContact O-N 2.89Å; L519-R523 VanDerWaalsContact O-CG 3.3Å; L519-R523 WeakPolarHBondContact O-CG 3.48Å; L519-R523 PolarHBondContact O-N 2.88Å
520	S	80.4	Confident	78.8	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-47.2	176.7	-49.7	0	0	0	0	111.4	Y510 D512 N516 H517 I518 A522 R523 L524	Y510-S520 WeakPolarHBondContact O-CA 3.47Å; Y510-S520 WeakPolarHBondContact O-CB 3.48Å; Y510-S520 PolarHBondContact O-OG 2.63Å; D512-S520 PolarHBondContact N-OG 3.43Å; N516-S520 PolarHBondContact O-N 2.79Å; N516-S520 PolarHBondContact O-OG 3.47Å; H517-S520 WeakPolarHBondContact O-CB 3.33Å; H517-S520 PolarHBondContact O-N 3.33Å; I518-S520 VanDerWaalsContact C-N 3.26Å; I518-S520 PolarHBondContact O-N 3.08Å; S520-A522 PolarHBondContact O-N 3.36Å; S520-R523 PolarHBondContact O-N 3.46Å; S520-L524 PolarHBondContact O-N 3.03Å
521	M	83.4	Confident	79.1	Confident	27 Å²	27	60.5 Å²	60.5	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-44.2	174.7	-73.3	171.4	45.3	0	0	112.3	M339 R342 A343 H517 I518 R523 L524 A525	M339-M521 HydrophobicContact CB-CG 4.45Å; R342-M521 HydrophobicContact CB-CE 4.36Å; R342-M521 HydrophobicContact CG-CE 4Å; A343-M521 HydrophobicContact CB-CB 3.76Å; A343-M521 HydrophobicContact CB-CE 4.32Å; A343-M521 HydrophobicContact CB-CG 4Å; H517-M521 VanDerWaalsContact O-CG 3.31Å; H517-M521 WeakPolarHBondContact O-CG 3.29Å; H517-M521 PolarHBondContact O-N 2.97Å; I518-M521 PolarHBondContact O-N 2.85Å; M521-R523 VanDerWaalsContact C-N 3.34Å; M521-R523 PolarHBondContact O-N 3.17Å; M521-L524 PolarHBondContact O-N 3.29Å; M521-A525 WeakPolarHBondContact O-CB 3.31Å; M521-A525 PolarHBondContact O-N 2.85Å
522	A	84	Confident	79.9	Confident	34 Å²	34	57.6 Å²	57.6	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-39.8	179.9	0	0	0	0	0	112.2	I48 I518 L519 S520 K526	I48-A522 HydrophobicContact CG2-CB 3.55Å; I518-A522 PolarHBondContact O-N 3.09Å; L519-A522 PolarHBondContact O-N 2.89Å; S520-A522 PolarHBondContact O-N 3.36Å; A522-K526 WeakPolarHBondContact O-CB 3.43Å; A522-K526 PolarHBondContact O-N 3.46Å
523	R	85.3	Confident	80.9	Confident	121 Å²	121	57 Å²	57	46%	0.457	27%	0.272	S	S	.	.	H	α-helix	trans	-70	-41.5	176.8	-69.4	172.8	177.5	173.5	-2.2	112.6	Y510 L519 S520 M521 K526 E527	Y510-R523 HydrophobicContact CD1-CB 3.81Å; Y510-R523 HydrophobicContact CG-CB 4.42Å; L519-R523 VanDerWaalsContact O-CG 3.3Å; L519-R523 WeakPolarHBondContact O-CG 3.48Å; L519-R523 PolarHBondContact O-N 2.88Å; S520-R523 PolarHBondContact O-N 3.46Å; M521-R523 VanDerWaalsContact C-N 3.34Å; M521-R523 PolarHBondContact O-N 3.17Å; R523-K526 WeakPolarHBondContact O-CB 3.25Å; R523-K526 PolarHBondContact O-N 3.44Å; R523-E527 PolarHBondContact O-N 3.28Å
524	L	86.9	Confident	82.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57	-53.5	173.5	171.5	69	0	0	0	110.2	A340 A343 I344 V470 V505 F507 Y510 S520 M521 K526 E527 V528	A340-L524 HydrophobicContact CB-CD2 3.9Å; A343-L524 HydrophobicContact CB-CD2 4.13Å; I344-L524 HydrophobicContact CD1-CD2 4.5Å; V470-L524 HydrophobicContact CG1-CD1 4.3Å; V505-L524 HydrophobicContact CB-CD1 4.37Å; V505-L524 HydrophobicContact CG1-CD1 3.81Å; F507-L524 HydrophobicContact CD2-CB 4.08Å; F507-L524 HydrophobicContact CD2-CD1 3.9Å; F507-L524 HydrophobicContact