A0A077Z4H9_TRITR Loading...

2OG-FeII Oxy 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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	58	Low	83.3	Confident	167 Å²	167	69.6 Å²	69.6	82%	0.823	37%	0.365	S	S	*	.				0	127	0	-179.1	170.7	78.6	0	0	107.1	V3	M1-V3 HydrophobicContact CE-CG2 3.66Å; M1-V3 HydrophobicContact CG-CG2 4.48Å; M1-V3 PolarHBondContact O-N 3.01Å
2	V	70.6	Confident	84	Confident	34 Å²	34	74.7 Å²	74.7	21%	0.206	39%	0.393	C	S	.	.			trans	-80.3	107.9	175.2	-177	0	0	0	0	107.3	M4 Y13 V25	V2-M4 HydrophobicContact CG1-CE 4.47Å; V2-M4 HydrophobicContact CG1-CG 4.04Å; V2-M4 HydrophobicContact CG1-SD 4.3Å; V2-Y13 HydrophobicContact CG1-CE2 4.02Å; V2-Y13 WeakPolarHBondContact CG1-OH 3.23Å; V2-V25 HydrophobicContact CB-CG1 4.11Å; V2-V25 HydrophobicContact CG1-CG1 4.03Å; V2-V25 HydrophobicContact CG2-CG1 3.88Å
3	V	74.5	Confident	84.9	Confident	88 Å²	88	73.9 Å²	73.9	53%	0.533	38%	0.382	S	S	.	.			trans	-91.9	119	173.9	-177.9	0	0	0	0	106.9	M1 Q5	M1-V3 HydrophobicContact CE-CG2 3.66Å; M1-V3 HydrophobicContact CG-CG2 4.48Å; M1-V3 PolarHBondContact O-N 3.01Å; V3-Q5 HydrophobicContact CG1-CG 4.11Å
4	M	85.4	Confident	85.7	Confident	19 Å²	19	73.6 Å²	73.6	9%	0.094	37%	0.374	C	S	.	.			trans	-111.6	122.2	172.9	-66	160.4	-67.2	0	0	107	V2 D9 L10 V25 F28 I89 L160	V2-M4 HydrophobicContact CG1-CE 4.47Å; V2-M4 HydrophobicContact CG1-CG 4.04Å; V2-M4 HydrophobicContact CG1-SD 4.3Å; M4-D9 HydrophobicContact CB-CB 4.3Å; M4-D9 HydrophobicContact CG-CB 4.24Å; M4-L10 HydrophobicContact CG-CD2 4.38Å; M4-L10 HydrophobicContact SD-CD2 3.29Å; M4-L10 WeakPolarHBondContact SD-CD2 3.37Å; M4-L10 HydrophobicContact SD-CG 4.15Å; M4-V25 HydrophobicContact SD-CG2 4.14Å; M4-F28 HydrophobicContact CE-CD2 3.6Å; M4-F28 HydrophobicContact CE-CE2 3.29Å; M4-F28 HydrophobicContact CE-CZ 4.42Å; M4-I89 HydrophobicContact CB-CD1 4.07Å; M4-I89 HydrophobicContact CB-CG1 4.22Å; M4-I89 HydrophobicContact CE-CD1 4.4Å; M4-L160 HydrophobicContact CE-CD2 3.73Å; M4-L160 HydrophobicContact SD-CD2 4.36Å
5	Q	86.6	Confident	86.5	Confident	142 Å²	142	68.8 Å²	68.8	66%	0.664	35%	0.349	S	S	*	.			trans	-105	-28.5	178.7	-62.1	-175.1	-15.9	0	0	111	V3 D9 S90	V3-Q5 HydrophobicContact CG1-CG 4.11Å; Q5-D9 WeakPolarHBondContact CA-OD2 3.07Å; Q5-D9 PolarHBondContact N-OD2 3.09Å; Q5-S90 WeakPolarHBondContact O-CB 3.25Å; Q5-S90 PolarHBondContact O-N 3.18Å
6	S	89.9	Confident	86.9	Confident	25 Å²	25	70.2 Å²	70.2	18%	0.175	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-138.7	170.5	176.5	75.4	0	0	0	0	112.7	D8 D9 S90	S6-D8 PolarHBondContact O-N 3.42Å; S6-D8 WeakPolarHBondContact OG-CB 3.48Å; S6-D8 PolarHBondContact OG-N 3.28Å; S6-D9 PolarHBondContact N-OD2 3.26Å; S6-D9 WeakPolarHBondContact O-CB 3.47Å; S6-D9 PolarHBondContact O-N 2.92Å; S6-S90 CarbonylContact C-O 3.54Å; S6-S90 WeakPolarHBondContact CA-O 3.44Å
7	V	86.2	Confident	87.2	Confident	32 Å²	32	72 Å²	72	19%	0.194	37%	0.372	C	S	.	.	H	α-helix	trans	-63.8	-25.2	170.4	175.7	0	0	0	0	112	D9 L10 E11 S90 L92	V7-D9 PolarHBondContact O-N 2.9Å; V7-L10 WeakPolarHBondContact O-CA 3.13Å; V7-L10 VanDerWaalsContact O-CB 3.28Å; V7-L10 WeakPolarHBondContact O-CB 3.36Å; V7-L10 PolarHBondContact O-N 3.06Å; V7-E11 PolarHBondContact O-N 3.32Å; V7-S90 WeakPolarHBondContact CG2-O 3.44Å; V7-S90 PolarHBondContact N-O 2.96Å; V7-L92 HydrophobicContact CG2-CB 4.09Å; V7-L92 VanDerWaalsContact CG2-N 3.33Å
8	D	90	Very high	87.4	Confident	126 Å²	126	68.8 Å²	68.8	67%	0.674	36%	0.356	S	S	*	.	H	α-helix	trans	-63.6	-33.3	175.9	-57.3	-34.1	0	0	0	111.2	S6 L10 E11	S6-D8 PolarHBondContact O-N 3.42Å; S6-D8 WeakPolarHBondContact OG-CB 3.48Å; S6-D8 PolarHBondContact OG-N 3.28Å; D8-L10 PolarHBondContact O-N 2.95Å; D8-E11 PolarHBondContact O-N 2.89Å
9	D	91.2	Very high	87.1	Confident	55 Å²	55	70.4 Å²	70.4	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-30.7	173.3	-59.6	-41.3	0	0	0	111.9	M4 Q5 S6 V7 E11 Y13	M4-D9 HydrophobicContact CB-CB 4.3Å; M4-D9 HydrophobicContact CG-CB 4.24Å; Q5-D9 WeakPolarHBondContact CA-OD2 3.07Å; Q5-D9 PolarHBondContact N-OD2 3.09Å; S6-D9 PolarHBondContact N-OD2 3.26Å; S6-D9 WeakPolarHBondContact O-CB 3.47Å; S6-D9 PolarHBondContact O-N 2.92Å; V7-D9 PolarHBondContact O-N 2.9Å; D9-E11 VanDerWaalsContact C-N 3.33Å; D9-Y13 WeakPolarHBondContact O-CD2 3.41Å; D9-Y13 WeakPolarHBondContact O-CE2 3.35Å
10	L	91.4	Very high	86.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-72.5	-23.8	178.6	-72.8	170.8	0	0	0	112.8	M4 V7 D8 N12 Y13 R14 F23 I89 L92 I162	M4-L10 HydrophobicContact CG-CD2 4.38Å; M4-L10 HydrophobicContact SD-CD2 3.29Å; M4-L10 WeakPolarHBondContact SD-CD2 3.37Å; M4-L10 HydrophobicContact SD-CG 4.15Å; V7-L10 WeakPolarHBondContact O-CA 3.13Å; V7-L10 VanDerWaalsContact O-CB 3.28Å; V7-L10 WeakPolarHBondContact O-CB 3.36Å; V7-L10 PolarHBondContact O-N 3.06Å; D8-L10 PolarHBondContact O-N 2.95Å; L10-N12 PolarHBondContact O-N 3.12Å; L10-Y13 CarbonylContact O-C 3.51Å; L10-Y13 WeakPolarHBondContact O-CA 3.35Å; L10-Y13 WeakPolarHBondContact O-CB 3.46Å; L10-Y13 PolarHBondContact O-N 3.15Å; L10-R14 PolarHBondContact O-N 3.23Å; L10-F23 HydrophobicContact CB-CD1 3.93Å; L10-F23 HydrophobicContact CB-CD2 4.36Å; L10-F23 HydrophobicContact CB-CE1 4.04Å; L10-F23 HydrophobicContact CB-CE2 4.44Å; L10-F23 HydrophobicContact CB-CG 4.09Å; L10-F23 HydrophobicContact CB-CZ 4.28Å; L10-F23 HydrophobicContact CD1-CD2 4.38Å; L10-F23 HydrophobicContact CD2-CB 4.36Å; L10-F23 WeakPolarHBondContact O-CD1 3.19Å; L10-F23 WeakPolarHBondContact O-CE1 3.46Å; L10-I89 HydrophobicContact CD1-CG2 4.4Å; L10-L92 HydrophobicContact CD1-CD1 3.89Å; L10-I162 HydrophobicContact CD1-CD1 3.97Å; L10-I162 HydrophobicContact CD2-CD1 4.12Å
11	E	92.7	Very high	86.9	Confident	78 Å²	78	65.1 Å²	65.1	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-29.5	-177.5	-69.9	-59.7	142.3	0	0	112.6	V7 D8 D9 Y13 R14 F23	V7-E11 PolarHBondContact O-N 3.32Å; D8-E11 PolarHBondContact O-N 2.89Å; D9-E11 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 2.72Å; E11-Y13 VanDerWaalsContact O-N 3.13Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 3.27Å; E11-R14 IonicContact OE1-CZ 3.84Å; E11-R14 IonicContact OE1-NE 2.83Å; E11-R14 IonicContact OE1-NH2 2.82Å; E11-R14 PolarHBondContact OE1-NH2 3.44Å; E11-R14 IonicContact OE2-CZ 3.12Å; E11-R14 IonicContact OE2-NE 2.65Å; E11-R14 PolarHBondContact OE2-NE 2.94Å; E11-R14 IonicContact OE2-NH2 3.66Å; E11-R14 PolarHBondContact OE2-NH2 2.81Å; E11-R14 VanDerWaalsContact OE2-NH2 3.15Å; E11-F23 WeakPolarHBondContact OE1-CZ 3.43Å
12	N	91.6	Very high	88.7	Confident	130 Å²	130	57.1 Å²	57.1	70%	0.695	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.8	171.8	-65.4	-48.1	0	0	0	113.6	L10	L10-N12 PolarHBondContact O-N 3.12Å
13	Y	95.6	Very high	90	Very high	65 Å²	65	55.6 Å²	55.6	26%	0.255	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	11.5	-177.3	-58.6	-77.5	0	0	0	112.4	V2 D9 L10 E11 V15 F23 Y24 V25 L192	V2-Y13 HydrophobicContact CG1-CE2 4.02Å; V2-Y13 WeakPolarHBondContact CG1-OH 3.23Å; D9-Y13 WeakPolarHBondContact O-CD2 3.41Å; D9-Y13 WeakPolarHBondContact O-CE2 3.35Å; L10-Y13 CarbonylContact O-C 3.51Å; L10-Y13 WeakPolarHBondContact O-CA 3.35Å; L10-Y13 WeakPolarHBondContact O-CB 3.46Å; L10-Y13 PolarHBondContact O-N 3.15Å; E11-Y13 PolarHBondContact O-N 2.72Å; E11-Y13 VanDerWaalsContact O-N 3.13Å; Y13-V15 PolarHBondContact O-N 2.72Å; Y13-F23 CarbonylContact O-C 3.54Å; Y13-F23 VanDerWaalsContact O-CA 3.29Å; Y13-F23 WeakPolarHBondContact O-CA 3.32Å; Y13-Y24 WeakPolarHBondContact CB-O 3.43Å; Y13-Y24 PolarHBondContact O-N 3.36Å; Y13-V25 HydrophobicContact CD1-CB 4.22Å; Y13-V25 HydrophobicContact CD1-CG1 4.11Å; Y13-V25 HydrophobicContact CD1-CG2 3.85Å; Y13-V25 HydrophobicContact CD2-CG2 4.03Å; Y13-V25 HydrophobicContact CE1-CG1 3.91Å; Y13-V25 HydrophobicContact CE1-CG2 4.4Å; Y13-V25 HydrophobicContact CG-CG2 3.65Å; Y13-L192 WeakPolarHBondContact O-CD1 3.43Å
14	R	96.1	Very high	91.1	Very high	70 Å²	70	51.4 Å²	51.4	26%	0.264	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-64.8	132.3	177.7	-177.6	177	-74.9	-88.5	-2.7	110.6	L10 E11 C16 T21 A22 F23	L10-R14 PolarHBondContact O-N 3.23Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 3.27Å; E11-R14 IonicContact OE1-CZ 3.84Å; E11-R14 IonicContact OE1-NE 2.83Å; E11-R14 IonicContact OE1-NH2 2.82Å; E11-R14 PolarHBondContact OE1-NH2 3.44Å; E11-R14 IonicContact OE2-CZ 3.12Å; E11-R14 IonicContact OE2-NE 2.65Å; E11-R14 PolarHBondContact OE2-NE 2.94Å; E11-R14 IonicContact OE2-NH2 3.66Å; E11-R14 PolarHBondContact OE2-NH2 2.81Å; E11-R14 VanDerWaalsContact OE2-NH2 3.15Å; R14-C16 VanDerWaalsContact C-N 3.33Å; R14-C16 PolarHBondContact O-N 3.47Å; R14-T21 PolarHBondContact NH1-OG1 2.89Å; R14-A22 WeakPolarHBondContact CA-O 3.37Å; R14-F23 HydrophobicContact CB-CD1 3.99Å; R14-F23 HydrophobicContact CB-CE1 3.96Å; R14-F23 HydrophobicContact CG-CE1 4.4Å
15	V	96.9	Very high	91.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.267	C	S	.	.			trans	-81.4	81.2	171.9	-170.3	0	0	0	0	109.1	Y13 Q17 L18 A22 L153 R188 N189 L192	Y13-V15 PolarHBondContact O-N 2.72Å; V15-Q17 PolarHBondContact O-N 3.21Å; V15-L18 HydrophobicContact CB-CD1 4.14Å; V15-L18 HydrophobicContact CG1-CD1 3.88Å; V15-L18 HydrophobicContact CG1-CG 3.95Å; V15-L18 PolarHBondContact O-N 2.81Å; V15-L18 VanDerWaalsContact O-N 3.14Å; V15-A22 HydrophobicContact CB-CB 4.19Å; V15-A22 HydrophobicContact CG2-CB 4.13Å; V15-A22 PolarHBondContact N-O 3.21Å; V15-L153 HydrophobicContact CG1-CD2 3.97Å; V15-L153 HydrophobicContact CG2-CD2 4.08Å; V15-R188 HydrophobicContact CG1-CB 3.9Å; V15-N189 HydrophobicContact CG1-CB 4.23Å; V15-N189 HydrophobicContact CG2-CB 4.16Å; V15-L192 HydrophobicContact CG2-CD1 4Å
16	C	94.1	Very high	92.2	Very high	91 Å²	91	44.5 Å²	44.5	62%	0.615	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.1	-173.7	-61.6	0	0	0	0	114.8	R14 L18	R14-C16 VanDerWaalsContact C-N 3.33Å; R14-C16 PolarHBondContact O-N 3.47Å; C16-L18 VanDerWaalsContact C-N 3.26Å
17	Q	91.9	Very high	92.5	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.472	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.8	178.8	-62.4	69.7	30.3	0	0	112.8	V15 R188	V15-Q17 PolarHBondContact O-N 3.21Å; Q17-R188 HydrophobicContact CB-CB 3.97Å; Q17-R188 HydrophobicContact CB-CG 4.32Å; Q17-R188 PolarHBondContact OE1-O 3.4Å; Q17-R188 VanDerWaalsContact OE1-O 3.13Å
18	L	91	Very high	93	Very high	15 Å²	15	46.9 Å²	46.9	8%	0.079	25%	0.251	C	S	.	.	S	Bend	trans	-104.8	151.5	172	-70.3	175	0	0	0	110.7	V15 C16 A20 A22 L139 L153 L167 R188	V15-L18 HydrophobicContact CB-CD1 4.14Å; V15-L18 HydrophobicContact CG1-CD1 3.88Å; V15-L18 HydrophobicContact CG1-CG 3.95Å; V15-L18 PolarHBondContact O-N 2.81Å; V15-L18 VanDerWaalsContact O-N 3.14Å; C16-L18 VanDerWaalsContact C-N 3.26Å; L18-A20 PolarHBondContact O-N 3.2Å; L18-A22 HydrophobicContact CD1-CB 3.87Å; L18-L139 HydrophobicContact CD1-CD1 3.58Å; L18-L139 HydrophobicContact CD2-CD1 3.84Å; L18-L139 HydrophobicContact CG-CD1 4.39Å; L18-L153 HydrophobicContact CD1-CD1 4.38Å; L18-L153 HydrophobicContact CD1-CD2 4.14Å; L18-L153 HydrophobicContact CD1-CG 4.49Å; L18-L167 HydrophobicContact CD1-CD2 4.13Å; L18-R188 HydrophobicContact CD2-CB 4.24Å; L18-R188 HydrophobicContact CD2-CG 3.8Å; L18-R188 HydrophobicContact CG-CB 4.16Å; L18-R188 HydrophobicContact CG-CG 4.24Å
19	P	80.3	Confident	93.4	Very high	98 Å²	98	41.2 Å²	41.2	64%	0.636	22%	0.221	S	C	*	.	S	Bend	trans	-72.1	-12.3	-176.3	29.8	-36.6	0	0	0	114.2	I150	P19-I150 HydrophobicContact CG-CD1 3.9Å
20	A	81.9	Confident	93.6	Very high	15 Å²	15	41.2 Å²	41.2	12%	0.124	23%	0.225	C	C	.	.	S	Bend	trans	-146.6	175.5	-173.1	0	0	0	0	0	111	L18 A22 E166 L167	L18-A20 PolarHBondContact O-N 3.2Å; A20-A22 PolarHBondContact O-N 3.46Å; A20-A22 VanDerWaalsContact O-N 3.14Å; A20-E166 HydrophobicContact CB-CB 4.24Å; A20-L167 HydrophobicContact CB-CB 3.71Å; A20-L167 HydrophobicContact CB-CD1 4.43Å
21	T	89.1	Confident	93.9	Very high	15 Å²	15	46 Å²	46	9%	0.092	26%	0.258	C	S	.	.			trans	-72.5	109.3	-165.3	-56.4	0	0	0	0	113.4	R14 F23 K164 D165	R14-T21 PolarHBondContact NH1-OG1 2.89Å; T21-F23 HydrophobicContact CG2-CD2 4.18Å; T21-F23 HydrophobicContact CG2-CE1 4.4Å; T21-F23 HydrophobicContact CG2-CE2 3.43Å; T21-F23 VanDerWaalsContact CG2-CE2 3.43Å; T21-F23 HydrophobicContact CG2-CZ 3.56Å; T21-K164 HydrophobicContact CG2-CD 3.74Å; T21-K164 HydrophobicContact CG2-CG 3.58Å; T21-K164 PolarHBondContact O-N 3.21Å; T21-D165 PolarHBondContact OG1-OD2 3.15Å
22	A	96.2	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.4	164.7	0	0	0	0	0	110.2	R14 V15 L18 A20 F161 I162 L167	R14-A22 WeakPolarHBondContact CA-O 3.37Å; V15-A22 HydrophobicContact CB-CB 4.19Å; V15-A22 HydrophobicContact CG2-CB 4.13Å; V15-A22 PolarHBondContact N-O 3.21Å; L18-A22 HydrophobicContact CD1-CB 3.87Å; A20-A22 PolarHBondContact O-N 3.46Å; A20-A22 VanDerWaalsContact O-N 3.14Å; A22-F161 HydrophobicContact CB-CE2 3.92Å; A22-I162 CarbonylContact C-O 3.42Å; A22-I162 VanDerWaalsContact CA-O 3.28Å; A22-I162 WeakPolarHBondContact CA-O 3.49Å; A22-L167 HydrophobicContact CB-CD2 3.64Å
23	F	96.7	Very high	94.4	Very high	1 Å²	1	41 Å²	41	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.5	171.2	-54.1	-75.6	0	0	0	110.1	L10 E11 Y13 R14 T21 F161 I162 K164	L10-F23 HydrophobicContact CB-CD1 3.93Å; L10-F23 HydrophobicContact CB-CD2 4.36Å; L10-F23 HydrophobicContact CB-CE1 4.04Å; L10-F23 HydrophobicContact CB-CE2 4.44Å; L10-F23 HydrophobicContact CB-CG 4.09Å; L10-F23 HydrophobicContact CB-CZ 4.28Å; L10-F23 HydrophobicContact CD1-CD2 4.38Å; L10-F23 HydrophobicContact CD2-CB 4.36Å; L10-F23 WeakPolarHBondContact O-CD1 3.19Å; L10-F23 WeakPolarHBondContact O-CE1 3.46Å; E11-F23 WeakPolarHBondContact OE1-CZ 3.43Å; Y13-F23 CarbonylContact O-C 3.54Å; Y13-F23 VanDerWaalsContact O-CA 3.29Å; Y13-F23 WeakPolarHBondContact O-CA 3.32Å; R14-F23 HydrophobicContact CB-CD1 3.99Å; R14-F23 HydrophobicContact CB-CE1 3.96Å; R14-F23 HydrophobicContact CG-CE1 4.4Å; T21-F23 HydrophobicContact CG2-CD2 4.18Å; T21-F23 HydrophobicContact CG2-CE1 4.4Å; T21-F23 HydrophobicContact CG2-CE2 3.43Å; T21-F23 VanDerWaalsContact CG2-CE2 3.43Å; T21-F23 HydrophobicContact CG2-CZ 3.56Å; F23-F161 WeakPolarHBondContact O-CA 3.45Å; F23-F161 WeakPolarHBondContact O-CD2 3.4Å; F23-I162 HydrophobicContact CB-CB 4.28Å; F23-I162 HydrophobicContact CD2-CB 4.22Å; F23-I162 HydrophobicContact CD2-CG2 4.35Å; F23-I162 PolarHBondContact N-O 2.88Å; F23-I162 PolarHBondContact O-N 2.87Å; F23-K164 HydrophobicContact CE2-CD 4.08Å
24	Y	98.2	Very high	94.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.1	177.8	-180	-97.2	0	0	0	111.2	Y13 A26 L154 L155 E156 S159 L160 F161 N189 L192	Y13-Y24 WeakPolarHBondContact CB-O 3.43Å; Y13-Y24 PolarHBondContact O-N 3.36Å; Y24-A26 HydrophobicContact CE1-CB 3.98Å; Y24-L154 WeakPolarHBondContact CE2-O 3.05Å; Y24-L154 VanDerWaalsContact CZ-O 3.29Å; Y24-L154 PolarHBondContact OH-O 3.07Å; Y24-L155 HydrophobicContact CD2-CD2 4.23Å; Y24-L155 HydrophobicContact CE2-CD2 4.05Å; Y24-E156 WeakPolarHBondContact OH-CB 3.24Å; Y24-E156 WeakPolarHBondContact OH-CG 3.39Å; Y24-E156 PolarHBondContact OH-N 2.96Å; Y24-E156 PolarHBondContact OH-OE2 3.18Å; Y24-S159 WeakPolarHBondContact OH-CB 3.42Å; Y24-L160 WeakPolarHBondContact CA-O 3.29Å; Y24-F161 HydrophobicContact CD2-CB 4.42Å; Y24-N189 HydrophobicContact CD1-CB 4.11Å; Y24-N189 VanDerWaalsContact CD1-ND2 3.25Å; Y24-N189 WeakPolarHBondContact CD1-ND2 3.33Å; Y24-N189 WeakPolarHBondContact CD2-ND2 3.1Å; Y24-N189 VanDerWaalsContact CE1-ND2 3.29Å; Y24-N189 WeakPolarHBondContact CE1-ND2 3.27Å; Y24-N189 WeakPolarHBondContact CE2-ND2 3.29Å; Y24-N189 HydrophobicContact CG-CB 4.2Å; Y24-N189 VanDerWaalsContact CG-ND2 3.3Å; Y24-L192 HydrophobicContact CD1-CB 3.74Å; Y24-L192 HydrophobicContact CE1-CB 4.49Å; Y24-L192 WeakPolarHBondContact CE1-O 3.46Å
25	V	97.6	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	104.3	179	-170.4	0	0	0	0	108.5	V2 M4 Y13 F28 S159 L160	V2-V25 HydrophobicContact CB-CG1 4.11Å; V2-V25 HydrophobicContact CG1-CG1 4.03Å; V2-V25 HydrophobicContact CG2-CG1 3.88Å; M4-V25 HydrophobicContact SD-CG2 4.14Å; Y13-V25 HydrophobicContact CD1-CB 4.22Å; Y13-V25 HydrophobicContact CD1-CG1 4.11Å; Y13-V25 HydrophobicContact CD1-CG2 3.85Å; Y13-V25 HydrophobicContact CD2-CG2 4.03Å; Y13-V25 HydrophobicContact CE1-CG1 3.91Å; Y13-V25 HydrophobicContact CE1-CG2 4.4Å; Y13-V25 HydrophobicContact CG-CG2 3.65Å; V25-F28 HydrophobicContact CB-CB 4.3Å; V25-F28 HydrophobicContact CG1-CB 4.17Å; V25-S159 WeakPolarHBondContact O-CA 3.33Å; V25-L160 HydrophobicContact CB-CB 4.22Å; V25-L160 HydrophobicContact CG2-CD2 4.22Å; V25-L160 PolarHBondContact N-O 2.92Å; V25-L160 PolarHBondContact O-N 2.87Å
26	A	97.5	Very high	94.7	Very high	16 Å²	16	48.6 Å²	48.6	13%	0.132	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	151.4	167.6	0	0	0	0	0	110.8	Y24 F28 E156 L192	Y24-A26 HydrophobicContact CE1-CB 3.98Å; A26-F28 PolarHBondContact O-N 2.97Å; A26-F28 VanDerWaalsContact O-N 3.09Å; A26-E156 WeakPolarHBondContact CB-OE2 3.45Å; A26-L192 WeakPolarHBondContact CB-O 3.29Å
27	N	96.1	Very high	95	Very high	97 Å²	97	44.4 Å²	44.4	52%	0.519	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	35	-179.2	-58.6	-37.4	0	0	0	113.3	L29 S194	N27-L29 PolarHBondContact O-N 3.02Å; N27-S194 WeakPolarHBondContact ND2-CB 3.34Å
