A0A087YBR8_POEFO Loading...

Phenazine biosynthesis like protein domain containing

AlphaFold DB , UniProt , Accession A0A087YBR8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 287 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	87.3	Confident	96.5	Very high	134 Å²	134	31.5 Å²	31.5	66%	0.66	16%	0.159	S	C	*	.				0	146.3	0	173.5	168.5	71	0	0	108.3	I3 L30 L34 L287	M1-I3 HydrophobicContact CE-CD1 4.35Å; M1-L30 HydrophobicContact CE-CD2 4.11Å; M1-L34 HydrophobicContact CE-CD2 4.39Å; M1-L287 HydrophobicContact CB-CB 4.37Å; M1-L287 HydrophobicContact CE-CD1 3.29Å; M1-L287 PolarHBondContact N-O 3.24Å; M1-L287 PolarHBondContact O-N 3.18Å
2	E	94.1	Very high	96.5	Very high	105 Å²	105	30.3 Å²	30.3	49%	0.491	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.5	176.9	-66	-165.8	144.4	0	0	111.2	F284 I285 R286	E2-F284 HydrophobicContact CB-CB 4.4Å; E2-F284 HydrophobicContact CB-CD1 4.28Å; E2-I285 WeakPolarHBondContact CA-O 3.48Å; E2-R286 HydrophobicContact CG-CG 4.26Å; E2-R286 IonicContact OE1-CZ 3.09Å; E2-R286 IonicContact OE1-NE 2.68Å; E2-R286 PolarHBondContact OE1-NE 3.44Å; E2-R286 IonicContact OE1-NH2 3.39Å; E2-R286 PolarHBondContact OE1-NH2 3.02Å
3	I	96.5	Very high	96.4	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.8	177.3	-67.9	173.4	0	0	0	108.8	M1 V5 C24 L26 L30 I38 F284 I285 L287	M1-I3 HydrophobicContact CE-CD1 4.35Å; I3-V5 PolarHBondContact O-N 3.33Å; I3-C24 HydrophobicContact CG2-CB 3.96Å; I3-L26 HydrophobicContact CB-CD2 4.42Å; I3-L26 HydrophobicContact CD1-CD2 4.19Å; I3-L26 HydrophobicContact CG1-CD2 4.11Å; I3-L26 HydrophobicContact CG2-CD2 3.54Å; I3-L30 HydrophobicContact CD1-CD1 3.84Å; I3-L30 HydrophobicContact CD1-CD2 4.33Å; I3-I38 HydrophobicContact CD1-CD1 3.77Å; I3-F284 CarbonylContact O-C 3.56Å; I3-F284 VanDerWaalsContact O-CA 3.25Å; I3-F284 WeakPolarHBondContact O-CA 3.26Å; I3-I285 HydrophobicContact CB-CB 4.29Å; I3-I285 PolarHBondContact N-O 3.41Å; I3-I285 PolarHBondContact O-N 3.03Å; I3-L287 HydrophobicContact CD1-CD1 3.5Å; I3-L287 HydrophobicContact CD1-CG 4.32Å; I3-L287 HydrophobicContact CG1-CD1 4.27Å
4	P	97.5	Very high	96.4	Very high	35 Å²	35	40.3 Å²	40.3	23%	0.227	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.5	172.9	-18.2	29.9	0	0	0	110.7	F6 C24 P25 F284	P4-F6 HydrophobicContact CB-CE2 4.32Å; P4-C24 WeakPolarHBondContact O-CA 3.32Å; P4-P25 HydrophobicContact CB-CG 4.35Å; P4-F284 HydrophobicContact CB-CD1 4.36Å; P4-F284 HydrophobicContact CB-CE1 4.23Å; P4-F284 HydrophobicContact CG-CD1 4.28Å; P4-F284 HydrophobicContact CG-CE1 4.04Å
5	V	98.1	Very high	96.4	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.1	176.6	63.2	0	0	0	0	110.5	I3 A22 V23 G283 I285	I3-V5 PolarHBondContact O-N 3.33Å; V5-A22 HydrophobicContact CG2-CB 4.23Å; V5-V23 WeakPolarHBondContact CA-O 3.33Å; V5-G283 PolarHBondContact N-O 3.21Å; V5-G283 PolarHBondContact O-N 3.33Å; V5-I285 HydrophobicContact CB-CD1 4.09Å; V5-I285 HydrophobicContact CB-CG1 3.98Å; V5-I285 HydrophobicContact CG1-CD1 4.37Å; V5-I285 HydrophobicContact CG1-CG1 3.77Å; V5-I285 HydrophobicContact CG2-CD1 4.23Å
6	F	98.6	Very high	96.4	Very high	4 Å²	4	48 Å²	48	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.7	173.9	-56.9	-99.3	0	0	0	107.9	P4 L8 A22 V23 P25 V89 Y93 L281 Q282	P4-F6 HydrophobicContact CB-CE2 4.32Å; F6-L8 HydrophobicContact CB-CD1 3.6Å; F6-L8 HydrophobicContact CB-CG 4.46Å; F6-A22 CarbonylContact O-C 3.56Å; F6-A22 WeakPolarHBondContact O-CA 3.47Å; F6-V23 PolarHBondContact N-O 3.37Å; F6-V23 PolarHBondContact O-N 3.23Å; F6-P25 HydrophobicContact CD2-CG 4.39Å; F6-P25 HydrophobicContact CE2-CG 3.86Å; F6-V89 HydrophobicContact CB-CG2 3.78Å; F6-V89 HydrophobicContact CD1-CG2 4.46Å; F6-V89 HydrophobicContact CD2-CG1 3.8Å; F6-V89 HydrophobicContact CD2-CG2 3.99Å; F6-V89 HydrophobicContact CE2-CG1 3.87Å; F6-V89 HydrophobicContact CG-CG1 4.34Å; F6-V89 HydrophobicContact CG-CG2 3.83Å; F6-V89 HydrophobicContact CZ-CG1 4.42Å; F6-Y93 HydrophobicContact CD1-CD1 4.19Å; F6-Y93 AromaticContact CD1-CD2 3.89Å; F6-Y93 HydrophobicContact CD1-CD2 3.89Å; F6-Y93 HydrophobicContact CD1-CE1 4.37Å; F6-Y93 HydrophobicContact CD1-CE2 4.1Å; F6-Y93 AromaticContact CD1-CG 3.94Å; F6-Y93 HydrophobicContact CD1-CG 3.94Å; F6-Y93 AromaticContact CE1-CD1 3.53Å; F6-Y93 HydrophobicContact CE1-CD1 3.53Å; F6-Y93 AromaticContact CE1-CD2 3.82Å; F6-Y93 HydrophobicContact CE1-CD2 3.82Å; F6-Y93 HydrophobicContact CE1-CE1 4.08Å; F6-Y93 HydrophobicContact CE1-CE2 4.35Å; F6-Y93 AromaticContact CE1-CG 3.37Å; F6-Y93 HydrophobicContact CE1-CG 3.37Å; F6-Y93 HydrophobicContact CZ-CD1 4.44Å; F6-Y93 HydrophobicContact CZ-CG 4.09Å; F6-L281 CarbonylContact C-O 3.56Å; F6-L281 WeakPolarHBondContact CA-O 3.34Å; F6-Q282 HydrophobicContact CD1-CB 4.06Å; F6-Q282 HydrophobicContact CD1-CG 3.75Å; F6-Q282 HydrophobicContact CE1-CB 4.29Å; F6-Q282 HydrophobicContact CE1-CG 3.53Å; F6-Q282 HydrophobicContact CZ-CG 4.24Å
7	M	98.2	Very high	96.5	Very high	50 Å²	50	50.1 Å²	50.1	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.7	167.7	-72	-168.9	-95.6	0	0	108.6	A21 A22 M42 L44 V280 L281	M7-A21 WeakPolarHBondContact CA-O 3.22Å; M7-A22 HydrophobicContact CG-CB 4.39Å; M7-M42 HydrophobicContact CE-CE 3.88Å; M7-M42 HydrophobicContact CG-CE 4.05Å; M7-M42 HydrophobicContact SD-CE 3.61Å; M7-L44 HydrophobicContact CG-CD1 4.14Å; M7-L44 HydrophobicContact SD-CD1 3.95Å; M7-V280 PolarHBondContact O-N 3.2Å; M7-L281 HydrophobicContact CB-CB 4.25Å; M7-L281 HydrophobicContact CE-CB 4.14Å; M7-L281 HydrophobicContact CE-CD1 3.77Å; M7-L281 HydrophobicContact CE-CD2 3.58Å; M7-L281 HydrophobicContact CE-CG 4.02Å; M7-L281 PolarHBondContact N-O 2.93Å; M7-L281 PolarHBondContact O-N 3.07Å
8	L	98.3	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.2	-178.5	-50.8	93.5	0	0	0	110.2	F6 P20 A21 V23 A85 A88 V89 V277 T278 T279	F6-L8 HydrophobicContact CB-CD1 3.6Å; F6-L8 HydrophobicContact CB-CG 4.46Å; L8-P20 CarbonylContact O-C 3.58Å; L8-P20 WeakPolarHBondContact O-CA 3.26Å; L8-A21 PolarHBondContact N-O 2.87Å; L8-A21 PolarHBondContact O-N 2.54Å; L8-V23 HydrophobicContact CD1-CB 4.19Å; L8-V23 HydrophobicContact CD1-CG2 3.81Å; L8-A85 HydrophobicContact CB-CB 4.19Å; L8-A85 HydrophobicContact CD1-CB 4.29Å; L8-A88 HydrophobicContact CD2-CB 3.99Å; L8-V89 HydrophobicContact CD1-CG2 3.58Å; L8-V89 HydrophobicContact CD2-CG2 4.17Å; L8-V277 HydrophobicContact CB-CG1 3.69Å; L8-V277 HydrophobicContact CD2-CG1 3.64Å; L8-V277 HydrophobicContact CG-CG1 4.31Å; L8-T278 CarbonylContact C-O 3.22Å; L8-T278 WeakPolarHBondContact CA-O 3.29Å; L8-T279 WeakPolarHBondContact CD2-OG1 3.49Å; L8-T279 HydrophobicContact CG-CG2 4.48Å
9	D	98.1	Very high	96.6	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.9	170.8	-73.2	-27.3	0	0	0	108.8	T12 F16 K17 P20 R257 V277 T278 V280	D9-T12 HydrophobicContact CB-CG2 3.67Å; D9-F16 WeakPolarHBondContact OD2-CA 3.47Å; D9-F16 PolarHBondContact OD2-N 3Å; D9-K17 WeakPolarHBondContact CB-O 3.43Å; D9-K17 VanDerWaalsContact CG-O 3.31Å; D9-P20 WeakPolarHBondContact OD1-CA 3.45Å; D9-P20 WeakPolarHBondContact OD1-CB 3.41Å; D9-R257 IonicContact OD1-CZ 3.02Å; D9-R257 IonicContact OD1-NH2 2.94Å; D9-R257 PolarHBondContact OD1-NH2 2.9Å; D9-R257 IonicContact OD2-NH2 3.56Å; D9-R257 PolarHBondContact OD2-NH2 3.04Å; D9-V277 WeakPolarHBondContact O-CA 3.23Å; D9-T278 PolarHBondContact N-O 2.82Å; D9-T278 PolarHBondContact O-N 2.95Å; D9-V280 HydrophobicContact CB-CG2 4.39Å; D9-V280 WeakPolarHBondContact OD2-CG2 3.46Å
10	A	97.8	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	154.6	178	0	0	0	0	0	112	T12 G18 N19 H81 L84 D276 V277	A10-T12 VanDerWaalsContact C-N 3.3Å; A10-G18 CarbonylContact O-C 3.38Å; A10-G18 WeakPolarHBondContact O-CA 3.4Å; A10-N19 PolarHBondContact N-O 3.44Å; A10-N19 PolarHBondContact O-N 3.33Å; A10-H81 HydrophobicContact CB-CB 3.89Å; A10-H81 WeakPolarHBondContact CB-O 3.14Å; A10-L84 HydrophobicContact CB-CB 4.41Å; A10-L84 HydrophobicContact CB-CD2 4.15Å; A10-D276 CarbonylContact C-O 3.56Å; A10-V277 HydrophobicContact CB-CG2 4.19Å
11	F	97.3	Very high	96.7	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.211	C	C	.	.	S	Bend	trans	63.1	34.1	-173.8	-55.4	-69.5	0	0	0	113.7	H81 L84 M121 V228 G259 E260 L261 I273 D276	F11-H81 HydrophobicContact CD2-CB 3.89Å; F11-H81 HydrophobicContact CE2-CB 3.57Å; F11-L84 HydrophobicContact CD1-CD2 4.12Å; F11-L84 HydrophobicContact CE1-CD2 3.98Å; F11-L84 HydrophobicContact CZ-CD2 4.31Å; F11-M121 HydrophobicContact CE1-CE 4.11Å; F11-M121 HydrophobicContact CZ-CE 3.61Å; F11-V228 HydrophobicContact CB-CB 4.16Å; F11-V228 HydrophobicContact CB-CG1 3.64Å; F11-V228 HydrophobicContact CB-CG2 4.32Å; F11-V228 HydrophobicContact CD2-CB 3.84Å; F11-V228 HydrophobicContact CD2-CG1 3.51Å; F11-V228 HydrophobicContact CE2-CG1 4.25Å; F11-V228 HydrophobicContact CG-CB 4.33Å; F11-V228 HydrophobicContact CG-CG1 3.68Å; F11-G259 WeakPolarHBondContact O-CA 3.28Å; F11-E260 PolarHBondContact O-N 3.03Å; F11-L261 HydrophobicContact CD1-CD2 3.85Å; F11-L261 HydrophobicContact CD1-CG 3.79Å; F11-L261 HydrophobicContact CE1-CD2 3.68Å; F11-L261 HydrophobicContact CE1-CG 4.1Å; F11-L261 HydrophobicContact CE2-CD2 4.4Å; F11-L261 HydrophobicContact CG-CD2 4.32Å; F11-L261 HydrophobicContact CG-CG 4.24Å; F11-L261 HydrophobicContact CZ-CD2 3.95Å; F11-I273 HydrophobicContact CE1-CG2 3.94Å; F11-I273 HydrophobicContact CZ-CG2 4.24Å; F11-D276 WeakPolarHBondContact CA-O 3.32Å; F11-D276 PolarHBondContact N-O 2.84Å
12	T	96.6	Very high	97.2	Very high	16 Å²	16	35.2 Å²	35.2	10%	0.098	18%	0.18	C	C	.	.			trans	-161.5	154.6	174.4	-167.5	0	0	0	0	111.4	D9 A10 L14 K17 D276 V277	D9-T12 HydrophobicContact CB-CG2 3.67Å; A10-T12 VanDerWaalsContact C-N 3.3Å; T12-L14 WeakPolarHBondContact CG2-O 3.4Å; T12-L14 PolarHBondContact OG1-N 3.18Å; T12-L14 VanDerWaalsContact OG1-N 3.11Å; T12-L14 PolarHBondContact OG1-O 3.37Å; T12-K17 HydrophobicContact CG2-CB 4.01Å; T12-K17 WeakPolarHBondContact CG2-O 3.34Å; T12-K17 VanDerWaalsContact OG1-CB 3.29Å; T12-K17 WeakPolarHBondContact OG1-CB 3.46Å; T12-D276 PolarHBondContact N-O 2.9Å; T12-D276 VanDerWaalsContact N-O 3.13Å; T12-D276 CarbonylContact O-C 3.5Å; T12-D276 VanDerWaalsContact O-C 3.22Å; T12-D276 WeakPolarHBondContact O-CB 3.26Å; T12-V277 PolarHBondContact O-N 3.05Å
13	N	94.9	Very high	97.4	Very high	101 Å²	101	30.2 Å²	30.2	54%	0.54	16%	0.156	S	C	.	.	S	Bend	trans	-101.2	-1.5	166.9	60.1	4.9	0	0	0	112.9	D276 T278	N13-D276 HydrophobicContact CB-CB 4.07Å; N13-T278 VanDerWaalsContact CA-OG1 3.3Å; N13-T278 WeakPolarHBondContact CA-OG1 3.4Å; N13-T278 PolarHBondContact O-OG1 3.28Å
14	L	96.4	Very high	97.5	Very high	100 Å²	100	30 Å²	30	52%	0.524	16%	0.155	S	C	.	.	S	Bend	trans	-108.1	134.9	179.9	-64	177.1	0	0	0	110.9	T12 K17	T12-L14 WeakPolarHBondContact CG2-O 3.4Å; T12-L14 PolarHBondContact OG1-N 3.18Å; T12-L14 VanDerWaalsContact OG1-N 3.11Å; T12-L14 PolarHBondContact OG1-O 3.37Å; L14-K17 HydrophobicContact CB-CB 4.29Å; L14-K17 HydrophobicContact CB-CG 4Å; L14-K17 PolarHBondContact O-N 2.9Å
15	P	96.6	Very high	97.5	Very high	60 Å²	60	28.5 Å²	28.5	39%	0.39	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	146.5	168.9	-21.4	32.4	0	0	0	111.3	K17 T278 V280	P15-K17 PolarHBondContact O-N 3.31Å; P15-T278 HydrophobicContact CG-CG2 3.86Å; P15-V280 HydrophobicContact CB-CG2 4.44Å
16	F	96.4	Very high	97.5	Very high	144 Å²	144	28.5 Å²	28.5	63%	0.632	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	12.3	177.1	-35.2	-58	0	0	0	114.8	D9 R257 V280	D9-F16 WeakPolarHBondContact OD2-CA 3.47Å; D9-F16 PolarHBondContact OD2-N 3Å; F16-R257 VanDerWaalsContact C-CZ 3.46Å; F16-R257 VanDerWaalsContact CA-NH2 3.28Å; F16-V280 HydrophobicContact CD1-CG1 4.43Å; F16-V280 HydrophobicContact CE1-CG1 3.75Å
17	K	97.4	Very high	97.1	Very high	84 Å²	84	34.3 Å²	34.3	37%	0.365	18%	0.176	S	C	.	.	S	Bend	trans	-113	-177.4	169.8	-64.9	-66.8	-177.8	-177.5	0	109.4	D9 T12 L14 P15 R257	D9-K17 WeakPolarHBondContact CB-O 3.43Å; D9-K17 VanDerWaalsContact CG-O 3.31Å; T12-K17 HydrophobicContact CG2-CB 4.01Å; T12-K17 WeakPolarHBondContact CG2-O 3.34Å; T12-K17 VanDerWaalsContact OG1-CB 3.29Å; T12-K17 WeakPolarHBondContact OG1-CB 3.46Å; L14-K17 HydrophobicContact CB-CB 4.29Å; L14-K17 HydrophobicContact CB-CG 4Å; L14-K17 PolarHBondContact O-N 2.9Å; P15-K17 PolarHBondContact O-N 3.31Å; K17-R257 WeakPolarHBondContact CD-O 3.25Å; K17-R257 PolarHBondContact NZ-O 2.84Å; K17-R257 PolarHBondContact O-NE 3.4Å; K17-R257 PolarHBondContact O-NH2 2.98Å
18	G	97.6	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	63.5	-154.4	178.2	0	0	0	0	0	113.2	A10 P227 R257 G258	A10-G18 CarbonylContact O-C 3.38Å; A10-G18 WeakPolarHBondContact O-CA 3.4Å; G18-P227 WeakPolarHBondContact O-CB 3.44Å; G18-R257 WeakPolarHBondContact O-CB 3.17Å; G18-R257 WeakPolarHBondContact O-CD 3.48Å; G18-R257 PolarHBondContact O-NE 3.14Å; G18-G258 WeakPolarHBondContact CA-O 3.41Å; G18-G258 PolarHBondContact N-O 3.36Å
19	N	97.6	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.8	-179.9	-157.8	-15.4	0	0	0	111.7	A10 S45 H81 D226 P227 V228	A10-N19 PolarHBondContact N-O 3.44Å; A10-N19 PolarHBondContact O-N 3.33Å; N19-S45 PolarHBondContact OD1-OG 2.86Å; N19-H81 HydrophobicContact CB-CB 3.88Å; N19-H81 PolarHBondContact ND2-CE1 3.23Å; N19-H81 VanDerWaalsContact ND2-CE1 3.27Å; N19-H81 PolarHBondContact ND2-ND1 2.83Å; N19-D226 PolarHBondContact ND2-OD1 3.24Å; N19-P227 HydrophobicContact CB-CB 4.14Å; N19-V228 HydrophobicContact CB-CB 3.96Å; N19-V228 HydrophobicContact CB-CG2 4.28Å; N19-V228 PolarHBondContact ND2-N 3.22Å; N19-V228 PolarHBondContact ND2-O 2.9Å
20	P	97.3	Very high	96.2	Very high	21 Å²	21	45.3 Å²	45.3	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.5	-178.6	29.7	-34.6	0	0	0	111.5	L8 D9 L44	L8-P20 CarbonylContact O-C 3.58Å; L8-P20 WeakPolarHBondContact O-CA 3.26Å; D9-P20 WeakPolarHBondContact OD1-CA 3.45Å; D9-P20 WeakPolarHBondContact OD1-CB 3.41Å; P20-L44 HydrophobicContact CB-CD2 4.2Å; P20-L44 HydrophobicContact CG-CD2 4.34Å
21	A	97.9	Very high	96.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.7	168	0	0	0	0	0	110.9	M7 L8 E46 A82 A85	M7-A21 WeakPolarHBondContact CA-O 3.22Å; L8-A21 PolarHBondContact N-O 2.87Å; L8-A21 PolarHBondContact O-N 2.54Å; A21-E46 WeakPolarHBondContact CA-O 3.46Å; A21-A82 HydrophobicContact CB-CB 3.85Å; A21-A85 HydrophobicContact CB-CB 4.1Å
22	A	98.4	Very high	96.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.9	164	0	0	0	0	0	109	V5 F6 M7 M42 L44 E46 T47 A48	V5-A22 HydrophobicContact CG2-CB 4.23Å; F6-A22 CarbonylContact O-C 3.56Å; F6-A22 WeakPolarHBondContact O-CA 3.47Å; M7-A22 HydrophobicContact CG-CB 4.39Å; A22-M42 HydrophobicContact CB-CB 4.39Å; A22-M42 HydrophobicContact CB-CE 4.05Å; A22-M42 HydrophobicContact CB-CG 4.05Å; A22-L44 HydrophobicContact CB-CD1 3.9Å; A22-E46 PolarHBondContact N-O 3.18Å; A22-T47 HydrophobicContact CB-CG2 3.91Å; A22-T47 CarbonylContact O-C 3.47Å; A22-T47 WeakPolarHBondContact O-CA 3.49Å; A22-A48 PolarHBondContact O-N 2.83Å