CD2-CD2 3.53Å; F507-L524 HydrophobicContact CD2-CG 4Å; F507-L524 HydrophobicContact CE2-CB 4.08Å; F507-L524 HydrophobicContact CE2-CD2 3.64Å; F507-L524 HydrophobicContact CE2-CG 4.3Å; F507-L524 HydrophobicContact CG-CD2 4.45Å; Y510-L524 HydrophobicContact CD2-CD1 4.5Å; S520-L524 PolarHBondContact O-N 3.03Å; M521-L524 PolarHBondContact O-N 3.29Å; L524-K526 PolarHBondContact O-N 3.39Å; L524-E527 PolarHBondContact O-N 3.12Å; L524-V528 HydrophobicContact CD1-CG2 3.57Å; L524-V528 HydrophobicContact CG-CG2 4.04Å; L524-V528 WeakPolarHBondContact O-CB 3.09Å; L524-V528 VanDerWaalsContact O-CG2 3.24Å; L524-V528 WeakPolarHBondContact O-CG2 3.46Å; L524-V528 PolarHBondContact O-N 2.83Å
525	A	87.6	Confident	83.8	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-38.1	-177	0	0	0	0	0	111.9	A343 I347 M521 E527 V528 L529	A343-A525 HydrophobicContact CB-CB 4.44Å; I347-A525 HydrophobicContact CD1-CB 3.62Å; M521-A525 WeakPolarHBondContact O-CB 3.31Å; M521-A525 PolarHBondContact O-N 2.85Å; A525-E527 PolarHBondContact O-N 3.4Å; A525-V528 PolarHBondContact O-N 3.13Å; A525-L529 VanDerWaalsContact O-CB 3.26Å; A525-L529 WeakPolarHBondContact O-CB 3.48Å; A525-L529 WeakPolarHBondContact O-CG 3.47Å; A525-L529 PolarHBondContact O-N 3.3Å
526	K	86.7	Confident	85.3	Confident	62 Å²	62	37.6 Å²	37.6	27%	0.27	19%	0.194	S	C	.	.	H	α-helix	trans	-56.5	-50.1	176.2	-174.4	170.2	-163.8	128.8	0	112.4	E81 E82 A522 R523 L524 A530	E81-K526 HydrophobicContact CG-CB 4.17Å; E81-K526 HydrophobicContact CG-CG 3.73Å; E82-K526 IonicContact OE1-NZ 4Å; E82-K526 PolarHBondContact OE1-NZ 2.94Å; A522-K526 WeakPolarHBondContact O-CB 3.43Å; A522-K526 PolarHBondContact O-N 3.46Å; R523-K526 WeakPolarHBondContact O-CB 3.25Å; R523-K526 PolarHBondContact O-N 3.44Å; L524-K526 PolarHBondContact O-N 3.39Å; K526-A530 WeakPolarHBondContact O-CB 3.49Å; K526-A530 PolarHBondContact O-N 2.91Å
527	E	86.6	Confident	86.1	Confident	92 Å²	92	36.3 Å²	36.3	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-69.8	-48.9	-179.6	-159.1	76.4	171.8	0	0	111.3	V505 Y510 R523 L524 A525 L529 A530	V505-E527 HydrophobicContact CG1-CB 4.36Å; V505-E527 HydrophobicContact CG1-CG 4.47Å; V505-E527 HydrophobicContact CG2-CB 4.27Å; V505-E527 HydrophobicContact CG2-CG 4.08Å; Y510-E527 HydrophobicContact CE1-CB 4.25Å; Y510-E527 WeakPolarHBondContact OH-CG 3.45Å; R523-E527 PolarHBondContact O-N 3.28Å; L524-E527 PolarHBondContact O-N 3.12Å; A525-E527 PolarHBondContact O-N 3.4Å; E527-L529 VanDerWaalsContact C-N 3.26Å; E527-L529 PolarHBondContact O-N 3.45Å; E527-A530 WeakPolarHBondContact O-CB 3.48Å; E527-A530 PolarHBondContact O-N 2.88Å
528	V	86.9	Confident	86.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-36	-174.7	164.3	0	0	0	0	113	I344 I468 V470 V505 L524 A525	I344-V528 HydrophobicContact CD1-CB 4.43Å; I344-V528 HydrophobicContact CD1-CG1 3.73Å; I344-V528 HydrophobicContact CD1-CG2 4.32Å; I344-V528 HydrophobicContact CG1-CB 4.46Å; I344-V528 HydrophobicContact CG1-CG1 3.9Å; I468-V528 HydrophobicContact CB-CG1 4.34Å; I468-V528 HydrophobicContact CD1-CG1 3.81Å; I468-V528 HydrophobicContact CG1-CG1 4.18Å; I468-V528 HydrophobicContact CG2-CG1 3.28Å; V470-V528 HydrophobicContact CG2-CG2 4.21Å; V505-V528 HydrophobicContact CB-CG2 3.62Å; V505-V528 HydrophobicContact CG1-CG2 4.08Å; V505-V528 HydrophobicContact CG2-CB 4.3Å; V505-V528 HydrophobicContact CG2-CG2 3.47Å; V505-V528 VanDerWaalsContact CG2-CG2 3.47Å; L524-V528 HydrophobicContact CD1-CG2 3.57Å; L524-V528 HydrophobicContact CG-CG2 4.04Å; L524-V528 WeakPolarHBondContact O-CB 3.09Å; L524-V528 VanDerWaalsContact O-CG2 3.24Å; L524-V528 WeakPolarHBondContact O-CG2 3.46Å; L524-V528 PolarHBondContact O-N 2.83Å; A525-V528 PolarHBondContact O-N 3.13Å