28	F	97.2	Very high	95.3	Very high	10 Å²	10	42.9 Å²	42.9	4%	0.044	24%	0.239	C	C	.	.			trans	-58.3	-42.1	175.5	168.4	-110.8	0	0	0	110.6	M4 V25 A26 F82 F86 V129 G158 L160	M4-F28 HydrophobicContact CE-CD2 3.6Å; M4-F28 HydrophobicContact CE-CE2 3.29Å; M4-F28 HydrophobicContact CE-CZ 4.42Å; V25-F28 HydrophobicContact CB-CB 4.3Å; V25-F28 HydrophobicContact CG1-CB 4.17Å; A26-F28 PolarHBondContact O-N 2.97Å; A26-F28 VanDerWaalsContact O-N 3.09Å; F28-F82 HydrophobicContact CE1-CE2 4.28Å; F28-F82 HydrophobicContact CE1-CZ 4.06Å; F28-F86 HydrophobicContact CE1-CE1 4.3Å; F28-F86 AromaticContact CE1-CZ 3.93Å; F28-F86 HydrophobicContact CE1-CZ 3.93Å; F28-F86 AromaticContact CZ-CE1 3.92Å; F28-F86 HydrophobicContact CZ-CE1 3.92Å; F28-F86 AromaticContact CZ-CZ 3.88Å; F28-F86 HydrophobicContact CZ-CZ 3.88Å; F28-V129 HydrophobicContact CD1-CG2 4.41Å; F28-V129 HydrophobicContact CE1-CG2 4.22Å; F28-G158 WeakPolarHBondContact CB-O 3.44Å; F28-G158 PolarHBondContact N-O 3.21Å; F28-L160 HydrophobicContact CB-CB 3.62Å; F28-L160 HydrophobicContact CD1-CB 3.69Å; F28-L160 HydrophobicContact CD1-CD2 4.49Å; F28-L160 HydrophobicContact CD2-CB 4.03Å; F28-L160 HydrophobicContact CD2-CD2 3.81Å; F28-L160 HydrophobicContact CE1-CB 4.36Å; F28-L160 HydrophobicContact CE2-CD2 3.88Å; F28-L160 HydrophobicContact CG-CB 3.49Å; F28-L160 VanDerWaalsContact CG-CB 3.49Å; F28-L160 HydrophobicContact CG-CD2 4.13Å; F28-L160 HydrophobicContact CG-CG 4.43Å; F28-L160 HydrophobicContact CZ-CD2 4.23Å
29	L	97.6	Very high	95.6	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	26%	0.258	C	S	.	.	S	Bend	trans	-93.5	140.7	170.7	-56.4	-177.4	0	0	0	110.9	N27 E33 E34 L37 F82 V129 L131 G158	N27-L29 PolarHBondContact O-N 3.02Å; L29-E33 HydrophobicContact CB-CB 4.25Å; L29-E33 HydrophobicContact CD2-CB 4.28Å; L29-E34 HydrophobicContact CB-CB 4.39Å; L29-E34 HydrophobicContact CD1-CB 4.27Å; L29-L37 HydrophobicContact CD1-CD1 3.65Å; L29-L37 HydrophobicContact CD2-CD1 4.27Å; L29-F82 HydrophobicContact CD2-CE2 3.87Å; L29-F82 HydrophobicContact CD2-CZ 4.13Å; L29-V129 HydrophobicContact CD1-CG1 3.73Å; L29-V129 HydrophobicContact CG-CG1 4.23Å; L29-L131 HydrophobicContact CD1-CD2 3.47Å; L29-L131 VanDerWaalsContact CD1-CD2 3.47Å; L29-G158 PolarHBondContact N-O 3.2Å
30	S	96.3	Very high	96.5	Very high	55 Å²	55	45.5 Å²	45.5	39%	0.385	24%	0.244	S	C	.	.			trans	-68.5	158.4	157.6	64.7	0	0	0	0	110.8	A32 E33 E34	S30-A32 PolarHBondContact O-N 3.21Å; S30-A32 VanDerWaalsContact O-N 3.15Å; S30-E33 WeakPolarHBondContact CB-OE2 3.3Å; S30-E33 PolarHBondContact N-OE2 3.43Å; S30-E33 PolarHBondContact O-N 3.4Å; S30-E33 VanDerWaalsContact O-N 3.07Å; S30-E33 VanDerWaalsContact OG-CG 3.32Å; S30-E33 WeakPolarHBondContact OG-CG 2.95Å; S30-E33 PolarHBondContact OG-N 3.44Å; S30-E33 PolarHBondContact OG-OE2 3.3Å; S30-E34 PolarHBondContact O-N 3.32Å
31	S	96.7	Very high	97.3	Very high	100 Å²	100	44.8 Å²	44.8	70%	0.699	24%	0.239	S	C	*	.	H	α-helix	trans	-58.5	-29.8	176.6	-48.8	0	0	0	0	113.1	K35	S31-K35 VanDerWaalsContact O-CB 3.29Å; S31-K35 WeakPolarHBondContact O-CB 3.44Å; S31-K35 PolarHBondContact O-N 3.02Å
32	A	98.1	Very high	97.7	Very high	74 Å²	74	47.2 Å²	47.2	61%	0.612	25%	0.248	S	C	*	.	H	α-helix	trans	-69.4	-42	176.2	0	0	0	0	0	112	S30 Y36	S30-A32 PolarHBondContact O-N 3.21Å; S30-A32 VanDerWaalsContact O-N 3.15Å; A32-Y36 WeakPolarHBondContact O-CB 3.32Å; A32-Y36 PolarHBondContact O-N 2.97Å
33	E	97.6	Very high	97.7	Very high	31 Å²	31	51 Å²	51	15%	0.145	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-42.7	176.9	-70.3	166.9	121.4	0	0	111.8	L29 S30 K35 Y36 L37 R85	L29-E33 HydrophobicContact CB-CB 4.25Å; L29-E33 HydrophobicContact CD2-CB 4.28Å; S30-E33 WeakPolarHBondContact CB-OE2 3.3Å; S30-E33 PolarHBondContact N-OE2 3.43Å; S30-E33 PolarHBondContact O-N 3.4Å; S30-E33 VanDerWaalsContact O-N 3.07Å; S30-E33 VanDerWaalsContact OG-CG 3.32Å; S30-E33 WeakPolarHBondContact OG-CG 2.95Å; S30-E33 PolarHBondContact OG-N 3.44Å; S30-E33 PolarHBondContact OG-OE2 3.3Å; E33-K35 VanDerWaalsContact C-N 3.33Å; E33-K35 PolarHBondContact O-N 2.85Å; E33-Y36 WeakPolarHBondContact O-CB 3.37Å; E33-Y36 PolarHBondContact O-N 3.36Å; E33-L37 WeakPolarHBondContact O-CG 3.28Å; E33-L37 PolarHBondContact O-N 3.49Å; E33-R85 IonicContact OE1-CZ 3.59Å; E33-R85 IonicContact OE1-NH1 3.91Å; E33-R85 PolarHBondContact OE1-NH1 3.3Å; E33-R85 IonicContact OE1-NH2 2.72Å; E33-R85 PolarHBondContact OE1-NH2 3.13Å
34	E	98.4	Very high	97.6	Very high	36 Å²	36	51.4 Å²	51.4	17%	0.168	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-48.8	174.7	-176.7	-178.8	-167.4	0	0	110.6	L29 S30 Y36 L37 W38 L131 G132 P157	L29-E34 HydrophobicContact CB-CB 4.39Å; L29-E34 HydrophobicContact CD1-CB 4.27Å; S30-E34 PolarHBondContact O-N 3.32Å; E34-Y36 VanDerWaalsContact C-N 3.33Å; E34-Y36 PolarHBondContact O-N 3.05Å; E34-L37 PolarHBondContact O-N 3.46Å; E34-W38 VanDerWaalsContact O-CB 3.28Å; E34-W38 WeakPolarHBondContact O-CB 3.31Å; E34-W38 PolarHBondContact O-N 2.76Å; E34-L131 HydrophobicContact CG-CB 4.3Å; E34-L131 HydrophobicContact CG-CD2 3.88Å; E34-L131 WeakPolarHBondContact OE1-CA 3.09Å; E34-G132 PolarHBondContact OE1-N 2.88Å; E34-P157 WeakPolarHBondContact OE1-CB 3.25Å
35	K	98.6	Very high	97	Very high	143 Å²	143	55.1 Å²	55.1	62%	0.622	31%	0.307	S	S	*	.	H	α-helix	trans	-62	-39.6	176.8	-173.9	175	-177.1	177.4	0	112.3	S31 E33 N39	S31-K35 VanDerWaalsContact O-CB 3.29Å; S31-K35 WeakPolarHBondContact O-CB 3.44Å; S31-K35 PolarHBondContact O-N 3.02Å; E33-K35 VanDerWaalsContact C-N 3.33Å; E33-K35 PolarHBondContact O-N 2.85Å; K35-N39 WeakPolarHBondContact O-CB 3.41Å; K35-N39 PolarHBondContact O-N 2.89Å; K35-N39 PolarHBondContact O-ND2 3.45Å
36	Y	98.6	Very high	96.1	Very high	115 Å²	115	62.2 Å²	62.2	45%	0.451	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-51	176	171.5	-99.1	0	0	0	111.7	A32 E33 E34 W38 N39 K40 W78	A32-Y36 WeakPolarHBondContact O-CB 3.32Å; A32-Y36 PolarHBondContact O-N 2.97Å; E33-Y36 WeakPolarHBondContact O-CB 3.37Å; E33-Y36 PolarHBondContact O-N 3.36Å; E34-Y36 VanDerWaalsContact C-N 3.33Å; E34-Y36 PolarHBondContact O-N 3.05Å; Y36-W38 PolarHBondContact O-N 3.35Å; Y36-N39 PolarHBondContact O-N 3.32Å; Y36-K40 HydrophobicContact CD1-CG 4.47Å; Y36-K40 HydrophobicContact CD2-CG 4.46Å; Y36-K40 HydrophobicContact CE1-CG 4.07Å; Y36-K40 HydrophobicContact CE2-CD 4.39Å; Y36-K40 VanDerWaalsContact CE2-CE 3.44Å; Y36-K40 HydrophobicContact CE2-CG 4.05Å; Y36-K40 WeakPolarHBondContact O-CG 3.16Å; Y36-K40 PolarHBondContact O-N 3.24Å; Y36-K40 VanDerWaalsContact OH-CE 3.25Å; Y36-K40 WeakPolarHBondContact OH-CE 3.31Å; Y36-W78 HydrophobicContact CE1-CB 4.41Å; Y36-W78 WeakPolarHBondContact OH-CB 3.43Å
37	L	98.7	Very high	95.5	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-63	-42.6	178.6	-69	173.9	0	0	0	111.5	L29 E33 E34 N39 K40 V41 W78 F82 L131	L29-L37 HydrophobicContact CD1-CD1 3.65Å; L29-L37 HydrophobicContact CD2-CD1 4.27Å; E33-L37 WeakPolarHBondContact O-CG 3.28Å; E33-L37 PolarHBondContact O-N 3.49Å; E34-L37 PolarHBondContact O-N 3.46Å; L37-N39 PolarHBondContact O-N 2.82Å; L37-K40 PolarHBondContact O-N 3.03Å; L37-V41 WeakPolarHBondContact O-CB 3.11Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 2.94Å; L37-W78 HydrophobicContact CD2-CE3 3.81Å; L37-W78 HydrophobicContact CD2-CZ3 3.73Å; L37-F82 HydrophobicContact CD1-CD2 4.13Å; L37-F82 HydrophobicContact CD1-CE1 4.2Å; L37-F82 HydrophobicContact CD1-CE2 3.74Å; L37-F82 HydrophobicContact CD1-CZ 3.77Å; L37-F82 HydrophobicContact CD2-CB 4.43Å; L37-F82 HydrophobicContact CD2-CD1 4.46Å; L37-F82 HydrophobicContact CD2-CD2 4.21Å; L37-F82 HydrophobicContact CD2-CG 4.12Å; L37-L131 HydrophobicContact CB-CD1 3.9Å; L37-L131 HydrophobicContact CB-CD2 4.49Å; L37-L131 HydrophobicContact CD1-CD2 4.35Å
38	W	98.8	Very high	95.3	Very high	68 Å²	68	66.7 Å²	66.7	26%	0.258	37%	0.366	S	S	.	.	H	α-helix	trans	-53.6	-52.4	174.1	-179.2	-87.6	0	0	0	111.4	E34 Y36 K40 V41 F42 L131 K207 V209	E34-W38 VanDerWaalsContact O-CB 3.28Å; E34-W38 WeakPolarHBondContact O-CB 3.31Å; E34-W38 PolarHBondContact O-N 2.76Å; Y36-W38 PolarHBondContact O-N 3.35Å; W38-K40 VanDerWaalsContact C-N 3.34Å; W38-K40 PolarHBondContact O-N 2.82Å; W38-V41 PolarHBondContact O-N 2.96Å; W38-F42 AromaticContact CD1-CD2 3.91Å; W38-F42 AromaticContact CD2-CD2 3.88Å; W38-F42 HydrophobicContact CD2-CD2 3.88Å; W38-F42 AromaticContact CD2-CE2 3.6Å; W38-F42 HydrophobicContact CD2-CE2 3.6Å; W38-F42 AromaticContact CE2-CD2 3.58Å; W38-F42 AromaticContact CE2-CE2 3.29Å; W38-F42 AromaticContact CE3-CE2 3.87Å; W38-F42 HydrophobicContact CE3-CE2 3.87Å; W38-F42 HydrophobicContact CG-CD2 4.1Å; W38-F42 HydrophobicContact CG-CE2 4.29Å; W38-F42 AromaticContact CH2-CE2 3.66Å; W38-F42 HydrophobicContact CH2-CE2 3.66Å; W38-F42 HydrophobicContact CH2-CZ 4.12Å; W38-F42 HydrophobicContact CZ2-CD2 4.05Å; W38-F42 AromaticContact CZ2-CE2 3.34Å; W38-F42 HydrophobicContact CZ2-CE2 3.34Å; W38-F42 AromaticContact CZ2-CZ 3.99Å; W38-F42 HydrophobicContact CZ2-CZ 3.99Å; W38-F42 AromaticContact CZ3-CE2 3.9Å; W38-F42 HydrophobicContact CZ3-CE2 3.9Å; W38-F42 AromaticContact NE1-CD2 3.58Å; W38-F42 AromaticContact NE1-CE2 3.81Å; W38-F42 VanDerWaalsContact O-CD2 3.3Å; W38-F42 WeakPolarHBondContact O-CD2 3.39Å; W38-F42 PolarHBondContact O-N 2.85Å; W38-L131 HydrophobicContact CE3-CB 4.14Å; W38-K207 HydrophobicContact CH2-CB 4.31Å; W38-K207 HydrophobicContact CH2-CD 3.68Å; W38-K207 HydrophobicContact CH2-CG 3.85Å; W38-K207 HydrophobicContact CZ2-CD 3.93Å; W38-V209 HydrophobicContact CE3-CG2 4.3Å; W38-V209 HydrophobicContact CH2-CG2 4.46Å; W38-V209 HydrophobicContact CZ3-CB 4.29Å; W38-V209 HydrophobicContact CZ3-CG2 3.88Å
39	N	98.7	Very high	95.2	Very high	88 Å²	88	67.7 Å²	67.7	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-41.6	179.1	-70.8	-18.1	0	0	0	111.9	K35 Y36 L37 F42 A43	K35-N39 WeakPolarHBondContact O-CB 3.41Å; K35-N39 PolarHBondContact O-N 2.89Å; K35-N39 PolarHBondContact O-ND2 3.45Å; Y36-N39 PolarHBondContact O-N 3.32Å; L37-N39 PolarHBondContact O-N 2.82Å; N39-F42 PolarHBondContact O-N 3.22Å; N39-A43 WeakPolarHBondContact O-CB 3.28Å; N39-A43 PolarHBondContact O-N 3.24Å
40	K	98.4	Very high	95	Very high	81 Å²	81	71.6 Å²	71.6	35%	0.352	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-40.8	177.8	-71.9	-63.3	-172.2	-179.8	0	112.9	Y36 L37 W38 A43 A44 W78	Y36-K40 HydrophobicContact CD1-CG 4.47Å; Y36-K40 HydrophobicContact CD2-CG 4.46Å; Y36-K40 HydrophobicContact CE1-CG 4.07Å; Y36-K40 HydrophobicContact CE2-CD 4.39Å; Y36-K40 VanDerWaalsContact CE2-CE 3.44Å; Y36-K40 HydrophobicContact CE2-CG 4.05Å; Y36-K40 WeakPolarHBondContact O-CG 3.16Å; Y36-K40 PolarHBondContact O-N 3.24Å; Y36-K40 VanDerWaalsContact OH-CE 3.25Å; Y36-K40 WeakPolarHBondContact OH-CE 3.31Å; L37-K40 PolarHBondContact O-N 3.03Å; W38-K40 VanDerWaalsContact C-N 3.34Å; W38-K40 PolarHBondContact O-N 2.82Å; K40-A43 PolarHBondContact O-N 3.32Å; K40-A44 PolarHBondContact O-N 3.15Å; K40-W78 HydrophobicContact CB-CD2 3.57Å; K40-W78 HydrophobicContact CB-CE3 3.92Å; K40-W78 HydrophobicContact CB-CG 3.94Å; K40-W78 HydrophobicContact CB-CH2 4.41Å; K40-W78 HydrophobicContact CB-CZ2 4.09Å; K40-W78 HydrophobicContact CB-CZ3 4.33Å; K40-W78 HydrophobicContact CD-CB 4.21Å; K40-W78 HydrophobicContact CD-CD2 4.48Å; K40-W78 HydrophobicContact CD-CG 3.92Å; K40-W78 HydrophobicContact CG-CB 4.17Å; K40-W78 HydrophobicContact CG-CD2 3.97Å; K40-W78 HydrophobicContact CG-CE3 4.4Å; K40-W78 HydrophobicContact CG-CG 3.84Å
41	V	98.2	Very high	94.9	Very high	0 Å²	0	77 Å²	77	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-59.9	-48.4	175.2	162	0	0	0	0	110.8	L37 W38 A44 W49 Q58 W78 V104 V209 L211	L37-V41 WeakPolarHBondContact O-CB 3.11Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 2.94Å; W38-V41 PolarHBondContact O-N 2.96Å; V41-A44 VanDerWaalsContact O-CB 3.28Å; V41-A44 WeakPolarHBondContact O-CB 3.32Å; V41-A44 PolarHBondContact O-N 2.93Å; V41-W49 HydrophobicContact CG1-CH2 3.82Å; V41-W49 HydrophobicContact CG1-CZ2 3.57Å; V41-Q58 PolarHBondContact O-NE2 3.48Å; V41-W78 HydrophobicContact CG2-CH2 3.83Å; V41-W78 HydrophobicContact CG2-CZ2 4.48Å; V41-V104 HydrophobicContact CB-CG1 4.41Å; V41-V104 HydrophobicContact CG1-CG1 3.62Å; V41-V104 HydrophobicContact CG2-CG1 3.86Å; V41-V209 HydrophobicContact CG1-CG1 4.12Å; V41-V209 HydrophobicContact CG1-CG2 4.45Å; V41-V209 HydrophobicContact CG2-CG1 4.49Å; V41-L211 HydrophobicContact CG2-CD1 4.37Å
42	F	97.7	Very high	94.8	Very high	65 Å²	65	75.3 Å²	75.3	29%	0.285	40%	0.396	S	S	.	.	H	α-helix	trans	-79.2	-19.6	-177.6	-74.8	-71.2	0	0	0	114.1	W38 N39 A44 W49 E106 K207 V209	W38-F42 AromaticContact CD1-CD2 3.91Å; W38-F42 AromaticContact CD2-CD2 3.88Å; W38-F42 HydrophobicContact CD2-CD2 3.88Å; W38-F42 AromaticContact CD2-CE2 3.6Å; W38-F42 HydrophobicContact CD2-CE2 3.6Å; W38-F42 AromaticContact CE2-CD2 3.58Å; W38-F42 AromaticContact CE2-CE2 3.29Å; W38-F42 AromaticContact CE3-CE2 3.87Å; W38-F42 HydrophobicContact CE3-CE2 3.87Å; W38-F42 HydrophobicContact CG-CD2 4.1Å; W38-F42 HydrophobicContact CG-CE2 4.29Å; W38-F42 AromaticContact CH2-CE2 3.66Å; W38-F42 HydrophobicContact CH2-CE2 3.66Å; W38-F42 HydrophobicContact CH2-CZ 4.12Å; W38-F42 HydrophobicContact CZ2-CD2 4.05Å; W38-F42 AromaticContact CZ2-CE2 3.34Å; W38-F42 HydrophobicContact CZ2-CE2 3.34Å; W38-F42 AromaticContact CZ2-CZ 3.99Å; W38-F42 HydrophobicContact CZ2-CZ 3.99Å; W38-F42 AromaticContact CZ3-CE2 3.9Å; W38-F42 HydrophobicContact CZ3-CE2 3.9Å; W38-F42 AromaticContact NE1-CD2 3.58Å; W38-F42 AromaticContact NE1-CE2 3.81Å; W38-F42 VanDerWaalsContact O-CD2 3.3Å; W38-F42 WeakPolarHBondContact O-CD2 3.39Å; W38-F42 PolarHBondContact O-N 2.85Å; N39-F42 PolarHBondContact O-N 3.22Å; F42-A44 VanDerWaalsContact C-N 3.27Å; F42-W49 HydrophobicContact CD1-CZ2 4.18Å; F42-W49 HydrophobicContact CE1-CZ2 4.05Å; F42-E106 WeakPolarHBondContact CE1-OE1 3.42Å; F42-K207 HydrophobicContact CZ-CD 4.16Å; F42-V209 HydrophobicContact CE2-CG2 3.78Å; F42-V209 HydrophobicContact CZ-CG2 3.72Å
43	A	96.6	Very high	94.4	Very high	79 Å²	79	78.9 Å²	78.9	65%	0.653	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	1.6	170.8	0	0	0	0	0	113.7	N39 K40	N39-A43 WeakPolarHBondContact O-CB 3.28Å; N39-A43 PolarHBondContact O-N 3.24Å; K40-A43 PolarHBondContact O-N 3.32Å
44	A	93.4	Very high	94.2	Very high	11 Å²	11	80 Å²	80	9%	0.091	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-55.4	138.5	176.3	0	0	0	0	0	110.8	K40 V41 F42 R48 W60	K40-A44 PolarHBondContact O-N 3.15Å; V41-A44 VanDerWaalsContact O-CB 3.28Å; V41-A44 WeakPolarHBondContact O-CB 3.32Å; V41-A44 PolarHBondContact O-N 2.93Å; F42-A44 VanDerWaalsContact C-N 3.27Å; A44-R48 HydrophobicContact CB-CB 4.13Å; A44-R48 HydrophobicContact CB-CG 4.45Å; A44-W60 HydrophobicContact CB-CZ2 4.18Å
45	P	85.8	Confident	94.1	Very high	78 Å²	78	79.3 Å²	79.3	51%	0.506	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-60.5	153	-174.8	23	-32	0	0	0	111.4	R48	P45-R48 HydrophobicContact CG-CG 3.8Å; P45-R48 WeakPolarHBondContact O-CB 3.28Å; P45-R48 WeakPolarHBondContact O-CG 3.37Å; P45-R48 PolarHBondContact O-N 2.77Å
46	L	79.6	Confident	94	Very high	149 Å²	149	76.2 Å²	76.2	78%	0.78	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	137.6	170.5	-64.2	174.4	0	0	0	109.3
47	P	84.6	Confident	94	Very high	123 Å²	123	71.8 Å²	71.8	80%	0.799	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94.7	100.9	-0.7	34.7	-29.6	0	0	0	112.4
48	R	91.1	Very high	93.9	Very high	84 Å²	84	71.6 Å²	71.6	32%	0.317	39%	0.389	S	S	.	.			trans	-104.3	-15.7	169.4	-70.7	-69.9	172.4	178.2	2	114.8	A44 P45 Q58 W60 D74	A44-R48 HydrophobicContact CB-CB 4.13Å; A44-R48 HydrophobicContact CB-CG 4.45Å; P45-R48 HydrophobicContact CG-CG 3.8Å; P45-R48 WeakPolarHBondContact O-CB 3.28Å; P45-R48 WeakPolarHBondContact O-CG 3.37Å; P45-R48 PolarHBondContact O-N 2.77Å; R48-Q58 WeakPolarHBondContact O-CA 3.47Å; R48-W60 HydrophobicContact CG-CH2 3.98Å; R48-W60 HydrophobicContact CG-CZ2 4.24Å; R48-D74 IonicContact CZ-OD2 3Å; R48-D74 IonicContact NH1-OD2 3.27Å; R48-D74 PolarHBondContact NH1-OD2 2.94Å; R48-D74 IonicContact NH2-OD2 2.72Å
49	W	95.3	Very high	93.8	Very high	31 Å²	31	71.1 Å²	71.1	12%	0.117	39%	0.391	C	S	.	.			trans	-98.6	119.3	178.4	-70.8	100.8	0	0	0	111	V41 F42 R56 Q58 V104 E106	V41-W49 HydrophobicContact CG1-CH2 3.82Å; V41-W49 HydrophobicContact CG1-CZ2 3.57Å; F42-W49 HydrophobicContact CD1-CZ2 4.18Å; F42-W49 HydrophobicContact CE1-CZ2 4.05Å; W49-R56 HydrophobicContact CD2-CB 4.4Å; W49-R56 HydrophobicContact CE3-CB 3.63Å; W49-R56 HydrophobicContact CZ3-CB 4.07Å; W49-Q58 HydrophobicContact CD2-CG 3.65Å; W49-Q58 HydrophobicContact CE3-CG 3.58Å; W49-Q58 HydrophobicContact CG-CG 4.31Å; W49-Q58 HydrophobicContact CH2-CG 4Å; W49-Q58 HydrophobicContact CZ2-CG 4.05Å; W49-Q58 HydrophobicContact CZ3-CG 3.77Å; W49-Q58 VanDerWaalsContact NE1-NE2 3.18Å; W49-V104 HydrophobicContact CH2-CG1 4.11Å; W49-E106 HydrophobicContact CH2-CB 3.91Å; W49-E106 HydrophobicContact CZ3-CB 3.81Å
50	T	94.7	Very high	93.7	Very high	89 Å²	89	67.3 Å²	67.3	55%	0.546	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.4	172.5	-57.6	0	0	0	0	109.6	R56 V57	T50-R56 CarbonylContact O-C 3.56Å; T50-R56 WeakPolarHBondContact O-CA 3.23Å; T50-V57 PolarHBondContact N-O 2.99Å; T50-V57 PolarHBondContact O-N 2.83Å
51	K	94.5	Very high	93.6	Very high	167 Å²	167	63.5 Å²	63.5	73%	0.726	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.1	173	-73	-175	179.4	-178.6	0	110.8	R55 R56	K51-R55 CarbonylContact C-O 3.58Å; K51-R55 WeakPolarHBondContact CA-O 3.48Å; K51-R56 HydrophobicContact CG-CG 4.02Å