23	V	98.8	Very high	96.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124	179.8	-179.7	0	0	0	0	109.4	V5 F6 L8 A48 I50 A85 V89	V5-V23 WeakPolarHBondContact CA-O 3.33Å; F6-V23 PolarHBondContact N-O 3.37Å; F6-V23 PolarHBondContact O-N 3.23Å; L8-V23 HydrophobicContact CD1-CB 4.19Å; L8-V23 HydrophobicContact CD1-CG2 3.81Å; V23-A48 CarbonylContact C-O 3.59Å; V23-A48 WeakPolarHBondContact CA-O 3.3Å; V23-A48 HydrophobicContact CG2-CB 4.27Å; V23-I50 HydrophobicContact CG1-CD1 3.65Å; V23-I50 HydrophobicContact CG1-CG1 4.12Å; V23-A85 HydrophobicContact CG2-CB 3.83Å; V23-V89 HydrophobicContact CB-CG2 3.83Å; V23-V89 HydrophobicContact CG1-CB 3.98Å; V23-V89 HydrophobicContact CG1-CG1 4.28Å; V23-V89 HydrophobicContact CG1-CG2 3.71Å; V23-V89 HydrophobicContact CG2-CG2 4.28Å
24	C	98.6	Very high	96.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	101.5	-179.3	-62.6	0	0	0	0	110.1	I3 P4 L26 A48 F49 I50	I3-C24 HydrophobicContact CG2-CB 3.96Å; P4-C24 WeakPolarHBondContact O-CA 3.32Å; C24-L26 HydrophobicContact CB-CD2 4.35Å; C24-L26 HydrophobicContact CB-CG 4.5Å; C24-L26 PolarHBondContact O-N 3.11Å; C24-A48 PolarHBondContact N-O 2.9Å; C24-F49 HydrophobicContact CB-CD1 3.56Å; C24-F49 HydrophobicContact CB-CE1 3.87Å; C24-F49 WeakPolarHBondContact O-CA 3.48Å; C24-I50 PolarHBondContact O-N 3.14Å
25	P	97.9	Very high	96.4	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	119.9	168.8	29.5	-31.2	0	0	0	110.4	P4 F6 F59 V89 K94	P4-P25 HydrophobicContact CB-CG 4.35Å; F6-P25 HydrophobicContact CD2-CG 4.39Å; F6-P25 HydrophobicContact CE2-CG 3.86Å; P25-F59 HydrophobicContact CB-CE1 4.19Å; P25-F59 HydrophobicContact CB-CE2 4.13Å; P25-F59 HydrophobicContact CB-CZ 3.89Å; P25-V89 HydrophobicContact CG-CG1 4.16Å; P25-K94 VanDerWaalsContact CG-CE 3.5Å
26	L	96.4	Very high	96.4	Very high	9 Å²	9	48 Å²	48	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135	-171.8	-58.8	174.2	0	0	0	111.9	I3 C24 H28 L30 Y35 F49 I50 T51 F59	I3-L26 HydrophobicContact CB-CD2 4.42Å; I3-L26 HydrophobicContact CD1-CD2 4.19Å; I3-L26 HydrophobicContact CG1-CD2 4.11Å; I3-L26 HydrophobicContact CG2-CD2 3.54Å; C24-L26 HydrophobicContact CB-CD2 4.35Å; C24-L26 HydrophobicContact CB-CG 4.5Å; C24-L26 PolarHBondContact O-N 3.11Å; L26-H28 VanDerWaalsContact C-N 3.3Å; L26-H28 WeakPolarHBondContact CB-O 3.32Å; L26-L30 HydrophobicContact CD1-CD1 3.85Å; L26-L30 HydrophobicContact CD1-CG 3.81Å; L26-L30 HydrophobicContact CD2-CD1 4.37Å; L26-Y35 HydrophobicContact CD1-CE1 3.61Å; L26-F49 HydrophobicContact CD1-CB 4.1Å; L26-F49 HydrophobicContact CD1-CD1 3.81Å; L26-F49 HydrophobicContact CD1-CG 4.38Å; L26-F49 HydrophobicContact CG-CD1 4.48Å; L26-I50 PolarHBondContact N-O 3.49Å; L26-T51 HydrophobicContact CB-CG2 3.82Å; L26-T51 HydrophobicContact CD1-CG2 4.26Å; L26-F59 WeakPolarHBondContact O-CZ 3.23Å
27	L	90.3	Very high	96.5	Very high	125 Å²	125	47 Å²	47	65%	0.654	24%	0.237	S	C	*	.	S	Bend	trans	-71.5	-27.9	173.9	-64.1	176.7	0	0	0	112.6	F59	L27-F59 HydrophobicContact CD2-CE2 4.1Å
28	H	88.9	Confident	96.5	Very high	151 Å²	151	43.3 Å²	43.3	70%	0.699	22%	0.221	S	C	*	.	S	Bend	trans	-138.7	153.6	-178.8	-55.1	-62.5	0	0	0	110.2	L26	L26-H28 VanDerWaalsContact C-N 3.3Å; L26-H28 WeakPolarHBondContact CB-O 3.32Å
29	E	92.7	Very high	96.5	Very high	108 Å²	108	43.3 Å²	43.3	51%	0.505	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-65.1	148.2	173.2	-68.6	-176.6	171.4	0	0	111.1	Y35 T51 R66	E29-Y35 WeakPolarHBondContact CA-OH 3.24Å; E29-T51 HydrophobicContact CG-CG2 4.07Å; E29-R66 WeakPolarHBondContact OE1-CD 3.24Å; E29-R66 IonicContact OE1-CZ 3.66Å; E29-R66 IonicContact OE1-NE 3.01Å; E29-R66 IonicContact OE1-NH1 2.8Å; E29-R66 PolarHBondContact OE1-NH1 3.1Å
30	L	95.1	Very high	96.5	Very high	28 Å²	28	45.4 Å²	45.4	15%	0.147	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-97.7	170.1	172.7	-53.4	177.5	0	0	0	109.5	M1 I3 L26 L34 Y35 I38	M1-L30 HydrophobicContact CE-CD2 4.11Å; I3-L30 HydrophobicContact CD1-CD1 3.84Å; I3-L30 HydrophobicContact CD1-CD2 4.33Å; L26-L30 HydrophobicContact CD1-CD1 3.85Å; L26-L30 HydrophobicContact CD1-CG 3.81Å; L26-L30 HydrophobicContact CD2-CD1 4.37Å; L30-L34 HydrophobicContact CB-CB 4.31Å; L30-L34 HydrophobicContact CB-CD2 4.16Å; L30-L34 HydrophobicContact CB-CG 4.41Å; L30-L34 HydrophobicContact CD1-CD2 4.12Å; L30-L34 HydrophobicContact CD1-CG 4.15Å; L30-L34 HydrophobicContact CD2-CD2 4.01Å; L30-L34 HydrophobicContact CG-CD2 4.31Å; L30-Y35 HydrophobicContact CB-CD1 4.13Å; L30-Y35 HydrophobicContact CB-CD2 4.12Å; L30-Y35 HydrophobicContact CB-CE1 3.85Å; L30-Y35 HydrophobicContact CB-CE2 3.82Å; L30-Y35 HydrophobicContact CB-CG 4.27Å; L30-Y35 HydrophobicContact CD1-CD1 3.96Å; L30-Y35 HydrophobicContact CD1-CE1 3.84Å; L30-Y35 HydrophobicContact CG-CD1 4.37Å; L30-Y35 HydrophobicContact CG-CE1 3.89Å; L30-Y35 PolarHBondContact N-OH 3.11Å; L30-Y35 WeakPolarHBondContact O-CE2 3.48Å; L30-I38 HydrophobicContact CD1-CD1 3.82Å
31	S	96.6	Very high	96.5	Very high	69 Å²	69	52.3 Å²	52.3	48%	0.483	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-68.8	150.6	164.8	62	0	0	0	0	110.7	D33 L34 Y35	S31-D33 PolarHBondContact O-N 3.19Å; S31-L34 PolarHBondContact O-N 2.85Å; S31-L34 WeakPolarHBondContact OG-CB 3.23Å; S31-L34 PolarHBondContact OG-N 3.09Å; S31-Y35 WeakPolarHBondContact O-CD2 3.4Å; S31-Y35 PolarHBondContact O-N 3.23Å
32	D	96.6	Very high	96.3	Very high	92 Å²	92	54.1 Å²	54.1	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-57	-37.1	177	-73.8	-13.4	0	0	0	112.8	L34 Y35 Q36 R68	D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 2.86Å; D32-Y35 PolarHBondContact O-N 2.99Å; D32-Q36 PolarHBondContact O-N 2.87Å; D32-R68 IonicContact OD1-CZ 3.68Å; D32-R68 VanDerWaalsContact OD1-CZ 3.28Å; D32-R68 IonicContact OD1-NH1 3.16Å; D32-R68 PolarHBondContact OD1-NH1 2.96Å; D32-R68 IonicContact OD1-NH2 3.97Å; D32-R68 PolarHBondContact OD1-NH2 2.86Å; D32-R68 IonicContact OD2-NH2 2.71Å
33	D	97.4	Very high	96.1	Very high	93 Å²	93	59.9 Å²	59.9	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-41.1	173.8	174.4	71.4	0	0	0	112.1	S31 Q36 K37	S31-D33 PolarHBondContact O-N 3.19Å; D33-Q36 PolarHBondContact O-N 3.28Å; D33-K37 WeakPolarHBondContact O-CB 3.47Å; D33-K37 WeakPolarHBondContact O-CG 3.22Å; D33-K37 PolarHBondContact O-N 2.9Å; D33-K37 VanDerWaalsContact OD1-CE 3.29Å; D33-K37 WeakPolarHBondContact OD1-CE 3.17Å; D33-K37 IonicContact OD1-NZ 2.78Å; D33-K37 PolarHBondContact OD1-NZ 3.41Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.41Å; D33-K37 IonicContact OD2-NZ 3.59Å; D33-K37 PolarHBondContact OD2-NZ 2.9Å
34	L	97.6	Very high	95.7	Very high	37 Å²	37	61.8 Å²	61.8	19%	0.194	32%	0.319	C	S	.	.	H	α-helix	trans	-73.3	-38.3	-179.6	-175.5	57.8	0	0	0	112	M1 L30 S31 D32 Q36 K37 I38 L287	M1-L34 HydrophobicContact CE-CD2 4.39Å; L30-L34 HydrophobicContact CB-CB 4.31Å; L30-L34 HydrophobicContact CB-CD2 4.16Å; L30-L34 HydrophobicContact CB-CG 4.41Å; L30-L34 HydrophobicContact CD1-CD2 4.12Å; L30-L34 HydrophobicContact CD1-CG 4.15Å; L30-L34 HydrophobicContact CD2-CD2 4.01Å; L30-L34 HydrophobicContact CG-CD2 4.31Å; S31-L34 PolarHBondContact O-N 2.85Å; S31-L34 WeakPolarHBondContact OG-CB 3.23Å; S31-L34 PolarHBondContact OG-N 3.09Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 2.86Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.44Å; L34-K37 PolarHBondContact O-N 3.14Å; L34-I38 HydrophobicContact CD1-CD1 4.15Å; L34-I38 HydrophobicContact CD1-CG1 4.25Å; L34-I38 HydrophobicContact CG-CD1 4.03Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.21Å; L34-I38 PolarHBondContact O-N 2.93Å; L34-L287 HydrophobicContact CD1-CD1 4.11Å; L34-L287 HydrophobicContact CD1-CD2 3.86Å; L34-L287 HydrophobicContact CD2-CD1 3.75Å; L34-L287 HydrophobicContact CG-CD1 4.38Å
35	Y	97.9	Very high	95.2	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-55.6	-48.8	170.7	-75.1	-56.5	0	0	0	111.3	L26 E29 L30 S31 D32 I38 A39 F49 R68 F70	L26-Y35 HydrophobicContact CD1-CE1 3.61Å; E29-Y35 WeakPolarHBondContact CA-OH 3.24Å; L30-Y35 HydrophobicContact CB-CD1 4.13Å; L30-Y35 HydrophobicContact CB-CD2 4.12Å; L30-Y35 HydrophobicContact CB-CE1 3.85Å; L30-Y35 HydrophobicContact CB-CE2 3.82Å; L30-Y35 HydrophobicContact CB-CG 4.27Å; L30-Y35 HydrophobicContact CD1-CD1 3.96Å; L30-Y35 HydrophobicContact CD1-CE1 3.84Å; L30-Y35 HydrophobicContact CG-CD1 4.37Å; L30-Y35 HydrophobicContact CG-CE1 3.89Å; L30-Y35 PolarHBondContact N-OH 3.11Å; L30-Y35 WeakPolarHBondContact O-CE2 3.48Å; S31-Y35 WeakPolarHBondContact O-CD2 3.4Å; S31-Y35 PolarHBondContact O-N 3.23Å; D32-Y35 PolarHBondContact O-N 2.99Å; Y35-I38 PolarHBondContact O-N 3.39Å; Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 3.47Å; Y35-F49 HydrophobicContact CD1-CB 4.06Å; Y35-F49 AromaticContact CD1-CD1 3.56Å; Y35-F49 HydrophobicContact CD1-CD1 3.56Å; Y35-F49 AromaticContact CD1-CD2 3.44Å; Y35-F49 HydrophobicContact CD1-CD2 3.44Å; Y35-F49 VanDerWaalsContact CD1-CD2 3.44Å; Y35-F49 AromaticContact CD1-CE1 3.75Å; Y35-F49 HydrophobicContact CD1-CE1 3.75Å; Y35-F49 AromaticContact CD1-CE2 3.63Å; Y35-F49 HydrophobicContact CD1-CE2 3.63Å; Y35-F49 AromaticContact CD1-CG 3.39Å; Y35-F49 HydrophobicContact CD1-CG 3.39Å; Y35-F49 AromaticContact CD1-CZ 3.78Å; Y35-F49 HydrophobicContact CD1-CZ 3.78Å; Y35-F49 HydrophobicContact CE1-CB 3.6Å; Y35-F49 AromaticContact CE1-CD1 3.6Å; Y35-F49 HydrophobicContact CE1-CD1 3.6Å; Y35-F49 AromaticContact CE1-CD2 3.92Å; Y35-F49 HydrophobicContact CE1-CD2 3.92Å; Y35-F49 HydrophobicContact CE1-CE1 4.22Å; Y35-F49 HydrophobicContact CE1-CE2 4.49Å; Y35-F49 AromaticContact CE1-CG 3.42Å; Y35-F49 HydrophobicContact CE1-CG 3.42Å; Y35-F49 VanDerWaalsContact CE1-CG 3.42Å; Y35-F49 HydrophobicContact CG-CD2 4.36Å; Y35-F49 HydrophobicContact CG-CE2 4.37Å; Y35-R68 VanDerWaalsContact CE2-NH1 3.25Å; Y35-F70 VanDerWaalsContact CB-CZ 3.42Å; Y35-F70 HydrophobicContact CD1-CE2 4.32Å; Y35-F70 HydrophobicContact CD2-CE2 4.34Å; Y35-F70 HydrophobicContact CD2-CZ 4.12Å; Y35-F70 AromaticContact CG-CE2 3.87Å; Y35-F70 HydrophobicContact CG-CE2 3.87Å; Y35-F70 AromaticContact CG-CZ 3.9Å; Y35-F70 HydrophobicContact CG-CZ 3.9Å
36	Q	98.1	Very high	95	Very high	43 Å²	43	63.1 Å²	63.1	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-41.3	-178.8	-170	59.7	68	0	0	112.3	D32 D33 L34 A39 A40 F70 T71 P72	D32-Q36 PolarHBondContact O-N 2.87Å; D33-Q36 PolarHBondContact O-N 3.28Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.44Å; Q36-A39 PolarHBondContact O-N 3.33Å; Q36-A40 WeakPolarHBondContact O-CB 3.43Å; Q36-A40 PolarHBondContact O-N 2.6Å; Q36-F70 HydrophobicContact CB-CD1 4.48Å; Q36-T71 PolarHBondContact NE2-O 2.79Å; Q36-P72 PolarHBondContact NE2-O 2.78Å
37	K	98	Very high	95.1	Very high	121 Å²	121	62.7 Å²	62.7	53%	0.526	33%	0.325	S	S	.	.	H	α-helix	trans	-62.1	-44.2	176.6	-79.8	172.7	177.2	164.4	0	112.4	D33 L34 A40 E41	D33-K37 WeakPolarHBondContact O-CB 3.47Å; D33-K37 WeakPolarHBondContact O-CG 3.22Å; D33-K37 PolarHBondContact O-N 2.9Å; D33-K37 VanDerWaalsContact OD1-CE 3.29Å; D33-K37 WeakPolarHBondContact OD1-CE 3.17Å; D33-K37 IonicContact OD1-NZ 2.78Å; D33-K37 PolarHBondContact OD1-NZ 3.41Å; D33-K37 VanDerWaalsContact OD2-CE 3.27Å; D33-K37 WeakPolarHBondContact OD2-CE 3.41Å; D33-K37 IonicContact OD2-NZ 3.59Å; D33-K37 PolarHBondContact OD2-NZ 2.9Å; L34-K37 PolarHBondContact O-N 3.14Å; K37-A40 PolarHBondContact O-N 3.11Å; K37-E41 WeakPolarHBondContact O-CB 3.48Å; K37-E41 PolarHBondContact O-N 3.39Å
38	I	97.9	Very high	95.5	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.036	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-46.9	176	-69.6	166.6	0	0	0	109.9	I3 L30 L34 Y35 A40 E41 M42 T47 F49 I285 L287	I3-I38 HydrophobicContact CD1-CD1 3.77Å; L30-I38 HydrophobicContact CD1-CD1 3.82Å; L34-I38 HydrophobicContact CD1-CD1 4.15Å; L34-I38 HydrophobicContact CD1-CG1 4.25Å; L34-I38 HydrophobicContact CG-CD1 4.03Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.21Å; L34-I38 PolarHBondContact O-N 2.93Å; Y35-I38 PolarHBondContact O-N 3.39Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 2.93Å; I38-E41 PolarHBondContact O-N 3.39Å; I38-M42 HydrophobicContact CG2-CG 4.32Å; I38-M42 WeakPolarHBondContact O-CG 3.43Å; I38-M42 PolarHBondContact O-N 2.99Å; I38-T47 HydrophobicContact CG2-CG2 4.32Å; I38-F49 HydrophobicContact CB-CE1 4.38Å; I38-F49 HydrophobicContact CB-CZ 4.02Å; I38-F49 HydrophobicContact CD1-CE1 4.25Å; I38-F49 HydrophobicContact CG2-CE1 4Å; I38-F49 HydrophobicContact CG2-CZ 3.8Å; I38-I285 HydrophobicContact CG2-CD1 3.6Å; I38-L287 HydrophobicContact CG1-CD2 4.5Å
39	A	97.1	Very high	96	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-38.5	179.8	0	0	0	0	0	112.8	Y35 Q36 N43 F70	Y35-A39 WeakPolarHBondContact O-CB 3.44Å; Y35-A39 PolarHBondContact O-N 3.47Å; Q36-A39 PolarHBondContact O-N 3.33Å; A39-N43 PolarHBondContact O-N 2.92Å; A39-F70 HydrophobicContact CB-CB 3.43Å; A39-F70 VanDerWaalsContact CB-CB 3.43Å; A39-F70 HydrophobicContact CB-CG 4.49Å
40	A	96.3	Very high	96.3	Very high	44 Å²	44	44.5 Å²	44.5	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-64.3	-43.2	174.2	0	0	0	0	0	112.3	Q36 K37 I38 N43	Q36-A40 WeakPolarHBondContact O-CB 3.43Å; Q36-A40 PolarHBondContact O-N 2.6Å; K37-A40 PolarHBondContact O-N 3.11Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 2.93Å; A40-N43 PolarHBondContact O-N 3.36Å
41	E	97.3	Very high	96.4	Very high	165 Å²	165	43.3 Å²	43.3	77%	0.771	23%	0.231	S	C	*	.	H	α-helix	trans	-65	-41	177.5	-173.2	66.4	-163.1	0	0	111.9	K37 I38 N43	K37-E41 WeakPolarHBondContact O-CB 3.48Å; K37-E41 PolarHBondContact O-N 3.39Å; I38-E41 PolarHBondContact O-N 3.39Å; E41-N43 VanDerWaalsContact C-N 3.27Å; E41-N43 PolarHBondContact O-N 3.44Å
42	M	95.4	Very high	96.4	Very high	38 Å²	38	41.6 Å²	41.6	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-31.1	177.8	-68.8	-49.1	-54.1	0	0	112.5	M7 A22 I38 L44 I285	M7-M42 HydrophobicContact CE-CE 3.88Å; M7-M42 HydrophobicContact CG-CE 4.05Å; M7-M42 HydrophobicContact SD-CE 3.61Å; A22-M42 HydrophobicContact CB-CB 4.39Å; A22-M42 HydrophobicContact CB-CE 4.05Å; A22-M42 HydrophobicContact CB-CG 4.05Å; I38-M42 HydrophobicContact CG2-CG 4.32Å; I38-M42 WeakPolarHBondContact O-CG 3.43Å; I38-M42 PolarHBondContact O-N 2.99Å; M42-L44 PolarHBondContact O-N 2.89Å; M42-L44 VanDerWaalsContact O-N 3.1Å; M42-I285 HydrophobicContact SD-CD1 4.17Å
43	N	92.6	Very high	96.2	Very high	122 Å²	122	39.3 Å²	39.3	65%	0.652	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	38.6	176.1	-165.2	39.4	0	0	0	114.2	A39 A40 E41	A39-N43 PolarHBondContact O-N 2.92Å; A40-N43 PolarHBondContact O-N 3.36Å; E41-N43 VanDerWaalsContact C-N 3.27Å; E41-N43 PolarHBondContact O-N 3.44Å
44	L	91.3	Very high	95.8	Very high	39 Å²	39	38.5 Å²	38.5	20%	0.204	20%	0.199	C	C	.	.	S	Bend	trans	-99.3	175.7	171.7	-63.3	-179.3	0	0	0	110.3	M7 P20 A22 M42 E46 P72	M7-L44 HydrophobicContact CG-CD1 4.14Å; M7-L44 HydrophobicContact SD-CD1 3.95Å; P20-L44 HydrophobicContact CB-CD2 4.2Å; P20-L44 HydrophobicContact CG-CD2 4.34Å; A22-L44 HydrophobicContact CB-CD1 3.9Å; M42-L44 PolarHBondContact O-N 2.89Å; M42-L44 VanDerWaalsContact O-N 3.1Å; L44-E46 VanDerWaalsContact C-N 3.28Å; L44-E46 PolarHBondContact O-N 3.26Å; L44-P72 WeakPolarHBondContact O-CD 3.32Å; L44-P72 WeakPolarHBondContact O-CG 3.36Å
45	S	87.6	Confident	95.2	Very high	18 Å²	18	43 Å²	43	13%	0.126	23%	0.231	C	C	.	.	S	Bend	trans	-50.7	-53.4	172.2	-48.2	0	0	0	0	109.8	N19	N19-S45 PolarHBondContact OD1-OG 2.86Å