529	L	89.8	Confident	87.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-98.5	-4.7	-174.1	-63.1	177.1	0	0	0	113.3	F80 E81 I344 I347 I348 I468 A525 E527 E531 I532 P533	F80-L529 HydrophobicContact CD1-CB 4.09Å; F80-L529 WeakPolarHBondContact CD1-O 3.4Å; F80-L529 HydrophobicContact CE1-CB 3.84Å; F80-L529 HydrophobicContact CE1-CD2 4.23Å; F80-L529 HydrophobicContact CE1-CG 4.45Å; E81-L529 HydrophobicContact CB-CB 3.65Å; I344-L529 HydrophobicContact CG2-CD2 4.25Å; I347-L529 HydrophobicContact CB-CD1 3.89Å; I347-L529 HydrophobicContact CD1-CD1 3.87Å; I347-L529 HydrophobicContact CG1-CD1 4.49Å; I347-L529 HydrophobicContact CG2-CD1 3.7Å; I348-L529 HydrophobicContact CD1-CD2 3.8Å; I348-L529 HydrophobicContact CG1-CD1 4.48Å; I348-L529 HydrophobicContact CG1-CD2 3.92Å; I468-L529 HydrophobicContact CD1-CD2 3.88Å; A525-L529 VanDerWaalsContact O-CB 3.26Å; A525-L529 WeakPolarHBondContact O-CB 3.48Å; A525-L529 WeakPolarHBondContact O-CG 3.47Å; A525-L529 PolarHBondContact O-N 3.3Å; E527-L529 VanDerWaalsContact C-N 3.26Å; E527-L529 PolarHBondContact O-N 3.45Å; L529-E531 VanDerWaalsContact C-N 3.29Å; L529-E531 PolarHBondContact O-N 2.95Å; L529-I532 HydrophobicContact CD2-CG1 4.26Å; L529-I532 PolarHBondContact O-N 3.23Å; L529-P533 WeakPolarHBondContact O-CD 3.35Å
530	A	83.7	Confident	88.3	Confident	49 Å²	49	31.6 Å²	31.6	41%	0.405	17%	0.166	S	C	.	.	S	Bend	trans	-58.7	-39.5	-175	0	0	0	0	0	112.6	K526 E527	K526-A530 WeakPolarHBondContact O-CB 3.49Å; K526-A530 PolarHBondContact O-N 2.91Å; E527-A530 WeakPolarHBondContact O-CB 3.48Å; E527-A530 PolarHBondContact O-N 2.88Å
531	E	87.1	Confident	88.7	Confident	51 Å²	51	39.8 Å²	39.8	24%	0.238	20%	0.197	C	C	.	.	S	Bend	trans	-87.6	-17.6	-174.4	-65.5	-158.4	172.8	0	0	115.1	Q503 L529 D534 Q535	Q503-E531 PolarHBondContact OE1-OE1 2.94Å; Q503-E531 PolarHBondContact OE1-OE2 3.17Å; L529-E531 VanDerWaalsContact C-N 3.29Å; L529-E531 PolarHBondContact O-N 2.95Å; E531-D534 PolarHBondContact O-N 3.41Å; E531-Q535 HydrophobicContact CB-CG 4.34Å; E531-Q535 WeakPolarHBondContact O-CG 3.45Å; E531-Q535 PolarHBondContact O-N 2.79Å; E531-Q535 PolarHBondContact OE2-NE2 3.11Å
532	I	91.9	Very high	88.9	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-56.6	-44.8	-173.5	-63.9	-62.9	0	0	0	112.3	F80 I438 I468 L529 D534 Q535 F536	F80-I532 HydrophobicContact CE1-CB 3.78Å; F80-I532 HydrophobicContact CE1-CG1 4.46Å; F80-I532 HydrophobicContact CE1-CG2 3.86Å; F80-I532 HydrophobicContact CZ-CB 4.35Å; F80-I532 HydrophobicContact CZ-CG2 3.91Å; I438-I532 HydrophobicContact CD1-CD1 4.45Å; I438-I532 HydrophobicContact CD1-CG2 3.68Å; I468-I532 HydrophobicContact CD1-CD1 3.99Å; I468-I532 HydrophobicContact CD1-CG1 4.25Å; I468-I532 HydrophobicContact CG1-CD1 4.02Å; L529-I532 HydrophobicContact CD2-CG1 4.26Å; L529-I532 PolarHBondContact O-N 3.23Å; I532-D534 PolarHBondContact O-N 3.44Å; I532-D534 VanDerWaalsContact C-N 3.3Å; I532-Q535 PolarHBondContact O-N 3.26Å; I532-F536 WeakPolarHBondContact O-CB 3.33Å; I532-F536 PolarHBondContact O-N 3.27Å
