A0A077Z3A8_TRITR Loading...

Acyl coenzyme A thioesterase II

AlphaFold DB , UniProt , Accession A0A077Z3A8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	34.5	Very low	192 Å²	192	133 Å²	133	95%	0.946	66%	0.657	S	S	*	*				0	32.6	0	-155.9	-175.4	-105.4	0	0	112.7
2	L	34.7	Very low	35.8	Very low	113 Å²	113	124.4 Å²	124.4	59%	0.592	62%	0.615	S	S	*	*			trans	-97	12.2	-172.5	-96.4	154.4	0	0	0	114.7	V230 S231	L2-V230 WeakPolarHBondContact CD1-O 3.24Å; L2-S231 VanDerWaalsContact CD1-O 3.28Å; L2-S231 WeakPolarHBondContact CD1-O 3.33Å
3	L	37.8	Very low	37.3	Very low	95 Å²	95	128.4 Å²	128.4	50%	0.497	63%	0.627	S	S	.	*	S	Bend	trans	-128.3	6.4	-176.5	-68.3	176.3	0	0	0	113.2	F156 K224	L3-F156 HydrophobicContact CB-CE1 4.5Å; L3-F156 HydrophobicContact CB-CE2 4.13Å; L3-F156 HydrophobicContact CB-CZ 3.53Å; L3-F156 HydrophobicContact CD1-CE2 4.17Å; L3-F156 HydrophobicContact CD1-CZ 4.02Å; L3-F156 HydrophobicContact CD2-CD1 4.25Å; L3-F156 HydrophobicContact CD2-CE1 3.16Å; L3-F156 HydrophobicContact CD2-CE2 3.87Å; L3-F156 HydrophobicContact CD2-CZ 2.97Å; L3-F156 HydrophobicContact CG-CE1 4.26Å; L3-F156 HydrophobicContact CG-CE2 4.23Å; L3-F156 HydrophobicContact CG-CZ 3.6Å; L3-K224 HydrophobicContact CD1-CD 4.32Å; L3-K224 HydrophobicContact CD1-CG 4.3Å
4	G	29.1	Very low	39.3	Very low	53 Å²	53	121.6 Å²	121.6	55%	0.546	60%	0.599	S	S	.	*			trans	-141.9	78	-178.5	0	0	0	0	0	110.6
5	Q	29	Very low	41.2	Very low	148 Å²	148	114.5 Å²	114.5	69%	0.692	57%	0.567	S	S	*	*	S	Bend	trans	-161.7	136.3	154.5	-108.9	166.3	44.2	0	0	110.4	L7	Q5-L7 PolarHBondContact O-N 3.04Å
6	H	31.2	Very low	43.2	Very low	173 Å²	173	116.8 Å²	116.8	80%	0.801	58%	0.576	S	S	*	*			trans	-27.5	112.7	-168.2	-68.9	-59.4	0	0	0	116.5	R8	H6-R8 PolarHBondContact O-N 3.25Å
7	L	37	Very low	45.2	Very low	152 Å²	152	114.7 Å²	114.7	80%	0.796	56%	0.564	S	S	*	*			trans	-57.2	87.8	153.9	-74.2	164.2	0	0	0	108.2	Q5 R9	Q5-L7 PolarHBondContact O-N 3.04Å; L7-R9 PolarHBondContact O-N 2.83Å
8	R	31.1	Very low	46.9	Very low	224 Å²	224	108.6 Å²	108.6	85%	0.845	53%	0.534	S	S	*	.			trans	-67.4	88	154.3	-85.8	-169.4	176.5	-169.7	0.5	105.9	H6 L10	H6-R8 PolarHBondContact O-N 3.25Å; R8-L10 PolarHBondContact O-N 3.37Å
9	R	36.1	Very low	48.6	Very low	168 Å²	168	105.1 Å²	105.1	63%	0.634	52%	0.517	S	S	*	.			trans	-48.9	102.9	168.9	-71.9	177.8	171.8	-148.4	-13.6	107.4	L7 A11 D164	L7-R9 PolarHBondContact O-N 2.83Å; R9-A11 HydrophobicContact CB-CB 4.15Å; R9-A11 PolarHBondContact O-N 3.36Å; R9-D164 IonicContact CZ-OD1 3.32Å; R9-D164 IonicContact CZ-OD2 3.81Å; R9-D164 VanDerWaalsContact CZ-OD2 3.28Å; R9-D164 IonicContact NE-OD2 2.78Å; R9-D164 IonicContact NH1-OD1 3.63Å; R9-D164 PolarHBondContact NH1-OD1 3.15Å; R9-D164 IonicContact NH1-OD2 3.95Å; R9-D164 PolarHBondContact NH1-OD2 2.78Å; R9-D164 VanDerWaalsContact NH1-OD2 3.09Å; R9-D164 IonicContact NH2-OD1 2.76Å; R9-D164 PolarHBondContact NH2-OD1 2.95Å; R9-D164 IonicContact NH2-OD2 3Å; R9-D164 PolarHBondContact NH2-OD2 2.74Å
10	L	38.4	Very low	50.3	Low	106 Å²	106	101.9 Å²	101.9	56%	0.555	51%	0.506	S	S	*	.			trans	-67.4	82.9	132.4	-81	174.5	0	0	0	103.5	R8 I12 S42	R8-L10 PolarHBondContact O-N 3.37Å; L10-I12 VanDerWaalsContact C-N 3.28Å; L10-I12 PolarHBondContact O-N 2.82Å; L10-S42 VanDerWaalsContact CB-OG 3.25Å; L10-S42 WeakPolarHBondContact CB-OG 3.2Å; L10-S42 VanDerWaalsContact CD1-CB 3.46Å; L10-S42 WeakPolarHBondContact CD1-OG 3.41Å; L10-S42 VanDerWaalsContact CG-OG 3.22Å; L10-S42 WeakPolarHBondContact CG-OG 3.22Å
11	A	42.8	Very low	51.8	Low	39 Å²	39	98.3 Å²	98.3	32%	0.322	49%	0.489	S	S	.	.			trans	-59.4	107.9	165.4	0	0	0	0	0	103	R9 K13	R9-A11 HydrophobicContact CB-CB 4.15Å; R9-A11 PolarHBondContact O-N 3.36Å; A11-K13 VanDerWaalsContact O-CG 3.22Å; A11-K13 WeakPolarHBondContact O-CG 3.39Å; A11-K13 PolarHBondContact O-N 3.49Å; A11-K13 VanDerWaalsContact O-N 3.15Å
12	I	50.3	Low	54	Low	30 Å²	30	89.2 Å²	89.2	15%	0.154	45%	0.445	C	S	.	.			trans	-43.7	125.3	142.8	-57.7	-179.4	0	0	0	103.4	L10 S14 E17 I18 A161 Y165	L10-I12 VanDerWaalsContact C-N 3.28Å; L10-I12 PolarHBondContact O-N 2.82Å; I12-S14 WeakPolarHBondContact CG2-O 3.49Å; I12-E17 VanDerWaalsContact CA-OE2 3.31Å; I12-E17 WeakPolarHBondContact CA-OE2 3.45Å; I12-E17 HydrophobicContact CG2-CB 3.53Å; I12-I18 HydrophobicContact CB-CG1 4.36Å; I12-I18 HydrophobicContact CD1-CD1 3.98Å; I12-I18 HydrophobicContact CD1-CG1 3.39Å; I12-I18 HydrophobicContact CG1-CG1 4.41Å; I12-I18 HydrophobicContact CG2-CB 4.49Å; I12-I18 HydrophobicContact CG2-CD1 3.99Å; I12-I18 HydrophobicContact CG2-CG1 3.6Å; I12-A161 HydrophobicContact CD1-CB 3.55Å; I12-A161 HydrophobicContact CG1-CB 4.33Å; I12-Y165 HydrophobicContact CB-CE2 3.73Å; I12-Y165 HydrophobicContact CG2-CE1 4.48Å; I12-Y165 HydrophobicContact CG2-CE2 3.67Å; I12-Y165 VanDerWaalsContact CG2-CZ 3.49Å; I12-Y165 WeakPolarHBondContact CG2-OH 3.23Å; I12-Y165 PolarHBondContact O-OH 3.26Å
13	K	54.6	Low	56.1	Low	176 Å²	176	85.4 Å²	85.4	77%	0.765	43%	0.428	S	S	*	.			trans	-96.8	-20.7	-170	-61.1	-174.7	-179	173	0	113.3	A11 E17 Y165	A11-K13 VanDerWaalsContact O-CG 3.22Å; A11-K13 WeakPolarHBondContact O-CG 3.39Å; A11-K13 PolarHBondContact O-N 3.49Å; A11-K13 VanDerWaalsContact O-N 3.15Å; K13-E17 PolarHBondContact N-OE2 3.01Å; K13-Y165 WeakPolarHBondContact CA-OH 3.06Å; K13-Y165 PolarHBondContact N-OH 2.9Å; K13-Y165 VanDerWaalsContact N-OH 3.12Å
14	S	66	Low	58.4	Low	34 Å²	34	81 Å²	81	24%	0.238	41%	0.406	C	S	.	.	S	Bend	trans	-145.5	160.4	178.7	72.4	0	0	0	0	113.8	I12 E16 E17 Y165	I12-S14 WeakPolarHBondContact CG2-O 3.49Å; S14-E16 PolarHBondContact O-N 3.28Å; S14-E17 WeakPolarHBondContact O-CB 3.2Å; S14-E17 PolarHBondContact O-N 3.14Å; S14-E17 VanDerWaalsContact O-N 3.1Å; S14-E17 PolarHBondContact OG-N 2.77Å; S14-Y165 WeakPolarHBondContact CA-OH 3.49Å; S14-Y165 PolarHBondContact N-OH 2.82Å; S14-Y165 VanDerWaalsContact O-CE1 3.31Å; S14-Y165 WeakPolarHBondContact O-CE1 3.35Å; S14-Y165 PolarHBondContact O-OH 2.78Å
15	A	67	Low	61.4	Low	15 Å²	15	79.2 Å²	79.2	12%	0.124	38%	0.384	C	S	.	.	H	α-helix	trans	-62.3	-31.7	176.5	0	0	0	0	0	111.3	E17 I18 I19 Y165 N194	A15-E17 VanDerWaalsContact C-N 3.28Å; A15-E17 PolarHBondContact O-N 3.06Å; A15-I18 PolarHBondContact O-N 3.27Å; A15-I19 VanDerWaalsContact O-CG1 3.29Å; A15-I19 WeakPolarHBondContact O-CG1 3.22Å; A15-I19 PolarHBondContact O-N 3.43Å; A15-Y165 HydrophobicContact CB-CD1 4.16Å; A15-Y165 HydrophobicContact CB-CE1 4.41Å; A15-Y165 VanDerWaalsContact N-CE1 3.26Å; A15-N194 HydrophobicContact CB-CB 3.85Å
16	E	74	Confident	64.6	Low	151 Å²	151	75.6 Å²	75.6	71%	0.706	37%	0.367	S	S	*	.	H	α-helix	trans	-60	-37.2	174.2	-62.5	171.4	167.5	0	0	111.9	S14 I19 S20	S14-E16 PolarHBondContact O-N 3.28Å; E16-I19 PolarHBondContact O-N 3.1Å; E16-S20 WeakPolarHBondContact O-CB 3.31Å; E16-S20 PolarHBondContact O-N 3.03Å
17	E	76.3	Confident	67.7	Low	81 Å²	81	73.5 Å²	73.5	38%	0.379	35%	0.352	S	S	.	.	H	α-helix	trans	-66.8	-43.4	176.9	-78.3	179	-177.1	0	0	111.7	I12 K13 S14 A15 S20 V21	I12-E17 VanDerWaalsContact CA-OE2 3.31Å; I12-E17 WeakPolarHBondContact CA-OE2 3.45Å; I12-E17 HydrophobicContact CG2-CB 3.53Å; K13-E17 PolarHBondContact N-OE2 3.01Å; S14-E17 WeakPolarHBondContact O-CB 3.2Å; S14-E17 PolarHBondContact O-N 3.14Å; S14-E17 VanDerWaalsContact O-N 3.1Å; S14-E17 PolarHBondContact OG-N 2.77Å; A15-E17 VanDerWaalsContact C-N 3.28Å; A15-E17 PolarHBondContact O-N 3.06Å; E17-S20 WeakPolarHBondContact O-CB 3.3Å; E17-S20 PolarHBondContact O-N 2.94Å; E17-V21 WeakPolarHBondContact O-CB 3.29Å; E17-V21 VanDerWaalsContact O-CG2 3.23Å; E17-V21 WeakPolarHBondContact O-CG2 3.47Å; E17-V21 PolarHBondContact O-N 3.47Å
18	I	75.8	Confident	70.6	Confident	5 Å²	5	70 Å²	70	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-45.5	174.3	-80.5	158.4	0	0	0	111.3	I12 A15 S20 V21 L22 M162 Y165 F206	I12-I18 HydrophobicContact CB-CG1 4.36Å; I12-I18 HydrophobicContact CD1-CD1 3.98Å; I12-I18 HydrophobicContact CD1-CG1 3.39Å; I12-I18 HydrophobicContact CG1-CG1 4.41Å; I12-I18 HydrophobicContact CG2-CB 4.49Å; I12-I18 HydrophobicContact CG2-CD1 3.99Å; I12-I18 HydrophobicContact CG2-CG1 3.6Å; A15-I18 PolarHBondContact O-N 3.27Å; I18-S20 PolarHBondContact O-N 2.84Å; I18-V21 PolarHBondContact O-N 2.88Å; I18-L22 HydrophobicContact CG2-CD1 3.51Å; I18-L22 HydrophobicContact CG2-CG 3.99Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 2.96Å; I18-M162 HydrophobicContact CD1-CB 4.36Å; I18-M162 HydrophobicContact CD1-CG 4.06Å; I18-Y165 HydrophobicContact CD1-CD1 3.99Å; I18-Y165 HydrophobicContact CD1-CD2 2.97Å; I18-Y165 HydrophobicContact CD1-CE1 4.26Å; I18-Y165 HydrophobicContact CD1-CE2 3.29Å; I18-Y165 HydrophobicContact CD1-CG 3.32Å; I18-Y165 HydrophobicContact CG1-CD2 4.34Å; I18-Y165 HydrophobicContact CG1-CE2 4.32Å; I18-F206 HydrophobicContact CG2-CE1 3.47Å; I18-F206 VanDerWaalsContact CG2-CE1 3.47Å; I18-F206 HydrophobicContact CG2-CZ 3.96Å
19	I	79.4	Confident	73.7	Confident	41 Å²	41	63.9 Å²	63.9	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-56.1	-45.9	177.1	-70.9	168.8	0	0	0	109.2	A15 E16 V21 L22 S23 M202 F206	A15-I19 VanDerWaalsContact O-CG1 3.29Å; A15-I19 WeakPolarHBondContact O-CG1 3.22Å; A15-I19 PolarHBondContact O-N 3.43Å; E16-I19 PolarHBondContact O-N 3.1Å; I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 PolarHBondContact O-N 2.75Å; I19-L22 PolarHBondContact O-N 3.05Å; I19-S23 WeakPolarHBondContact O-CB 3.13Å; I19-S23 PolarHBondContact O-N 2.71Å; I19-S23 PolarHBondContact O-OG 2.75Å; I19-M202 HydrophobicContact CG1-SD 4.46Å; I19-M202 HydrophobicContact CG2-CE 3.81Å; I19-M202 HydrophobicContact CG2-SD 4.04Å; I19-F206 HydrophobicContact CG1-CE2 4.23Å; I19-F206 HydrophobicContact CG1-CZ 3.87Å
20	S	82.2	Confident	76.5	Confident	42 Å²	42	58.9 Å²	58.9	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-39.1	176.6	-172.4	0	0	0	0	112.4	E16 E17 I18 G24 H37	E16-S20 WeakPolarHBondContact O-CB 3.31Å; E16-S20 PolarHBondContact O-N 3.03Å; E17-S20 WeakPolarHBondContact O-CB 3.3Å; E17-S20 PolarHBondContact O-N 2.94Å; I18-S20 PolarHBondContact O-N 2.84Å; S20-G24 WeakPolarHBondContact O-CA 3.38Å; S20-G24 PolarHBondContact O-N 2.9Å; S20-H37 PolarHBondContact O-CD2 2.94Å; S20-H37 PolarHBondContact OG-NE2 2.86Å
21	V	81.4	Confident	79.4	Confident	26 Å²	26	55.9 Å²	55.9	16%	0.158	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-42.8	177.2	169.1	0	0	0	0	112	E17 I18 I19 H37 Q52 Q56	E17-V21 WeakPolarHBondContact O-CB 3.29Å; E17-V21 VanDerWaalsContact O-CG2 3.23Å; E17-V21 WeakPolarHBondContact O-CG2 3.47Å; E17-V21 PolarHBondContact O-N 3.47Å; I18-V21 PolarHBondContact O-N 2.88Å; I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 PolarHBondContact O-N 2.75Å; V21-H37 HydrophobicContact CG2-CB 4.25Å; V21-Q52 VanDerWaalsContact CG1-CD 3.41Å; V21-Q52 HydrophobicContact CG1-CG 4.21Å; V21-Q56 PolarHBondContact O-NE2 3.36Å
22	L	79.5	Confident	82	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-76.6	-41.2	-177.4	-65.3	174.9	0	0	0	112.9	I18 I19 Q52 F206	I18-L22 HydrophobicContact CG2-CD1 3.51Å; I18-L22 HydrophobicContact CG2-CG 3.99Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 2.96Å; I19-L22 PolarHBondContact O-N 3.05Å; L22-Q52 HydrophobicContact CD2-CB 4.42Å; L22-Q52 HydrophobicContact CD2-CG 4.2Å; L22-F206 HydrophobicContact CD1-CD1 3.66Å; L22-F206 HydrophobicContact CD1-CE1 3.5Å; L22-F206 VanDerWaalsContact CD1-CE1 3.5Å; L22-F206 HydrophobicContact CD1-CG 4.4Å; L22-F206 HydrophobicContact CD1-CZ 4.08Å
23	S	79.8	Confident	84.3	Confident	34 Å²	34	54 Å²	54	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-91.1	-9.3	179.8	67.2	0	0	0	0	114.4	I19 V25	I19-S23 WeakPolarHBondContact O-CB 3.13Å; I19-S23 PolarHBondContact O-N 2.71Å; I19-S23 PolarHBondContact O-OG 2.75Å; S23-V25 PolarHBondContact O-N 2.99Å
24	G	85.5	Confident	86.3	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.031	26%	0.264	C	S	.	.			trans	-74.8	69.6	-175.2	0	0	0	0	0	113	S20 S35 M36	S20-G24 WeakPolarHBondContact O-CA 3.38Å; S20-G24 PolarHBondContact O-N 2.9Å; G24-S35 WeakPolarHBondContact O-CA 3.46Å; G24-M36 PolarHBondContact O-N 2.84Å
25	V	92.9	Very high	87.5	Confident	14 Å²	14	49 Å²	49	9%	0.085	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.5	165.1	-69.5	0	0	0	0	108.7	S23 F33 R34 Q56 M59 A60 Y90	S23-V25 PolarHBondContact O-N 2.99Å; V25-F33 HydrophobicContact CB-CB 4.29Å; V25-F33 HydrophobicContact CG2-CD1 4.44Å; V25-R34 CarbonylContact C-O 3.52Å; V25-R34 VanDerWaalsContact CA-O 3.3Å; V25-R34 WeakPolarHBondContact CA-O 3.15Å; V25-Q56 HydrophobicContact CG1-CB 3.77Å; V25-Q56 HydrophobicContact CG1-CG 4.09Å; V25-M59 HydrophobicContact CG2-CB 3.78Å; V25-A60 HydrophobicContact CG2-CB 4.38Å; V25-Y90 HydrophobicContact CG1-CD2 4.16Å; V25-Y90 HydrophobicContact CG1-CE2 4Å
26	E	95	Very high	88.4	Confident	73 Å²	73	52.7 Å²	52.7	34%	0.341	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	144.9	174.3	70.5	-176.1	143	0	0	110	V28 F33 R34 M36	E26-V28 HydrophobicContact CG-CG2 4.39Å; E26-V28 PolarHBondContact O-N 3.3Å; E26-F33 CarbonylContact O-C 3.49Å; E26-F33 WeakPolarHBondContact O-CA 3.25Å; E26-F33 WeakPolarHBondContact O-CB 3.43Å; E26-R34 HydrophobicContact CG-CB 3.99Å; E26-R34 PolarHBondContact N-O 3.12Å; E26-R34 PolarHBondContact O-N 2.85Å; E26-R34 IonicContact OE1-CZ 3.39Å; E26-R34 IonicContact OE1-NE 3.41Å; E26-R34 PolarHBondContact OE1-NE 3.42Å; E26-R34 IonicContact OE1-NH2 2.86Å; E26-R34 PolarHBondContact OE1-NH2 3.23Å; E26-R34 IonicContact OE2-NH2 3.13Å; E26-M36 HydrophobicContact CB-CG 4.09Å; E26-M36 HydrophobicContact CB-SD 4.41Å; E26-M36 HydrophobicContact CG-CG 4.43Å
27	R	96.7	Very high	88.5	Confident	128 Å²	128	48.6 Å²	48.6	48%	0.483	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.6	174.5	-171.1	-173.4	-61.3	-101.5	1.3	109.2	D29 S30 F33 N63	R27-D29 WeakPolarHBondContact CG-O 3.41Å; R27-S30 PolarHBondContact NH1-O 2.96Å; R27-F33 HydrophobicContact CB-CD1 4.03Å; R27-F33 HydrophobicContact CB-CE1 3.81Å; R27-F33 HydrophobicContact CG-CD1 4.43Å; R27-F33 HydrophobicContact CG-CE1 4.02Å; R27-F33 HydrophobicContact CG-CZ 4.22Å; R27-N63 PolarHBondContact NH2-O 2.85Å
28	V	97.3	Very high	87.9	Confident	78 Å²	78	47.4 Å²	47.4	47%	0.473	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-36	175.2	-176.6	0	0	0	0	110.9	E26 V32 R34	E26-V28 HydrophobicContact CG-CG2 4.39Å; E26-V28 PolarHBondContact O-N 3.3Å; V28-V32 HydrophobicContact CB-CG1 4.35Å; V28-V32 PolarHBondContact N-O 3.02Å; V28-R34 HydrophobicContact CG2-CB 3.59Å
29	D	97	Very high	87.3	Confident	96 Å²	96	47.4 Å²	47.4	51%	0.513	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	172.5	173.7	-156.3	-51.1	0	0	0	109.1	R27 N31 V32	R27-D29 WeakPolarHBondContact CG-O 3.41Å; D29-N31 PolarHBondContact O-N 2.7Å; D29-V32 HydrophobicContact CB-CB 3.85Å; D29-V32 HydrophobicContact CB-CG2 3.97Å; D29-V32 PolarHBondContact N-O 2.83Å; D29-V32 PolarHBondContact O-N 3.18Å; D29-V32 VanDerWaalsContact O-N 3.14Å; D29-V32 VanDerWaalsContact O-O 3.13Å
30	S	95.6	Very high	86.3	Confident	63 Å²	63	47.1 Å²	47.1	44%	0.441	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-36.4	-43.7	174	54.8	0	0	0	0	114.8	R27	R27-S30 PolarHBondContact NH1-O 2.96Å
31	N	98	Very high	84.8	Confident	44 Å²	44	52.4 Å²	52.4	24%	0.235	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	25	178.5	-52.9	-60.7	0	0	0	113	D29 I92 R94	D29-N31 PolarHBondContact O-N 2.7Å; N31-I92 HydrophobicContact CB-CB 4.24Å; N31-I92 VanDerWaalsContact CB-O 3.22Å; N31-I92 WeakPolarHBondContact CB-O 3.38Å; N31-I92 PolarHBondContact O-N 2.67Å; N31-R94 PolarHBondContact OD1-NE 3.25Å; N31-R94 PolarHBondContact OD1-NH2 2.87Å
32	V	98.3	Very high	83.3	Confident	26 Å²	26	53.4 Å²	53.4	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.6	177.7	-173.9	0	0	0	0	108.9	V28 D29 Y90 F91	V28-V32 HydrophobicContact CB-CG1 4.35Å; V28-V32 PolarHBondContact N-O 3.02Å; D29-V32 HydrophobicContact CB-CB 3.85Å; D29-V32 HydrophobicContact CB-CG2 3.97Å; D29-V32 PolarHBondContact N-O 2.83Å; D29-V32 PolarHBondContact O-N 3.18Å; D29-V32 VanDerWaalsContact O-N 3.14Å; D29-V32 VanDerWaalsContact O-O 3.13Å; V32-Y90 WeakPolarHBondContact CA-O 3.35Å; V32-F91 HydrophobicContact CG1-CD1 4.37Å; V32-F91 HydrophobicContact CG1-CE1 4.11Å; V32-F91 HydrophobicContact CG1-CZ 4.24Å; V32-F91 HydrophobicContact CG2-CD1 3.77Å; V32-F91 HydrophobicContact CG2-CE1 3.87Å
33	F	97.9	Very high	82	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.4	178	-63	-103.5	0	0	0	110.5	V25 E26 R27 A60 N63 T64 L89 Y90 I92	V25-F33 HydrophobicContact CB-CB 4.29Å; V25-F33 HydrophobicContact CG2-CD1 4.44Å; E26-F33 CarbonylContact O-C 3.49Å; E26-F33 WeakPolarHBondContact O-CA 3.25Å; E26-F33 WeakPolarHBondContact O-CB 3.43Å; R27-F33 HydrophobicContact CB-CD1 4.03Å; R27-F33 HydrophobicContact CB-CE1 3.81Å; R27-F33 HydrophobicContact CG-CD1 4.43Å; R27-F33 HydrophobicContact CG-CE1 4.02Å; R27-F33 HydrophobicContact CG-CZ 4.22Å; F33-A60 HydrophobicContact CB-CB 3.9Å; F33-A60 HydrophobicContact CD1-CB 4.41Å; F33-A60 HydrophobicContact CD2-CB 3.84Å; F33-A60 HydrophobicContact CE2-CB 4.48Å; F33-A60 WeakPolarHBondContact CE2-O 3.26Å; F33-A60 HydrophobicContact CG-CB 3.8Å; F33-N63 HydrophobicContact CE1-CB 3.64Å; F33-N63 HydrophobicContact CZ-CB 3.61Å; F33-T64 HydrophobicContact CE2-CG2 3.7Å; F33-T64 HydrophobicContact CZ-CG2 4.02Å; F33-L89 CarbonylContact O-C 3.53Å; F33-L89 WeakPolarHBondContact O-CA 3.15Å; F33-Y90 PolarHBondContact N-O 2.77Å; F33-Y90 PolarHBondContact O-N 2.95Å; F33-I92 HydrophobicContact CD2-CD1 3.91Å; F33-I92 HydrophobicContact CD2-CG1 4.5Å; F33-I92 HydrophobicContact CE2-CD1 4.45Å
34	R	96	Very high	80.5	Confident	104 Å²	104	61.1 Å²	61.1	39%	0.392	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.9	177.7	-177.9	171.1	64.5	-167.5	-0.5	110.1	V25 E26 V28 M36 V88 L89	V25-R34 CarbonylContact C-O 3.52Å; V25-R34 VanDerWaalsContact CA-O 3.3Å; V25-R34 WeakPolarHBondContact CA-O 3.15Å; E26-R34 HydrophobicContact CG-CB 3.99Å; E26-R34 PolarHBondContact N-O 3.12Å; E26-R34 PolarHBondContact O-N 2.85Å; E26-R34 IonicContact OE1-CZ 3.39Å; E26-R34 IonicContact OE1-NE 3.41Å; E26-R34 PolarHBondContact OE1-NE 3.42Å; E26-R34 IonicContact OE1-NH2 2.86Å; E26-R34 PolarHBondContact OE1-NH2 3.23Å; E26-R34 IonicContact OE2-NH2 3.13Å; V28-R34 HydrophobicContact CG2-CB 3.59Å; R34-M36 PolarHBondContact O-N 3.35Å; R34-V88 WeakPolarHBondContact CA-O 3.4Å; R34-L89 HydrophobicContact CB-CD2 3.86Å; R34-L89 HydrophobicContact CG-CD2 4.01Å
35	S	92.9	Very high	79.1	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125	171.4	67.9	0	0	0	0	110.2	G24 Q56 S87 V88	G24-S35 WeakPolarHBondContact O-CA 3.46Å; S35-Q56 VanDerWaalsContact CB-OE1 3.3Å; S35-S87 PolarHBondContact O-OG 3.23Å; S35-S87 VanDerWaalsContact O-OG 3.13Å; S35-S87 WeakPolarHBondContact OG-CA 3.29Å; S35-V88 PolarHBondContact N-O 2.85Å; S35-V88 PolarHBondContact OG-N 3.35Å
36	M	85	Confident	77.3	Confident	92 Å²	92	65.6 Å²	65.6	45%	0.453	34%	0.339	S	S	.	.	S	Bend	trans	-69.9	-37.4	179.3	-62.8	-159.8	-48.9	0	0	112	G24 E26 R34	G24-M36 PolarHBondContact O-N 2.84Å; E26-M36 HydrophobicContact CB-CG 4.09Å; E26-M36 HydrophobicContact CB-SD 4.41Å; E26-M36 HydrophobicContact CG-CG 4.43Å; R34-M36 PolarHBondContact O-N 3.35Å
37	H	76	Confident	75.5	Confident	66 Å²	66	63 Å²	63	31%	0.306	33%	0.33	S	S	.	.	S	Bend	trans	-104.2	119.9	-179.7	-58.4	-67.4	0	0	0	109.3	S20 V21	S20-H37 PolarHBondContact O-CD2 2.94Å; S20-H37 PolarHBondContact OG-NE2 2.86Å; V21-H37 HydrophobicContact CG2-CB 4.25Å
38	P	64.4	Low	73.7	Confident	56 Å²	56	57.9 Å²	57.9	36%	0.364	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-59.2	152.6	169.7	-17.1	28.8	0	0	0	110.5	P40 G85	P38-P40 WeakPolarHBondContact O-CD 3.48Å; P38-G85 VanDerWaalsContact CB-C 3.46Å; P38-G85 WeakPolarHBondContact CB-O 3.45Å
39	L	62.7	Low	72.5	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-59.8	125.4	174.7	-66.1	176.2	0	0	0	109.5	E41 Y49 Q52 L53 A82 L84 G85	L39-E41 PolarHBondContact O-N 3.16Å; L39-Y49 HydrophobicContact CD2-CD1 3.76Å; L39-Y49 HydrophobicContact CD2-CE1 4.41Å; L39-Y49 HydrophobicContact CD2-CG 3.96Å; L39-Q52 HydrophobicContact CD2-CG 4.41Å; L39-L53 HydrophobicContact CD1-CD2 4.49Å; L39-A82 HydrophobicContact CD1-CB 3.39Å; L39-L84 HydrophobicContact CB-CD2 3.74Å; L39-L84 HydrophobicContact CD1-CD2 4.44Å; L39-G85 PolarHBondContact O-N 3.41Å
40	P	59.4	Low	71.9	Confident	35 Å²	35	50.4 Å²	50.4	23%	0.227	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-58.1	130.1	-173.4	-14.3	14.8	0	0	0	112.8	P38 S42 M43 Y49	P38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-S42 PolarHBondContact O-N 2.81Å; P40-M43 HydrophobicContact CB-CE 4.23Å; P40-M43 HydrophobicContact CG-CE 3.98Å; P40-Y49 WeakPolarHBondContact CB-OH 3.43Å; P40-Y49 VanDerWaalsContact CD-OH 3.27Å; P40-Y49 WeakPolarHBondContact CD-OH 3.36Å; P40-Y49 HydrophobicContact CG-CE1 3.98Å; P40-Y49 WeakPolarHBondContact CG-OH 3.35Å; P40-Y49 PolarHBondContact O-OH 2.96Å
41	E	49.1	Very low	71.6	Confident	154 Å²	154	47.4 Å²	47.4	72%	0.72	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23	-179	-67	-176.8	169.9	0	0	113.7	L39 M43	L39-E41 PolarHBondContact O-N 3.16Å; E41-M43 PolarHBondContact O-N 2.79Å
42	S	49.5	Very low	71.1	Confident	47 Å²	47	45.6 Å²	45.6	33%	0.329	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	4.6	-168.2	89.9	0	0	0	0	115.9	L10 P40	L10-S42 VanDerWaalsContact CB-OG 3.25Å; L10-S42 WeakPolarHBondContact CB-OG 3.2Å; L10-S42 VanDerWaalsContact CD1-CB 3.46Å; L10-S42 WeakPolarHBondContact CD1-OG 3.41Å; L10-S42 VanDerWaalsContact CG-OG 3.22Å; L10-S42 WeakPolarHBondContact CG-OG 3.22Å; P40-S42 PolarHBondContact O-N 2.81Å
43	M	52.7	Low	70.8	Confident	39 Å²	39	44.8 Å²	44.8	19%	0.192	23%	0.234	C	C	.	.			trans	-102.2	112.1	178.3	-76	-177.5	-121	0	0	111	P40 E41 N45 Y49 A161	P40-M43 HydrophobicContact CB-CE 4.23Å; P40-M43 HydrophobicContact CG-CE 3.98Å; E41-M43 PolarHBondContact O-N 2.79Å; M43-N45 PolarHBondContact O-N 2.91Å; M43-N45 VanDerWaalsContact O-N 3.09Å; M43-Y49 HydrophobicContact CB-CE2 3.96Å; M43-Y49 WeakPolarHBondContact CB-OH 3.25Å; M43-Y49 HydrophobicContact CE-CE1 4.1Å; M43-Y49 VanDerWaalsContact CE-OH 3.25Å; M43-Y49 WeakPolarHBondContact CE-OH 3.2Å; M43-Y49 HydrophobicContact SD-CE1 4.23Å; M43-A161 HydrophobicContact CE-CB 3.46Å; M43-A161 VanDerWaalsContact CE-CB 3.46Å; M43-A161 HydrophobicContact SD-CB 3.87Å
44	Q	48.4	Very low	70.6	Confident	157 Å²	157	44.7 Å²	44.7	73%	0.734	23%	0.234	S	C	*	.	S	Bend	trans	-62.8	-13.6	-179.2	-72.8	174.7	-1.3	0	0	114.3
45	N	56.4	Low	70.5	Confident	70 Å²	70	39.7 Å²	39.7	37%	0.374	22%	0.215	S	C	.	.			trans	-111.4	81.6	177.8	-91.3	-26.1	0	0	0	111.7	M43 A47 L48	M43-N45 PolarHBondContact O-N 2.91Å; M43-N45 VanDerWaalsContact O-N 3.09Å; N45-A47 PolarHBondContact O-N 2.67Å; N45-L48 HydrophobicContact CB-CD1 3.99Å; N45-L48 HydrophobicContact CB-CG 4.16Å; N45-L48 PolarHBondContact O-N 2.85Å