46	E	94.9	Very high	94.8	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.065	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	146.2	176.2	-76.9	83.8	170.9	0	0	112.7	A21 A22 L44 W69 F70 T71 V76 C79 H81 A82	A21-E46 WeakPolarHBondContact CA-O 3.46Å; A22-E46 PolarHBondContact N-O 3.18Å; L44-E46 VanDerWaalsContact C-N 3.28Å; L44-E46 PolarHBondContact O-N 3.26Å; E46-W69 HydrophobicContact CG-CB 4.46Å; E46-F70 CarbonylContact C-O 2.86Å; E46-F70 WeakPolarHBondContact CA-O 3.4Å; E46-T71 HydrophobicContact CG-CG2 4.27Å; E46-V76 HydrophobicContact CG-CG2 4.34Å; E46-C79 HydrophobicContact CG-CB 4.27Å; E46-H81 IonicContact OE2-CE1 3.09Å; E46-H81 PolarHBondContact OE2-CE1 3.21Å; E46-H81 IonicContact OE2-NE2 3.3Å; E46-H81 PolarHBondContact OE2-NE2 3.2Å; E46-A82 HydrophobicContact CB-CB 4.13Å
47	T	98.1	Very high	94.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.4	161.5	-57.7	0	0	0	0	109.3	A22 I38 F49 W69 F70	A22-T47 HydrophobicContact CB-CG2 3.91Å; A22-T47 CarbonylContact O-C 3.47Å; A22-T47 WeakPolarHBondContact O-CA 3.49Å; I38-T47 HydrophobicContact CG2-CG2 4.32Å; T47-F49 HydrophobicContact CG2-CD2 4.45Å; T47-F49 HydrophobicContact CG2-CE1 4.05Å; T47-F49 HydrophobicContact CG2-CE2 3.7Å; T47-F49 HydrophobicContact CG2-CZ 3.47Å; T47-F49 VanDerWaalsContact CG2-CZ 3.47Å; T47-W69 WeakPolarHBondContact O-CA 3.46Å; T47-F70 PolarHBondContact N-O 2.86Å; T47-F70 PolarHBondContact O-N 3.19Å
48	A	98.5	Very high	94.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.6	179.2	0	0	0	0	0	111.4	A22 V23 C24 L67 R68 A82 S86	A22-A48 PolarHBondContact O-N 2.83Å; V23-A48 CarbonylContact C-O 3.59Å; V23-A48 WeakPolarHBondContact CA-O 3.3Å; V23-A48 HydrophobicContact CG2-CB 4.27Å; C24-A48 PolarHBondContact N-O 2.9Å; A48-L67 HydrophobicContact CB-CD1 4.03Å; A48-R68 CarbonylContact C-O 3.5Å; A48-R68 WeakPolarHBondContact CA-O 3.41Å; A48-A82 HydrophobicContact CB-CB 4.2Å; A48-S86 WeakPolarHBondContact CB-OG 3.24Å
49	F	98.6	Very high	94.4	Very high	1 Å²	1	47 Å²	47	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.5	177.7	-59.3	-86.3	0	0	0	109.8	C24 L26 Y35 I38 T47 L67 R68 F70	C24-F49 HydrophobicContact CB-CD1 3.56Å; C24-F49 HydrophobicContact CB-CE1 3.87Å; C24-F49 WeakPolarHBondContact O-CA 3.48Å; L26-F49 HydrophobicContact CD1-CB 4.1Å; L26-F49 HydrophobicContact CD1-CD1 3.81Å; L26-F49 HydrophobicContact CD1-CG 4.38Å; L26-F49 HydrophobicContact CG-CD1 4.48Å; Y35-F49 HydrophobicContact CD1-CB 4.06Å; Y35-F49 AromaticContact CD1-CD1 3.56Å; Y35-F49 HydrophobicContact CD1-CD1 3.56Å; Y35-F49 AromaticContact CD1-CD2 3.44Å; Y35-F49 HydrophobicContact CD1-CD2 3.44Å; Y35-F49 VanDerWaalsContact CD1-CD2 3.44Å; Y35-F49 AromaticContact CD1-CE1 3.75Å; Y35-F49 HydrophobicContact CD1-CE1 3.75Å; Y35-F49 AromaticContact CD1-CE2 3.63Å; Y35-F49 HydrophobicContact CD1-CE2 3.63Å; Y35-F49 AromaticContact CD1-CG 3.39Å; Y35-F49 HydrophobicContact CD1-CG 3.39Å; Y35-F49 AromaticContact CD1-CZ 3.78Å; Y35-F49 HydrophobicContact CD1-CZ 3.78Å; Y35-F49 HydrophobicContact CE1-CB 3.6Å; Y35-F49 AromaticContact CE1-CD1 3.6Å; Y35-F49 HydrophobicContact CE1-CD1 3.6Å; Y35-F49 AromaticContact CE1-CD2 3.92Å; Y35-F49 HydrophobicContact CE1-CD2 3.92Å; Y35-F49 HydrophobicContact CE1-CE1 4.22Å; Y35-F49 HydrophobicContact CE1-CE2 4.49Å; Y35-F49 AromaticContact CE1-CG 3.42Å; Y35-F49 HydrophobicContact CE1-CG 3.42Å; Y35-F49 VanDerWaalsContact CE1-CG 3.42Å; Y35-F49 HydrophobicContact CG-CD2 4.36Å; Y35-F49 HydrophobicContact CG-CE2 4.37Å; I38-F49 HydrophobicContact CB-CE1 4.38Å; I38-F49 HydrophobicContact CB-CZ 4.02Å; I38-F49 HydrophobicContact CD1-CE1 4.25Å; I38-F49 HydrophobicContact CG2-CE1 4Å; I38-F49 HydrophobicContact CG2-CZ 3.8Å; T47-F49 HydrophobicContact CG2-CD2 4.45Å; T47-F49 HydrophobicContact CG2-CE1 4.05Å; T47-F49 HydrophobicContact CG2-CE2 3.7Å; T47-F49 HydrophobicContact CG2-CZ 3.47Å; T47-F49 VanDerWaalsContact CG2-CZ 3.47Å; F49-L67 WeakPolarHBondContact O-CA 3.5Å; F49-R68 PolarHBondContact N-O 3.34Å; F49-R68 PolarHBondContact O-N 3.21Å; F49-R68 VanDerWaalsContact O-N 3.14Å; F49-F70 AromaticContact CD2-CD2 3.74Å; F49-F70 HydrophobicContact CD2-CD2 3.74Å; F49-F70 HydrophobicContact CD2-CE2 4.11Å; F49-F70 HydrophobicContact CE2-CB 4.42Å; F49-F70 AromaticContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CE2 4.33Å; F49-F70 HydrophobicContact CE2-CG 4.3Å
50	I	98.5	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129	179	-46.9	170.8	0	0	0	108.2	V23 C24 L26 F59 F65 R66 L67 L90 F103	V23-I50 HydrophobicContact CG1-CD1 3.65Å; V23-I50 HydrophobicContact CG1-CG1 4.12Å; C24-I50 PolarHBondContact O-N 3.14Å; L26-I50 PolarHBondContact N-O 3.49Å; I50-F59 HydrophobicContact CB-CE1 4.45Å; I50-F59 HydrophobicContact CG2-CE1 3.99Å; I50-F65 HydrophobicContact CG2-CB 3.78Å; I50-F65 HydrophobicContact CG2-CD1 4.18Å; I50-F65 HydrophobicContact CG2-CG 4.09Å; I50-R66 WeakPolarHBondContact CA-O 3.31Å; I50-L67 HydrophobicContact CG1-CD1 4.06Å; I50-L90 HydrophobicContact CD1-CD2 4.32Å; I50-L90 HydrophobicContact CD1-CG 4.13Å; I50-L90 HydrophobicContact CG2-CD2 4.4Å; I50-F103 HydrophobicContact CG2-CE1 4.19Å
51	T	97.6	Very high	94.4	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.025	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.5	174.6	44.5	0	0	0	0	111.1	L26 E29 R66	L26-T51 HydrophobicContact CB-CG2 3.82Å; L26-T51 HydrophobicContact CD1-CG2 4.26Å; E29-T51 HydrophobicContact CG-CG2 4.07Å; T51-R66 PolarHBondContact N-O 3.44Å; T51-R66 PolarHBondContact O-N 3.33Å; T51-R66 WeakPolarHBondContact OG1-CB 3.46Å
52	L	96.4	Very high	94.3	Very high	33 Å²	33	43 Å²	43	17%	0.173	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.4	173.8	-62.9	168.4	0	0	0	109.6	D57 F59 F65	L52-D57 WeakPolarHBondContact CD1-O 3.41Å; L52-D57 HydrophobicContact CD2-CB 4.28Å; L52-F59 HydrophobicContact CD2-CD1 4.01Å; L52-F59 HydrophobicContact CD2-CE1 4.1Å; L52-F59 HydrophobicContact CD2-CG 4.39Å; L52-F59 HydrophobicContact CG-CE1 4.22Å; L52-F59 HydrophobicContact CG-CZ 4.27Å; L52-F65 HydrophobicContact CD2-CD1 3.98Å; L52-F65 HydrophobicContact CD2-CE1 3.67Å
53	I	93.3	Very high	94.3	Very high	43 Å²	43	44.5 Å²	44.5	22%	0.221	26%	0.262	C	S	.	.	S	Bend	trans	-81.9	-50.9	174.4	-64	172.9	0	0	0	109.6	R64 R66 E104	I53-R64 HydrophobicContact CD1-CB 3.99Å; I53-R66 HydrophobicContact CG1-CB 4.18Å; I53-E104 HydrophobicContact CD1-CB 3.94Å
54	N	88.5	Confident	94.5	Very high	77 Å²	77	43 Å²	43	41%	0.412	25%	0.247	S	C	.	.	S	Bend	trans	-95.1	129	176.5	-53.7	-59	0	0	0	109.7	T56 D57	N54-T56 PolarHBondContact O-N 3.5Å; N54-T56 VanDerWaalsContact O-N 3.07Å; N54-D57 HydrophobicContact CB-CB 4.35Å; N54-D57 WeakPolarHBondContact CB-OD2 3.31Å; N54-D57 PolarHBondContact ND2-OD2 2.8Å; N54-D57 WeakPolarHBondContact O-CB 3.41Å; N54-D57 PolarHBondContact O-N 3.46Å
55	P	86	Confident	94.8	Very high	132 Å²	132	41.2 Å²	41.2	86%	0.857	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.1	178.8	-26	34.8	0	0	0	114.7
56	T	89.5	Confident	95.3	Very high	128 Å²	128	43.4 Å²	43.4	79%	0.785	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.2	177.9	55.1	0	0	0	0	113.5	N54	N54-T56 PolarHBondContact O-N 3.5Å; N54-T56 VanDerWaalsContact O-N 3.07Å
57	D	93.1	Very high	95.5	Very high	39 Å²	39	42.8 Å²	42.8	21%	0.209	24%	0.24	C	C	.	.			trans	-77.1	162.7	177.2	-72.4	-22	0	0	0	110.8	L52 N54	L52-D57 WeakPolarHBondContact CD1-O 3.41Å; L52-D57 HydrophobicContact CD2-CB 4.28Å; N54-D57 HydrophobicContact CB-CB 4.35Å; N54-D57 WeakPolarHBondContact CB-OD2 3.31Å; N54-D57 PolarHBondContact ND2-OD2 2.8Å; N54-D57 WeakPolarHBondContact O-CB 3.41Å; N54-D57 PolarHBondContact O-N 3.46Å
58	T	95.6	Very high	95.5	Very high	67 Å²	67	44.3 Å²	44.3	41%	0.411	25%	0.246	S	C	.	.			trans	-124.5	162.4	171.2	71.9	0	0	0	0	109.5	T60 S61 G62	T58-T60 PolarHBondContact O-N 3.11Å; T58-T60 VanDerWaalsContact O-N 3.14Å; T58-T60 PolarHBondContact OG1-N 2.86Å; T58-S61 PolarHBondContact O-N 2.73Å; T58-S61 PolarHBondContact OG1-N 2.88Å; T58-S61 PolarHBondContact OG1-OG 2.87Å; T58-G62 WeakPolarHBondContact O-CA 3.47Å; T58-G62 PolarHBondContact O-N 2.87Å
59	F	96.9	Very high	95.4	Very high	21 Å²	21	44.4 Å²	44.4	9%	0.092	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.6	172.4	-67.9	-62.7	0	0	0	113.8	P25 L26 L27 I50 L52 F65 L90 K94 N96	P25-F59 HydrophobicContact CB-CE1 4.19Å; P25-F59 HydrophobicContact CB-CE2 4.13Å; P25-F59 HydrophobicContact CB-CZ 3.89Å; L26-F59 WeakPolarHBondContact O-CZ 3.23Å; L27-F59 HydrophobicContact CD2-CE2 4.1Å; I50-F59 HydrophobicContact CB-CE1 4.45Å; I50-F59 HydrophobicContact CG2-CE1 3.99Å; L52-F59 HydrophobicContact CD2-CD1 4.01Å; L52-F59 HydrophobicContact CD2-CE1 4.1Å; L52-F59 HydrophobicContact CD2-CG 4.39Å; L52-F59 HydrophobicContact CG-CE1 4.22Å; L52-F59 HydrophobicContact CG-CZ 4.27Å; F59-F65 HydrophobicContact CD1-CD1 4.01Å; F59-F65 AromaticContact CD1-CE1 3.7Å; F59-F65 HydrophobicContact CD1-CE1 3.7Å; F59-F65 HydrophobicContact CE1-CD1 4.22Å; F59-F65 HydrophobicContact CE1-CE1 4.34Å; F59-L90 HydrophobicContact CB-CD2 4.18Å; F59-L90 HydrophobicContact CD1-CD2 3.66Å; F59-L90 HydrophobicContact CE1-CD2 4.49Å; F59-L90 HydrophobicContact CG-CD2 4.32Å; F59-K94 HydrophobicContact CB-CB 3.66Å; F59-K94 HydrophobicContact CB-CD 4.15Å; F59-K94 HydrophobicContact CB-CG 3.73Å; F59-K94 HydrophobicContact CG-CG 4.31Å; F59-N96 WeakPolarHBondContact O-CB 3.39Å; F59-N96 PolarHBondContact O-ND2 3.27Å
60	T	97	Very high	95.3	Very high	63 Å²	63	44.6 Å²	44.6	39%	0.387	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-37.5	-179.7	-55.9	0	0	0	0	112.4	T58 K94 N95 N96 V97	T58-T60 PolarHBondContact O-N 3.11Å; T58-T60 VanDerWaalsContact O-N 3.14Å; T58-T60 PolarHBondContact OG1-N 2.86Å; T60-K94 WeakPolarHBondContact CA-O 3.38Å; T60-K94 WeakPolarHBondContact CB-O 3.25Å; T60-K94 PolarHBondContact OG1-O 3.33Å; T60-N95 WeakPolarHBondContact CG2-O 3.29Å; T60-N96 VanDerWaalsContact O-CA 3.27Å; T60-N96 WeakPolarHBondContact O-CA 3.49Å; T60-V97 HydrophobicContact CG2-CG1 4.43Å; T60-V97 PolarHBondContact O-N 3.14Å
61	S	95.3	Very high	95.1	Very high	63 Å²	63	44.6 Å²	44.6	44%	0.441	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-23.7	-175.9	58.6	0	0	0	0	114.3	T58 N98	T58-S61 PolarHBondContact O-N 2.73Å; T58-S61 PolarHBondContact OG1-N 2.88Å; T58-S61 PolarHBondContact OG1-OG 2.87Å; S61-N98 PolarHBondContact O-ND2 2.9Å
62	G	95.4	Very high	94.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	26%	0.258	C	S	.	.			trans	-61.3	138.2	-177.4	0	0	0	0	0	112.2	T58 F65 N96 N98	T58-G62 WeakPolarHBondContact O-CA 3.47Å; T58-G62 PolarHBondContact O-N 2.87Å; G62-F65 WeakPolarHBondContact O-CE2 3.35Å; G62-F65 WeakPolarHBondContact O-CZ 3.47Å; G62-N96 PolarHBondContact O-ND2 2.76Å; G62-N98 PolarHBondContact O-ND2 3.44Å; G62-N98 VanDerWaalsContact O-ND2 3.12Å
63	T	95.8	Very high	94.6	Very high	68 Å²	68	49.3 Å²	49.3	42%	0.417	28%	0.278	S	S	.	.	S	Bend	trans	-97.9	-19.7	176.1	52.3	0	0	0	0	112.5	N98 V102	T63-N98 HydrophobicContact CG2-CB 4.39Å; T63-N98 VanDerWaalsContact CG2-OD1 3.25Å; T63-N98 WeakPolarHBondContact CG2-OD1 3.29Å; T63-V102 PolarHBondContact O-N 2.98Å
64	R	97.3	Very high	94.6	Very high	92 Å²	92	51.7 Å²	51.7	35%	0.347	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.6	-175.5	-57.5	-175	64.2	100	-0	110.6	I53 V102 D109	I53-R64 HydrophobicContact CD1-CB 3.99Å; R64-V102 CarbonylContact C-O 3.6Å; R64-V102 VanDerWaalsContact CA-O 3.27Å; R64-V102 WeakPolarHBondContact CA-O 3.26Å; R64-V102 HydrophobicContact CG-CB 4.31Å; R64-D109 IonicContact CZ-OD2 3.68Å; R64-D109 IonicContact NH1-OD2 3.89Å; R64-D109 PolarHBondContact NH1-OD2 2.93Å; R64-D109 IonicContact NH2-OD1 2.81Å; R64-D109 PolarHBondContact NH2-OD1 3.41Å; R64-D109 VanDerWaalsContact NH2-OD1 3.09Å; R64-D109 IonicContact NH2-OD2 2.71Å; R64-D109 PolarHBondContact NH2-OD2 3.31Å
65	F	97.8	Very high	94.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.4	-178	-58	-83.8	0	0	0	109.9	I50 L52 F59 G62 L90 N96 V101 V102 F103 E104	I50-F65 HydrophobicContact CG2-CB 3.78Å; I50-F65 HydrophobicContact CG2-CD1 4.18Å; I50-F65 HydrophobicContact CG2-CG 4.09Å; L52-F65 HydrophobicContact CD2-CD1 3.98Å; L52-F65 HydrophobicContact CD2-CE1 3.67Å; F59-F65 HydrophobicContact CD1-CD1 4.01Å; F59-F65 AromaticContact CD1-CE1 3.7Å; F59-F65 HydrophobicContact CD1-CE1 3.7Å; F59-F65 HydrophobicContact CE1-CD1 4.22Å; F59-F65 HydrophobicContact CE1-CE1 4.34Å; G62-F65 WeakPolarHBondContact O-CE2 3.35Å; G62-F65 WeakPolarHBondContact O-CZ 3.47Å; F65-L90 HydrophobicContact CD2-CD1 3.53Å; F65-L90 HydrophobicContact CE1-CD2 4.31Å; F65-L90 HydrophobicContact CE2-CD1 3.58Å; F65-L90 HydrophobicContact CE2-CD2 4.43Å; F65-L90 HydrophobicContact CG-CD1 4.11Å; F65-L90 HydrophobicContact CZ-CD1 4.19Å; F65-L90 HydrophobicContact CZ-CD2 4.21Å; F65-N96 WeakPolarHBondContact CZ-ND2 3.43Å; F65-V101 HydrophobicContact CD2-CB 4.36Å; F65-V101 HydrophobicContact CE2-CB 4.27Å; F65-V101 HydrophobicContact CE2-CG1 3.98Å; F65-V102 PolarHBondContact N-O 2.62Å; F65-F103 HydrophobicContact CB-CD1 3.87Å; F65-F103 HydrophobicContact CB-CE1 4.02Å; F65-F103 HydrophobicContact CD2-CE1 4.39Å; F65-F103 CarbonylContact O-C 3.53Å; F65-F103 VanDerWaalsContact O-CA 3.24Å; F65-F103 WeakPolarHBondContact O-CA 3.41Å; F65-E104 PolarHBondContact O-N 3.16Å
66	R	97.6	Very high	95.1	Very high	64 Å²	64	44.2 Å²	44.2	24%	0.242	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139	167.2	176.3	172.1	-61.5	111.3	14.4	109.1	E29 I50 T51 I53 E104	E29-R66 WeakPolarHBondContact OE1-CD 3.24Å; E29-R66 IonicContact OE1-CZ 3.66Å; E29-R66 IonicContact OE1-NE 3.01Å; E29-R66 IonicContact OE1-NH1 2.8Å; E29-R66 PolarHBondContact OE1-NH1 3.1Å; I50-R66 WeakPolarHBondContact CA-O 3.31Å; T51-R66 PolarHBondContact N-O 3.44Å; T51-R66 PolarHBondContact O-N 3.33Å; T51-R66 WeakPolarHBondContact OG1-CB 3.46Å; I53-R66 HydrophobicContact CG1-CB 4.18Å; R66-E104 IonicContact CZ-OE1 3.4Å; R66-E104 IonicContact NE-OE1 2.98Å; R66-E104 IonicContact NH2-OE1 3.44Å; R66-E104 PolarHBondContact NH2-OE1 2.98Å
67	L	98.1	Very high	95	Very high	2 Å²	2	42 Å²	42	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.5	-179.6	-179.3	59.4	0	0	0	110.3	A48 F49 I50 W69 T83 S86 F103 E104 T105	A48-L67 HydrophobicContact CB-CD1 4.03Å; F49-L67 WeakPolarHBondContact O-CA 3.5Å; I50-L67 HydrophobicContact CG1-CD1 4.06Å; L67-W69 HydrophobicContact CB-CZ2 4.4Å; L67-W69 HydrophobicContact CD2-CH2 4.44Å; L67-W69 HydrophobicContact CD2-CZ2 3.36Å; L67-W69 HydrophobicContact CG-CD2 4.37Å; L67-W69 HydrophobicContact CG-CH2 4.44Å; L67-W69 HydrophobicContact CG-CZ2 3.58Å; L67-T83 HydrophobicContact CD2-CG2 4.17Å; L67-S86 WeakPolarHBondContact CD1-OG 3.38Å; L67-F103 HydrophobicContact CB-CB 3.77Å; L67-F103 HydrophobicContact CB-CD1 3.68Å; L67-F103 HydrophobicContact CB-CG 3.9Å; L67-F103 HydrophobicContact CD2-CB 3.87Å; L67-F103 HydrophobicContact CD2-CD1 3.78Å; L67-F103 HydrophobicContact CD2-CD2 3.73Å; L67-F103 HydrophobicContact CD2-CE1 4.2Å; L67-F103 HydrophobicContact CD2-CE2 4.14Å; L67-F103 HydrophobicContact CD2-CG 3.51Å; L67-F103 HydrophobicContact CD2-CZ 4.36Å; L67-F103 HydrophobicContact CG-CB 4.49Å; L67-F103 HydrophobicContact CG-CD1 4.27Å; L67-F103 HydrophobicContact CG-CG 4.35Å; L67-E104 PolarHBondContact N-O 2.9Å; L67-T105 HydrophobicContact CB-CG2 4.21Å