533	P	91.1	Very high	89.2	Confident	21 Å²	21	45.6 Å²	45.6	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-39.5	175	-26.7	37	0	0	0	113.5	F80 F295 L529 F536 L537	F80-P533 HydrophobicContact CB-CG 4.04Å; F80-P533 HydrophobicContact CD1-CG 3.65Å; F80-P533 HydrophobicContact CE1-CG 4.3Å; F80-P533 HydrophobicContact CG-CG 3.85Å; F295-P533 HydrophobicContact CB-CB 4.09Å; F295-P533 HydrophobicContact CD2-CB 4.25Å; F295-P533 HydrophobicContact CG-CB 4.12Å; L529-P533 WeakPolarHBondContact O-CD 3.35Å; P533-F536 WeakPolarHBondContact O-CB 3.29Å; P533-L537 WeakPolarHBondContact O-CB 3.36Å; P533-L537 WeakPolarHBondContact O-CG 3.42Å; P533-L537 PolarHBondContact O-N 2.88Å
534	D	89.1	Confident	89.4	Confident	115 Å²	115	42.7 Å²	42.7	62%	0.615	23%	0.226	S	C	*	.	H	α-helix	trans	-75	-41.5	-179.1	-79.1	-25.2	0	0	0	112	E531 I532 F536 L537 S538	E531-D534 PolarHBondContact O-N 3.41Å; I532-D534 PolarHBondContact O-N 3.44Å; I532-D534 VanDerWaalsContact C-N 3.3Å; D534-F536 VanDerWaalsContact C-N 3.28Å; D534-F536 PolarHBondContact O-N 2.88Å; D534-L537 PolarHBondContact O-N 3.3Å; D534-S538 WeakPolarHBondContact O-CB 3Å; D534-S538 PolarHBondContact O-N 2.92Å
535	Q	92.8	Very high	89.6	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-40.4	172.9	-66.7	-178.4	6.1	0	0	111.1	Y436 S466 R499 V502 E531 I532 Y539	Y436-Q535 PolarHBondContact OH-O 2.8Å; S466-Q535 VanDerWaalsContact CB-OE1 3.26Å; S466-Q535 PolarHBondContact OG-OE1 3.03Å; R499-Q535 PolarHBondContact NH1-O 2.79Å; V502-Q535 PolarHBondContact O-NE2 2.85Å; E531-Q535 HydrophobicContact CB-CG 4.34Å; E531-Q535 WeakPolarHBondContact O-CG 3.45Å; E531-Q535 PolarHBondContact O-N 2.79Å; E531-Q535 PolarHBondContact OE2-NE2 3.11Å; I532-Q535 PolarHBondContact O-N 3.26Å; Q535-Y539 PolarHBondContact O-N 3.31Å; Q535-Y539 VanDerWaalsContact O-N 3.17Å
536	F	93.9	Very high	89.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-53.4	173.3	173.3	-85.3	0	0	0	112	F295 Y298 T303 I305 Y436 I532 P533 D534 S538 Y539 M540	F295-F536 HydrophobicContact CD2-CB 4.29Å; F295-F536 AromaticContact CD2-CD1 3.61Å; F295-F536 HydrophobicContact CD2-CD1 3.61Å; F295-F536 HydrophobicContact CD2-CE1 4.06Å; F295-F536 AromaticContact CD2-CG 3.91Å; F295-F536 HydrophobicContact CD2-CG 3.91Å; F295-F536 HydrophobicContact CE2-CB 4.37Å; F295-F536 HydrophobicContact CE2-CD1 4.12Å; F295-F536 HydrophobicContact CE2-CD2 4.25Å; F295-F536 AromaticContact CE2-CG 3.99Å; F295-F536 HydrophobicContact CE2-CG 3.99Å; Y298-F536 HydrophobicContact CD1-CE1 4.16Å; Y298-F536 HydrophobicContact CD1-CZ 4.06Å; Y298-F536 AromaticContact CD2-CE1 3.63Å; Y298-F536 HydrophobicContact CD2-CE1 3.63Å; Y298-F536 HydrophobicContact CD2-CZ 4.27Å; Y298-F536 HydrophobicContact CE2-CE1 4.3Å; Y298-F536 AromaticContact CG-CE1 3.55Å; Y298-F536 HydrophobicContact CG-CE1 3.55Å; Y298-F536 AromaticContact CG-CZ 3.71Å; Y298-F536 HydrophobicContact CG-CZ 3.71Å; T303-F536 HydrophobicContact CG2-CE2 3.69Å; T303-F536 HydrophobicContact