46	A	55.9	Low	70.5	Confident	41 Å²	41	39.6 Å²	39.6	34%	0.339	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-54.6	-25.6	176.8	0	0	0	0	0	113.5	L48 Y49	A46-L48 PolarHBondContact O-N 2.87Å; A46-Y49 WeakPolarHBondContact O-CB 3.48Å; A46-Y49 PolarHBondContact O-N 3.05Å; A46-Y49 VanDerWaalsContact O-N 3.08Å
47	A	57.4	Low	71.1	Confident	18 Å²	18	35.2 Å²	35.2	15%	0.149	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26.3	177.4	0	0	0	0	0	114.1	N45 Y49 G50 H212 F216 A233	N45-A47 PolarHBondContact O-N 2.67Å; A47-Y49 PolarHBondContact O-N 3.31Å; A47-G50 PolarHBondContact O-N 2.86Å; A47-H212 PolarHBondContact O-NE2 3.34Å; A47-F216 HydrophobicContact CB-CD2 4.42Å; A47-F216 HydrophobicContact CB-CE1 4.16Å; A47-F216 HydrophobicContact CB-CE2 3.6Å; A47-F216 HydrophobicContact CB-CZ 3.44Å; A47-F216 VanDerWaalsContact CB-CZ 3.44Å; A47-A233 WeakPolarHBondContact CB-O 3.42Å
48	L	59	Low	72.1	Confident	22 Å²	22	32.1 Å²	32.1	12%	0.115	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-74.8	-11.2	177.3	-63.4	174.7	0	0	0	112.9	N45 A46 G50 N213 F216	N45-L48 HydrophobicContact CB-CD1 3.99Å; N45-L48 HydrophobicContact CB-CG 4.16Å; N45-L48 PolarHBondContact O-N 2.85Å; A46-L48 PolarHBondContact O-N 2.87Å; L48-G50 VanDerWaalsContact C-N 3.29Å; L48-N213 HydrophobicContact CD2-CB 4.43Å; L48-N213 WeakPolarHBondContact CD2-OD1 3.28Å; L48-N213 PolarHBondContact O-OD1 3.08Å; L48-F216 HydrophobicContact CD2-CD1 4.33Å
49	Y	71.7	Confident	73.6	Confident	10 Å²	10	30.1 Å²	30.1	4%	0.039	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-81.9	-6.7	175.1	-68	-64.8	0	0	0	113.8	L39 P40 M43 A46 A47 G51 Q52 L53 L84	L39-Y49 HydrophobicContact CD2-CD1 3.76Å; L39-Y49 HydrophobicContact CD2-CE1 4.41Å; L39-Y49 HydrophobicContact CD2-CG 3.96Å; P40-Y49 WeakPolarHBondContact CB-OH 3.43Å; P40-Y49 VanDerWaalsContact CD-OH 3.27Å; P40-Y49 WeakPolarHBondContact CD-OH 3.36Å; P40-Y49 HydrophobicContact CG-CE1 3.98Å; P40-Y49 WeakPolarHBondContact CG-OH 3.35Å; P40-Y49 PolarHBondContact O-OH 2.96Å; M43-Y49 HydrophobicContact CB-CE2 3.96Å; M43-Y49 WeakPolarHBondContact CB-OH 3.25Å; M43-Y49 HydrophobicContact CE-CE1 4.1Å; M43-Y49 VanDerWaalsContact CE-OH 3.25Å; M43-Y49 WeakPolarHBondContact CE-OH 3.2Å; M43-Y49 HydrophobicContact SD-CE1 4.23Å; A46-Y49 WeakPolarHBondContact O-CB 3.48Å; A46-Y49 PolarHBondContact O-N 3.05Å; A46-Y49 VanDerWaalsContact O-N 3.08Å; A47-Y49 PolarHBondContact O-N 3.31Å; Y49-G51 VanDerWaalsContact C-N 3.27Å; Y49-G51 PolarHBondContact O-N 3.41Å; Y49-Q52 HydrophobicContact CD1-CB 4.5Å; Y49-Q52 PolarHBondContact O-N 3.23Å; Y49-L53 WeakPolarHBondContact O-CG 3.04Å; Y49-L53 PolarHBondContact O-N 3.47Å; Y49-L84 HydrophobicContact CD2-CD2 3.82Å; Y49-L84 HydrophobicContact CE2-CD2 3.58Å
50	G	84.7	Confident	75.3	Confident	6 Å²	6	29.9 Å²	29.9	6%	0.062	16%	0.163	C	C	.	.	H	α-helix	trans	-55.1	-46.4	175.1	0	0	0	0	0	111.4	A47 L48 Q52 L53 V54 F78	A47-G50 PolarHBondContact O-N 2.86Å; L48-G50 VanDerWaalsContact C-N 3.29Å; G50-Q52 VanDerWaalsContact C-N 3.3Å; G50-Q52 PolarHBondContact O-N 2.89Å; G50-L53 WeakPolarHBondContact O-CB 3.47Å; G50-L53 PolarHBondContact O-N 2.98Å; G50-V54 VanDerWaalsContact O-CG2 3.28Å; G50-V54 WeakPolarHBondContact O-CG2 3.15Å; G50-V54 PolarHBondContact O-N 2.94Å; G50-F78 VanDerWaalsContact CA-CE1 3.46Å
51	G	88	Confident	77.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-34	176	0	0	0	0	0	114.2	Y49 S55 H212	Y49-G51 VanDerWaalsContact C-N 3.27Å; Y49-G51 PolarHBondContact O-N 3.41Å; G51-S55 WeakPolarHBondContact O-CB 3.19Å; G51-S55 PolarHBondContact O-N 3.31Å; G51-S55 PolarHBondContact O-OG 2.8Å; G51-H212 PolarHBondContact N-CD2 3.41Å; G51-H212 VanDerWaalsContact N-CD2 3.25Å; G51-H212 VanDerWaalsContact N-CG 3.33Å
52	Q	87.4	Confident	79.4	Confident	7 Å²	7	21.2 Å²	21.2	3%	0.033	12%	0.119	C	C	.	.	H	α-helix	trans	-69.9	-44.2	174.7	-179.4	-179.1	-26.1	0	0	111.4	V21 L22 L39 Y49 G50 V54 S55 Q56	V21-Q52 VanDerWaalsContact CG1-CD 3.41Å; V21-Q52 HydrophobicContact CG1-CG 4.21Å; L22-Q52 HydrophobicContact CD2-CB 4.42Å; L22-Q52 HydrophobicContact CD2-CG 4.2Å; L39-Q52 HydrophobicContact CD2-CG 4.41Å; Y49-Q52 HydrophobicContact CD1-CB 4.5Å; Y49-Q52 PolarHBondContact O-N 3.23Å; G50-Q52 VanDerWaalsContact C-N 3.3Å; G50-Q52 PolarHBondContact O-N 2.89Å; Q52-V54 VanDerWaalsContact C-N 3.29Å; Q52-V54 PolarHBondContact O-N 2.78Å; Q52-S55 PolarHBondContact O-N 3.1Å; Q52-Q56 HydrophobicContact CG-CG 4.45Å; Q52-Q56 VanDerWaalsContact NE2-NE2 3.2Å; Q52-Q56 WeakPolarHBondContact O-CB 3.37Å; Q52-Q56 WeakPolarHBondContact O-CG 3.49Å; Q52-Q56 PolarHBondContact O-N 3.15Å
53	L	91.5	Very high	81.6	Confident	8 Å²	8	21.7 Å²	21.7	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-43.6	176.1	-70.3	168.4	0	0	0	111.1	L39 Y49 G50 A57 A82 V88 I115 L116	L39-L53 HydrophobicContact CD1-CD2 4.49Å; Y49-L53 WeakPolarHBondContact O-CG 3.04Å; Y49-L53 PolarHBondContact O-N 3.47Å; G50-L53 WeakPolarHBondContact O-CB 3.47Å; G50-L53 PolarHBondContact O-N 2.98Å; L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.32Å; L53-A57 PolarHBondContact O-N 3.31Å; L53-A82 HydrophobicContact CD1-CB 3.9Å; L53-A82 HydrophobicContact CD2-CB 4.43Å; L53-V88 HydrophobicContact CD2-CG1 4.39Å; L53-V88 HydrophobicContact CD2-CG2 3.78Å; L53-I115 HydrophobicContact CD1-CD1 4.34Å; L53-I115 HydrophobicContact CD2-CD1 3.92Å; L53-L116 HydrophobicContact CB-CD2 4.24Å
54	V	94.6	Very high	83.8	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-49.2	175.8	173.9	0	0	0	0	110.6	G50 Q52 Q56 A57 M58 I74 C76 F78 L116	G50-V54 VanDerWaalsContact O-CG2 3.28Å; G50-V54 WeakPolarHBondContact O-CG2 3.15Å; G50-V54 PolarHBondContact O-N 2.94Å; Q52-V54 VanDerWaalsContact C-N 3.29Å; Q52-V54 PolarHBondContact O-N 2.78Å; V54-Q56 PolarHBondContact O-N 2.79Å; V54-A57 WeakPolarHBondContact O-CB 3.02Å; V54-A57 PolarHBondContact O-N 2.73Å; V54-M58 HydrophobicContact CG1-CG 4.49Å; V54-M58 HydrophobicContact CG1-SD 3.85Å; V54-M58 VanDerWaalsContact O-CG 3.24Å; V54-M58 WeakPolarHBondContact O-CG 3.43Å; V54-M58 PolarHBondContact O-N 3.35Å; V54-I74 HydrophobicContact CG1-CD1 3.79Å; V54-C76 VanDerWaalsContact CG2-SG 3.56Å; V54-F78 HydrophobicContact CG2-CE1 4.06Å; V54-F78 HydrophobicContact CG2-CZ 3.7Å; V54-L116 HydrophobicContact CG2-CD2 4.49Å
55	S	93.3	Very high	86.1	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58	-45.8	178.5	-62.1	0	0	0	0	112.7	G51 Q52 M58 M59 C205	G51-S55 WeakPolarHBondContact O-CB 3.19Å; G51-S55 PolarHBondContact O-N 3.31Å; G51-S55 PolarHBondContact O-OG 2.8Å; Q52-S55 PolarHBondContact O-N 3.1Å; S55-M58 WeakPolarHBondContact O-CB 3.37Å; S55-M58 PolarHBondContact O-N 3.49Å; S55-M59 WeakPolarHBondContact O-CG 3.28Å; S55-M59 PolarHBondContact O-N 3.46Å; S55-C205 PolarHBondContact OG-O 3.42Å
56	Q	93.9	Very high	87.9	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.3	-38.2	178.2	-73.2	-178.5	-7	0	0	111.8	V21 V25 S35 Q52 V54 M58 M59 A60 Y90	V21-Q56 PolarHBondContact O-NE2 3.36Å; V25-Q56 HydrophobicContact CG1-CB 3.77Å; V25-Q56 HydrophobicContact CG1-CG 4.09Å; S35-Q56 VanDerWaalsContact CB-OE1 3.3Å; Q52-Q56 HydrophobicContact CG-CG 4.45Å; Q52-Q56 VanDerWaalsContact NE2-NE2 3.2Å; Q52-Q56 WeakPolarHBondContact O-CB 3.37Å; Q52-Q56 WeakPolarHBondContact O-CG 3.49Å; Q52-Q56 PolarHBondContact O-N 3.15Å; V54-Q56 PolarHBondContact O-N 2.79Å; Q56-M58 VanDerWaalsContact C-N 3.31Å; Q56-M58 PolarHBondContact O-N 2.82Å; Q56-M59 PolarHBondContact O-N 2.84Å; Q56-A60 WeakPolarHBondContact O-CB 3.48Å; Q56-A60 PolarHBondContact O-N 2.6Å; Q56-Y90 HydrophobicContact CB-CE1 4.29Å; Q56-Y90 HydrophobicContact CB-CE2 3.84Å; Q56-Y90 WeakPolarHBondContact CB-OH 3.42Å; Q56-Y90 PolarHBondContact OE1-OH 3.26Å
57	A	96.5	Very high	89.7	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-38.5	173.4	0	0	0	0	0	111.9	L53 V54 C61 Y90 V106 L116	L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.32Å; L53-A57 PolarHBondContact O-N 3.31Å; V54-A57 WeakPolarHBondContact O-CB 3.02Å; V54-A57 PolarHBondContact O-N 2.73Å; A57-C61 PolarHBondContact O-N 3.07Å; A57-C61 PolarHBondContact O-SG 2.84Å; A57-Y90 HydrophobicContact CB-CD1 3.89Å; A57-Y90 HydrophobicContact CB-CE1 3.83Å; A57-V106 HydrophobicContact CB-CG1 3.98Å; A57-V106 HydrophobicContact CB-CG2 4.41Å; A57-L116 HydrophobicContact CB-CD2 4.05Å
58	M	97.6	Very high	91.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.4	-52	173	-68.5	160.3	53.8	0	0	111.3	V54 S55 Q56 A60 C61 M62 M71 I74 L120 Q204 C205 S208 F242	V54-M58 HydrophobicContact CG1-CG 4.49Å; V54-M58 HydrophobicContact CG1-SD 3.85Å; V54-M58 VanDerWaalsContact O-CG 3.24Å; V54-M58 WeakPolarHBondContact O-CG 3.43Å; V54-M58 PolarHBondContact O-N 3.35Å; S55-M58 WeakPolarHBondContact O-CB 3.37Å; S55-M58 PolarHBondContact O-N 3.49Å; Q56-M58 VanDerWaalsContact C-N 3.31Å; Q56-M58 PolarHBondContact O-N 2.82Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 3.45Å; M58-C61 PolarHBondContact O-N 2.9Å; M58-C61 VanDerWaalsContact O-N 3.16Å; M58-M62 HydrophobicContact CB-CE 4.24Å; M58-M62 HydrophobicContact CE-CE 4.15Å; M58-M62 WeakPolarHBondContact O-CB 3.45Å; M58-M62 VanDerWaalsContact O-CG 3.25Å; M58-M62 WeakPolarHBondContact O-CG 3.47Å; M58-M62 PolarHBondContact O-N 2.86Å; M58-M71 HydrophobicContact CB-SD 4.39Å; M58-M71 HydrophobicContact CE-CE 3.33Å; M58-M71 HydrophobicContact CE-SD 4.03Å; M58-M71 HydrophobicContact CG-SD 4Å; M58-M71 HydrophobicContact SD-CE 4.47Å; M58-I74 HydrophobicContact CG-CD1 3.54Å; M58-I74 HydrophobicContact SD-CD1 4.22Å; M58-L120 HydrophobicContact CB-CD2 4.28Å; M58-L120 HydrophobicContact CG-CD2 3.97Å; M58-Q204 HydrophobicContact CE-CB 4.03Å; M58-Q204 WeakPolarHBondContact CE-O 3.39Å; M58-C205 HydrophobicContact CE-CB 4.49Å; M58-S208 VanDerWaalsContact SD-CB 3.59Å; M58-S208 PolarHBondContact SD-OG 3.34Å; M58-F242 HydrophobicContact CE-CZ 4.22Å
59	M	96.3	Very high	93.2	Very high	14 Å²	14	21.9 Å²	21.9	7%	0.069	11%	0.111	C	C	.	.	H	α-helix	trans	-58.8	-41.9	178.7	-72.9	-62.5	-55.6	0	0	112.4	V25 S55 Q56 M62 N63 R201 C205	V25-M59 HydrophobicContact CG2-CB 3.78Å; S55-M59 WeakPolarHBondContact O-CG 3.28Å; S55-M59 PolarHBondContact O-N 3.46Å; Q56-M59 PolarHBondContact O-N 2.84Å; M59-M62 PolarHBondContact O-N 3.12Å; M59-M62 HydrophobicContact SD-SD 4.09Å; M59-N63 PolarHBondContact O-N 3.37Å; M59-N63 PolarHBondContact O-ND2 2.95Å; M59-R201 HydrophobicContact SD-CB 4.36Å; M59-C205 WeakPolarHBondContact CG-SG 3.45Å; M59-C205 VanDerWaalsContact SD-SG 3.61Å
60	A	97.3	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-44.6	176.9	0	0	0	0	0	111.6	V25 F33 Q56 M58 N63 Y90 I92	V25-A60 HydrophobicContact CG2-CB 4.38Å; F33-A60 HydrophobicContact CB-CB 3.9Å; F33-A60 HydrophobicContact CD1-CB 4.41Å; F33-A60 HydrophobicContact CD2-CB 3.84Å; F33-A60 HydrophobicContact CE2-CB 4.48Å; F33-A60 WeakPolarHBondContact CE2-O 3.26Å; F33-A60 HydrophobicContact CG-CB 3.8Å; Q56-A60 WeakPolarHBondContact O-CB 3.48Å; Q56-A60 PolarHBondContact O-N 2.6Å; M58-A60 VanDerWaalsContact C-N 3.31Å; M58-A60 PolarHBondContact O-N 3.45Å; A60-N63 PolarHBondContact O-N 2.86Å; A60-Y90 HydrophobicContact CB-CG 4.32Å; A60-I92 HydrophobicContact CB-CD1 3.91Å; A60-I92 HydrophobicContact CB-CG1 4.49Å
61	C	98.1	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66	-44.1	175.5	-71.8	0	0	0	0	112.9	A57 M58 N63 T64 R104 L120 F122	A57-C61 PolarHBondContact O-N 3.07Å; A57-C61 PolarHBondContact O-SG 2.84Å; M58-C61 PolarHBondContact O-N 2.9Å; M58-C61 VanDerWaalsContact O-N 3.16Å; C61-N63 PolarHBondContact O-N 3.36Å; C61-T64 PolarHBondContact O-N 3.07Å; C61-T64 PolarHBondContact O-OG1 3.3Å; C61-R104 HydrophobicContact CB-CB 4.13Å; C61-R104 HydrophobicContact CB-CG 4.34Å; C61-L120 HydrophobicContact CB-CD1 4.43Å; C61-L120 HydrophobicContact CB-CD2 3.79Å; C61-F122 HydrophobicContact CB-CE2 4.5Å; C61-F122 HydrophobicContact CB-CZ 3.93Å
62	M	97	Very high	95.3	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.03	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-37.4	176.8	-74.2	170.8	-177.9	0	0	111.4	M58 M59 T64 V65 M71 F122 R201 Q204	M58-M62 HydrophobicContact CB-CE 4.24Å; M58-M62 HydrophobicContact CE-CE 4.15Å; M58-M62 WeakPolarHBondContact O-CB 3.45Å; M58-M62 VanDerWaalsContact O-CG 3.25Å; M58-M62 WeakPolarHBondContact O-CG 3.47Å; M58-M62 PolarHBondContact O-N 2.86Å; M59-M62 PolarHBondContact O-N 3.12Å; M59-M62 HydrophobicContact SD-SD 4.09Å; M62-T64 PolarHBondContact O-N 3.33Å; M62-T64 VanDerWaalsContact O-N 3.1Å; M62-V65 WeakPolarHBondContact O-CG2 3.42Å; M62-V65 PolarHBondContact O-N 3.32Å; M62-M71 HydrophobicContact CE-CB 3.92Å; M62-M71 HydrophobicContact CE-CE 3.54Å; M62-M71 HydrophobicContact CE-CG 4.46Å; M62-M71 HydrophobicContact CE-SD 3.71Å; M62-F122 HydrophobicContact CG-CE1 3.93Å; M62-R201 HydrophobicContact CE-CB 4.44Å; M62-R201 HydrophobicContact SD-CB 3.61Å; M62-R201 HydrophobicContact SD-CG 3.66Å; M62-Q204 HydrophobicContact CE-CB 4.27Å; M62-Q204 VanDerWaalsContact CE-OE1 3.28Å
63	N	96.4	Very high	95.8	Very high	58 Å²	58	25.7 Å²	25.7	31%	0.31	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	1.3	175.3	-75.5	-31.5	0	0	0	114.7	R27 F33 M59 A60 C61	R27-N63 PolarHBondContact NH2-O 2.85Å; F33-N63 HydrophobicContact CE1-CB 3.64Å; F33-N63 HydrophobicContact CZ-CB 3.61Å; M59-N63 PolarHBondContact O-N 3.37Å; M59-N63 PolarHBondContact O-ND2 2.95Å; A60-N63 PolarHBondContact O-N 2.86Å; C61-N63 PolarHBondContact O-N 3.36Å
64	T	97.5	Very high	96.2	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.043	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	0.6	176.1	71.7	0	0	0	0	113.8	F33 C61 M62 I92 R104	F33-T64 HydrophobicContact CE2-CG2 3.7Å; F33-T64 HydrophobicContact CZ-CG2 4.02Å; C61-T64 PolarHBondContact O-N 3.07Å; C61-T64 PolarHBondContact O-OG1 3.3Å; M62-T64 PolarHBondContact O-N 3.33Å; M62-T64 VanDerWaalsContact O-N 3.1Å; T64-I92 HydrophobicContact CG2-CB 4.34Å; T64-I92 HydrophobicContact CG2-CG1 4.46Å; T64-I92 HydrophobicContact CG2-CG2 3.95Å; T64-R104 PolarHBondContact O-NH2 3.18Å; T64-R104 WeakPolarHBondContact OG1-CD 3.37Å; T64-R104 PolarHBondContact OG1-NE 3.14Å
65	V	97.1	Very high	96.4	Very high	15 Å²	15	29.7 Å²	29.7	9%	0.091	15%	0.147	C	C	.	.	S	Bend	trans	-112.2	152.5	173.7	-67.2	0	0	0	0	109.6	M62 L69 R104 F122	M62-V65 WeakPolarHBondContact O-CG2 3.42Å; M62-V65 PolarHBondContact O-N 3.32Å; V65-L69 HydrophobicContact CB-CD1 4.36Å; V65-R104 HydrophobicContact CG1-CG 4.16Å; V65-F122 HydrophobicContact CG1-CD1 4.37Å; V65-F122 HydrophobicContact CG1-CD2 3.93Å; V65-F122 HydrophobicContact CG1-CE2 4.16Å; V65-F122 HydrophobicContact CG1-CG 4.07Å; V65-F122 HydrophobicContact CG1-CZ 4.48Å; V65-F122 HydrophobicContact CG2-CD1 3.81Å; V65-F122 HydrophobicContact CG2-CE1 3.87Å; V65-F122 HydrophobicContact CG2-CG 4.29Å; V65-F122 HydrophobicContact CG2-CZ 4.42Å
66	P	95.5	Very high	96.6	Very high	54 Å²	54	29.9 Å²	29.9	35%	0.351	15%	0.148	S	C	.	.			trans	-60.5	146.7	171.5	-23.2	34.2	0	0	0	112.4	W68 L69	P66-W68 VanDerWaalsContact CB-CD1 3.5Å; P66-W68 HydrophobicContact CB-CD2 4.22Å; P66-W68 HydrophobicContact CB-CG 4.16Å; P66-W68 HydrophobicContact CB-CZ2 4.14Å; P66-W68 HydrophobicContact CG-CZ2 4Å; P66-W68 PolarHBondContact O-N 2.92Å; P66-L69 WeakPolarHBondContact O-CB 3.22Å; P66-L69 PolarHBondContact O-N 3.11Å
67	D	93.4	Very high	96.8	Very high	130 Å²	130	32.6 Å²	32.6	70%	0.695	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.8	-176.7	-65.9	-44	0	0	0	114.6	L69 R201	D67-L69 VanDerWaalsContact C-N 3.27Å; D67-R201 IonicContact OD1-CZ 3.36Å; D67-R201 IonicContact OD1-NH1 3.8Å; D67-R201 PolarHBondContact OD1-NH1 2.88Å; D67-R201 IonicContact OD1-NH2 3.98Å
68	W	93	Very high	96.7	Very high	133 Å²	133	34.1 Å²	34.1	50%	0.504	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.6	175.8	58.2	-99	0	0	0	113.6	P66 K124	P66-W68 VanDerWaalsContact CB-CD1 3.5Å; P66-W68 HydrophobicContact CB-CD2 4.22Å; P66-W68 HydrophobicContact CB-CG 4.16Å; P66-W68 HydrophobicContact CB-CZ2 4.14Å; P66-W68 HydrophobicContact CG-CZ2 4Å; P66-W68 PolarHBondContact O-N 2.92Å; W68-K124 HydrophobicContact CE3-CB 4.09Å; W68-K124 HydrophobicContact CE3-CD 4.41Å; W68-K124 HydrophobicContact CE3-CG 3.88Å; W68-K124 HydrophobicContact CZ3-CB 3.94Å; W68-K124 HydrophobicContact CZ3-CD 4.42Å; W68-K124 HydrophobicContact CZ3-CG 4.11Å
69	L	95.6	Very high	96.5	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.058	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.1	170.7	-72	-177.5	0	0	0	109.9	V65 P66 D67 S102 F122 H123 K124	V65-L69 HydrophobicContact CB-CD1 4.36Å; P66-L69 WeakPolarHBondContact O-CB 3.22Å; P66-L69 PolarHBondContact O-N 3.11Å; D67-L69 VanDerWaalsContact C-N 3.27Å; L69-S102 VanDerWaalsContact CD1-OG 3.29Å; L69-S102 WeakPolarHBondContact CD1-OG 3.4Å; L69-F122 HydrophobicContact CB-CB 4.09Å; L69-F122 HydrophobicContact CD1-CB 4.43Å; L69-H123 WeakPolarHBondContact CA-O 3.49Å; L69-K124 HydrophobicContact CD2-CB 4.23Å; L69-K124 VanDerWaalsContact CD2-N 3.25Å
70	Q	95.6	Very high	96.3	Very high	46 Å²	46	44 Å²	44	22%	0.215	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.9	175.7	-65.9	173.5	-1.8	0	0	109.8	F122 H123 L200	Q70-F122 CarbonylContact O-C 3.47Å; Q70-F122 WeakPolarHBondContact O-CA 3.29Å; Q70-H123 PolarHBondContact N-O 3.4Å; Q70-H123 PolarHBondContact O-N 3.32Å; Q70-L200 HydrophobicContact CG-CD2 4.16Å
71	M	97.4	Very high	95.7	Very high	4 Å²	4	49 Å²	49	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.5	173	-173.3	-170.5	61	0	0	109.1	M58 M62 L120 F122 Q204 F242	M58-M71 HydrophobicContact CB-SD 4.39Å; M58-M71 HydrophobicContact CE-CE 3.33Å; M58-M71 HydrophobicContact CE-SD 4.03Å; M58-M71 HydrophobicContact CG-SD 4Å; M58-M71 HydrophobicContact SD-CE 4.47Å; M62-M71 HydrophobicContact CE-CB 3.92Å; M62-M71 HydrophobicContact CE-CE 3.54Å; M62-M71 HydrophobicContact CE-CG 4.46Å; M62-M71 HydrophobicContact CE-SD 3.71Å; M71-L120 HydrophobicContact SD-CD2 3.75Å; M71-F122 HydrophobicContact CB-CD1 3.7Å; M71-F122 HydrophobicContact CB-CE1 3.63Å; M71-F122 HydrophobicContact CG-CD1 4.26Å; M71-F122 HydrophobicContact CG-CE1 3.96Å; M71-F122 HydrophobicContact CG-CZ 4.39Å; M71-Q204 HydrophobicContact CE-CB 3.87Å; M71-Q204 HydrophobicContact CE-CG 4.27Å; M71-Q204 PolarHBondContact O-NE2 3.12Å; M71-F242 HydrophobicContact CE-CD2 3.55Å; M71-F242 HydrophobicContact CE-CE1 4.41Å; M71-F242 HydrophobicContact CE-CE2 3.09Å; M71-F242 HydrophobicContact CE-CG 4.38Å; M71-F242 HydrophobicContact CE-CZ 3.59Å; M71-F242 HydrophobicContact SD-CE2 4.34Å
72	H	97	Very high	95.2	Very high	43 Å²	43	49.9 Å²	49.9	20%	0.199	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-14.4	176.7	69.4	86	0	0	0	113.6	S121 H123 W241 F242	H72-S121 VanDerWaalsContact CD2-C 3.47Å; H72-S121 PolarHBondContact CD2-O 2.86Å; H72-S121 VanDerWaalsContact CD2-O 3.23Å; H72-S121 PolarHBondContact CE1-OG 3.27Å; H72-S121 PolarHBondContact N-O 2.74Å; H72-S121 WeakPolarHBondContact NE2-CB 3.48Å; H72-S121 PolarHBondContact NE2-OG 3.13Å; H72-H123 VanDerWaalsContact CB-CD2 3.48Å; H72-H123 WeakPolarHBondContact CB-CD2 3.48Å; H72-H123 AromaticContact CD2-CD2 3.41Å; H72-H123 PolarHBondContact CD2-CD2 2.95Å; H72-H123 VanDerWaalsContact CD2-CD2 3.41Å; H72-H123 AromaticContact CD2-CG 3.97Å; H72-H123 AromaticContact CG-CD2 3.7Å; H72-W241 CarbonylContact O-C 3.57Å; H72-W241 WeakPolarHBondContact O-CA 3.38Å; H72-F242 PolarHBondContact O-N 2.82Å
73	S	98.3	Very high	94.6	Very high	10 Å²	10	52 Å²	52	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	148.4	173.7	63.9	0	0	0	0	112.6	L120 S121 D240	S73-L120 WeakPolarHBondContact O-CA 3.25Å; S73-S121 PolarHBondContact N-O 2.94Å; S73-S121 PolarHBondContact O-N 3.5Å; S73-D240 CarbonylContact C-O 3.57Å; S73-D240 VanDerWaalsContact CA-O 3.23Å; S73-D240 WeakPolarHBondContact CA-O 3.44Å
74	I	98.6	Very high	93.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.9	166.3	178.8	164.3	0	0	0	109.2	V54 M58 A118 C119 L120 C239 D240 F242	V54-I74 HydrophobicContact CG1-CD1 3.79Å; M58-I74 HydrophobicContact CG-CD1 3.54Å; M58-I74 HydrophobicContact SD-CD1 4.22Å; I74-A118 HydrophobicContact CD1-CB 4.22Å; I74-A118 HydrophobicContact CG1-CB 4.33Å; I74-C119 WeakPolarHBondContact CA-O 3.24Å; I74-L120 HydrophobicContact CB-CG 4.06Å; I74-L120 HydrophobicContact CD1-CD1 3.96Å; I74-L120 HydrophobicContact CD1-CD2 4.01Å; I74-L120 HydrophobicContact CD1-CG 3.86Å; I74-L120 HydrophobicContact CG1-CD1 4.16Å; I74-L120 HydrophobicContact CG1-CD2 4.47Å; I74-L120 HydrophobicContact CG1-CG 3.88Å; I74-C239 VanDerWaalsContact O-CA 3.27Å; I74-C239 WeakPolarHBondContact O-CA 3.37Å; I74-D240 HydrophobicContact CG2-CB 3.89Å; I74-D240 PolarHBondContact N-O 2.93Å; I74-D240 PolarHBondContact O-N 3.01Å; I74-F242 HydrophobicContact CG2-CE2 4.35Å
75	Q	98.6	Very high	93	Very high	92 Å²	92	53.3 Å²	53.3	43%	0.43	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.4	170.8	-65.6	152.6	5.8	0	0	107.2	A118 C119 C239	Q75-A118 CarbonylContact O-C 3.59Å; Q75-A118 WeakPolarHBondContact O-CA 3.36Å; Q75-C119 PolarHBondContact N-O 3.02Å; Q75-C119 PolarHBondContact O-N 3.28Å; Q75-C239 HydrophobicContact CG-CB 4.42Å
76	C	97.5	Very high	92.3	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.034	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.4	-178.8	68.6	0	0	0	0	113.4	V54 L116 L117 A118 D237 H238	V54-C76 VanDerWaalsContact CG2-SG 3.56Å; C76-L116 HydrophobicContact CB-CD1 3.85Å; C76-L117 CarbonylContact C-O 3.52Å; C76-L117 VanDerWaalsContact CA-O 3.23Å; C76-L117 WeakPolarHBondContact CA-O 3.44Å; C76-L117 WeakPolarHBondContact CB-O 3.32Å; C76-A118 HydrophobicContact CB-CB 3.53Å; C76-D237 CarbonylContact O-C 3.57Å; C76-D237 WeakPolarHBondContact O-CA 3.27Å; C76-D237 VanDerWaalsContact O-CB 3.24Å; C76-D237 WeakPolarHBondContact O-CB 3.28Å; C76-H238 PolarHBondContact N-O 2.92Å; C76-H238 PolarHBondContact O-N 3.28Å; C76-H238 PolarHBondContact SG-O 3.38Å
77	S	97.7	Very high	92.1	Very high	56 Å²	56	55.4 Å²	55.4	39%	0.392	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.3	175.1	-55.8	0	0	0	0	109.1	L79 L117	S77-L79 PolarHBondContact O-N 2.82Å; S77-L117 PolarHBondContact N-O 3.01Å; S77-L117 PolarHBondContact O-N 3.31Å
78	F	95.2	Very high	92.1	Very high	32 Å²	32	49.3 Å²	49.3	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.9	173.9	-61.6	-80.1	0	0	0	108.6	G50 V54 L116 H212 A235 T236 H238	G50-F78 VanDerWaalsContact CA-CE1 3.46Å; V54-F78 HydrophobicContact CG2-CE1 4.06Å; V54-F78 HydrophobicContact CG2-CZ 3.7Å; F78-L116 HydrophobicContact CD1-CD1 3.64Å; F78-L116 HydrophobicContact CE1-CD1 3.69Å; F78-L116 HydrophobicContact CG-CD1 4.24Å; F78-L116 HydrophobicContact CZ-CD1 4.35Å; F78-H212 AromaticContact CE2-CE1 3.91Å; F78-H212 AromaticContact CE2-ND1 3.98Å; F78-H212 AromaticContact CZ-CE1 3.68Å; F78-H212 AromaticContact CZ-ND1 3.71Å; F78-A235 WeakPolarHBondContact CB-O 3.4Å; F78-A235 HydrophobicContact CD2-CB 3.75Å; F78-A235 WeakPolarHBondContact CD2-O 3.23Å; F78-A235 HydrophobicContact CE2-CB 3.71Å; F78-T236 PolarHBondContact N-O 2.97Å; F78-H238 HydrophobicContact CE2-CB 3.79Å; F78-H238 HydrophobicContact CZ-CB 4.28Å