68	R	98.1	Very high	94.6	Very high	32 Å²	32	42.9 Å²	42.9	12%	0.121	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.9	174.7	-60	176.7	69.6	-177.6	1.4	109.2	D32 Y35 A48 F49 F70 E75	D32-R68 IonicContact OD1-CZ 3.68Å; D32-R68 VanDerWaalsContact OD1-CZ 3.28Å; D32-R68 IonicContact OD1-NH1 3.16Å; D32-R68 PolarHBondContact OD1-NH1 2.96Å; D32-R68 IonicContact OD1-NH2 3.97Å; D32-R68 PolarHBondContact OD1-NH2 2.86Å; D32-R68 IonicContact OD2-NH2 2.71Å; Y35-R68 VanDerWaalsContact CE2-NH1 3.25Å; A48-R68 CarbonylContact C-O 3.5Å; A48-R68 WeakPolarHBondContact CA-O 3.41Å; F49-R68 PolarHBondContact N-O 3.34Å; F49-R68 PolarHBondContact O-N 3.21Å; F49-R68 VanDerWaalsContact O-N 3.14Å; R68-F70 HydrophobicContact CB-CD2 4.48Å; R68-F70 HydrophobicContact CB-CE2 3.85Å; R68-E75 IonicContact CZ-OE1 3.71Å; R68-E75 IonicContact CZ-OE2 3.52Å; R68-E75 IonicContact NE-OE1 2.69Å; R68-E75 PolarHBondContact NE-OE1 2.87Å; R68-E75 IonicContact NE-OE2 2.8Å; R68-E75 VanDerWaalsContact NH2-CD 3.3Å; R68-E75 IonicContact NH2-OE1 2.76Å; R68-E75 PolarHBondContact NH2-OE1 3.13Å; R68-E75 IonicContact NH2-OE2 3.27Å; R68-E75 PolarHBondContact NH2-OE2 2.95Å
69	W	97.7	Very high	94.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.2	178.7	-46.1	-91.5	0	0	0	110.7	E46 T47 L67 E75 V76 N77 C79 T83 T105 L110	E46-W69 HydrophobicContact CG-CB 4.46Å; T47-W69 WeakPolarHBondContact O-CA 3.46Å; L67-W69 HydrophobicContact CB-CZ2 4.4Å; L67-W69 HydrophobicContact CD2-CH2 4.44Å; L67-W69 HydrophobicContact CD2-CZ2 3.36Å; L67-W69 HydrophobicContact CG-CD2 4.37Å; L67-W69 HydrophobicContact CG-CH2 4.44Å; L67-W69 HydrophobicContact CG-CZ2 3.58Å; W69-E75 WeakPolarHBondContact O-CA 3.31Å; W69-E75 VanDerWaalsContact O-CG 3.31Å; W69-E75 WeakPolarHBondContact O-CG 3.4Å; W69-V76 HydrophobicContact CB-CG2 3.73Å; W69-V76 PolarHBondContact O-N 2.99Å; W69-N77 VanDerWaalsContact CZ3-O 3.29Å; W69-N77 WeakPolarHBondContact CZ3-O 3.45Å; W69-C79 HydrophobicContact CB-CB 4.12Å; W69-C79 HydrophobicContact CD2-CB 4.02Å; W69-C79 HydrophobicContact CG-CB 3.74Å; W69-T83 WeakPolarHBondContact CZ2-OG1 3.28Å; W69-T105 VanDerWaalsContact CH2-CB 3.41Å; W69-T105 HydrophobicContact CH2-CG2 3.2Å; W69-T105 HydrophobicContact CZ2-CG2 3.86Å; W69-T105 HydrophobicContact CZ3-CG2 3.96Å; W69-L110 HydrophobicContact CH2-CD1 3.78Å; W69-L110 HydrophobicContact CZ2-CD1 4.02Å
70	F	96.6	Very high	94.2	Very high	5 Å²	5	39 Å²	39	2%	0.022	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.5	-179.6	-69.8	-104.1	0	0	0	108.7	Y35 Q36 A39 E46 T47 F49 R68 M74 E75	Y35-F70 VanDerWaalsContact CB-CZ 3.42Å; Y35-F70 HydrophobicContact CD1-CE2 4.32Å; Y35-F70 HydrophobicContact CD2-CE2 4.34Å; Y35-F70 HydrophobicContact CD2-CZ 4.12Å; Y35-F70 AromaticContact CG-CE2 3.87Å; Y35-F70 HydrophobicContact CG-CE2 3.87Å; Y35-F70 AromaticContact CG-CZ 3.9Å; Y35-F70 HydrophobicContact CG-CZ 3.9Å; Q36-F70 HydrophobicContact CB-CD1 4.48Å; A39-F70 HydrophobicContact CB-CB 3.43Å; A39-F70 VanDerWaalsContact CB-CB 3.43Å; A39-F70 HydrophobicContact CB-CG 4.49Å; E46-F70 CarbonylContact C-O 2.86Å; E46-F70 WeakPolarHBondContact CA-O 3.4Å; T47-F70 PolarHBondContact N-O 2.86Å; T47-F70 PolarHBondContact O-N 3.19Å; F49-F70 AromaticContact CD2-CD2 3.74Å; F49-F70 HydrophobicContact CD2-CD2 3.74Å; F49-F70 HydrophobicContact CD2-CE2 4.11Å; F49-F70 HydrophobicContact CE2-CB 4.42Å; F49-F70 AromaticContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CD2 3.7Å; F49-F70 HydrophobicContact CE2-CE2 4.33Å; F49-F70 HydrophobicContact CE2-CG 4.3Å; R68-F70 HydrophobicContact CB-CD2 4.48Å; R68-F70 HydrophobicContact CB-CE2 3.85Å; F70-M74 CarbonylContact C-O 3.5Å; F70-M74 WeakPolarHBondContact CA-O 3.39Å; F70-E75 HydrophobicContact CD1-CB 3.77Å; F70-E75 HydrophobicContact CD1-CG 4.19Å; F70-E75 HydrophobicContact CD2-CG 4.25Å; F70-E75 HydrophobicContact CE1-CB 3.56Å; F70-E75 HydrophobicContact CE1-CG 3.87Å; F70-E75 HydrophobicContact CE2-CG 3.92Å; F70-E75 HydrophobicContact CG-CB 4.36Å; F70-E75 HydrophobicContact CG-CG 4.39Å; F70-E75 HydrophobicContact CZ-CB 3.96Å; F70-E75 HydrophobicContact CZ-CG 3.72Å
71	T	93.2	Very high	94.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.191	C	C	.	.			trans	-74.8	174.6	158.5	72.6	0	0	0	0	108.3	Q36 E46 T73 M74 V76 I223	Q36-T71 PolarHBondContact NE2-O 2.79Å; E46-T71 HydrophobicContact CG-CG2 4.27Å; T71-T73 PolarHBondContact O-N 2.96Å; T71-T73 PolarHBondContact OG1-N 2.79Å; T71-T73 PolarHBondContact OG1-OG1 3Å; T71-M74 PolarHBondContact N-O 2.98Å; T71-M74 PolarHBondContact OG1-N 3.07Å; T71-M74 VanDerWaalsContact OG1-N 3.1Å; T71-M74 PolarHBondContact OG1-O 2.75Å; T71-V76 HydrophobicContact CG2-CG1 3.7Å; T71-I223 HydrophobicContact CG2-CD1 4.15Å
72	P	93.3	Very high	94.2	Very high	38 Å²	38	33.1 Å²	33.1	25%	0.247	17%	0.17	C	C	.	.	S	Bend	trans	-58.1	-17.7	174.2	-28.9	38.8	0	0	0	114.5	Q36 L44	Q36-P72 PolarHBondContact NE2-O 2.78Å; L44-P72 WeakPolarHBondContact O-CD 3.32Å; L44-P72 WeakPolarHBondContact O-CG 3.36Å
73	T	91.4	Very high	94.2	Very high	97 Å²	97	33 Å²	33	60%	0.595	17%	0.169	S	C	*	.	S	Bend	trans	-118.4	-22.4	-172.5	59.1	0	0	0	0	114.7	T71	T71-T73 PolarHBondContact O-N 2.96Å; T71-T73 PolarHBondContact OG1-N 2.79Å; T71-T73 PolarHBondContact OG1-OG1 3Å
74	M	92.4	Very high	94.3	Very high	93 Å²	93	29.8 Å²	29.8	46%	0.458	15%	0.149	S	C	.	.			trans	-160.3	162.3	-177.3	68.4	-171.1	-40.5	0	0	114	F70 T71 V76	F70-M74 CarbonylContact C-O 3.5Å; F70-M74 WeakPolarHBondContact CA-O 3.39Å; T71-M74 PolarHBondContact N-O 2.98Å; T71-M74 PolarHBondContact OG1-N 3.07Å; T71-M74 VanDerWaalsContact OG1-N 3.1Å; T71-M74 PolarHBondContact OG1-O 2.75Å; M74-V76 HydrophobicContact CG-CG1 4.4Å
75	E	95.4	Very high	94.3	Very high	28 Å²	28	25.4 Å²	25.4	13%	0.131	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.7	164.7	-164.6	175	177.5	0	0	111.3	R68 W69 F70 R106	R68-E75 IonicContact CZ-OE1 3.71Å; R68-E75 IonicContact CZ-OE2 3.52Å; R68-E75 IonicContact NE-OE1 2.69Å; R68-E75 PolarHBondContact NE-OE1 2.87Å; R68-E75 IonicContact NE-OE2 2.8Å; R68-E75 VanDerWaalsContact NH2-CD 3.3Å; R68-E75 IonicContact NH2-OE1 2.76Å; R68-E75 PolarHBondContact NH2-OE1 3.13Å; R68-E75 IonicContact NH2-OE2 3.27Å; R68-E75 PolarHBondContact NH2-OE2 2.95Å; W69-E75 WeakPolarHBondContact O-CA 3.31Å; W69-E75 VanDerWaalsContact O-CG 3.31Å; W69-E75 WeakPolarHBondContact O-CG 3.4Å; F70-E75 HydrophobicContact CD1-CB 3.77Å; F70-E75 HydrophobicContact CD1-CG 4.19Å; F70-E75 HydrophobicContact CD2-CG 4.25Å; F70-E75 HydrophobicContact CE1-CB 3.56Å; F70-E75 HydrophobicContact CE1-CG 3.87Å; F70-E75 HydrophobicContact CE2-CG 3.92Å; F70-E75 HydrophobicContact CG-CB 4.36Å; F70-E75 HydrophobicContact CG-CG 4.39Å; F70-E75 HydrophobicContact CZ-CB 3.96Å; F70-E75 HydrophobicContact CZ-CG 3.72Å; E75-R106 IonicContact OE1-CZ 2.86Å; E75-R106 IonicContact OE1-NE 2.9Å; E75-R106 IonicContact OE1-NH1 3.28Å; E75-R106 IonicContact OE1-NH2 3.35Å; E75-R106 IonicContact OE2-CZ 3.18Å; E75-R106 IonicContact OE2-NE 2.67Å; E75-R106 IonicContact OE2-NH1 2.76Å; E75-R106 PolarHBondContact OE2-NH1 2.72Å; E75-R106 IonicContact OE2-NH2 3.54Å; E75-R106 PolarHBondContact OE2-NH2 3.37Å
76	V	89.8	Confident	94.4	Very high	24 Å²	24	25.4 Å²	25.4	15%	0.145	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.3	176.7	-63.2	0	0	0	0	111.4	E46 W69 T71 M74 C79	E46-V76 HydrophobicContact CG-CG2 4.34Å; W69-V76 HydrophobicContact CB-CG2 3.73Å; W69-V76 PolarHBondContact O-N 2.99Å; T71-V76 HydrophobicContact CG2-CG1 3.7Å; M74-V76 HydrophobicContact CG-CG1 4.4Å; V76-C79 HydrophobicContact CG2-CB 4.31Å
77	N	87.5	Confident	94.4	Very high	83 Å²	83	22.4 Å²	22.4	44%	0.444	12%	0.121	S	C	.	.	S	Bend	trans	-77	-23.8	-175.7	-68.5	-22.1	0	0	0	113.7	W69 R106 S107	W69-N77 VanDerWaalsContact CZ3-O 3.29Å; W69-N77 WeakPolarHBondContact CZ3-O 3.45Å; N77-R106 HydrophobicContact CB-CB 4.36Å; N77-R106 WeakPolarHBondContact OD1-CD 3.26Å; N77-S107 WeakPolarHBondContact CB-OG 3.39Å; N77-S107 WeakPolarHBondContact O-CB 3.47Å; N77-S107 PolarHBondContact O-OG 3.05Å
78	L	85.3	Confident	94.4	Very high	56 Å²	56	22.3 Å²	22.3	29%	0.293	12%	0.121	S	C	.	.			trans	-155	125.4	-174.2	-172.1	62.2	0	0	0	111.1	L110 F123	L78-L110 HydrophobicContact CD1-CD1 3.45Å; L78-L110 VanDerWaalsContact CD1-CD1 3.45Å; L78-L110 HydrophobicContact CD1-CD2 4.03Å; L78-L110 HydrophobicContact CD1-CG 4.3Å; L78-F123 HydrophobicContact CD1-CE1 3.8Å; L78-F123 HydrophobicContact CD2-CD1 4.44Å; L78-F123 HydrophobicContact CD2-CE1 4.12Å; L78-F123 HydrophobicContact CG-CE1 4.2Å
79	C	90.8	Very high	94.4	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.027	12%	0.115	C	C	.	.			trans	-138.1	116.8	173.5	-178.7	0	0	0	0	111.6	E46 W69 V76 H81 A82 T83	E46-C79 HydrophobicContact CG-CB 4.27Å; W69-C79 HydrophobicContact CB-CB 4.12Å; W69-C79 HydrophobicContact CD2-CB 4.02Å; W69-C79 HydrophobicContact CG-CB 3.74Å; V76-C79 HydrophobicContact CG2-CB 4.31Å; C79-H81 PolarHBondContact SG-CE1 3.07Å; C79-A82 HydrophobicContact CB-CB 4.27Å; C79-A82 VanDerWaalsContact SG-CB 3.53Å; C79-T83 WeakPolarHBondContact O-CB 3.29Å; C79-T83 PolarHBondContact O-N 2.94Å; C79-T83 PolarHBondContact O-OG1 3.16Å
80	G	91.7	Very high	94.4	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-70.6	-56.6	-175.7	0	0	0	0	0	113.7	A82 T83 L84	G80-A82 VanDerWaalsContact C-N 3.34Å; G80-A82 PolarHBondContact O-N 3.4Å; G80-T83 WeakPolarHBondContact O-CB 3.27Å; G80-T83 PolarHBondContact O-N 2.86Å; G80-T83 VanDerWaalsContact O-N 3.11Å; G80-L84 PolarHBondContact O-N 3.47Å
81	H	95.4	Very high	94.4	Very high	2 Å²	2	21 Å²	21	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-39.3	-173.9	65.7	-94.3	0	0	0	112	A10 F11 N19 E46 C79 T83 L84 A85	A10-H81 HydrophobicContact CB-CB 3.89Å; A10-H81 WeakPolarHBondContact CB-O 3.14Å; F11-H81 HydrophobicContact CD2-CB 3.89Å; F11-H81 HydrophobicContact CE2-CB 3.57Å; N19-H81 HydrophobicContact CB-CB 3.88Å; N19-H81 PolarHBondContact ND2-CE1 3.23Å; N19-H81 VanDerWaalsContact ND2-CE1 3.27Å; N19-H81 PolarHBondContact ND2-ND1 2.83Å; E46-H81 IonicContact OE2-CE1 3.09Å; E46-H81 PolarHBondContact OE2-CE1 3.21Å; E46-H81 IonicContact OE2-NE2 3.3Å; E46-H81 PolarHBondContact OE2-NE2 3.2Å; C79-H81 PolarHBondContact SG-CE1 3.07Å; H81-T83 VanDerWaalsContact C-N 3.32Å; H81-T83 PolarHBondContact O-N 3.44Å; H81-L84 WeakPolarHBondContact O-CB 3.4Å; H81-L84 PolarHBondContact O-N 3.32Å; H81-A85 WeakPolarHBondContact O-CB 3.49Å; H81-A85 PolarHBondContact O-N 3.27Å
82	A	96.9	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.1	-25.5	177.5	0	0	0	0	0	112.7	A21 E46 A48 C79 G80 S86	A21-A82 HydrophobicContact CB-CB 3.85Å; E46-A82 HydrophobicContact CB-CB 4.13Å; A48-A82 HydrophobicContact CB-CB 4.2Å; C79-A82 HydrophobicContact CB-CB 4.27Å; C79-A82 VanDerWaalsContact SG-CB 3.53Å; G80-A82 VanDerWaalsContact C-N 3.34Å; G80-A82 PolarHBondContact O-N 3.4Å; A82-S86 VanDerWaalsContact O-CB 3.27Å; A82-S86 WeakPolarHBondContact O-CB 3.44Å; A82-S86 PolarHBondContact O-N 2.88Å; A82-S86 PolarHBondContact O-OG 2.93Å
83	T	97	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-45.5	167.9	-60	0	0	0	0	111.3	L67 W69 C79 G80 H81 S86 A87 F103 L110 V112 M121	L67-T83 HydrophobicContact CD2-CG2 4.17Å; W69-T83 WeakPolarHBondContact CZ2-OG1 3.28Å; C79-T83 WeakPolarHBondContact O-CB 3.29Å; C79-T83 PolarHBondContact O-N 2.94Å; C79-T83 PolarHBondContact O-OG1 3.16Å; G80-T83 WeakPolarHBondContact O-CB 3.27Å; G80-T83 PolarHBondContact O-N 2.86Å; G80-T83 VanDerWaalsContact O-N 3.11Å; H81-T83 VanDerWaalsContact C-N 3.32Å; H81-T83 PolarHBondContact O-N 3.44Å; T83-S86 WeakPolarHBondContact O-CB 3.24Å; T83-S86 PolarHBondContact O-N 2.93Å; T83-A87 PolarHBondContact O-N 3.45Å; T83-F103 HydrophobicContact CG2-CD2 3.75Å; T83-F103 HydrophobicContact CG2-CE2 4.05Å; T83-L110 HydrophobicContact CG2-CB 4.41Å; T83-L110 HydrophobicContact CG2-CD1 4.33Å; T83-V112 HydrophobicContact CG2-CG2 3.7Å; T83-M121 HydrophobicContact CG2-SD 4.15Å
84	L	97.2	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-47.3	175.9	-158.9	75.5	0	0	0	111.1	A10 F11 G80 H81 S86 A87 A88 V112 M121 V277	A10-L84 HydrophobicContact CB-CB 4.41Å; A10-L84 HydrophobicContact CB-CD2 4.15Å; F11-L84 HydrophobicContact CD1-CD2 4.12Å; F11-L84 HydrophobicContact CE1-CD2 3.98Å; F11-L84 HydrophobicContact CZ-CD2 4.31Å; G80-L84 PolarHBondContact O-N 3.47Å; H81-L84 WeakPolarHBondContact O-CB 3.4Å; H81-L84 PolarHBondContact O-N 3.32Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 2.73Å; L84-A87 PolarHBondContact O-N 3.36Å; L84-A88 PolarHBondContact O-N 3.47Å; L84-V112 HydrophobicContact CD1-CG1 4.42Å; L84-M121 HydrophobicContact CB-CE 4.11Å; L84-M121 HydrophobicContact CB-SD 3.88Å; L84-M121 HydrophobicContact CD1-CE 3.89Å; L84-M121 HydrophobicContact CD1-CG 3.68Å; L84-M121 HydrophobicContact CD1-SD 3.88Å; L84-M121 HydrophobicContact CG-CE 4.46Å; L84-V277 HydrophobicContact CB-CG2 4.31Å; L84-V277 HydrophobicContact CD2-CG2 3.58Å; L84-V277 HydrophobicContact CG-CG2 3.63Å
85	A	98	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-39.7	175.8	0	0	0	0	0	112.2	L8 A21 V23 H81 A88 V89	L8-A85 HydrophobicContact CB-CB 4.19Å; L8-A85 HydrophobicContact CD1-CB 4.29Å; A21-A85 HydrophobicContact CB-CB 4.1Å; V23-A85 HydrophobicContact CG2-CB 3.83Å; H81-A85 WeakPolarHBondContact O-CB 3.49Å; H81-A85 PolarHBondContact O-N 3.27Å; A85-A88 WeakPolarHBondContact O-CB 3.19Å; A85-A88 PolarHBondContact O-N 3.46Å; A85-V89 PolarHBondContact O-N 3.43Å
86	S	98.4	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-43.8	177.1	-65	0	0	0	0	112.5	A48 L67 A82 T83 L84 A88 V89 L90	A48-S86 WeakPolarHBondContact CB-OG 3.24Å; L67-S86 WeakPolarHBondContact CD1-OG 3.38Å; A82-S86 VanDerWaalsContact O-CB 3.27Å; A82-S86 WeakPolarHBondContact O-CB 3.44Å; A82-S86 PolarHBondContact O-N 2.88Å; A82-S86 PolarHBondContact O-OG 2.93Å; T83-S86 WeakPolarHBondContact O-CB 3.24Å; T83-S86 PolarHBondContact O-N 2.93Å; L84-S86 VanDerWaalsContact C-N 3.32Å; L84-S86 PolarHBondContact O-N 2.73Å; S86-A88 VanDerWaalsContact C-N 3.33Å; S86-A88 PolarHBondContact O-N 3.25Å; S86-V89 PolarHBondContact O-N 2.9Å; S86-L90 PolarHBondContact O-N 3.35Å; S86-L90 VanDerWaalsContact O-N 3.15Å
87	A	97.9	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-42.1	173.3	0	0	0	0	0	111.5	T83 L84 V89 L90 F91 V101 F103 V112	T83-A87 PolarHBondContact O-N 3.45Å; L84-A87 PolarHBondContact O-N 3.36Å; A87-V89 VanDerWaalsContact C-N 3.29Å; A87-V89 PolarHBondContact O-N 3.49Å; A87-L90 PolarHBondContact O-N 3.1Å; A87-L90 VanDerWaalsContact O-N 3.14Å; A87-F91 HydrophobicContact CB-CD2 4.19Å; A87-F91 HydrophobicContact CB-CE2 3.99Å; A87-F91 WeakPolarHBondContact O-CD2 3.29Å; A87-F91 WeakPolarHBondContact O-CG 3.45Å; A87-F91 PolarHBondContact O-N 2.98Å; A87-V101 HydrophobicContact CB-CG2 4.15Å; A87-F103 HydrophobicContact CB-CE2 4.12Å; A87-F103 HydrophobicContact CB-CZ 4.37Å; A87-V112 HydrophobicContact CB-CB 3.65Å; A87-V112 HydrophobicContact CB-CG1 3.45Å; A87-V112 VanDerWaalsContact CB-CG1 3.45Å; A87-V112 HydrophobicContact CB-CG2 4.01Å
88	A	97.8	Very high	96	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-40.6	175.9	0	0	0	0	0	112	L8 L84 A85 S86 L90 F91 Q92 Y119 V277	L8-A88 HydrophobicContact CD2-CB 3.99Å; L84-A88 PolarHBondContact O-N 3.47Å; A85-A88 WeakPolarHBondContact O-CB 3.19Å; A85-A88 PolarHBondContact O-N 3.46Å; S86-A88 VanDerWaalsContact C-N 3.33Å; S86-A88 PolarHBondContact O-N 3.25Å; A88-L90 PolarHBondContact O-N 3.26Å; A88-F91 PolarHBondContact O-N 3.49Å; A88-Q92 VanDerWaalsContact O-CB 3.25Å; A88-Q92 WeakPolarHBondContact O-CB 3.42Å; A88-Q92 WeakPolarHBondContact O-CG 3.35Å; A88-Q92 PolarHBondContact O-N 3.46Å; A88-Y119 HydrophobicContact CB-CD2 4.21Å; A88-Y119 HydrophobicContact CB-CE2 3.46Å; A88-Y119 VanDerWaalsContact CB-CE2 3.46Å; A88-V277 HydrophobicContact CB-CB 3.97Å; A88-V277 HydrophobicContact CB-CG1 3.76Å; A88-V277 HydrophobicContact CB-CG2 4.23Å