CG2-CZ 3.81Å; I305-F536 HydrophobicContact CD1-CD2 4.17Å; I305-F536 HydrophobicContact CD1-CE2 4.12Å; Y436-F536 AromaticContact CD1-CD2 3.98Å; Y436-F536 HydrophobicContact CD1-CD2 3.98Å; Y436-F536 AromaticContact CD2-CD2 3.56Å; Y436-F536 HydrophobicContact CD2-CD2 3.56Å; Y436-F536 HydrophobicContact CD2-CE2 4.07Å; Y436-F536 HydrophobicContact CD2-CG 4.49Å; Y436-F536 HydrophobicContact CE1-CB 4.42Å; Y436-F536 HydrophobicContact CE1-CD2 4.38Å; Y436-F536 HydrophobicContact CE2-CB 4.35Å; Y436-F536 AromaticContact CE2-CD2 3.99Å; Y436-F536 HydrophobicContact CE2-CD2 3.99Å; Y436-F536 AromaticContact CG-CD2 3.54Å; Y436-F536 HydrophobicContact CG-CD2 3.54Å; Y436-F536 HydrophobicContact CG-CE2 4.03Å; I532-F536 WeakPolarHBondContact O-CB 3.33Å; I532-F536 PolarHBondContact O-N 3.27Å; P533-F536 WeakPolarHBondContact O-CB 3.29Å; D534-F536 VanDerWaalsContact C-N 3.28Å; D534-F536 PolarHBondContact O-N 2.88Å; F536-S538 VanDerWaalsContact C-N 3.27Å; F536-S538 PolarHBondContact O-N 3.07Å; F536-Y539 VanDerWaalsContact O-N 3.16Å; F536-Y539 PolarHBondContact O-N 3.34Å; F536-Y539 WeakPolarHBondContact O-CB 3.26Å; F536-M540 HydrophobicContact CD1-CG 4.19Å; F536-M540 PolarHBondContact O-N 3.46Å; F536-M540 WeakPolarHBondContact O-CG 3.22Å; F536-M540 HydrophobicContact CZ-SD 4.41Å; F536-M540 HydrophobicContact CZ-CG 3.84Å; F536-M540 HydrophobicContact CZ-CE 3.31Å; F536-M540 HydrophobicContact CE2-CG 4.4Å; F536-M540 HydrophobicContact CE2-CE 3.34Å; F536-M540 HydrophobicContact CE1-CG 3.72Å; F536-M540 HydrophobicContact CE1-CE 4.18Å; F536-M540 HydrophobicContact CD2-CE 4.22Å
537	L	91.1	Very high	89.7	Confident	23 Å²	23	50.1 Å²	50.1	12%	0.12	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-34.8	-178.6	-73.3	173.7	0	0	0	111.7	L293 Y298 P533 D534 M540 R541	L293-L537 WeakPolarHBondContact O-CD2 3.35Å; Y298-L537 HydrophobicContact CD2-CD2 4.08Å; Y298-L537 HydrophobicContact CE2-CD2 3.76Å; P533-L537 WeakPolarHBondContact O-CB 3.36Å; P533-L537 WeakPolarHBondContact O-CG 3.42Å; P533-L537 PolarHBondContact O-N 2.88Å; D534-L537 PolarHBondContact O-N 3.3Å; L537-M540 PolarHBondContact O-N 3.32Å; L537-R541 WeakPolarHBondContact O-CB 3.47Å; L537-R541 PolarHBondContact O-N 3.17Å
538	S	90.4	Very high	89.5	Confident	38 Å²	38	47 Å²	47	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-45.7	173.4	-178.4	0	0	0	0	111.7	R499 D534 F536 T542	R499-S538 WeakPolarHBondContact CD-OG 3.4Å; D534-S538 WeakPolarHBondContact O-CB 3Å; D534-S538 PolarHBondContact O-N 2.92Å; F536-S538 VanDerWaalsContact C-N 3.27Å; F536-S538 PolarHBondContact O-N 3.07Å; S538-T542 PolarHBondContact O-OG1 2.93Å; S538-T542 PolarHBondContact O-N 3.47Å; S538-T542 WeakPolarHBondContact O-CB 3.15Å
539	Y	93.1	Very high	89	Confident	19 Å²	19	53 Å²	53	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-52.9	174.3	174.7	-97.4	0	0	0	111.9	Y436 P464 Q535 F536 R541 T542 R543 I545	Y436-Y539 HydrophobicContact CD2-CD1 4.36Å; Y436-Y539 HydrophobicContact CE2-CD1 4.24Å; Y436-Y539 HydrophobicContact CE2-CG 4.21Å; P464-Y539 HydrophobicContact CB-CD1 4.13Å; P464-Y539 HydrophobicContact CB-CE1 3.56Å; P464-Y539 HydrophobicContact CB-CE2 4.09Å; Q535-Y539 PolarHBondContact O-N 3.31Å; Q535-Y539 VanDerWaalsContact O-N 3.17Å; F536-Y539 