79	L	94.2	Very high	92.3	Very high	99 Å²	99	46 Å²	46	52%	0.518	25%	0.245	S	C	.	.			trans	-95.2	-29.9	-173.5	-55.3	-176.3	0	0	0	112.3	S77 C114 I115 L117	S77-L79 PolarHBondContact O-N 2.82Å; L79-C114 HydrophobicContact CD1-CB 4.14Å; L79-I115 PolarHBondContact N-O 2.48Å; L79-L117 HydrophobicContact CD1-CB 4.26Å
80	K	90.6	Very high	92.4	Very high	124 Å²	124	45.4 Å²	45.4	54%	0.539	24%	0.242	S	C	.	.	S	Bend	trans	-156.3	149	-179	-171.9	179.4	178.9	-176.1	0	109.9	A82 I115	K80-A82 PolarHBondContact O-N 2.87Å; K80-I115 HydrophobicContact CB-CG2 4.21Å; K80-I115 PolarHBondContact N-O 2.79Å
81	R	86.4	Confident	92.6	Very high	105 Å²	105	47.1 Å²	47.1	40%	0.396	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-58.3	133.7	170.2	-70.4	-177.9	174.1	-175.5	-13.4	110.7	S232 I234 E291	R81-S232 PolarHBondContact NH2-OG 2.97Å; R81-I234 HydrophobicContact CG-CG2 4.3Å; R81-E291 IonicContact CZ-OE1 2.64Å; R81-E291 IonicContact CZ-OE2 3.08Å; R81-E291 VanDerWaalsContact NE-CD 3.35Å; R81-E291 IonicContact NE-OE1 2.75Å; R81-E291 PolarHBondContact NE-OE1 3.47Å; R81-E291 IonicContact NE-OE2 3.26Å; R81-E291 PolarHBondContact NE-OE2 3.21Å; R81-E291 IonicContact NH1-OE1 2.7Å; R81-E291 IonicContact NH1-OE2 3.09Å; R81-E291 PolarHBondContact NH1-OE2 3.11Å; R81-E291 IonicContact NH2-OE1 3.82Å; R81-E291 PolarHBondContact NH2-OE1 3.37Å; R81-E291 VanDerWaalsContact NH2-OE1 3.16Å; R81-E291 IonicContact NH2-OE2 2.67Å; R81-E291 PolarHBondContact NH2-OE2 3.26Å
82	A	86.9	Confident	92.6	Very high	18 Å²	18	47.5 Å²	47.5	15%	0.149	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-72.3	140.8	171.8	0	0	0	0	0	110.8	L39 L53 K80 I115	L39-A82 HydrophobicContact CD1-CB 3.39Å; L53-A82 HydrophobicContact CD1-CB 3.9Å; L53-A82 HydrophobicContact CD2-CB 4.43Å; K80-A82 PolarHBondContact O-N 2.87Å; A82-I115 HydrophobicContact CB-CD1 3.81Å
83	S	85.1	Confident	92.7	Very high	51 Å²	51	50.8 Å²	50.8	36%	0.357	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-74.4	127.9	170.5	-62.2	0	0	0	0	109.7	Q86 Q110	S83-Q86 PolarHBondContact OG-OE1 3.4Å; S83-Q110 PolarHBondContact O-NE2 3.48Å
84	L	79.1	Confident	92.7	Very high	59 Å²	59	55.8 Å²	55.8	31%	0.309	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	151	170.7	-55.3	-179.1	0	0	0	110.2	L39 Y49 Q86	L39-L84 HydrophobicContact CB-CD2 3.74Å; L39-L84 HydrophobicContact CD1-CD2 4.44Å; Y49-L84 HydrophobicContact CD2-CD2 3.82Å; Y49-L84 HydrophobicContact CE2-CD2 3.58Å; L84-Q86 PolarHBondContact O-N 2.96Å; L84-Q86 VanDerWaalsContact O-N 3.16Å
85	G	79.5	Confident	92.7	Very high	33 Å²	33	59.3 Å²	59.3	34%	0.34	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	-4.9	179.6	0	0	0	0	0	115.5	P38 L39	P38-G85 VanDerWaalsContact CB-C 3.46Å; P38-G85 WeakPolarHBondContact CB-O 3.45Å; L39-G85 PolarHBondContact O-N 3.41Å
86	Q	84.1	Confident	92.7	Very high	65 Å²	65	61.7 Å²	61.7	30%	0.304	31%	0.308	S	S	.	.	S	Bend	trans	-105.9	141.5	174.9	-69.2	-175.8	-20.5	0	0	111.8	S83 L84 Q110 D111	S83-Q86 PolarHBondContact OG-OE1 3.4Å; L84-Q86 PolarHBondContact O-N 2.96Å; L84-Q86 VanDerWaalsContact O-N 3.16Å; Q86-Q110 PolarHBondContact O-NE2 3.18Å; Q86-D111 PolarHBondContact NE2-OD2 2.92Å; Q86-D111 PolarHBondContact OE1-OD2 3.35Å
87	S	90.1	Very high	92.7	Very high	48 Å²	48	65.9 Å²	65.9	34%	0.336	33%	0.33	S	S	.	.			trans	-69.5	153.8	168.8	-65.7	0	0	0	0	111.4	S35	S35-S87 PolarHBondContact O-OG 3.23Å; S35-S87 VanDerWaalsContact O-OG 3.13Å; S35-S87 WeakPolarHBondContact OG-CA 3.29Å
88	V	93.9	Very high	92.5	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	32%	0.323	C	S	.	.			trans	-107.3	134.9	176.3	-177.3	0	0	0	0	109.1	R34 S35 L53 Y90 A108 Q110 I115	R34-V88 WeakPolarHBondContact CA-O 3.4Å; S35-V88 PolarHBondContact N-O 2.85Å; S35-V88 PolarHBondContact OG-N 3.35Å; L53-V88 HydrophobicContact CD2-CG1 4.39Å; L53-V88 HydrophobicContact CD2-CG2 3.78Å; V88-Y90 HydrophobicContact CB-CE2 3.96Å; V88-Y90 HydrophobicContact CG1-CD1 4.44Å; V88-Y90 HydrophobicContact CG1-CD2 4.42Å; V88-Y90 HydrophobicContact CG1-CE1 3.89Å; V88-Y90 HydrophobicContact CG1-CE2 3.89Å; V88-A108 HydrophobicContact CG1-CB 3.69Å; V88-Q110 HydrophobicContact CG2-CG 3.99Å; V88-I115 HydrophobicContact CG1-CD1 4.03Å; V88-I115 HydrophobicContact CG2-CD1 4.1Å
89	L	96.9	Very high	92.4	Very high	63 Å²	63	73.4 Å²	73.4	33%	0.33	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.6	171	-68.7	174	0	0	0	110.1	F33 R34 F91 A108 L109	F33-L89 CarbonylContact O-C 3.53Å; F33-L89 WeakPolarHBondContact O-CA 3.15Å; R34-L89 HydrophobicContact CB-CD2 3.86Å; R34-L89 HydrophobicContact CG-CD2 4.01Å; L89-F91 HydrophobicContact CB-CD2 4.23Å; L89-F91 HydrophobicContact CB-CE2 3.62Å; L89-F91 HydrophobicContact CB-CZ 4.46Å; L89-F91 HydrophobicContact CD1-CE2 4.16Å; L89-F91 HydrophobicContact CD1-CZ 4.34Å; L89-A108 CarbonylContact O-C 3.6Å; L89-A108 VanDerWaalsContact O-CA 3.29Å; L89-A108 WeakPolarHBondContact O-CA 3.21Å; L89-L109 PolarHBondContact N-O 2.83Å; L89-L109 PolarHBondContact O-N 2.76Å
90	Y	98.1	Very high	92.4	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.2	176.7	-59.3	-85	0	0	0	109.2	V25 V32 F33 Q56 A57 A60 V88 I92 V106 A108	V25-Y90 HydrophobicContact CG1-CD2 4.16Å; V25-Y90 HydrophobicContact CG1-CE2 4Å; V32-Y90 WeakPolarHBondContact CA-O 3.35Å; F33-Y90 PolarHBondContact N-O 2.77Å; F33-Y90 PolarHBondContact O-N 2.95Å; Q56-Y90 HydrophobicContact CB-CE1 4.29Å; Q56-Y90 HydrophobicContact CB-CE2 3.84Å; Q56-Y90 WeakPolarHBondContact CB-OH 3.42Å; Q56-Y90 PolarHBondContact OE1-OH 3.26Å; A57-Y90 HydrophobicContact CB-CD1 3.89Å; A57-Y90 HydrophobicContact CB-CE1 3.83Å; A60-Y90 HydrophobicContact CB-CG 4.32Å; V88-Y90 HydrophobicContact CB-CE2 3.96Å; V88-Y90 HydrophobicContact CG1-CD1 4.44Å; V88-Y90 HydrophobicContact CG1-CD2 4.42Å; V88-Y90 HydrophobicContact CG1-CE1 3.89Å; V88-Y90 HydrophobicContact CG1-CE2 3.89Å; Y90-I92 VanDerWaalsContact C-CD1 3.48Å; Y90-I92 VanDerWaalsContact O-CD1 3.26Å; Y90-I92 WeakPolarHBondContact O-CD1 3.29Å; Y90-V106 HydrophobicContact CD1-CG2 4.02Å; Y90-V106 HydrophobicContact CG-CG2 4.5Å; Y90-A108 HydrophobicContact CD1-CB 3.68Å; Y90-A108 HydrophobicContact CE1-CB 3.59Å
91	F	98.6	Very high	92.7	Very high	82 Å²	82	68.9 Å²	68.9	36%	0.36	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.9	176.9	-70.4	-99.4	0	0	0	109.4	V32 L89 V106 K107 L109	V32-F91 HydrophobicContact CG1-CD1 4.37Å; V32-F91 HydrophobicContact CG1-CE1 4.11Å; V32-F91 HydrophobicContact CG1-CZ 4.24Å; V32-F91 HydrophobicContact CG2-CD1 3.77Å; V32-F91 HydrophobicContact CG2-CE1 3.87Å; L89-F91 HydrophobicContact CB-CD2 4.23Å; L89-F91 HydrophobicContact CB-CE2 3.62Å; L89-F91 HydrophobicContact CB-CZ 4.46Å; L89-F91 HydrophobicContact CD1-CE2 4.16Å; L89-F91 HydrophobicContact CD1-CZ 4.34Å; F91-V106 VanDerWaalsContact O-CA 3.29Å; F91-V106 WeakPolarHBondContact O-CA 3.47Å; F91-K107 PolarHBondContact N-O 2.85Å; F91-K107 PolarHBondContact O-N 2.87Å; F91-L109 HydrophobicContact CD2-CD1 3.81Å; F91-L109 HydrophobicContact CD2-CD2 4.26Å; F91-L109 HydrophobicContact CD2-CG 4.43Å; F91-L109 HydrophobicContact CE2-CB 4.31Å; F91-L109 HydrophobicContact CE2-CD1 4.3Å; F91-L109 HydrophobicContact CE2-CD2 3.99Å; F91-L109 HydrophobicContact CE2-CG 4.43Å
92	I	98.8	Very high	93.3	Very high	12 Å²	12	64 Å²	64	6%	0.062	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.1	-173.1	-70.1	54.6	0	0	0	108.4	N31 F33 A60 T64 Y90 R104 S105 V106	N31-I92 HydrophobicContact CB-CB 4.24Å; N31-I92 VanDerWaalsContact CB-O 3.22Å; N31-I92 WeakPolarHBondContact CB-O 3.38Å; N31-I92 PolarHBondContact O-N 2.67Å; F33-I92 HydrophobicContact CD2-CD1 3.91Å; F33-I92 HydrophobicContact CD2-CG1 4.5Å; F33-I92 HydrophobicContact CE2-CD1 4.45Å; A60-I92 HydrophobicContact CB-CD1 3.91Å; A60-I92 HydrophobicContact CB-CG1 4.49Å; T64-I92 HydrophobicContact CG2-CB 4.34Å; T64-I92 HydrophobicContact CG2-CG1 4.46Å; T64-I92 HydrophobicContact CG2-CG2 3.95Å; Y90-I92 VanDerWaalsContact C-CD1 3.48Å; Y90-I92 VanDerWaalsContact O-CD1 3.26Å; Y90-I92 WeakPolarHBondContact O-CD1 3.29Å; I92-R104 HydrophobicContact CG2-CB 4.32Å; I92-R104 HydrophobicContact CG2-CG 4.38Å; I92-S105 CarbonylContact C-O 3.47Å; I92-S105 WeakPolarHBondContact CA-O 3.44Å; I92-V106 HydrophobicContact CD1-CB 4.32Å; I92-V106 HydrophobicContact CD1-CG2 3.76Å; I92-V106 HydrophobicContact CG1-CB 4.35Å; I92-V106 HydrophobicContact CG1-CG2 4.32Å
93	E	98.7	Very high	93.8	Very high	112 Å²	112	64.6 Å²	64.6	52%	0.523	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.8	168.9	-163.3	179.5	153.8	0	0	109.1	N95 R104 S105	E93-N95 PolarHBondContact O-N 3.11Å; E93-N95 PolarHBondContact O-OD1 3.15Å; E93-R104 WeakPolarHBondContact O-CA 3.4Å; E93-S105 WeakPolarHBondContact CB-OG 3.47Å; E93-S105 PolarHBondContact N-O 3.15Å; E93-S105 PolarHBondContact O-N 3.26Å; E93-S105 VanDerWaalsContact O-N 3.15Å
94	R	98.3	Very high	94.5	Very high	114 Å²	114	62.2 Å²	62.2	43%	0.43	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	78.6	176.5	-56.5	-170	-174.7	-162.9	0.6	109.6	N31 R96	N31-R94 PolarHBondContact OD1-NE 3.25Å; N31-R94 PolarHBondContact OD1-NH2 2.87Å; R94-R96 VanDerWaalsContact C-N 3.26Å; R94-R96 PolarHBondContact O-N 3.01Å
95	N	98.5	Very high	95.4	Very high	74 Å²	74	60.5 Å²	60.5	40%	0.396	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-33.8	-172.5	-44.7	95.4	0	0	0	112.4	E93 T103 R104 S105	E93-N95 PolarHBondContact O-N 3.11Å; E93-N95 PolarHBondContact O-OD1 3.15Å; N95-T103 HydrophobicContact CB-CG2 4.34Å; N95-T103 PolarHBondContact N-O 3.32Å; N95-R104 WeakPolarHBondContact OD1-CA 3.23Å; N95-S105 PolarHBondContact ND2-OG 2.94Å; N95-S105 VanDerWaalsContact ND2-OG 3.1Å; N95-S105 PolarHBondContact OD1-N 3.39Å; N95-S105 PolarHBondContact OD1-OG 2.8Å
96	R	97.9	Very high	96.3	Very high	143 Å²	143	59 Å²	59	54%	0.54	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	137.4	179.2	-175.4	-178.2	175.2	-153.5	0.9	111.5	R94 S102 T103 R104	R94-R96 VanDerWaalsContact C-N 3.26Å; R94-R96 PolarHBondContact O-N 3.01Å; R96-S102 VanDerWaalsContact O-CA 3.27Å; R96-S102 WeakPolarHBondContact O-CA 3.46Å; R96-S102 WeakPolarHBondContact O-CB 3.31Å; R96-T103 PolarHBondContact N-O 2.97Å; R96-T103 PolarHBondContact O-N 2.78Å; R96-R104 PolarHBondContact O-NH1 3.4Å; R96-R104 VanDerWaalsContact O-NH1 3.12Å
97	D	97.5	Very high	97	Very high	93 Å²	93	61 Å²	61	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	99.9	163.9	-74.1	-41.9	0	0	0	109.3	S102 R104	D97-S102 WeakPolarHBondContact OD1-CB 3Å; D97-S102 PolarHBondContact OD1-OG 3.36Å; D97-R104 IonicContact OD1-CZ 3.88Å; D97-R104 VanDerWaalsContact OD1-CZ 3.26Å; D97-R104 IonicContact OD1-NH1 2.78Å; D97-R104 PolarHBondContact OD1-NH1 2.71Å; D97-R104 IonicContact OD1-NH2 3.7Å; D97-R104 PolarHBondContact OD1-NH2 3.1Å; D97-R104 IonicContact OD2-CZ 2.76Å; D97-R104 IonicContact OD2-NH1 3.54Å; D97-R104 IonicContact OD2-NH2 3.79Å; D97-R104 PolarHBondContact OD2-NH2 2.97Å
98	G	94.7	Very high	97.4	Very high	25 Å²	25	58.7 Å²	58.7	26%	0.258	27%	0.272	S	S	.	.			trans	-101.7	173.5	174.8	0	0	0	0	0	111.9	T100 F101	G98-T100 VanDerWaalsContact C-N 3.27Å; G98-T100 PolarHBondContact O-N 2.85Å; G98-F101 VanDerWaalsContact CA-O 3.24Å; G98-F101 WeakPolarHBondContact CA-O 3.31Å; G98-F101 PolarHBondContact N-O 2.87Å
99	R	92.7	Very high	97.5	Very high	221 Å²	221	60.4 Å²	60.4	83%	0.834	28%	0.281	S	S	*	.	S	Bend	trans	-64.3	-32.1	177.5	-170.7	176	70.2	117.8	0.7	113.4
100	T	94	Very high	97.4	Very high	44 Å²	44	58 Å²	58	27%	0.27	27%	0.268	S	S	.	.	S	Bend	trans	-116.2	-31.2	-175.6	-50.6	0	0	0	0	112.4	G98 H123 K124	G98-T100 VanDerWaalsContact C-N 3.27Å; G98-T100 PolarHBondContact O-N 2.85Å; T100-H123 CarbonylContact O-C 3.53Å; T100-H123 WeakPolarHBondContact O-CA 3.47Å; T100-K124 HydrophobicContact CG2-CB 4.37Å; T100-K124 PolarHBondContact O-N 3.18Å
101	F	97.2	Very high	97.1	Very high	83 Å²	83	64 Å²	64	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.2	-175.4	-69	-89.6	0	0	0	111	G98 F122 H123	G98-F101 VanDerWaalsContact CA-O 3.24Å; G98-F101 WeakPolarHBondContact CA-O 3.31Å; G98-F101 PolarHBondContact N-O 2.87Å; F101-F122 CarbonylContact C-O 3.54Å; F101-F122 VanDerWaalsContact CA-O 3.22Å; F101-F122 WeakPolarHBondContact CA-O 3.29Å; F101-H123 HydrophobicContact CD1-CB 3.6Å; F101-H123 HydrophobicContact CE1-CB 3.48Å; F101-H123 VanDerWaalsContact CE1-CB 3.48Å; F101-H123 HydrophobicContact CG-CB 4.39Å; F101-H123 HydrophobicContact CZ-CB 4.19Å
102	S	98.4	Very high	96.8	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.2	164.9	-73.4	0	0	0	0	110.2	L69 R96 D97 F122	L69-S102 VanDerWaalsContact CD1-OG 3.29Å; L69-S102 WeakPolarHBondContact CD1-OG 3.4Å; R96-S102 VanDerWaalsContact O-CA 3.27Å; R96-S102 WeakPolarHBondContact O-CA 3.46Å; R96-S102 WeakPolarHBondContact O-CB 3.31Å; D97-S102 WeakPolarHBondContact OD1-CB 3Å; D97-S102 PolarHBondContact OD1-OG 3.36Å; S102-F122 PolarHBondContact N-O 2.93Å; S102-F122 PolarHBondContact O-N 3.43Å
103	T	98.7	Very high	96.7	Very high	31 Å²	31	67.8 Å²	67.8	19%	0.19	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.2	176.9	-52.7	0	0	0	0	108.9	N95 R96 L120	N95-T103 HydrophobicContact CB-CG2 4.34Å; N95-T103 PolarHBondContact N-O 3.32Å; R96-T103 PolarHBondContact N-O 2.97Å; R96-T103 PolarHBondContact O-N 2.78Å; T103-L120 WeakPolarHBondContact CA-O 3.44Å
104	R	98.8	Very high	96.6	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.3	173.4	-60.1	-62.5	179.1	-100	4.2	109.4	C61 T64 V65 I92 E93 N95 R96 D97 C119 L120 F122	C61-R104 HydrophobicContact CB-CB 4.13Å; C61-R104 HydrophobicContact CB-CG 4.34Å; T64-R104 PolarHBondContact O-NH2 3.18Å; T64-R104 WeakPolarHBondContact OG1-CD 3.37Å; T64-R104 PolarHBondContact OG1-NE 3.14Å; V65-R104 HydrophobicContact CG1-CG 4.16Å; I92-R104 HydrophobicContact CG2-CB 4.32Å; I92-R104 HydrophobicContact CG2-CG 4.38Å; E93-R104 WeakPolarHBondContact O-CA 3.4Å; N95-R104 WeakPolarHBondContact OD1-CA 3.23Å; R96-R104 PolarHBondContact O-NH1 3.4Å; R96-R104 VanDerWaalsContact O-NH1 3.12Å; D97-R104 IonicContact OD1-CZ 3.88Å; D97-R104 VanDerWaalsContact OD1-CZ 3.26Å; D97-R104 IonicContact OD1-NH1 2.78Å; D97-R104 PolarHBondContact OD1-NH1 2.71Å; D97-R104 IonicContact OD1-NH2 3.7Å; D97-R104 PolarHBondContact OD1-NH2 3.1Å; D97-R104 IonicContact OD2-CZ 2.76Å; D97-R104 IonicContact OD2-NH1 3.54Å; D97-R104 IonicContact OD2-NH2 3.79Å; D97-R104 PolarHBondContact OD2-NH2 2.97Å; R104-C119 WeakPolarHBondContact O-CA 3.45Å; R104-L120 PolarHBondContact N-O 2.99Å; R104-L120 PolarHBondContact O-N 3.3Å; R104-F122 HydrophobicContact CB-CE2 4.05Å; R104-F122 HydrophobicContact CG-CD2 4.41Å; R104-F122 HydrophobicContact CG-CE2 3.73Å; R104-F122 HydrophobicContact CG-CZ 4.49Å
105	S	98.7	Very high	96.5	Very high	22 Å²	22	59 Å²	59	15%	0.154	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.4	162.6	60.7	0	0	0	0	108.5	I92 E93 N95 A118	I92-S105 CarbonylContact C-O 3.47Å; I92-S105 WeakPolarHBondContact CA-O 3.44Å; E93-S105 WeakPolarHBondContact CB-OG 3.47Å; E93-S105 PolarHBondContact N-O 3.15Å; E93-S105 PolarHBondContact O-N 3.26Å; E93-S105 VanDerWaalsContact O-N 3.15Å; N95-S105 PolarHBondContact ND2-OG 2.94Å; N95-S105 VanDerWaalsContact ND2-OG 3.1Å; N95-S105 PolarHBondContact OD1-N 3.39Å; N95-S105 PolarHBondContact OD1-OG 2.8Å; S105-A118 CarbonylContact C-O 3.59Å; S105-A118 VanDerWaalsContact CA-O 3.25Å; S105-A118 WeakPolarHBondContact CA-O 3.41Å
106	V	98.7	Very high	96.4	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.1	-179.5	53.6	0	0	0	0	110.3	A57 Y90 F91 I92 L117 A118 L120	A57-V106 HydrophobicContact CB-CG1 3.98Å; A57-V106 HydrophobicContact CB-CG2 4.41Å; Y90-V106 HydrophobicContact CD1-CG2 4.02Å; Y90-V106 HydrophobicContact CG-CG2 4.5Å; F91-V106 VanDerWaalsContact O-CA 3.29Å; F91-V106 WeakPolarHBondContact O-CA 3.47Å; I92-V106 HydrophobicContact CD1-CB 4.32Å; I92-V106 HydrophobicContact CD1-CG2 3.76Å; I92-V106 HydrophobicContact CG1-CB 4.35Å; I92-V106 HydrophobicContact CG1-CG2 4.32Å; V106-L117 WeakPolarHBondContact O-CA 3.45Å; V106-A118 HydrophobicContact CG1-CB 3.71Å; V106-A118 PolarHBondContact N-O 3.42Å; V106-A118 PolarHBondContact O-N 3.47Å; V106-L120 HydrophobicContact CG1-CD1 3.81Å
107	K	98.6	Very high	96.5	Very high	108 Å²	108	52.2 Å²	52.2	47%	0.47	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.8	167.1	-64.2	176.7	-178.3	172.7	0	108.1	F91 L109 L117	F91-K107 PolarHBondContact N-O 2.85Å; F91-K107 PolarHBondContact O-N 2.87Å; K107-L109 HydrophobicContact CB-CD1 3.5Å; K107-L109 VanDerWaalsContact CB-CD1 3.5Å; K107-L109 WeakPolarHBondContact O-CD1 3.48Å; K107-L117 HydrophobicContact CG-CD1 3.68Å
108	A	97.4	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.5	169.9	0	0	0	0	0	109.1	V88 L89 Y90 C114 I115 L116	V88-A108 HydrophobicContact CG1-CB 3.69Å; L89-A108 CarbonylContact O-C 3.6Å; L89-A108 VanDerWaalsContact O-CA 3.29Å; L89-A108 WeakPolarHBondContact O-CA 3.21Å; Y90-A108 HydrophobicContact CD1-CB 3.68Å; Y90-A108 HydrophobicContact CE1-CB 3.59Å; A108-C114 CarbonylContact O-C 3.51Å; A108-C114 WeakPolarHBondContact O-CA 3.44Å; A108-I115 HydrophobicContact CB-CG1 4.03Å; A108-I115 VanDerWaalsContact O-CG1 3.29Å; A108-I115 WeakPolarHBondContact O-CG1 3.19Å; A108-I115 PolarHBondContact O-N 3.16Å; A108-L116 HydrophobicContact CB-CB 3.75Å; A108-L116 HydrophobicContact CB-CD2 4.42Å; A108-L116 PolarHBondContact N-O 3.41Å; A108-L116 PolarHBondContact O-N 2.98Å
109	L	96.8	Very high	96.7	Very high	37 Å²	37	49.1 Å²	49.1	19%	0.194	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.8	-173.5	-79.4	71.8	0	0	0	111.9	L89 F91 K107 Q113	L89-L109 PolarHBondContact N-O 2.83Å; L89-L109 PolarHBondContact O-N 2.76Å; F91-L109 HydrophobicContact CD2-CD1 3.81Å; F91-L109 HydrophobicContact CD2-CD2 4.26Å; F91-L109 HydrophobicContact CD2-CG 4.43Å; F91-L109 HydrophobicContact CE2-CB 4.31Å; F91-L109 HydrophobicContact CE2-CD1 4.3Å; F91-L109 HydrophobicContact CE2-CD2 3.99Å; F91-L109 HydrophobicContact CE2-CG 4.43Å; K107-L109 HydrophobicContact CB-CD1 3.5Å; K107-L109 VanDerWaalsContact CB-CD1 3.5Å; K107-L109 WeakPolarHBondContact O-CD1 3.48Å; L109-Q113 VanDerWaalsContact CA-O 3.25Å; L109-Q113 WeakPolarHBondContact CA-O 3.16Å
110	Q	93.6	Very high	97	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.4	162.9	-73.4	-177.6	-49.7	0	0	108.5	S83 Q86 V88 G112 Q113 I115	S83-Q110 PolarHBondContact O-NE2 3.48Å; Q86-Q110 PolarHBondContact O-NE2 3.18Å; V88-Q110 HydrophobicContact CG2-CG 3.99Å; Q110-G112 PolarHBondContact O-N 2.7Å; Q110-G112 VanDerWaalsContact O-N 3.11Å; Q110-Q113 PolarHBondContact N-O 2.9Å; Q110-Q113 WeakPolarHBondContact O-CB 3.31Å; Q110-Q113 PolarHBondContact O-N 2.85Å; Q110-I115 HydrophobicContact CB-CG2 4.36Å; Q110-I115 HydrophobicContact CG-CD1 4.07Å
111	D	92	Very high	97.2	Very high	127 Å²	127	37.7 Å²	37.7	68%	0.679	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	41	-178.8	-63.4	-23.8	0	0	0	113.6	Q86 Q113	Q86-D111 PolarHBondContact NE2-OD2 2.92Å; Q86-D111 PolarHBondContact OE1-OD2 3.35Å; D111-Q113 PolarHBondContact O-N 3.19Å
112	G	93.6	Very high	97.3	Very high	64 Å²	64	33.8 Å²	33.8	66%	0.66	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	1.8	-179.1	0	0	0	0	0	115.2	Q110	Q110-G112 PolarHBondContact O-N 2.7Å; Q110-G112 VanDerWaalsContact O-N 3.11Å
113	Q	96.1	Very high	97.1	Very high	109 Å²	109	36 Å²	36	51%	0.509	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.8	179.1	-60.4	-65.8	-53.5	0	0	110.2	L109 Q110 D111 I115	L109-Q113 VanDerWaalsContact CA-O 3.25Å; L109-Q113 WeakPolarHBondContact CA-O 3.16Å; Q110-Q113 PolarHBondContact N-O 2.9Å; Q110-Q113 WeakPolarHBondContact O-CB 3.31Å; Q110-Q113 PolarHBondContact O-N 2.85Å; D111-Q113 PolarHBondContact O-N 3.19Å; Q113-I115 PolarHBondContact O-N 2.94Å
114	C	97.3	Very high	97	Very high	39 Å²	39	39.4 Å²	39.4	26%	0.264	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	119.6	174.6	-165.3	0	0	0	0	109.5	L79 A108 L116	L79-C114 HydrophobicContact CD1-CB 4.14Å; A108-C114 CarbonylContact O-C 3.51Å; A108-C114 WeakPolarHBondContact O-CA 3.44Å; C114-L116 PolarHBondContact SG-O 2.89Å; C114-L116 VanDerWaalsContact SG-O 3.34Å
115	I	95.4	Very high	96.6	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-28.1	179.4	60.3	163.8	0	0	0	112.3	L53 L79 K80 A82 V88 A108 Q110 Q113	L53-I115 HydrophobicContact CD1-CD1 4.34Å; L53-I115 HydrophobicContact CD2-CD1 3.92Å; L79-I115 PolarHBondContact N-O 2.48Å; K80-I115 HydrophobicContact CB-CG2 4.21Å; K80-I115 PolarHBondContact N-O 2.79Å; A82-I115 HydrophobicContact CB-CD1 3.81Å; V88-I115 HydrophobicContact CG1-CD1 4.03Å; V88-I115 HydrophobicContact CG2-CD1 4.1Å; A108-I115 HydrophobicContact CB-CG1 4.03Å; A108-I115 VanDerWaalsContact O-CG1 3.29Å; A108-I115 WeakPolarHBondContact O-CG1 3.19Å; A108-I115 PolarHBondContact O-N 3.16Å; Q110-I115 HydrophobicContact CB-CG2 4.36Å; Q110-I115 HydrophobicContact CG-CD1 4.07Å; Q113-I115 PolarHBondContact O-N 2.94Å
116	L	97.1	Very high	96.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135.9	178.5	180	75.1	0	0	0	109	L53 V54 A57 C76 F78 A108 C114	L53-L116 HydrophobicContact CB-CD2 4.24Å; V54-L116 HydrophobicContact CG2-CD2 4.49Å; A57-L116 HydrophobicContact CB-CD2 4.05Å; C76-L116 HydrophobicContact CB-CD1 3.85Å; F78-L116 HydrophobicContact CD1-CD1 3.64Å; F78-L116 HydrophobicContact CE1-CD1 3.69Å; F78-L116 HydrophobicContact CG-CD1 4.24Å; F78-L116 HydrophobicContact CZ-CD1 4.35Å; A108-L116 HydrophobicContact CB-CB 3.75Å; A108-L116 HydrophobicContact CB-CD2 4.42Å; A108-L116 PolarHBondContact N-O 3.41Å; A108-L116 PolarHBondContact O-N 2.98Å; C114-L116 PolarHBondContact SG-O 2.89Å; C114-L116 VanDerWaalsContact SG-O 3.34Å
117	L	98.4	Very high	95.5	Very high	73 Å²	73	55.1 Å²	55.1	38%	0.382	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.3	164.9	-178.8	69.6	0	0	0	108	C76 S77 L79 V106 K107	C76-L117 CarbonylContact C-O 3.52Å; C76-L117 VanDerWaalsContact CA-O 3.23Å; C76-L117 WeakPolarHBondContact CA-O 3.44Å; C76-L117 WeakPolarHBondContact CB-O 3.32Å; S77-L117 PolarHBondContact N-O 3.01Å; S77-L117 PolarHBondContact O-N 3.31Å; L79-L117 HydrophobicContact CD1-CB 4.26Å; V106-L117 WeakPolarHBondContact O-CA 3.45Å; K107-L117 HydrophobicContact CG-CD1 3.68Å
118	A	98.6	Very high	94.8	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.2	174.9	0	0	0	0	0	112.6	I74 Q75 C76 S105 V106 L120	I74-A118 HydrophobicContact CD1-CB 4.22Å; I74-A118 HydrophobicContact CG1-CB 4.33Å; Q75-A118 CarbonylContact O-C 3.59Å; Q75-A118 WeakPolarHBondContact O-CA 3.36Å; C76-A118 HydrophobicContact CB-CB 3.53Å; S105-A118 CarbonylContact C-O 3.59Å; S105-A118 VanDerWaalsContact CA-O 3.25Å; S105-A118 WeakPolarHBondContact CA-O 3.41Å; V106-A118 HydrophobicContact CG1-CB 3.71Å; V106-A118 PolarHBondContact N-O 3.42Å; V106-A118 PolarHBondContact O-N 3.47Å; A118-L120 HydrophobicContact CB-CD1 4Å