89	V	98.4	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-45.9	174	170.7	0	0	0	0	112.1	F6 L8 V23 P25 A85 S86 A87 Y93 K94	F6-V89 HydrophobicContact CB-CG2 3.78Å; F6-V89 HydrophobicContact CD1-CG2 4.46Å; F6-V89 HydrophobicContact CD2-CG1 3.8Å; F6-V89 HydrophobicContact CD2-CG2 3.99Å; F6-V89 HydrophobicContact CE2-CG1 3.87Å; F6-V89 HydrophobicContact CG-CG1 4.34Å; F6-V89 HydrophobicContact CG-CG2 3.83Å; F6-V89 HydrophobicContact CZ-CG1 4.42Å; L8-V89 HydrophobicContact CD1-CG2 3.58Å; L8-V89 HydrophobicContact CD2-CG2 4.17Å; V23-V89 HydrophobicContact CB-CG2 3.83Å; V23-V89 HydrophobicContact CG1-CB 3.98Å; V23-V89 HydrophobicContact CG1-CG1 4.28Å; V23-V89 HydrophobicContact CG1-CG2 3.71Å; V23-V89 HydrophobicContact CG2-CG2 4.28Å; P25-V89 HydrophobicContact CG-CG1 4.16Å; A85-V89 PolarHBondContact O-N 3.43Å; S86-V89 PolarHBondContact O-N 2.9Å; A87-V89 VanDerWaalsContact C-N 3.29Å; A87-V89 PolarHBondContact O-N 3.49Å; V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 3.15Å; V89-K94 PolarHBondContact O-N 3.19Å; V89-K94 VanDerWaalsContact O-N 3.11Å
90	L	98.2	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-47.9	177.8	-67.5	176.6	0	0	0	111.6	I50 F59 F65 S86 A87 A88 K94 N95 N96 V101 F103	I50-L90 HydrophobicContact CD1-CD2 4.32Å; I50-L90 HydrophobicContact CD1-CG 4.13Å; I50-L90 HydrophobicContact CG2-CD2 4.4Å; F59-L90 HydrophobicContact CB-CD2 4.18Å; F59-L90 HydrophobicContact CD1-CD2 3.66Å; F59-L90 HydrophobicContact CE1-CD2 4.49Å; F59-L90 HydrophobicContact CG-CD2 4.32Å; F65-L90 HydrophobicContact CD2-CD1 3.53Å; F65-L90 HydrophobicContact CE1-CD2 4.31Å; F65-L90 HydrophobicContact CE2-CD1 3.58Å; F65-L90 HydrophobicContact CE2-CD2 4.43Å; F65-L90 HydrophobicContact CG-CD1 4.11Å; F65-L90 HydrophobicContact CZ-CD1 4.19Å; F65-L90 HydrophobicContact CZ-CD2 4.21Å; S86-L90 PolarHBondContact O-N 3.35Å; S86-L90 VanDerWaalsContact O-N 3.15Å; A87-L90 PolarHBondContact O-N 3.1Å; A87-L90 VanDerWaalsContact O-N 3.14Å; A88-L90 PolarHBondContact O-N 3.26Å; L90-K94 HydrophobicContact CD2-CG 4.32Å; L90-K94 CarbonylContact O-C 3.36Å; L90-K94 WeakPolarHBondContact O-CA 3.4Å; L90-K94 WeakPolarHBondContact O-CB 3.48Å; L90-K94 PolarHBondContact O-N 3.47Å; L90-N95 PolarHBondContact O-N 3.26Å; L90-N96 HydrophobicContact CB-CB 4.19Å; L90-N96 WeakPolarHBondContact O-CB 3.33Å; L90-N96 PolarHBondContact O-N 2.76Å; L90-V101 HydrophobicContact CD1-CB 4.33Å; L90-V101 HydrophobicContact CD1-CG1 4.22Å; L90-V101 HydrophobicContact CD1-CG2 4.2Å; L90-F103 HydrophobicContact CD1-CE1 3.71Å; L90-F103 HydrophobicContact CD1-CZ 3.7Å
91	F	97.4	Very high	97	Very high	11 Å²	11	30.3 Å²	30.3	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-72.7	-42.7	-176.4	-66.9	-50.9	0	0	0	113.5	A87 A88 N96 N98 V101 K114 Y119	A87-F91 HydrophobicContact CB-CD2 4.19Å; A87-F91 HydrophobicContact CB-CE2 3.99Å; A87-F91 WeakPolarHBondContact O-CD2 3.29Å; A87-F91 WeakPolarHBondContact O-CG 3.45Å; A87-F91 PolarHBondContact O-N 2.98Å; A88-F91 PolarHBondContact O-N 3.49Å; F91-N96 HydrophobicContact CD1-CB 4.16Å; F91-N98 WeakPolarHBondContact CE1-O 3.41Å; F91-V101 HydrophobicContact CE1-CG1 3.87Å; F91-V101 HydrophobicContact CE2-CG2 4.14Å; F91-V101 HydrophobicContact CZ-CB 4.38Å; F91-V101 HydrophobicContact CZ-CG1 3.85Å; F91-V101 HydrophobicContact CZ-CG2 3.89Å; F91-K114 HydrophobicContact CE2-CB 4.47Å; F91-Y119 HydrophobicContact CB-CE1 4.07Å; F91-Y119 AromaticContact CD2-CD1 3.67Å; F91-Y119 HydrophobicContact CD2-CD1 3.67Å; F91-Y119 AromaticContact CD2-CE1 3.35Å; F91-Y119 HydrophobicContact CD2-CE1 3.35Å; F91-Y119 HydrophobicContact CE2-CD1 4.01Å; F91-Y119 HydrophobicContact CE2-CE1 4.15Å; F91-Y119 HydrophobicContact CG-CE1 4.08Å
92	Q	95.6	Very high	97.1	Very high	75 Å²	75	31.8 Å²	31.8	35%	0.35	17%	0.172	S	C	.	.	H	α-helix	trans	-87.7	-38.8	-173.2	-63.9	176.5	3.8	0	0	113.1	A88 Y119	A88-Q92 VanDerWaalsContact O-CB 3.25Å; A88-Q92 WeakPolarHBondContact O-CB 3.42Å; A88-Q92 WeakPolarHBondContact O-CG 3.35Å; A88-Q92 PolarHBondContact O-N 3.46Å; Q92-Y119 VanDerWaalsContact CG-OH 3.26Å; Q92-Y119 WeakPolarHBondContact CG-OH 3.19Å; Q92-Y119 PolarHBondContact NE2-OH 3.01Å
93	Y	96.6	Very high	97.1	Very high	76 Å²	76	31.8 Å²	31.8	30%	0.298	17%	0.172	S	C	.	.	H	α-helix	trans	-110.9	-23.3	-169.7	-63.7	-81.3	0	0	0	113.5	F6 V89 T279	F6-Y93 HydrophobicContact CD1-CD1 4.19Å; F6-Y93 AromaticContact CD1-CD2 3.89Å; F6-Y93 HydrophobicContact CD1-CD2 3.89Å; F6-Y93 HydrophobicContact CD1-CE1 4.37Å; F6-Y93 HydrophobicContact CD1-CE2 4.1Å; F6-Y93 AromaticContact CD1-CG 3.94Å; F6-Y93 HydrophobicContact CD1-CG 3.94Å; F6-Y93 AromaticContact CE1-CD1 3.53Å; F6-Y93 HydrophobicContact CE1-CD1 3.53Å; F6-Y93 AromaticContact CE1-CD2 3.82Å; F6-Y93 HydrophobicContact CE1-CD2 3.82Å; F6-Y93 HydrophobicContact CE1-CE1 4.08Å; F6-Y93 HydrophobicContact CE1-CE2 4.35Å; F6-Y93 AromaticContact CE1-CG 3.37Å; F6-Y93 HydrophobicContact CE1-CG 3.37Å; F6-Y93 HydrophobicContact CZ-CD1 4.44Å; F6-Y93 HydrophobicContact CZ-CG 4.09Å; V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 3.15Å; Y93-T279 HydrophobicContact CE2-CG2 4.39Å; Y93-T279 WeakPolarHBondContact CE2-OG1 3.27Å; Y93-T279 WeakPolarHBondContact OH-CB 3.3Å; Y93-T279 VanDerWaalsContact OH-CG2 3.26Å; Y93-T279 WeakPolarHBondContact OH-CG2 3.47Å; Y93-T279 PolarHBondContact OH-OG1 2.76Å
94	K	97.1	Very high	97	Very high	49 Å²	49	35.1 Å²	35.1	21%	0.213	19%	0.188	C	C	.	.	S	Bend	trans	-100.2	0.7	171.5	-50.8	-58.5	179.1	-174.4	0	112.8	P25 F59 T60 V89 L90 N96	P25-K94 VanDerWaalsContact CG-CE 3.5Å; F59-K94 HydrophobicContact CB-CB 3.66Å; F59-K94 HydrophobicContact CB-CD 4.15Å; F59-K94 HydrophobicContact CB-CG 3.73Å; F59-K94 HydrophobicContact CG-CG 4.31Å; T60-K94 WeakPolarHBondContact CA-O 3.38Å; T60-K94 WeakPolarHBondContact CB-O 3.25Å; T60-K94 PolarHBondContact OG1-O 3.33Å; V89-K94 PolarHBondContact O-N 3.19Å; V89-K94 VanDerWaalsContact O-N 3.11Å; L90-K94 HydrophobicContact CD2-CG 4.32Å; L90-K94 CarbonylContact O-C 3.36Å; L90-K94 WeakPolarHBondContact O-CA 3.4Å; L90-K94 WeakPolarHBondContact O-CB 3.48Å; L90-K94 PolarHBondContact O-N 3.47Å; K94-N96 PolarHBondContact O-N 3.26Å
95	N	96.6	Very high	96.9	Very high	110 Å²	110	36 Å²	36	59%	0.588	19%	0.193	S	C	*	.			trans	49.5	39.5	-179.2	-62.6	-53.7	0	0	0	112.1	T60 L90 V97	T60-N95 WeakPolarHBondContact CG2-O 3.29Å; L90-N95 PolarHBondContact O-N 3.26Å; N95-V97 PolarHBondContact O-N 2.71Å
96	N	97.7	Very high	96.6	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.059	22%	0.219	C	C	.	.			trans	-59.2	125.1	-178.7	-167.6	-64.8	0	0	0	109.9	F59 T60 G62 F65 L90 F91 K94 N98	F59-N96 WeakPolarHBondContact O-CB 3.39Å; F59-N96 PolarHBondContact O-ND2 3.27Å; T60-N96 VanDerWaalsContact O-CA 3.27Å; T60-N96 WeakPolarHBondContact O-CA 3.49Å; G62-N96 PolarHBondContact O-ND2 2.76Å; F65-N96 WeakPolarHBondContact CZ-ND2 3.43Å; L90-N96 HydrophobicContact CB-CB 4.19Å; L90-N96 WeakPolarHBondContact O-CB 3.33Å; L90-N96 PolarHBondContact O-N 2.76Å; F91-N96 HydrophobicContact CD1-CB 4.16Å; K94-N96 PolarHBondContact O-N 3.26Å; N96-N98 VanDerWaalsContact C-N 3.34Å; N96-N98 VanDerWaalsContact OD1-CB 3.32Å; N96-N98 WeakPolarHBondContact OD1-CB 3.37Å; N96-N98 PolarHBondContact OD1-N 2.86Å; N96-N98 PolarHBondContact OD1-ND2 2.94Å
97	V	96.2	Very high	96	Very high	111 Å²	111	46 Å²	46	67%	0.673	24%	0.24	S	C	*	.			trans	-84.6	-11.9	-170	-60	0	0	0	0	113.3	T60 N95	T60-V97 HydrophobicContact CG2-CG1 4.43Å; T60-V97 PolarHBondContact O-N 3.14Å; N95-V97 PolarHBondContact O-N 2.71Å
98	N	96.3	Very high	95.6	Very high	36 Å²	36	47.6 Å²	47.6	19%	0.193	26%	0.258	C	S	.	.			trans	-74.5	146.7	-175.9	-62.4	-74	0	0	0	110.7	S61 G62 T63 F91 N96 T100	S61-N98 PolarHBondContact O-ND2 2.9Å; G62-N98 PolarHBondContact O-ND2 3.44Å; G62-N98 VanDerWaalsContact O-ND2 3.12Å; T63-N98 HydrophobicContact CG2-CB 4.39Å; T63-N98 VanDerWaalsContact CG2-OD1 3.25Å; T63-N98 WeakPolarHBondContact CG2-OD1 3.29Å; F91-N98 WeakPolarHBondContact CE1-O 3.41Å; N96-N98 VanDerWaalsContact C-N 3.34Å; N96-N98 VanDerWaalsContact OD1-CB 3.32Å; N96-N98 WeakPolarHBondContact OD1-CB 3.37Å; N96-N98 PolarHBondContact OD1-N 2.86Å; N96-N98 PolarHBondContact OD1-ND2 2.94Å; N98-T100 WeakPolarHBondContact CB-O 3.47Å; N98-T100 PolarHBondContact O-N 2.84Å
99	P	94.1	Very high	95.4	Very high	103 Å²	103	51.6 Å²	51.6	67%	0.669	28%	0.279	S	S	*	.	S	Bend	trans	-71.7	-19.8	175.6	29.4	-35.4	0	0	0	112.4	S113 K114	P99-S113 WeakPolarHBondContact O-CA 3.42Å; P99-K114 PolarHBondContact O-N 3.04Å
100	T	96.9	Very high	95.1	Very high	53 Å²	53	52 Å²	52	33%	0.325	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.7	-177.8	-61.2	0	0	0	0	109	N98 V112 S113	N98-T100 WeakPolarHBondContact CB-O 3.47Å; N98-T100 PolarHBondContact O-N 2.84Å; T100-V112 WeakPolarHBondContact CA-O 3.19Å; T100-S113 WeakPolarHBondContact OG1-CB 3.2Å; T100-S113 PolarHBondContact OG1-OG 3.44Å
101	V	97.4	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.5	169.6	-64.5	0	0	0	0	109	F65 A87 L90 F91 F103 G111 V112	F65-V101 HydrophobicContact CD2-CB 4.36Å; F65-V101 HydrophobicContact CE2-CB 4.27Å; F65-V101 HydrophobicContact CE2-CG1 3.98Å; A87-V101 HydrophobicContact CB-CG2 4.15Å; L90-V101 HydrophobicContact CD1-CB 4.33Å; L90-V101 HydrophobicContact CD1-CG1 4.22Å; L90-V101 HydrophobicContact CD1-CG2 4.2Å; F91-V101 HydrophobicContact CE1-CG1 3.87Å; F91-V101 HydrophobicContact CE2-CG2 4.14Å; F91-V101 HydrophobicContact CZ-CB 4.38Å; F91-V101 HydrophobicContact CZ-CG1 3.85Å; F91-V101 HydrophobicContact CZ-CG2 3.89Å; V101-F103 HydrophobicContact CG2-CE2 4.03Å; V101-F103 HydrophobicContact CG2-CZ 4.05Å; V101-G111 WeakPolarHBondContact O-CA 3.05Å; V101-V112 HydrophobicContact CG2-CB 4.28Å; V101-V112 PolarHBondContact N-O 3.26Å; V101-V112 PolarHBondContact O-N 3.38Å
102	V	97.3	Very high	95	Very high	32 Å²	32	52.5 Å²	52.5	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.3	176.1	-179	0	0	0	0	109.2	T63 R64 F65 D109 L110	T63-V102 PolarHBondContact O-N 2.98Å; R64-V102 CarbonylContact C-O 3.6Å; R64-V102 VanDerWaalsContact CA-O 3.27Å; R64-V102 WeakPolarHBondContact CA-O 3.26Å; R64-V102 HydrophobicContact CG-CB 4.31Å; F65-V102 PolarHBondContact N-O 2.62Å; V102-D109 HydrophobicContact CG1-CB 3.84Å; V102-L110 WeakPolarHBondContact CA-O 3.46Å
103	F	97.3	Very high	95.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.8	174.7	-64.4	-66.3	0	0	0	110.6	I50 F65 L67 T83 A87 L90 V101 T105 D109 L110 V112	I50-F103 HydrophobicContact CG2-CE1 4.19Å; F65-F103 HydrophobicContact CB-CD1 3.87Å; F65-F103 HydrophobicContact CB-CE1 4.02Å; F65-F103 HydrophobicContact CD2-CE1 4.39Å; F65-F103 CarbonylContact O-C 3.53Å; F65-F103 VanDerWaalsContact O-CA 3.24Å; F65-F103 WeakPolarHBondContact O-CA 3.41Å; L67-F103 HydrophobicContact CB-CB 3.77Å; L67-F103 HydrophobicContact CB-CD1 3.68Å; L67-F103 HydrophobicContact CB-CG 3.9Å; L67-F103 HydrophobicContact CD2-CB 3.87Å; L67-F103 HydrophobicContact CD2-CD1 3.78Å; L67-F103 HydrophobicContact CD2-CD2 3.73Å; L67-F103 HydrophobicContact CD2-CE1 4.2Å; L67-F103 HydrophobicContact CD2-CE2 4.14Å; L67-F103 HydrophobicContact CD2-CG 3.51Å; L67-F103 HydrophobicContact CD2-CZ 4.36Å; L67-F103 HydrophobicContact CG-CB 4.49Å; L67-F103 HydrophobicContact CG-CD1 4.27Å; L67-F103 HydrophobicContact CG-CG 4.35Å; T83-F103 HydrophobicContact CG2-CD2 3.75Å; T83-F103 HydrophobicContact CG2-CE2 4.05Å; A87-F103 HydrophobicContact CB-CE2 4.12Å; A87-F103 HydrophobicContact CB-CZ 4.37Å; L90-F103 HydrophobicContact CD1-CE1 3.71Å; L90-F103 HydrophobicContact CD1-CZ 3.7Å; V101-F103 HydrophobicContact CG2-CE2 4.03Å; V101-F103 HydrophobicContact CG2-CZ 4.05Å; F103-T105 HydrophobicContact CB-CG2 3.93Å; F103-D109 CarbonylContact O-C 3.55Å; F103-D109 WeakPolarHBondContact O-CA 3.45Å; F103-L110 PolarHBondContact N-O 3.15Å; F103-L110 PolarHBondContact O-N 2.94Å; F103-V112 HydrophobicContact CD2-CG2 4.09Å; F103-V112 HydrophobicContact CE2-CG2 3.89Å
104	E	95.9	Very high	94.9	Very high	71 Å²	71	53 Å²	53	33%	0.332	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.9	166.2	-176.5	-174.6	119.3	0	0	108.6	I53 F65 R66 L67	I53-E104 HydrophobicContact CD1-CB 3.94Å; F65-E104 PolarHBondContact O-N 3.16Å; R66-E104 IonicContact CZ-OE1 3.4Å; R66-E104 IonicContact NE-OE1 2.98Å; R66-E104 IonicContact NH2-OE1 3.44Å; R66-E104 PolarHBondContact NH2-OE1 2.98Å; L67-E104 PolarHBondContact N-O 2.9Å
105	T	94.8	Very high	94.6	Very high	18 Å²	18	55.1 Å²	55.1	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	169.2	-171.1	83	0	0	0	0	110.3	L67 W69 F103 S107 G108 L110	L67-T105 HydrophobicContact CB-CG2 4.21Å; W69-T105 VanDerWaalsContact CH2-CB 3.41Å; W69-T105 HydrophobicContact CH2-CG2 3.2Å; W69-T105 HydrophobicContact CZ2-CG2 3.86Å; W69-T105 HydrophobicContact CZ3-CG2 3.96Å; F103-T105 HydrophobicContact CB-CG2 3.93Å; T105-S107 PolarHBondContact O-N 2.78Å; T105-S107 PolarHBondContact OG1-N 2.84Å; T105-S107 VanDerWaalsContact OG1-N 3.15Å; T105-G108 WeakPolarHBondContact CB-O 3.35Å; T105-G108 PolarHBondContact N-O 2.83Å; T105-G108 PolarHBondContact O-N 2.84Å; T105-G108 PolarHBondContact OG1-N 3.24Å; T105-G108 PolarHBondContact OG1-O 3.31Å; T105-L110 HydrophobicContact CG2-CD1 3.95Å; T105-L110 HydrophobicContact CG2-CG 4.19Å
106	R	90.1	Very high	94	Very high	145 Å²	145	59.4 Å²	59.4	55%	0.547	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.7	173.8	-75.9	-172.6	171.2	164.3	8	113.9	E75 N77	E75-R106 IonicContact OE1-CZ 2.86Å; E75-R106 IonicContact OE1-NE 2.9Å; E75-R106 IonicContact OE1-NH1 3.28Å; E75-R106 IonicContact OE1-NH2 3.35Å; E75-R106 IonicContact OE2-CZ 3.18Å; E75-R106 IonicContact OE2-NE 2.67Å; E75-R106 IonicContact OE2-NH1 2.76Å; E75-R106 PolarHBondContact OE2-NH1 2.72Å; E75-R106 IonicContact OE2-NH2 3.54Å; E75-R106 PolarHBondContact OE2-NH2 3.37Å; N77-R106 HydrophobicContact CB-CB 4.36Å; N77-R106 WeakPolarHBondContact OD1-CD 3.26Å
107	S	86.1	Confident	93.4	Very high	64 Å²	64	65.5 Å²	65.5	45%	0.448	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	16.2	176	-74	0	0	0	0	113.3	N77 T105	N77-S107 WeakPolarHBondContact CB-OG 3.39Å; N77-S107 WeakPolarHBondContact O-CB 3.47Å; N77-S107 PolarHBondContact O-OG 3.05Å; T105-S107 PolarHBondContact O-N 2.78Å; T105-S107 PolarHBondContact OG1-N 2.84Å; T105-S107 VanDerWaalsContact OG1-N 3.15Å
108	G	89.4	Confident	93.2	Very high	35 Å²	35	61 Å²	61	36%	0.361	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91	-165.8	-178.1	0	0	0	0	0	113	T105	T105-G108 WeakPolarHBondContact CB-O 3.35Å; T105-G108 PolarHBondContact N-O 2.83Å; T105-G108 PolarHBondContact O-N 2.84Å; T105-G108 PolarHBondContact OG1-N 3.24Å; T105-G108 PolarHBondContact OG1-O 3.31Å
109	D	93.6	Very high	93.3	Very high	83 Å²	83	59.6 Å²	59.6	44%	0.444	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.5	-175.3	-77.3	1.2	0	0	0	112.4	R64 V102 F103	R64-D109 IonicContact CZ-OD2 3.68Å; R64-D109 IonicContact NH1-OD2 3.89Å; R64-D109 PolarHBondContact NH1-OD2 2.93Å; R64-D109 IonicContact NH2-OD1 2.81Å; R64-D109 PolarHBondContact NH2-OD1 3.41Å; R64-D109 VanDerWaalsContact NH2-OD1 3.09Å; R64-D109 IonicContact NH2-OD2 2.71Å; R64-D109 PolarHBondContact NH2-OD2 3.31Å; V102-D109 HydrophobicContact CG1-CB 3.84Å; F103-D109 CarbonylContact O-C 3.55Å; F103-D109 WeakPolarHBondContact O-CA 3.45Å