VanDerWaalsContact O-N 3.16Å; F536-Y539 PolarHBondContact O-N 3.34Å; F536-Y539 WeakPolarHBondContact O-CB 3.26Å; Y539-R541 VanDerWaalsContact C-N 3.31Å; Y539-R541 PolarHBondContact O-N 3.27Å; Y539-T542 PolarHBondContact O-N 2.86Å; Y539-R543 HydrophobicContact CD2-CG 4.33Å; Y539-R543 HydrophobicContact CE1-CG 4.41Å; Y539-R543 HydrophobicContact CE2-CG 3.91Å; Y539-R543 PolarHBondContact O-N 3.37Å; Y539-R543 VanDerWaalsContact O-N 3.08Å; Y539-I545 HydrophobicContact CE1-CD1 3.85Å
540	M	92.5	Very high	87.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-42.3	-176.6	-65.8	-58.1	-178.5	0	0	111.7	Y298 T303 G433 F536 L537 R543 G544 I545	Y298-M540 HydrophobicContact CD1-CE 4.38Å; Y298-M540 HydrophobicContact CD1-CG 4.05Å; Y298-M540 HydrophobicContact CD1-SD 4.28Å; Y298-M540 HydrophobicContact CE1-CB 3.79Å; Y298-M540 HydrophobicContact CE1-CG 3.65Å; Y298-M540 HydrophobicContact CE1-SD 4.01Å; Y298-M540 HydrophobicContact CE2-CB 4.37Å; Y298-M540 HydrophobicContact CE2-CG 4.48Å; Y298-M540 WeakPolarHBondContact OH-CB 3.05Å; T303-M540 HydrophobicContact CG2-CE 4.31Å; G433-M540 WeakPolarHBondContact O-CE 3.12Å; F536-M540 HydrophobicContact CD1-CG 4.19Å; F536-M540 PolarHBondContact O-N 3.46Å; F536-M540 WeakPolarHBondContact O-CG 3.22Å; F536-M540 HydrophobicContact CZ-SD 4.41Å; F536-M540 HydrophobicContact CZ-CG 3.84Å; F536-M540 HydrophobicContact CZ-CE 3.31Å; F536-M540 HydrophobicContact CE2-CG 4.4Å; F536-M540 HydrophobicContact CE2-CE 3.34Å; F536-M540 HydrophobicContact CE1-CG 3.72Å; F536-M540 HydrophobicContact CE1-CE 4.18Å; F536-M540 HydrophobicContact CD2-CE 4.22Å; L537-M540 PolarHBondContact O-N 3.32Å; M540-R543 PolarHBondContact O-N 3.29Å; M540-G544 PolarHBondContact O-N 3.23Å; M540-I545 HydrophobicContact CB-CB 4.45Å; M540-I545 PolarHBondContact O-N 3.26Å; M540-I545 HydrophobicContact SD-CB 3.84Å; M540-I545 HydrophobicContact SD-CD1 3.8Å; M540-I545 HydrophobicContact SD-CG1 4.42Å; M540-I545 HydrophobicContact SD-CG2 3.74Å
541	R	88.3	Confident	86.7	Confident	173 Å²	173	58.3 Å²	58.3	65%	0.653	31%	0.314	S	S	*	.	H	α-helix	trans	-64.7	-46.6	177.9	-170.9	-173.7	-57.4	138.9	3.7	112	L537 Y539 R543 G544	L537-R541 WeakPolarHBondContact O-CB 3.47Å; L537-R541 PolarHBondContact O-N 3.17Å; Y539-R541 VanDerWaalsContact C-N 3.31Å; Y539-R541 PolarHBondContact O-N 3.27Å; R541-R543 PolarHBondContact O-N 3.36Å; R541-G544 PolarHBondContact O-N 3.2Å
542	T	88	Confident	85	Confident	74 Å²	74	61.3 Å²	61.3	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-31.1	-179	-56.2	0	0	0	0	111.9	S538 Y539	S538-T542 PolarHBondContact O-OG1 2.93Å; S538-T542 PolarHBondContact O-N 3.47Å; S538-T542 WeakPolarHBondContact O-CB 3.15Å; Y539-T542 PolarHBondContact O-N 2.86Å
543	R	90.6	Very high	83.2	Confident	109 Å²	109	66.8 Å²	66.8	41%	0.411	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.1	176.2	-61.5	-61.6	-174.7	-135.8	-8.2	114	S462 E498 Y539 M540 R541 I545	S462-R543 PolarHBondContact O-NH2 3.12Å; E498-R543 IonicContact OE1-CZ 2.7Å; E498-R543 IonicContact OE1-NH1 2.87Å; E498-R543 PolarHBondContact OE1-NH1 2.78Å; E498-R543 VanDerWaalsContact OE1-NH1 3.12Å; E498-R543 IonicContact OE1-NH2 3.94Å; E498-R543 PolarHBondContact OE1-NH2 3.23Å; E498-R543 IonicContact OE2-CZ 