52	V	92.7	Very high	93.3	Very high	65 Å²	65	63.7 Å²	63.7	39%	0.394	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	116.8	175.1	179.5	0	0	0	0	108.6	G54 R55 V57	V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 PolarHBondContact O-N 3.25Å; V52-R55 PolarHBondContact N-O 2.88Å; V52-R55 PolarHBondContact O-N 3.31Å; V52-V57 HydrophobicContact CB-CG1 4.27Å; V52-V57 HydrophobicContact CG2-CG1 3.62Å
53	N	91.6	Very high	93	Very high	149 Å²	149	66 Å²	66	80%	0.797	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	47.7	-178.1	-60	-22.4	0	0	0	112.6	R55	N53-R55 PolarHBondContact O-N 3.38Å
54	G	92.2	Very high	92.8	Very high	54 Å²	54	64.3 Å²	64.3	56%	0.557	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-14.6	178.8	0	0	0	0	0	116	V52 Q111	V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 PolarHBondContact O-N 3.25Å; G54-Q111 PolarHBondContact O-NE2 2.84Å
55	R	96.1	Very high	92.5	Very high	22 Å²	22	65.5 Å²	65.5	8%	0.083	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	164.6	176.4	-65.3	174.1	-68.1	145.6	4.9	111.3	K51 V52 N53 Y107 Q111 G112	K51-R55 CarbonylContact C-O 3.58Å; K51-R55 WeakPolarHBondContact CA-O 3.48Å; V52-R55 PolarHBondContact N-O 2.88Å; V52-R55 PolarHBondContact O-N 3.31Å; N53-R55 PolarHBondContact O-N 3.38Å; R55-Y107 HydrophobicContact CG-CD1 4.32Å; R55-Y107 HydrophobicContact CG-CE1 4.46Å; R55-Y107 PolarHBondContact NH1-OH 2.85Å; R55-Q111 HydrophobicContact CG-CB 4.25Å; R55-G112 VanDerWaalsContact CD-O 3.25Å; R55-G112 WeakPolarHBondContact CD-O 3.32Å; R55-G112 PolarHBondContact NE-O 2.75Å
56	R	97.3	Very high	92.4	Very high	78 Å²	78	71.4 Å²	71.4	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.2	173.2	-72	174.2	60.8	-152.6	10.8	110.5	W49 T50 K51 E106	W49-R56 HydrophobicContact CD2-CB 4.4Å; W49-R56 HydrophobicContact CE3-CB 3.63Å; W49-R56 HydrophobicContact CZ3-CB 4.07Å; T50-R56 CarbonylContact O-C 3.56Å; T50-R56 WeakPolarHBondContact O-CA 3.23Å; K51-R56 HydrophobicContact CG-CG 4.02Å; R56-E106 HydrophobicContact CB-CB 4.18Å; R56-E106 VanDerWaalsContact CD-OE2 3.23Å; R56-E106 WeakPolarHBondContact CD-OE2 3.5Å; R56-E106 IonicContact CZ-OE2 2.72Å; R56-E106 IonicContact NE-OE2 2.76Å; R56-E106 IonicContact NH1-OE1 3.71Å; R56-E106 IonicContact NH1-OE2 3.18Å; R56-E106 PolarHBondContact NH1-OE2 3.18Å; R56-E106 PolarHBondContact O-N 2.86Å
57	V	97.5	Very high	92.6	Very high	22 Å²	22	71.6 Å²	71.6	13%	0.133	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.5	-179.6	62.5	0	0	0	0	111.1	T50 V52 L103 V104 N105	T50-V57 PolarHBondContact N-O 2.99Å; T50-V57 PolarHBondContact O-N 2.83Å; V52-V57 HydrophobicContact CB-CG1 4.27Å; V52-V57 HydrophobicContact CG2-CG1 3.62Å; V57-L103 HydrophobicContact CG2-CB 4.42Å; V57-L103 HydrophobicContact CG2-CD2 4.28Å; V57-V104 CarbonylContact C-O 3.34Å; V57-V104 VanDerWaalsContact CA-O 3.26Å; V57-V104 WeakPolarHBondContact CA-O 3.05Å; V57-N105 WeakPolarHBondContact CG2-OD1 3.42Å
58	Q	97.3	Very high	92.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.8	160.1	-45	178	-2.7	0	0	109	V41 R48 W49 L103 V104	V41-Q58 PolarHBondContact O-NE2 3.48Å; R48-Q58 WeakPolarHBondContact O-CA 3.47Å; W49-Q58 HydrophobicContact CD2-CG 3.65Å; W49-Q58 HydrophobicContact CE3-CG 3.58Å; W49-Q58 HydrophobicContact CG-CG 4.31Å; W49-Q58 HydrophobicContact CH2-CG 4Å; W49-Q58 HydrophobicContact CZ2-CG 4.05Å; W49-Q58 HydrophobicContact CZ3-CG 3.77Å; W49-Q58 VanDerWaalsContact NE1-NE2 3.18Å; Q58-L103 WeakPolarHBondContact O-CA 3.39Å; Q58-V104 HydrophobicContact CB-CB 3.95Å; Q58-V104 HydrophobicContact CB-CG2 4.34Å; Q58-V104 HydrophobicContact CG-CB 4.09Å; Q58-V104 PolarHBondContact N-O 2.91Å; Q58-V104 PolarHBondContact O-N 2.82Å
59	N	95.9	Very high	93	Very high	59 Å²	59	62.4 Å²	62.4	32%	0.316	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.6	171.5	-177.3	-30.4	0	0	0	108.7	G62 H101 L103	N59-G62 PolarHBondContact ND2-O 2.89Å; N59-G62 PolarHBondContact OD1-O 2.95Å; N59-H101 PolarHBondContact ND2-NE2 3.26Å; N59-H101 PolarHBondContact OD1-CD2 2.96Å; N59-H101 PolarHBondContact OD1-NE2 2.82Å; N59-H101 VanDerWaalsContact OD1-NE2 3.1Å; N59-L103 HydrophobicContact CB-CD2 3.75Å
60	W	97	Very high	92.8	Very high	8 Å²	8	64.5 Å²	64.5	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.6	178.5	-61.6	105.2	0	0	0	111.1	A44 R48 D74 I75 P76 L79 H101 V102	A44-W60 HydrophobicContact CB-CZ2 4.18Å; R48-W60 HydrophobicContact CG-CH2 3.98Å; R48-W60 HydrophobicContact CG-CZ2 4.24Å; W60-D74 WeakPolarHBondContact CZ3-O 3.29Å; W60-I75 HydrophobicContact CB-CG1 4.23Å; W60-P76 HydrophobicContact CE3-CG 4.45Å; W60-P76 HydrophobicContact CH2-CG 4.22Å; W60-P76 HydrophobicContact CZ2-CG 4.35Å; W60-P76 HydrophobicContact CZ3-CG 4.29Å; W60-L79 HydrophobicContact CB-CD2 3.96Å; W60-L79 HydrophobicContact CD2-CD2 4.46Å; W60-L79 HydrophobicContact CG-CD2 3.75Å; W60-H101 WeakPolarHBondContact O-CA 3.37Å; W60-H101 PolarHBondContact O-CD2 2.91Å; W60-H101 VanDerWaalsContact O-CD2 3.3Å; W60-V102 HydrophobicContact CB-CB 4.37Å; W60-V102 PolarHBondContact N-O 2.85Å; W60-V102 PolarHBondContact O-N 3.37Å
61	G	95.6	Very high	92.7	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	99	-9.9	178.9	0	0	0	0	0	114.5	Q71 V72 D74	G61-Q71 WeakPolarHBondContact O-CA 3.35Å; G61-V72 CarbonylContact C-O 3.29Å; G61-V72 VanDerWaalsContact C-O 3.29Å; G61-V72 WeakPolarHBondContact CA-O 3.48Å; G61-V72 PolarHBondContact O-N 2.86Å; G61-D74 PolarHBondContact N-OD1 2.99Å
62	G	93.1	Very high	92.5	Very high	4 Å²	4	57.9 Å²	57.9	4%	0.041	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-169.1	170.9	0	0	0	0	0	115	N59 I70	N59-G62 PolarHBondContact ND2-O 2.89Å; N59-G62 PolarHBondContact OD1-O 2.95Å; G62-I70 CarbonylContact C-O 3.52Å; G62-I70 VanDerWaalsContact CA-O 3.28Å; G62-I70 WeakPolarHBondContact CA-O 3.43Å
63	I	91.7	Very high	92.2	Very high	113 Å²	113	62 Å²	62	58%	0.579	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	123.8	-173.8	-60.2	167.4	0	0	0	109.8	G65 I70	I63-G65 PolarHBondContact O-N 3.3Å; I63-I70 HydrophobicContact CB-CB 4.46Å; I63-I70 PolarHBondContact N-O 3.38Å; I63-I70 PolarHBondContact O-N 2.86Å
64	V	91.2	Very high	92.3	Very high	45 Å²	45	56.7 Å²	56.7	27%	0.273	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	110.2	179.7	-171.4	0	0	0	0	109.9	L69 H101 A121 Y122 I216	V64-L69 HydrophobicContact CG2-CD1 4.23Å; V64-H101 VanDerWaalsContact CG2-NE2 3.3Å; V64-H101 WeakPolarHBondContact CG2-NE2 3.26Å; V64-A121 HydrophobicContact CG1-CB 4.35Å; V64-Y122 HydrophobicContact CG1-CE2 4.3Å; V64-I216 HydrophobicContact CB-CD1 4.27Å; V64-I216 HydrophobicContact CG1-CD1 3.9Å; V64-I216 HydrophobicContact CG2-CD1 3.49Å; V64-I216 VanDerWaalsContact CG2-CD1 3.49Å
65	G	87.9	Confident	92.5	Very high	35 Å²	35	56.2 Å²	56.2	36%	0.361	29%	0.287	S	S	.	.			trans	-85	-178.7	167.6	0	0	0	0	0	112	I63 K67 A68	I63-G65 PolarHBondContact O-N 3.3Å; G65-K67 PolarHBondContact O-N 3.45Å; G65-K67 VanDerWaalsContact O-N 3.16Å; G65-A68 WeakPolarHBondContact CA-O 3Å; G65-A68 PolarHBondContact N-O 2.94Å
66	K	83	Confident	92.5	Very high	202 Å²	202	56.8 Å²	56.8	88%	0.878	29%	0.293	S	S	*	.	S	Bend	trans	-58.3	-31.5	-177.6	-70.3	-173.2	177.8	-177.8	0	114.7
67	K	84.3	Confident	92.5	Very high	153 Å²	153	61 Å²	61	67%	0.665	32%	0.316	S	S	*	.	S	Bend	trans	-134.6	-3.9	-173.7	-65.5	-171.1	177.2	-175	0	114	G65 R218	G65-K67 PolarHBondContact O-N 3.45Å; G65-K67 VanDerWaalsContact O-N 3.16Å; K67-R218 WeakPolarHBondContact O-CB 3.36Å; K67-R218 WeakPolarHBondContact O-CD 3.36Å
68	A	90.6	Very high	92.5	Very high	14 Å²	14	61.4 Å²	61.4	12%	0.116	32%	0.316	C	S	.	.			trans	-154.6	152.9	-172.1	0	0	0	0	0	111.5	G65 R218 V220	G65-A68 WeakPolarHBondContact CA-O 3Å; G65-A68 PolarHBondContact N-O 2.94Å; A68-R218 CarbonylContact C-O 3.59Å; A68-R218 WeakPolarHBondContact CA-O 3.25Å; A68-R218 HydrophobicContact CB-CB 4.2Å; A68-R218 HydrophobicContact CB-CG 3.77Å; A68-R218 WeakPolarHBondContact CB-O 3.48Å; A68-V220 HydrophobicContact CB-CG2 4.01Å
69	L	93	Very high	92.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.3	167.6	177.3	61.6	0	0	0	108.8	V64 Q71 I216 R218 V219 V220	V64-L69 HydrophobicContact CG2-CD1 4.23Å; L69-Q71 HydrophobicContact CD2-CB 4.2Å; L69-Q71 HydrophobicContact CD2-CG 4.47Å; L69-Q71 HydrophobicContact CG-CB 4.16Å; L69-Q71 PolarHBondContact O-N 3.06Å; L69-I216 HydrophobicContact CB-CB 3.87Å; L69-I216 HydrophobicContact CB-CD1 3.84Å; L69-I216 HydrophobicContact CB-CG1 4.48Å; L69-I216 HydrophobicContact CB-CG2 3.6Å; L69-I216 HydrophobicContact CD1-CD1 3.94Å; L69-I216 HydrophobicContact CD2-CB 4.47Å; L69-I216 HydrophobicContact CD2-CD1 4.31Å; L69-I216 HydrophobicContact CG-CD1 4.24Å; L69-R218 PolarHBondContact N-O 3.08Å; L69-V219 HydrophobicContact CB-CG2 4.5Å; L69-V220 PolarHBondContact O-N 3.46Å
70	I	92.6	Very high	92.6	Very high	75 Å²	75	61 Å²	61	39%	0.385	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	93.9	161.1	-57.4	173.6	0	0	0	105.7	G62 I63 V220 A222	G62-I70 CarbonylContact C-O 3.52Å; G62-I70 VanDerWaalsContact CA-O 3.28Å; G62-I70 WeakPolarHBondContact CA-O 3.43Å; I63-I70 HydrophobicContact CB-CB 4.46Å; I63-I70 PolarHBondContact N-O 3.38Å; I63-I70 PolarHBondContact O-N 2.86Å; I70-V220 CarbonylContact C-O 3.59Å; I70-V220 WeakPolarHBondContact CA-O 3.37Å; I70-A222 HydrophobicContact CG2-CB 4.14Å
71	Q	91.8	Very high	92.6	Very high	57 Å²	57	64.4 Å²	64.4	27%	0.266	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.7	-168.8	-179.3	175.5	41.8	0	0	111.1	G61 L69 V219 V220	G61-Q71 WeakPolarHBondContact O-CA 3.35Å; L69-Q71 HydrophobicContact CD2-CB 4.2Å; L69-Q71 HydrophobicContact CD2-CG 4.47Å; L69-Q71 HydrophobicContact CG-CB 4.16Å; L69-Q71 PolarHBondContact O-N 3.06Å; Q71-V219 HydrophobicContact CB-CG1 3.45Å; Q71-V219 VanDerWaalsContact CB-CG1 3.45Å; Q71-V219 HydrophobicContact CG-CG1 4.31Å; Q71-V220 PolarHBondContact N-O 2.86Å
72	V	89.9	Confident	92.6	Very high	61 Å²	61	64.9 Å²	64.9	37%	0.37	34%	0.344	S	S	.	.			trans	-124.4	129.4	171.1	-176.1	0	0	0	0	106.8	G61 D74	G61-V72 CarbonylContact C-O 3.29Å; G61-V72 VanDerWaalsContact C-O 3.29Å; G61-V72 WeakPolarHBondContact CA-O 3.48Å; G61-V72 PolarHBondContact O-N 2.86Å; V72-D74 HydrophobicContact CG1-CB 3.95Å; V72-D74 PolarHBondContact O-N 2.94Å
73	N	87.1	Confident	92.8	Very high	152 Å²	152	65 Å²	65	81%	0.813	34%	0.344	S	S	*	.			trans	-81.9	59.7	-179.5	-67.2	-23	0	0	0	110.6
74	D	93.8	Very high	92.9	Very high	36 Å²	36	63.1 Å²	63.1	19%	0.193	33%	0.333	C	S	.	.			trans	-111.9	4.6	-176.2	72.4	-15.4	0	0	0	114.4	R48 W60 G61 V72 P76	R48-D74 IonicContact CZ-OD2 3Å; R48-D74 IonicContact NH1-OD2 3.27Å; R48-D74 PolarHBondContact NH1-OD2 2.94Å; R48-D74 IonicContact NH2-OD2 2.72Å; W60-D74 WeakPolarHBondContact CZ3-O 3.29Å; G61-D74 PolarHBondContact N-OD1 2.99Å; V72-D74 HydrophobicContact CG1-CB 3.95Å; V72-D74 PolarHBondContact O-N 2.94Å; D74-P76 WeakPolarHBondContact O-CD 3.27Å
75	I	95.7	Very high	93	Very high	45 Å²	45	65.8 Å²	65.8	23%	0.231	34%	0.338	C	S	.	.			trans	-63.2	118.4	175.7	-56.6	-179.6	0	0	0	109	W60 L79 M83	W60-I75 HydrophobicContact CB-CG1 4.23Å; I75-L79 HydrophobicContact CG2-CB 4.02Å; I75-L79 HydrophobicContact CG2-CD2 4.17Å; I75-L79 HydrophobicContact CG2-CG 4.02Å; I75-M83 HydrophobicContact CD1-CE 3.92Å; I75-M83 HydrophobicContact CD1-SD 4.04Å; I75-M83 HydrophobicContact CG2-SD 3.84Å
76	P	96.3	Very high	93.4	Very high	33 Å²	33	64.1 Å²	64.1	21%	0.214	32%	0.321	C	S	.	.			trans	-72.1	154.3	-178.7	30.2	-35.5	0	0	0	111	W60 D74 W78 L79 S80	W60-P76 HydrophobicContact CE3-CG 4.45Å; W60-P76 HydrophobicContact CH2-CG 4.22Å; W60-P76 HydrophobicContact CZ2-CG 4.35Å; W60-P76 HydrophobicContact CZ3-CG 4.29Å; D74-P76 WeakPolarHBondContact O-CD 3.27Å; P76-W78 VanDerWaalsContact C-N 3.29Å; P76-W78 HydrophobicContact CG-CZ2 4.2Å; P76-W78 VanDerWaalsContact CG-NE1 3.26Å; P76-W78 PolarHBondContact O-N 2.78Å; P76-L79 HydrophobicContact CG-CB 3.86Å; P76-L79 WeakPolarHBondContact O-CA 3.36Å; P76-L79 WeakPolarHBondContact O-CB 3.37Å; P76-L79 PolarHBondContact O-N 2.88Å; P76-S80 PolarHBondContact O-N 3.3Å
77	E	97	Very high	93.8	Very high	166 Å²	166	55.5 Å²	55.5	78%	0.776	29%	0.286	S	S	*	.	H	α-helix	trans	-53.4	-41.3	-174.9	-174	-176	-177.5	0	0	113.9	L79 S80 S81	E77-L79 PolarHBondContact O-N 2.82Å; E77-S80 WeakPolarHBondContact CA-OG 3.46Å; E77-S80 PolarHBondContact O-N 2.91Å; E77-S80 PolarHBondContact O-OG 3Å; E77-S81 VanDerWaalsContact O-CB 3.23Å; E77-S81 WeakPolarHBondContact O-CB 3.43Å; E77-S81 PolarHBondContact O-N 2.73Å
78	W	97.4	Very high	94.2	Very high	32 Å²	32	53.4 Å²	53.4	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-33.4	178.6	70.9	-96.1	0	0	0	112.1	Y36 L37 K40 V41 P76 F82 L211	Y36-W78 HydrophobicContact CE1-CB 4.41Å; Y36-W78 WeakPolarHBondContact OH-CB 3.43Å; L37-W78 HydrophobicContact CD2-CE3 3.81Å; L37-W78 HydrophobicContact CD2-CZ3 3.73Å; K40-W78 HydrophobicContact CB-CD2 3.57Å; K40-W78 HydrophobicContact CB-CE3 3.92Å; K40-W78 HydrophobicContact CB-CG 3.94Å; K40-W78 HydrophobicContact CB-CH2 4.41Å; K40-W78 HydrophobicContact CB-CZ2 4.09Å; K40-W78 HydrophobicContact CB-CZ3 4.33Å; K40-W78 HydrophobicContact CD-CB 4.21Å; K40-W78 HydrophobicContact CD-CD2 4.48Å; K40-W78 HydrophobicContact CD-CG 3.92Å; K40-W78 HydrophobicContact CG-CB 4.17Å; K40-W78 HydrophobicContact CG-CD2 3.97Å; K40-W78 HydrophobicContact CG-CE3 4.4Å; K40-W78 HydrophobicContact CG-CG 3.84Å; V41-W78 HydrophobicContact CG2-CH2 3.83Å; V41-W78 HydrophobicContact CG2-CZ2 4.48Å; P76-W78 VanDerWaalsContact C-N 3.29Å; P76-W78 HydrophobicContact CG-CZ2 4.2Å; P76-W78 VanDerWaalsContact CG-NE1 3.26Å; P76-W78 PolarHBondContact O-N 2.78Å; W78-F82 WeakPolarHBondContact O-CB 3.4Å; W78-F82 PolarHBondContact O-N 3.19Å; W78-L211 HydrophobicContact CH2-CD2 4.41Å; W78-L211 HydrophobicContact CZ3-CD2 4.19Å
79	L	97.9	Very high	94.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-83.4	-40.2	-178.6	-176.8	56.3	0	0	0	110.6	W60 I75 P76 E77 S81 F82 M83 V102 L211	W60-L79 HydrophobicContact CB-CD2 3.96Å; W60-L79 HydrophobicContact CD2-CD2 4.46Å; W60-L79 HydrophobicContact CG-CD2 3.75Å; I75-L79 HydrophobicContact CG2-CB 4.02Å; I75-L79 HydrophobicContact CG2-CD2 4.17Å; I75-L79 HydrophobicContact CG2-CG 4.02Å; P76-L79 HydrophobicContact CG-CB 3.86Å; P76-L79 WeakPolarHBondContact O-CA 3.36Å; P76-L79 WeakPolarHBondContact O-CB 3.37Å; P76-L79 PolarHBondContact O-N 2.88Å; E77-L79 PolarHBondContact O-N 2.82Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-F82 PolarHBondContact O-N 3.28Å; L79-M83 HydrophobicContact CD1-CG 4.45Å; L79-M83 HydrophobicContact CG-CG 4.48Å; L79-M83 HydrophobicContact CG-SD 4.09Å; L79-M83 WeakPolarHBondContact O-CB 3.41Å; L79-M83 WeakPolarHBondContact O-CG 3.44Å; L79-M83 PolarHBondContact O-N 3.08Å; L79-V102 HydrophobicContact CD1-CG1 4.28Å; L79-V102 HydrophobicContact CD1-CG2 4.32Å; L79-V102 HydrophobicContact CD2-CB 4.02Å; L79-V102 HydrophobicContact CD2-CG1 4.19Å; L79-V102 HydrophobicContact CD2-CG2 4.11Å; L79-V102 HydrophobicContact CG-CG2 4.3Å; L79-L211 HydrophobicContact CD1-CD2 4.01Å
80	S	97.3	Very high	94.2	Very high	49 Å²	49	57.1 Å²	57.1	34%	0.343	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-42	173.7	62.4	0	0	0	0	111.5	P76 E77 F82 M83 E84	P76-S80 PolarHBondContact O-N 3.3Å; E77-S80 WeakPolarHBondContact CA-OG 3.46Å; E77-S80 PolarHBondContact O-N 2.91Å; E77-S80 PolarHBondContact O-OG 3Å; S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact O-N 2.97Å; S80-M83 PolarHBondContact O-N 3.47Å; S80-E84 PolarHBondContact O-N 3.41Å
81	S	96.6	Very high	94.2	Very high	81 Å²	81	56.6 Å²	56.6	57%	0.566	32%	0.32	S	S	*	.	H	α-helix	trans	-59.2	-41	172.7	-179.2	0	0	0	0	112.1	E77 L79 E84	E77-S81 VanDerWaalsContact O-CB 3.23Å; E77-S81 WeakPolarHBondContact O-CB 3.43Å; E77-S81 PolarHBondContact O-N 2.73Å; L79-S81 VanDerWaalsContact C-N 3.34Å; S81-E84 PolarHBondContact O-N 2.89Å
82	F	97.2	Very high	94.2	Very high	9 Å²	9	54 Å²	54	4%	0.039	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-40.6	175.5	-172.6	-115.4	0	0	0	112.5	F28 L29 L37 W78 L79 S80 E84 R85 F86 V129 L211 I213	F28-F82 HydrophobicContact CE1-CE2 4.28Å; F28-F82 HydrophobicContact CE1-CZ 4.06Å; L29-F82 HydrophobicContact CD2-CE2 3.87Å; L29-F82 HydrophobicContact CD2-CZ 4.13Å; L37-F82 HydrophobicContact CD1-CD2 4.13Å; L37-F82 HydrophobicContact CD1-CE1 4.2Å; L37-F82 HydrophobicContact CD1-CE2 3.74Å; L37-F82 HydrophobicContact CD1-CZ 3.77Å; L37-F82 HydrophobicContact CD2-CB 4.43Å; L37-F82 HydrophobicContact CD2-CD1 4.46Å; L37-F82 HydrophobicContact CD2-CD2 4.21Å; L37-F82 HydrophobicContact CD2-CG 4.12Å; W78-F82 WeakPolarHBondContact O-CB 3.4Å; W78-F82 PolarHBondContact O-N 3.19Å; L79-F82 PolarHBondContact O-N 3.28Å; S80-F82 VanDerWaalsContact C-N 3.3Å; S80-F82 PolarHBondContact O-N 2.97Å; F82-E84 VanDerWaalsContact C-N 3.31Å; F82-E84 PolarHBondContact O-N 3.09Å; F82-R85 WeakPolarHBondContact O-CB 3.38Å; F82-R85 PolarHBondContact O-N 2.91Å; F82-F86 HydrophobicContact CD1-CE2 4.22Å; F82-F86 AromaticContact CE1-CE2 3.86Å; F82-F86 HydrophobicContact CE1-CE2 3.86Å; F82-F86 HydrophobicContact CE1-CZ 4.26Å; F82-F86 HydrophobicContact CZ-CE2 4.14Å; F82-F86 HydrophobicContact CZ-CZ 4.18Å; F82-V129 HydrophobicContact CE1-CB 4.46Å; F82-V129 HydrophobicContact CE1-CG2 4.06Å; F82-V129 HydrophobicContact CZ-CB 4.44Å; F82-V129 HydrophobicContact CZ-CG1 4.21Å; F82-V129 HydrophobicContact CZ-CG2 3.96Å; F82-L211 HydrophobicContact CD1-CD2 4.22Å; F82-L211 HydrophobicContact CE1-CD2 4.2Å; F82-I213 HydrophobicContact CD1-CD1 3.96Å; F82-I213 HydrophobicContact CE1-CD1 3.9Å