110	L	92.6	Very high	93.4	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.052	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115	172.9	-58	177.6	0	0	0	110.5	W69 L78 T83 V102 F103 T105 F123	W69-L110 HydrophobicContact CH2-CD1 3.78Å; W69-L110 HydrophobicContact CZ2-CD1 4.02Å; L78-L110 HydrophobicContact CD1-CD1 3.45Å; L78-L110 VanDerWaalsContact CD1-CD1 3.45Å; L78-L110 HydrophobicContact CD1-CD2 4.03Å; L78-L110 HydrophobicContact CD1-CG 4.3Å; T83-L110 HydrophobicContact CG2-CB 4.41Å; T83-L110 HydrophobicContact CG2-CD1 4.33Å; V102-L110 WeakPolarHBondContact CA-O 3.46Å; F103-L110 PolarHBondContact N-O 3.15Å; F103-L110 PolarHBondContact O-N 2.94Å; T105-L110 HydrophobicContact CG2-CD1 3.95Å; T105-L110 HydrophobicContact CG2-CG 4.19Å; L110-F123 HydrophobicContact CD1-CE1 4.38Å; L110-F123 HydrophobicContact CD2-CD1 4.23Å; L110-F123 HydrophobicContact CD2-CE1 3.87Å; L110-F123 HydrophobicContact CD2-CZ 4.48Å
111	G	95.6	Very high	93.4	Very high	20 Å²	20	53.2 Å²	53.2	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.8	176.2	0	0	0	0	0	112	V101 D122	V101-G111 WeakPolarHBondContact O-CA 3.05Å; G111-D122 PolarHBondContact O-N 3.18Å
112	V	97.6	Very high	93.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.6	170.8	-165.3	0	0	0	0	110.3	T83 L84 A87 T100 V101 F103 I120 M121	T83-V112 HydrophobicContact CG2-CG2 3.7Å; L84-V112 HydrophobicContact CD1-CG1 4.42Å; A87-V112 HydrophobicContact CB-CB 3.65Å; A87-V112 HydrophobicContact CB-CG1 3.45Å; A87-V112 VanDerWaalsContact CB-CG1 3.45Å; A87-V112 HydrophobicContact CB-CG2 4.01Å; T100-V112 WeakPolarHBondContact CA-O 3.19Å; V101-V112 HydrophobicContact CG2-CB 4.28Å; V101-V112 PolarHBondContact N-O 3.26Å; V101-V112 PolarHBondContact O-N 3.38Å; F103-V112 HydrophobicContact CD2-CG2 4.09Å; F103-V112 HydrophobicContact CE2-CG2 3.89Å; V112-I120 CarbonylContact C-O 3.58Å; V112-I120 VanDerWaalsContact CA-O 3.28Å; V112-I120 WeakPolarHBondContact CA-O 3.18Å; V112-I120 WeakPolarHBondContact CG1-O 3.22Å; V112-M121 HydrophobicContact CG1-CG 4.16Å; V112-M121 HydrophobicContact CG2-CG 4Å
113	S	97.1	Very high	92.8	Very high	37 Å²	37	53.7 Å²	53.7	26%	0.259	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.8	177.2	-44.9	0	0	0	0	111.3	P99 T100 Y119 I120	P99-S113 WeakPolarHBondContact O-CA 3.42Å; T100-S113 WeakPolarHBondContact OG1-CB 3.2Å; T100-S113 PolarHBondContact OG1-OG 3.44Å; S113-Y119 WeakPolarHBondContact O-CA 3.42Å; S113-I120 PolarHBondContact N-O 2.65Å; S113-I120 WeakPolarHBondContact O-CG2 3.42Å; S113-I120 PolarHBondContact O-N 3.07Å
114	K	93.5	Very high	92.5	Very high	126 Å²	126	56.5 Å²	56.5	55%	0.548	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.2	170.7	-167.2	173.8	-177.5	178.9	0	109.8	F91 P99 Y119	F91-K114 HydrophobicContact CE2-CB 4.47Å; P99-K114 PolarHBondContact O-N 3.04Å; K114-Y119 HydrophobicContact CB-CD1 4.49Å; K114-Y119 HydrophobicContact CG-CD1 4.43Å; K114-Y119 HydrophobicContact CG-CE1 4.18Å
115	R	91	Very high	92.4	Very high	92 Å²	92	54.4 Å²	54.4	35%	0.347	28%	0.281	S	S	.	.			trans	-112.1	178.4	169.9	-75	-176.2	169.5	-173.5	1.7	109.6	E117 G118 I120 A274	R115-E117 VanDerWaalsContact CB-O 3.28Å; R115-E117 WeakPolarHBondContact CB-O 3.43Å; R115-E117 PolarHBondContact O-N 3.28Å; R115-G118 PolarHBondContact N-O 3.01Å; R115-I120 HydrophobicContact CG-CB 4.21Å; R115-I120 HydrophobicContact CG-CG2 3.91Å; R115-I120 VanDerWaalsContact NE-CB 3.31Å; R115-A274 VanDerWaalsContact NH1-CB 3.34Å
116	K	84.1	Confident	92.4	Very high	201 Å²	201	54.6 Å²	54.6	87%	0.874	28%	0.281	S	S	*	.	S	Bend	trans	-55.9	-44	173.5	-175.6	-173.8	172.2	-162.5	0	110.6
117	E	84.8	Confident	92.7	Very high	138 Å²	138	51.3 Å²	51.3	65%	0.645	28%	0.278	S	S	*	.	S	Bend	trans	-126.7	134	173.5	-72.8	157.6	-145.7	0	0	107.3	R115	R115-E117 VanDerWaalsContact CB-O 3.28Å; R115-E117 WeakPolarHBondContact CB-O 3.43Å; R115-E117 PolarHBondContact O-N 3.28Å
118	G	92.8	Very high	93.2	Very high	16 Å²	16	49.2 Å²	49.2	17%	0.165	26%	0.263	C	S	.	.	S	Bend	trans	63.3	-155.1	-179.6	0	0	0	0	0	116.2	R115 G275 D276	R115-G118 PolarHBondContact N-O 3.01Å; G118-G275 WeakPolarHBondContact CA-O 3.25Å; G118-D276 WeakPolarHBondContact CA-OD1 3.24Å; G118-D276 PolarHBondContact N-OD1 2.86Å
119	Y	96.7	Very high	93.6	Very high	7 Å²	7	50.8 Å²	50.8	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.5	-175.5	-52.8	-82.1	0	0	0	110.6	A88 F91 Q92 S113 K114 A274 G275 V277	A88-Y119 HydrophobicContact CB-CD2 4.21Å; A88-Y119 HydrophobicContact CB-CE2 3.46Å; A88-Y119 VanDerWaalsContact CB-CE2 3.46Å; F91-Y119 HydrophobicContact CB-CE1 4.07Å; F91-Y119 AromaticContact CD2-CD1 3.67Å; F91-Y119 HydrophobicContact CD2-CD1 3.67Å; F91-Y119 AromaticContact CD2-CE1 3.35Å; F91-Y119 HydrophobicContact CD2-CE1 3.35Å; F91-Y119 HydrophobicContact CE2-CD1 4.01Å; F91-Y119 HydrophobicContact CE2-CE1 4.15Å; F91-Y119 HydrophobicContact CG-CE1 4.08Å; Q92-Y119 VanDerWaalsContact CG-OH 3.26Å; Q92-Y119 WeakPolarHBondContact CG-OH 3.19Å; Q92-Y119 PolarHBondContact NE2-OH 3.01Å; S113-Y119 WeakPolarHBondContact O-CA 3.42Å; K114-Y119 HydrophobicContact CB-CD1 4.49Å; K114-Y119 HydrophobicContact CG-CD1 4.43Å; K114-Y119 HydrophobicContact CG-CE1 4.18Å; Y119-A274 WeakPolarHBondContact O-CA 3.27Å; Y119-A274 VanDerWaalsContact O-CB 3.24Å; Y119-A274 WeakPolarHBondContact O-CB 3.29Å; Y119-G275 PolarHBondContact N-O 3.43Å; Y119-G275 PolarHBondContact O-N 3.28Å; Y119-G275 VanDerWaalsContact O-N 3.12Å; Y119-V277 HydrophobicContact CD2-CB 4.28Å; Y119-V277 HydrophobicContact CD2-CG2 3.79Å; Y119-V277 HydrophobicContact CE2-CB 4.04Å; Y119-V277 HydrophobicContact CE2-CG2 4.05Å
120	I	97.1	Very high	93.9	Very high	21 Å²	21	53 Å²	53	11%	0.108	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.7	-179.7	-174.2	-156.3	0	0	0	110	V112 S113 R115 N272 A274	V112-I120 CarbonylContact C-O 3.58Å; V112-I120 VanDerWaalsContact CA-O 3.28Å; V112-I120 WeakPolarHBondContact CA-O 3.18Å; V112-I120 WeakPolarHBondContact CG1-O 3.22Å; S113-I120 PolarHBondContact N-O 2.65Å; S113-I120 WeakPolarHBondContact O-CG2 3.42Å; S113-I120 PolarHBondContact O-N 3.07Å; R115-I120 HydrophobicContact CG-CB 4.21Å; R115-I120 HydrophobicContact CG-CG2 3.91Å; R115-I120 VanDerWaalsContact NE-CB 3.31Å; I120-N272 HydrophobicContact CD1-CB 3.7Å; I120-N272 VanDerWaalsContact CD1-CG 3.48Å; I120-N272 HydrophobicContact CG1-CB 3.95Å; I120-A274 HydrophobicContact CB-CB 4.11Å; I120-A274 HydrophobicContact CG1-CB 4.24Å
121	M	95.8	Very high	94.1	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.1	172.8	-58.8	178.8	-70	0	0	110.3	F11 T83 L84 V112 F123 N272 I273	F11-M121 HydrophobicContact CE1-CE 4.11Å; F11-M121 HydrophobicContact CZ-CE 3.61Å; T83-M121 HydrophobicContact CG2-SD 4.15Å; L84-M121 HydrophobicContact CB-CE 4.11Å; L84-M121 HydrophobicContact CB-SD 3.88Å; L84-M121 HydrophobicContact CD1-CE 3.89Å; L84-M121 HydrophobicContact CD1-CG 3.68Å; L84-M121 HydrophobicContact CD1-SD 3.88Å; L84-M121 HydrophobicContact CG-CE 4.46Å; V112-M121 HydrophobicContact CG1-CG 4.16Å; V112-M121 HydrophobicContact CG2-CG 4Å; M121-F123 HydrophobicContact CB-CD2 3.81Å; M121-F123 HydrophobicContact CB-CE2 3.41Å; M121-F123 VanDerWaalsContact CB-CE2 3.41Å; M121-F123 HydrophobicContact CB-CZ 4.46Å; M121-F123 HydrophobicContact CE-CE2 3.89Å; M121-F123 HydrophobicContact CG-CE2 4.14Å; M121-F123 HydrophobicContact SD-CE2 3.72Å; M121-F123 HydrophobicContact SD-CZ 4.18Å; M121-N272 CarbonylContact O-C 3.42Å; M121-N272 WeakPolarHBondContact O-CA 3.32Å; M121-I273 HydrophobicContact CE-CG2 4.41Å; M121-I273 PolarHBondContact N-O 3.01Å; M121-I273 PolarHBondContact O-N 2.73Å
122	D	91.8	Very high	94.2	Very high	40 Å²	40	58.8 Å²	58.8	21%	0.214	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.1	175.3	-173.2	-6.8	0	0	0	110.5	G111 R266 R270	G111-D122 PolarHBondContact O-N 3.18Å; D122-R266 IonicContact OD2-NH1 3.67Å; D122-R266 PolarHBondContact OD2-NH1 3.23Å; D122-R270 PolarHBondContact O-NH2 2.72Å; D122-R270 IonicContact OD1-CZ 3.69Å; D122-R270 IonicContact OD1-NE 3.36Å; D122-R270 PolarHBondContact OD1-NE 2.91Å; D122-R270 IonicContact OD1-NH2 2.97Å; D122-R270 PolarHBondContact OD1-NH2 2.83Å; D122-R270 IonicContact OD2-CZ 3.64Å; D122-R270 IonicContact OD2-NE 3.93Å; D122-R270 PolarHBondContact OD2-NE 3.18Å; D122-R270 IonicContact OD2-NH2 3.81Å
123	F	90.4	Very high	94.1	Very high	1 Å²	1	62 Å²	62	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	153.7	179.8	-77.9	-86	0	0	0	112.7	L78 L110 M121 T234 R270 I271 I273	L78-F123 HydrophobicContact CD1-CE1 3.8Å; L78-F123 HydrophobicContact CD2-CD1 4.44Å; L78-F123 HydrophobicContact CD2-CE1 4.12Å; L78-F123 HydrophobicContact CG-CE1 4.2Å; L110-F123 HydrophobicContact CD1-CE1 4.38Å; L110-F123 HydrophobicContact CD2-CD1 4.23Å; L110-F123 HydrophobicContact CD2-CE1 3.87Å; L110-F123 HydrophobicContact CD2-CZ 4.48Å; M121-F123 HydrophobicContact CB-CD2 3.81Å; M121-F123 HydrophobicContact CB-CE2 3.41Å; M121-F123 VanDerWaalsContact CB-CE2 3.41Å; M121-F123 HydrophobicContact CB-CZ 4.46Å; M121-F123 HydrophobicContact CE-CE2 3.89Å; M121-F123 HydrophobicContact CG-CE2 4.14Å; M121-F123 HydrophobicContact SD-CE2 3.72Å; M121-F123 HydrophobicContact SD-CZ 4.18Å; F123-T234 HydrophobicContact CB-CG2 3.71Å; F123-T234 HydrophobicContact CD1-CG2 4.37Å; F123-T234 HydrophobicContact CG-CG2 4.11Å; F123-R270 CarbonylContact O-C 3.53Å; F123-R270 WeakPolarHBondContact O-CA 3.36Å; F123-R270 WeakPolarHBondContact O-CB 3.35Å; F123-I271 HydrophobicContact CB-CG2 4.08Å; F123-I271 PolarHBondContact N-O 2.96Å; F123-I271 PolarHBondContact O-N 2.75Å; F123-I273 HydrophobicContact CD2-CD1 3.95Å; F123-I273 HydrophobicContact CD2-CG1 4.37Å; F123-I273 HydrophobicContact CG-CD1 4.47Å
124	P	91.1	Very high	94.1	Very high	60 Å²	60	65.9 Å²	65.9	39%	0.39	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	144.7	163.4	29.9	-34.4	0	0	0	110.6	N126 T234	P124-N126 PolarHBondContact O-ND2 3.33Å; P124-T234 WeakPolarHBondContact O-CB 3.36Å; P124-T234 WeakPolarHBondContact O-CG2 3.47Å
125	L	93.8	Very high	94.3	Very high	27 Å²	27	64.1 Å²	64.1	14%	0.141	32%	0.324	C	S	.	.			trans	-68	147.7	163.7	-73.7	167.4	0	0	0	109.4	V265 G269 I271	L125-V265 HydrophobicContact CD1-CG1 3.86Å; L125-V265 HydrophobicContact CD2-CG1 4.43Å; L125-V265 HydrophobicContact CD2-CG2 4.41Å; L125-G269 WeakPolarHBondContact CB-O 3.26Å; L125-G269 PolarHBondContact N-O 3.43Å; L125-I271 HydrophobicContact CD2-CB 3.67Å; L125-I271 HydrophobicContact CD2-CD1 4.22Å; L125-I271 HydrophobicContact CD2-CG1 4.46Å; L125-I271 HydrophobicContact CD2-CG2 3.94Å; L125-I271 HydrophobicContact CG-CB 4.2Å; L125-I271 HydrophobicContact CG-CG2 4.42Å
126	N	94.6	Very high	94.6	Very high	22 Å²	22	60.1 Å²	60.1	12%	0.118	31%	0.309	C	S	.	.			trans	-126.2	73.7	175	-70.5	-75.9	0	0	0	109.5	P124 S155 T158 T234 V235	P124-N126 PolarHBondContact O-ND2 3.33Å; N126-S155 PolarHBondContact O-OG 3.02Å; N126-T158 HydrophobicContact CB-CG2 3.69Å; N126-T158 WeakPolarHBondContact OD1-CG2 3.35Å; N126-T234 PolarHBondContact N-O 2.94Å; N126-T234 VanDerWaalsContact ND2-CB 3.35Å; N126-T234 WeakPolarHBondContact ND2-CB 3.39Å; N126-T234 PolarHBondContact ND2-OG1 3.01Å; N126-V235 HydrophobicContact CB-CG2 3.98Å
127	P	96.8	Very high	95.2	Very high	75 Å²	75	56.6 Å²	56.6	49%	0.487	29%	0.294	S	S	.	.			trans	-57.5	128.2	-172.8	-23.1	33.9	0	0	0	111.9
128	P	97.9	Very high	95.8	Very high	20 Å²	20	54.3 Å²	54.3	13%	0.13	29%	0.286	C	S	.	.			trans	-84.3	153.2	176.7	35.3	-35	0	0	0	111.5	L153 M162 V235	P128-L153 HydrophobicContact CB-CB 3.77Å; P128-L153 HydrophobicContact CB-CD2 4.34Å; P128-L153 HydrophobicContact CG-CB 4.26Å; P128-L153 HydrophobicContact CG-CD2 4.01Å; P128-M162 HydrophobicContact CG-CE 3.98Å; P128-V235 HydrophobicContact CB-CG1 3.71Å; P128-V235 HydrophobicContact CG-CG1 3.68Å
129	T	98.1	Very high	96.1	Very high	68 Å²	68	53.7 Å²	53.7	42%	0.417	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.6	175.2	56.7	0	0	0	0	110.8	K131 L153 L154	T129-K131 WeakPolarHBondContact OG1-CE 3.48Å; T129-K131 PolarHBondContact OG1-NZ 3.03Å; T129-L153 CarbonylContact O-C 3.48Å; T129-L153 WeakPolarHBondContact O-CA 3.24Å; T129-L154 PolarHBondContact N-O 3.43Å; T129-L154 PolarHBondContact O-N 3.4Å; T129-L154 PolarHBondContact OG1-O 2.92Å
130	K	98.3	Very high	96.2	Very high	131 Å²	131	54.3 Å²	54.3	57%	0.57	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	141.6	178.1	-169.2	167.1	-173.3	153.1	0	111.4	E151	K130-E151 IonicContact NZ-OE1 3.21Å; K130-E151 PolarHBondContact NZ-OE1 3.46Å
131	K	98.2	Very high	96.2	Very high	63 Å²	63	60.3 Å²	60.3	27%	0.274	31%	0.308	S	S	.	.			trans	-127.9	159.3	178.6	-59.4	-61.2	171.8	-163.3	0	110.9	T129 F136 V152 L154	T129-K131 WeakPolarHBondContact OG1-CE 3.48Å; T129-K131 PolarHBondContact OG1-NZ 3.03Å; K131-F136 HydrophobicContact CB-CD2 4.09Å; K131-F136 HydrophobicContact CB-CE2 3.68Å; K131-F136 HydrophobicContact CD-CE2 4.48Å; K131-F136 HydrophobicContact CG-CE2 3.77Å; K131-F136 HydrophobicContact CG-CZ 4.5Å; K131-V152 PolarHBondContact N-O 2.69Å; K131-L154 HydrophobicContact CD-CB 4.44Å; K131-L154 HydrophobicContact CG-CB 3.87Å
132	D	97.1	Very high	96.3	Very high	87 Å²	87	61.5 Å²	61.5	47%	0.465	32%	0.318	S	S	.	.			trans	-68.8	138.9	170.2	-164.1	-54.1	0	0	0	109.2	N134 D135	D132-N134 PolarHBondContact O-N 2.68Å; D132-N134 VanDerWaalsContact OD1-CB 3.29Å; D132-N134 WeakPolarHBondContact OD1-CB 3.18Å; D132-N134 PolarHBondContact OD1-N 3.13Å; D132-N134 PolarHBondContact OD1-ND2 3.09Å; D132-D135 PolarHBondContact O-N 2.83Å
133	H	96.2	Very high	96.6	Very high	68 Å²	68	59.7 Å²	59.7	32%	0.315	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.4	-32.2	178.7	-68.2	-163.1	0	0	0	111.1	D135 F136 K137 I140 V152	H133-D135 PolarHBondContact O-N 3.25Å; H133-F136 CarbonylContact O-C 3.6Å; H133-F136 PolarHBondContact O-N 3.44Å; H133-K137 PolarHBondContact O-N 2.88Å; H133-K137 VanDerWaalsContact O-N 3.09Å; H133-I140 HydrophobicContact CB-CD1 4.25Å; H133-I140 WeakPolarHBondContact O-CD1 3.39Å; H133-V152 VanDerWaalsContact CD2-CG2 3.47Å; H133-V152 WeakPolarHBondContact CD2-CG2 3.44Å
134	N	96.7	Very high	97	Very high	119 Å²	119	59.8 Å²	59.8	64%	0.636	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-64.1	-30.9	-179.4	-65.8	-55	0	0	0	112.4	D132 F136	D132-N134 PolarHBondContact O-N 2.68Å; D132-N134 VanDerWaalsContact OD1-CB 3.29Å; D132-N134 WeakPolarHBondContact OD1-CB 3.18Å; D132-N134 PolarHBondContact OD1-N 3.13Å; D132-N134 PolarHBondContact OD1-ND2 3.09Å; N134-F136 PolarHBondContact O-N 2.96Å
135	D	96.7	Very high	97.3	Very high	89 Å²	89	58.7 Å²	58.7	48%	0.476	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.6	179	-68.5	-20.1	0	0	0	112.9	D132 H133	D132-D135 PolarHBondContact O-N 2.83Å; H133-D135 PolarHBondContact O-N 3.25Å