119	C	98.8	Very high	94.5	Very high	50 Å²	50	60.8 Å²	60.8	34%	0.338	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.2	170.3	-169	0	0	0	0	108.8	I74 Q75 R104	I74-C119 WeakPolarHBondContact CA-O 3.24Å; Q75-C119 PolarHBondContact N-O 3.02Å; Q75-C119 PolarHBondContact O-N 3.28Å; R104-C119 WeakPolarHBondContact O-CA 3.45Å
120	L	98.7	Very high	94.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.7	-177.3	-66.2	82.8	0	0	0	109.6	M58 C61 M71 S73 I74 T103 R104 V106 A118 F122	M58-L120 HydrophobicContact CB-CD2 4.28Å; M58-L120 HydrophobicContact CG-CD2 3.97Å; C61-L120 HydrophobicContact CB-CD1 4.43Å; C61-L120 HydrophobicContact CB-CD2 3.79Å; M71-L120 HydrophobicContact SD-CD2 3.75Å; S73-L120 WeakPolarHBondContact O-CA 3.25Å; I74-L120 HydrophobicContact CB-CG 4.06Å; I74-L120 HydrophobicContact CD1-CD1 3.96Å; I74-L120 HydrophobicContact CD1-CD2 4.01Å; I74-L120 HydrophobicContact CD1-CG 3.86Å; I74-L120 HydrophobicContact CG1-CD1 4.16Å; I74-L120 HydrophobicContact CG1-CD2 4.47Å; I74-L120 HydrophobicContact CG1-CG 3.88Å; T103-L120 WeakPolarHBondContact CA-O 3.44Å; R104-L120 PolarHBondContact N-O 2.99Å; R104-L120 PolarHBondContact O-N 3.3Å; V106-L120 HydrophobicContact CG1-CD1 3.81Å; A118-L120 HydrophobicContact CB-CD1 4Å; L120-F122 HydrophobicContact CB-CE2 3.59Å; L120-F122 HydrophobicContact CB-CZ 3.83Å; L120-F122 HydrophobicContact CD2-CZ 4.03Å
121	S	98.4	Very high	94.1	Very high	24 Å²	24	70.2 Å²	70.2	17%	0.168	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.2	176.8	-169.1	0	0	0	0	110.4	H72 S73	H72-S121 VanDerWaalsContact CD2-C 3.47Å; H72-S121 PolarHBondContact CD2-O 2.86Å; H72-S121 VanDerWaalsContact CD2-O 3.23Å; H72-S121 PolarHBondContact CE1-OG 3.27Å; H72-S121 PolarHBondContact N-O 2.74Å; H72-S121 WeakPolarHBondContact NE2-CB 3.48Å; H72-S121 PolarHBondContact NE2-OG 3.13Å; S73-S121 PolarHBondContact N-O 2.94Å; S73-S121 PolarHBondContact O-N 3.5Å
122	F	98.3	Very high	94.3	Very high	1 Å²	1	72.2 Å²	72.2	0%	0.004	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.8	-174.9	-53.6	-100	0	0	0	109.3	C61 M62 V65 L69 Q70 M71 F101 S102 R104 L120	C61-F122 HydrophobicContact CB-CE2 4.5Å; C61-F122 HydrophobicContact CB-CZ 3.93Å; M62-F122 HydrophobicContact CG-CE1 3.93Å; V65-F122 HydrophobicContact CG1-CD1 4.37Å; V65-F122 HydrophobicContact CG1-CD2 3.93Å; V65-F122 HydrophobicContact CG1-CE2 4.16Å; V65-F122 HydrophobicContact CG1-CG 4.07Å; V65-F122 HydrophobicContact CG1-CZ 4.48Å; V65-F122 HydrophobicContact CG2-CD1 3.81Å; V65-F122 HydrophobicContact CG2-CE1 3.87Å; V65-F122 HydrophobicContact CG2-CG 4.29Å; V65-F122 HydrophobicContact CG2-CZ 4.42Å; L69-F122 HydrophobicContact CB-CB 4.09Å; L69-F122 HydrophobicContact CD1-CB 4.43Å; Q70-F122 CarbonylContact O-C 3.47Å; Q70-F122 WeakPolarHBondContact O-CA 3.29Å; M71-F122 HydrophobicContact CB-CD1 3.7Å; M71-F122 HydrophobicContact CB-CE1 3.63Å; M71-F122 HydrophobicContact CG-CD1 4.26Å; M71-F122 HydrophobicContact CG-CE1 3.96Å; M71-F122 HydrophobicContact CG-CZ 4.39Å; F101-F122 CarbonylContact C-O 3.54Å; F101-F122 VanDerWaalsContact CA-O 3.22Å; F101-F122 WeakPolarHBondContact CA-O 3.29Å; S102-F122 PolarHBondContact N-O 2.93Å; S102-F122 PolarHBondContact O-N 3.43Å; R104-F122 HydrophobicContact CB-CE2 4.05Å; R104-F122 HydrophobicContact CG-CD2 4.41Å; R104-F122 HydrophobicContact CG-CE2 3.73Å; R104-F122 HydrophobicContact CG-CZ 4.49Å; L120-F122 HydrophobicContact CB-CE2 3.59Å; L120-F122 HydrophobicContact CB-CZ 3.83Å; L120-F122 HydrophobicContact CD2-CZ 4.03Å
123	H	96.2	Very high	94.4	Very high	49 Å²	49	71.6 Å²	71.6	23%	0.227	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157	177	74.8	115.5	0	0	0	112.4	L69 Q70 H72 T100 F101	L69-H123 WeakPolarHBondContact CA-O 3.49Å; Q70-H123 PolarHBondContact N-O 3.4Å; Q70-H123 PolarHBondContact O-N 3.32Å; H72-H123 VanDerWaalsContact CB-CD2 3.48Å; H72-H123 WeakPolarHBondContact CB-CD2 3.48Å; H72-H123 AromaticContact CD2-CD2 3.41Å; H72-H123 PolarHBondContact CD2-CD2 2.95Å; H72-H123 VanDerWaalsContact CD2-CD2 3.41Å; H72-H123 AromaticContact CD2-CG 3.97Å; H72-H123 AromaticContact CG-CD2 3.7Å; T100-H123 CarbonylContact O-C 3.53Å; T100-H123 WeakPolarHBondContact O-CA 3.47Å; F101-H123 HydrophobicContact CD1-CB 3.6Å; F101-H123 HydrophobicContact CE1-CB 3.48Å; F101-H123 VanDerWaalsContact CE1-CB 3.48Å; F101-H123 HydrophobicContact CG-CB 4.39Å; F101-H123 HydrophobicContact CZ-CB 4.19Å
124	K	94.6	Very high	94.3	Very high	104 Å²	104	68.3 Å²	68.3	45%	0.452	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.6	168.2	-166.7	-172.1	170.7	-177.5	0	108.4	W68 L69 T100 T126	W68-K124 HydrophobicContact CE3-CB 4.09Å; W68-K124 HydrophobicContact CE3-CD 4.41Å; W68-K124 HydrophobicContact CE3-CG 3.88Å; W68-K124 HydrophobicContact CZ3-CB 3.94Å; W68-K124 HydrophobicContact CZ3-CD 4.42Å; W68-K124 HydrophobicContact CZ3-CG 4.11Å; L69-K124 HydrophobicContact CD2-CB 4.23Å; L69-K124 VanDerWaalsContact CD2-N 3.25Å; T100-K124 HydrophobicContact CG2-CB 4.37Å; T100-K124 PolarHBondContact O-N 3.18Å; K124-T126 PolarHBondContact O-N 3.04Å
125	E	91	Very high	94.2	Very high	105 Å²	105	73.6 Å²	73.6	49%	0.491	40%	0.401	S	S	.	.			trans	-61.3	133.1	164.7	-168.1	163.4	-146.9	0	0	110.1	S245	E125-S245 WeakPolarHBondContact OE1-CB 3.5Å; E125-S245 PolarHBondContact OE1-OG 2.95Å
126	T	88.5	Confident	94.2	Very high	93 Å²	93	75.9 Å²	75.9	57%	0.571	41%	0.412	S	S	*	.			trans	-137.6	153	-175.4	53.1	0	0	0	0	110	K124 C128	K124-T126 PolarHBondContact O-N 3.04Å; T126-C128 PolarHBondContact O-N 3.37Å
127	D	87	Confident	94.1	Very high	155 Å²	155	77.1 Å²	77.1	83%	0.829	42%	0.421	S	S	*	.			trans	-55.4	135.2	175.9	-59.7	-36.9	0	0	0	111.4	V129	D127-V129 PolarHBondContact O-N 3.23Å
128	C	83	Confident	93.9	Very high	87 Å²	87	81 Å²	81	59%	0.588	44%	0.442	S	S	*	.			trans	-71.4	118.2	179.3	-168	0	0	0	0	110.1	T126 V130	T126-C128 PolarHBondContact O-N 3.37Å; C128-V130 PolarHBondContact SG-O 3.32Å
129	V	90.5	Very high	93.8	Very high	140 Å²	140	81.3 Å²	81.3	85%	0.848	44%	0.443	S	S	*	.	S	Bend	trans	-91.1	-32.4	174.8	-176.8	0	0	0	0	111	D127	D127-V129 PolarHBondContact O-N 3.23Å
130	V	92.5	Very high	93.6	Very high	123 Å²	123	81.4 Å²	81.4	75%	0.745	44%	0.443	S	S	*	.			trans	-144.7	129	178.3	176.4	0	0	0	0	108.1	C128	C128-V130 PolarHBondContact SG-O 3.32Å
131	E	91	Very high	93.4	Very high	124 Å²	124	85.4 Å²	85.4	58%	0.579	46%	0.464	S	S	*	.			trans	-120.7	123.5	174.6	-164.3	166.1	-169.5	0	0	110.5	Y244	E131-Y244 WeakPolarHBondContact OE1-CE1 3.32Å; E131-Y244 PolarHBondContact OE1-OH 2.98Å
132	H	94.7	Very high	93.2	Very high	168 Å²	168	84.3 Å²	84.3	78%	0.778	46%	0.456	S	S	*	.			trans	-153.6	142.1	173.4	174.2	83.3	0	0	0	109.2
133	Q	95.5	Very high	92.9	Very high	51 Å²	51	89.5 Å²	89.5	24%	0.238	48%	0.481	C	S	.	.			trans	-144.8	167.3	169.6	56.6	160.1	58.6	0	0	110	Y244 G278 L280	Q133-Y244 PolarHBondContact OE1-OH 3.43Å; Q133-G278 PolarHBondContact NE2-O 3.42Å; Q133-L280 HydrophobicContact CB-CB 4.33Å
134	A	94.6	Very high	92.6	Very high	40 Å²	40	91 Å²	91	33%	0.331	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-65.1	158.5	165	0	0	0	0	0	110.9	W274	A134-W274 HydrophobicContact CB-CH2 3.98Å; A134-W274 WeakPolarHBondContact O-CZ3 3.37Å
135	N	95.2	Very high	92	Very high	150 Å²	150	87 Å²	87	80%	0.802	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-77	135.9	173.5	-68	-33.4	0	0	0	110.1
136	M	96.2	Very high	91.1	Very high	51 Å²	51	88.3 Å²	88.3	25%	0.251	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-59.5	136.3	169.5	-174.9	177.5	67	0	0	109.6	N138 L254 W274	M136-N138 PolarHBondContact O-N 2.82Å; M136-L254 HydrophobicContact CG-CD2 4.14Å; M136-L254 HydrophobicContact SD-CD2 4.03Å; M136-W274 HydrophobicContact CB-CD2 4.05Å; M136-W274 HydrophobicContact CB-CE3 3.7Å; M136-W274 HydrophobicContact CB-CZ3 4.02Å; M136-W274 HydrophobicContact CG-CB 4.04Å; M136-W274 HydrophobicContact CG-CD2 3.92Å; M136-W274 HydrophobicContact CG-CE3 4.07Å; M136-W274 HydrophobicContact CG-CG 3.93Å; M136-W274 HydrophobicContact SD-CB 3.77Å; M136-W274 HydrophobicContact SD-CG 4.32Å
137	P	95.1	Very high	89.7	Confident	27 Å²	27	88.9 Å²	88.9	18%	0.175	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-56.9	137.1	173.6	-28.6	38.4	0	0	0	112.2	V139 F187	P137-V139 HydrophobicContact CB-CG1 4.22Å; P137-V139 PolarHBondContact O-N 3.23Å; P137-F187 HydrophobicContact CB-CE1 3.7Å; P137-F187 HydrophobicContact CB-CZ 3.67Å; P137-F187 HydrophobicContact CG-CE1 3.76Å; P137-F187 HydrophobicContact CG-CZ 4.04Å
138	N	94.5	Very high	87.9	Confident	154 Å²	154	86.8 Å²	86.8	82%	0.824	48%	0.475	S	S	*	.			trans	-74.7	95.1	177.5	-176.2	22.1	0	0	0	110	M136 M173	M136-N138 PolarHBondContact O-N 2.82Å; N138-M173 WeakPolarHBondContact O-CE 3.3Å
139	V	95.4	Very high	86	Confident	12 Å²	12	93.8 Å²	93.8	7%	0.073	49%	0.489	C	S	.	.			trans	-120.3	153.5	-178.8	-62.8	0	0	0	0	111.1	P137 L141 V171 M173 F187 W189 L254	P137-V139 HydrophobicContact CB-CG1 4.22Å; P137-V139 PolarHBondContact O-N 3.23Å; V139-L141 PolarHBondContact O-N 3.33Å; V139-V171 HydrophobicContact CB-CG1 4.11Å; V139-V171 HydrophobicContact CG1-CG1 4.48Å; V139-M173 HydrophobicContact CB-SD 4.28Å; V139-M173 HydrophobicContact CG1-CE 4.34Å; V139-M173 HydrophobicContact CG1-SD 3.94Å; V139-F187 HydrophobicContact CG1-CD1 4.03Å; V139-F187 HydrophobicContact CG1-CD2 3.73Å; V139-F187 HydrophobicContact CG1-CE1 4.15Å; V139-F187 HydrophobicContact CG1-CE2 3.85Å; V139-F187 HydrophobicContact CG1-CG 3.82Å; V139-F187 HydrophobicContact CG1-CZ 4.07Å; V139-W189 HydrophobicContact CG2-CZ2 4.07Å; V139-L254 HydrophobicContact CG2-CD1 4.13Å; V139-L254 HydrophobicContact CG2-CD2 3.56Å; V139-L254 HydrophobicContact CG2-CG 4.5Å
140	P	95	Very high	83.6	Confident	52 Å²	52	95.1 Å²	95.1	34%	0.338	49%	0.486	S	S	.	.			trans	-49.1	132.7	169.1	-28.9	34	0	0	0	112.6	V145 V171 W189	P140-V145 HydrophobicContact CB-CG2 3.88Å; P140-V171 HydrophobicContact CG-CG1 4.15Å; P140-W189 PolarHBondContact O-NE1 2.92Å
141	L	95.1	Very high	80.8	Confident	84 Å²	84	92.3 Å²	92.3	44%	0.44	47%	0.472	S	S	.	.			trans	-66.8	151.8	176.6	-72.4	179.9	0	0	0	111.1	V139 E143 S144 V145	V139-L141 PolarHBondContact O-N 3.33Å; L141-E143 PolarHBondContact O-N 2.55Å; L141-E143 VanDerWaalsContact O-N 3.09Å; L141-S144 PolarHBondContact N-OG 2.82Å; L141-S144 PolarHBondContact O-N 3.48Å; L141-S144 PolarHBondContact O-OG 3.18Å; L141-V145 PolarHBondContact O-N 2.86Å
142	P	93.3	Very high	78.4	Confident	0 Å²	0	92 Å²	92	0%	0	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.2	-173.8	23.8	-32.4	0	0	0	113	S144 K169 W189 W252 K276	P142-S144 VanDerWaalsContact C-N 3.34Å; P142-K169 HydrophobicContact CB-CD 4.39Å; P142-K169 VanDerWaalsContact O-CD 3.26Å; P142-K169 WeakPolarHBondContact O-CD 3.16Å; P142-K169 WeakPolarHBondContact O-CE 3.42Å; P142-K169 PolarHBondContact O-NZ 3.46Å; P142-W189 HydrophobicContact CB-CB 4.21Å; P142-W189 HydrophobicContact CB-CD2 4.05Å; P142-W189 HydrophobicContact CB-CG 3.88Å; P142-W189 HydrophobicContact CG-CD2 4.12Å; P142-W189 HydrophobicContact CG-CE3 4.28Å; P142-W189 HydrophobicContact CG-CG 4.47Å; P142-W252 HydrophobicContact CB-CD2 3.62Å; P142-W252 HydrophobicContact CB-CE3 4Å; P142-W252 HydrophobicContact CB-CG 3.91Å; P142-W252 HydrophobicContact CB-CZ2 4.19Å; P142-W252 HydrophobicContact CB-CZ3 4.44Å; P142-W252 HydrophobicContact CG-CB 3.97Å; P142-W252 HydrophobicContact CG-CD2 3.85Å; P142-W252 HydrophobicContact CG-CG 3.54Å; P142-K276 HydrophobicContact CG-CD 4.46Å
143	E	92.5	Very high	75.5	Confident	111 Å²	111	92.6 Å²	92.6	52%	0.519	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.2	175.2	-63.6	76	-162.6	0	0	113.2	L141 K276	L141-E143 PolarHBondContact O-N 2.55Å; L141-E143 VanDerWaalsContact O-N 3.09Å; E143-K276 IonicContact OE1-NZ 2.77Å; E143-K276 PolarHBondContact OE1-NZ 2.76Å; E143-K276 IonicContact OE2-NZ 3.16Å; E143-K276 PolarHBondContact OE2-NZ 3.18Å; E143-K276 VanDerWaalsContact OE2-NZ 3.09Å
144	S	89.4	Confident	72.7	Confident	80 Å²	80	98 Å²	98	56%	0.559	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.2	179.6	65.8	0	0	0	0	113.6	L141 P142 D146	L141-S144 PolarHBondContact N-OG 2.82Å; L141-S144 PolarHBondContact O-N 3.48Å; L141-S144 PolarHBondContact O-OG 3.18Å; P142-S144 VanDerWaalsContact C-N 3.34Å; S144-D146 PolarHBondContact O-N 3.38Å
145	V	82.7	Confident	70.3	Confident	19 Å²	19	102.3 Å²	102.3	12%	0.115	53%	0.525	C	S	.	.	S	Bend	trans	-78.7	114.4	173.7	-179.7	0	0	0	0	107.6	P140 L141 T147 K169 P170 V171	P140-V145 HydrophobicContact CB-CG2 3.88Å; L141-V145 PolarHBondContact O-N 2.86Å; V145-T147 PolarHBondContact O-N 3.46Å; V145-K169 HydrophobicContact CB-CB 4.41Å; V145-K169 HydrophobicContact CB-CD 4.25Å; V145-K169 HydrophobicContact CG1-CB 3.97Å; V145-K169 HydrophobicContact CG1-CD 4.44Å; V145-K169 PolarHBondContact O-NZ 2.83Å; V145-P170 WeakPolarHBondContact CG1-O 3.43Å; V145-V171 HydrophobicContact CG2-CG2 4.31Å
146	D	71.7	Confident	68.1	Low	134 Å²	134	98.4 Å²	98.4	72%	0.717	50%	0.501	S	S	*	.			trans	-48	132.4	173	-73.4	-37.7	0	0	0	109.3	S144 W148	S144-D146 PolarHBondContact O-N 3.38Å; D146-W148 PolarHBondContact O-N 2.92Å
147	T	58.3	Low	66.6	Low	104 Å²	104	97.8 Å²	97.8	64%	0.638	50%	0.502	S	S	*	.			trans	-61.2	90.5	168.8	23.4	0	0	0	0	107.6	V145 R149	V145-T147 PolarHBondContact O-N 3.46Å; T147-R149 PolarHBondContact O-N 3.21Å
148	W	49.6	Very low	65.6	Low	111 Å²	111	98.4 Å²	98.4	42%	0.42	50%	0.503	S	S	.	.			trans	-62.1	101.5	179.4	-126	66.4	0	0	0	107.9	D146 E150 K172	D146-W148 PolarHBondContact O-N 2.92Å; W148-E150 WeakPolarHBondContact CH2-O 3.45Å; W148-E150 WeakPolarHBondContact CZ3-O 3.29Å; W148-K172 VanDerWaalsContact CZ2-NZ 3.26Å
149	R	44	Very low	64.6	Low	235 Å²	235	91 Å²	91	89%	0.887	46%	0.464	S	S	*	.			trans	-110.6	-0.3	165.6	-88.7	-174.9	174.5	162.6	-0.4	112.1	T147 S151	T147-R149 PolarHBondContact O-N 3.21Å; R149-S151 PolarHBondContact O-N 3.45Å; R149-S151 VanDerWaalsContact O-N 3.13Å
150	E	38.5	Very low	63.6	Low	168 Å²	168	91.1 Å²	91.1	79%	0.785	47%	0.468	S	S	*	.	S	Bend	trans	-89.6	67	-178.9	-69.9	-175.1	168.1	0	0	112.4	W148	W148-E150 WeakPolarHBondContact CH2-O 3.45Å; W148-E150 WeakPolarHBondContact CZ3-O 3.29Å
151	S	35.2	Very low	62.3	Low	63 Å²	63	90 Å²	90	44%	0.441	46%	0.463	S	S	.	.				165.7	105	128.4	71.8	0	0	0	0	108.8	R149 E153	R149-S151 PolarHBondContact O-N 3.45Å; R149-S151 VanDerWaalsContact O-N 3.13Å; S151-E153 PolarHBondContact O-N 2.99Å
152	S	39.3	Very low	61.4	Low	119 Å²	119	86 Å²	86	83%	0.832	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	0.3	-177.1	46.9	0	0	0	0	114.5
153	E	35.2	Very low	60.7	Low	180 Å²	180	86.9 Å²	86.9	84%	0.841	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-17.5	-163.5	-71.5	-175.6	157.8	0	0	115.5	S151	S151-E153 PolarHBondContact O-N 2.99Å
154	E	37.1	Very low	59.9	Low	164 Å²	164	85.4 Å²	85.4	77%	0.766	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-7.2	-174.1	-72	-170.9	151	0	0	116.5	F156	E154-F156 PolarHBondContact O-N 2.82Å; E154-F156 VanDerWaalsContact O-N 3.11Å
155	H	43	Very low	59.4	Low	131 Å²	131	82.4 Å²	82.4	61%	0.606	42%	0.42	S	S	*	.			trans	-84.3	100.9	179.6	-87.2	84	0	0	0	111.6	S157	H155-S157 PolarHBondContact O-N 2.93Å
156	F	49.6	Very low	59.5	Low	67 Å²	67	81.9 Å²	81.9	29%	0.294	42%	0.416	S	S	.	.			trans	-40.2	128.9	161.1	-86.9	-86.6	0	0	0	110.4	L3 E154 L158	L3-F156 HydrophobicContact CB-CE1 4.5Å; L3-F156 HydrophobicContact CB-CE2 4.13Å; L3-F156 HydrophobicContact CB-CZ 3.53Å; L3-F156 HydrophobicContact CD1-CE2 4.17Å; L3-F156 HydrophobicContact CD1-CZ 4.02Å; L3-F156 HydrophobicContact CD2-CD1 4.25Å; L3-F156 HydrophobicContact CD2-CE1 3.16Å; L3-F156 HydrophobicContact CD2-CE2 3.87Å; L3-F156 HydrophobicContact CD2-CZ 2.97Å; L3-F156 HydrophobicContact CG-CE1 4.26Å; L3-F156 HydrophobicContact CG-CE2 4.23Å; L3-F156 HydrophobicContact CG-CZ 3.6Å; E154-F156 PolarHBondContact O-N 2.82Å; E154-F156 VanDerWaalsContact O-N 3.11Å; F156-L158 PolarHBondContact O-N 2.9Å
157	S	64.5	Low	60.3	Low	39 Å²	39	79.4 Å²	79.4	27%	0.273	40%	0.4	S	S	.	.			trans	-59.5	88.1	167.3	176.7	0	0	0	0	108.7	H155 L159 G160 S163	H155-S157 PolarHBondContact O-N 2.93Å; S157-L159 PolarHBondContact O-N 3.06Å; S157-G160 PolarHBondContact O-N 3.07Å; S157-G160 WeakPolarHBondContact OG-CA 3.44Å; S157-G160 PolarHBondContact OG-N 3Å; S157-G160 PolarHBondContact OG-O 3.34Å; S157-S163 WeakPolarHBondContact OG-CB 3.49Å; S157-S163 PolarHBondContact OG-OG 2.77Å
158	L	74.6	Confident	61.8	Low	39 Å²	39	76.9 Å²	76.9	20%	0.204	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.7	-174.8	-74.2	176.2	0	0	0	112.4	F156 L188 N213 L214 H217	F156-L158 PolarHBondContact O-N 2.9Å; L158-L188 HydrophobicContact CD1-CD2 3.87Å; L158-N213 WeakPolarHBondContact O-CB 3.44Å; L158-L214 HydrophobicContact CB-CD2 3.94Å; L158-L214 HydrophobicContact CD1-CD2 4.42Å; L158-H217 HydrophobicContact CD2-CB 3.91Å; L158-H217 PolarHBondContact O-CD2 2.85Å; L158-H217 VanDerWaalsContact O-CD2 3.28Å
159	L	73.5	Confident	63.7	Low	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	11.8	178.9	-53.9	-179.3	0	0	0	113.1	S157 A161 M162 S163 F166 Q168 L190 I210 N213 L214	S157-L159 PolarHBondContact O-N 3.06Å; L159-A161 PolarHBondContact O-N 3.48Å; L159-M162 HydrophobicContact CB-CB 4Å; L159-M162 HydrophobicContact CB-CE 4.23Å; L159-M162 WeakPolarHBondContact O-CB 3.4Å; L159-M162 PolarHBondContact O-N 2.84Å; L159-S163 PolarHBondContact N-OG 3.12Å; L159-F166 HydrophobicContact CD1-CB 3.69Å; L159-F166 HydrophobicContact CD1-CD2 4.04Å; L159-F166 HydrophobicContact CD1-CG 3.82Å; L159-Q168 HydrophobicContact CD1-CG 4.21Å; L159-L190 HydrophobicContact CD1-CD2 3.85Å; L159-I210 HydrophobicContact CD2-CB 4.41Å; L159-I210 HydrophobicContact CD2-CG1 4.2Å; L159-I210 HydrophobicContact CD2-CG2 4.1Å; L159-N213 PolarHBondContact O-ND2 2.98Å; L159-L214 HydrophobicContact CD2-CD1 4.43Å; L159-L214 HydrophobicContact CD2-CD2 3.87Å; L159-L214 HydrophobicContact CD2-CG 3.9Å
160	G	74.2	Confident	66	Low	14 Å²	14	63.9 Å²	63.9	14%	0.144	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	58.8	-122.5	179.2	0	0	0	0	0	112.7	S157 M162 S163	S157-G160 PolarHBondContact O-N 3.07Å; S157-G160 WeakPolarHBondContact OG-CA 3.44Å; S157-G160 PolarHBondContact OG-N 3Å; S157-G160 PolarHBondContact OG-O 3.34Å; G160-M162 PolarHBondContact O-N 3.42Å; G160-S163 PolarHBondContact O-N 3.14Å
161	A	67.8	Low	68.5	Low	28 Å²	28	56.7 Å²	56.7	23%	0.231	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.7	-20.9	179.5	0	0	0	0	0	113.6	I12 M43 L159	I12-A161 HydrophobicContact CD1-CB 3.55Å; I12-A161 HydrophobicContact CG1-CB 4.33Å; M43-A161 HydrophobicContact CE-CB 3.46Å; M43-A161 VanDerWaalsContact CE-CB 3.46Å; M43-A161 HydrophobicContact SD-CB 3.87Å; L159-A161 PolarHBondContact O-N 3.48Å
162	M	75.8	Confident	71	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-82.5	-9.8	-179	-61	-171.1	-66.1	0	0	113.5	I18 L159 G160 D164 Y165 F166 F206 Q209 I210	I18-M162 HydrophobicContact CD1-CB 4.36Å; I18-M162 HydrophobicContact CD1-CG 4.06Å; L159-M162 HydrophobicContact CB-CB 4Å; L159-M162 HydrophobicContact CB-CE 4.23Å; L159-M162 WeakPolarHBondContact O-CB 3.4Å; L159-M162 PolarHBondContact O-N 2.84Å; G160-M162 PolarHBondContact O-N 3.42Å; M162-D164 VanDerWaalsContact C-N 3.29Å; M162-D164 PolarHBondContact O-N 2.52Å; M162-Y165 WeakPolarHBondContact O-CA 3.27Å; M162-Y165 VanDerWaalsContact O-CB 3.26Å; M162-Y165 WeakPolarHBondContact O-CB 3.47Å; M162-Y165 PolarHBondContact O-N 2.82Å; M162-F166 HydrophobicContact CB-CD2 4.09Å; M162-F166 HydrophobicContact CB-CE2 4.23Å; M162-F166 WeakPolarHBondContact O-CD2 3.22Å; M162-F166 PolarHBondContact O-N 3.32Å; M162-F166 HydrophobicContact SD-CE2 4.21Å; M162-F206 HydrophobicContact SD-CD1 4.14Å; M162-F206 HydrophobicContact SD-CE1 4.48Å; M162-Q209 HydrophobicContact CE-CB 3.84Å; M162-Q209 HydrophobicContact CE-CG 3.49Å; M162-Q209 VanDerWaalsContact CE-CG 3.49Å; M162-Q209 HydrophobicContact SD-CB 4.24Å; M162-Q209 VanDerWaalsContact SD-CD 3.51Å; M162-Q209 HydrophobicContact SD-CG 4.01Å; M162-Q209 PolarHBondContact SD-OE1 3.49Å; M162-I210 HydrophobicContact CE-CG1 3.8Å
163	S	78.2	Confident	73.4	Confident	18 Å²	18	58.1 Å²	58.1	13%	0.126	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63	-33.5	-170.7	-74	0	0	0	0	114.5	S157 L159 G160 Y165 F166 Q168	S157-S163 WeakPolarHBondContact OG-CB 3.49Å; S157-S163 PolarHBondContact OG-OG 2.77Å; L159-S163 PolarHBondContact N-OG 3.12Å; G160-S163 PolarHBondContact O-N 3.14Å; S163-Y165 PolarHBondContact O-N 3.35Å; S163-F166 PolarHBondContact O-N 2.84Å; S163-F166 VanDerWaalsContact O-O 3.06Å; S163-Q168 VanDerWaalsContact CB-NE2 3.26Å; S163-Q168 PolarHBondContact O-NE2 3.04Å; S163-Q168 PolarHBondContact OG-NE2 3.31Å; S163-Q168 VanDerWaalsContact OG-NE2 3.12Å
164	D	75.1	Confident	75.9	Confident	79 Å²	79	58 Å²	58	42%	0.422	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-68.8	-12.6	176.4	-70.5	-32.5	0	0	0	112	R9 M162	R9-D164 IonicContact CZ-OD1 3.32Å; R9-D164 IonicContact CZ-OD2 3.81Å; R9-D164 VanDerWaalsContact CZ-OD2 3.28Å; R9-D164 IonicContact NE-OD2 2.78Å; R9-D164 IonicContact NH1-OD1 3.63Å; R9-D164 PolarHBondContact NH1-OD1 3.15Å; R9-D164 IonicContact NH1-OD2 3.95Å; R9-D164 PolarHBondContact NH1-OD2 2.78Å; R9-D164 VanDerWaalsContact NH1-OD2 3.09Å; R9-D164 IonicContact NH2-OD1 2.76Å; R9-D164 PolarHBondContact NH2-OD1 2.95Å; R9-D164 IonicContact NH2-OD2 3Å; R9-D164 PolarHBondContact NH2-OD2 2.74Å; M162-D164 VanDerWaalsContact C-N 3.29Å; M162-D164 PolarHBondContact O-N 2.52Å
165	Y	79.7	Confident	78.5	Confident	18 Å²	18	58.9 Å²	58.9	7%	0.071	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-100.4	-12.8	-177.5	-64.3	-81.3	0	0	0	114.5	I12 K13 S14 A15 I18 M162 S163 A192 S193	I12-Y165 HydrophobicContact CB-CE2 3.73Å; I12-Y165 HydrophobicContact CG2-CE1 4.48Å; I12-Y165 HydrophobicContact CG2-CE2 3.67Å; I12-Y165 VanDerWaalsContact CG2-CZ 3.49Å; I12-Y165 WeakPolarHBondContact CG2-OH 3.23Å; I12-Y165 PolarHBondContact O-OH 3.26Å; K13-Y165 WeakPolarHBondContact CA-OH 3.06Å; K13-Y165 PolarHBondContact N-OH 2.9Å; K13-Y165 VanDerWaalsContact N-OH 3.12Å; S14-Y165 WeakPolarHBondContact CA-OH 3.49Å; S14-Y165 PolarHBondContact N-OH 2.82Å; S14-Y165 VanDerWaalsContact O-CE1 3.31Å; S14-Y165 WeakPolarHBondContact O-CE1 3.35Å; S14-Y165 PolarHBondContact O-OH 2.78Å; A15-Y165 HydrophobicContact CB-CD1 4.16Å; A15-Y165 HydrophobicContact CB-CE1 4.41Å; A15-Y165 VanDerWaalsContact N-CE1 3.26Å; I18-Y165 HydrophobicContact CD1-CD1 3.99Å; I18-Y165 HydrophobicContact CD1-CD2 2.97Å; I18-Y165 HydrophobicContact CD1-CE1 4.26Å; I18-Y165 HydrophobicContact CD1-CE2 3.29Å; I18-Y165 HydrophobicContact CD1-CG 3.32Å; I18-Y165 HydrophobicContact CG1-CD2 4.34Å; I18-Y165 HydrophobicContact CG1-CE2 4.32Å; M162-Y165 WeakPolarHBondContact O-CA 3.27Å; M162-Y165 VanDerWaalsContact O-CB 3.26Å; M162-Y165 WeakPolarHBondContact O-CB 3.47Å; M162-Y165 PolarHBondContact O-N 2.82Å; S163-Y165 PolarHBondContact O-N 3.35Å; Y165-A192 CarbonylContact O-C 3.53Å; Y165-A192 WeakPolarHBondContact O-CA 3.22Å; Y165-S193 WeakPolarHBondContact O-CB 3.21Å; Y165-S193 PolarHBondContact O-N 3.39Å; Y165-S193 PolarHBondContact O-OG 3.46Å