83	M	96.8	Very high	94.3	Very high	8 Å²	8	52 Å²	52	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-37	175.9	-71.2	165.6	65	0	0	112.3	I75 L79 S80 R85 F86 S87 P99 V102 I213	I75-M83 HydrophobicContact CD1-CE 3.92Å; I75-M83 HydrophobicContact CD1-SD 4.04Å; I75-M83 HydrophobicContact CG2-SD 3.84Å; L79-M83 HydrophobicContact CD1-CG 4.45Å; L79-M83 HydrophobicContact CG-CG 4.48Å; L79-M83 HydrophobicContact CG-SD 4.09Å; L79-M83 WeakPolarHBondContact O-CB 3.41Å; L79-M83 WeakPolarHBondContact O-CG 3.44Å; L79-M83 PolarHBondContact O-N 3.08Å; S80-M83 PolarHBondContact O-N 3.47Å; M83-R85 PolarHBondContact O-N 3.26Å; M83-R85 VanDerWaalsContact O-N 3.15Å; M83-F86 PolarHBondContact O-N 3.48Å; M83-S87 PolarHBondContact O-N 2.77Å; M83-S87 VanDerWaalsContact O-N 3.15Å; M83-P99 VanDerWaalsContact CE-C 3.48Å; M83-P99 HydrophobicContact CE-CB 3.78Å; M83-P99 WeakPolarHBondContact CE-O 3.38Å; M83-V102 HydrophobicContact CE-CG2 4.08Å; M83-V102 HydrophobicContact CG-CG2 4.02Å; M83-V102 HydrophobicContact SD-CG2 3.48Å; M83-V102 WeakPolarHBondContact SD-CG2 3.39Å; M83-I213 HydrophobicContact CG-CD1 4.44Å; M83-I213 HydrophobicContact CG-CG2 4.15Å
84	E	94.3	Very high	94.5	Very high	73 Å²	73	46.8 Å²	46.8	34%	0.341	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-22.3	178.6	-77.8	-58.7	101.9	0	0	113	S80 S81 F82 F86 S87 N88 K98	S80-E84 PolarHBondContact O-N 3.41Å; S81-E84 PolarHBondContact O-N 2.89Å; F82-E84 VanDerWaalsContact C-N 3.31Å; F82-E84 PolarHBondContact O-N 3.09Å; E84-F86 PolarHBondContact O-N 3.03Å; E84-S87 PolarHBondContact O-N 2.96Å; E84-S87 WeakPolarHBondContact OE1-CB 3.34Å; E84-S87 PolarHBondContact OE1-OG 3.07Å; E84-N88 WeakPolarHBondContact O-CB 3.34Å; E84-N88 PolarHBondContact O-N 3.11Å; E84-N88 PolarHBondContact O-ND2 2.81Å; E84-K98 IonicContact OE1-NZ 3.8Å; E84-K98 IonicContact OE2-NZ 3.12Å; E84-K98 PolarHBondContact OE2-NZ 2.76Å; E84-K98 VanDerWaalsContact OE2-NZ 3.12Å
85	R	93.5	Very high	94.2	Very high	100 Å²	100	49.6 Å²	49.6	38%	0.377	30%	0.297	S	S	.	.	H	α-helix	trans	-57.5	-36.3	170.6	-63.9	-175.5	175	-160.4	-2	112	E33 F82 M83 I89	E33-R85 IonicContact OE1-CZ 3.59Å; E33-R85 IonicContact OE1-NH1 3.91Å; E33-R85 PolarHBondContact OE1-NH1 3.3Å; E33-R85 IonicContact OE1-NH2 2.72Å; E33-R85 PolarHBondContact OE1-NH2 3.13Å; F82-R85 WeakPolarHBondContact O-CB 3.38Å; F82-R85 PolarHBondContact O-N 2.91Å; M83-R85 PolarHBondContact O-N 3.26Å; M83-R85 VanDerWaalsContact O-N 3.15Å; R85-I89 WeakPolarHBondContact O-CG1 3.3Å
86	F	94.8	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-86.4	-34.7	179.1	-53.6	-73.7	0	0	0	112.1	F28 F82 M83 E84 N88 I89 L92 I127 V129 L160 I213	F28-F86 HydrophobicContact CE1-CE1 4.3Å; F28-F86 AromaticContact CE1-CZ 3.93Å; F28-F86 HydrophobicContact CE1-CZ 3.93Å; F28-F86 AromaticContact CZ-CE1 3.92Å; F28-F86 HydrophobicContact CZ-CE1 3.92Å; F28-F86 AromaticContact CZ-CZ 3.88Å; F28-F86 HydrophobicContact CZ-CZ 3.88Å; F82-F86 HydrophobicContact CD1-CE2 4.22Å; F82-F86 AromaticContact CE1-CE2 3.86Å; F82-F86 HydrophobicContact CE1-CE2 3.86Å; F82-F86 HydrophobicContact CE1-CZ 4.26Å; F82-F86 HydrophobicContact CZ-CE2 4.14Å; F82-F86 HydrophobicContact CZ-CZ 4.18Å; M83-F86 PolarHBondContact O-N 3.48Å; E84-F86 PolarHBondContact O-N 3.03Å; F86-N88 PolarHBondContact O-N 2.9Å; F86-I89 HydrophobicContact CD1-CD1 4.24Å; F86-I89 PolarHBondContact O-N 2.94Å; F86-L92 HydrophobicContact CB-CD2 4.33Å; F86-I127 HydrophobicContact CB-CD1 3.75Å; F86-I127 HydrophobicContact CD1-CD1 3.78Å; F86-I127 HydrophobicContact CD1-CG1 4.45Å; F86-I127 HydrophobicContact CD1-CG2 4.01Å; F86-I127 HydrophobicContact CD2-CG2 4.45Å; F86-I127 HydrophobicContact CE1-CG2 3.69Å; F86-I127 HydrophobicContact CE2-CG2 4.17Å; F86-I127 HydrophobicContact CG-CD1 3.75Å; F86-I127 HydrophobicContact CG-CG2 4.38Å; F86-I127 HydrophobicContact CZ-CG2 3.77Å; F86-V129 HydrophobicContact CZ-CG2 3.95Å; F86-L160 HydrophobicContact CE1-CD1 3.69Å; F86-L160 HydrophobicContact CE1-CD2 4.07Å; F86-L160 HydrophobicContact CZ-CD1 4.18Å; F86-I213 HydrophobicContact CD2-CD1 3.83Å; F86-I213 HydrophobicContact CE2-CD1 3.41Å; F86-I213 VanDerWaalsContact CE2-CD1 3.41Å; F86-I213 HydrophobicContact CZ-CD1 4.3Å
87	S	92.5	Very high	93.8	Very high	21 Å²	21	54.4 Å²	54.4	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-56.8	-31.9	171.9	-59.6	0	0	0	0	112.5	M83 E84	M83-S87 PolarHBondContact O-N 2.77Å; M83-S87 VanDerWaalsContact O-N 3.15Å; E84-S87 PolarHBondContact O-N 2.96Å; E84-S87 WeakPolarHBondContact OE1-CB 3.34Å; E84-S87 PolarHBondContact OE1-OG 3.07Å
88	N	91.6	Very high	93.6	Very high	109 Å²	109	50.9 Å²	50.9	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.3	-175.9	-67.9	-26.3	0	0	0	114	E84 F86 S90	E84-N88 WeakPolarHBondContact O-CB 3.34Å; E84-N88 PolarHBondContact O-N 3.11Å; E84-N88 PolarHBondContact O-ND2 2.81Å; F86-N88 PolarHBondContact O-N 2.9Å; N88-S90 PolarHBondContact O-N 3.1Å
89	I	93	Very high	93.6	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	30%	0.295	C	S	.	.	S	Bend	trans	-78.3	105.4	171.9	-59.9	171	0	0	0	107.4	M4 L10 R85 F86 G91 L92	M4-I89 HydrophobicContact CB-CD1 4.07Å; M4-I89 HydrophobicContact CB-CG1 4.22Å; M4-I89 HydrophobicContact CE-CD1 4.4Å; L10-I89 HydrophobicContact CD1-CG2 4.4Å; R85-I89 WeakPolarHBondContact O-CG1 3.3Å; F86-I89 HydrophobicContact CD1-CD1 4.24Å; F86-I89 PolarHBondContact O-N 2.94Å; I89-G91 PolarHBondContact O-N 3.38Å; I89-L92 HydrophobicContact CB-CB 3.89Å; I89-L92 HydrophobicContact CB-CD2 3.99Å; I89-L92 HydrophobicContact CD1-CD2 3.83Å; I89-L92 HydrophobicContact CG1-CD2 4.44Å; I89-L92 HydrophobicContact CG2-CB 3.85Å; I89-L92 HydrophobicContact CG2-CD2 4.28Å; I89-L92 WeakPolarHBondContact O-CB 3.41Å; I89-L92 PolarHBondContact O-N 2.81Å; I89-L92 VanDerWaalsContact O-N 3.08Å
90	S	92.2	Very high	93.5	Very high	87 Å²	87	50.8 Å²	50.8	61%	0.608	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-57.3	125.6	-177.7	-173.6	0	0	0	0	111.1	Q5 S6 V7 N88 L92	Q5-S90 WeakPolarHBondContact O-CB 3.25Å; Q5-S90 PolarHBondContact O-N 3.18Å; S6-S90 CarbonylContact C-O 3.54Å; S6-S90 WeakPolarHBondContact CA-O 3.44Å; V7-S90 WeakPolarHBondContact CG2-O 3.44Å; V7-S90 PolarHBondContact N-O 2.96Å; N88-S90 PolarHBondContact O-N 3.1Å; S90-L92 VanDerWaalsContact C-N 3.34Å
91	G	90.9	Very high	93.5	Very high	64 Å²	64	48.5 Å²	48.5	66%	0.66	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-8.8	-179.9	0	0	0	0	0	115.3	I89	I89-G91 PolarHBondContact O-N 3.38Å
92	L	92.6	Very high	93.6	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.016	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-46.6	-178.4	-175	63.6	0	0	0	111.4	V7 L10 F86 I89 S90 M125 I127 I162	V7-L92 HydrophobicContact CG2-CB 4.09Å; V7-L92 VanDerWaalsContact CG2-N 3.33Å; L10-L92 HydrophobicContact CD1-CD1 3.89Å; F86-L92 HydrophobicContact CB-CD2 4.33Å; I89-L92 HydrophobicContact CB-CB 3.89Å; I89-L92 HydrophobicContact CB-CD2 3.99Å; I89-L92 HydrophobicContact CD1-CD2 3.83Å; I89-L92 HydrophobicContact CG1-CD2 4.44Å; I89-L92 HydrophobicContact CG2-CB 3.85Å; I89-L92 HydrophobicContact CG2-CD2 4.28Å; I89-L92 WeakPolarHBondContact O-CB 3.41Å; I89-L92 PolarHBondContact O-N 2.81Å; I89-L92 VanDerWaalsContact O-N 3.08Å; S90-L92 VanDerWaalsContact C-N 3.34Å; L92-M125 HydrophobicContact CD1-CE 3.82Å; L92-M125 HydrophobicContact CD1-SD 3.64Å; L92-M125 HydrophobicContact CG-CE 4.39Å; L92-M125 HydrophobicContact CG-SD 3.89Å; L92-M125 WeakPolarHBondContact O-CE 3.48Å; L92-I127 HydrophobicContact CD2-CD1 4.05Å; L92-I162 HydrophobicContact CD1-CD1 4.08Å; L92-I162 HydrophobicContact CD1-CG2 4.39Å; L92-I162 HydrophobicContact CD2-CD1 4.24Å
93	F	91.6	Very high	93.6	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.075	26%	0.264	C	S	.	.	S	Bend	trans	-116.6	147.1	167.7	-69.7	-86.1	0	0	0	109.9	A95 L97 P99 Y123 M125 I127 N215	F93-A95 PolarHBondContact O-N 3.1Å; F93-L97 VanDerWaalsContact CD1-O 3.31Å; F93-L97 WeakPolarHBondContact CD1-O 3.41Å; F93-P99 HydrophobicContact CD2-CG 3.96Å; F93-P99 HydrophobicContact CE1-CG 4.41Å; F93-P99 HydrophobicContact CE2-CG 3.5Å; F93-P99 HydrophobicContact CZ-CG 3.77Å; F93-Y123 AromaticContact CD1-CD1 3.94Å; F93-Y123 HydrophobicContact CD1-CD1 3.94Å; F93-Y123 HydrophobicContact CD1-CE1 4.08Å; F93-Y123 AromaticContact CE1-CD1 3.94Å; F93-Y123 HydrophobicContact CE1-CD1 3.94Å; F93-Y123 HydrophobicContact CE1-CE1 4.35Å; F93-M125 HydrophobicContact CE1-SD 3.97Å; F93-M125 HydrophobicContact CE2-SD 4.06Å; F93-M125 HydrophobicContact CZ-CG 4.41Å; F93-M125 HydrophobicContact CZ-SD 3.71Å; F93-I127 HydrophobicContact CE2-CD1 3.48Å; F93-I127 VanDerWaalsContact CE2-CD1 3.48Å; F93-I127 HydrophobicContact CZ-CD1 3.74Å; F93-N215 HydrophobicContact CD1-CB 4.25Å; F93-N215 HydrophobicContact CE1-CB 4.07Å
94	P	91.3	Very high	93.7	Very high	43 Å²	43	45.4 Å²	45.4	28%	0.279	26%	0.262	S	S	.	.			trans	-53.8	140.7	162	-24.9	35.8	0	0	0	109.9	H96 L97 Y123	P94-H96 PolarHBondContact O-N 3.28Å; P94-L97 HydrophobicContact CB-CB 4.27Å; P94-L97 HydrophobicContact CB-CD1 4.29Å; P94-L97 HydrophobicContact CB-CG 4.29Å; P94-L97 HydrophobicContact CG-CB 4.49Å; P94-L97 HydrophobicContact CG-CD1 4.1Å; P94-L97 PolarHBondContact O-N 2.86Å; P94-Y123 HydrophobicContact CG-CE2 4.03Å
95	A	87.2	Confident	93.9	Very high	95 Å²	95	42.8 Å²	42.8	79%	0.785	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.7	-171.7	0	0	0	0	0	114.6	F93	F93-A95 PolarHBondContact O-N 3.1Å
96	H	90	Very high	94.1	Very high	158 Å²	158	38.3 Å²	38.3	73%	0.731	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.1	179	65.7	-81	0	0	0	114.2	P94	P94-H96 PolarHBondContact O-N 3.28Å
97	L	93.7	Very high	94.3	Very high	22 Å²	22	39.1 Å²	39.1	12%	0.115	24%	0.237	C	C	.	.			trans	-120.5	42	-176.8	-61.6	-175.7	0	0	0	112.3	F93 P94 Y123 N215 P217	F93-L97 VanDerWaalsContact CD1-O 3.31Å; F93-L97 WeakPolarHBondContact CD1-O 3.41Å; P94-L97 HydrophobicContact CB-CB 4.27Å; P94-L97 HydrophobicContact CB-CD1 4.29Å; P94-L97 HydrophobicContact CB-CG 4.29Å; P94-L97 HydrophobicContact CG-CB 4.49Å; P94-L97 HydrophobicContact CG-CD1 4.1Å; P94-L97 PolarHBondContact O-N 2.86Å; L97-Y123 HydrophobicContact CD1-CD2 3.72Å; L97-Y123 HydrophobicContact CD1-CE2 4.07Å; L97-N215 VanDerWaalsContact C-ND2 3.35Å; L97-N215 WeakPolarHBondContact O-CB 3.4Å; L97-N215 VanDerWaalsContact O-CG 3.29Å; L97-N215 PolarHBondContact O-ND2 2.85Å; L97-P217 HydrophobicContact CD1-CG 4.26Å; L97-P217 HydrophobicContact CD2-CB 3.79Å; L97-P217 HydrophobicContact CD2-CG 4.21Å
98	K	93.7	Very high	94.6	Very high	91 Å²	91	41.6 Å²	41.6	40%	0.396	25%	0.246	S	C	.	.			trans	-54.7	148.9	172.6	-68.4	-172.1	170.2	-161.9	0	111.4	E84 N100 N215	E84-K98 IonicContact OE1-NZ 3.8Å; E84-K98 IonicContact OE2-NZ 3.12Å; E84-K98 PolarHBondContact OE2-NZ 2.76Å; E84-K98 VanDerWaalsContact OE2-NZ 3.12Å; K98-N100 PolarHBondContact O-N 3.16Å; K98-N215 PolarHBondContact O-ND2 3.21Å
99	P	96.1	Very high	94.9	Very high	11 Å²	11	39 Å²	39	7%	0.071	24%	0.235	C	C	.	.			trans	-50.1	132.4	174.6	-28.1	35.6	0	0	0	112.2	M83 F93 I213 R214	M83-P99 VanDerWaalsContact CE-C 3.48Å; M83-P99 HydrophobicContact CE-CB 3.78Å; M83-P99 WeakPolarHBondContact CE-O 3.38Å; F93-P99 HydrophobicContact CD2-CG 3.96Å; F93-P99 HydrophobicContact CE1-CG 4.41Å; F93-P99 HydrophobicContact CE2-CG 3.5Å; F93-P99 HydrophobicContact CZ-CG 3.77Å; P99-I213 HydrophobicContact CB-CG2 3.53Å; P99-I213 HydrophobicContact CG-CG2 4Å; P99-R214 CarbonylContact C-O 3.49Å; P99-R214 VanDerWaalsContact CA-O 3.31Å; P99-R214 WeakPolarHBondContact CA-O 3.42Å
100	N	96.1	Very high	95.2	Very high	20 Å²	20	39.9 Å²	39.9	11%	0.107	25%	0.245	C	C	.	.			trans	-134	4.8	-176.6	66.7	-1.8	0	0	0	113.1	K98 R214 N215 I216	K98-N100 PolarHBondContact O-N 3.16Å; N100-R214 PolarHBondContact N-O 2.81Å; N100-N215 WeakPolarHBondContact OD1-CA 3.28Å; N100-I216 PolarHBondContact ND2-O 2.98Å; N100-I216 PolarHBondContact OD1-N 2.97Å
101	H	97.5	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	138.1	-178.7	177.6	-102.2	0	0	0	111.3	N59 W60 V64 Y122 R214 I216	N59-H101 PolarHBondContact ND2-NE2 3.26Å; N59-H101 PolarHBondContact OD1-CD2 2.96Å; N59-H101 PolarHBondContact OD1-NE2 2.82Å; N59-H101 VanDerWaalsContact OD1-NE2 3.1Å; W60-H101 WeakPolarHBondContact O-CA 3.37Å; W60-H101 PolarHBondContact O-CD2 2.91Å; W60-H101 VanDerWaalsContact O-CD2 3.3Å; V64-H101 VanDerWaalsContact CG2-NE2 3.3Å; V64-H101 WeakPolarHBondContact CG2-NE2 3.26Å; H101-Y122 PolarHBondContact CE1-OH 2.82Å; H101-Y122 AromaticContact ND1-CE1 3.68Å; H101-R214 PolarHBondContact N-O 3.11Å; H101-R214 PolarHBondContact O-N 2.88Å; H101-I216 HydrophobicContact CB-CD1 3.98Å
102	V	98.3	Very high	95.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.6	178.8	-173.9	0	0	0	0	110.5	W60 L79 M83 V104 T212 I213	W60-V102 HydrophobicContact CB-CB 4.37Å; W60-V102 PolarHBondContact N-O 2.85Å; W60-V102 PolarHBondContact O-N 3.37Å; L79-V102 HydrophobicContact CD1-CG1 4.28Å; L79-V102 HydrophobicContact CD1-CG2 4.32Å; L79-V102 HydrophobicContact CD2-CB 4.02Å; L79-V102 HydrophobicContact CD2-CG1 4.19Å; L79-V102 HydrophobicContact CD2-CG2 4.11Å; L79-V102 HydrophobicContact CG-CG2 4.3Å; M83-V102 HydrophobicContact CE-CG2 4.08Å; M83-V102 HydrophobicContact CG-CG2 4.02Å; M83-V102 HydrophobicContact SD-CG2 3.48Å; M83-V102 WeakPolarHBondContact SD-CG2 3.39Å; V102-V104 HydrophobicContact CG1-CG2 4.33Å; V102-T212 VanDerWaalsContact CA-O 3.32Å; V102-T212 WeakPolarHBondContact CA-O 3.39Å; V102-I213 HydrophobicContact CG1-CG1 4.01Å; V102-I213 HydrophobicContact CG2-CB 4.41Å; V102-I213 HydrophobicContact CG2-CG1 3.94Å; V102-I213 HydrophobicContact CG2-CG2 4.35Å
103	L	97.7	Very high	96	Very high	33 Å²	33	36.9 Å²	36.9	17%	0.173	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.7	162.7	-63.5	-175.2	0	0	0	110.1	V57 Q58 N59 T212 R214	V57-L103 HydrophobicContact CG2-CB 4.42Å; V57-L103 HydrophobicContact CG2-CD2 4.28Å; Q58-L103 WeakPolarHBondContact O-CA 3.39Å; N59-L103 HydrophobicContact CB-CD2 3.75Å; L103-T212 PolarHBondContact N-O 2.83Å; L103-T212 PolarHBondContact O-N 2.91Å; L103-R214 VanDerWaalsContact CG-NH2 3.26Å
104	V	98.6	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	111.9	171	-173.6	0	0	0	0	108	V41 W49 V57 Q58 V102 V209 S210 L211	V41-V104 HydrophobicContact CB-CG1 4.41Å; V41-V104 HydrophobicContact CG1-CG1 3.62Å; V41-V104 HydrophobicContact CG2-CG1 3.86Å; W49-V104 HydrophobicContact CH2-CG1 4.11Å; V57-V104 CarbonylContact C-O 3.34Å; V57-V104 VanDerWaalsContact CA-O 3.26Å; V57-V104 WeakPolarHBondContact CA-O 3.05Å; Q58-V104 HydrophobicContact CB-CB 3.95Å; Q58-V104 HydrophobicContact CB-CG2 4.34Å; Q58-V104 HydrophobicContact CG-CB 4.09Å; Q58-V104 PolarHBondContact N-O 2.91Å; Q58-V104 PolarHBondContact O-N 2.82Å; V102-V104 HydrophobicContact CG1-CG2 4.33Å; V104-V209 HydrophobicContact CG1-CG1 3.51Å; V104-S210 WeakPolarHBondContact CA-O 3.37Å; V104-L211 HydrophobicContact CG2-CG 4.32Å
105	N	98.5	Very high	96.6	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.102	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.8	-176.5	-63.1	-79.3	0	0	0	110.2	V57 Y107 V209 S210	V57-N105 WeakPolarHBondContact CG2-OD1 3.42Å; N105-Y107 HydrophobicContact CB-CD2 4.28Å; N105-Y107 HydrophobicContact CB-CE2 3.43Å; N105-Y107 VanDerWaalsContact CB-CE2 3.43Å; N105-V209 CarbonylContact O-C 3.58Å; N105-V209 VanDerWaalsContact O-CA 3.28Å; N105-V209 WeakPolarHBondContact O-CA 3.46Å; N105-S210 PolarHBondContact N-O 3.3Å; N105-S210 PolarHBondContact O-N 2.7Å
106	E	98.6	Very high	96.9	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.8	170.2	178.9	-177.3	-138.8	0	0	109.6	F42 W49 R56 K207	F42-E106 WeakPolarHBondContact CE1-OE1 3.42Å; W49-E106 HydrophobicContact CH2-CB 3.91Å; W49-E106 HydrophobicContact CZ3-CB 3.81Å; R56-E106 HydrophobicContact CB-CB 4.18Å; R56-E106 VanDerWaalsContact CD-OE2 3.23Å; R56-E106 WeakPolarHBondContact CD-OE2 3.5Å; R56-E106 IonicContact CZ-OE2 2.72Å; R56-E106 IonicContact NE-OE2 2.76Å; R56-E106 IonicContact NH1-OE1 3.71Å; R56-E106 IonicContact NH1-OE2 3.18Å; R56-E106 PolarHBondContact NH1-OE2 3.18Å; R56-E106 PolarHBondContact O-N 2.86Å; E106-K207 HydrophobicContact CG-CG 4.48Å; E106-K207 IonicContact OE1-NZ 2.78Å; E106-K207 PolarHBondContact OE1-NZ 3.4Å
107	Y	98.6	Very high	97.1	Very high	16 Å²	16	36.7 Å²	36.7	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.3	174.7	-59.6	-98.5	0	0	0	108.8	R55 N105 Q111 K207 R208	R55-Y107 HydrophobicContact CG-CD1 4.32Å; R55-Y107 HydrophobicContact CG-CE1 4.46Å; R55-Y107 PolarHBondContact NH1-OH 2.85Å; N105-Y107 HydrophobicContact CB-CD2 4.28Å; N105-Y107 HydrophobicContact CB-CE2 3.43Å; N105-Y107 VanDerWaalsContact CB-CE2 3.43Å; Y107-Q111 HydrophobicContact CD1-CB 4.33Å; Y107-K207 WeakPolarHBondContact O-CA 3.42Å; Y107-R208 PolarHBondContact N-O 2.94Å; Y107-R208 PolarHBondContact O-N 3.5Å
108	E	98.5	Very high	96.9	Very high	73 Å²	73	37.1 Å²	37.1	34%	0.341	20%	0.199	S	C	.	.			trans	-84.8	160.8	163.6	-63	-67.8	-178.3	0	0	110.3	G110 Q111 K207	E108-G110 PolarHBondContact O-N 2.65Å; E108-Q111 HydrophobicContact CB-CG 4.25Å; E108-Q111 VanDerWaalsContact O-CB 3.26Å; E108-Q111 WeakPolarHBondContact O-CB 3.36Å; E108-Q111 PolarHBondContact O-N 2.83Å; E108-K207 WeakPolarHBondContact OE1-CE 3.18Å; E108-K207 IonicContact OE1-NZ 3.45Å; E108-K207 PolarHBondContact OE1-NZ 2.82Å; E108-K207 WeakPolarHBondContact OE2-CE 3.42Å; E108-K207 IonicContact OE2-NZ 3.87Å
109	P	98.4	Very high	96.4	Very high	55 Å²	55	34.4 Å²	34.4	36%	0.357	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	136.5	171.4	-25.8	35.4	0	0	0	111.7	Q111 R205	P109-Q111 VanDerWaalsContact C-N 3.3Å; P109-R205 VanDerWaalsContact CG-O 3.28Å; P109-R205 WeakPolarHBondContact CG-O 3.29Å