136	F	97.4	Very high	97.3	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.031	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-128.4	20.3	-175	-61	-81	0	0	0	112.7	K131 H133 N134 D138 V139 I140 V152 L154 L161 V193	K131-F136 HydrophobicContact CB-CD2 4.09Å; K131-F136 HydrophobicContact CB-CE2 3.68Å; K131-F136 HydrophobicContact CD-CE2 4.48Å; K131-F136 HydrophobicContact CG-CE2 3.77Å; K131-F136 HydrophobicContact CG-CZ 4.5Å; H133-F136 CarbonylContact O-C 3.6Å; H133-F136 PolarHBondContact O-N 3.44Å; N134-F136 PolarHBondContact O-N 2.96Å; F136-D138 PolarHBondContact O-N 2.68Å; F136-D138 VanDerWaalsContact O-N 3.11Å; F136-V139 PolarHBondContact O-N 3.01Å; F136-V139 VanDerWaalsContact O-N 3.1Å; F136-I140 HydrophobicContact CB-CD1 4.14Å; F136-I140 HydrophobicContact CB-CG1 4.3Å; F136-I140 VanDerWaalsContact O-CG1 3.26Å; F136-I140 WeakPolarHBondContact O-CG1 3.34Å; F136-I140 PolarHBondContact O-N 2.81Å; F136-V152 HydrophobicContact CB-CG1 4.43Å; F136-V152 HydrophobicContact CD2-CG1 4.08Å; F136-V152 HydrophobicContact CG-CG1 4.46Å; F136-L154 HydrophobicContact CZ-CD2 4.15Å; F136-L161 HydrophobicContact CB-CD2 4.01Å; F136-L161 HydrophobicContact CD1-CD1 3.75Å; F136-L161 HydrophobicContact CD1-CD2 3.74Å; F136-L161 HydrophobicContact CD1-CG 4.39Å; F136-L161 HydrophobicContact CD2-CD1 3.96Å; F136-L161 HydrophobicContact CE1-CD1 3.84Å; F136-L161 HydrophobicContact CE1-CD2 4.48Å; F136-L161 HydrophobicContact CE2-CD1 4.07Å; F136-L161 HydrophobicContact CG-CD1 3.81Å; F136-L161 HydrophobicContact CG-CD2 3.95Å; F136-L161 HydrophobicContact CZ-CD1 4Å; F136-V193 HydrophobicContact CD1-CG2 4.05Å; F136-V193 HydrophobicContact CE1-CG2 3.74Å
137	K	97.4	Very high	97.5	Very high	127 Å²	127	67.2 Å²	67.2	55%	0.552	35%	0.352	S	S	*	.	H	α-helix	trans	-51.7	-40.3	-173.7	72.6	-175.7	-175.4	179	0	113.4	H133 K141	H133-K137 PolarHBondContact O-N 2.88Å; H133-K137 VanDerWaalsContact O-N 3.09Å; K137-K141 WeakPolarHBondContact O-CB 3.37Å; K137-K141 PolarHBondContact O-N 3.07Å
138	D	97.9	Very high	97.5	Very high	90 Å²	90	66.7 Å²	66.7	48%	0.481	35%	0.349	S	S	.	.	H	α-helix	trans	-75.4	-39.7	-175.8	-61.7	-45	0	0	0	110.7	F136 K141 A142	F136-D138 PolarHBondContact O-N 2.68Å; F136-D138 VanDerWaalsContact O-N 3.11Å; D138-K141 PolarHBondContact O-N 3.21Å; D138-A142 WeakPolarHBondContact O-CB 3.46Å; D138-A142 PolarHBondContact O-N 2.67Å
139	V	98.2	Very high	97.5	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-44.2	173.9	-173.5	0	0	0	0	110.8	F136 A142 A143 L161 L184 S187 D188 V196	F136-V139 PolarHBondContact O-N 3.01Å; F136-V139 VanDerWaalsContact O-N 3.1Å; V139-A142 PolarHBondContact O-N 2.83Å; V139-A143 VanDerWaalsContact O-CB 3.24Å; V139-A143 WeakPolarHBondContact O-CB 3.22Å; V139-A143 PolarHBondContact O-N 3.09Å; V139-L161 HydrophobicContact CB-CD2 4.1Å; V139-L161 HydrophobicContact CG1-CD2 3.62Å; V139-L184 HydrophobicContact CG1-CD1 4.02Å; V139-S187 WeakPolarHBondContact CA-OG 3.41Å; V139-D188 HydrophobicContact CG2-CB 4.01Å; V139-V196 HydrophobicContact CG1-CG2 3.65Å
140	I	98.4	Very high	97.5	Very high	19 Å²	19	67.6 Å²	67.6	10%	0.097	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-49.8	177.4	-65.9	161.5	0	0	0	110	H133 F136 A142 A143 V144 V149 V152 I163	H133-I140 HydrophobicContact CB-CD1 4.25Å; H133-I140 WeakPolarHBondContact O-CD1 3.39Å; F136-I140 HydrophobicContact CB-CD1 4.14Å; F136-I140 HydrophobicContact CB-CG1 4.3Å; F136-I140 VanDerWaalsContact O-CG1 3.26Å; F136-I140 WeakPolarHBondContact O-CG1 3.34Å; F136-I140 PolarHBondContact O-N 2.81Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 2.94Å; I140-A143 PolarHBondContact O-N 3.45Å; I140-V144 HydrophobicContact CG2-CG2 3.79Å; I140-V144 VanDerWaalsContact O-CG2 3.24Å; I140-V144 WeakPolarHBondContact O-CG2 3.38Å; I140-V144 PolarHBondContact O-N 2.8Å; I140-V149 HydrophobicContact CG2-CG2 3.85Å; I140-V152 HydrophobicContact CD1-CG2 3.6Å; I140-V152 HydrophobicContact CG1-CG2 4.19Å; I140-I163 HydrophobicContact CB-CD1 4.48Å; I140-I163 HydrophobicContact CG1-CD1 4.07Å; I140-I163 HydrophobicContact CG1-CG1 4.43Å
141	K	98.2	Very high	97.5	Very high	148 Å²	148	63.1 Å²	63.1	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-60.1	-42.2	179	-174.7	177.5	179.6	-178.2	0	111.7	K137 D138 G145	K137-K141 WeakPolarHBondContact O-CB 3.37Å; K137-K141 PolarHBondContact O-N 3.07Å; D138-K141 PolarHBondContact O-N 3.21Å; K141-G145 VanDerWaalsContact O-CA 3.23Å; K141-G145 WeakPolarHBondContact O-CA 3.38Å; K141-G145 PolarHBondContact O-N 3.18Å
142	A	98.1	Very high	97.5	Very high	26 Å²	26	60.1 Å²	60.1	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-68.5	-36.6	178.4	0	0	0	0	0	113.1	D138 V139 I140 L184	D138-A142 WeakPolarHBondContact O-CB 3.46Å; D138-A142 PolarHBondContact O-N 2.67Å; V139-A142 PolarHBondContact O-N 2.83Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 2.94Å; A142-L184 HydrophobicContact CB-CB 4.41Å; A142-L184 HydrophobicContact CB-CD1 3.98Å
143	A	98.1	Very high	97.6	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-83.8	-39.8	-176.3	0	0	0	0	0	113.8	V139 I140 I163 V179 L184 V196 V198	V139-A143 VanDerWaalsContact O-CB 3.24Å; V139-A143 WeakPolarHBondContact O-CB 3.22Å; V139-A143 PolarHBondContact O-N 3.09Å; I140-A143 PolarHBondContact O-N 3.45Å; A143-I163 HydrophobicContact CB-CD1 3.88Å; A143-V179 VanDerWaalsContact O-CG2 3.3Å; A143-V179 WeakPolarHBondContact O-CG2 3.28Å; A143-L184 HydrophobicContact CB-CD1 4.14Å; A143-V196 HydrophobicContact CB-CG1 3.96Å; A143-V198 HydrophobicContact CB-CG2 4.46Å
144	V	98	Very high	97.7	Very high	4 Å²	4	54 Å²	54	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-129.8	-2.2	-171.3	-55.8	0	0	0	0	114.3	I140 N146 H147 V149 I163 L165 L177 V198	I140-V144 HydrophobicContact CG2-CG2 3.79Å; I140-V144 VanDerWaalsContact O-CG2 3.24Å; I140-V144 WeakPolarHBondContact O-CG2 3.38Å; I140-V144 PolarHBondContact O-N 2.8Å; V144-N146 PolarHBondContact O-N 2.84Å; V144-H147 HydrophobicContact CB-CB 4.33Å; V144-H147 PolarHBondContact O-N 3.2Å; V144-H147 PolarHBondContact O-ND1 2.87Å; V144-V149 HydrophobicContact CG2-CG2 3.79Å; V144-I163 HydrophobicContact CG1-CG2 4.13Å; V144-I163 HydrophobicContact CG2-CG2 4.18Å; V144-L165 HydrophobicContact CB-CD2 4.24Å; V144-L165 HydrophobicContact CG1-CD2 4.1Å; V144-L165 HydrophobicContact CG2-CD2 4.4Å; V144-L177 HydrophobicContact CB-CD2 4.46Å; V144-L177 HydrophobicContact CG1-CD1 4.24Å; V144-V198 HydrophobicContact CG1-CB 4.33Å; V144-V198 HydrophobicContact CG1-CG1 3.55Å; V144-V198 HydrophobicContact CG1-CG2 3.75Å
145	G	96.3	Very high	97.8	Very high	36 Å²	36	48.4 Å²	48.4	37%	0.371	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-121.6	179.5	0	0	0	0	0	112.1	K141	K141-G145 VanDerWaalsContact O-CA 3.23Å; K141-G145 WeakPolarHBondContact O-CA 3.38Å; K141-G145 PolarHBondContact O-N 3.18Å
146	N	95	Very high	97.6	Very high	165 Å²	165	47.8 Å²	47.8	88%	0.882	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	10	-177.9	-63.1	-23.3	0	0	0	113.7	V144	V144-N146 PolarHBondContact O-N 2.84Å
147	H	97.4	Very high	97.2	Very high	63 Å²	63	53.9 Å²	53.9	29%	0.292	29%	0.291	S	S	.	.	S	Bend	trans	-61.3	142.2	176.7	-70.5	86.4	0	0	0	110.4	V144 V149 L165	V144-H147 HydrophobicContact CB-CB 4.33Å; V144-H147 PolarHBondContact O-N 3.2Å; V144-H147 PolarHBondContact O-ND1 2.87Å; H147-V149 PolarHBondContact O-N 3.07Å; H147-V149 VanDerWaalsContact O-N 3.14Å; H147-L165 HydrophobicContact CB-CD2 4.04Å
148	P	97.4	Very high	97	Very high	65 Å²	65	49.2 Å²	49.2	42%	0.422	27%	0.273	S	S	.	.			trans	-67.8	115.4	-178.2	27.6	-33.9	0	0	0	110.4	L165 S166 C169	P148-L165 WeakPolarHBondContact O-CA 3.35Å; P148-S166 PolarHBondContact O-N 2.84Å; P148-C169 VanDerWaalsContact CG-SG 3.57Å
149	V	98.4	Very high	96.9	Very high	32 Å²	32	48.2 Å²	48.2	19%	0.194	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.3	176.8	178.5	0	0	0	0	109.3	I140 V144 H147 V152 I163 L165	I140-V149 HydrophobicContact CG2-CG2 3.85Å; V144-V149 HydrophobicContact CG2-CG2 3.79Å; H147-V149 PolarHBondContact O-N 3.07Å; H147-V149 VanDerWaalsContact O-N 3.14Å; V149-V152 HydrophobicContact CG1-CG2 3.77Å; V149-I163 HydrophobicContact CB-CG2 4.48Å; V149-I163 HydrophobicContact CG1-CG2 3.88Å; V149-I163 HydrophobicContact CG2-CG2 3.76Å; V149-L165 HydrophobicContact CG2-CD2 4.24Å
150	Q	98.1	Very high	96.9	Very high	75 Å²	75	48.7 Å²	48.7	35%	0.35	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-41.5	178	167.2	165.4	7.8	0	0	111.6	R164	Q150-R164 VanDerWaalsContact CD-NH1 3.28Å; Q150-R164 PolarHBondContact N-O 3.4Å; Q150-R164 VanDerWaalsContact OE1-CZ 3.25Å
151	E	98.3	Very high	96.9	Very high	37 Å²	37	47.8 Å²	47.8	17%	0.173	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.6	176.4	-63.9	-176.3	112.2	0	0	112.5	K130 L153 R164 Y239	K130-E151 IonicContact NZ-OE1 3.21Å; K130-E151 PolarHBondContact NZ-OE1 3.46Å; E151-L153 HydrophobicContact CB-CD1 3.55Å; E151-R164 HydrophobicContact CB-CB 4.31Å; E151-R164 PolarHBondContact N-O 2.81Å; E151-R164 VanDerWaalsContact N-O 3.14Å; E151-R164 PolarHBondContact O-N 2.9Å; E151-R164 IonicContact OE2-NH1 2.93Å; E151-R164 PolarHBondContact OE2-NH1 2.91Å; E151-R164 VanDerWaalsContact OE2-NH1 3.16Å; E151-Y239 PolarHBondContact OE2-OH 3.5Å
152	V	98.6	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125	170	-179.3	0	0	0	0	108.1	K131 H133 F136 I140 V149 L161 M162	K131-V152 PolarHBondContact N-O 2.69Å; H133-V152 VanDerWaalsContact CD2-CG2 3.47Å; H133-V152 WeakPolarHBondContact CD2-CG2 3.44Å; F136-V152 HydrophobicContact CB-CG1 4.43Å; F136-V152 HydrophobicContact CD2-CG1 4.08Å; F136-V152 HydrophobicContact CG-CG1 4.46Å; I140-V152 HydrophobicContact CD1-CG2 3.6Å; I140-V152 HydrophobicContact CG1-CG2 4.19Å; V149-V152 HydrophobicContact CG1-CG2 3.77Å; V152-L161 HydrophobicContact CG1-CD1 3.74Å; V152-L161 HydrophobicContact CG1-CG 4.32Å; V152-M162 WeakPolarHBondContact CA-O 3.46Å
153	L	98.7	Very high	96.9	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.058	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.4	-178.8	-50.4	81.4	0	0	0	110.7	P128 T129 E151 L161 M162 Y239	P128-L153 HydrophobicContact CB-CB 3.77Å; P128-L153 HydrophobicContact CB-CD2 4.34Å; P128-L153 HydrophobicContact CG-CB 4.26Å; P128-L153 HydrophobicContact CG-CD2 4.01Å; T129-L153 CarbonylContact O-C 3.48Å; T129-L153 WeakPolarHBondContact O-CA 3.24Å; E151-L153 HydrophobicContact CB-CD1 3.55Å; L153-L161 CarbonylContact O-C 3.44Å; L153-M162 HydrophobicContact CB-CE 4.12Å; L153-M162 HydrophobicContact CD1-CE 3.55Å; L153-M162 HydrophobicContact CD2-CE 3.91Å; L153-M162 HydrophobicContact CG-CE 4.06Å; L153-M162 PolarHBondContact N-O 3.47Å; L153-M162 PolarHBondContact O-N 3.03Å; L153-Y239 HydrophobicContact CD1-CE2 4.15Å; L153-Y239 HydrophobicContact CD2-CD2 3.71Å; L153-Y239 HydrophobicContact CD2-CE2 3.78Å
154	L	98.5	Very high	97	Very high	16 Å²	16	40 Å²	40	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.6	178	-179.4	68.9	0	0	0	109.9	T129 K131 F136 L161	T129-L154 PolarHBondContact N-O 3.43Å; T129-L154 PolarHBondContact O-N 3.4Å; T129-L154 PolarHBondContact OG1-O 2.92Å; K131-L154 HydrophobicContact CD-CB 4.44Å; K131-L154 HydrophobicContact CG-CB 3.87Å; F136-L154 HydrophobicContact CZ-CD2 4.15Å; L154-L161 HydrophobicContact CB-CD1 4.25Å; L154-L161 HydrophobicContact CD1-CB 4.28Å; L154-L161 HydrophobicContact CD1-CD1 4.23Å
155	S	97.5	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	108.5	163.3	170.8	0	0	0	0	108.3	N126 D157 T158 K159 K160	N126-S155 PolarHBondContact O-OG 3.02Å; S155-D157 VanDerWaalsContact C-N 3.33Å; S155-D157 PolarHBondContact O-N 3.37Å; S155-T158 VanDerWaalsContact CB-OG1 3.22Å; S155-T158 WeakPolarHBondContact CB-OG1 3.1Å; S155-T158 PolarHBondContact O-N 3.44Å; S155-T158 PolarHBondContact OG-OG1 3.46Å; S155-K159 VanDerWaalsContact O-CA 3.23Å; S155-K159 WeakPolarHBondContact O-CA 3.34Å; S155-K159 PolarHBondContact O-N 2.99Å; S155-K160 PolarHBondContact N-O 3.42Å; S155-K160 VanDerWaalsContact N-O 3.11Å; S155-K160 PolarHBondContact O-N 3.27Å
156	C	93.4	Very high	97.1	Very high	76 Å²	76	39.5 Å²	39.5	51%	0.514	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-38.1	-175.8	-66	0	0	0	0	112.3
157	D	90.1	Very high	97.1	Very high	135 Å²	135	35.7 Å²	35.7	72%	0.722	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-41.7	-177.8	-58.8	-31.8	0	0	0	111.7	S155	S155-D157 VanDerWaalsContact C-N 3.33Å; S155-D157 PolarHBondContact O-N 3.37Å
158	T	92.1	Very high	97	Very high	29 Å²	29	37 Å²	37	18%	0.178	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.1	-178.3	66.8	0	0	0	0	113.6	N126 S155 K160	N126-T158 HydrophobicContact CB-CG2 3.69Å; N126-T158 WeakPolarHBondContact OD1-CG2 3.35Å; S155-T158 VanDerWaalsContact CB-OG1 3.22Å; S155-T158 WeakPolarHBondContact CB-OG1 3.1Å; S155-T158 PolarHBondContact O-N 3.44Å; S155-T158 PolarHBondContact OG-OG1 3.46Å; T158-K160 PolarHBondContact O-N 3.02Å; T158-K160 WeakPolarHBondContact OG1-CG 3.32Å; T158-K160 PolarHBondContact OG1-N 3.06Å
159	K	96	Very high	96.9	Very high	70 Å²	70	34.7 Å²	34.7	30%	0.304	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	27.3	-172	-59.7	-174.4	172.8	-166.9	0	113.6	S155 G191 R192 V193 R194	S155-K159 VanDerWaalsContact O-CA 3.23Å; S155-K159 WeakPolarHBondContact O-CA 3.34Å; S155-K159 PolarHBondContact O-N 2.99Å; K159-G191 WeakPolarHBondContact CD-O 3.42Å; K159-G191 PolarHBondContact NZ-O 2.89Å; K159-R192 WeakPolarHBondContact CB-O 3.44Å; K159-V193 WeakPolarHBondContact O-CA 3.42Å; K159-R194 HydrophobicContact CB-CB 3.98Å; K159-R194 HydrophobicContact CB-CG 3.89Å; K159-R194 HydrophobicContact CD-CG 3.95Å; K159-R194 PolarHBondContact O-N 2.95Å
160	K	97.5	Very high	96.5	Very high	14 Å²	14	39.9 Å²	39.9	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.7	175.5	-65	-173	-178.7	92.9	0	109.5	S155 T158 G195 I197 Y216 S231 A232 V235	S155-K160 PolarHBondContact N-O 3.42Å; S155-K160 VanDerWaalsContact N-O 3.11Å; S155-K160 PolarHBondContact O-N 3.27Å; T158-K160 PolarHBondContact O-N 3.02Å; T158-K160 WeakPolarHBondContact OG1-CG 3.32Å; T158-K160 PolarHBondContact OG1-N 3.06Å; K160-G195 WeakPolarHBondContact CA-O 3.44Å; K160-I197 HydrophobicContact CB-CD1 4.01Å; K160-I197 HydrophobicContact CB-CG1 4.5Å; K160-I197 HydrophobicContact CD-CD1 4.06Å; K160-Y216 HydrophobicContact CD-CE2 3.78Å; K160-Y216 VanDerWaalsContact CE-OH 3.31Å; K160-Y216 WeakPolarHBondContact CE-OH 3.48Å; K160-Y216 HydrophobicContact CG-CE2 4.12Å; K160-S231 VanDerWaalsContact CE-OG 3.29Å; K160-S231 WeakPolarHBondContact CE-OG 3.37Å; K160-S231 PolarHBondContact NZ-O 3.33Å; K160-S231 VanDerWaalsContact NZ-O 3.07Å; K160-S231 PolarHBondContact NZ-OG 2.89Å; K160-A232 HydrophobicContact CD-CB 4.36Å; K160-V235 HydrophobicContact CB-CG2 4.42Å; K160-V235 HydrophobicContact CD-CG2 4.28Å
161	L	98.6	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.3	172.5	-173.2	74.3	0	0	0	108.6	F136 V139 V152 L153 L154 I163 V193 G195 V196 I197	F136-L161 HydrophobicContact CB-CD2 4.01Å; F136-L161 HydrophobicContact CD1-CD1 3.75Å; F136-L161 HydrophobicContact CD1-CD2 3.74Å; F136-L161 HydrophobicContact CD1-CG 4.39Å; F136-L161 HydrophobicContact CD2-CD1 3.96Å; F136-L161 HydrophobicContact CE1-CD1 3.84Å; F136-L161 HydrophobicContact CE1-CD2 4.48Å; F136-L161 HydrophobicContact CE2-CD1 4.07Å; F136-L161 HydrophobicContact CG-CD1 3.81Å; F136-L161 HydrophobicContact CG-CD2 3.95Å; F136-L161 HydrophobicContact CZ-CD1 4Å; V139-L161 HydrophobicContact CB-CD2 4.1Å; V139-L161 HydrophobicContact CG1-CD2 3.62Å; V152-L161 HydrophobicContact CG1-CD1 3.74Å; V152-L161 HydrophobicContact CG1-CG 4.32Å; L153-L161 CarbonylContact O-C 3.44Å; L154-L161 HydrophobicContact CB-CD1 4.25Å; L154-L161 HydrophobicContact CD1-CB 4.28Å; L154-L161 HydrophobicContact CD1-CD1 4.23Å; L161-I163 HydrophobicContact CD2-CG1 4.45Å; L161-V193 HydrophobicContact CB-CG1 3.93Å; L161-V193 HydrophobicContact CB-CG2 4.1Å; L161-V193 HydrophobicContact CD2-CG2 4.38Å; L161-G195 PolarHBondContact N-O 3.46Å; L161-V196 CarbonylContact O-C 3.37Å; L161-V196 VanDerWaalsContact O-CA 3.31Å; L161-V196 WeakPolarHBondContact O-CA 3.36Å; L161-I197 PolarHBondContact O-N 2.86Å