166	F	85.6	Confident	80.9	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.5	179.3	-78.2	-95.4	0	0	0	108.4	L159 M162 S163 Q168 L190 K191 A192 I196 F206 I210 F249	L159-F166 HydrophobicContact CD1-CB 3.69Å; L159-F166 HydrophobicContact CD1-CD2 4.04Å; L159-F166 HydrophobicContact CD1-CG 3.82Å; M162-F166 HydrophobicContact CB-CD2 4.09Å; M162-F166 HydrophobicContact CB-CE2 4.23Å; M162-F166 WeakPolarHBondContact O-CD2 3.22Å; M162-F166 PolarHBondContact O-N 3.32Å; M162-F166 HydrophobicContact SD-CE2 4.21Å; S163-F166 PolarHBondContact O-N 2.84Å; S163-F166 VanDerWaalsContact O-O 3.06Å; F166-Q168 HydrophobicContact CB-CG 4.21Å; F166-Q168 PolarHBondContact O-N 3.03Å; F166-L190 HydrophobicContact CD1-CB 4.31Å; F166-K191 CarbonylContact C-O 3.48Å; F166-K191 WeakPolarHBondContact CA-O 3.47Å; F166-A192 HydrophobicContact CE1-CB 4.28Å; F166-I196 HydrophobicContact CZ-CD1 4.15Å; F166-F206 HydrophobicContact CE2-CD1 4.33Å; F166-F206 HydrophobicContact CZ-CD1 4.15Å; F166-I210 HydrophobicContact CE1-CD1 3.76Å; F166-I210 HydrophobicContact CE2-CD1 4.42Å; F166-I210 HydrophobicContact CZ-CD1 3.71Å; F166-F249 HydrophobicContact CE1-CB 3.95Å; F166-F249 AromaticContact CE1-CD1 3.76Å; F166-F249 HydrophobicContact CE1-CD1 3.76Å; F166-F249 HydrophobicContact CE1-CE1 4.49Å; F166-F249 AromaticContact CE1-CG 3.95Å; F166-F249 HydrophobicContact CE1-CG 3.95Å; F166-F249 HydrophobicContact CZ-CB 4.39Å; F166-F249 HydrophobicContact CZ-CG 4.4Å
167	Q	88	Confident	83	Confident	82 Å²	82	56.4 Å²	56.4	38%	0.383	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	125.1	154.6	-58.1	-173.4	42.7	0	0	107.6	L190 K191 S193 W252	Q167-L190 WeakPolarHBondContact O-CA 3.46Å; Q167-K191 WeakPolarHBondContact CB-O 3.27Å; Q167-K191 PolarHBondContact N-O 3.13Å; Q167-K191 PolarHBondContact O-N 2.76Å; Q167-S193 PolarHBondContact N-OG 3.4Å; Q167-W252 HydrophobicContact CB-CH2 3.66Å; Q167-W252 HydrophobicContact CB-CZ3 4.17Å
168	Q	88.9	Confident	84.4	Confident	51 Å²	51	58.2 Å²	58.2	24%	0.238	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.8	-178	-71.5	178.9	70.9	0	0	107.7	L159 S163 F166 L188 W189 L190	L159-Q168 HydrophobicContact CD1-CG 4.21Å; S163-Q168 VanDerWaalsContact CB-NE2 3.26Å; S163-Q168 PolarHBondContact O-NE2 3.04Å; S163-Q168 PolarHBondContact OG-NE2 3.31Å; S163-Q168 VanDerWaalsContact OG-NE2 3.12Å; F166-Q168 HydrophobicContact CB-CG 4.21Å; F166-Q168 PolarHBondContact O-N 3.03Å; Q168-L188 HydrophobicContact CB-CD1 4.17Å; Q168-W189 WeakPolarHBondContact CA-O 3.47Å; Q168-L190 HydrophobicContact CG-CD2 3.67Å
169	K	90.8	Very high	85.2	Confident	22 Å²	22	58.1 Å²	58.1	10%	0.096	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	93.7	178.2	-73.6	-170.7	175.6	-149.9	0	109.6	P142 V145 V171 W189 W252	P142-K169 HydrophobicContact CB-CD 4.39Å; P142-K169 VanDerWaalsContact O-CD 3.26Å; P142-K169 WeakPolarHBondContact O-CD 3.16Å; P142-K169 WeakPolarHBondContact O-CE 3.42Å; P142-K169 PolarHBondContact O-NZ 3.46Å; V145-K169 HydrophobicContact CB-CB 4.41Å; V145-K169 HydrophobicContact CB-CD 4.25Å; V145-K169 HydrophobicContact CG1-CB 3.97Å; V145-K169 HydrophobicContact CG1-CD 4.44Å; V145-K169 PolarHBondContact O-NZ 2.83Å; K169-V171 PolarHBondContact O-N 3.24Å; K169-W189 HydrophobicContact CB-CB 3.97Å; K169-W189 PolarHBondContact N-O 3.02Å; K169-W189 PolarHBondContact O-N 2.75Å; K169-W252 HydrophobicContact CD-CH2 3.89Å; K169-W252 HydrophobicContact CD-CZ2 4.34Å; K169-W252 HydrophobicContact CD-CZ3 4.47Å; K169-W252 HydrophobicContact CG-CH2 4.09Å; K169-W252 HydrophobicContact CG-CZ3 4.45Å
170	P	90.9	Very high	85.9	Confident	51 Å²	51	64.9 Å²	64.9	33%	0.331	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	134.2	175.6	-19.9	31.5	0	0	0	109.8	V145 L188	V145-P170 WeakPolarHBondContact CG1-O 3.43Å; P170-L188 HydrophobicContact CB-CD1 4.24Å; P170-L188 HydrophobicContact CG-CD1 3.92Å
171	V	91.7	Very high	86.6	Confident	17 Å²	17	74.1 Å²	74.1	10%	0.103	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.8	178	176.1	0	0	0	0	108.9	V139 P140 V145 K169 M173 F187 W189	V139-V171 HydrophobicContact CB-CG1 4.11Å; V139-V171 HydrophobicContact CG1-CG1 4.48Å; P140-V171 HydrophobicContact CG-CG1 4.15Å; V145-V171 HydrophobicContact CG2-CG2 4.31Å; K169-V171 PolarHBondContact O-N 3.24Å; V171-M173 HydrophobicContact CG1-CG 4.39Å; V171-M173 HydrophobicContact CG1-SD 3.88Å; V171-F187 HydrophobicContact CB-CB 3.71Å; V171-F187 HydrophobicContact CG1-CB 4.34Å; V171-F187 HydrophobicContact CG2-CB 4.07Å; V171-F187 PolarHBondContact N-O 2.88Å; V171-F187 VanDerWaalsContact N-O 3.16Å; V171-W189 VanDerWaalsContact CG2-CD1 3.41Å; V171-W189 HydrophobicContact CG2-CG 4.47Å
172	K	87.4	Confident	87.8	Confident	146 Å²	146	75 Å²	75	64%	0.635	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-98.2	129.9	167.8	-67.1	-176.8	-177.7	176.9	0	108.8	W148	W148-K172 VanDerWaalsContact CZ2-NZ 3.26Å
173	M	89.9	Confident	88.6	Confident	67 Å²	67	75.9 Å²	75.9	33%	0.33	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-103.9	140.2	176.4	-61.4	-65.3	-73.8	0	0	109	N138 V139 V171 K175 F187	N138-M173 WeakPolarHBondContact O-CE 3.3Å; V139-M173 HydrophobicContact CB-SD 4.28Å; V139-M173 HydrophobicContact CG1-CE 4.34Å; V139-M173 HydrophobicContact CG1-SD 3.94Å; V171-M173 HydrophobicContact CG1-CG 4.39Å; V171-M173 HydrophobicContact CG1-SD 3.88Å; M173-K175 WeakPolarHBondContact CB-O 3.11Å; M173-K175 PolarHBondContact O-N 2.83Å; M173-F187 HydrophobicContact CG-CD2 4.16Å; M173-F187 HydrophobicContact CG-CE2 4.32Å
174	D	88.3	Confident	89.4	Confident	177 Å²	177	78.4 Å²	78.4	95%	0.947	41%	0.407	S	S	*	.	S	Bend	trans	-59.8	-32.9	176.6	-66.5	-23.8	0	0	0	112.4
175	K	92	Very high	90.4	Very high	182 Å²	182	75.4 Å²	75.4	79%	0.791	39%	0.391	S	S	*	.	S	Bend	trans	-123.3	138.9	172.5	-65.4	-178.5	-178.5	177.7	0	108.8	M173 A177	M173-K175 WeakPolarHBondContact CB-O 3.11Å; M173-K175 PolarHBondContact O-N 2.83Å; K175-A177 PolarHBondContact O-N 2.79Å
176	Q	92.5	Very high	91.1	Very high	124 Å²	124	77.6 Å²	77.6	58%	0.579	40%	0.402	S	S	*	.			trans	-56.6	114.7	175.6	-178.5	58.9	63.7	0	0	109.5	P184 L185	Q176-P184 HydrophobicContact CG-CB 4.25Å; Q176-L185 PolarHBondContact NE2-O 3.25Å
177	A	93.9	Very high	91.6	Very high	22 Å²	22	77.7 Å²	77.7	18%	0.182	40%	0.402	C	S	.	.			trans	-69.7	142.6	172.4	0	0	0	0	0	109.2	K175 L185 F187	K175-A177 PolarHBondContact O-N 2.79Å; A177-L185 HydrophobicContact CB-CB 4.09Å; A177-L185 HydrophobicContact CB-CD1 4.48Å; A177-L185 PolarHBondContact O-N 3.06Å; A177-F187 HydrophobicContact CB-CE2 3.64Å; A177-F187 HydrophobicContact CB-CZ 4.15Å
178	V	94.2	Very high	91.9	Very high	78 Å²	78	73.9 Å²	73.9	47%	0.473	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-134.4	151.5	177.6	-64.1	0	0	0	0	110.2	T183	V178-T183 CarbonylContact C-O 3.55Å; V178-T183 WeakPolarHBondContact CA-O 3.49Å
179	D	90.4	Very high	92.2	Very high	36 Å²	36	71.4 Å²	71.4	19%	0.193	37%	0.373	C	S	.	.			trans	-74.8	179.8	170	74.1	8.7	0	0	0	111.9	Y181 G182 T183 L185 N260	D179-Y181 PolarHBondContact O-N 3.26Å; D179-Y181 VanDerWaalsContact O-N 3.1Å; D179-Y181 VanDerWaalsContact OD1-CA 3.31Å; D179-Y181 WeakPolarHBondContact OD1-CA 3.18Å; D179-Y181 WeakPolarHBondContact OD1-CB 3.27Å; D179-Y181 PolarHBondContact OD1-N 3.08Å; D179-G182 PolarHBondContact O-N 3.19Å; D179-G182 PolarHBondContact OD1-N 3.01Å; D179-T183 VanDerWaalsContact CG-CB 3.44Å; D179-T183 PolarHBondContact N-O 3.3Å; D179-T183 VanDerWaalsContact OD1-CB 3.31Å; D179-T183 WeakPolarHBondContact OD1-CB 3.38Å; D179-T183 PolarHBondContact OD1-N 3.18Å; D179-T183 PolarHBondContact OD1-OG1 3.17Å; D179-T183 VanDerWaalsContact OD2-CB 3.26Å; D179-T183 WeakPolarHBondContact OD2-CB 3.37Å; D179-T183 PolarHBondContact OD2-OG1 2.86Å; D179-T183 VanDerWaalsContact OD2-OG1 3.11Å; D179-L185 HydrophobicContact CB-CD2 4.14Å; D179-L185 HydrophobicContact CB-CG 4.49Å; D179-N260 PolarHBondContact OD2-ND2 3.37Å
180	T	88.3	Confident	92.4	Very high	142 Å²	142	70.4 Å²	70.4	87%	0.871	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.9	178.7	-49.6	0	0	0	0	113.5
181	Y	89.3	Confident	92.5	Very high	209 Å²	209	71 Å²	71	82%	0.82	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	3.4	178	-57.6	-72.5	0	0	0	112.8	D179 T183	D179-Y181 PolarHBondContact O-N 3.26Å; D179-Y181 VanDerWaalsContact O-N 3.1Å; D179-Y181 VanDerWaalsContact OD1-CA 3.31Å; D179-Y181 WeakPolarHBondContact OD1-CA 3.18Å; D179-Y181 WeakPolarHBondContact OD1-CB 3.27Å; D179-Y181 PolarHBondContact OD1-N 3.08Å; Y181-T183 VanDerWaalsContact C-N 3.34Å
182	G	92.6	Very high	92.3	Very high	46 Å²	46	70.4 Å²	70.4	47%	0.474	36%	0.363	S	S	.	.			trans	82.5	9.3	-178.2	0	0	0	0	0	114.1	D179	D179-G182 PolarHBondContact O-N 3.19Å; D179-G182 PolarHBondContact OD1-N 3.01Å
183	T	93.1	Very high	91.9	Very high	19 Å²	19	65.9 Å²	65.9	12%	0.117	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-72.6	128.1	178.1	-46	0	0	0	0	109.7	V178 D179 Y181 L185 L259 N260	V178-T183 CarbonylContact C-O 3.55Å; V178-T183 WeakPolarHBondContact CA-O 3.49Å; D179-T183 VanDerWaalsContact CG-CB 3.44Å; D179-T183 PolarHBondContact N-O 3.3Å; D179-T183 VanDerWaalsContact OD1-CB 3.31Å; D179-T183 WeakPolarHBondContact OD1-CB 3.38Å; D179-T183 PolarHBondContact OD1-N 3.18Å; D179-T183 PolarHBondContact OD1-OG1 3.17Å; D179-T183 VanDerWaalsContact OD2-CB 3.26Å; D179-T183 WeakPolarHBondContact OD2-CB 3.37Å; D179-T183 PolarHBondContact OD2-OG1 2.86Å; D179-T183 VanDerWaalsContact OD2-OG1 3.11Å; Y181-T183 VanDerWaalsContact C-N 3.34Å; T183-L185 PolarHBondContact O-N 3.35Å; T183-L259 WeakPolarHBondContact CG2-O 3.49Å; T183-N260 PolarHBondContact OG1-ND2 3.11Å; T183-N260 VanDerWaalsContact OG1-ND2 3.09Å
184	P	94.4	Very high	91	Very high	72 Å²	72	66.9 Å²	66.9	47%	0.468	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-56.4	134	174.9	-25.4	35.1	0	0	0	112.6	Q176	Q176-P184 HydrophobicContact CG-CB 4.25Å
185	L	95.9	Very high	90	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.079	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.8	174.4	-62.7	179.3	0	0	0	111.2	Q176 A177 D179 T183 F187 E256 R257	Q176-L185 PolarHBondContact NE2-O 3.25Å; A177-L185 HydrophobicContact CB-CB 4.09Å; A177-L185 HydrophobicContact CB-CD1 4.48Å; A177-L185 PolarHBondContact O-N 3.06Å; D179-L185 HydrophobicContact CB-CD2 4.14Å; D179-L185 HydrophobicContact CB-CG 4.49Å; T183-L185 PolarHBondContact O-N 3.35Å; L185-F187 HydrophobicContact CB-CE1 4.42Å; L185-F187 HydrophobicContact CB-CE2 4.03Å; L185-F187 HydrophobicContact CB-CZ 3.74Å; L185-F187 HydrophobicContact CD1-CZ 4Å; L185-E256 HydrophobicContact CD2-CG 4.25Å; L185-R257 WeakPolarHBondContact CA-O 3.27Å
186	E	95	Very high	89.1	Confident	64 Å²	64	55.2 Å²	55.2	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.6	172.9	-68.3	-176.9	-157.9	0	0	112.1	K221 E256 R257	E186-K221 WeakPolarHBondContact OE1-CE 3.01Å; E186-K221 IonicContact OE1-NZ 3.86Å; E186-K221 PolarHBondContact OE1-NZ 3.22Å; E186-K221 WeakPolarHBondContact OE2-CE 3.26Å; E186-K221 IonicContact OE2-NZ 2.58Å; E186-K221 PolarHBondContact OE2-NZ 3.43Å; E186-E256 CarbonylContact O-C 3.58Å; E186-E256 WeakPolarHBondContact O-CA 3.49Å; E186-R257 PolarHBondContact N-O 2.83Å; E186-R257 PolarHBondContact O-N 3.39Å; E186-R257 IonicContact OE2-NH2 3.53Å
187	F	95.8	Very high	88.3	Confident	9 Å²	9	52 Å²	52	4%	0.039	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.9	-168.5	-62.9	-64.5	0	0	0	111.3	P137 V139 V171 M173 A177 L185 L254 S255 E256	P137-F187 HydrophobicContact CB-CE1 3.7Å; P137-F187 HydrophobicContact CB-CZ 3.67Å; P137-F187 HydrophobicContact CG-CE1 3.76Å; P137-F187 HydrophobicContact CG-CZ 4.04Å; V139-F187 HydrophobicContact CG1-CD1 4.03Å; V139-F187 HydrophobicContact CG1-CD2 3.73Å; V139-F187 HydrophobicContact CG1-CE1 4.15Å; V139-F187 HydrophobicContact CG1-CE2 3.85Å; V139-F187 HydrophobicContact CG1-CG 3.82Å; V139-F187 HydrophobicContact CG1-CZ 4.07Å; V171-F187 HydrophobicContact CB-CB 3.71Å; V171-F187 HydrophobicContact CG1-CB 4.34Å; V171-F187 HydrophobicContact CG2-CB 4.07Å; V171-F187 PolarHBondContact N-O 2.88Å; V171-F187 VanDerWaalsContact N-O 3.16Å; M173-F187 HydrophobicContact CG-CD2 4.16Å; M173-F187 HydrophobicContact CG-CE2 4.32Å; A177-F187 HydrophobicContact CB-CE2 3.64Å; A177-F187 HydrophobicContact CB-CZ 4.15Å; L185-F187 HydrophobicContact CB-CE1 4.42Å; L185-F187 HydrophobicContact CB-CE2 4.03Å; L185-F187 HydrophobicContact CB-CZ 3.74Å; L185-F187 HydrophobicContact CD1-CZ 4Å; F187-L254 HydrophobicContact CB-CD1 4.12Å; F187-L254 HydrophobicContact CD1-CD1 4.36Å; F187-L254 HydrophobicContact CD1-CD2 4.41Å; F187-S255 CarbonylContact C-O 3.51Å; F187-S255 VanDerWaalsContact CA-O 3.23Å; F187-S255 WeakPolarHBondContact CA-O 3.49Å; F187-E256 HydrophobicContact CD1-CB 3.99Å; F187-E256 HydrophobicContact CD1-CG 4.33Å; F187-E256 HydrophobicContact CE1-CB 3.79Å; F187-E256 HydrophobicContact CE1-CG 3.69Å
188	L	95.1	Very high	87.9	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	119.5	176.1	-178.3	65.4	0	0	0	109.7	L158 Q168 P170 L190 L214 S255	L158-L188 HydrophobicContact CD1-CD2 3.87Å; Q168-L188 HydrophobicContact CB-CD1 4.17Å; P170-L188 HydrophobicContact CB-CD1 4.24Å; P170-L188 HydrophobicContact CG-CD1 3.92Å; L188-L190 HydrophobicContact CD2-CD2 3.6Å; L188-L190 HydrophobicContact CD2-CG 4.23Å; L188-L190 HydrophobicContact CG-CD2 3.79Å; L188-L190 HydrophobicContact CG-CG 4.17Å; L188-L214 HydrophobicContact CD2-CD2 3.96Å; L188-S255 PolarHBondContact N-O 3.13Å; L188-S255 PolarHBondContact O-N 2.97Å
189	W	95.6	Very high	87.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.6	167.7	-76.3	110.5	0	0	0	110.2	V139 P140 P142 Q168 K169 V171 W252 L254 K276	V139-W189 HydrophobicContact CG2-CZ2 4.07Å; P140-W189 PolarHBondContact O-NE1 2.92Å; P142-W189 HydrophobicContact CB-CB 4.21Å; P142-W189 HydrophobicContact CB-CD2 4.05Å; P142-W189 HydrophobicContact CB-CG 3.88Å; P142-W189 HydrophobicContact CG-CD2 4.12Å; P142-W189 HydrophobicContact CG-CE3 4.28Å; P142-W189 HydrophobicContact CG-CG 4.47Å; Q168-W189 WeakPolarHBondContact CA-O 3.47Å; K169-W189 HydrophobicContact CB-CB 3.97Å; K169-W189 PolarHBondContact N-O 3.02Å; K169-W189 PolarHBondContact O-N 2.75Å; V171-W189 VanDerWaalsContact CG2-CD1 3.41Å; V171-W189 HydrophobicContact CG2-CG 4.47Å; W189-W252 HydrophobicContact CB-CE3 3.86Å; W189-W252 HydrophobicContact CB-CZ3 3.99Å; W189-W252 HydrophobicContact CE3-CB 3.91Å; W189-W252 HydrophobicContact CZ3-CB 4.07Å; W189-L254 HydrophobicContact CD2-CB 4.09Å; W189-L254 HydrophobicContact CD2-CD1 3.97Å; W189-L254 HydrophobicContact CE3-CB 3.74Å; W189-L254 HydrophobicContact CE3-CD1 4.47Å; W189-L254 HydrophobicContact CG-CD1 4.25Å; W189-L254 HydrophobicContact CH2-CB 3.68Å; W189-L254 HydrophobicContact CZ2-CB 4.03Å; W189-L254 HydrophobicContact CZ2-CD1 4.22Å; W189-L254 HydrophobicContact CZ2-CD2 4.35Å; W189-L254 HydrophobicContact CZ2-CG 4.44Å; W189-L254 HydrophobicContact CZ3-CB 3.54Å; W189-K276 HydrophobicContact CH2-CB 4.45Å; W189-K276 HydrophobicContact CH2-CG 4.3Å; W189-K276 HydrophobicContact CZ3-CB 4.29Å; W189-K276 HydrophobicContact CZ3-CG 4.43Å
190	L	93.9	Very high	87.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.1	-178.3	-64	176.9	0	0	0	109.8	L159 F166 Q167 Q168 L188 I210 L214 W252 V253	L159-L190 HydrophobicContact CD1-CD2 3.85Å; F166-L190 HydrophobicContact CD1-CB 4.31Å; Q167-L190 WeakPolarHBondContact O-CA 3.46Å; Q168-L190 HydrophobicContact CG-CD2 3.67Å; L188-L190 HydrophobicContact CD2-CD2 3.6Å; L188-L190 HydrophobicContact CD2-CG 4.23Å; L188-L190 HydrophobicContact CG-CD2 3.79Å; L188-L190 HydrophobicContact CG-CG 4.17Å; L190-I210 HydrophobicContact CD1-CD1 4.47Å; L190-I210 HydrophobicContact CD1-CG2 3.5Å; L190-I210 VanDerWaalsContact CD1-CG2 3.5Å; L190-L214 HydrophobicContact CD1-CD1 4.14Å; L190-W252 WeakPolarHBondContact O-CA 3.41Å; L190-V253 PolarHBondContact N-O 2.82Å; L190-V253 PolarHBondContact O-N 3.16Å
191	K	92.4	Very high	88	Confident	63 Å²	63	52.7 Å²	52.7	27%	0.274	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	135.2	169.1	172.8	168.8	170	147.6	0	109.3	F166 Q167 G250 W252	F166-K191 CarbonylContact C-O 3.48Å; F166-K191 WeakPolarHBondContact CA-O 3.47Å; Q167-K191 WeakPolarHBondContact CB-O 3.27Å; Q167-K191 PolarHBondContact N-O 3.13Å; Q167-K191 PolarHBondContact O-N 2.76Å; K191-G250 WeakPolarHBondContact CE-O 3.35Å; K191-G250 PolarHBondContact NZ-O 2.8Å; K191-W252 HydrophobicContact CB-CD2 3.54Å; K191-W252 HydrophobicContact CB-CE3 3.34Å; K191-W252 HydrophobicContact CB-CG 4.2Å; K191-W252 HydrophobicContact CB-CH2 3.98Å; K191-W252 HydrophobicContact CB-CZ2 4.17Å; K191-W252 HydrophobicContact CB-CZ3 3.57Å; K191-W252 HydrophobicContact CD-CD2 3.94Å; K191-W252 HydrophobicContact CD-CG 4.08Å; K191-W252 HydrophobicContact CD-CZ2 4.26Å; K191-W252 HydrophobicContact CG-CD2 4.37Å
192	A	88.6	Confident	88.2	Confident	5 Å²	5	43.4 Å²	43.4	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.6	176	0	0	0	0	0	111.9	Y165 F166 N194 I196 F249	Y165-A192 CarbonylContact O-C 3.53Å; Y165-A192 WeakPolarHBondContact O-CA 3.22Å; F166-A192 HydrophobicContact CE1-CB 4.28Å; A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.17Å; A192-I196 HydrophobicContact CB-CB 4.44Å; A192-I196 HydrophobicContact CB-CD1 3.14Å; A192-I196 HydrophobicContact CB-CG1 3.51Å; A192-F249 HydrophobicContact CB-CB 4.41Å; A192-F249 VanDerWaalsContact CB-O 3.27Å; A192-F249 WeakPolarHBondContact CB-O 3.41Å; A192-F249 PolarHBondContact N-O 2.86Å
193	S	78.3	Confident	88.2	Confident	52 Å²	52	41.2 Å²	41.2	36%	0.364	24%	0.237	S	C	.	.	S	Bend	trans	-72.7	-19.5	-177.3	-55.3	0	0	0	0	113.1	Y165 Q167	Y165-S193 WeakPolarHBondContact O-CB 3.21Å; Y165-S193 PolarHBondContact O-N 3.39Å; Y165-S193 PolarHBondContact O-OG 3.46Å; Q167-S193 PolarHBondContact N-OG 3.4Å
194	N	71.9	Confident	88.3	Confident	87 Å²	87	40.6 Å²	40.6	47%	0.465	23%	0.232	S	C	.	.	S	Bend	trans	-124.3	159.1	177.4	-63.6	-31.4	0	0	0	109.2	A15 A192 I196	A15-N194 HydrophobicContact CB-CB 3.85Å; A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.17Å; N194-I196 VanDerWaalsContact C-N 3.3Å; N194-I196 PolarHBondContact O-N 3.16Å
195	A	66.4	Low	88.3	Confident	102 Å²	102	37.1 Å²	37.1	84%	0.843	21%	0.21	S	C	*	.			trans	-63.3	92.7	173.4	0	0	0	0	0	109.4
196	I	73.7	Confident	88.1	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.062	21%	0.207	C	C	.	.			trans	-63.7	147.7	165.1	-65.8	-177.1	0	0	0	107.1	F166 A192 N194 D198 F206 F249	F166-I196 HydrophobicContact CZ-CD1 4.15Å; A192-I196 HydrophobicContact CB-CB 4.44Å; A192-I196 HydrophobicContact CB-CD1 3.14Å; A192-I196 HydrophobicContact CB-CG1 3.51Å; N194-I196 VanDerWaalsContact C-N 3.3Å; N194-I196 PolarHBondContact O-N 3.16Å; I196-D198 PolarHBondContact O-N 2.78Å; I196-F206 HydrophobicContact CB-CE2 4.49Å; I196-F206 HydrophobicContact CD1-CD2 4.11Å; I196-F206 HydrophobicContact CD1-CE1 4.25Å; I196-F206 HydrophobicContact CD1-CE2 3.75Å; I196-F206 HydrophobicContact CD1-CZ 3.83Å; I196-F206 HydrophobicContact CG1-CE2 4.31Å; I196-F206 HydrophobicContact CG1-CZ 4.45Å; I196-F206 HydrophobicContact CG2-CD2 3.9Å; I196-F206 HydrophobicContact CG2-CE2 3.39Å; I196-F206 HydrophobicContact CG2-CZ 4.26Å; I196-F249 HydrophobicContact CD1-CB 4.25Å
197	S	74.6	Confident	88.1	Confident	56 Å²	56	33.6 Å²	33.6	39%	0.392	19%	0.193	S	C	.	.			trans	-49.7	137.8	173.1	178.4	0	0	0	0	111.1	D199 N203	S197-D199 PolarHBondContact O-N 3.27Å; S197-D199 VanDerWaalsContact O-N 3.12Å; S197-D199 WeakPolarHBondContact OG-CB 3.38Å; S197-D199 PolarHBondContact OG-N 3.31Å; S197-N203 PolarHBondContact O-ND2 2.87Å
198	D	85.3	Confident	88.1	Confident	131 Å²	131	33.1 Å²	33.1	70%	0.701	19%	0.191	S	C	*	.			trans	-70.8	4.1	168.7	-62.6	-35.7	0	0	0	112.3	I196 L200 N248	I196-D198 PolarHBondContact O-N 2.78Å; D198-L200 PolarHBondContact O-N 2.9Å; D198-N248 PolarHBondContact OD1-ND2 3Å
199	D	90.1	Very high	87.9	Confident	56 Å²	56	33.7 Å²	33.7	30%	0.299	19%	0.193	S	C	.	.			trans	-62.8	115.3	173.3	-173.5	-16	0	0	0	110.5	S197 R201 M202 N203	S197-D199 PolarHBondContact O-N 3.27Å; S197-D199 VanDerWaalsContact O-N 3.12Å; S197-D199 WeakPolarHBondContact OG-CB 3.38Å; S197-D199 PolarHBondContact OG-N 3.31Å; D199-R201 VanDerWaalsContact C-N 3.26Å; D199-R201 PolarHBondContact O-N 3.04Å; D199-R201 VanDerWaalsContact OD1-CB 3.31Å; D199-R201 WeakPolarHBondContact OD1-CB 3.5Å; D199-R201 PolarHBondContact OD1-N 2.96Å; D199-R201 IonicContact OD1-NE 3.35Å; D199-R201 IonicContact OD2-NE 3.28Å; D199-M202 HydrophobicContact CB-CB 4.22Å; D199-M202 WeakPolarHBondContact O-CB 3.25Å; D199-M202 PolarHBondContact O-N 2.89Å; D199-M202 VanDerWaalsContact O-N 3.14Å; D199-N203 PolarHBondContact O-N 2.91Å; D199-N203 VanDerWaalsContact O-N 3.07Å; D199-N203 PolarHBondContact O-ND2 3.06Å
200	L	93.1	Very high	87.8	Confident	30 Å²	30	33.7 Å²	33.7	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-54.1	-41.2	176.7	178.8	62.3	0	0	0	112	Q70 D198 M202 N203 Q204 L247	Q70-L200 HydrophobicContact CG-CD2 4.16Å; D198-L200 PolarHBondContact O-N 2.9Å; L200-M202 VanDerWaalsContact C-N 3.26Å; L200-M202 PolarHBondContact O-N 2.86Å; L200-N203 PolarHBondContact O-N 3.09Å; L200-Q204 HydrophobicContact CD1-CG 4.1Å; L200-Q204 HydrophobicContact CG-CG 4.26Å; L200-Q204 WeakPolarHBondContact O-CB 3.31Å; L200-Q204 VanDerWaalsContact O-CG 3.28Å; L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.31Å; L200-L247 HydrophobicContact CD1-CB 4.01Å
201	R	93.8	Very high	87.9	Confident	77 Å²	77	33.7 Å²	33.7	29%	0.291	19%	0.194	S	C	.	.	H	α-helix	trans	-59.5	-41.7	-179.3	-67.2	-173.4	-74.3	-151.4	-6.7	111.2	M59 M62 D67 D199 Q204 C205	M59-R201 HydrophobicContact SD-CB 4.36Å; M62-R201 HydrophobicContact CE-CB 4.44Å; M62-R201 HydrophobicContact SD-CB 3.61Å; M62-R201 HydrophobicContact SD-CG 3.66Å; D67-R201 IonicContact OD1-CZ 3.36Å; D67-R201 IonicContact OD1-NH1 3.8Å; D67-R201 PolarHBondContact OD1-NH1 2.88Å; D67-R201 IonicContact OD1-NH2 3.98Å; D199-R201 VanDerWaalsContact C-N 3.26Å; D199-R201 PolarHBondContact O-N 3.04Å; D199-R201 VanDerWaalsContact OD1-CB 3.31Å; D199-R201 WeakPolarHBondContact OD1-CB 3.5Å; D199-R201 PolarHBondContact OD1-N 2.96Å; D199-R201 IonicContact OD1-NE 3.35Å; D199-R201 IonicContact OD2-NE 3.28Å; R201-Q204 PolarHBondContact O-N 3.42Å; R201-C205 PolarHBondContact O-N 3.2Å; R201-C205 VanDerWaalsContact O-N 3.11Å; R201-C205 PolarHBondContact O-SG 3.3Å