110	G	98.1	Very high	95.9	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-14.2	-173.6	0	0	0	0	0	114.5	E108 N177 R178	E108-G110 PolarHBondContact O-N 2.65Å; G110-N177 CarbonylContact O-C 3.51Å; G110-N177 VanDerWaalsContact O-CA 3.3Å; G110-N177 WeakPolarHBondContact O-CA 3.2Å; G110-N177 WeakPolarHBondContact O-CB 3.5Å; G110-R178 VanDerWaalsContact CA-O 3.29Å; G110-R178 WeakPolarHBondContact CA-O 3.35Å; G110-R178 PolarHBondContact N-O 3.2Å; G110-R178 VanDerWaalsContact N-O 3.12Å
111	Q	98.4	Very high	95.6	Very high	51 Å²	51	41.9 Å²	41.9	24%	0.238	24%	0.237	C	C	.	.			trans	-92.3	140.7	177.5	-57.5	-172.4	-33.7	0	0	112.2	G54 R55 Y107 E108 P109	G54-Q111 PolarHBondContact O-NE2 2.84Å; R55-Q111 HydrophobicContact CG-CB 4.25Å; Y107-Q111 HydrophobicContact CD1-CB 4.33Å; E108-Q111 HydrophobicContact CB-CG 4.25Å; E108-Q111 VanDerWaalsContact O-CB 3.26Å; E108-Q111 WeakPolarHBondContact O-CB 3.36Å; E108-Q111 PolarHBondContact O-N 2.83Å; P109-Q111 VanDerWaalsContact C-N 3.3Å
112	G	97.7	Very high	95.4	Very high	5 Å²	5	43.2 Å²	43.2	5%	0.052	24%	0.243	C	C	.	.			trans	-145	-165.6	176.5	0	0	0	0	0	111.6	R55 I175 N177	R55-G112 VanDerWaalsContact CD-O 3.25Å; R55-G112 WeakPolarHBondContact CD-O 3.32Å; R55-G112 PolarHBondContact NE-O 2.75Å; G112-I175 CarbonylContact C-O 3.59Å; G112-I175 WeakPolarHBondContact CA-O 3.34Å; G112-N177 VanDerWaalsContact CA-OD1 3.27Å; G112-N177 WeakPolarHBondContact CA-OD1 3.45Å; G112-N177 PolarHBondContact N-OD1 2.87Å
113	I	98.1	Very high	95.2	Very high	35 Å²	35	45.7 Å²	45.7	18%	0.179	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.7	173.9	-171.7	165.1	0	0	0	109.3	H116 G174 I175	I113-H116 WeakPolarHBondContact CD1-CE1 3.07Å; I113-G174 CarbonylContact O-C 3.58Å; I113-G174 VanDerWaalsContact O-CA 3.29Å; I113-G174 WeakPolarHBondContact O-CA 3.49Å; I113-I175 CarbonylContact C-O 3.59Å; I113-I175 HydrophobicContact CG2-CB 4.23Å; I113-I175 HydrophobicContact CG2-CG1 4.36Å; I113-I175 PolarHBondContact N-O 3.33Å; I113-I175 PolarHBondContact O-N 3.26Å
114	M	96.5	Very high	95	Very high	143 Å²	143	46.4 Å²	46.4	70%	0.704	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	151.6	177.5	-67.7	-61.7	-68.1	0	0	111.1	H116	M114-H116 PolarHBondContact O-N 3.25Å; M114-H116 PolarHBondContact O-ND1 3.26Å
115	P	97.1	Very high	94.9	Very high	37 Å²	37	46.5 Å²	46.5	24%	0.24	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	123	172.5	-27.5	36.1	0	0	0	111.3	F140 L172 H173	P115-F140 HydrophobicContact CB-CD2 3.94Å; P115-F140 HydrophobicContact CB-CE2 4.11Å; P115-F140 HydrophobicContact CG-CD2 3.97Å; P115-F140 HydrophobicContact CG-CE2 3.64Å; P115-F140 HydrophobicContact CG-CZ 4.02Å; P115-L172 HydrophobicContact CB-CB 4.06Å; P115-L172 HydrophobicContact CB-CD2 4.05Å; P115-H173 WeakPolarHBondContact CA-O 3.42Å
116	H	95.4	Very high	94.8	Very high	49 Å²	49	45.9 Å²	45.9	23%	0.227	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	169.6	-176.9	64.8	-67	0	0	0	111.2	I113 M114 D118 L172 H173	I113-H116 WeakPolarHBondContact CD1-CE1 3.07Å; M114-H116 PolarHBondContact O-N 3.25Å; M114-H116 PolarHBondContact O-ND1 3.26Å; H116-D118 IonicContact NE2-OD1 2.82Å; H116-L172 WeakPolarHBondContact O-CA 3.24Å; H116-H173 AromaticContact CE1-CD2 3.79Å; H116-H173 AromaticContact CE1-NE2 3.59Å; H116-H173 PolarHBondContact CE1-O 3.39Å; H116-H173 PolarHBondContact N-O 3.09Å; H116-H173 PolarHBondContact ND1-O 3.36Å; H116-H173 AromaticContact NE2-NE2 3.51Å; H116-H173 PolarHBondContact O-N 2.95Å; H116-H173 PolarHBondContact O-ND1 3.2Å
117	T	93.2	Very high	94.8	Very high	80 Å²	80	45.6 Å²	45.6	49%	0.491	26%	0.255	S	S	.	.			trans	-110.2	154.3	162.9	60.6	0	0	0	0	109.1	G119 L172	T117-G119 VanDerWaalsContact C-N 3.31Å; T117-G119 PolarHBondContact O-N 3.36Å; T117-L172 HydrophobicContact CG2-CG 4.32Å
118	D	89	Confident	94.8	Very high	31 Å²	31	45.7 Å²	45.7	17%	0.166	26%	0.256	C	S	.	.			trans	-74.2	-22.7	-174.9	-92.5	-13.4	0	0	0	113.3	H116 Y122 Y168 H173 R214	H116-D118 IonicContact NE2-OD1 2.82Å; D118-Y122 HydrophobicContact CB-CD2 4.11Å; D118-Y122 HydrophobicContact CB-CE2 4.41Å; D118-Y122 WeakPolarHBondContact O-CD2 3.36Å; D118-Y122 WeakPolarHBondContact O-CE2 3.37Å; D118-Y168 HydrophobicContact CB-CE2 4.04Å; D118-Y168 WeakPolarHBondContact CB-OH 3.5Å; D118-H173 IonicContact OD1-CE1 3.8Å; D118-H173 IonicContact OD1-NE2 3.7Å; D118-R214 IonicContact OD1-NH1 3.91Å; D118-R214 PolarHBondContact OD1-NH1 3Å; D118-R214 IonicContact OD2-CZ 3.78Å; D118-R214 IonicContact OD2-NH1 3.56Å; D118-R214 PolarHBondContact OD2-NH1 3.35Å
119	G	84.8	Confident	94.8	Very high	35 Å²	35	42.2 Å²	42.2	36%	0.361	24%	0.24	S	C	.	.			trans	106.6	156.6	178.3	0	0	0	0	0	114	T117 A121	T117-G119 VanDerWaalsContact C-N 3.31Å; T117-G119 PolarHBondContact O-N 3.36Å; G119-A121 PolarHBondContact O-N 3.42Å
120	L	85.4	Confident	94.8	Very high	177 Å²	177	39.6 Å²	39.6	93%	0.927	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.4	-168.5	-60.4	175.2	0	0	0	115.2	Y122	L120-Y122 VanDerWaalsContact C-N 3.34Å
121	A	89.9	Confident	94.8	Very high	11 Å²	11	38.4 Å²	38.4	9%	0.091	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-25.4	-178.3	0	0	0	0	0	112.6	V64 G119 I216 P217	V64-A121 HydrophobicContact CG1-CB 4.35Å; G119-A121 PolarHBondContact O-N 3.42Å; A121-I216 HydrophobicContact CB-CG2 4.39Å; A121-I216 WeakPolarHBondContact O-CG2 3.22Å; A121-P217 WeakPolarHBondContact O-CD 3.47Å
122	Y	93.3	Very high	94.8	Very high	27 Å²	27	37.9 Å²	37.9	11%	0.106	22%	0.219	C	C	.	.	S	Bend	trans	-80.2	145.3	-176.2	-64.5	-76.8	0	0	0	111.3	V64 H101 D118 L120 Y168 R214 N215 I216	V64-Y122 HydrophobicContact CG1-CE2 4.3Å; H101-Y122 PolarHBondContact CE1-OH 2.82Å; H101-Y122 AromaticContact ND1-CE1 3.68Å; D118-Y122 HydrophobicContact CB-CD2 4.11Å; D118-Y122 HydrophobicContact CB-CE2 4.41Å; D118-Y122 WeakPolarHBondContact O-CD2 3.36Å; D118-Y122 WeakPolarHBondContact O-CE2 3.37Å; L120-Y122 VanDerWaalsContact C-N 3.34Å; Y122-Y168 WeakPolarHBondContact CB-OH 3.29Å; Y122-R214 HydrophobicContact CD1-CB 3.75Å; Y122-R214 HydrophobicContact CD1-CG 4.24Å; Y122-R214 HydrophobicContact CE1-CB 4.04Å; Y122-N215 WeakPolarHBondContact CA-O 3.36Å; Y122-I216 HydrophobicContact CD1-CD1 3.99Å; Y122-I216 HydrophobicContact CD1-CG1 3.37Å; Y122-I216 HydrophobicContact CE1-CD1 3.56Å; Y122-I216 HydrophobicContact CE1-CG1 3.51Å; Y122-I216 HydrophobicContact CG-CG1 4.24Å
123	Y	93.9	Very high	94.9	Very high	53 Å²	53	38.1 Å²	38.1	21%	0.208	22%	0.22	C	C	.	.			trans	-55	140.3	159	179.7	-102.9	0	0	0	108.4	F93 P94 L97 M125 N215	F93-Y123 AromaticContact CD1-CD1 3.94Å; F93-Y123 HydrophobicContact CD1-CD1 3.94Å; F93-Y123 HydrophobicContact CD1-CE1 4.08Å; F93-Y123 AromaticContact CE1-CD1 3.94Å; F93-Y123 HydrophobicContact CE1-CD1 3.94Å; F93-Y123 HydrophobicContact CE1-CE1 4.35Å; P94-Y123 HydrophobicContact CG-CE2 4.03Å; L97-Y123 HydrophobicContact CD1-CD2 3.72Å; L97-Y123 HydrophobicContact CD1-CE2 4.07Å; Y123-M125 HydrophobicContact CD1-CB 3.82Å; Y123-M125 HydrophobicContact CE1-CB 3.91Å; Y123-M125 HydrophobicContact CE1-CE 4.21Å; Y123-M125 PolarHBondContact O-N 3.21Å; Y123-N215 PolarHBondContact N-O 2.84Å
124	P	93.9	Very high	94.9	Very high	47 Å²	47	37.3 Å²	37.3	31%	0.305	22%	0.215	S	C	.	.	S	Bend	trans	-74.5	58.7	-169.1	31.6	-38	0	0	0	113.5	K164 D165 Y168 T169	P124-K164 WeakPolarHBondContact O-CA 3.37Å; P124-D165 PolarHBondContact O-N 3.14Å; P124-Y168 HydrophobicContact CB-CD1 3.8Å; P124-Y168 HydrophobicContact CB-CE1 4.29Å; P124-T169 HydrophobicContact CB-CG2 3.81Å
125	M	94.7	Very high	95	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	138.8	177.4	-179.8	-179.1	-61.5	0	0	109.7	L92 F93 Y123 I162 M163 K164	L92-M125 HydrophobicContact CD1-CE 3.82Å; L92-M125 HydrophobicContact CD1-SD 3.64Å; L92-M125 HydrophobicContact CG-CE 4.39Å; L92-M125 HydrophobicContact CG-SD 3.89Å; L92-M125 WeakPolarHBondContact O-CE 3.48Å; F93-M125 HydrophobicContact CE1-SD 3.97Å; F93-M125 HydrophobicContact CE2-SD 4.06Å; F93-M125 HydrophobicContact CZ-CG 4.41Å; F93-M125 HydrophobicContact CZ-SD 3.71Å; Y123-M125 HydrophobicContact CD1-CB 3.82Å; Y123-M125 HydrophobicContact CE1-CB 3.91Å; Y123-M125 HydrophobicContact CE1-CE 4.21Å; Y123-M125 PolarHBondContact O-N 3.21Å; M125-I162 HydrophobicContact CG-CG2 4.12Å; M125-I162 HydrophobicContact SD-CG2 4.26Å; M125-M163 CarbonylContact C-O 3.55Å; M125-M163 VanDerWaalsContact CA-O 3.29Å; M125-M163 WeakPolarHBondContact CA-O 3.28Å; M125-K164 HydrophobicContact CB-CB 4.12Å; M125-K164 HydrophobicContact CE-CB 3.94Å; M125-K164 HydrophobicContact CE-CD 3.79Å; M125-K164 HydrophobicContact CE-CG 4.48Å; M125-K164 HydrophobicContact CG-CB 4.1Å
126	V	97	Very high	95.1	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.2	168.1	61.6	0	0	0	0	110.7	I162 M163 Y168 T212 R214	V126-I162 WeakPolarHBondContact O-CA 3.28Å; V126-M163 HydrophobicContact CG1-CB 3.86Å; V126-M163 HydrophobicContact CG1-CE 3.7Å; V126-M163 PolarHBondContact N-O 2.9Å; V126-M163 PolarHBondContact O-N 2.96Å; V126-Y168 HydrophobicContact CB-CD2 4.21Å; V126-Y168 HydrophobicContact CB-CE2 3.9Å; V126-Y168 HydrophobicContact CG1-CD2 3.86Å; V126-Y168 HydrophobicContact CG1-CE2 3.96Å; V126-T212 HydrophobicContact CG2-CG2 3.33Å; V126-R214 HydrophobicContact CB-CG 4.11Å; V126-R214 HydrophobicContact CG2-CG 3.9Å
127	I	98.3	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.3	168.8	-71	159.3	0	0	0	107.7	F86 L92 F93 L160 I162 T212 I213	F86-I127 HydrophobicContact CB-CD1 3.75Å; F86-I127 HydrophobicContact CD1-CD1 3.78Å; F86-I127 HydrophobicContact CD1-CG1 4.45Å; F86-I127 HydrophobicContact CD1-CG2 4.01Å; F86-I127 HydrophobicContact CD2-CG2 4.45Å; F86-I127 HydrophobicContact CE1-CG2 3.69Å; F86-I127 HydrophobicContact CE2-CG2 4.17Å; F86-I127 HydrophobicContact CG-CD1 3.75Å; F86-I127 HydrophobicContact CG-CG2 4.38Å; F86-I127 HydrophobicContact CZ-CG2 3.77Å; L92-I127 HydrophobicContact CD2-CD1 4.05Å; F93-I127 HydrophobicContact CE2-CD1 3.48Å; F93-I127 VanDerWaalsContact CE2-CD1 3.48Å; F93-I127 HydrophobicContact CZ-CD1 3.74Å; I127-L160 HydrophobicContact CG2-CD1 3.63Å; I127-I162 HydrophobicContact CG1-CD1 4.32Å; I127-I162 HydrophobicContact CG1-CG1 4.07Å; I127-I162 HydrophobicContact CG1-CG2 4.43Å; I127-T212 CarbonylContact O-C 3.58Å; I127-T212 WeakPolarHBondContact O-CA 3.45Å; I127-I213 HydrophobicContact CB-CB 4.14Å; I127-I213 HydrophobicContact CG2-CB 4.24Å; I127-I213 HydrophobicContact CG2-CD1 4.39Å; I127-I213 PolarHBondContact N-O 3.25Å; I127-I213 PolarHBondContact O-N 2.7Å
128	N	98.5	Very high	95.5	Very high	17 Å²	17	24.8 Å²	24.8	9%	0.091	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.4	175.4	-164.6	-94.6	0	0	0	110.3	T130 F161 R208 L211 T212	N128-T130 PolarHBondContact OD1-OG1 2.97Å; N128-F161 HydrophobicContact CB-CB 4.38Å; N128-F161 HydrophobicContact CB-CD1 4.15Å; N128-F161 PolarHBondContact N-O 2.75Å; N128-F161 PolarHBondContact O-N 3.43Å; N128-R208 PolarHBondContact OD1-NH2 2.88Å; N128-L211 WeakPolarHBondContact CA-O 3.33Å; N128-T212 PolarHBondContact ND2-OG1 2.86Å; N128-T212 VanDerWaalsContact ND2-OG1 3.1Å
129	V	98.8	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.5	171.2	179	0	0	0	0	108.6	F28 L29 F82 F86 L131 S159 L160 S210 L211	F28-V129 HydrophobicContact CD1-CG2 4.41Å; F28-V129 HydrophobicContact CE1-CG2 4.22Å; L29-V129 HydrophobicContact CD1-CG1 3.73Å; L29-V129 HydrophobicContact CG-CG1 4.23Å; F82-V129 HydrophobicContact CE1-CB 4.46Å; F82-V129 HydrophobicContact CE1-CG2 4.06Å; F82-V129 HydrophobicContact CZ-CB 4.44Å; F82-V129 HydrophobicContact CZ-CG1 4.21Å; F82-V129 HydrophobicContact CZ-CG2 3.96Å; F86-V129 HydrophobicContact CZ-CG2 3.95Å; V129-L131 HydrophobicContact CG1-CD2 4.11Å; V129-S159 WeakPolarHBondContact CA-O 3.45Å; V129-L160 HydrophobicContact CG2-CD1 4.03Å; V129-S210 CarbonylContact O-C 3.49Å; V129-S210 WeakPolarHBondContact O-CA 3.49Å; V129-L211 HydrophobicContact CB-CB 4.44Å; V129-L211 PolarHBondContact N-O 3.18Å; V129-L211 PolarHBondContact O-N 2.84Å
130	T	98.9	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.5	-177.6	-69.7	0	0	0	0	110.8	N128 S133 G158 S159 R208	N128-T130 PolarHBondContact OD1-OG1 2.97Å; T130-S133 VanDerWaalsContact CG2-O 3.24Å; T130-S133 WeakPolarHBondContact CG2-O 3.2Å; T130-G158 WeakPolarHBondContact O-CA 3.26Å; T130-G158 PolarHBondContact O-N 3.06Å; T130-S159 PolarHBondContact N-O 2.73Å; T130-S159 VanDerWaalsContact N-O 3.11Å; T130-R208 HydrophobicContact CG2-CG 4.09Å; T130-R208 VanDerWaalsContact CG2-NE 3.31Å; T130-R208 PolarHBondContact OG1-NH2 3.07Å
131	L	98.9	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.6	178	-45.8	178.1	0	0	0	111.2	L29 E34 L37 W38 V129 S133 R208 V209 L211	L29-L131 HydrophobicContact CD1-CD2 3.47Å; L29-L131 VanDerWaalsContact CD1-CD2 3.47Å; E34-L131 HydrophobicContact CG-CB 4.3Å; E34-L131 HydrophobicContact CG-CD2 3.88Å; E34-L131 WeakPolarHBondContact OE1-CA 3.09Å; L37-L131 HydrophobicContact CB-CD1 3.9Å; L37-L131 HydrophobicContact CB-CD2 4.49Å; L37-L131 HydrophobicContact CD1-CD2 4.35Å; W38-L131 HydrophobicContact CE3-CB 4.14Å; V129-L131 HydrophobicContact CG1-CD2 4.11Å; L131-S133 PolarHBondContact O-N 2.91Å; L131-S133 VanDerWaalsContact O-N 3.11Å; L131-R208 WeakPolarHBondContact O-CA 3.29Å; L131-V209 HydrophobicContact CB-CB 4.27Å; L131-V209 HydrophobicContact CD1-CB 4.47Å; L131-V209 HydrophobicContact CD1-CG1 4.27Å; L131-V209 PolarHBondContact N-O 3.31Å; L131-V209 PolarHBondContact O-N 2.79Å; L131-L211 HydrophobicContact CD1-CD1 3.45Å; L131-L211 VanDerWaalsContact CD1-CD1 3.45Å; L131-L211 HydrophobicContact CG-CD1 3.92Å
132	G	98.7	Very high	97	Very high	39 Å²	39	25 Å²	25	40%	0.402	13%	0.13	S	C	.	.	S	Bend	trans	83.2	-73.6	171.3	0	0	0	0	0	113	E34 P157	E34-G132 PolarHBondContact OE1-N 2.88Å; G132-P157 WeakPolarHBondContact O-CG 3.28Å
133	S	98.7	Very high	97	Very high	10 Å²	10	26.1 Å²	26.1	7%	0.07	14%	0.142	C	C	.	.	S	Bend	trans	-124.9	158.3	-179.6	176.1	0	0	0	0	111.5	T130 L131 G206 K207 R208	T130-S133 VanDerWaalsContact CG2-O 3.24Å; T130-S133 WeakPolarHBondContact CG2-O 3.2Å; L131-S133 PolarHBondContact O-N 2.91Å; L131-S133 VanDerWaalsContact O-N 3.11Å; S133-G206 WeakPolarHBondContact CB-O 3.35Å; S133-G206 PolarHBondContact OG-N 3.03Å; S133-K207 WeakPolarHBondContact CB-O 3.39Å; S133-K207 PolarHBondContact N-O 2.8Å; S133-R208 VanDerWaalsContact O-CD 3.32Å; S133-R208 WeakPolarHBondContact O-CD 3.35Å; S133-R208 VanDerWaalsContact O-CG 3.3Å; S133-R208 WeakPolarHBondContact O-CG 3.39Å
134	H	98.8	Very high	96.8	Very high	18 Å²	18	30.5 Å²	30.5	8%	0.083	17%	0.168	C	C	.	.			trans	-68.3	166.5	172	77.1	-76.2	0	0	0	112.7	L154 L155 D181 L203 Q204	H134-L154 HydrophobicContact CB-CD1 4.17Å; H134-L155 CarbonylContact C-O 3.57Å; H134-L155 WeakPolarHBondContact CA-O 3.3Å; H134-L155 WeakPolarHBondContact CB-O 3.32Å; H134-D181 IonicContact CD2-OD2 2.99Å; H134-D181 IonicContact NE2-OD2 3.43Å; H134-L203 WeakPolarHBondContact CE1-CB 3.45Å; H134-L203 VanDerWaalsContact NE2-CB 3.31Å; H134-L203 WeakPolarHBondContact NE2-CB 3.41Å; H134-Q204 PolarHBondContact CE1-O 2.8Å; H134-Q204 VanDerWaalsContact CE1-O 3.23Å
135	A	98.6	Very high	96.4	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159	160.8	0	0	0	0	0	110.3	L155 I175	A135-L155 PolarHBondContact N-O 3.39Å; A135-L155 VanDerWaalsContact N-O 3.08Å; A135-L155 WeakPolarHBondContact O-CB 3.33Å; A135-L155 PolarHBondContact O-N 2.96Å; A135-I175 HydrophobicContact CB-CD1 4.07Å; A135-I175 HydrophobicContact CB-CG2 4.27Å
136	V	98.8	Very high	96.3	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116	166.6	175.8	0	0	0	0	109.6	E138 L153 L154 D181 I187	V136-E138 HydrophobicContact CG1-CG 4.25Å; V136-L153 WeakPolarHBondContact CA-O 3.48Å; V136-L154 HydrophobicContact CG2-CD1 4.1Å; V136-D181 HydrophobicContact CB-CB 4.43Å; V136-D181 HydrophobicContact CG2-CB 3.57Å; V136-D181 VanDerWaalsContact CG2-CG 3.41Å; V136-I187 HydrophobicContact CG1-CD1 3.77Å; V136-I187 HydrophobicContact CG2-CD1 3.9Å
137	L	98.7	Very high	96.2	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	121.3	171.3	-178.7	73.2	0	0	0	108.8	L139 S152 L153 L155 F161 H173 I175	L137-L139 HydrophobicContact CD2-CD2 4.4Å; L137-S152 CarbonylContact O-C 3.6Å; L137-S152 WeakPolarHBondContact O-CA 3.18Å; L137-L153 HydrophobicContact CB-CB 4.41Å; L137-L153 HydrophobicContact CD2-CD1 4.37Å; L137-L153 PolarHBondContact N-O 2.84Å; L137-L153 PolarHBondContact O-N 2.99Å; L137-L155 HydrophobicContact CB-CD1 3.91Å; L137-L155 HydrophobicContact CB-CG 4.22Å; L137-F161 HydrophobicContact CD2-CD1 3.95Å; L137-F161 HydrophobicContact CD2-CE1 3.29Å; L137-F161 HydrophobicContact CD2-CZ 3.81Å; L137-H173 HydrophobicContact CD1-CB 4.01Å; L137-H173 HydrophobicContact CG-CB 4.45Å; L137-I175 HydrophobicContact CD1-CG1 4.02Å
138	E	98.3	Very high	96	Very high	28 Å²	28	46 Å²	46	13%	0.131	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.3	178.2	-63	173.1	151.8	0	0	109.3	V136 F140 H173 G174 R178	V136-E138 HydrophobicContact CG1-CG 4.25Å; E138-F140 HydrophobicContact CB-CD2 4.41Å; E138-F140 HydrophobicContact CB-CE2 3.43Å; E138-F140 VanDerWaalsContact CB-CE2 3.43Å; E138-F140 HydrophobicContact CB-CZ 3.51Å; E138-F140 HydrophobicContact CG-CZ 4.46Å; E138-F140 WeakPolarHBondContact O-CE2 3.42Å; E138-H173 CarbonylContact O-C 3.54Å; E138-H173 VanDerWaalsContact O-CA 3.27Å; E138-H173 WeakPolarHBondContact O-CA 3.45Å; E138-G174 PolarHBondContact N-O 3.27Å; E138-G174 PolarHBondContact O-N 3.19Å; E138-R178 IonicContact OE1-CZ 2.67Å; E138-R178 IonicContact OE1-NH1 3.16Å; E138-R178 IonicContact OE1-NH2 3.64Å; E138-R178 PolarHBondContact OE1-NH2 2.55Å