3.72Å; E498-R543 IonicContact OE2-NH1 3.82Å; E498-R543 IonicContact OE2-NH2 3.99Å; E498-R543 PolarHBondContact OE2-NH2 3.24Å; Y539-R543 HydrophobicContact CD2-CG 4.33Å; Y539-R543 HydrophobicContact CE1-CG 4.41Å; Y539-R543 HydrophobicContact CE2-CG 3.91Å; Y539-R543 PolarHBondContact O-N 3.37Å; Y539-R543 VanDerWaalsContact O-N 3.08Å; M540-R543 PolarHBondContact O-N 3.29Å; R541-R543 PolarHBondContact O-N 3.36Å; R543-I545 HydrophobicContact CB-CD1 3.66Å; R543-I545 HydrophobicContact CB-CG1 3.74Å; R543-I545 HydrophobicContact CG-CD1 4.41Å; R543-I545 PolarHBondContact O-N 3.24Å
544	G	89.3	Confident	81.2	Confident	60 Å²	60	72.9 Å²	72.9	62%	0.619	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	23.3	-178.2	0	0	0	0	0	114	M540 R541	M540-G544 PolarHBondContact O-N 3.23Å; R541-G544 PolarHBondContact O-N 3.2Å
545	I	90.9	Very high	78.8	Confident	18 Å²	18	73.1 Å²	73.1	9%	0.092	40%	0.401	C	S	.	.			trans	-79.3	131.9	-177.1	-61.5	169.9	0	0	0	109.3	Y298 D432 Y539 M540 R543	Y298-I545 HydrophobicContact CE1-CG2 4.29Å; Y298-I545 PolarHBondContact OH-O 3.39Å; D432-I545 VanDerWaalsContact O-CG2 3.25Å; D432-I545 WeakPolarHBondContact O-CG2 3.37Å; Y539-I545 HydrophobicContact CE1-CD1 3.85Å; M540-I545 HydrophobicContact CB-CB 4.45Å; M540-I545 PolarHBondContact O-N 3.26Å; M540-I545 HydrophobicContact SD-CB 3.84Å; M540-I545 HydrophobicContact SD-CD1 3.8Å; M540-I545 HydrophobicContact SD-CG1 4.42Å; M540-I545 HydrophobicContact SD-CG2 3.74Å; R543-I545 HydrophobicContact CB-CD1 3.66Å; R543-I545 HydrophobicContact CB-CG1 3.74Å; R543-I545 HydrophobicContact CG-CD1 4.41Å; R543-I545 PolarHBondContact O-N 3.24Å
546	K	90	Very high	76.5	Confident	167 Å²	167	77.2 Å²	77.2	73%	0.726	43%	0.428	S	S	*	.			trans	-105.4	152.3	176.4	-64.3	-174.1	178.2	-175.5	0	110.3
547	P	87.1	Confident	73.7	Confident	34 Å²	34	82.3 Å²	82.3	22%	0.221	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-53.6	144.7	173.9	-27.4	33.3	0	0	0	112.4	L293 D297 Y298	L293-P547 HydrophobicContact CD1-CG 4.43Å; L293-P547 HydrophobicContact CD2-CG 4.07Å; D297-P547 HydrophobicContact CB-CB 4.35Å; D297-P547 HydrophobicContact CB-CG 3.79Å; D297-P547 WeakPolarHBondContact O-CB 3.47Å; Y298-P547 HydrophobicContact CD1-CB 4.34Å; Y298-P547 HydrophobicContact CD1-CG 4.01Å; Y298-P547 HydrophobicContact CD2-CG 3.95Å; Y298-P547 HydrophobicContact CE1-CG 3.98Å; Y298-P547 HydrophobicContact CE2-CG 3.92Å; Y298-P547 HydrophobicContact CG-CB 4.44Å; Y298-P547 HydrophobicContact CG-CG 4Å
548	G	82.4	Confident	70.9	Confident	28 Å²	28	86.3 Å²	86.3	29%	0.289	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-59.4	155.8	174.1	0	0	0	0	0	112.5
549	P	76.1	Confident	68.4	Low	124 Å²	124	90 Å²	90	81%	0.805	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-62.3	142.8	176.8	27.4	-33.3	0	0	0	110.3
550	Q	63.9	Low	65.7	Low	117 Å²	117	94.8 Å²	94.8	55%	0.547	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-60.6	141.3	176.6	-66.6	-171.4	-3.6	0	0	110.4
551	P	60.5	Low	63.1	Low	45 Å²	45	98.6 Å²	98.6	29%	0.292	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-53.4	140.9	169.2	-20.5	29.8	0	0	0	109.6	L122	L122-P551 HydrophobicContact CD1-CG 3.92Å; L122-P551 HydrophobicContact CG-CG 3.89Å