202	M	91.6	Very high	88	Confident	13 Å²	13	30.8 Å²	30.8	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-45.7	177.8	-167.1	64.5	55.5	0	0	111.3	I19 D199 L200 Q204 C205 F206	I19-M202 HydrophobicContact CG1-SD 4.46Å; I19-M202 HydrophobicContact CG2-CE 3.81Å; I19-M202 HydrophobicContact CG2-SD 4.04Å; D199-M202 HydrophobicContact CB-CB 4.22Å; D199-M202 WeakPolarHBondContact O-CB 3.25Å; D199-M202 PolarHBondContact O-N 2.89Å; D199-M202 VanDerWaalsContact O-N 3.14Å; L200-M202 VanDerWaalsContact C-N 3.26Å; L200-M202 PolarHBondContact O-N 2.86Å; M202-Q204 VanDerWaalsContact C-N 3.29Å; M202-Q204 PolarHBondContact O-N 3.35Å; M202-C205 WeakPolarHBondContact O-CB 3.38Å; M202-C205 PolarHBondContact O-N 3.49Å; M202-C205 VanDerWaalsContact O-N 3.11Å; M202-F206 HydrophobicContact CG-CD2 3.9Å; M202-F206 HydrophobicContact CG-CE2 3.48Å; M202-F206 VanDerWaalsContact CG-CE2 3.48Å; M202-F206 HydrophobicContact CG-CZ 4.47Å; M202-F206 WeakPolarHBondContact O-CD2 3.17Å; M202-F206 PolarHBondContact O-N 3.09Å; M202-F206 HydrophobicContact SD-CE2 4.19Å
203	N	93.9	Very high	88.1	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-34.7	178.1	-78.6	-79.8	0	0	0	112.4	S197 D199 L200 F206 A207 L247 N248 F249	S197-N203 PolarHBondContact O-ND2 2.87Å; D199-N203 PolarHBondContact O-N 2.91Å; D199-N203 VanDerWaalsContact O-N 3.07Å; D199-N203 PolarHBondContact O-ND2 3.06Å; L200-N203 PolarHBondContact O-N 3.09Å; N203-F206 PolarHBondContact O-N 2.55Å; N203-A207 PolarHBondContact O-N 2.63Å; N203-L247 HydrophobicContact CB-CB 4.45Å; N203-L247 HydrophobicContact CB-CD2 4.29Å; N203-L247 HydrophobicContact CB-CG 4.02Å; N203-L247 WeakPolarHBondContact CB-O 3.26Å; N203-L247 WeakPolarHBondContact O-CD2 3.43Å; N203-N248 WeakPolarHBondContact OD1-CA 3.42Å; N203-F249 HydrophobicContact CB-CD2 4.48Å; N203-F249 WeakPolarHBondContact O-CE2 3.23Å; N203-F249 PolarHBondContact OD1-N 3.36Å
204	Q	95.5	Very high	88.8	Confident	5 Å²	5	28.1 Å²	28.1	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-41.3	171.5	-71.7	-178	-37.1	0	0	111.8	M58 M62 M71 L200 R201 M202 A207 S208 F242 L247	M58-Q204 HydrophobicContact CE-CB 4.03Å; M58-Q204 WeakPolarHBondContact CE-O 3.39Å; M62-Q204 HydrophobicContact CE-CB 4.27Å; M62-Q204 VanDerWaalsContact CE-OE1 3.28Å; M71-Q204 HydrophobicContact CE-CB 3.87Å; M71-Q204 HydrophobicContact CE-CG 4.27Å; M71-Q204 PolarHBondContact O-NE2 3.12Å; L200-Q204 HydrophobicContact CD1-CG 4.1Å; L200-Q204 HydrophobicContact CG-CG 4.26Å; L200-Q204 WeakPolarHBondContact O-CB 3.31Å; L200-Q204 VanDerWaalsContact O-CG 3.28Å; L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.31Å; R201-Q204 PolarHBondContact O-N 3.42Å; M202-Q204 VanDerWaalsContact C-N 3.29Å; M202-Q204 PolarHBondContact O-N 3.35Å; Q204-A207 PolarHBondContact O-N 3.35Å; Q204-S208 PolarHBondContact O-N 3.26Å; Q204-S208 PolarHBondContact O-OG 3.34Å; Q204-F242 HydrophobicContact CB-CD1 4.24Å; Q204-F242 HydrophobicContact CB-CE1 3.76Å; Q204-F242 HydrophobicContact CB-CZ 4.07Å; Q204-F242 HydrophobicContact CG-CD1 3.7Å; Q204-F242 HydrophobicContact CG-CE1 3.77Å; Q204-F242 HydrophobicContact CG-CG 4.25Å; Q204-F242 HydrophobicContact CG-CZ 4.39Å; Q204-L247 HydrophobicContact CG-CD2 4.24Å
205	C	93.9	Very high	89.9	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-44.9	173.7	-65.9	0	0	0	0	112	S55 M58 M59 R201 M202 A207 S208 Q209	S55-C205 PolarHBondContact OG-O 3.42Å; M58-C205 HydrophobicContact CE-CB 4.49Å; M59-C205 WeakPolarHBondContact CG-SG 3.45Å; M59-C205 VanDerWaalsContact SD-SG 3.61Å; R201-C205 PolarHBondContact O-N 3.2Å; R201-C205 VanDerWaalsContact O-N 3.11Å; R201-C205 PolarHBondContact O-SG 3.3Å; M202-C205 WeakPolarHBondContact O-CB 3.38Å; M202-C205 PolarHBondContact O-N 3.49Å; M202-C205 VanDerWaalsContact O-N 3.11Å; C205-A207 VanDerWaalsContact C-N 3.32Å; C205-A207 PolarHBondContact O-N 3.26Å; C205-S208 PolarHBondContact O-N 2.6Å; C205-Q209 PolarHBondContact O-N 3.22Å
206	F	91.7	Very high	91.1	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-57.3	-46.1	173.4	-78.6	-61.9	0	0	0	111.9	I18 I19 L22 M162 F166 I196 M202 N203 S208 Q209 I210 F249	I18-F206 HydrophobicContact CG2-CE1 3.47Å; I18-F206 VanDerWaalsContact CG2-CE1 3.47Å; I18-F206 HydrophobicContact CG2-CZ 3.96Å; I19-F206 HydrophobicContact CG1-CE2 4.23Å; I19-F206 HydrophobicContact CG1-CZ 3.87Å; L22-F206 HydrophobicContact CD1-CD1 3.66Å; L22-F206 HydrophobicContact CD1-CE1 3.5Å; L22-F206 VanDerWaalsContact CD1-CE1 3.5Å; L22-F206 HydrophobicContact CD1-CG 4.4Å; L22-F206 HydrophobicContact CD1-CZ 4.08Å; M162-F206 HydrophobicContact SD-CD1 4.14Å; M162-F206 HydrophobicContact SD-CE1 4.48Å; F166-F206 HydrophobicContact CE2-CD1 4.33Å; F166-F206 HydrophobicContact CZ-CD1 4.15Å; I196-F206 HydrophobicContact CB-CE2 4.49Å; I196-F206 HydrophobicContact CD1-CD2 4.11Å; I196-F206 HydrophobicContact CD1-CE1 4.25Å; I196-F206 HydrophobicContact CD1-CE2 3.75Å; I196-F206 HydrophobicContact CD1-CZ 3.83Å; I196-F206 HydrophobicContact CG1-CE2 4.31Å; I196-F206 HydrophobicContact CG1-CZ 4.45Å; I196-F206 HydrophobicContact CG2-CD2 3.9Å; I196-F206 HydrophobicContact CG2-CE2 3.39Å; I196-F206 HydrophobicContact CG2-CZ 4.26Å; M202-F206 HydrophobicContact CG-CD2 3.9Å; M202-F206 HydrophobicContact CG-CE2 3.48Å; M202-F206 VanDerWaalsContact CG-CE2 3.48Å; M202-F206 HydrophobicContact CG-CZ 4.47Å; M202-F206 WeakPolarHBondContact O-CD2 3.17Å; M202-F206 PolarHBondContact O-N 3.09Å; M202-F206 HydrophobicContact SD-CE2 4.19Å; N203-F206 PolarHBondContact O-N 2.55Å; F206-S208 PolarHBondContact O-N 3.46Å; F206-Q209 PolarHBondContact O-N 3.39Å; F206-I210 HydrophobicContact CB-CD1 4.42Å; F206-I210 WeakPolarHBondContact O-CB 3.28Å; F206-I210 WeakPolarHBondContact O-CD1 3.38Å; F206-I210 WeakPolarHBondContact O-CG1 3.24Å; F206-I210 PolarHBondContact O-N 3.04Å; F206-F249 HydrophobicContact CB-CD2 3.7Å; F206-F249 HydrophobicContact CB-CE2 3.78Å
207	A	95.1	Very high	91.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-49.1	178	0	0	0	0	0	111.5	N203 Q204 C205 Q209 I210 T211 F242 L247 F249 L273 V282	N203-A207 PolarHBondContact O-N 2.63Å; Q204-A207 PolarHBondContact O-N 3.35Å; C205-A207 VanDerWaalsContact C-N 3.32Å; C205-A207 PolarHBondContact O-N 3.26Å; A207-Q209 VanDerWaalsContact C-N 3.32Å; A207-Q209 PolarHBondContact O-N 2.88Å; A207-I210 PolarHBondContact O-N 3.09Å; A207-T211 WeakPolarHBondContact O-CB 3.33Å; A207-T211 WeakPolarHBondContact O-CG2 3.45Å; A207-T211 PolarHBondContact O-N 2.92Å; A207-T211 PolarHBondContact O-OG1 3.07Å; A207-F242 HydrophobicContact CB-CE1 3.96Å; A207-L247 HydrophobicContact CB-CD2 3.73Å; A207-F249 HydrophobicContact CB-CE2 3.91Å; A207-F249 HydrophobicContact CB-CZ 4.07Å; A207-L273 HydrophobicContact CB-CD1 3.81Å; A207-V282 HydrophobicContact CB-CG2 4.2Å
208	S	95.2	Very high	92.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-38.8	177.9	-69.4	0	0	0	0	113.2	M58 Q204 C205 F206 T211 H212 D240	M58-S208 VanDerWaalsContact SD-CB 3.59Å; M58-S208 PolarHBondContact SD-OG 3.34Å; Q204-S208 PolarHBondContact O-N 3.26Å; Q204-S208 PolarHBondContact O-OG 3.34Å; C205-S208 PolarHBondContact O-N 2.6Å; F206-S208 PolarHBondContact O-N 3.46Å; S208-T211 WeakPolarHBondContact CA-OG1 3.32Å; S208-T211 PolarHBondContact O-OG1 2.81Å; S208-H212 VanDerWaalsContact O-CB 3.27Å; S208-H212 WeakPolarHBondContact O-CB 3.5Å; S208-H212 PolarHBondContact O-N 3.03Å; S208-H212 VanDerWaalsContact O-N 3.08Å; S208-D240 WeakPolarHBondContact CA-OD2 3.27Å; S208-D240 WeakPolarHBondContact CB-OD2 3.35Å; S208-D240 PolarHBondContact OG-OD2 3.17Å
209	Q	91.7	Very high	92.9	Very high	13 Å²	13	11.4 Å²	11.4	6%	0.061	5%	0.053	C	C	.	.	H	α-helix	trans	-69.2	-39.2	176.1	-165.5	176.8	16.7	0	0	112.4	M162 C205 F206 A207 N213	M162-Q209 HydrophobicContact CE-CB 3.84Å; M162-Q209 HydrophobicContact CE-CG 3.49Å; M162-Q209 VanDerWaalsContact CE-CG 3.49Å; M162-Q209 HydrophobicContact SD-CB 4.24Å; M162-Q209 VanDerWaalsContact SD-CD 3.51Å; M162-Q209 HydrophobicContact SD-CG 4.01Å; M162-Q209 PolarHBondContact SD-OE1 3.49Å; C205-Q209 PolarHBondContact O-N 3.22Å; F206-Q209 PolarHBondContact O-N 3.39Å; A207-Q209 VanDerWaalsContact C-N 3.32Å; A207-Q209 PolarHBondContact O-N 2.88Å; Q209-N213 WeakPolarHBondContact O-CB 3.49Å; Q209-N213 PolarHBondContact O-N 3.05Å; Q209-N213 PolarHBondContact O-ND2 3.36Å
210	I	92.8	Very high	92.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.8	-51.4	176.9	-72.8	164.2	0	0	0	110.1	L159 M162 F166 L190 F206 A207 H212 N213 L214 F249	L159-I210 HydrophobicContact CD2-CB 4.41Å; L159-I210 HydrophobicContact CD2-CG1 4.2Å; L159-I210 HydrophobicContact CD2-CG2 4.1Å; M162-I210 HydrophobicContact CE-CG1 3.8Å; F166-I210 HydrophobicContact CE1-CD1 3.76Å; F166-I210 HydrophobicContact CE2-CD1 4.42Å; F166-I210 HydrophobicContact CZ-CD1 3.71Å; L190-I210 HydrophobicContact CD1-CD1 4.47Å; L190-I210 HydrophobicContact CD1-CG2 3.5Å; L190-I210 VanDerWaalsContact CD1-CG2 3.5Å; F206-I210 HydrophobicContact CB-CD1 4.42Å; F206-I210 WeakPolarHBondContact O-CB 3.28Å; F206-I210 WeakPolarHBondContact O-CD1 3.38Å; F206-I210 WeakPolarHBondContact O-CG1 3.24Å; F206-I210 PolarHBondContact O-N 3.04Å; A207-I210 PolarHBondContact O-N 3.09Å; I210-H212 PolarHBondContact O-N 2.82Å; I210-N213 PolarHBondContact O-N 2.84Å; I210-L214 HydrophobicContact CG2-CD1 3.56Å; I210-L214 HydrophobicContact CG2-CG 4.17Å; I210-L214 VanDerWaalsContact O-CB 3.25Å; I210-L214 WeakPolarHBondContact O-CB 3.15Å; I210-L214 WeakPolarHBondContact O-CG 3.25Å; I210-L214 PolarHBondContact O-N 3.25Å; I210-F249 HydrophobicContact CD1-CD1 4.03Å; I210-F249 HydrophobicContact CD1-CD2 4.44Å; I210-F249 HydrophobicContact CD1-CE1 3.49Å; I210-F249 VanDerWaalsContact CD1-CE1 3.49Å; I210-F249 HydrophobicContact CD1-CE2 3.97Å; I210-F249 HydrophobicContact CD1-CG 4.47Å; I210-F249 HydrophobicContact CD1-CZ 3.45Å; I210-F249 VanDerWaalsContact CD1-CZ 3.45Å
211	T	96	Very high	92.3	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-61.1	-45.4	-178.2	54.1	0	0	0	0	110.5	A207 S208 N213 L214 M215 H238 D240 C271 L273 A284	A207-T211 WeakPolarHBondContact O-CB 3.33Å; A207-T211 WeakPolarHBondContact O-CG2 3.45Å; A207-T211 PolarHBondContact O-N 2.92Å; A207-T211 PolarHBondContact O-OG1 3.07Å; S208-T211 WeakPolarHBondContact CA-OG1 3.32Å; S208-T211 PolarHBondContact O-OG1 2.81Å; T211-N213 PolarHBondContact O-N 3.24Å; T211-L214 PolarHBondContact O-N 3.48Å; T211-M215 WeakPolarHBondContact O-CB 3.21Å; T211-M215 VanDerWaalsContact O-CG 3.28Å; T211-M215 WeakPolarHBondContact O-CG 3.35Å; T211-M215 PolarHBondContact O-N 2.89Å; T211-H238 PolarHBondContact OG1-CE1 3.39Å; T211-H238 PolarHBondContact OG1-NE2 2.95Å; T211-D240 PolarHBondContact OG1-OD1 3.48Å; T211-C271 HydrophobicContact CG2-CB 4.41Å; T211-L273 HydrophobicContact CG2-CD1 3.93Å; T211-L273 HydrophobicContact CG2-CD2 4.41Å; T211-L273 HydrophobicContact CG2-CG 4.06Å; T211-A284 HydrophobicContact CG2-CB 3.92Å
212	H	94.7	Very high	91.8	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-54.3	-53.9	175.4	177.2	93.2	0	0	0	112.4	A47 G51 F78 S208 I210 L214 M215 F216 H238 Q286	A47-H212 PolarHBondContact O-NE2 3.34Å; G51-H212 PolarHBondContact N-CD2 3.41Å; G51-H212 VanDerWaalsContact N-CD2 3.25Å; G51-H212 VanDerWaalsContact N-CG 3.33Å; F78-H212 AromaticContact CE2-CE1 3.91Å; F78-H212 AromaticContact CE2-ND1 3.98Å; F78-H212 AromaticContact CZ-CE1 3.68Å; F78-H212 AromaticContact CZ-ND1 3.71Å; S208-H212 VanDerWaalsContact O-CB 3.27Å; S208-H212 WeakPolarHBondContact O-CB 3.5Å; S208-H212 PolarHBondContact O-N 3.03Å; S208-H212 VanDerWaalsContact O-N 3.08Å; I210-H212 PolarHBondContact O-N 2.82Å; H212-L214 PolarHBondContact O-N 2.78Å; H212-M215 PolarHBondContact O-N 3.49Å; H212-F216 VanDerWaalsContact O-CB 3.28Å; H212-F216 WeakPolarHBondContact O-CB 3.28Å; H212-F216 PolarHBondContact O-N 3.5Å; H212-H238 PolarHBondContact N-CE1 3.43Å; H212-Q286 PolarHBondContact ND1-OE1 3.46Å; H212-Q286 PolarHBondContact O-NE2 3.27Å; H212-Q286 PolarHBondContact O-OE1 3.08Å
213	N	91	Very high	91.2	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-64.5	-44.8	-176.7	-76.5	-21.2	0	0	0	111.8	L48 L158 L159 Q209 I210 T211 F216 H217	L48-N213 HydrophobicContact CD2-CB 4.43Å; L48-N213 WeakPolarHBondContact CD2-OD1 3.28Å; L48-N213 PolarHBondContact O-OD1 3.08Å; L158-N213 WeakPolarHBondContact O-CB 3.44Å; L159-N213 PolarHBondContact O-ND2 2.98Å; Q209-N213 WeakPolarHBondContact O-CB 3.49Å; Q209-N213 PolarHBondContact O-N 3.05Å; Q209-N213 PolarHBondContact O-ND2 3.36Å; I210-N213 PolarHBondContact O-N 2.84Å; T211-N213 PolarHBondContact O-N 3.24Å; N213-F216 PolarHBondContact O-N 3.46Å; N213-H217 PolarHBondContact O-CD2 2.76Å; N213-H217 PolarHBondContact O-N 3.1Å
214	L	92.9	Very high	90.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-65.7	-40.7	-179.5	-74.5	-175.5	0	0	0	113	L158 L159 L188 L190 I210 T211 H212 T218 S255	L158-L214 HydrophobicContact CB-CD2 3.94Å; L158-L214 HydrophobicContact CD1-CD2 4.42Å; L159-L214 HydrophobicContact CD2-CD1 4.43Å; L159-L214 HydrophobicContact CD2-CD2 3.87Å; L159-L214 HydrophobicContact CD2-CG 3.9Å; L188-L214 HydrophobicContact CD2-CD2 3.96Å; L190-L214 HydrophobicContact CD1-CD1 4.14Å; I210-L214 HydrophobicContact CG2-CD1 3.56Å; I210-L214 HydrophobicContact CG2-CG 4.17Å; I210-L214 VanDerWaalsContact O-CB 3.25Å; I210-L214 WeakPolarHBondContact O-CB 3.15Å; I210-L214 WeakPolarHBondContact O-CG 3.25Å; I210-L214 PolarHBondContact O-N 3.25Å; T211-L214 PolarHBondContact O-N 3.48Å; H212-L214 PolarHBondContact O-N 2.78Å; L214-T218 WeakPolarHBondContact O-CB 3.39Å; L214-T218 PolarHBondContact O-N 2.88Å; L214-T218 PolarHBondContact O-OG1 2.83Å; L214-S255 VanDerWaalsContact CD1-OG 3.3Å; L214-S255 WeakPolarHBondContact CD1-OG 3.48Å
215	M	94.6	Very high	89	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.7	-43.4	176.2	-77	-166.8	-60.7	0	0	111.1	T211 H212 H217 T218 A219 H238 S269 C271 A284 Q286	T211-M215 WeakPolarHBondContact O-CB 3.21Å; T211-M215 VanDerWaalsContact O-CG 3.28Å; T211-M215 WeakPolarHBondContact O-CG 3.35Å; T211-M215 PolarHBondContact O-N 2.89Å; H212-M215 PolarHBondContact O-N 3.49Å; M215-H217 VanDerWaalsContact C-N 3.32Å; M215-H217 PolarHBondContact O-N 2.92Å; M215-T218 WeakPolarHBondContact O-CB 3.19Å; M215-T218 PolarHBondContact O-N 3.01Å; M215-T218 VanDerWaalsContact O-N 3.1Å; M215-A219 WeakPolarHBondContact O-CB 3.25Å; M215-A219 PolarHBondContact O-N 3.24Å; M215-H238 WeakPolarHBondContact CE-CE1 3.28Å; M215-H238 WeakPolarHBondContact CE-ND1 3.28Å; M215-S269 VanDerWaalsContact CB-OG 3.28Å; M215-S269 WeakPolarHBondContact CB-OG 3.42Å; M215-S269 PolarHBondContact O-OG 3.47Å; M215-C271 HydrophobicContact CG-CB 3.66Å; M215-C271 HydrophobicContact SD-CB 3.82Å; M215-A284 HydrophobicContact CE-CB 3.69Å; M215-A284 HydrophobicContact SD-CB 4.06Å; M215-Q286 HydrophobicContact CB-CB 4.02Å; M215-Q286 HydrophobicContact CB-CG 4.41Å; M215-Q286 HydrophobicContact CE-CB 3.48Å; M215-Q286 VanDerWaalsContact CE-CB 3.48Å; M215-Q286 HydrophobicContact SD-CB 3.87Å
216	F	91.8	Very high	87.8	Confident	11 Å²	11	25 Å²	25	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-54.8	-48.8	173.4	-173.6	-91.7	0	0	0	111.2	A47 L48 H212 N213 T218 A219 M220 A233 T288	A47-F216 HydrophobicContact CB-CD2 4.42Å; A47-F216 HydrophobicContact CB-CE1 4.16Å; A47-F216 HydrophobicContact CB-CE2 3.6Å; A47-F216 HydrophobicContact CB-CZ 3.44Å; A47-F216 VanDerWaalsContact CB-CZ 3.44Å; L48-F216 HydrophobicContact CD2-CD1 4.33Å; H212-F216 VanDerWaalsContact O-CB 3.28Å; H212-F216 WeakPolarHBondContact O-CB 3.28Å; H212-F216 PolarHBondContact O-N 3.5Å; N213-F216 PolarHBondContact O-N 3.46Å; F216-T218 VanDerWaalsContact C-N 3.35Å; F216-T218 PolarHBondContact O-N 3.1Å; F216-A219 PolarHBondContact O-N 2.91Å; F216-M220 HydrophobicContact CD1-CG 4.08Å; F216-M220 HydrophobicContact CE1-CG 3.81Å; F216-M220 HydrophobicContact CZ-CG 4.17Å; F216-M220 HydrophobicContact CZ-SD 4.45Å; F216-M220 WeakPolarHBondContact O-CB 3.13Å; F216-M220 WeakPolarHBondContact O-CG 3.37Å; F216-M220 PolarHBondContact O-N 3.38Å; F216-A233 HydrophobicContact CE2-CB 4.1Å; F216-A233 HydrophobicContact CZ-CB 3.85Å; F216-T288 HydrophobicContact CD2-CG2 3.52Å; F216-T288 HydrophobicContact CE2-CG2 3.51Å; F216-T288 HydrophobicContact CG-CG2 4.4Å; F216-T288 HydrophobicContact CZ-CG2 4.39Å
217	H	88.2	Confident	86.5	Confident	20 Å²	20	31.9 Å²	31.9	9%	0.093	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-39.5	177.3	-83.6	-65.3	0	0	0	113.4	L158 N213 M215 M220 K221	L158-H217 HydrophobicContact CD2-CB 3.91Å; L158-H217 PolarHBondContact O-CD2 2.85Å; L158-H217 VanDerWaalsContact O-CD2 3.28Å; N213-H217 PolarHBondContact O-CD2 2.76Å; N213-H217 PolarHBondContact O-N 3.1Å; M215-H217 VanDerWaalsContact C-N 3.32Å; M215-H217 PolarHBondContact O-N 2.92Å; H217-M220 PolarHBondContact O-N 3.32Å; H217-K221 WeakPolarHBondContact O-CG 3.24Å
218	T	91.6	Very high	85	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-47.6	176.2	-60.3	0	0	0	0	111.1	L214 M215 F216 M220 K221 L259	L214-T218 WeakPolarHBondContact O-CB 3.39Å; L214-T218 PolarHBondContact O-N 2.88Å; L214-T218 PolarHBondContact O-OG1 2.83Å; M215-T218 WeakPolarHBondContact O-CB 3.19Å; M215-T218 PolarHBondContact O-N 3.01Å; M215-T218 VanDerWaalsContact O-N 3.1Å; F216-T218 VanDerWaalsContact C-N 3.35Å; F216-T218 PolarHBondContact O-N 3.1Å; T218-M220 PolarHBondContact O-N 3.03Å; T218-K221 PolarHBondContact O-N 2.81Å; T218-L259 HydrophobicContact CG2-CB 3.92Å
219	A	91.3	Very high	83.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-27.5	177.1	0	0	0	0	0	113.3	M215 F216 K221 P222 F223 L259 T288	M215-A219 WeakPolarHBondContact O-CB 3.25Å; M215-A219 PolarHBondContact O-N 3.24Å; F216-A219 PolarHBondContact O-N 2.91Å; A219-K221 VanDerWaalsContact C-N 3.33Å; A219-K221 PolarHBondContact O-N 3.25Å; A219-P222 WeakPolarHBondContact O-CD 3.41Å; A219-F223 WeakPolarHBondContact O-CD2 3.22Å; A219-F223 WeakPolarHBondContact O-CE2 3.42Å; A219-L259 HydrophobicContact CB-CD1 4.28Å; A219-T288 HydrophobicContact CB-CG2 4.27Å
220	M	85.8	Confident	82.1	Confident	28 Å²	28	45.7 Å²	45.7	14%	0.138	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.1	179.5	-71.1	-54.7	-61.4	0	0	115.2	F216 H217 T218 F223 K224 V230 A233 T288 L290	F216-M220 HydrophobicContact CD1-CG 4.08Å; F216-M220 HydrophobicContact CE1-CG 3.81Å; F216-M220 HydrophobicContact CZ-CG 4.17Å; F216-M220 HydrophobicContact CZ-SD 4.45Å; F216-M220 WeakPolarHBondContact O-CB 3.13Å; F216-M220 WeakPolarHBondContact O-CG 3.37Å; F216-M220 PolarHBondContact O-N 3.38Å; H217-M220 PolarHBondContact O-N 3.32Å; T218-M220 PolarHBondContact O-N 3.03Å; M220-F223 HydrophobicContact CE-CB 4.2Å; M220-F223 HydrophobicContact CE-CD2 4.08Å; M220-F223 PolarHBondContact O-N 3.21Å; M220-F223 HydrophobicContact SD-CD2 3.82Å; M220-F223 HydrophobicContact SD-CE2 4.4Å; M220-K224 PolarHBondContact O-N 2.97Å; M220-V230 HydrophobicContact CE-CG1 4.21Å; M220-A233 HydrophobicContact CE-CB 3.81Å; M220-A233 HydrophobicContact SD-CB 3.28Å; M220-A233 WeakPolarHBondContact SD-CB 3.25Å; M220-T288 HydrophobicContact SD-CG2 4.18Å; M220-L290 HydrophobicContact CE-CD2 3.8Å; M220-L290 HydrophobicContact SD-CD2 3.95Å
221	K	86.1	Confident	80.7	Confident	82 Å²	82	47.6 Å²	47.6	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-51.8	-175.3	-66	-169.5	177.8	-151.2	0	114.1	E186 H217 T218 A219 F223 K224	E186-K221 WeakPolarHBondContact OE1-CE 3.01Å; E186-K221 IonicContact OE1-NZ 3.86Å; E186-K221 PolarHBondContact OE1-NZ 3.22Å; E186-K221 WeakPolarHBondContact OE2-CE 3.26Å; E186-K221 IonicContact OE2-NZ 2.58Å; E186-K221 PolarHBondContact OE2-NZ 3.43Å; H217-K221 WeakPolarHBondContact O-CG 3.24Å; T218-K221 PolarHBondContact O-N 2.81Å; A219-K221 VanDerWaalsContact C-N 3.33Å; A219-K221 PolarHBondContact O-N 3.25Å; K221-F223 PolarHBondContact O-N 2.81Å; K221-F223 VanDerWaalsContact O-N 3.1Å; K221-K224 WeakPolarHBondContact O-CB 3.3Å; K221-K224 PolarHBondContact O-N 3.09Å; K221-K224 VanDerWaalsContact O-N 3.08Å
222	P	83.1	Confident	79.9	Confident	51 Å²	51	49.1 Å²	49.1	33%	0.331	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-26.5	-178.2	-20	32.7	0	0	0	112.8	A219 S226 L259 A262	A219-P222 WeakPolarHBondContact O-CD 3.41Å; P222-S226 PolarHBondContact O-N 2.85Å; P222-L259 HydrophobicContact CG-CD2 3.35Å; P222-A262 HydrophobicContact CG-CB 4.05Å
223	F	77.9	Confident	79.4	Confident	20 Å²	20	49.4 Å²	49.4	9%	0.088	27%	0.266	C	S	.	.	H	α-helix	trans	-77.4	-29.4	180	-56.5	-51.2	0	0	0	112.9	A219 M220 K221 D225 S226 V230 L290	A219-F223 WeakPolarHBondContact O-CD2 3.22Å; A219-F223 WeakPolarHBondContact O-CE2 3.42Å; M220-F223 HydrophobicContact CE-CB 4.2Å; M220-F223 HydrophobicContact CE-CD2 4.08Å; M220-F223 PolarHBondContact O-N 3.21Å; M220-F223 HydrophobicContact SD-CD2 3.82Å; M220-F223 HydrophobicContact SD-CE2 4.4Å; K221-F223 PolarHBondContact O-N 2.81Å; K221-F223 VanDerWaalsContact O-N 3.1Å; F223-D225 VanDerWaalsContact C-N 3.25Å; F223-D225 PolarHBondContact O-N 2.85Å; F223-S226 WeakPolarHBondContact O-CB 3.34Å; F223-S226 PolarHBondContact O-N 2.92Å; F223-S226 VanDerWaalsContact O-N 3.16Å; F223-S226 PolarHBondContact O-OG 3.19Å; F223-S226 VanDerWaalsContact O-OG 3.07Å; F223-V230 HydrophobicContact CB-CG2 4.22Å; F223-L290 HydrophobicContact CB-CD2 4.38Å; F223-L290 HydrophobicContact CD1-CD1 3.63Å; F223-L290 HydrophobicContact CD1-CD2 4.34Å; F223-L290 HydrophobicContact CD1-CG 4.17Å; F223-L290 HydrophobicContact CD2-CD1 4.35Å; F223-L290 HydrophobicContact CD2-CD2 3.54Å; F223-L290 HydrophobicContact CD2-CG 4.08Å; F223-L290 HydrophobicContact CE1-CD1 3.79Å; F223-L290 HydrophobicContact CE1-CG 4.06Å; F223-L290 HydrophobicContact CE2-CD2 3.82Å; F223-L290 HydrophobicContact CE2-CG 4Å; F223-L290 HydrophobicContact CG-CD1 3.94Å; F223-L290 HydrophobicContact CG-CD2 3.85Å; F223-L290 HydrophobicContact CG-CG 4.18Å; F223-L290 HydrophobicContact CZ-CD1 4.24Å; F223-L290 HydrophobicContact CZ-CD2 4.32Å; F223-L290 HydrophobicContact CZ-CG 3.99Å
224	K	71.9	Confident	79.3	Confident	97 Å²	97	51.6 Å²	51.6	42%	0.422	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-33.7	173	-77.9	-173.8	173.9	-172.2	0	112.2	L3 M220 K221 S226	L3-K224 HydrophobicContact CD1-CD 4.32Å; L3-K224 HydrophobicContact CD1-CG 4.3Å; M220-K224 PolarHBondContact O-N 2.97Å; K221-K224 WeakPolarHBondContact O-CB 3.3Å; K221-K224 PolarHBondContact O-N 3.09Å; K221-K224 VanDerWaalsContact O-N 3.08Å; K224-S226 VanDerWaalsContact C-N 3.25Å
225	D	71.2	Confident	79.3	Confident	142 Å²	142	51.8 Å²	51.8	76%	0.759	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.1	178.5	-58.9	-27.8	0	0	0	112.3	F223	F223-D225 VanDerWaalsContact C-N 3.25Å; F223-D225 PolarHBondContact O-N 2.85Å
226	S	68.8	Low	79.3	Confident	47 Å²	47	53.7 Å²	53.7	33%	0.329	29%	0.291	S	S	.	.	S	Bend	trans	-78.2	144.1	178.3	98.1	0	0	0	0	111.3	P222 F223 K224 K228	P222-S226 PolarHBondContact O-N 2.85Å; F223-S226 WeakPolarHBondContact O-CB 3.34Å; F223-S226 PolarHBondContact O-N 2.92Å; F223-S226 VanDerWaalsContact O-N 3.16Å; F223-S226 PolarHBondContact O-OG 3.19Å; F223-S226 VanDerWaalsContact O-OG 3.07Å; K224-S226 VanDerWaalsContact C-N 3.25Å; S226-K228 PolarHBondContact O-N 2.69Å; S226-K228 PolarHBondContact OG-N 2.9Å; S226-K228 PolarHBondContact OG-O 3.24Å