139	L	97.6	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.3	179.8	-60.6	169.6	0	0	0	109	L18 L137 C149 I150 G151 L153 M163 L167 L172 H173	L18-L139 HydrophobicContact CD1-CD1 3.58Å; L18-L139 HydrophobicContact CD2-CD1 3.84Å; L18-L139 HydrophobicContact CG-CD1 4.39Å; L137-L139 HydrophobicContact CD2-CD2 4.4Å; L139-C149 CarbonylContact O-C 3.57Å; L139-C149 WeakPolarHBondContact O-CA 3.38Å; L139-I150 HydrophobicContact CB-CD1 4.19Å; L139-I150 HydrophobicContact CB-CG1 3.85Å; L139-I150 VanDerWaalsContact O-CG1 3.29Å; L139-I150 WeakPolarHBondContact O-CG1 3.34Å; L139-I150 PolarHBondContact O-N 2.82Å; L139-G151 WeakPolarHBondContact CB-O 3.18Å; L139-G151 PolarHBondContact N-O 2.74Å; L139-L153 HydrophobicContact CD1-CD1 4.2Å; L139-M163 HydrophobicContact CD2-SD 4.07Å; L139-L167 HydrophobicContact CD1-CD1 4.24Å; L139-L167 HydrophobicContact CD1-CD2 4.19Å; L139-L172 CarbonylContact C-O 3.55Å; L139-L172 WeakPolarHBondContact CA-O 3.42Å; L139-H173 HydrophobicContact CD2-CB 3.78Å
140	F	97.1	Very high	95.7	Very high	23 Å²	23	49.9 Å²	49.9	10%	0.101	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138	-173.9	-54.8	-96.8	0	0	0	111.6	P115 E138 N147 Y148 C149 H171 L172	P115-F140 HydrophobicContact CB-CD2 3.94Å; P115-F140 HydrophobicContact CB-CE2 4.11Å; P115-F140 HydrophobicContact CG-CD2 3.97Å; P115-F140 HydrophobicContact CG-CE2 3.64Å; P115-F140 HydrophobicContact CG-CZ 4.02Å; E138-F140 HydrophobicContact CB-CD2 4.41Å; E138-F140 HydrophobicContact CB-CE2 3.43Å; E138-F140 VanDerWaalsContact CB-CE2 3.43Å; E138-F140 HydrophobicContact CB-CZ 3.51Å; E138-F140 HydrophobicContact CG-CZ 4.46Å; E138-F140 WeakPolarHBondContact O-CE2 3.42Å; F140-N147 HydrophobicContact CB-CB 4.01Å; F140-N147 HydrophobicContact CD1-CB 3.81Å; F140-N147 HydrophobicContact CG-CB 4.11Å; F140-Y148 CarbonylContact C-O 3.56Å; F140-Y148 VanDerWaalsContact CA-O 3.25Å; F140-Y148 WeakPolarHBondContact CA-O 3.11Å; F140-C149 HydrophobicContact CD1-CB 3.98Å; F140-C149 HydrophobicContact CE1-CB 3.88Å; F140-H171 CarbonylContact O-C 3.56Å; F140-H171 WeakPolarHBondContact O-CA 3.48Å; F140-H171 WeakPolarHBondContact O-CB 3.42Å; F140-L172 HydrophobicContact CB-CB 4.26Å; F140-L172 PolarHBondContact N-O 3.02Å; F140-L172 PolarHBondContact O-N 2.93Å
141	K	94.7	Very high	95.6	Very high	119 Å²	119	49.9 Å²	49.9	52%	0.517	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.3	162.1	-177.1	173.2	-178.6	175.3	0	108.9	Y148 I150	K141-Y148 PolarHBondContact N-O 2.6Å; K141-Y148 PolarHBondContact O-N 3.41Å; K141-I150 HydrophobicContact CB-CG2 3.82Å
142	Q	92.1	Very high	95.6	Very high	116 Å²	116	50 Å²	50	54%	0.542	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.1	173.5	-161.3	172.5	29.1	0	0	110.2	K146 L172	Q142-K146 WeakPolarHBondContact CA-O 3.29Å; Q142-L172 HydrophobicContact CB-CD1 3.85Å
143	S	91.9	Very high	95.6	Very high	51 Å²	51	48.2 Å²	48.2	36%	0.357	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.3	170.8	-168.1	0	0	0	0	108.9	G145 K146 Y148	S143-G145 PolarHBondContact O-N 3.06Å; S143-G145 VanDerWaalsContact O-N 3.1Å; S143-K146 PolarHBondContact N-O 3.29Å; S143-K146 PolarHBondContact O-N 3.18Å; S143-K146 VanDerWaalsContact O-O 3.13Å; S143-Y148 WeakPolarHBondContact O-CE2 3.21Å
144	D	89.4	Confident	95.6	Very high	144 Å²	144	47.8 Å²	47.8	77%	0.77	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	38.7	176.8	-51	-53.8	0	0	0	114.2	K146	D144-K146 PolarHBondContact O-N 3.39Å
145	G	86.9	Confident	95.6	Very high	68 Å²	68	47 Å²	47	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	5.1	-178.5	0	0	0	0	0	115.2	S143	S143-G145 PolarHBondContact O-N 3.06Å; S143-G145 VanDerWaalsContact O-N 3.1Å
146	K	92.3	Very high	95.6	Very high	135 Å²	135	47 Å²	47	59%	0.587	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.7	178.2	-64.8	178.3	-177.1	175.5	0	111.4	Q142 S143 D144 Y148	Q142-K146 WeakPolarHBondContact CA-O 3.29Å; S143-K146 PolarHBondContact N-O 3.29Å; S143-K146 PolarHBondContact O-N 3.18Å; S143-K146 VanDerWaalsContact O-O 3.13Å; D144-K146 PolarHBondContact O-N 3.39Å; K146-Y148 HydrophobicContact CB-CD2 4.45Å; K146-Y148 HydrophobicContact CB-CE2 3.72Å
147	N	94.6	Very high	95.6	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.9	175.5	-67.4	-14.6	0	0	0	109.5	F140	F140-N147 HydrophobicContact CB-CB 4.01Å; F140-N147 HydrophobicContact CD1-CB 3.81Å; F140-N147 HydrophobicContact CG-CB 4.11Å
148	Y	94.9	Very high	95.6	Very high	113 Å²	113	48.5 Å²	48.5	44%	0.443	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.8	177.1	-63.6	-91.1	0	0	0	109.2	F140 K141 S143 K146 I150	F140-Y148 CarbonylContact C-O 3.56Å; F140-Y148 VanDerWaalsContact CA-O 3.25Å; F140-Y148 WeakPolarHBondContact CA-O 3.11Å; K141-Y148 PolarHBondContact N-O 2.6Å; K141-Y148 PolarHBondContact O-N 3.41Å; S143-Y148 WeakPolarHBondContact O-CE2 3.21Å; K146-Y148 HydrophobicContact CB-CD2 4.45Å; K146-Y148 HydrophobicContact CB-CE2 3.72Å; Y148-I150 PolarHBondContact O-N 2.99Å
149	C	95.5	Very high	95.6	Very high	59 Å²	59	47.2 Å²	47.2	40%	0.399	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	119.3	178.3	-177.5	0	0	0	0	109.8	L139 F140	L139-C149 CarbonylContact O-C 3.57Å; L139-C149 WeakPolarHBondContact O-CA 3.38Å; F140-C149 HydrophobicContact CD1-CB 3.98Å; F140-C149 HydrophobicContact CE1-CB 3.88Å
150	I	95.5	Very high	95.6	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.205	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-18.9	178	57.7	157	0	0	0	112	P19 L139 K141 Y148 L167 H171 R188	P19-I150 HydrophobicContact CG-CD1 3.9Å; L139-I150 HydrophobicContact CB-CD1 4.19Å; L139-I150 HydrophobicContact CB-CG1 3.85Å; L139-I150 VanDerWaalsContact O-CG1 3.29Å; L139-I150 WeakPolarHBondContact O-CG1 3.34Å; L139-I150 PolarHBondContact O-N 2.82Å; K141-I150 HydrophobicContact CB-CG2 3.82Å; Y148-I150 PolarHBondContact O-N 2.99Å; I150-L167 HydrophobicContact CD1-CD1 4.25Å; I150-H171 WeakPolarHBondContact CD1-CD2 3.34Å; I150-R188 PolarHBondContact O-NH2 3.08Å
151	G	96.7	Very high	95.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	167.1	179.6	0	0	0	0	0	111.3	L139	L139-G151 WeakPolarHBondContact CB-O 3.18Å; L139-G151 PolarHBondContact N-O 2.74Å
152	S	97.9	Very high	95.8	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.1	-179.2	-56.4	0	0	0	0	110.3	L137 K186 I187 R188	L137-S152 CarbonylContact O-C 3.6Å; L137-S152 WeakPolarHBondContact O-CA 3.18Å; S152-K186 PolarHBondContact N-O 2.72Å; S152-I187 CarbonylContact O-C 3.57Å; S152-I187 WeakPolarHBondContact O-CA 3.44Å; S152-R188 PolarHBondContact O-N 2.74Å
153	L	98.5	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.9	176.8	-63.7	169.8	0	0	0	109	V15 L18 V136 L137 L139 L155 F161 N189	V15-L153 HydrophobicContact CG1-CD2 3.97Å; V15-L153 HydrophobicContact CG2-CD2 4.08Å; L18-L153 HydrophobicContact CD1-CD1 4.38Å; L18-L153 HydrophobicContact CD1-CD2 4.14Å; L18-L153 HydrophobicContact CD1-CG 4.49Å; V136-L153 WeakPolarHBondContact CA-O 3.48Å; L137-L153 HydrophobicContact CB-CB 4.41Å; L137-L153 HydrophobicContact CD2-CD1 4.37Å; L137-L153 PolarHBondContact N-O 2.84Å; L137-L153 PolarHBondContact O-N 2.99Å; L139-L153 HydrophobicContact CD1-CD1 4.2Å; L153-L155 HydrophobicContact CB-CD2 4.08Å; L153-L155 PolarHBondContact O-N 3.32Å; L153-F161 HydrophobicContact CD1-CD2 3.76Å; L153-F161 HydrophobicContact CD1-CE1 4.33Å; L153-F161 HydrophobicContact CD1-CE2 3.18Å; L153-F161 HydrophobicContact CD1-CZ 3.48Å; L153-F161 VanDerWaalsContact CD1-CZ 3.48Å; L153-N189 WeakPolarHBondContact CA-OD1 3.33Å; L153-N189 HydrophobicContact CD2-CB 3.61Å
154	L	98.8	Very high	96.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	109.9	168.7	178.5	60.3	0	0	0	107.9	Y24 H134 V136 E156 I187 N189 Y197 L203	Y24-L154 WeakPolarHBondContact CE2-O 3.05Å; Y24-L154 VanDerWaalsContact CZ-O 3.29Å; Y24-L154 PolarHBondContact OH-O 3.07Å; H134-L154 HydrophobicContact CB-CD1 4.17Å; V136-L154 HydrophobicContact CG2-CD1 4.1Å; L154-E156 HydrophobicContact CG-CG 4.36Å; L154-I187 HydrophobicContact CB-CD1 4.4Å; L154-I187 HydrophobicContact CB-CG2 3.79Å; L154-N189 PolarHBondContact N-OD1 3.13Å; L154-N189 PolarHBondContact O-ND2 2.78Å; L154-Y197 HydrophobicContact CD2-CD1 4.47Å; L154-Y197 HydrophobicContact CD2-CD2 3.95Å; L154-Y197 HydrophobicContact CD2-CE1 4.29Å; L154-Y197 HydrophobicContact CD2-CE2 3.78Å; L154-Y197 HydrophobicContact CD2-CG 4.29Å; L154-L203 HydrophobicContact CD1-CD1 3.91Å; L154-L203 HydrophobicContact CD2-CD1 3.92Å
155	L	98.8	Very high	96.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	99.3	178.1	-54.5	-176.7	0	0	0	108.9	Y24 H134 A135 L137 L153 F161	Y24-L155 HydrophobicContact CD2-CD2 4.23Å; Y24-L155 HydrophobicContact CE2-CD2 4.05Å; H134-L155 CarbonylContact C-O 3.57Å; H134-L155 WeakPolarHBondContact CA-O 3.3Å; H134-L155 WeakPolarHBondContact CB-O 3.32Å; A135-L155 PolarHBondContact N-O 3.39Å; A135-L155 VanDerWaalsContact N-O 3.08Å; A135-L155 WeakPolarHBondContact O-CB 3.33Å; A135-L155 PolarHBondContact O-N 2.96Å; L137-L155 HydrophobicContact CB-CD1 3.91Å; L137-L155 HydrophobicContact CB-CG 4.22Å; L153-L155 HydrophobicContact CB-CD2 4.08Å; L153-L155 PolarHBondContact O-N 3.32Å; L155-F161 HydrophobicContact CD2-CB 3.89Å; L155-F161 HydrophobicContact CD2-CD1 4.46Å; L155-F161 HydrophobicContact CD2-CG 4.13Å
156	E	98.7	Very high	96.4	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.014	16%	0.159	C	C	.	.			trans	-74	156.6	-179.7	-64.7	165.2	108.6	0	0	111.9	Y24 A26 L154 G158 S159 C193 S194 Y197	Y24-E156 WeakPolarHBondContact OH-CB 3.24Å; Y24-E156 WeakPolarHBondContact OH-CG 3.39Å; Y24-E156 PolarHBondContact OH-N 2.96Å; Y24-E156 PolarHBondContact OH-OE2 3.18Å; A26-E156 WeakPolarHBondContact CB-OE2 3.45Å; L154-E156 HydrophobicContact CG-CG 4.36Å; E156-G158 PolarHBondContact O-N 3.26Å; E156-S159 PolarHBondContact N-OG 3.15Å; E156-S159 WeakPolarHBondContact O-CB 3.36Å; E156-S159 PolarHBondContact O-N 3.13Å; E156-S159 VanDerWaalsContact O-N 3.13Å; E156-S159 PolarHBondContact O-OG 2.99Å; E156-C193 VanDerWaalsContact OE2-CA 3.23Å; E156-C193 WeakPolarHBondContact OE2-CA 3.33Å; E156-S194 VanDerWaalsContact OE1-CB 3.29Å; E156-S194 WeakPolarHBondContact OE1-CB 3.44Å; E156-S194 PolarHBondContact OE1-N 3.23Å; E156-S194 PolarHBondContact OE1-OG 3.04Å; E156-S194 PolarHBondContact OE2-N 3.27Å; E156-Y197 PolarHBondContact OE1-OH 2.99Å
157	P	98.6	Very high	96.4	Very high	46 Å²	46	25.7 Å²	25.7	30%	0.299	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	139	167.1	-20.6	32.4	0	0	0	111.3	E34 G132 S159	E34-P157 WeakPolarHBondContact OE1-CB 3.25Å; G132-P157 WeakPolarHBondContact O-CG 3.28Å; P157-S159 PolarHBondContact O-N 3.21Å
158	G	98.4	Very high	96.4	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	5.8	-177	0	0	0	0	0	115.1	F28 L29 T130 E156	F28-G158 WeakPolarHBondContact CB-O 3.44Å; F28-G158 PolarHBondContact N-O 3.21Å; L29-G158 PolarHBondContact N-O 3.2Å; T130-G158 WeakPolarHBondContact O-CA 3.26Å; T130-G158 PolarHBondContact O-N 3.06Å; E156-G158 PolarHBondContact O-N 3.26Å
159	S	98.7	Very high	96.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.			trans	-82.3	155.5	178.6	68.1	0	0	0	0	113.5	Y24 V25 V129 T130 E156 P157	Y24-S159 WeakPolarHBondContact OH-CB 3.42Å; V25-S159 WeakPolarHBondContact O-CA 3.33Å; V129-S159 WeakPolarHBondContact CA-O 3.45Å; T130-S159 PolarHBondContact N-O 2.73Å; T130-S159 VanDerWaalsContact N-O 3.11Å; E156-S159 PolarHBondContact N-OG 3.15Å; E156-S159 WeakPolarHBondContact O-CB 3.36Å; E156-S159 PolarHBondContact O-N 3.13Å; E156-S159 VanDerWaalsContact O-N 3.13Å; E156-S159 PolarHBondContact O-OG 2.99Å; P157-S159 PolarHBondContact O-N 3.21Å
160	L	98.4	Very high	96.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.6	168.3	166.6	66.9	0	0	0	109.5	M4 Y24 V25 F28 F86 I127 V129 I162	M4-L160 HydrophobicContact CE-CD2 3.73Å; M4-L160 HydrophobicContact SD-CD2 4.36Å; Y24-L160 WeakPolarHBondContact CA-O 3.29Å; V25-L160 HydrophobicContact CB-CB 4.22Å; V25-L160 HydrophobicContact CG2-CD2 4.22Å; V25-L160 PolarHBondContact N-O 2.92Å; V25-L160 PolarHBondContact O-N 2.87Å; F28-L160 HydrophobicContact CB-CB 3.62Å; F28-L160 HydrophobicContact CD1-CB 3.69Å; F28-L160 HydrophobicContact CD1-CD2 4.49Å; F28-L160 HydrophobicContact CD2-CB 4.03Å; F28-L160 HydrophobicContact CD2-CD2 3.81Å; F28-L160 HydrophobicContact CE1-CB 4.36Å; F28-L160 HydrophobicContact CE2-CD2 3.88Å; F28-L160 HydrophobicContact CG-CB 3.49Å; F28-L160 VanDerWaalsContact CG-CB 3.49Å; F28-L160 HydrophobicContact CG-CD2 4.13Å; F28-L160 HydrophobicContact CG-CG 4.43Å; F28-L160 HydrophobicContact CZ-CD2 4.23Å; F86-L160 HydrophobicContact CE1-CD1 3.69Å; F86-L160 HydrophobicContact CE1-CD2 4.07Å; F86-L160 HydrophobicContact CZ-CD1 4.18Å; I127-L160 HydrophobicContact CG2-CD1 3.63Å; V129-L160 HydrophobicContact CG2-CD1 4.03Å; L160-I162 HydrophobicContact CD1-CD1 4.44Å; L160-I162 HydrophobicContact CD1-CG1 3.95Å; L160-I162 HydrophobicContact CD2-CD1 4.25Å; L160-I162 HydrophobicContact CD2-CG1 4.44Å; L160-I162 HydrophobicContact CG-CD1 4.47Å; L160-I162 HydrophobicContact CG-CG1 4.13Å
161	F	98.3	Very high	96	Very high	5 Å²	5	22.7 Å²	22.7	2%	0.022	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.7	169.7	167.8	-121.8	0	0	0	109.8	A22 F23 Y24 N128 L137 L153 L155 M163	A22-F161 HydrophobicContact CB-CE2 3.92Å; F23-F161 WeakPolarHBondContact O-CA 3.45Å; F23-F161 WeakPolarHBondContact O-CD2 3.4Å; Y24-F161 HydrophobicContact CD2-CB 4.42Å; N128-F161 HydrophobicContact CB-CB 4.38Å; N128-F161 HydrophobicContact CB-CD1 4.15Å; N128-F161 PolarHBondContact N-O 2.75Å; N128-F161 PolarHBondContact O-N 3.43Å; L137-F161 HydrophobicContact CD2-CD1 3.95Å; L137-F161 HydrophobicContact CD2-CE1 3.29Å; L137-F161 HydrophobicContact CD2-CZ 3.81Å; L153-F161 HydrophobicContact CD1-CD2 3.76Å; L153-F161 HydrophobicContact CD1-CE1 4.33Å; L153-F161 HydrophobicContact CD1-CE2 3.18Å; L153-F161 HydrophobicContact CD1-CZ 3.48Å; L153-F161 VanDerWaalsContact CD1-CZ 3.48Å; L155-F161 HydrophobicContact CD2-CB 3.89Å; L155-F161 HydrophobicContact CD2-CD1 4.46Å; L155-F161 HydrophobicContact CD2-CG 4.13Å; F161-M163 HydrophobicContact CE1-CB 3.91Å; F161-M163 HydrophobicContact CE2-CB 4.2Å; F161-M163 HydrophobicContact CZ-CB 3.55Å; F161-M163 HydrophobicContact CZ-CG 4.32Å; F161-M163 HydrophobicContact CZ-SD 4.24Å
162	I	97.5	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.6	174.1	-53.3	-177.6	0	0	0	108.3	L10 A22 F23 L92 M125 V126 I127 L160	L10-I162 HydrophobicContact CD1-CD1 3.97Å; L10-I162 HydrophobicContact CD2-CD1 4.12Å; A22-I162 CarbonylContact C-O 3.42Å; A22-I162 VanDerWaalsContact CA-O 3.28Å; A22-I162 WeakPolarHBondContact CA-O 3.49Å; F23-I162 HydrophobicContact CB-CB 4.28Å; F23-I162 HydrophobicContact CD2-CB 4.22Å; F23-I162 HydrophobicContact CD2-CG2 4.35Å; F23-I162 PolarHBondContact N-O 2.88Å; F23-I162 PolarHBondContact O-N 2.87Å; L92-I162 HydrophobicContact CD1-CD1 4.08Å; L92-I162 HydrophobicContact CD1-CG2 4.39Å; L92-I162 HydrophobicContact CD2-CD1 4.24Å; M125-I162 HydrophobicContact CG-CG2 4.12Å; M125-I162 HydrophobicContact SD-CG2 4.26Å; V126-I162 WeakPolarHBondContact O-CA 3.28Å; I127-I162 HydrophobicContact CG1-CD1 4.32Å; I127-I162 HydrophobicContact CG1-CG1 4.07Å; I127-I162 HydrophobicContact CG1-CG2 4.43Å; L160-I162 HydrophobicContact CD1-CD1 4.44Å; L160-I162 HydrophobicContact CD1-CG1 3.95Å; L160-I162 HydrophobicContact CD2-CD1 4.25Å; L160-I162 HydrophobicContact CD2-CG1 4.44Å; L160-I162 HydrophobicContact CG-CD1 4.47Å; L160-I162 HydrophobicContact CG-CG1 4.13Å
163	M	96	Very high	96	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.4	173.3	177.4	171.3	72.1	0	0	108.9	M125 V126 L139 F161 L167 Y168	M125-M163 CarbonylContact C-O 3.55Å; M125-M163 VanDerWaalsContact CA-O 3.29Å; M125-M163 WeakPolarHBondContact CA-O 3.28Å; V126-M163 HydrophobicContact CG1-CB 3.86Å; V126-M163 HydrophobicContact CG1-CE 3.7Å; V126-M163 PolarHBondContact N-O 2.9Å; V126-M163 PolarHBondContact O-N 2.96Å; L139-M163 HydrophobicContact CD2-SD 4.07Å; F161-M163 HydrophobicContact CE1-CB 3.91Å; F161-M163 HydrophobicContact CE2-CB 4.2Å; F161-M163 HydrophobicContact CZ-CB 3.55Å; F161-M163 HydrophobicContact CZ-CG 4.32Å; F161-M163 HydrophobicContact CZ-SD 4.24Å; M163-L167 HydrophobicContact CG-CB 4Å; M163-L167 HydrophobicContact CG-CD2 3.95Å; M163-L167 HydrophobicContact CG-CG 3.85Å; M163-L167 HydrophobicContact SD-CD2 4.27Å; M163-L167 HydrophobicContact SD-CG 3.92Å; M163-Y168 HydrophobicContact CE-CD2 3.94Å
164	K	94.1	Very high	96	Very high	42 Å²	42	24.5 Å²	24.5	18%	0.183	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	174.1	-177.5	63.1	-179.9	-70.6	-87.7	0	112.1	T21 F23 P124 M125 L167 Y168	T21-K164 HydrophobicContact CG2-CD 3.74Å; T21-K164 HydrophobicContact CG2-CG 3.58Å; T21-K164 PolarHBondContact O-N 3.21Å; F23-K164 HydrophobicContact CE2-CD 4.08Å; P124-K164 WeakPolarHBondContact O-CA 3.37Å; M125-K164 HydrophobicContact CB-CB 4.12Å; M125-K164 HydrophobicContact CE-CB 3.94Å; M125-K164 HydrophobicContact CE-CD 3.79Å; M125-K164 HydrophobicContact CE-CG 4.48Å; M125-K164 HydrophobicContact CG-CB 4.1Å; K164-L167 PolarHBondContact O-N 2.87Å; K164-Y168 PolarHBondContact O-N 3.47Å
165	D	90.3	Very high	96	Very high	47 Å²	47	24.9 Å²	24.9	25%	0.251	13%	0.131	S	C	.	.	H	α-helix	trans	55.2	-137.7	174.8	-42.4	-34.3	0	0	0	112.1	T21 P124 L167 Y168 T169	T21-D165 PolarHBondContact OG1-OD2 3.15Å; P124-D165 PolarHBondContact O-N 3.14Å; D165-L167 PolarHBondContact O-N 3.27Å; D165-Y168 WeakPolarHBondContact O-CA 3.39Å; D165-Y168 WeakPolarHBondContact O-CB 3.48Å; D165-Y168 PolarHBondContact O-N 3.18Å; D165-T169 PolarHBondContact O-N 3.39Å; D165-T169 PolarHBondContact O-OG1 3.49Å