552	P	52.2	Low	60.8	Low	113 Å²	113	98 Å²	98	73%	0.734	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-55.3	146.1	177.5	21.5	-31.1	0	0	0	110.3	Y554	P552-Y554 PolarHBondContact O-N 3.28Å
553	P	53.9	Low	58.3	Low	117 Å²	117	102.3 Å²	102.3	76%	0.76	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-53.4	130.1	176.5	-20.4	29.7	0	0	0	109.7	T555	P553-T555 PolarHBondContact O-N 3.23Å
554	Y	48.4	Very low	56.1	Low	149 Å²	149	102.7 Å²	102.7	58%	0.584	62%	0.617	S	S	*	*			trans	-58.9	113	175	177.3	-98.9	0	0	0	109.2	P552 P556	P552-Y554 PolarHBondContact O-N 3.28Å; Y554-P556 HydrophobicContact CE1-CB 4.16Å; Y554-P556 WeakPolarHBondContact O-CD 3.43Å; Y554-P556 VanDerWaalsContact CE1-CA 3.48Å
555	T	39.5	Very low	53.9	Low	119 Å²	119	111.7 Å²	111.7	73%	0.73	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-79.3	116.8	164.4	40.4	0	0	0	0	107.8	P553 C557	P553-T555 PolarHBondContact O-N 3.23Å; T555-C557 PolarHBondContact O-N 3.04Å
556	P	43.7	Very low	52	Low	95 Å²	95	116.4 Å²	116.4	62%	0.617	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-55.5	130.6	173.6	-4.9	10.9	0	0	0	109.5	Y554	Y554-P556 HydrophobicContact CE1-CB 4.16Å; Y554-P556 WeakPolarHBondContact O-CD 3.43Å; Y554-P556 VanDerWaalsContact CE1-CA 3.48Å
557	C	35.5	Very low	50	Low	107 Å²	107	113.7 Å²	113.7	72%	0.723	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-59.9	128	172.3	-135	0	0	0	0	107.8	T555	T555-C557 PolarHBondContact O-N 3.04Å
558	P	32.9	Very low	48	Very low	106 Å²	106	118.1 Å²	118.1	69%	0.688	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-58.8	141.6	176.8	15.4	-20.8	0	0	0	109.4
559	P	36.8	Very low	45.9	Very low	115 Å²	115	123.4 Å²	123.4	75%	0.747	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-56.5	142	178.1	22	-30.7	0	0	0	109.6	A561	P559-A561 PolarHBondContact O-N 3.25Å
560	P	36.6	Very low	44	Very low	120 Å²	120	123.4 Å²	123.4	78%	0.779	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-55.2	131	177.8	21.2	-30.4	0	0	0	109.1	I562	P560-I562 PolarHBondContact O-N 3.1Å; P560-I562 VanDerWaalsContact O-N 3.1Å
561	A	37.7	Very low	42.7	Very low	80 Å²	80	123.8 Å²	123.8	66%	0.661	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-55.6	119.9	178.4	0	0	0	0	0	108.8	P559 H563	P559-A561 PolarHBondContact O-N 3.25Å; A561-H563 PolarHBondContact O-N 2.98Å
562	I	41.4	Very low	41.4	Very low	160 Å²	160	129.4 Å²	129.4	82%	0.821	76%	0.762	S	S	*	*			trans	-66.2	104.1	171.1	-58.9	173.3	0	0	0	105.6	P560 P564	P560-I562 PolarHBondContact O-N 3.1Å; P560-I562 VanDerWaalsContact O-N 3.1Å; I562-P564 WeakPolarHBondContact O-CD 3.32Å
563	H	34.7	Very low	40.6	Very low	165 Å²	165	130.7 Å²	130.7	76%	0.764	76%	0.764	S	S	*	*			trans	-67.3	119.7	166.9	-77.6	-74.4	0	0	0	107.5	A561 L565	A561-H563 PolarHBondContact O-N 2.98Å; H563-L565 PolarHBondContact O-N 3.42Å
564	P	43.5	Very low	39.5	Very low	118 Å²	118	131.8 Å²	131.8	77%	0.766	77%	0.765	S	S	*	*			trans	-64	132.9	170.8	24	-25.9	0	0	0	108.4	I562	I562-P564 WeakPolarHBondContact O-CD 3.32Å
565	L	43.3	Very low	38.7	Very low	248 Å²	248	130.3 Å²	130.3	100%	1.298	78%	0.781	S	S	*	*			trans	-56.1	0	177.3	-78.7	164.4	0	0	0	112.6	H563	H563-L565 PolarHBondContact O-N 3.42Å

Retrieved 565 of 565 residues in 314.2 ms (Link to these results)

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