227	T	64.2	Low	79.5	Confident	149 Å²	149	55.5 Å²	55.5	91%	0.914	30%	0.301	S	S	*	.	S	Bend	trans	-75.6	-2.3	174.9	56.1	0	0	0	0	113.7
228	K	64.7	Low	80	Confident	143 Å²	143	54.5 Å²	54.5	62%	0.622	30%	0.297	S	S	*	.	S	Bend	trans	-91.5	136.1	-176.9	-68.3	-174.4	179.6	178.3	0	110	S226 V230	S226-K228 PolarHBondContact O-N 2.69Å; S226-K228 PolarHBondContact OG-N 2.9Å; S226-K228 PolarHBondContact OG-O 3.24Å; K228-V230 PolarHBondContact O-N 2.71Å
229	D	62.6	Low	80.3	Confident	131 Å²	131	55.2 Å²	55.2	70%	0.701	30%	0.301	S	S	*	.			trans	-67	99	173.4	-90.8	-39.2	0	0	0	109.6	S231 Q293	D229-S231 PolarHBondContact O-N 3.28Å; D229-Q293 PolarHBondContact O-NE2 3.03Å; D229-Q293 VanDerWaalsContact O-NE2 3.07Å; D229-Q293 PolarHBondContact O-OE1 3.31Å
230	V	62.7	Low	80.7	Confident	29 Å²	29	55.2 Å²	55.2	18%	0.176	30%	0.301	C	S	.	.			trans	-75.2	114.9	171.5	179.4	0	0	0	0	108.4	L2 M220 F223 K228 L290	L2-V230 WeakPolarHBondContact CD1-O 3.24Å; M220-V230 HydrophobicContact CE-CG1 4.21Å; F223-V230 HydrophobicContact CB-CG2 4.22Å; K228-V230 PolarHBondContact O-N 2.71Å; V230-L290 HydrophobicContact CG1-CD1 4.09Å; V230-L290 HydrophobicContact CG1-CD2 3.49Å; V230-L290 VanDerWaalsContact CG1-CD2 3.49Å; V230-L290 HydrophobicContact CG1-CG 4.28Å; V230-L290 HydrophobicContact CG2-CD1 3.92Å
231	S	64.9	Low	81.3	Confident	40 Å²	40	57.9 Å²	57.9	28%	0.28	31%	0.31	S	S	.	.			trans	-74.3	-43.7	-177.2	63.8	0	0	0	0	111.4	L2 D229 E291 D292	L2-S231 VanDerWaalsContact CD1-O 3.28Å; L2-S231 WeakPolarHBondContact CD1-O 3.33Å; D229-S231 PolarHBondContact O-N 3.28Å; S231-E291 PolarHBondContact OG-O 3.07Å; S231-D292 PolarHBondContact OG-O 2.92Å
232	S	78.6	Confident	81.8	Confident	33 Å²	33	54.5 Å²	54.5	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	167.9	177.4	58.4	0	0	0	0	111.5	R81 E291	R81-S232 PolarHBondContact NH2-OG 2.97Å; S232-E291 PolarHBondContact O-N 3.16Å
233	A	84.4	Confident	82.4	Confident	7 Å²	7	56.1 Å²	56.1	6%	0.058	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.7	173.9	0	0	0	0	0	110.3	A47 F216 M220 T288 T289 L290	A47-A233 WeakPolarHBondContact CB-O 3.42Å; F216-A233 HydrophobicContact CE2-CB 4.1Å; F216-A233 HydrophobicContact CZ-CB 3.85Å; M220-A233 HydrophobicContact CE-CB 3.81Å; M220-A233 HydrophobicContact SD-CB 3.28Å; M220-A233 WeakPolarHBondContact SD-CB 3.25Å; A233-T288 HydrophobicContact CB-CG2 4.2Å; A233-T289 CarbonylContact C-O 3.44Å; A233-T289 VanDerWaalsContact CA-O 3.27Å; A233-T289 WeakPolarHBondContact CA-O 3.2Å; A233-L290 HydrophobicContact CB-CD2 3.77Å
234	I	89	Confident	82.9	Confident	47 Å²	47	57.3 Å²	57.3	24%	0.241	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.6	178.9	59.2	170.8	0	0	0	109.9	R81 T288 T289 E291	R81-I234 HydrophobicContact CG-CG2 4.3Å; I234-T288 CarbonylContact O-C 3.59Å; I234-T288 WeakPolarHBondContact O-CA 3.37Å; I234-T288 WeakPolarHBondContact O-CG2 3.47Å; I234-T289 PolarHBondContact N-O 3.36Å; I234-T289 PolarHBondContact O-N 2.86Å; I234-E291 HydrophobicContact CD1-CG 4.2Å; I234-E291 HydrophobicContact CG1-CG 4.21Å; I234-E291 HydrophobicContact CG2-CG 4.23Å; I234-E291 VanDerWaalsContact CG2-OE1 3.25Å; I234-E291 WeakPolarHBondContact CG2-OE1 3.34Å
235	A	92.7	Very high	83.4	Confident	6 Å²	6	54.9 Å²	54.9	5%	0.05	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.6	160.8	0	0	0	0	0	108.4	F78 Q286 E287	F78-A235 WeakPolarHBondContact CB-O 3.4Å; F78-A235 HydrophobicContact CD2-CB 3.75Å; F78-A235 WeakPolarHBondContact CD2-O 3.23Å; F78-A235 HydrophobicContact CE2-CB 3.71Å; A235-Q286 HydrophobicContact CB-CG 4.19Å; A235-E287 WeakPolarHBondContact CA-O 3.36Å
236	T	94.3	Very high	84.1	Confident	40 Å²	40	51.6 Å²	51.6	25%	0.245	28%	0.278	C	S	.	.	S	Bend	trans	-91.2	-37.6	175.5	44.9	0	0	0	0	110.7	F78 E287	F78-T236 PolarHBondContact N-O 2.97Å; T236-E287 PolarHBondContact N-O 3.5Å; T236-E287 WeakPolarHBondContact OG1-CB 3.06Å; T236-E287 PolarHBondContact OG1-O 3.07Å; T236-E287 PolarHBondContact OG1-OE2 3.46Å
237	D	96.9	Very high	85.4	Confident	48 Å²	48	49.9 Å²	49.9	26%	0.257	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.8	173.8	63.1	20.3	0	0	0	111.2	C76 Q286 E287	C76-D237 CarbonylContact O-C 3.57Å; C76-D237 WeakPolarHBondContact O-CA 3.27Å; C76-D237 VanDerWaalsContact O-CB 3.24Å; C76-D237 WeakPolarHBondContact O-CB 3.28Å; D237-Q286 WeakPolarHBondContact O-CG 3.22Å; D237-E287 PolarHBondContact OD1-N 3.1Å
238	H	97.7	Very high	86.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	135.3	167.3	176.5	77	0	0	0	109.3	C76 F78 T211 H212 M215 D240 Q286	C76-H238 PolarHBondContact N-O 2.92Å; C76-H238 PolarHBondContact O-N 3.28Å; C76-H238 PolarHBondContact SG-O 3.38Å; F78-H238 HydrophobicContact CE2-CB 3.79Å; F78-H238 HydrophobicContact CZ-CB 4.28Å; T211-H238 PolarHBondContact OG1-CE1 3.39Å; T211-H238 PolarHBondContact OG1-NE2 2.95Å; H212-H238 PolarHBondContact N-CE1 3.43Å; M215-H238 WeakPolarHBondContact CE-CE1 3.28Å; M215-H238 WeakPolarHBondContact CE-ND1 3.28Å; H238-D240 IonicContact CD2-OD2 3.9Å; H238-D240 IonicContact CE1-OD1 2.63Å; H238-D240 PolarHBondContact CE1-OD1 2.76Å; H238-D240 IonicContact CE1-OD2 3.09Å; H238-D240 IonicContact NE2-OD1 3.09Å; H238-D240 PolarHBondContact NE2-OD1 2.98Å; H238-D240 VanDerWaalsContact NE2-OD1 3.13Å; H238-D240 IonicContact NE2-OD2 3.49Å; H238-D240 PolarHBondContact NE2-OD2 2.98Å; H238-Q286 PolarHBondContact ND1-OE1 2.76Å; H238-Q286 VanDerWaalsContact ND1-OE1 3.16Å
239	C	98.4	Very high	88.1	Confident	20 Å²	20	38 Å²	38	14%	0.135	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.9	179.7	-61.3	0	0	0	0	110.3	I74 Q75 W241 A284 M285	I74-C239 VanDerWaalsContact O-CA 3.27Å; I74-C239 WeakPolarHBondContact O-CA 3.37Å; Q75-C239 HydrophobicContact CG-CB 4.42Å; C239-W241 HydrophobicContact CB-CE3 4.41Å; C239-W241 HydrophobicContact CB-CH2 3.62Å; C239-W241 HydrophobicContact CB-CZ2 4.43Å; C239-W241 HydrophobicContact CB-CZ3 3.6Å; C239-A284 CarbonylContact O-C 3.53Å; C239-A284 WeakPolarHBondContact O-CA 3.46Å; C239-A284 WeakPolarHBondContact O-CB 3.44Å; C239-M285 PolarHBondContact N-O 2.9Å; C239-M285 PolarHBondContact O-N 3.17Å
240	D	98.5	Very high	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.5	170.3	-58.4	-59.1	0	0	0	110.1	S73 I74 S208 T211 H238 F242 V282 S283 A284	S73-D240 CarbonylContact C-O 3.57Å; S73-D240 VanDerWaalsContact CA-O 3.23Å; S73-D240 WeakPolarHBondContact CA-O 3.44Å; I74-D240 HydrophobicContact CG2-CB 3.89Å; I74-D240 PolarHBondContact N-O 2.93Å; I74-D240 PolarHBondContact O-N 3.01Å; S208-D240 WeakPolarHBondContact CA-OD2 3.27Å; S208-D240 WeakPolarHBondContact CB-OD2 3.35Å; S208-D240 PolarHBondContact OG-OD2 3.17Å; T211-D240 PolarHBondContact OG1-OD1 3.48Å; H238-D240 IonicContact CD2-OD2 3.9Å; H238-D240 IonicContact CE1-OD1 2.63Å; H238-D240 PolarHBondContact CE1-OD1 2.76Å; H238-D240 IonicContact CE1-OD2 3.09Å; H238-D240 IonicContact NE2-OD1 3.09Å; H238-D240 PolarHBondContact NE2-OD1 2.98Å; H238-D240 VanDerWaalsContact NE2-OD1 3.13Å; H238-D240 IonicContact NE2-OD2 3.49Å; H238-D240 PolarHBondContact NE2-OD2 2.98Å; D240-F242 HydrophobicContact CB-CE2 3.75Å; D240-F242 HydrophobicContact CB-CZ 3.89Å; D240-V282 HydrophobicContact CB-CG1 4.24Å; D240-S283 CarbonylContact C-O 3.55Å; D240-S283 WeakPolarHBondContact CA-O 3.38Å; D240-A284 WeakPolarHBondContact OD1-CB 3.31Å
241	W	98.6	Very high	91	Very high	84 Å²	84	37.1 Å²	37.1	32%	0.318	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.6	167.6	-66.7	-95.3	0	0	0	109	H72 C239 H243 V282 S283 M285	H72-W241 CarbonylContact O-C 3.57Å; H72-W241 WeakPolarHBondContact O-CA 3.38Å; C239-W241 HydrophobicContact CB-CE3 4.41Å; C239-W241 HydrophobicContact CB-CH2 3.62Å; C239-W241 HydrophobicContact CB-CZ2 4.43Å; C239-W241 HydrophobicContact CB-CZ3 3.6Å; W241-H243 PolarHBondContact O-NE2 3Å; W241-V282 VanDerWaalsContact O-CA 3.28Å; W241-V282 WeakPolarHBondContact O-CA 3.15Å; W241-S283 PolarHBondContact N-O 3.35Å; W241-S283 PolarHBondContact O-N 3.43Å; W241-M285 HydrophobicContact CZ3-CG 4.21Å; W241-M285 HydrophobicContact CZ3-SD 4.46Å
242	F	97.7	Very high	92.5	Very high	10 Å²	10	36.5 Å²	36.5	4%	0.044	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.3	179.2	-56.4	-91.1	0	0	0	108.4	M58 M71 H72 I74 Q204 A207 D240 L247 V282	M58-F242 HydrophobicContact CE-CZ 4.22Å; M71-F242 HydrophobicContact CE-CD2 3.55Å; M71-F242 HydrophobicContact CE-CE1 4.41Å; M71-F242 HydrophobicContact CE-CE2 3.09Å; M71-F242 HydrophobicContact CE-CG 4.38Å; M71-F242 HydrophobicContact CE-CZ 3.59Å; M71-F242 HydrophobicContact SD-CE2 4.34Å; H72-F242 PolarHBondContact O-N 2.82Å; I74-F242 HydrophobicContact CG2-CE2 4.35Å; Q204-F242 HydrophobicContact CB-CD1 4.24Å; Q204-F242 HydrophobicContact CB-CE1 3.76Å; Q204-F242 HydrophobicContact CB-CZ 4.07Å; Q204-F242 HydrophobicContact CG-CD1 3.7Å; Q204-F242 HydrophobicContact CG-CE1 3.77Å; Q204-F242 HydrophobicContact CG-CG 4.25Å; Q204-F242 HydrophobicContact CG-CZ 4.39Å; A207-F242 HydrophobicContact CB-CE1 3.96Å; D240-F242 HydrophobicContact CB-CE2 3.75Å; D240-F242 HydrophobicContact CB-CZ 3.89Å; F242-L247 HydrophobicContact CD1-CD2 4.25Å; F242-L247 HydrophobicContact CE1-CD2 4.31Å; F242-V282 HydrophobicContact CD1-CG2 3.71Å; F242-V282 HydrophobicContact CE1-CG1 4.45Å; F242-V282 HydrophobicContact CE1-CG2 3.99Å
243	H	95.5	Very high	93.3	Very high	85 Å²	85	35 Å²	35	39%	0.394	18%	0.18	S	C	.	.			trans	-94.8	-27.3	-169.9	-52.2	-62.8	0	0	0	113.1	W241 L280 L281 S283	W241-H243 PolarHBondContact O-NE2 3Å; H243-L280 WeakPolarHBondContact CB-O 3.39Å; H243-L280 PolarHBondContact CD2-O 2.93Å; H243-L281 PolarHBondContact N-O 2.95Å; H243-S283 WeakPolarHBondContact NE2-CB 3.25Å; H243-S283 PolarHBondContact NE2-N 2.84Å; H243-S283 PolarHBondContact NE2-OG 2.89Å
244	Y	87	Confident	94	Very high	46 Å²	46	34.7 Å²	34.7	18%	0.18	18%	0.177	C	C	.	.			trans	-127	149.7	-176.6	-68.2	-83.5	0	0	0	112.2	E131 Q133 H246 Q279 L280	E131-Y244 WeakPolarHBondContact OE1-CE1 3.32Å; E131-Y244 PolarHBondContact OE1-OH 2.98Å; Q133-Y244 PolarHBondContact OE1-OH 3.43Å; Y244-H246 WeakPolarHBondContact CB-CE1 2.93Å; Y244-H246 AromaticContact CD1-CE1 3.62Å; Y244-H246 AromaticContact CG-CE1 3.5Å; Y244-H246 VanDerWaalsContact CG-CE1 3.5Å; Y244-H246 PolarHBondContact O-N 3.1Å; Y244-Q279 HydrophobicContact CE2-CB 4.34Å; Y244-L280 WeakPolarHBondContact CD2-O 3.41Å; Y244-L280 VanDerWaalsContact CE2-O 3.3Å; Y244-L280 WeakPolarHBondContact CE2-O 3.49Å
245	S	82.9	Confident	94.4	Very high	46 Å²	46	32.5 Å²	32.5	32%	0.322	17%	0.165	S	C	.	.	S	Bend	trans	-78.9	1	176.1	54.5	0	0	0	0	113.6	E125	E125-S245 WeakPolarHBondContact OE1-CB 3.5Å; E125-S245 PolarHBondContact OE1-OG 2.95Å
246	H	87	Confident	94.6	Very high	73 Å²	73	32.9 Å²	32.9	34%	0.338	17%	0.166	S	C	.	.			trans	-112.2	117	170.2	68	-84.8	0	0	0	108.7	Y244 Q279 L281	Y244-H246 WeakPolarHBondContact CB-CE1 2.93Å; Y244-H246 AromaticContact CD1-CE1 3.62Å; Y244-H246 AromaticContact CG-CE1 3.5Å; Y244-H246 VanDerWaalsContact CG-CE1 3.5Å; Y244-H246 PolarHBondContact O-N 3.1Å; H246-Q279 VanDerWaalsContact CE1-CD 3.48Å; H246-Q279 PolarHBondContact CE1-OE1 2.85Å; H246-Q279 PolarHBondContact NE2-OE1 2.89Å; H246-L281 VanDerWaalsContact NE2-CD2 3.31Å; H246-L281 WeakPolarHBondContact NE2-CD2 3.47Å; H246-L281 WeakPolarHBondContact O-CD2 3.33Å
247	L	94.5	Very high	94.7	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.052	16%	0.157	C	C	.	.			trans	-148.3	115	171.3	169.6	65	0	0	0	105.5	L200 N203 Q204 A207 F242 F249 L281 V282	L200-L247 HydrophobicContact CD1-CB 4.01Å; N203-L247 HydrophobicContact CB-CB 4.45Å; N203-L247 HydrophobicContact CB-CD2 4.29Å; N203-L247 HydrophobicContact CB-CG 4.02Å; N203-L247 WeakPolarHBondContact CB-O 3.26Å; N203-L247 WeakPolarHBondContact O-CD2 3.43Å; Q204-L247 HydrophobicContact CG-CD2 4.24Å; A207-L247 HydrophobicContact CB-CD2 3.73Å; F242-L247 HydrophobicContact CD1-CD2 4.25Å; F242-L247 HydrophobicContact CE1-CD2 4.31Å; L247-F249 HydrophobicContact CD1-CE2 4.08Å; L247-F249 HydrophobicContact CD1-CZ 4.29Å; L247-F249 HydrophobicContact CD2-CE2 4.48Å; L247-F249 HydrophobicContact CG-CE2 4.36Å; L247-L281 HydrophobicContact CD1-CB 4.13Å; L247-L281 HydrophobicContact CD1-CD1 3.6Å; L247-L281 HydrophobicContact CD1-CG 4.48Å; L247-V282 HydrophobicContact CD2-CG2 4.28Å
248	N	93.8	Very high	94.7	Very high	42 Å²	42	29.7 Å²	29.7	23%	0.225	15%	0.148	C	C	.	.			trans	-139.8	110.4	-174.5	-167.7	-16.1	0	0	0	111	D198 N203 G250 E251	D198-N248 PolarHBondContact OD1-ND2 3Å; N203-N248 WeakPolarHBondContact OD1-CA 3.42Å; N248-G250 PolarHBondContact O-N 3.03Å; N248-G250 WeakPolarHBondContact OD1-CA 3.41Å; N248-G250 PolarHBondContact OD1-N 3.21Å; N248-E251 PolarHBondContact O-N 2.93Å; N248-E251 VanDerWaalsContact O-N 3.15Å
249	F	93.5	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.7	175.8	-75.2	-73.2	0	0	0	113.8	F166 A192 I196 N203 F206 A207 I210 L247 E251 V253 L273	F166-F249 HydrophobicContact CE1-CB 3.95Å; F166-F249 AromaticContact CE1-CD1 3.76Å; F166-F249 HydrophobicContact CE1-CD1 3.76Å; F166-F249 HydrophobicContact CE1-CE1 4.49Å; F166-F249 AromaticContact CE1-CG 3.95Å; F166-F249 HydrophobicContact CE1-CG 3.95Å; F166-F249 HydrophobicContact CZ-CB 4.39Å; F166-F249 HydrophobicContact CZ-CG 4.4Å; A192-F249 HydrophobicContact CB-CB 4.41Å; A192-F249 VanDerWaalsContact CB-O 3.27Å; A192-F249 WeakPolarHBondContact CB-O 3.41Å; A192-F249 PolarHBondContact N-O 2.86Å; I196-F249 HydrophobicContact CD1-CB 4.25Å; N203-F249 HydrophobicContact CB-CD2 4.48Å; N203-F249 WeakPolarHBondContact O-CE2 3.23Å; N203-F249 PolarHBondContact OD1-N 3.36Å; F206-F249 HydrophobicContact CB-CD2 3.7Å; F206-F249 HydrophobicContact CB-CE2 3.78Å; A207-F249 HydrophobicContact CB-CE2 3.91Å; A207-F249 HydrophobicContact CB-CZ 4.07Å; I210-F249 HydrophobicContact CD1-CD1 4.03Å; I210-F249 HydrophobicContact CD1-CD2 4.44Å; I210-F249 HydrophobicContact CD1-CE1 3.49Å; I210-F249 VanDerWaalsContact CD1-CE1 3.49Å; I210-F249 HydrophobicContact CD1-CE2 3.97Å; I210-F249 HydrophobicContact CD1-CG 4.47Å; I210-F249 HydrophobicContact CD1-CZ 3.45Å; I210-F249 VanDerWaalsContact CD1-CZ 3.45Å; L247-F249 HydrophobicContact CD1-CE2 4.08Å; L247-F249 HydrophobicContact CD1-CZ 4.29Å; L247-F249 HydrophobicContact CD2-CE2 4.48Å; L247-F249 HydrophobicContact CG-CE2 4.36Å; F249-E251 CarbonylContact C-O 3.56Å; F249-E251 PolarHBondContact O-N 2.84Å; F249-V253 HydrophobicContact CD1-CB 4.09Å; F249-V253 HydrophobicContact CD1-CG2 3.87Å; F249-V253 HydrophobicContact CE1-CB 3.86Å; F249-V253 HydrophobicContact CE1-CG1 3.94Å; F249-V253 HydrophobicContact CE1-CG2 3.94Å; F249-L273 HydrophobicContact CZ-CD1 3.96Å
250	G	92.5	Very high	94.2	Very high	23 Å²	23	33 Å²	33	24%	0.237	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.7	161.4	0	0	0	0	0	112.6	K191 N248	K191-G250 WeakPolarHBondContact CE-O 3.35Å; K191-G250 PolarHBondContact NZ-O 2.8Å; N248-G250 PolarHBondContact O-N 3.03Å; N248-G250 WeakPolarHBondContact OD1-CA 3.41Å; N248-G250 PolarHBondContact OD1-N 3.21Å
251	E	93.4	Very high	93.9	Very high	120 Å²	120	39.2 Å²	39.2	56%	0.561	19%	0.188	S	C	*	.	S	Bend	trans	-102	171.1	171	-56.5	-168.5	159.9	0	0	111.6	N248 F249	N248-E251 PolarHBondContact O-N 2.93Å; N248-E251 VanDerWaalsContact O-N 3.15Å; F249-E251 CarbonylContact C-O 3.56Å; F249-E251 PolarHBondContact O-N 2.84Å
252	W	94.9	Very high	93.5	Very high	27 Å²	27	37.4 Å²	37.4	10%	0.102	19%	0.191	C	C	.	.			trans	-76.3	127.4	174.6	-75.3	111.7	0	0	0	110.3	P142 Q167 K169 W189 L190 K191 K276	P142-W252 HydrophobicContact CB-CD2 3.62Å; P142-W252 HydrophobicContact CB-CE3 4Å; P142-W252 HydrophobicContact CB-CG 3.91Å; P142-W252 HydrophobicContact CB-CZ2 4.19Å; P142-W252 HydrophobicContact CB-CZ3 4.44Å; P142-W252 HydrophobicContact CG-CB 3.97Å; P142-W252 HydrophobicContact CG-CD2 3.85Å; P142-W252 HydrophobicContact CG-CG 3.54Å; Q167-W252 HydrophobicContact CB-CH2 3.66Å; Q167-W252 HydrophobicContact CB-CZ3 4.17Å; K169-W252 HydrophobicContact CD-CH2 3.89Å; K169-W252 HydrophobicContact CD-CZ2 4.34Å; K169-W252 HydrophobicContact CD-CZ3 4.47Å; K169-W252 HydrophobicContact CG-CH2 4.09Å; K169-W252 HydrophobicContact CG-CZ3 4.45Å; W189-W252 HydrophobicContact CB-CE3 3.86Å; W189-W252 HydrophobicContact CB-CZ3 3.99Å; W189-W252 HydrophobicContact CE3-CB 3.91Å; W189-W252 HydrophobicContact CZ3-CB 4.07Å; L190-W252 WeakPolarHBondContact O-CA 3.41Å; K191-W252 HydrophobicContact CB-CD2 3.54Å; K191-W252 HydrophobicContact CB-CE3 3.34Å; K191-W252 HydrophobicContact CB-CG 4.2Å; K191-W252 HydrophobicContact CB-CH2 3.98Å; K191-W252 HydrophobicContact CB-CZ2 4.17Å; K191-W252 HydrophobicContact CB-CZ3 3.57Å; K191-W252 HydrophobicContact CD-CD2 3.94Å; K191-W252 HydrophobicContact CD-CG 4.08Å; K191-W252 HydrophobicContact CD-CZ2 4.26Å; K191-W252 HydrophobicContact CG-CD2 4.37Å; W252-K276 HydrophobicContact CB-CB 4.38Å; W252-K276 HydrophobicContact CB-CD 4.39Å; W252-K276 PolarHBondContact O-N 2.78Å
253	V	96.6	Very high	93	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.5	174.2	176.8	0	0	0	0	108.5	L190 F249 L273 W274 L281	L190-V253 PolarHBondContact N-O 2.82Å; L190-V253 PolarHBondContact O-N 3.16Å; F249-V253 HydrophobicContact CD1-CB 4.09Å; F249-V253 HydrophobicContact CD1-CG2 3.87Å; F249-V253 HydrophobicContact CE1-CB 3.86Å; F249-V253 HydrophobicContact CE1-CG1 3.94Å; F249-V253 HydrophobicContact CE1-CG2 3.94Å; V253-L273 HydrophobicContact CG1-CB 3.87Å; V253-L273 HydrophobicContact CG1-CD2 4.35Å; V253-L273 HydrophobicContact CG1-CG 4.5Å; V253-W274 CarbonylContact C-O 3.58Å; V253-W274 VanDerWaalsContact CA-O 3.31Å; V253-W274 WeakPolarHBondContact CA-O 3.42Å; V253-W274 WeakPolarHBondContact CG1-O 3.45Å; V253-L281 HydrophobicContact CG1-CD1 4.42Å; V253-L281 HydrophobicContact CG2-CD1 4.31Å
254	L	97.8	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.5	175.2	176.3	68.7	0	0	0	109.6	M136 V139 F187 W189 L273 W274	M136-L254 HydrophobicContact CG-CD2 4.14Å; M136-L254 HydrophobicContact SD-CD2 4.03Å; V139-L254 HydrophobicContact CG2-CD1 4.13Å; V139-L254 HydrophobicContact CG2-CD2 3.56Å; V139-L254 HydrophobicContact CG2-CG 4.5Å; F187-L254 HydrophobicContact CB-CD1 4.12Å; F187-L254 HydrophobicContact CD1-CD1 4.36Å; F187-L254 HydrophobicContact CD1-CD2 4.41Å; W189-L254 HydrophobicContact CD2-CB 4.09Å; W189-L254 HydrophobicContact CD2-CD1 3.97Å; W189-L254 HydrophobicContact CE3-CB 3.74Å; W189-L254 HydrophobicContact CE3-CD1 4.47Å; W189-L254 HydrophobicContact CG-CD1 4.25Å; W189-L254 HydrophobicContact CH2-CB 3.68Å; W189-L254 HydrophobicContact CZ2-CB 4.03Å; W189-L254 HydrophobicContact CZ2-CD1 4.22Å; W189-L254 HydrophobicContact CZ2-CD2 4.35Å; W189-L254 HydrophobicContact CZ2-CG 4.44Å; W189-L254 HydrophobicContact CZ3-CB 3.54Å; L254-L273 CarbonylContact O-C 3.53Å; L254-L273 WeakPolarHBondContact O-CA 3.36Å; L254-W274 HydrophobicContact CB-CB 4.22Å; L254-W274 PolarHBondContact N-O 3.29Å; L254-W274 PolarHBondContact O-N 2.7Å
255	S	97.8	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.4	163.1	170.1	0	0	0	0	110.2	F187 L188 L214 R257 C271 R272	F187-S255 CarbonylContact C-O 3.51Å; F187-S255 VanDerWaalsContact CA-O 3.23Å; F187-S255 WeakPolarHBondContact CA-O 3.49Å; L188-S255 PolarHBondContact N-O 3.13Å; L188-S255 PolarHBondContact O-N 2.97Å; L214-S255 VanDerWaalsContact CD1-OG 3.3Å; L214-S255 WeakPolarHBondContact CD1-OG 3.48Å; S255-R257 PolarHBondContact O-NH1 3.42Å; S255-R257 WeakPolarHBondContact OG-CG 3.2Å; S255-R257 PolarHBondContact OG-NH1 2.81Å; S255-C271 PolarHBondContact OG-SG 2.84Å; S255-C271 VanDerWaalsContact OG-SG 3.39Å; S255-R272 WeakPolarHBondContact CA-O 3.43Å
256	E	97.8	Very high	92.9	Very high	15 Å²	15	38.7 Å²	38.7	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.5	165.2	169.3	-170.1	176.2	0	0	108.6	L185 E186 F187 C271 R272 W274	L185-E256 HydrophobicContact CD2-CG 4.25Å; E186-E256 CarbonylContact O-C 3.58Å; E186-E256 WeakPolarHBondContact O-CA 3.49Å; F187-E256 HydrophobicContact CD1-CB 3.99Å; F187-E256 HydrophobicContact CD1-CG 4.33Å; F187-E256 HydrophobicContact CE1-CB 3.79Å; F187-E256 HydrophobicContact CE1-CG 3.69Å; E256-C271 CarbonylContact O-C 3.54Å; E256-C271 VanDerWaalsContact O-CA 3.27Å; E256-C271 WeakPolarHBondContact O-CA 3.17Å; E256-R272 HydrophobicContact CB-CB 4.31Å; E256-R272 PolarHBondContact N-O 3.04Å; E256-R272 PolarHBondContact O-N 3.3Å; E256-R272 IonicContact OE1-NH1 2.84Å; E256-W274 WeakPolarHBondContact OE2-CZ2 3.32Å; E256-W274 PolarHBondContact OE2-NE1 3.32Å
257	R	96.9	Very high	93.2	Very high	11 Å²	11	35.2 Å²	35.2	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147	-176	-58.2	175.4	-57.2	-76.5	-3.1	111.8	L185 E186 S255 H270 C271	L185-R257 WeakPolarHBondContact CA-O 3.27Å; E186-R257 PolarHBondContact N-O 2.83Å; E186-R257 PolarHBondContact O-N 3.39Å; E186-R257 IonicContact OE2-NH2 3.53Å; S255-R257 PolarHBondContact O-NH1 3.42Å; S255-R257 WeakPolarHBondContact OG-CG 3.2Å; S255-R257 PolarHBondContact OG-NH1 2.81Å; R257-H270 WeakPolarHBondContact CA-O 3.28Å; R257-C271 HydrophobicContact CG-CB 4.34Å
258	S	96.4	Very high	93.2	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.9	175.4	59.3	0	0	0	0	111.4	N260 S269 H270	S258-N260 PolarHBondContact OG-OD1 2.74Å; S258-S269 VanDerWaalsContact O-CA 3.27Å; S258-S269 WeakPolarHBondContact O-CA 3.38Å; S258-S269 WeakPolarHBondContact O-CB 3.26Å; S258-H270 PolarHBondContact N-O 3.11Å; S258-H270 VanDerWaalsContact N-O 3.1Å; S258-H270 PolarHBondContact O-N 3.16Å
259	L	95.3	Very high	93.3	Very high	39 Å²	39	35.6 Å²	35.6	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	92.8	169.4	-175.7	61.4	0	0	0	108.4	T183 T218 A219 P222 Y261 A262 F268	T183-L259 WeakPolarHBondContact CG2-O 3.49Å; T218-L259 HydrophobicContact CG2-CB 3.92Å; A219-L259 HydrophobicContact CB-CD1 4.28Å; P222-L259 HydrophobicContact CG-CD2 3.35Å; L259-Y261 WeakPolarHBondContact CD1-O 3.49Å; L259-A262 HydrophobicContact CD2-CB 4.11Å; L259-A262 HydrophobicContact CG-CB 4.43Å; L259-F268 WeakPolarHBondContact CD1-O 3.24Å
260	N	91	Very high	93.5	Very high	50 Å²	50	37.9 Å²	37.9	27%	0.267	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-22.1	-172.6	-70.4	89.9	0	0	0	113	D179 T183 S258 F268 H270	D179-N260 PolarHBondContact OD2-ND2 3.37Å; T183-N260 PolarHBondContact OG1-ND2 3.11Å; T183-N260 VanDerWaalsContact OG1-ND2 3.09Å; S258-N260 PolarHBondContact OG-OD1 2.74Å; N260-F268 PolarHBondContact N-O 3.36Å; N260-F268 VanDerWaalsContact N-O 3.13Å; N260-H270 PolarHBondContact OD1-ND1 2.64Å