166	E	91.5	Very high	95.9	Very high	109 Å²	109	29.5 Å²	29.5	51%	0.509	15%	0.152	S	C	.	.	H	α-helix	trans	-61.3	-27.9	-175.4	-57.6	82.6	-178.6	0	0	112.8	A20 Y168 T169 D170 H171	A20-E166 HydrophobicContact CB-CB 4.24Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 3.39Å; E166-T169 WeakPolarHBondContact CA-OG1 3.25Å; E166-D170 VanDerWaalsContact O-CB 3.3Å; E166-D170 WeakPolarHBondContact O-CB 3.23Å; E166-D170 PolarHBondContact O-N 3Å; E166-H171 PolarHBondContact O-ND1 3.19Å; E166-H171 VanDerWaalsContact O-ND1 3.16Å
167	L	93.7	Very high	95.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.9	-34.8	175.1	-164.5	60.2	0	0	0	111.3	L18 A20 A22 L139 I150 M163 K164 D165 H171	L18-L167 HydrophobicContact CD1-CD2 4.13Å; A20-L167 HydrophobicContact CB-CB 3.71Å; A20-L167 HydrophobicContact CB-CD1 4.43Å; A22-L167 HydrophobicContact CB-CD2 3.64Å; L139-L167 HydrophobicContact CD1-CD1 4.24Å; L139-L167 HydrophobicContact CD1-CD2 4.19Å; I150-L167 HydrophobicContact CD1-CD1 4.25Å; M163-L167 HydrophobicContact CG-CB 4Å; M163-L167 HydrophobicContact CG-CD2 3.95Å; M163-L167 HydrophobicContact CG-CG 3.85Å; M163-L167 HydrophobicContact SD-CD2 4.27Å; M163-L167 HydrophobicContact SD-CG 3.92Å; K164-L167 PolarHBondContact O-N 2.87Å; D165-L167 PolarHBondContact O-N 3.27Å; L167-H171 HydrophobicContact CD1-CB 4.23Å; L167-H171 WeakPolarHBondContact O-CB 3.45Å
168	Y	93.8	Very high	95.9	Very high	16 Å²	16	35.2 Å²	35.2	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-77.2	-40.8	176.8	-179.1	-86.3	0	0	0	112.2	D118 Y122 P124 V126 M163 K164 D165 E166	D118-Y168 HydrophobicContact CB-CE2 4.04Å; D118-Y168 WeakPolarHBondContact CB-OH 3.5Å; Y122-Y168 WeakPolarHBondContact CB-OH 3.29Å; P124-Y168 HydrophobicContact CB-CD1 3.8Å; P124-Y168 HydrophobicContact CB-CE1 4.29Å; V126-Y168 HydrophobicContact CB-CD2 4.21Å; V126-Y168 HydrophobicContact CB-CE2 3.9Å; V126-Y168 HydrophobicContact CG1-CD2 3.86Å; V126-Y168 HydrophobicContact CG1-CE2 3.96Å; M163-Y168 HydrophobicContact CE-CD2 3.94Å; K164-Y168 PolarHBondContact O-N 3.47Å; D165-Y168 WeakPolarHBondContact O-CA 3.39Å; D165-Y168 WeakPolarHBondContact O-CB 3.48Å; D165-Y168 PolarHBondContact O-N 3.18Å; E166-Y168 VanDerWaalsContact C-N 3.28Å; E166-Y168 PolarHBondContact O-N 3.39Å
169	T	91.7	Very high	95.9	Very high	75 Å²	75	38.5 Å²	38.5	46%	0.46	20%	0.197	S	C	.	.	H	α-helix	trans	-83	-35.7	-172.2	58.3	0	0	0	0	113.5	P124 D165 E166	P124-T169 HydrophobicContact CB-CG2 3.81Å; D165-T169 PolarHBondContact O-N 3.39Å; D165-T169 PolarHBondContact O-OG1 3.49Å; E166-T169 WeakPolarHBondContact CA-OG1 3.25Å
170	D	91.9	Very high	95.9	Very high	102 Å²	102	40.4 Å²	40.4	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-109.4	-5.7	-164.4	-57.5	-2.2	0	0	0	113.1	E166	E166-D170 VanDerWaalsContact O-CB 3.3Å; E166-D170 WeakPolarHBondContact O-CB 3.23Å; E166-D170 PolarHBondContact O-N 3Å
171	H	94.7	Very high	95.9	Very high	21 Å²	21	40.5 Å²	40.5	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.1	-176.2	-59.5	78	0	0	0	111.8	F140 I150 E166 L167	F140-H171 CarbonylContact O-C 3.56Å; F140-H171 WeakPolarHBondContact O-CA 3.48Å; F140-H171 WeakPolarHBondContact O-CB 3.42Å; I150-H171 WeakPolarHBondContact CD1-CD2 3.34Å; E166-H171 PolarHBondContact O-ND1 3.19Å; E166-H171 VanDerWaalsContact O-ND1 3.16Å; L167-H171 HydrophobicContact CD1-CB 4.23Å; L167-H171 WeakPolarHBondContact O-CB 3.45Å
172	L	96.5	Very high	95.9	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	152.4	170.3	-61.8	81.9	0	0	0	108.7	P115 H116 T117 L139 F140 Q142	P115-L172 HydrophobicContact CB-CB 4.06Å; P115-L172 HydrophobicContact CB-CD2 4.05Å; H116-L172 WeakPolarHBondContact O-CA 3.24Å; T117-L172 HydrophobicContact CG2-CG 4.32Å; L139-L172 CarbonylContact C-O 3.55Å; L139-L172 WeakPolarHBondContact CA-O 3.42Å; F140-L172 HydrophobicContact CB-CB 4.26Å; F140-L172 PolarHBondContact N-O 3.02Å; F140-L172 PolarHBondContact O-N 2.93Å; Q142-L172 HydrophobicContact CB-CD1 3.85Å
173	H	97.4	Very high	95.9	Very high	20 Å²	20	44 Å²	44	9%	0.093	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.6	172.7	62.2	-81.9	0	0	0	110.9	P115 H116 D118 L137 E138 L139	P115-H173 WeakPolarHBondContact CA-O 3.42Å; H116-H173 AromaticContact CE1-CD2 3.79Å; H116-H173 AromaticContact CE1-NE2 3.59Å; H116-H173 PolarHBondContact CE1-O 3.39Å; H116-H173 PolarHBondContact N-O 3.09Å; H116-H173 PolarHBondContact ND1-O 3.36Å; H116-H173 AromaticContact NE2-NE2 3.51Å; H116-H173 PolarHBondContact O-N 2.95Å; H116-H173 PolarHBondContact O-ND1 3.2Å; D118-H173 IonicContact OD1-CE1 3.8Å; D118-H173 IonicContact OD1-NE2 3.7Å; L137-H173 HydrophobicContact CD1-CB 4.01Å; L137-H173 HydrophobicContact CG-CB 4.45Å; E138-H173 CarbonylContact O-C 3.54Å; E138-H173 VanDerWaalsContact O-CA 3.27Å; E138-H173 WeakPolarHBondContact O-CA 3.45Å; L139-H173 HydrophobicContact CD2-CB 3.78Å
174	G	98	Very high	95.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	162.5	-176.3	0	0	0	0	0	112.2	I113 E138	I113-G174 CarbonylContact O-C 3.58Å; I113-G174 VanDerWaalsContact O-CA 3.29Å; I113-G174 WeakPolarHBondContact O-CA 3.49Å; E138-G174 PolarHBondContact N-O 3.27Å; E138-G174 PolarHBondContact O-N 3.19Å
175	I	98.6	Very high	96	Very high	9 Å²	9	49 Å²	49	5%	0.046	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.9	170.4	-61.8	172.4	0	0	0	105	G112 I113 A135 L137	G112-I175 CarbonylContact C-O 3.59Å; G112-I175 WeakPolarHBondContact CA-O 3.34Å; I113-I175 CarbonylContact C-O 3.59Å; I113-I175 HydrophobicContact CG2-CB 4.23Å; I113-I175 HydrophobicContact CG2-CG1 4.36Å; I113-I175 PolarHBondContact N-O 3.33Å; I113-I175 PolarHBondContact O-N 3.26Å; A135-I175 HydrophobicContact CB-CD1 4.07Å; A135-I175 HydrophobicContact CB-CG2 4.27Å; L137-I175 HydrophobicContact CD1-CG1 4.02Å
176	E	98	Very high	96.3	Very high	98 Å²	98	51.3 Å²	51.3	46%	0.458	27%	0.266	S	S	.	.			trans	-67.8	149.9	-177.9	-162.4	-177	101.6	0	0	112	R178 R205	E176-R178 PolarHBondContact O-N 2.97Å; E176-R178 IonicContact OE1-CZ 3.77Å; E176-R178 IonicContact OE1-NE 3.15Å; E176-R178 PolarHBondContact OE1-NE 3.39Å; E176-R178 IonicContact OE1-NH2 2.75Å; E176-R178 PolarHBondContact OE1-NH2 2.81Å; E176-R178 VanDerWaalsContact OE1-NH2 3.16Å; E176-R178 IonicContact OE2-CZ 2.73Å; E176-R178 IonicContact OE2-NE 3.36Å; E176-R178 IonicContact OE2-NH2 3.68Å; E176-R178 PolarHBondContact OE2-NH2 2.9Å; E176-R205 PolarHBondContact O-NH1 2.87Å; E176-R205 PolarHBondContact O-NH2 2.99Å
177	N	98.1	Very high	96.6	Very high	103 Å²	103	46.5 Å²	46.5	55%	0.551	24%	0.243	S	C	*	.	S	Bend	trans	-71.1	94.6	172.4	-68.4	-22.8	0	0	0	110.6	G110 G112	G110-N177 CarbonylContact O-C 3.51Å; G110-N177 VanDerWaalsContact O-CA 3.3Å; G110-N177 WeakPolarHBondContact O-CA 3.2Å; G110-N177 WeakPolarHBondContact O-CB 3.5Å; G112-N177 VanDerWaalsContact CA-OD1 3.27Å; G112-N177 WeakPolarHBondContact CA-OD1 3.45Å; G112-N177 PolarHBondContact N-OD1 2.87Å
178	R	98	Very high	96.8	Very high	66 Å²	66	50.6 Å²	50.6	25%	0.249	26%	0.259	C	S	.	.			trans	-151.5	161.8	175	58.5	-178.9	92	129.6	-4.2	111.6	G110 E138 E176 S180 D181 R205	G110-R178 VanDerWaalsContact CA-O 3.29Å; G110-R178 WeakPolarHBondContact CA-O 3.35Å; G110-R178 PolarHBondContact N-O 3.2Å; G110-R178 VanDerWaalsContact N-O 3.12Å; E138-R178 IonicContact OE1-CZ 2.67Å; E138-R178 IonicContact OE1-NH1 3.16Å; E138-R178 IonicContact OE1-NH2 3.64Å; E138-R178 PolarHBondContact OE1-NH2 2.55Å; E176-R178 PolarHBondContact O-N 2.97Å; E176-R178 IonicContact OE1-CZ 3.77Å; E176-R178 IonicContact OE1-NE 3.15Å; E176-R178 PolarHBondContact OE1-NE 3.39Å; E176-R178 IonicContact OE1-NH2 2.75Å; E176-R178 PolarHBondContact OE1-NH2 2.81Å; E176-R178 VanDerWaalsContact OE1-NH2 3.16Å; E176-R178 IonicContact OE2-CZ 2.73Å; E176-R178 IonicContact OE2-NE 3.36Å; E176-R178 IonicContact OE2-NH2 3.68Å; E176-R178 PolarHBondContact OE2-NH2 2.9Å; R178-S180 WeakPolarHBondContact CD-O 3.26Å; R178-S180 WeakPolarHBondContact CG-O 3.27Å; R178-D181 WeakPolarHBondContact CD-OD1 3.31Å; R178-D181 IonicContact NH1-OD1 2.98Å; R178-D181 PolarHBondContact NH1-OD1 3.35Å; R178-D181 VanDerWaalsContact NH1-OD1 3.12Å; R178-R205 VanDerWaalsContact CG-NH2 3.34Å; R178-R205 WeakPolarHBondContact O-CD 3.34Å; R178-R205 PolarHBondContact O-NH1 2.8Å; R178-R205 VanDerWaalsContact O-NH1 3.15Å
179	C	98.6	Very high	96.9	Very high	71 Å²	71	49.9 Å²	49.9	48%	0.48	26%	0.256	S	S	.	.	S	Bend	trans	-94.1	-14.5	-177.8	-63.7	0	0	0	0	113.7	R205	C179-R205 WeakPolarHBondContact O-CB 3.12Å; C179-R205 PolarHBondContact O-N 2.9Å
180	S	98.7	Very high	97.1	Very high	41 Å²	41	49.3 Å²	49.3	29%	0.287	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.4	177.3	61.7	0	0	0	0	110.5	R178 L203	R178-S180 WeakPolarHBondContact CD-O 3.26Å; R178-S180 WeakPolarHBondContact CG-O 3.27Å; S180-L203 CarbonylContact C-O 3.48Å; S180-L203 WeakPolarHBondContact CA-O 3.27Å; S180-L203 WeakPolarHBondContact CB-O 3.36Å
181	D	98.6	Very high	97.3	Very high	2 Å²	2	52 Å²	52	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146	174.8	-69.9	-62.2	0	0	0	110.6	H134 V136 R178 V202 L203 R205	H134-D181 IonicContact CD2-OD2 2.99Å; H134-D181 IonicContact NE2-OD2 3.43Å; V136-D181 HydrophobicContact CB-CB 4.43Å; V136-D181 HydrophobicContact CG2-CB 3.57Å; V136-D181 VanDerWaalsContact CG2-CG 3.41Å; R178-D181 WeakPolarHBondContact CD-OD1 3.31Å; R178-D181 IonicContact NH1-OD1 2.98Å; R178-D181 PolarHBondContact NH1-OD1 3.35Å; R178-D181 VanDerWaalsContact NH1-OD1 3.12Å; D181-V202 CarbonylContact O-C 3.57Å; D181-V202 WeakPolarHBondContact O-CA 3.48Å; D181-L203 PolarHBondContact N-O 2.99Å; D181-L203 PolarHBondContact O-N 2.96Å; D181-R205 VanDerWaalsContact CG-NH2 3.31Å; D181-R205 IonicContact OD1-CZ 3.89Å; D181-R205 IonicContact OD1-NE 3.89Å; D181-R205 IonicContact OD1-NH2 3.94Å; D181-R205 PolarHBondContact OD1-NH2 3.17Å; D181-R205 IonicContact OD2-CZ 2.94Å; D181-R205 VanDerWaalsContact OD2-CZ 3.27Å; D181-R205 IonicContact OD2-NE 3.96Å; D181-R205 PolarHBondContact OD2-NE 3.46Å; D181-R205 IonicContact OD2-NH2 3.93Å; D181-R205 PolarHBondContact OD2-NH2 3.48Å
182	T	98.1	Very high	97.4	Very high	74 Å²	74	53 Å²	53	45%	0.454	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.5	173.2	-58.3	0	0	0	0	109	D184 A201	T182-D184 PolarHBondContact O-N 2.86Å; T182-A201 CarbonylContact C-O 3.58Å; T182-A201 WeakPolarHBondContact CA-O 3.18Å
183	V	97.9	Very high	97.5	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.024	27%	0.266	C	S	.	.			trans	-80.6	100.6	177.2	-178.2	0	0	0	0	109.7	I187 K190 Y197 G200 A201 L203	V183-I187 HydrophobicContact CG1-CG1 4.43Å; V183-K190 HydrophobicContact CG1-CD 4.46Å; V183-Y197 HydrophobicContact CG2-CD1 4.29Å; V183-Y197 HydrophobicContact CG2-CG 4.35Å; V183-G200 PolarHBondContact O-N 2.77Å; V183-A201 HydrophobicContact CB-CB 4.44Å; V183-A201 HydrophobicContact CG2-CB 4.44Å; V183-A201 PolarHBondContact N-O 3.03Å; V183-L203 HydrophobicContact CG2-CD1 3.79Å; V183-L203 HydrophobicContact CG2-CG 4.09Å
184	D	96.4	Very high	97.4	Very high	35 Å²	35	54.2 Å²	54.2	19%	0.187	28%	0.279	C	S	.	.			trans	-116.4	-178.9	-178.2	70.5	10.4	0	0	0	111.8	T182 K186 I187 K190	T182-D184 PolarHBondContact O-N 2.86Å; D184-K186 PolarHBondContact O-N 2.91Å; D184-K186 WeakPolarHBondContact OD1-CA 3.35Å; D184-K186 WeakPolarHBondContact OD1-CB 3.33Å; D184-K186 PolarHBondContact OD1-N 3Å; D184-K186 IonicContact OD2-NZ 3.78Å; D184-I187 PolarHBondContact O-N 3.15Å; D184-K190 VanDerWaalsContact C-NZ 3.26Å; D184-K190 WeakPolarHBondContact O-CE 3.39Å; D184-K190 PolarHBondContact O-NZ 3.04Å
185	E	95.5	Very high	97.3	Very high	115 Å²	115	60.2 Å²	60.2	54%	0.537	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.2	179.1	71.5	-69.2	160.9	0	0	115.1	R188 H199	E185-R188 PolarHBondContact O-NH1 2.85Å; E185-R188 VanDerWaalsContact O-NH1 3.08Å; E185-H199 IonicContact OE2-CE1 3.46Å; E185-H199 PolarHBondContact OE2-CE1 3.23Å
186	K	96.8	Very high	97.2	Very high	94 Å²	94	68.8 Å²	68.8	41%	0.409	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-24.7	177.5	-56.7	173.2	-173.8	158.5	0	111.7	S152 D184 R188	S152-K186 PolarHBondContact N-O 2.72Å; D184-K186 PolarHBondContact O-N 2.91Å; D184-K186 WeakPolarHBondContact OD1-CA 3.35Å; D184-K186 WeakPolarHBondContact OD1-CB 3.33Å; D184-K186 PolarHBondContact OD1-N 3Å; D184-K186 IonicContact OD2-NZ 3.78Å; K186-R188 WeakPolarHBondContact O-CD 3.11Å; K186-R188 WeakPolarHBondContact O-CG 3.2Å; K186-R188 PolarHBondContact O-N 2.74Å
187	I	97.8	Very high	97.1	Very high	8 Å²	8	66.2 Å²	66.2	4%	0.041	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-65	107	174.4	-52.8	-64.5	0	0	0	109	V136 S152 L154 V183 D184 N189 K190	V136-I187 HydrophobicContact CG1-CD1 3.77Å; V136-I187 HydrophobicContact CG2-CD1 3.9Å; S152-I187 CarbonylContact O-C 3.57Å; S152-I187 WeakPolarHBondContact O-CA 3.44Å; L154-I187 HydrophobicContact CB-CD1 4.4Å; L154-I187 HydrophobicContact CB-CG2 3.79Å; V183-I187 HydrophobicContact CG1-CG1 4.43Å; D184-I187 PolarHBondContact O-N 3.15Å; I187-N189 VanDerWaalsContact CG2-OD1 3.31Å; I187-N189 WeakPolarHBondContact CG2-OD1 3.3Å; I187-K190 HydrophobicContact CB-CD 4.49Å; I187-K190 HydrophobicContact CB-CG 3.92Å; I187-K190 HydrophobicContact CG2-CG 3.71Å; I187-K190 WeakPolarHBondContact O-CG 3.44Å
188	R	97.4	Very high	97	Very high	86 Å²	86	65.8 Å²	65.8	33%	0.325	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-23.6	-172.9	-62.8	-45.7	-170.7	-171.4	3.1	113.5	V15 Q17 L18 I150 S152 E185 K186	V15-R188 HydrophobicContact CG1-CB 3.9Å; Q17-R188 HydrophobicContact CB-CB 3.97Å; Q17-R188 HydrophobicContact CB-CG 4.32Å; Q17-R188 PolarHBondContact OE1-O 3.4Å; Q17-R188 VanDerWaalsContact OE1-O 3.13Å; L18-R188 HydrophobicContact CD2-CB 4.24Å; L18-R188 HydrophobicContact CD2-CG 3.8Å; L18-R188 HydrophobicContact CG-CB 4.16Å; L18-R188 HydrophobicContact CG-CG 4.24Å; I150-R188 PolarHBondContact O-NH2 3.08Å; S152-R188 PolarHBondContact O-N 2.74Å; E185-R188 PolarHBondContact O-NH1 2.85Å; E185-R188 VanDerWaalsContact O-NH1 3.08Å; K186-R188 WeakPolarHBondContact O-CD 3.11Å; K186-R188 WeakPolarHBondContact O-CG 3.2Å; K186-R188 PolarHBondContact O-N 2.74Å
189	N	97.4	Very high	96.9	Very high	1 Å²	1	69 Å²	69	1%	0.005	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	20.2	-179.1	68.7	-33.8	0	0	0	114.3	V15 Y24 L153 L154 I187 L191 L192 C193	V15-N189 HydrophobicContact CG1-CB 4.23Å; V15-N189 HydrophobicContact CG2-CB 4.16Å; Y24-N189 HydrophobicContact CD1-CB 4.11Å; Y24-N189 VanDerWaalsContact CD1-ND2 3.25Å; Y24-N189 WeakPolarHBondContact CD1-ND2 3.33Å; Y24-N189 WeakPolarHBondContact CD2-ND2 3.1Å; Y24-N189 VanDerWaalsContact CE1-ND2 3.29Å; Y24-N189 WeakPolarHBondContact CE1-ND2 3.27Å; Y24-N189 WeakPolarHBondContact CE2-ND2 3.29Å; Y24-N189 HydrophobicContact CG-CB 4.2Å; Y24-N189 VanDerWaalsContact CG-ND2 3.3Å; L153-N189 WeakPolarHBondContact CA-OD1 3.33Å; L153-N189 HydrophobicContact CD2-CB 3.61Å; L154-N189 PolarHBondContact N-OD1 3.13Å; L154-N189 PolarHBondContact O-ND2 2.78Å; I187-N189 VanDerWaalsContact CG2-OD1 3.31Å; I187-N189 WeakPolarHBondContact CG2-OD1 3.3Å; N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 3.14Å; N189-L192 PolarHBondContact O-N 3.05Å; N189-C193 PolarHBondContact O-N 3.16Å; N189-C193 PolarHBondContact O-SG 3.12Å
190	K	95.6	Very high	96.8	Very high	64 Å²	64	67.4 Å²	67.4	28%	0.278	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-52.8	-44	-177.2	-74.4	-176.3	-174.4	-171.5	0	113.7	V183 D184 I187 L192 C193	V183-K190 HydrophobicContact CG1-CD 4.46Å; D184-K190 VanDerWaalsContact C-NZ 3.26Å; D184-K190 WeakPolarHBondContact O-CE 3.39Å; D184-K190 PolarHBondContact O-NZ 3.04Å; I187-K190 HydrophobicContact CB-CD 4.49Å; I187-K190 HydrophobicContact CB-CG 3.92Å; I187-K190 HydrophobicContact CG2-CG 3.71Å; I187-K190 WeakPolarHBondContact O-CG 3.44Å; K190-L192 PolarHBondContact O-N 3.26Å; K190-C193 WeakPolarHBondContact O-CB 3.3Å; K190-C193 PolarHBondContact O-N 3.48Å
191	L	95	Very high	96.8	Very high	158 Å²	158	66.6 Å²	66.6	83%	0.827	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-69.8	-15.4	-178.2	-61.3	179.3	0	0	0	113.3	N189	N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 3.14Å
192	L	97	Very high	96.8	Very high	41 Å²	41	70.5 Å²	70.5	22%	0.215	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-100.7	-2.3	177.9	-62.1	171.1	0	0	0	112.4	Y13 V15 Y24 A26 N189 K190	Y13-L192 WeakPolarHBondContact O-CD1 3.43Å; V15-L192 HydrophobicContact CG2-CD1 4Å; Y24-L192 HydrophobicContact CD1-CB 3.74Å; Y24-L192 HydrophobicContact CE1-CB 4.49Å; Y24-L192 WeakPolarHBondContact CE1-O 3.46Å; A26-L192 WeakPolarHBondContact CB-O 3.29Å; N189-L192 PolarHBondContact O-N 3.05Å; K190-L192 PolarHBondContact O-N 3.26Å
193	C	98.1	Very high	96.8	Very high	16 Å²	16	68.4 Å²	68.4	11%	0.108	35%	0.353	C	S	.	.	S	Bend	trans	-70.1	157.5	177.8	-66.9	0	0	0	0	111.4	E156 N189 K190 K195 Y197	E156-C193 VanDerWaalsContact OE2-CA 3.23Å; E156-C193 WeakPolarHBondContact OE2-CA 3.33Å; N189-C193 PolarHBondContact O-N 3.16Å; N189-C193 PolarHBondContact O-SG 3.12Å; K190-C193 WeakPolarHBondContact O-CB 3.3Å; K190-C193 PolarHBondContact O-N 3.48Å; C193-K195 PolarHBondContact O-N 2.97Å; C193-K195 VanDerWaalsContact O-N 3.09Å; C193-Y197 HydrophobicContact CB-CD2 4.18Å; C193-Y197 HydrophobicContact CB-CE2 3.99Å
194	S	96.6	Very high	96.8	Very high	52 Å²	52	74.6 Å²	74.6	36%	0.364	38%	0.382	S	S	.	.	S	Bend	trans	-62.6	-20.1	-176.7	68.7	0	0	0	0	114.3	N27 E156	N27-S194 WeakPolarHBondContact ND2-CB 3.34Å; E156-S194 VanDerWaalsContact OE1-CB 3.29Å; E156-S194 WeakPolarHBondContact OE1-CB 3.44Å; E156-S194 PolarHBondContact OE1-N 3.23Å; E156-S194 PolarHBondContact OE1-OG 3.04Å; E156-S194 PolarHBondContact OE2-N 3.27Å
195	K	96	Very high	97	Very high	127 Å²	127	73.9 Å²	73.9	55%	0.552	38%	0.376	S	S	*	.	S	Bend	trans	-155.1	165.7	-179.7	62.9	-176.8	178.2	-178.7	0	110	C193 Y197	C193-K195 PolarHBondContact O-N 2.97Å; C193-K195 VanDerWaalsContact O-N 3.09Å; K195-Y197 VanDerWaalsContact CE-OH 3.27Å; K195-Y197 WeakPolarHBondContact CE-OH 3.31Å; K195-Y197 HydrophobicContact CG-CD2 4.24Å; K195-Y197 HydrophobicContact CG-CE2 3.7Å; K195-Y197 VanDerWaalsContact O-CD2 3.24Å; K195-Y197 WeakPolarHBondContact O-CD2 3.39Å
196	E	95.7	Very high	97.1	Very high	189 Å²	189	69.8 Å²	69.8	88%	0.883	37%	0.365	S	S	*	.			trans	-73	133.5	171.2	-65.6	-174.5	178.6	0	0	111.1
197	Y	96.2	Very high	97.2	Very high	44 Å²	44	68.9 Å²	68.9	17%	0.173	36%	0.361	C	S	.	.			trans	-112	117.8	173.2	-71.1	-90.6	0	0	0	108.5	L154 E156 V183 C193 K195 L203	L154-Y197 HydrophobicContact CD2-CD1 4.47Å; L154-Y197 HydrophobicContact CD2-CD2 3.95Å; L154-Y197 HydrophobicContact CD2-CE1 4.29Å; L154-Y197 HydrophobicContact CD2-CE2 3.78Å; L154-Y197 HydrophobicContact CD2-CG 4.29Å; E156-Y197 PolarHBondContact OE1-OH 2.99Å; V183-Y197 HydrophobicContact CG2-CD1 4.29Å; V183-Y197 HydrophobicContact CG2-CG 4.35Å; C193-Y197 HydrophobicContact CB-CD2 4.18Å; C193-Y197 HydrophobicContact CB-CE2 3.99Å; K195-Y197 VanDerWaalsContact CE-OH 3.27Å; K195-Y197 WeakPolarHBondContact CE-OH 3.31Å; K195-Y197 HydrophobicContact CG-CD2 4.24Å; K195-Y197 HydrophobicContact CG-CE2 3.7Å; K195-Y197 VanDerWaalsContact O-CD2 3.24Å; K195-Y197 WeakPolarHBondContact O-CD2 3.39Å; Y197-L203 HydrophobicContact CD1-CD1 3.93Å; Y197-L203 HydrophobicContact CD1-CD2 3.86Å; Y197-L203 HydrophobicContact CD1-CG 4.44Å; Y197-L203 HydrophobicContact CE1-CD1 3.66Å; Y197-L203 HydrophobicContact CE1-CD2 3.72Å; Y197-L203 HydrophobicContact CE1-CG 4.34Å
198	P	95.4	Very high	97.2	Very high	94 Å²	94	68.8 Å²	68.8	61%	0.61	36%	0.361	S	S	*	.			trans	-55.2	143.3	176.4	-25.5	34	0	0	0	111.5	G200 A201	P198-G200 PolarHBondContact O-N 2.78Å; P198-A201 HydrophobicContact CB-CB 4.38Å; P198-A201 WeakPolarHBondContact O-CB 3.36Å; P198-A201 PolarHBondContact O-N 2.92Å
199	H	95.8	Very high	97.3	Very high	132 Å²	132	64.7 Å²	64.7	61%	0.611	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	132.5	172.2	-179.7	92	0	0	0	109.8	E185 A201	E185-H199 IonicContact OE2-CE1 3.46Å; E185-H199 PolarHBondContact OE2-CE1 3.23Å; H199-A201 VanDerWaalsContact C-N 3.29Å
200	G	97.5	Very high	97.4	Very high	39 Å²	39	64.8 Å²	64.8	40%	0.402	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	0.6	-174.8	0	0	0	0	0	114.6	V183 P198 V202	V183-G200 PolarHBondContact O-N 2.77Å; P198-G200 PolarHBondContact O-N 2.78Å; G200-V202 PolarHBondContact O-N 2.88Å
201	A	97.6	Very high	97.5	Very high	24 Å²	24	61.7 Å²	61.7	20%	0.198	33%	0.332	C	S	.	.			trans	-59.8	133.9	174.5	0	0	0	0	0	110.8	T182 V183 P198 H199	T182-A201 CarbonylContact C-O 3.58Å; T182-A201 WeakPolarHBondContact CA-O 3.18Å; V183-A201 HydrophobicContact CB-CB 4.44Å; V183-A201 HydrophobicContact CG2-CB 4.44Å; V183-A201 PolarHBondContact N-O 3.03Å; P198-A201 HydrophobicContact CB-CB 4.38Å; P198-A201 WeakPolarHBondContact O-CB 3.36Å; P198-A201 PolarHBondContact O-N 2.92Å; H199-A201 VanDerWaalsContact C-N 3.29Å
202	V	98.5	Very high	97.7	Very high	83 Å²	83	54.8 Å²	54.8	50%	0.503	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.2	178.3	-178.8	0	0	0	0	109.6	D181 G200	D181-V202 CarbonylContact O-C 3.57Å; D181-V202 WeakPolarHBondContact O-CA 3.48Å; G200-V202 PolarHBondContact O-N 2.88Å
203	L	98.5	Very high	97.8	Very high	31 Å²	31	52.8 Å²	52.8	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.2	-179.8	-53.9	-178.2	0	0	0	109.6	H134 L154 S180 D181 V183 Y197	H134-L203 WeakPolarHBondContact CE1-CB 3.45Å; H134-L203 VanDerWaalsContact NE2-CB 3.31Å; H134-L203 WeakPolarHBondContact NE2-CB 3.41Å; L154-L203 HydrophobicContact CD1-CD1 3.91Å; L154-L203 HydrophobicContact CD2-CD1 3.92Å; S180-L203 CarbonylContact C-O 3.48Å; S180-L203 WeakPolarHBondContact CA-O 3.27Å; S180-L203 WeakPolarHBondContact CB-O 3.36Å; D181-L203 PolarHBondContact N-O 2.99Å; D181-L203 PolarHBondContact O-N 2.96Å; V183-L203 HydrophobicContact CG2-CD1 3.79Å; V183-L203 HydrophobicContact CG2-CG 4.09Å; Y197-L203 HydrophobicContact CD1-CD1 3.93Å; Y197-L203 HydrophobicContact CD1-CD2 3.86Å; Y197-L203 HydrophobicContact CD1-CG 4.44Å; Y197-L203 HydrophobicContact CE1-CD1 3.66Å; Y197-L203 HydrophobicContact CE1-CD2 3.72Å; Y197-L203 HydrophobicContact CE1-CG 4.34Å
204	Q	98.7	Very high	97.7	Very high	133 Å²	133	52.3 Å²	52.3	62%	0.621	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.6	178.1	-64	-59.7	-36.8	0	0	110.4	H134	H134-Q204 PolarHBondContact CE1-O 2.8Å; H134-Q204 VanDerWaalsContact CE1-O 3.23Å
205	R	98.7	Very high	97.7	Very high	20 Å²	20	50.1 Å²	50.1	8%	0.075	27%	0.266	C	S	.	.			trans	-75	134	174.8	-63.3	-172.4	-175.3	173.9	-1.1	109.3	P109 E176 R178 C179 D181	P109-R205 VanDerWaalsContact CG-O 3.28Å; P109-R205 WeakPolarHBondContact CG-O 3.29Å; E176-R205 PolarHBondContact O-NH1 2.87Å; E176-R205 PolarHBondContact O-NH2 2.99Å; R178-R205 VanDerWaalsContact CG-NH2 3.34Å; R178-R205 WeakPolarHBondContact O-CD 3.34Å; R178-R205 PolarHBondContact O-NH1 2.8Å; R178-R205 VanDerWaalsContact O-NH1 3.15Å; C179-R205 WeakPolarHBondContact O-CB 3.12Å; C179-R205 PolarHBondContact O-N 2.9Å; D181-R205 VanDerWaalsContact CG-NH2 3.31Å; D181-R205 IonicContact OD1-CZ 3.89Å; D181-R205 IonicContact OD1-NE 3.89Å; D181-R205 IonicContact OD1-NH2 3.94Å; D181-R205 PolarHBondContact OD1-NH2 3.17Å; D181-R205 IonicContact OD2-CZ 2.94Å; D181-R205 VanDerWaalsContact OD2-CZ 3.27Å; D181-R205 IonicContact OD2-NE 3.96Å; D181-R205 PolarHBondContact OD2-NE 3.46Å; D181-R205 IonicContact OD2-NH2 3.93Å; D181-R205 PolarHBondContact OD2-NH2 3.48Å
206	G	98.7	Very high	97.7	Very high	30 Å²	30	44 Å²	44	31%	0.309	24%	0.24	S	C	.	.			trans	-104.2	-169.9	163.2	0	0	0	0	0	111.3	S133 R208	S133-G206 WeakPolarHBondContact CB-O 3.35Å; S133-G206 PolarHBondContact OG-N 3.03Å; G206-R208 PolarHBondContact O-N 3.12Å
207	K	98.8	Very high	97.7	Very high	74 Å²	74	38 Å²	38	32%	0.322	22%	0.217	S	C	.	.			trans	-62.1	128.1	169.8	-175.5	-176.9	-68.6	-120.1	0	109.9	W38 F42 E106 Y107 E108 S133	W38-K207 HydrophobicContact CH2-CB 4.31Å; W38-K207 HydrophobicContact CH2-CD 3.68Å; W38-K207 HydrophobicContact CH2-CG 3.85Å; W38-K207 HydrophobicContact CZ2-CD 3.93Å; F42-K207 HydrophobicContact CZ-CD 4.16Å; E106-K207 HydrophobicContact CG-CG 4.48Å; E106-K207 IonicContact OE1-NZ 2.78Å; E106-K207 PolarHBondContact OE1-NZ 3.4Å; Y107-K207 WeakPolarHBondContact O-CA 3.42Å; E108-K207 WeakPolarHBondContact OE1-CE 3.18Å; E108-K207 IonicContact OE1-NZ 3.45Å; E108-K207 PolarHBondContact OE1-NZ 2.82Å; E108-K207 WeakPolarHBondContact OE2-CE 3.42Å; E108-K207 IonicContact OE2-NZ 3.87Å; S133-K207 WeakPolarHBondContact CB-O 3.39Å; S133-K207 PolarHBondContact N-O 2.8Å
208	R	98.7	Very high	97.6	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.6	-179.3	174.7	177.6	172.1	-92.6	-1.7	110.4	Y107 N128 T130 L131 S133 G206	Y107-R208 PolarHBondContact N-O 2.94Å; Y107-R208 PolarHBondContact O-N 3.5Å; N128-R208 PolarHBondContact OD1-NH2 2.88Å; T130-R208 HydrophobicContact CG2-CG 4.09Å; T130-R208 VanDerWaalsContact CG2-NE 3.31Å; T130-R208 PolarHBondContact OG1-NH2 3.07Å; L131-R208 WeakPolarHBondContact O-CA 3.29Å; S133-R208 VanDerWaalsContact O-CD 3.32Å; S133-R208 WeakPolarHBondContact O-CD 3.35Å; S133-R208 VanDerWaalsContact O-CG 3.3Å; S133-R208 WeakPolarHBondContact O-CG 3.39Å; G206-R208 PolarHBondContact O-N 3.12Å
209	V	98.8	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.2	165	170.7	0	0	0	0	108.9	W38 V41 F42 V104 N105 L131 L211	W38-V209 HydrophobicContact CE3-CG2 4.3Å; W38-V209 HydrophobicContact CH2-CG2 4.46Å; W38-V209 HydrophobicContact CZ3-CB 4.29Å; W38-V209 HydrophobicContact CZ3-CG2 3.88Å; V41-V209 HydrophobicContact CG1-CG1 4.12Å; V41-V209 HydrophobicContact CG1-CG2 4.45Å; V41-V209 HydrophobicContact CG2-CG1 4.49Å; F42-V209 HydrophobicContact CE2-CG2 3.78Å; F42-V209 HydrophobicContact CZ-CG2 3.72Å; V104-V209 HydrophobicContact CG1-CG1 3.51Å; N105-V209 CarbonylContact O-C 3.58Å; N105-V209 VanDerWaalsContact O-CA 3.28Å; N105-V209 WeakPolarHBondContact O-CA 3.46Å; L131-V209 HydrophobicContact CB-CB 4.27Å; L131-V209 HydrophobicContact CD1-CB 4.47Å; L131-V209 HydrophobicContact CD1-CG1 4.27Å; L131-V209 PolarHBondContact N-O 3.31Å; L131-V209 PolarHBondContact O-N 2.79Å; V209-L211 HydrophobicContact CG1-CD1 4.05Å
210	S	98.7	Very high	97.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.2	168.4	74	0	0	0	0	111.2	V104 N105 V129	V104-S210 WeakPolarHBondContact CA-O 3.37Å; N105-S210 PolarHBondContact N-O 3.3Å; N105-S210 PolarHBondContact O-N 2.7Å; V129-S210 CarbonylContact O-C 3.49Å; V129-S210 WeakPolarHBondContact O-CA 3.49Å
211	L	98.8	Very high	96.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.7	168.3	-71.7	79	0	0	0	108.1	V41 W78 L79 F82 V104 N128 V129 L131 V209	V41-L211 HydrophobicContact CG2-CD1 4.37Å; W78-L211 HydrophobicContact CH2-CD2 4.41Å; W78-L211 HydrophobicContact CZ3-CD2 4.19Å; L79-L211 HydrophobicContact CD1-CD2 4.01Å; F82-L211 HydrophobicContact CD1-CD2 4.22Å; F82-L211 HydrophobicContact CE1-CD2 4.2Å; V104-L211 HydrophobicContact CG2-CG 4.32Å; N128-L211 WeakPolarHBondContact CA-O 3.33Å; V129-L211 HydrophobicContact CB-CB 4.44Å; V129-L211 PolarHBondContact N-O 3.18Å; V129-L211 PolarHBondContact O-N 2.84Å; L131-L211 HydrophobicContact CD1-CD1 3.45Å; L131-L211 VanDerWaalsContact CD1-CD1 3.45Å; L131-L211 HydrophobicContact CG-CD1 3.92Å; V209-L211 HydrophobicContact CG1-CD1 4.05Å
212	T	98.5	Very high	94.7	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	102.4	179.7	-55.1	0	0	0	0	109.3	V102 L103 V126 I127 N128	V102-T212 VanDerWaalsContact CA-O 3.32Å; V102-T212 WeakPolarHBondContact CA-O 3.39Å; L103-T212 PolarHBondContact N-O 2.83Å; L103-T212 PolarHBondContact O-N 2.91Å; V126-T212 HydrophobicContact CG2-CG2 3.33Å; I127-T212 CarbonylContact O-C 3.58Å; I127-T212 WeakPolarHBondContact O-CA 3.45Å; N128-T212 PolarHBondContact ND2-OG1 2.86Å; N128-T212 VanDerWaalsContact ND2-OG1 3.1Å
213	I	98.5	Very high	93.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.1	-172.2	-59.3	167.9	0	0	0	109.4	F82 M83 F86 P99 V102 I127	F82-I213 HydrophobicContact CD1-CD1 3.96Å; F82-I213 HydrophobicContact CE1-CD1 3.9Å; M83-I213 HydrophobicContact CG-CD1 4.44Å; M83-I213 HydrophobicContact CG-CG2 4.15Å; F86-I213 HydrophobicContact CD2-CD1 3.83Å; F86-I213 HydrophobicContact CE2-CD1 3.41Å; F86-I213 VanDerWaalsContact CE2-CD1 3.41Å; F86-I213 HydrophobicContact CZ-CD1 4.3Å; P99-I213 HydrophobicContact CB-CG2 3.53Å; P99-I213 HydrophobicContact CG-CG2 4Å; V102-I213 HydrophobicContact CG1-CG1 4.01Å; V102-I213 HydrophobicContact CG2-CB 4.41Å; V102-I213 HydrophobicContact CG2-CG1 3.94Å; V102-I213 HydrophobicContact CG2-CG2 4.35Å; I127-I213 HydrophobicContact CB-CB 4.14Å; I127-I213 HydrophobicContact CG2-CB 4.24Å; I127-I213 HydrophobicContact CG2-CD1 4.39Å; I127-I213 PolarHBondContact N-O 3.25Å; I127-I213 PolarHBondContact O-N 2.7Å
214	R	97	Very high	90.9	Very high	6 Å²	6	55.1 Å²	55.1	2%	0.023	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.3	-173.7	-72.5	170.9	-70.8	-163.8	3.5	112.1	P99 N100 H101 L103 D118 Y122 V126	P99-R214 CarbonylContact C-O 3.49Å; P99-R214 VanDerWaalsContact CA-O 3.31Å; P99-R214 WeakPolarHBondContact CA-O 3.42Å; N100-R214 PolarHBondContact N-O 2.81Å; H101-R214 PolarHBondContact N-O 3.11Å; H101-R214 PolarHBondContact O-N 2.88Å; L103-R214 VanDerWaalsContact CG-NH2 3.26Å; D118-R214 IonicContact OD1-NH1 3.91Å; D118-R214 PolarHBondContact OD1-NH1 3Å; D118-R214 IonicContact OD2-CZ 3.78Å; D118-R214 IonicContact OD2-NH1 3.56Å; D118-R214 PolarHBondContact OD2-NH1 3.35Å; Y122-R214 HydrophobicContact CD1-CB 3.75Å; Y122-R214 HydrophobicContact CD1-CG 4.24Å; Y122-R214 HydrophobicContact CE1-CB 4.04Å; V126-R214 HydrophobicContact CB-CG 4.11Å; V126-R214 HydrophobicContact CG2-CG 3.9Å
215	N	96.6	Very high	88.5	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.027	30%	0.299	C	S	.	.			trans	-109.7	140	164.3	174.2	-88.6	0	0	0	110.2	F93 L97 K98 N100 Y122 Y123 P217	F93-N215 HydrophobicContact CD1-CB 4.25Å; F93-N215 HydrophobicContact CE1-CB 4.07Å; L97-N215 VanDerWaalsContact C-ND2 3.35Å; L97-N215 WeakPolarHBondContact O-CB 3.4Å; L97-N215 VanDerWaalsContact O-CG 3.29Å; L97-N215 PolarHBondContact O-ND2 2.85Å; K98-N215 PolarHBondContact O-ND2 3.21Å; N100-N215 WeakPolarHBondContact OD1-CA 3.28Å; Y122-N215 WeakPolarHBondContact CA-O 3.36Å; Y123-N215 PolarHBondContact N-O 2.84Å; N215-P217 VanDerWaalsContact OD1-CD 3.27Å; N215-P217 WeakPolarHBondContact OD1-CD 2.81Å; N215-P217 WeakPolarHBondContact OD1-CG 3.29Å
216	I	95.4	Very high	85.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.353	C	S	.	.			trans	-114.3	108.6	165.3	-63.1	162.2	0	0	0	107	V64 L69 N100 H101 A121 Y122 R218	V64-I216 HydrophobicContact CB-CD1 4.27Å; V64-I216 HydrophobicContact CG1-CD1 3.9Å; V64-I216 HydrophobicContact CG2-CD1 3.49Å; V64-I216 VanDerWaalsContact CG2-CD1 3.49Å; L69-I216 HydrophobicContact CB-CB 3.87Å; L69-I216 HydrophobicContact CB-CD1 3.84Å; L69-I216 HydrophobicContact CB-CG1 4.48Å; L69-I216 HydrophobicContact CB-CG2 3.6Å; L69-I216 HydrophobicContact CD1-CD1 3.94Å; L69-I216 HydrophobicContact CD2-CB 4.47Å; L69-I216 HydrophobicContact CD2-CD1 4.31Å; L69-I216 HydrophobicContact CG-CD1 4.24Å; N100-I216 PolarHBondContact ND2-O 2.98Å; N100-I216 PolarHBondContact OD1-N 2.97Å; H101-I216 HydrophobicContact CB-CD1 3.98Å; A121-I216 HydrophobicContact CB-CG2 4.39Å; A121-I216 WeakPolarHBondContact O-CG2 3.22Å; Y122-I216 HydrophobicContact CD1-CD1 3.99Å; Y122-I216 HydrophobicContact CD1-CG1 3.37Å; Y122-I216 HydrophobicContact CE1-CD1 3.56Å; Y122-I216 HydrophobicContact CE1-CG1 3.51Å; Y122-I216 HydrophobicContact CG-CG1 4.24Å; I216-R218 PolarHBondContact O-N 3.16Å
217	P	95.2	Very high	85.2	Confident	62 Å²	62	65.9 Å²	65.9	40%	0.403	36%	0.356	S	S	.	.	S	Bend	trans	-64.8	-40.7	-172.3	-26.5	34.5	0	0	0	113.7	L97 A121 N215 V219	L97-P217 HydrophobicContact CD1-CG 4.26Å; L97-P217 HydrophobicContact CD2-CB 3.79Å; L97-P217 HydrophobicContact CD2-CG 4.21Å; A121-P217 WeakPolarHBondContact O-CD 3.47Å; N215-P217 VanDerWaalsContact OD1-CD 3.27Å; N215-P217 WeakPolarHBondContact OD1-CD 2.81Å; N215-P217 WeakPolarHBondContact OD1-CG 3.29Å; P217-V219 PolarHBondContact O-N 2.67Å
218	R	94.5	Very high	84.5	Confident	152 Å²	152	65.5 Å²	65.5	57%	0.574	36%	0.357	S	S	*	.			trans	-85.6	109.6	-180	-174.5	176.6	176	175.6	1.3	109.7	K67 A68 L69 I216	K67-R218 WeakPolarHBondContact O-CB 3.36Å; K67-R218 WeakPolarHBondContact O-CD 3.36Å; A68-R218 CarbonylContact C-O 3.59Å; A68-R218 WeakPolarHBondContact CA-O 3.25Å; A68-R218 HydrophobicContact CB-CB 4.2Å; A68-R218 HydrophobicContact CB-CG 3.77Å; A68-R218 WeakPolarHBondContact CB-O 3.48Å; L69-R218 PolarHBondContact N-O 3.08Å; I216-R218 PolarHBondContact O-N 3.16Å
219	V	91.8	Very high	83.7	Confident	56 Å²	56	68.7 Å²	68.7	34%	0.339	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133	179.3	-179.3	0	0	0	0	110.4	L69 Q71 P217	L69-V219 HydrophobicContact CB-CG2 4.5Å; Q71-V219 HydrophobicContact CB-CG1 3.45Å; Q71-V219 VanDerWaalsContact CB-CG1 3.45Å; Q71-V219 HydrophobicContact CG-CG1 4.31Å; P217-V219 PolarHBondContact O-N 2.67Å
220	V	88.7	Confident	82.8	Confident	70 Å²	70	72.8 Å²	72.8	42%	0.424	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.9	169.3	-177.7	0	0	0	0	106.9	A68 L69 I70 Q71	A68-V220 HydrophobicContact CB-CG2 4.01Å; L69-V220 PolarHBondContact O-N 3.46Å; I70-V220 CarbonylContact C-O 3.59Å; I70-V220 WeakPolarHBondContact CA-O 3.37Å; Q71-V220 PolarHBondContact N-O 2.86Å
221	R	77.3	Confident	81.8	Confident	207 Å²	207	77.2 Å²	77.2	78%	0.781	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.5	174.2	-67.6	-176	179.3	173.2	0.6	108.7	L223	R221-L223 PolarHBondContact O-N 2.86Å
222	A	68.8	Low	80.7	Confident	55 Å²	55	82.3 Å²	82.3	46%	0.455	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-55.3	125.8	166.2	0	0	0	0	0	107.9	I70 C224	I70-A222 HydrophobicContact CG2-CB 4.14Å; A222-C224 PolarHBondContact O-N 3.1Å; A222-C224 VanDerWaalsContact O-N 3.09Å
223	L	63.4	Low	79.4	Confident	158 Å²	158	87.4 Å²	87.4	83%	0.827	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-61.1	116.1	174	-70.1	166.5	0	0	0	107.1	R221 N225	R221-L223 PolarHBondContact O-N 2.86Å; L223-N225 PolarHBondContact O-N 3.25Å
224	C	54.1	Low	77.9	Confident	108 Å²	108	94.1 Å²	94.1	73%	0.73	51%	0.514	S	S	*	.			trans	-67.6	115	163.1	-72.3	0	0	0	0	106.5	A222 C226	A222-C224 PolarHBondContact O-N 3.1Å; A222-C224 VanDerWaalsContact O-N 3.09Å; C224-C226 PolarHBondContact O-N 2.95Å
225	N	47.3	Very low	76.3	Confident	162 Å²	162	101.4 Å²	101.4	87%	0.866	56%	0.555	S	S	*	*			trans	-75.2	59.1	169	-71.7	-17.3	0	0	0	109.8	L223	L223-N225 PolarHBondContact O-N 3.25Å
226	C	43	Very low	74.5	Confident	182 Å²	182	110.2 Å²	110.2	100%	1.23	60%	0.603	S	S	*	*			trans	-102.5	0	169.2	-55.2	0	0	0	0	109	C224	C224-C226 PolarHBondContact O-N 2.95Å

Retrieved 226 of 226 residues in 494.5 ms (Link to these results)

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