261	Y	91.9	Very high	93.8	Very high	131 Å²	131	36.9 Å²	36.9	51%	0.514	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	139.4	175.7	179.6	-97.1	0	0	0	110.8	L259 S263 G267 F268	L259-Y261 WeakPolarHBondContact CD1-O 3.49Å; Y261-S263 WeakPolarHBondContact OH-CB 3.27Å; Y261-S263 PolarHBondContact OH-OG 2.98Å; Y261-G267 CarbonylContact O-C 3.49Å; Y261-G267 WeakPolarHBondContact O-CA 3.4Å; Y261-F268 PolarHBondContact N-O 2.7Å; Y261-F268 PolarHBondContact O-N 3.32Å
262	A	90.6	Very high	94	Very high	45 Å²	45	35.9 Å²	35.9	37%	0.372	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	127	165.6	0	0	0	0	0	109	P222 L259 S266	P222-A262 HydrophobicContact CG-CB 4.05Å; L259-A262 HydrophobicContact CD2-CB 4.11Å; L259-A262 HydrophobicContact CG-CB 4.43Å; A262-S266 CarbonylContact C-O 3.52Å; A262-S266 VanDerWaalsContact CA-O 3.28Å; A262-S266 WeakPolarHBondContact CA-O 3.47Å
263	S	86.9	Confident	94.2	Very high	64 Å²	64	34.6 Å²	34.6	45%	0.448	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	140.6	179.8	-176.8	0	0	0	0	111.2	Y261 T265 S266	Y261-S263 WeakPolarHBondContact OH-CB 3.27Å; Y261-S263 PolarHBondContact OH-OG 2.98Å; S263-T265 PolarHBondContact O-N 3.09Å; S263-S266 PolarHBondContact N-O 3.28Å; S263-S266 PolarHBondContact O-N 2.63Å
264	G	84.2	Confident	94.2	Very high	70 Å²	70	34.5 Å²	34.5	72%	0.722	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	-105.5	179.9	0	0	0	0	0	111.1
265	T	86.7	Confident	94.2	Very high	68 Å²	68	34.9 Å²	34.9	42%	0.417	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	0.9	-180	52.3	0	0	0	0	113.5	S263 T289 L290	S263-T265 PolarHBondContact O-N 3.09Å; T265-T289 CarbonylContact O-C 3.55Å; T265-T289 VanDerWaalsContact O-CA 3.24Å; T265-T289 WeakPolarHBondContact O-CA 3.36Å; T265-L290 HydrophobicContact CG2-CB 4.19Å; T265-L290 PolarHBondContact O-N 3.41Å
266	S	90.8	Very high	94.1	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.8	-175	-176.3	0	0	0	0	112.6	A262 S263 E287 T288	A262-S266 CarbonylContact C-O 3.52Å; A262-S266 VanDerWaalsContact CA-O 3.28Å; A262-S266 WeakPolarHBondContact CA-O 3.47Å; S263-S266 PolarHBondContact N-O 3.28Å; S263-S266 PolarHBondContact O-N 2.63Å; S266-E287 WeakPolarHBondContact OG-CG 3.35Å; S266-E287 PolarHBondContact OG-OE1 3.36Å; S266-T288 CarbonylContact C-O 3.53Å; S266-T288 WeakPolarHBondContact CA-O 3.45Å
267	G	93.4	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.8	169.2	0	0	0	0	0	110.5	Y261 E287 T288	Y261-G267 CarbonylContact O-C 3.49Å; Y261-G267 WeakPolarHBondContact O-CA 3.4Å; G267-E287 WeakPolarHBondContact O-CA 3.28Å; G267-T288 PolarHBondContact N-O 2.88Å; G267-T288 PolarHBondContact O-N 3.13Å
268	F	95.8	Very high	93.9	Very high	61 Å²	61	43.8 Å²	43.8	27%	0.268	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.2	179.1	-179.1	-111.7	0	0	0	110.4	L259 N260 Y261 H270 M285 E287	L259-F268 WeakPolarHBondContact CD1-O 3.24Å; N260-F268 PolarHBondContact N-O 3.36Å; N260-F268 VanDerWaalsContact N-O 3.13Å; Y261-F268 PolarHBondContact N-O 2.7Å; Y261-F268 PolarHBondContact O-N 3.32Å; F268-H270 AromaticContact CD1-NE2 3.82Å; F268-H270 AromaticContact CE1-CD2 3.63Å; F268-H270 AromaticContact CE1-CE1 3.94Å; F268-H270 AromaticContact CE1-NE2 2.93Å; F268-H270 WeakPolarHBondContact CE1-NE2 3.09Å; F268-H270 AromaticContact CZ-CD2 3.82Å; F268-H270 AromaticContact CZ-NE2 3.33Å; F268-H270 VanDerWaalsContact CZ-NE2 3.33Å; F268-H270 WeakPolarHBondContact CZ-NE2 3.44Å; F268-M285 HydrophobicContact CE2-CB 4.22Å; F268-M285 HydrophobicContact CZ-CB 4.16Å; F268-M285 HydrophobicContact CZ-CG 4.36Å; F268-M285 HydrophobicContact CZ-SD 4.01Å; F268-E287 HydrophobicContact CD2-CB 4.15Å
269	S	96.1	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.4	-170.3	54.1	0	0	0	0	111.8	M215 S258 Q286	M215-S269 VanDerWaalsContact CB-OG 3.28Å; M215-S269 WeakPolarHBondContact CB-OG 3.42Å; M215-S269 PolarHBondContact O-OG 3.47Å; S258-S269 VanDerWaalsContact O-CA 3.27Å; S258-S269 WeakPolarHBondContact O-CA 3.38Å; S258-S269 WeakPolarHBondContact O-CB 3.26Å; S269-Q286 PolarHBondContact N-O 3.45Å; S269-Q286 PolarHBondContact O-N 2.93Å; S269-Q286 PolarHBondContact OG-O 3.18Å
270	H	97.2	Very high	94	Very high	48 Å²	48	44.9 Å²	44.9	22%	0.222	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.7	174.1	-61.3	169.6	0	0	0	110.4	R257 S258 N260 F268 A284	R257-H270 WeakPolarHBondContact CA-O 3.28Å; S258-H270 PolarHBondContact N-O 3.11Å; S258-H270 VanDerWaalsContact N-O 3.1Å; S258-H270 PolarHBondContact O-N 3.16Å; N260-H270 PolarHBondContact OD1-ND1 2.64Å; F268-H270 AromaticContact CD1-NE2 3.82Å; F268-H270 AromaticContact CE1-CD2 3.63Å; F268-H270 AromaticContact CE1-CE1 3.94Å; F268-H270 AromaticContact CE1-NE2 2.93Å; F268-H270 WeakPolarHBondContact CE1-NE2 3.09Å; F268-H270 AromaticContact CZ-CD2 3.82Å; F268-H270 AromaticContact CZ-NE2 3.33Å; F268-H270 VanDerWaalsContact CZ-NE2 3.33Å; F268-H270 WeakPolarHBondContact CZ-NE2 3.44Å; H270-A284 WeakPolarHBondContact CA-O 3.31Å
271	C	97.9	Very high	94.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.3	170.1	-174.3	0	0	0	0	110.2	T211 M215 S255 E256 R257 A284	T211-C271 HydrophobicContact CG2-CB 4.41Å; M215-C271 HydrophobicContact CG-CB 3.66Å; M215-C271 HydrophobicContact SD-CB 3.82Å; S255-C271 PolarHBondContact OG-SG 2.84Å; S255-C271 VanDerWaalsContact OG-SG 3.39Å; E256-C271 CarbonylContact O-C 3.54Å; E256-C271 VanDerWaalsContact O-CA 3.27Å; E256-C271 WeakPolarHBondContact O-CA 3.17Å; R257-C271 HydrophobicContact CG-CB 4.34Å; C271-A284 HydrophobicContact CB-CB 4.28Å; C271-A284 PolarHBondContact N-O 2.58Å; C271-A284 PolarHBondContact O-N 3.1Å
272	R	98.2	Very high	94.7	Very high	99 Å²	99	36.5 Å²	36.5	37%	0.374	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.8	165.3	-69.9	177.8	-179.8	149.2	-2.5	109.3	S255 E256 W274 L280 V282	S255-R272 WeakPolarHBondContact CA-O 3.43Å; E256-R272 HydrophobicContact CB-CB 4.31Å; E256-R272 PolarHBondContact N-O 3.04Å; E256-R272 PolarHBondContact O-N 3.3Å; E256-R272 IonicContact OE1-NH1 2.84Å; R272-W274 HydrophobicContact CB-CZ2 4.44Å; R272-L280 HydrophobicContact CB-CD1 3.82Å; R272-L280 HydrophobicContact CG-CD1 3.96Å; R272-V282 CarbonylContact C-O 3.58Å; R272-V282 VanDerWaalsContact CA-O 3.28Å; R272-V282 WeakPolarHBondContact CA-O 3.2Å
273	L	98.5	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128	171.1	-58.2	-176.1	0	0	0	109	A207 T211 F249 V253 L254 L281 V282	A207-L273 HydrophobicContact CB-CD1 3.81Å; T211-L273 HydrophobicContact CG2-CD1 3.93Å; T211-L273 HydrophobicContact CG2-CD2 4.41Å; T211-L273 HydrophobicContact CG2-CG 4.06Å; F249-L273 HydrophobicContact CZ-CD1 3.96Å; V253-L273 HydrophobicContact CG1-CB 3.87Å; V253-L273 HydrophobicContact CG1-CD2 4.35Å; V253-L273 HydrophobicContact CG1-CG 4.5Å; L254-L273 CarbonylContact O-C 3.53Å; L254-L273 WeakPolarHBondContact O-CA 3.36Å; L273-L281 WeakPolarHBondContact O-CB 3.45Å; L273-L281 PolarHBondContact O-N 2.82Å; L273-V282 HydrophobicContact CB-CB 3.97Å; L273-V282 HydrophobicContact CB-CG2 4.3Å; L273-V282 HydrophobicContact CD1-CB 4.11Å; L273-V282 HydrophobicContact CD1-CG2 4.07Å; L273-V282 HydrophobicContact CG-CB 4.12Å; L273-V282 PolarHBondContact N-O 2.95Å; L273-V282 PolarHBondContact O-N 2.85Å
274	W	98.2	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.5	-179	-53.2	86.7	0	0	0	110.5	A134 M136 V253 L254 E256 R272 Q279 L280	A134-W274 HydrophobicContact CB-CH2 3.98Å; A134-W274 WeakPolarHBondContact O-CZ3 3.37Å; M136-W274 HydrophobicContact CB-CD2 4.05Å; M136-W274 HydrophobicContact CB-CE3 3.7Å; M136-W274 HydrophobicContact CB-CZ3 4.02Å; M136-W274 HydrophobicContact CG-CB 4.04Å; M136-W274 HydrophobicContact CG-CD2 3.92Å; M136-W274 HydrophobicContact CG-CE3 4.07Å; M136-W274 HydrophobicContact CG-CG 3.93Å; M136-W274 HydrophobicContact SD-CB 3.77Å; M136-W274 HydrophobicContact SD-CG 4.32Å; V253-W274 CarbonylContact C-O 3.58Å; V253-W274 VanDerWaalsContact CA-O 3.31Å; V253-W274 WeakPolarHBondContact CA-O 3.42Å; V253-W274 WeakPolarHBondContact CG1-O 3.45Å; L254-W274 HydrophobicContact CB-CB 4.22Å; L254-W274 PolarHBondContact N-O 3.29Å; L254-W274 PolarHBondContact O-N 2.7Å; E256-W274 WeakPolarHBondContact OE2-CZ2 3.32Å; E256-W274 PolarHBondContact OE2-NE1 3.32Å; R272-W274 HydrophobicContact CB-CZ2 4.44Å; W274-Q279 CarbonylContact C-O 3.51Å; W274-Q279 VanDerWaalsContact CA-O 3.24Å; W274-Q279 WeakPolarHBondContact CA-O 3.45Å; W274-L280 HydrophobicContact CD2-CD1 3.96Å; W274-L280 HydrophobicContact CE3-CB 3.78Å; W274-L280 HydrophobicContact CE3-CD1 4.06Å; W274-L280 HydrophobicContact CH2-CB 4.14Å; W274-L280 HydrophobicContact CH2-CD1 4.02Å; W274-L280 HydrophobicContact CH2-CD2 4.37Å; W274-L280 HydrophobicContact CH2-CG 4.39Å; W274-L280 HydrophobicContact CZ2-CD1 3.9Å; W274-L280 HydrophobicContact CZ3-CB 3.57Å; W274-L280 HydrophobicContact CZ3-CD1 4.1Å; W274-L280 HydrophobicContact CZ3-CG 4.28Å
275	S	97	Very high	96.3	Very high	7 Å²	7	33 Å²	33	5%	0.049	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	161.2	166.2	65.1	0	0	0	0	110.2	D277 G278 Q279	S275-D277 WeakPolarHBondContact CB-OD1 3.47Å; S275-D277 PolarHBondContact O-N 3.35Å; S275-D277 PolarHBondContact OG-OD1 2.94Å; S275-G278 PolarHBondContact O-N 3.5Å; S275-G278 PolarHBondContact OG-N 3.22Å; S275-Q279 PolarHBondContact N-O 3.46Å; S275-Q279 WeakPolarHBondContact OG-CA 3.5Å; S275-Q279 WeakPolarHBondContact OG-CB 3.28Å; S275-Q279 PolarHBondContact OG-N 3.25Å; S275-Q279 PolarHBondContact OG-O 3.36Å
276	K	95.7	Very high	96.8	Very high	77 Å²	77	29.8 Å²	29.8	34%	0.335	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.1	178.4	-173.8	-179	173.2	-175.2	0	113.1	P142 E143 W189 W252 G278	P142-K276 HydrophobicContact CG-CD 4.46Å; E143-K276 IonicContact OE1-NZ 2.77Å; E143-K276 PolarHBondContact OE1-NZ 2.76Å; E143-K276 IonicContact OE2-NZ 3.16Å; E143-K276 PolarHBondContact OE2-NZ 3.18Å; E143-K276 VanDerWaalsContact OE2-NZ 3.09Å; W189-K276 HydrophobicContact CH2-CB 4.45Å; W189-K276 HydrophobicContact CH2-CG 4.3Å; W189-K276 HydrophobicContact CZ3-CB 4.29Å; W189-K276 HydrophobicContact CZ3-CG 4.43Å; W252-K276 HydrophobicContact CB-CB 4.38Å; W252-K276 HydrophobicContact CB-CD 4.39Å; W252-K276 PolarHBondContact O-N 2.78Å; K276-G278 VanDerWaalsContact C-N 3.32Å
277	D	94.6	Very high	97	Very high	125 Å²	125	32.3 Å²	32.3	67%	0.668	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	1.7	178.3	64.2	-20.4	0	0	0	113.8	S275	S275-D277 WeakPolarHBondContact CB-OD1 3.47Å; S275-D277 PolarHBondContact O-N 3.35Å; S275-D277 PolarHBondContact OG-OD1 2.94Å
278	G	96.1	Very high	97	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	16%	0.158	C	C	.	.	S	Bend	trans	100.7	11.1	165.6	0	0	0	0	0	116.3	Q133 S275 K276	Q133-G278 PolarHBondContact NE2-O 3.42Å; S275-G278 PolarHBondContact O-N 3.5Å; S275-G278 PolarHBondContact OG-N 3.22Å; K276-G278 VanDerWaalsContact C-N 3.32Å
279	Q	96.6	Very high	96.8	Very high	57 Å²	57	30.9 Å²	30.9	27%	0.266	15%	0.154	S	C	.	.			trans	-74.7	135.3	172.7	-61	-176.2	-66.4	0	0	110.9	Y244 H246 W274 S275 L281	Y244-Q279 HydrophobicContact CE2-CB 4.34Å; H246-Q279 VanDerWaalsContact CE1-CD 3.48Å; H246-Q279 PolarHBondContact CE1-OE1 2.85Å; H246-Q279 PolarHBondContact NE2-OE1 2.89Å; W274-Q279 CarbonylContact C-O 3.51Å; W274-Q279 VanDerWaalsContact CA-O 3.24Å; W274-Q279 WeakPolarHBondContact CA-O 3.45Å; S275-Q279 PolarHBondContact N-O 3.46Å; S275-Q279 WeakPolarHBondContact OG-CA 3.5Å; S275-Q279 WeakPolarHBondContact OG-CB 3.28Å; S275-Q279 PolarHBondContact OG-N 3.25Å; S275-Q279 PolarHBondContact OG-O 3.36Å; Q279-L281 HydrophobicContact CB-CD2 4.3Å; Q279-L281 PolarHBondContact O-N 3.04Å
280	L	97.6	Very high	96.2	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	97.4	178.1	178.4	57.1	0	0	0	109.9	Q133 H243 Y244 R272 W274	Q133-L280 HydrophobicContact CB-CB 4.33Å; H243-L280 WeakPolarHBondContact CB-O 3.39Å; H243-L280 PolarHBondContact CD2-O 2.93Å; Y244-L280 WeakPolarHBondContact CD2-O 3.41Å; Y244-L280 VanDerWaalsContact CE2-O 3.3Å; Y244-L280 WeakPolarHBondContact CE2-O 3.49Å; R272-L280 HydrophobicContact CB-CD1 3.82Å; R272-L280 HydrophobicContact CG-CD1 3.96Å; W274-L280 HydrophobicContact CD2-CD1 3.96Å; W274-L280 HydrophobicContact CE3-CB 3.78Å; W274-L280 HydrophobicContact CE3-CD1 4.06Å; W274-L280 HydrophobicContact CH2-CB 4.14Å; W274-L280 HydrophobicContact CH2-CD1 4.02Å; W274-L280 HydrophobicContact CH2-CD2 4.37Å; W274-L280 HydrophobicContact CH2-CG 4.39Å; W274-L280 HydrophobicContact CZ2-CD1 3.9Å; W274-L280 HydrophobicContact CZ3-CB 3.57Å; W274-L280 HydrophobicContact CZ3-CD1 4.1Å; W274-L280 HydrophobicContact CZ3-CG 4.28Å
281	L	97.8	Very high	95.1	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-46.5	-173.3	-54	-179.4	0	0	0	112.5	H243 H246 L247 V253 L273 Q279	H243-L281 PolarHBondContact N-O 2.95Å; H246-L281 VanDerWaalsContact NE2-CD2 3.31Å; H246-L281 WeakPolarHBondContact NE2-CD2 3.47Å; H246-L281 WeakPolarHBondContact O-CD2 3.33Å; L247-L281 HydrophobicContact CD1-CB 4.13Å; L247-L281 HydrophobicContact CD1-CD1 3.6Å; L247-L281 HydrophobicContact CD1-CG 4.48Å; V253-L281 HydrophobicContact CG1-CD1 4.42Å; V253-L281 HydrophobicContact CG2-CD1 4.31Å; L273-L281 WeakPolarHBondContact O-CB 3.45Å; L273-L281 PolarHBondContact O-N 2.82Å; Q279-L281 HydrophobicContact CB-CD2 4.3Å; Q279-L281 PolarHBondContact O-N 3.04Å
282	V	98.5	Very high	93.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.7	-174.1	-173.6	0	0	0	0	110.5	A207 D240 W241 F242 L247 R272 L273	A207-V282 HydrophobicContact CB-CG2 4.2Å; D240-V282 HydrophobicContact CB-CG1 4.24Å; W241-V282 VanDerWaalsContact O-CA 3.28Å; W241-V282 WeakPolarHBondContact O-CA 3.15Å; F242-V282 HydrophobicContact CD1-CG2 3.71Å; F242-V282 HydrophobicContact CE1-CG1 4.45Å; F242-V282 HydrophobicContact CE1-CG2 3.99Å; L247-V282 HydrophobicContact CD2-CG2 4.28Å; R272-V282 CarbonylContact C-O 3.58Å; R272-V282 VanDerWaalsContact CA-O 3.28Å; R272-V282 WeakPolarHBondContact CA-O 3.2Å; L273-V282 HydrophobicContact CB-CB 3.97Å; L273-V282 HydrophobicContact CB-CG2 4.3Å; L273-V282 HydrophobicContact CD1-CB 4.11Å; L273-V282 HydrophobicContact CD1-CG2 4.07Å; L273-V282 HydrophobicContact CG-CB 4.12Å; L273-V282 PolarHBondContact N-O 2.95Å; L273-V282 PolarHBondContact O-N 2.85Å
283	S	98.5	Very high	91	Very high	28 Å²	28	38.1 Å²	38.1	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.9	162.1	-64.9	0	0	0	0	108.9	D240 W241 H243	D240-S283 CarbonylContact C-O 3.55Å; D240-S283 WeakPolarHBondContact CA-O 3.38Å; W241-S283 PolarHBondContact N-O 3.35Å; W241-S283 PolarHBondContact O-N 3.43Å; H243-S283 WeakPolarHBondContact NE2-CB 3.25Å; H243-S283 PolarHBondContact NE2-N 2.84Å; H243-S283 PolarHBondContact NE2-OG 2.89Å
284	A	98.6	Very high	88.1	Confident	2 Å²	2	42.8 Å²	42.8	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151.1	-177.7	0	0	0	0	0	112.6	T211 M215 C239 D240 H270 C271	T211-A284 HydrophobicContact CG2-CB 3.92Å; M215-A284 HydrophobicContact CE-CB 3.69Å; M215-A284 HydrophobicContact SD-CB 4.06Å; C239-A284 CarbonylContact O-C 3.53Å; C239-A284 WeakPolarHBondContact O-CA 3.46Å; C239-A284 WeakPolarHBondContact O-CB 3.44Å; D240-A284 WeakPolarHBondContact OD1-CB 3.31Å; H270-A284 WeakPolarHBondContact CA-O 3.31Å; C271-A284 HydrophobicContact CB-CB 4.28Å; C271-A284 PolarHBondContact N-O 2.58Å; C271-A284 PolarHBondContact O-N 3.1Å
285	M	98.2	Very high	85.2	Confident	76 Å²	76	52.8 Å²	52.8	37%	0.374	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.4	177.1	-61.2	-175.2	173.8	0	0	110.2	C239 W241 F268	C239-M285 PolarHBondContact N-O 2.9Å; C239-M285 PolarHBondContact O-N 3.17Å; W241-M285 HydrophobicContact CZ3-CG 4.21Å; W241-M285 HydrophobicContact CZ3-SD 4.46Å; F268-M285 HydrophobicContact CE2-CB 4.22Å; F268-M285 HydrophobicContact CZ-CB 4.16Å; F268-M285 HydrophobicContact CZ-CG 4.36Å; F268-M285 HydrophobicContact CZ-SD 4.01Å
286	Q	97.6	Very high	82.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	135.3	178.4	166.4	173.6	-45.3	0	0	110.9	H212 M215 A235 D237 H238 S269 T288	H212-Q286 PolarHBondContact ND1-OE1 3.46Å; H212-Q286 PolarHBondContact O-NE2 3.27Å; H212-Q286 PolarHBondContact O-OE1 3.08Å; M215-Q286 HydrophobicContact CB-CB 4.02Å; M215-Q286 HydrophobicContact CB-CG 4.41Å; M215-Q286 HydrophobicContact CE-CB 3.48Å; M215-Q286 VanDerWaalsContact CE-CB 3.48Å; M215-Q286 HydrophobicContact SD-CB 3.87Å; A235-Q286 HydrophobicContact CB-CG 4.19Å; D237-Q286 WeakPolarHBondContact O-CG 3.22Å; H238-Q286 PolarHBondContact ND1-OE1 2.76Å; H238-Q286 VanDerWaalsContact ND1-OE1 3.16Å; S269-Q286 PolarHBondContact N-O 3.45Å; S269-Q286 PolarHBondContact O-N 2.93Å; S269-Q286 PolarHBondContact OG-O 3.18Å; Q286-T288 PolarHBondContact NE2-OG1 3.45Å; Q286-T288 VanDerWaalsContact NE2-OG1 3.1Å
287	E	95.8	Very high	79.2	Confident	65 Å²	65	63.7 Å²	63.7	30%	0.304	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.2	162.8	-172.9	178.7	-137.9	0	0	110.9	A235 T236 D237 S266 G267 F268	A235-E287 WeakPolarHBondContact CA-O 3.36Å; T236-E287 PolarHBondContact N-O 3.5Å; T236-E287 WeakPolarHBondContact OG1-CB 3.06Å; T236-E287 PolarHBondContact OG1-O 3.07Å; T236-E287 PolarHBondContact OG1-OE2 3.46Å; D237-E287 PolarHBondContact OD1-N 3.1Å; S266-E287 WeakPolarHBondContact OG-CG 3.35Å; S266-E287 PolarHBondContact OG-OE1 3.36Å; G267-E287 WeakPolarHBondContact O-CA 3.28Å; F268-E287 HydrophobicContact CD2-CB 4.15Å
288	T	93.3	Very high	76.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.6	176.5	-63.6	0	0	0	0	109.5	F216 A219 M220 A233 I234 S266 G267 Q286	F216-T288 HydrophobicContact CD2-CG2 3.52Å; F216-T288 HydrophobicContact CE2-CG2 3.51Å; F216-T288 HydrophobicContact CG-CG2 4.4Å; F216-T288 HydrophobicContact CZ-CG2 4.39Å; A219-T288 HydrophobicContact CB-CG2 4.27Å; M220-T288 HydrophobicContact SD-CG2 4.18Å; A233-T288 HydrophobicContact CB-CG2 4.2Å; I234-T288 CarbonylContact O-C 3.59Å; I234-T288 WeakPolarHBondContact O-CA 3.37Å; I234-T288 WeakPolarHBondContact O-CG2 3.47Å; S266-T288 CarbonylContact C-O 3.53Å; S266-T288 WeakPolarHBondContact CA-O 3.45Å; G267-T288 PolarHBondContact N-O 2.88Å; G267-T288 PolarHBondContact O-N 3.13Å; Q286-T288 PolarHBondContact NE2-OG1 3.45Å; Q286-T288 VanDerWaalsContact NE2-OG1 3.1Å
289	T	90.5	Very high	73.6	Confident	31 Å²	31	75.8 Å²	75.8	19%	0.19	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.8	-176.7	-63.7	0	0	0	0	111.3	A233 I234 T265	A233-T289 CarbonylContact C-O 3.44Å; A233-T289 VanDerWaalsContact CA-O 3.27Å; A233-T289 WeakPolarHBondContact CA-O 3.2Å; I234-T289 PolarHBondContact N-O 3.36Å; I234-T289 PolarHBondContact O-N 2.86Å; T265-T289 CarbonylContact O-C 3.55Å; T265-T289 VanDerWaalsContact O-CA 3.24Å; T265-T289 WeakPolarHBondContact O-CA 3.36Å
290	L	84.5	Confident	72.5	Confident	18 Å²	18	76.8 Å²	76.8	9%	0.094	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.9	168.8	-56.2	-172.7	0	0	0	109.8	M220 F223 V230 A233 T265	M220-L290 HydrophobicContact CE-CD2 3.8Å; M220-L290 HydrophobicContact SD-CD2 3.95Å; F223-L290 HydrophobicContact CB-CD2 4.38Å; F223-L290 HydrophobicContact CD1-CD1 3.63Å; F223-L290 HydrophobicContact CD1-CD2 4.34Å; F223-L290 HydrophobicContact CD1-CG 4.17Å; F223-L290 HydrophobicContact CD2-CD1 4.35Å; F223-L290 HydrophobicContact CD2-CD2 3.54Å; F223-L290 HydrophobicContact CD2-CG 4.08Å; F223-L290 HydrophobicContact CE1-CD1 3.79Å; F223-L290 HydrophobicContact CE1-CG 4.06Å; F223-L290 HydrophobicContact CE2-CD2 3.82Å; F223-L290 HydrophobicContact CE2-CG 4Å; F223-L290 HydrophobicContact CG-CD1 3.94Å; F223-L290 HydrophobicContact CG-CD2 3.85Å; F223-L290 HydrophobicContact CG-CG 4.18Å; F223-L290 HydrophobicContact CZ-CD1 4.24Å; F223-L290 HydrophobicContact CZ-CD2 4.32Å; F223-L290 HydrophobicContact CZ-CG 3.99Å; V230-L290 HydrophobicContact CG1-CD1 4.09Å; V230-L290 HydrophobicContact CG1-CD2 3.49Å; V230-L290 VanDerWaalsContact CG1-CD2 3.49Å; V230-L290 HydrophobicContact CG1-CG 4.28Å; V230-L290 HydrophobicContact CG2-CD1 3.92Å; A233-L290 HydrophobicContact CB-CD2 3.77Å; T265-L290 HydrophobicContact CG2-CB 4.19Å; T265-L290 PolarHBondContact O-N 3.41Å
291	E	74.5	Confident	71.2	Confident	62 Å²	62	80 Å²	80	29%	0.29	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	144.8	163.8	-75.4	-173	-170	0	0	109.4	R81 S231 S232 I234	R81-E291 IonicContact CZ-OE1 2.64Å; R81-E291 IonicContact CZ-OE2 3.08Å; R81-E291 VanDerWaalsContact NE-CD 3.35Å; R81-E291 IonicContact NE-OE1 2.75Å; R81-E291 PolarHBondContact NE-OE1 3.47Å; R81-E291 IonicContact NE-OE2 3.26Å; R81-E291 PolarHBondContact NE-OE2 3.21Å; R81-E291 IonicContact NH1-OE1 2.7Å; R81-E291 IonicContact NH1-OE2 3.09Å; R81-E291 PolarHBondContact NH1-OE2 3.11Å; R81-E291 IonicContact NH2-OE1 3.82Å; R81-E291 PolarHBondContact NH2-OE1 3.37Å; R81-E291 VanDerWaalsContact NH2-OE1 3.16Å; R81-E291 IonicContact NH2-OE2 2.67Å; R81-E291 PolarHBondContact NH2-OE2 3.26Å; S231-E291 PolarHBondContact OG-O 3.07Å; S232-E291 PolarHBondContact O-N 3.16Å; I234-E291 HydrophobicContact CD1-CG 4.2Å; I234-E291 HydrophobicContact CG1-CG 4.21Å; I234-E291 HydrophobicContact CG2-CG 4.23Å; I234-E291 VanDerWaalsContact CG2-OE1 3.25Å; I234-E291 WeakPolarHBondContact CG2-OE1 3.34Å
292	D	62	Low	69.7	Low	146 Å²	146	84.1 Å²	84.1	78%	0.781	43%	0.429	S	S	*	.			trans	-41.7	141.6	-165.1	-107.1	-28.8	0	0	0	116.6	S231 V294	S231-D292 PolarHBondContact OG-O 2.92Å; D292-V294 PolarHBondContact O-N 3.23Å
293	Q	46.4	Very low	68	Low	74 Å²	74	89.1 Å²	89.1	35%	0.346	45%	0.454	S	S	.	.			trans	-60.3	129.8	170.4	-68.2	-86.4	-45.8	0	0	109.2	D229 K295	D229-Q293 PolarHBondContact O-NE2 3.03Å; D229-Q293 VanDerWaalsContact O-NE2 3.07Å; D229-Q293 PolarHBondContact O-OE1 3.31Å; Q293-K295 PolarHBondContact O-N 2.91Å
294	V	39.1	Very low	66.1	Low	99 Å²	99	92.9 Å²	92.9	60%	0.6	47%	0.47	S	S	*	.			trans	-49.7	111.4	176.7	174.7	0	0	0	0	109.8	D292 K296	D292-V294 PolarHBondContact O-N 3.23Å; V294-K296 HydrophobicContact CG1-CB 4.03Å; V294-K296 HydrophobicContact CG1-CD 4.17Å; V294-K296 HydrophobicContact CG1-CG 3.74Å; V294-K296 PolarHBondContact O-N 3.27Å
295	K	35.7	Very low	63.9	Low	209 Å²	209	98.9 Å²	98.9	91%	0.909	50%	0.5	S	S	*	.			trans	-64.3	101.5	156.1	-84.5	-175.6	178	175.6	0	107.6	Q293	Q293-K295 PolarHBondContact O-N 2.91Å
296	K	35.4	Very low	61.5	Low	177 Å²	177	100.6 Å²	100.6	77%	0.77	51%	0.509	S	S	*	.			trans	-135.6	79.6	156.4	-84.9	-171.2	180	180	0	110.5	V294	V294-K296 HydrophobicContact CG1-CB 4.03Å; V294-K296 HydrophobicContact CG1-CD 4.17Å; V294-K296 HydrophobicContact CG1-CG 3.74Å; V294-K296 PolarHBondContact O-N 3.27Å
297	T	32.2	Very low	58.7	Low	137 Å²	137	108.3 Å²	108.3	84%	0.84	55%	0.549	S	S	*	.			trans	-132.5	79	141.1	31.8	0	0	0	0	107.7	K299	T297-K299 PolarHBondContact O-N 3.32Å
298	S	35.2	Very low	55.6	Low	118 Å²	118	111.9 Å²	111.9	83%	0.825	57%	0.569	S	S	*	*			trans	-66.2	107.2	146.6	48.9	0	0	0	0	106.9
299	K	38.2	Very low	52.2	Low	272 Å²	272	122.1 Å²	122.1	100%	1.183	62%	0.621	S	S	*	*			trans	-102.6	0	153.5	-93.3	-170.3	176	-177.7	0	107.6	T297	T297-K299 PolarHBondContact O-N 3.32Å

Retrieved 299 of 299 residues in 343.1 ms (Link to these results)

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