162	M	98.8	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.2	175.9	-174.9	173.9	73.9	0	0	110.1	P128 V152 L153 I197 T199 L236 Y239	P128-M162 HydrophobicContact CG-CE 3.98Å; V152-M162 WeakPolarHBondContact CA-O 3.46Å; L153-M162 HydrophobicContact CB-CE 4.12Å; L153-M162 HydrophobicContact CD1-CE 3.55Å; L153-M162 HydrophobicContact CD2-CE 3.91Å; L153-M162 HydrophobicContact CG-CE 4.06Å; L153-M162 PolarHBondContact N-O 3.47Å; L153-M162 PolarHBondContact O-N 3.03Å; M162-I197 CarbonylContact C-O 3.59Å; M162-I197 WeakPolarHBondContact CA-O 3.41Å; M162-I197 HydrophobicContact CB-CB 4.29Å; M162-I197 HydrophobicContact CG-CB 4.24Å; M162-I197 HydrophobicContact CG-CG2 4.2Å; M162-T199 HydrophobicContact CG-CG2 3.95Å; M162-T199 HydrophobicContact SD-CG2 4.05Å; M162-L236 HydrophobicContact SD-CD2 3.83Å; M162-Y239 HydrophobicContact CE-CD1 3.64Å; M162-Y239 HydrophobicContact CE-CD2 3.51Å; M162-Y239 HydrophobicContact CE-CE1 4.08Å; M162-Y239 HydrophobicContact CE-CE2 3.95Å; M162-Y239 HydrophobicContact CE-CG 3.32Å; M162-Y239 HydrophobicContact SD-CD1 4.22Å; M162-Y239 HydrophobicContact SD-CG 4.26Å
163	I	98.8	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	105.5	174	-57.9	172.7	0	0	0	106.7	I140 A143 V144 V149 L161 L165 V196 I197 V198 T199	I140-I163 HydrophobicContact CB-CD1 4.48Å; I140-I163 HydrophobicContact CG1-CD1 4.07Å; I140-I163 HydrophobicContact CG1-CG1 4.43Å; A143-I163 HydrophobicContact CB-CD1 3.88Å; V144-I163 HydrophobicContact CG1-CG2 4.13Å; V144-I163 HydrophobicContact CG2-CG2 4.18Å; V149-I163 HydrophobicContact CB-CG2 4.48Å; V149-I163 HydrophobicContact CG1-CG2 3.88Å; V149-I163 HydrophobicContact CG2-CG2 3.76Å; L161-I163 HydrophobicContact CD2-CG1 4.45Å; I163-L165 HydrophobicContact CG2-CD2 4.37Å; I163-V196 HydrophobicContact CD1-CG1 3.76Å; I163-V196 HydrophobicContact CG1-CG1 4.3Å; I163-I197 PolarHBondContact N-O 2.85Å; I163-V198 WeakPolarHBondContact O-CA 3.5Å; I163-T199 PolarHBondContact O-N 3.25Å
164	R	98.6	Very high	96	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.049	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.1	176.2	-177.3	-110.1	178.9	134.9	-4.6	108.6	Q150 E151 D167 T199 Y239 W240	Q150-R164 VanDerWaalsContact CD-NH1 3.28Å; Q150-R164 PolarHBondContact N-O 3.4Å; Q150-R164 VanDerWaalsContact OE1-CZ 3.25Å; E151-R164 HydrophobicContact CB-CB 4.31Å; E151-R164 PolarHBondContact N-O 2.81Å; E151-R164 VanDerWaalsContact N-O 3.14Å; E151-R164 PolarHBondContact O-N 2.9Å; E151-R164 IonicContact OE2-NH1 2.93Å; E151-R164 PolarHBondContact OE2-NH1 2.91Å; E151-R164 VanDerWaalsContact OE2-NH1 3.16Å; R164-D167 IonicContact CZ-OD1 3.16Å; R164-D167 IonicContact NE-OD1 2.73Å; R164-D167 VanDerWaalsContact NH2-CG 3.33Å; R164-D167 IonicContact NH2-OD1 3.27Å; R164-D167 PolarHBondContact NH2-OD1 2.98Å; R164-D167 IonicContact NH2-OD2 3.71Å; R164-D167 PolarHBondContact NH2-OD2 2.81Å; R164-T199 HydrophobicContact CB-CG2 4.09Å; R164-T199 HydrophobicContact CG-CG2 4.27Å; R164-Y239 WeakPolarHBondContact CD-OH 2.9Å; R164-Y239 HydrophobicContact CG-CE1 4.01Å; R164-Y239 WeakPolarHBondContact CG-OH 3.18Å; R164-Y239 PolarHBondContact NH1-OH 2.95Å; R164-W240 HydrophobicContact CG-CH2 4.44Å; R164-W240 HydrophobicContact CG-CZ2 4.38Å
165	L	98.6	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	158.5	175	-60.2	-175.9	0	0	0	110.3	V144 H147 P148 V149 I163 C169 A173 L174 V198 T199 T200	V144-L165 HydrophobicContact CB-CD2 4.24Å; V144-L165 HydrophobicContact CG1-CD2 4.1Å; V144-L165 HydrophobicContact CG2-CD2 4.4Å; H147-L165 HydrophobicContact CB-CD2 4.04Å; P148-L165 WeakPolarHBondContact O-CA 3.35Å; V149-L165 HydrophobicContact CG2-CD2 4.24Å; I163-L165 HydrophobicContact CG2-CD2 4.37Å; L165-C169 HydrophobicContact CB-CB 4.07Å; L165-C169 HydrophobicContact CD1-CB 4.42Å; L165-A173 HydrophobicContact CD1-CB 4.22Å; L165-L174 HydrophobicContact CD1-CD2 4.15Å; L165-V198 HydrophobicContact CD1-CG1 4.04Å; L165-V198 HydrophobicContact CD2-CG1 4.3Å; L165-V198 HydrophobicContact CG-CG1 3.96Å; L165-T199 PolarHBondContact N-O 2.99Å; L165-T200 HydrophobicContact CB-CG2 3.89Å; L165-T200 HydrophobicContact CD1-CG2 3.86Å; L165-T200 HydrophobicContact CG-CG2 4.27Å
166	S	97.6	Very high	95.8	Very high	29 Å²	29	47.8 Å²	47.8	20%	0.203	27%	0.271	C	S	.	.			trans	-54.6	147.6	175.3	176.9	0	0	0	0	112.1	P148 S168 C169	P148-S166 PolarHBondContact O-N 2.84Å; S166-S168 WeakPolarHBondContact CB-OG 3.26Å; S166-S168 PolarHBondContact O-N 3Å; S166-S168 VanDerWaalsContact O-N 3.07Å; S166-S168 PolarHBondContact OG-N 2.71Å; S166-S168 PolarHBondContact OG-OG 3.09Å; S166-C169 VanDerWaalsContact O-CB 3.26Å; S166-C169 WeakPolarHBondContact O-CB 3.5Å; S166-C169 PolarHBondContact O-N 2.73Å
167	D	95.8	Very high	96	Very high	84 Å²	84	44.8 Å²	44.8	45%	0.449	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.1	172.1	-70.5	-15.1	0	0	0	113.2	R164 C169	R164-D167 IonicContact CZ-OD1 3.16Å; R164-D167 IonicContact NE-OD1 2.73Å; R164-D167 VanDerWaalsContact NH2-CG 3.33Å; R164-D167 IonicContact NH2-OD1 3.27Å; R164-D167 PolarHBondContact NH2-OD1 2.98Å; R164-D167 IonicContact NH2-OD2 3.71Å; R164-D167 PolarHBondContact NH2-OD2 2.81Å; D167-C169 PolarHBondContact O-N 3.01Å
168	S	94.9	Very high	96.2	Very high	92 Å²	92	48.2 Å²	48.2	64%	0.643	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.2	169.6	65.4	0	0	0	0	113.7	S166	S166-S168 WeakPolarHBondContact CB-OG 3.26Å; S166-S168 PolarHBondContact O-N 3Å; S166-S168 VanDerWaalsContact O-N 3.07Å; S166-S168 PolarHBondContact OG-N 2.71Å; S166-S168 PolarHBondContact OG-OG 3.09Å
169	C	95.1	Very high	96.5	Very high	16 Å²	16	48 Å²	48	11%	0.108	26%	0.257	C	S	.	.			trans	-89	126.7	177.6	-70.7	0	0	0	0	110.8	P148 L165 S166 D167 A173 T200	P148-C169 VanDerWaalsContact CG-SG 3.57Å; L165-C169 HydrophobicContact CB-CB 4.07Å; L165-C169 HydrophobicContact CD1-CB 4.42Å; S166-C169 VanDerWaalsContact O-CB 3.26Å; S166-C169 WeakPolarHBondContact O-CB 3.5Å; S166-C169 PolarHBondContact O-N 2.73Å; D167-C169 PolarHBondContact O-N 3.01Å; C169-A173 HydrophobicContact CB-CB 3.82Å; C169-T200 HydrophobicContact CB-CG2 4.15Å
170	E	91.9	Very high	96.6	Very high	141 Å²	141	49 Å²	49	66%	0.659	27%	0.266	S	S	*	.			trans	-87.2	175.8	171.9	-60.9	-175.3	164	0	0	111.8	S172 A173	E170-S172 PolarHBondContact O-N 2.84Å; E170-A173 VanDerWaalsContact O-CB 3.24Å; E170-A173 WeakPolarHBondContact O-CB 3.35Å; E170-A173 PolarHBondContact O-N 2.88Å
171	R	94.6	Very high	96.5	Very high	83 Å²	83	50.6 Å²	50.6	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-50.5	-33.4	173.6	-176.6	178.7	178.5	178.6	-0.2	113.1	A173 L174 T175 Y213 C254	R171-A173 PolarHBondContact O-N 3.14Å; R171-L174 WeakPolarHBondContact O-CB 3.41Å; R171-L174 PolarHBondContact O-N 3.27Å; R171-T175 HydrophobicContact CG-CG2 4.37Å; R171-T175 PolarHBondContact O-N 2.57Å; R171-T175 VanDerWaalsContact O-N 3.14Å; R171-Y213 HydrophobicContact CB-CD2 4.06Å; R171-Y213 HydrophobicContact CB-CE2 4.03Å; R171-Y213 HydrophobicContact CB-CG 4.44Å; R171-Y213 HydrophobicContact CG-CD1 4.22Å; R171-Y213 HydrophobicContact CG-CD2 4.36Å; R171-Y213 HydrophobicContact CG-CE1 4.37Å; R171-Y213 HydrophobicContact CG-CE2 4.47Å; R171-Y213 HydrophobicContact CG-CG 4.25Å; R171-C254 PolarHBondContact NE-SG 3.07Å; R171-C254 VanDerWaalsContact NE-SG 3.39Å
172	S	94.8	Very high	96.5	Very high	65 Å²	65	54.8 Å²	54.8	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-30.2	177.9	58.5	0	0	0	0	113.2	E170 L174 T175 S176	E170-S172 PolarHBondContact O-N 2.84Å; S172-L174 VanDerWaalsContact C-N 3.27Å; S172-L174 PolarHBondContact O-N 3.27Å; S172-T175 WeakPolarHBondContact CA-OG1 3.25Å; S172-T175 PolarHBondContact O-N 3.05Å; S172-T175 PolarHBondContact O-OG1 2.81Å; S172-S176 WeakPolarHBondContact O-CB 3.01Å; S172-S176 PolarHBondContact O-N 2.67Å; S172-S176 PolarHBondContact O-OG 3.25Å
173	A	96.3	Very high	96.4	Very high	9 Å²	9	56.9 Å²	56.9	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-36.5	174.1	0	0	0	0	0	111.2	L165 C169 E170 R171 S176 L177	L165-A173 HydrophobicContact CD1-CB 4.22Å; C169-A173 HydrophobicContact CB-CB 3.82Å; E170-A173 VanDerWaalsContact O-CB 3.24Å; E170-A173 WeakPolarHBondContact O-CB 3.35Å; E170-A173 PolarHBondContact O-N 2.88Å; R171-A173 PolarHBondContact O-N 3.14Å; A173-S176 PolarHBondContact O-OG 3.3Å; A173-L177 VanDerWaalsContact O-CG 3.26Å; A173-L177 WeakPolarHBondContact O-CG 3.3Å
174	L	96.6	Very high	96.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-75.2	-48.1	176.4	-66.8	173	0	0	0	112	L165 R171 S172 S176 L177 V198 T200 R215 C254	L165-L174 HydrophobicContact CD1-CD2 4.15Å; R171-L174 WeakPolarHBondContact O-CB 3.41Å; R171-L174 PolarHBondContact O-N 3.27Å; S172-L174 VanDerWaalsContact C-N 3.27Å; S172-L174 PolarHBondContact O-N 3.27Å; L174-S176 PolarHBondContact O-N 3.08Å; L174-L177 HydrophobicContact CD2-CD1 4.4Å; L174-L177 PolarHBondContact O-N 2.84Å; L174-V198 HydrophobicContact CD2-CB 4.03Å; L174-V198 HydrophobicContact CD2-CG1 3.58Å; L174-T200 HydrophobicContact CD1-CG2 3.91Å; L174-T200 HydrophobicContact CD2-CG2 4.14Å; L174-T200 HydrophobicContact CG-CG2 3.78Å; L174-R215 HydrophobicContact CB-CG 4.47Å; L174-R215 WeakPolarHBondContact O-CD 3.3Å; L174-R215 PolarHBondContact O-NH1 3.18Å; L174-C254 HydrophobicContact CB-CB 4.37Å
175	T	95.9	Very high	96.3	Very high	79 Å²	79	59.5 Å²	59.5	49%	0.485	34%	0.335	S	S	.	.	H	α-helix	trans	-70.2	-21.5	-174.9	57.3	0	0	0	0	112.8	R171 S172 C254	R171-T175 HydrophobicContact CG-CG2 4.37Å; R171-T175 PolarHBondContact O-N 2.57Å; R171-T175 VanDerWaalsContact O-N 3.14Å; S172-T175 WeakPolarHBondContact CA-OG1 3.25Å; S172-T175 PolarHBondContact O-N 3.05Å; S172-T175 PolarHBondContact O-OG1 2.81Å; T175-C254 HydrophobicContact CG2-CB 3.97Å
176	S	96.1	Very high	96.3	Very high	69 Å²	69	65.3 Å²	65.3	48%	0.483	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.9	176.6	63.4	0	0	0	0	114.3	S172 A173 L174 K178	S172-S176 WeakPolarHBondContact O-CB 3.01Å; S172-S176 PolarHBondContact O-N 2.67Å; S172-S176 PolarHBondContact O-OG 3.25Å; A173-S176 PolarHBondContact O-OG 3.3Å; L174-S176 PolarHBondContact O-N 3.08Å; S176-K178 PolarHBondContact O-N 3.47Å
177	L	97.3	Very high	96.2	Very high	13 Å²	13	65 Å²	65	7%	0.068	36%	0.364	C	S	.	.			trans	-61.2	127.1	178.6	-59.6	173.9	0	0	0	110.7	V144 A173 L174 V179 V198 R215	V144-L177 HydrophobicContact CB-CD2 4.46Å; V144-L177 HydrophobicContact CG1-CD1 4.24Å; A173-L177 VanDerWaalsContact O-CG 3.26Å; A173-L177 WeakPolarHBondContact O-CG 3.3Å; L174-L177 HydrophobicContact CD2-CD1 4.4Å; L174-L177 PolarHBondContact O-N 2.84Å; L177-V179 HydrophobicContact CB-CG2 4.19Å; L177-V198 HydrophobicContact CD1-CB 4.34Å; L177-V198 HydrophobicContact CD1-CG1 4Å; L177-V198 HydrophobicContact CD1-CG2 4.4Å; L177-R215 PolarHBondContact O-NH1 3.28Å
178	K	95.6	Very high	96.2	Very high	206 Å²	206	61.6 Å²	61.6	90%	0.896	35%	0.346	S	S	*	.			trans	-109.7	85.6	171.8	-64.4	-174.8	-179.4	-178	0	108.2	S176	S176-K178 PolarHBondContact O-N 3.47Å
179	V	97.8	Very high	96.1	Very high	25 Å²	25	63.3 Å²	63.3	15%	0.152	36%	0.358	C	S	.	.			trans	-84.2	120.7	-179.5	-176.4	0	0	0	0	108.7	A143 L177 P181 L184 F217	A143-V179 VanDerWaalsContact O-CG2 3.3Å; A143-V179 WeakPolarHBondContact O-CG2 3.28Å; L177-V179 HydrophobicContact CB-CG2 4.19Å; V179-P181 WeakPolarHBondContact O-CD 3.45Å; V179-L184 HydrophobicContact CG1-CB 4.15Å; V179-L184 HydrophobicContact CG1-CD2 3.82Å; V179-F217 HydrophobicContact CB-CD1 4.15Å; V179-F217 HydrophobicContact CB-CE1 3.86Å; V179-F217 HydrophobicContact CB-CZ 4.13Å; V179-F217 HydrophobicContact CG1-CD1 4.23Å; V179-F217 HydrophobicContact CG1-CE1 4.41Å; V179-F217 HydrophobicContact CG1-CG 4.4Å; V179-F217 HydrophobicContact CG2-CD1 4.27Å; V179-F217 HydrophobicContact CG2-CD2 4.38Å; V179-F217 HydrophobicContact CG2-CE1 3.69Å; V179-F217 HydrophobicContact CG2-CE2 3.81Å; V179-F217 HydrophobicContact CG2-CZ 3.41Å; V179-F217 VanDerWaalsContact CG2-CZ 3.41Å
180	D	97.9	Very high	95.9	Very high	90 Å²	90	65.6 Å²	65.6	48%	0.481	37%	0.374	S	S	.	.			trans	-78.8	114.3	169.1	177.6	-17.5	0	0	0	108.5	V182 A183 L184	D180-V182 VanDerWaalsContact C-N 3.27Å; D180-V182 PolarHBondContact O-N 2.69Å; D180-V182 WeakPolarHBondContact OD1-CB 3.3Å; D180-V182 PolarHBondContact OD1-N 3.04Å; D180-A183 HydrophobicContact CB-CB 3.81Å; D180-A183 PolarHBondContact O-N 3.4Å; D180-A183 PolarHBondContact OD1-N 3.07Å; D180-L184 WeakPolarHBondContact O-CB 3.34Å; D180-L184 PolarHBondContact O-N 3.01Å
181	P	96.3	Very high	95.8	Very high	48 Å²	48	60.5 Å²	60.5	31%	0.312	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-29.7	-176.3	27.4	-34.9	0	0	0	112.8	V179 L185 P219 P224	V179-P181 WeakPolarHBondContact O-CD 3.45Å; P181-L185 VanDerWaalsContact O-CB 3.26Å; P181-L185 WeakPolarHBondContact O-CB 3.42Å; P181-L185 PolarHBondContact O-N 2.78Å; P181-P219 HydrophobicContact CB-CB 4.32Å; P181-P224 HydrophobicContact CB-CB 3.86Å; P181-P224 HydrophobicContact CB-CG 4.45Å; P181-P224 HydrophobicContact CG-CB 4.17Å
182	V	97.4	Very high	95.8	Very high	88 Å²	88	62.1 Å²	62.1	53%	0.533	37%	0.366	S	S	.	.	H	α-helix	trans	-73.4	-44.4	178.2	178.7	0	0	0	0	109.8	D180 L184 L185 N186	D180-V182 VanDerWaalsContact C-N 3.27Å; D180-V182 PolarHBondContact O-N 2.69Å; D180-V182 WeakPolarHBondContact OD1-CB 3.3Å; D180-V182 PolarHBondContact OD1-N 3.04Å; V182-L184 VanDerWaalsContact C-N 3.32Å; V182-L184 PolarHBondContact O-N 2.71Å; V182-L185 PolarHBondContact O-N 3.14Å; V182-N186 WeakPolarHBondContact O-CB 3.37Å; V182-N186 VanDerWaalsContact O-CG 3.28Å; V182-N186 PolarHBondContact O-N 3.48Å; V182-N186 PolarHBondContact O-ND2 3.11Å
183	A	97.8	Very high	95.8	Very high	44 Å²	44	59.1 Å²	59.1	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-41.8	174.9	0	0	0	0	0	111.5	D180 N186 S187	D180-A183 HydrophobicContact CB-CB 3.81Å; D180-A183 PolarHBondContact O-N 3.4Å; D180-A183 PolarHBondContact OD1-N 3.07Å; A183-N186 PolarHBondContact O-N 3.27Å; A183-S187 PolarHBondContact O-N 2.83Å; A183-S187 VanDerWaalsContact O-N 3.11Å
184	L	98.3	Very high	95.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.5	-44.7	177	-175.4	62.7	0	0	0	111.7	V139 A142 A143 V179 D180 V182 N186 S187 V196 F217 P219 W220	V139-L184 HydrophobicContact CG1-CD1 4.02Å; A142-L184 HydrophobicContact CB-CB 4.41Å; A142-L184 HydrophobicContact CB-CD1 3.98Å; A143-L184 HydrophobicContact CB-CD1 4.14Å; V179-L184 HydrophobicContact CG1-CB 4.15Å; V179-L184 HydrophobicContact CG1-CD2 3.82Å; D180-L184 WeakPolarHBondContact O-CB 3.34Å; D180-L184 PolarHBondContact O-N 3.01Å; V182-L184 VanDerWaalsContact C-N 3.32Å; V182-L184 PolarHBondContact O-N 2.71Å; L184-N186 VanDerWaalsContact C-N 3.31Å; L184-N186 PolarHBondContact O-N 3.04Å; L184-S187 WeakPolarHBondContact O-CB 3.43Å; L184-S187 PolarHBondContact O-N 3.44Å; L184-S187 VanDerWaalsContact O-N 3.14Å; L184-S187 PolarHBondContact O-OG 2.96Å; L184-V196 HydrophobicContact CD1-CG2 4.22Å; L184-V196 HydrophobicContact CD2-CG2 4.48Å; L184-F217 HydrophobicContact CD2-CB 3.56Å; L184-F217 HydrophobicContact CD2-CG 4.24Å; L184-P219 HydrophobicContact CB-CG 4.2Å; L184-P219 HydrophobicContact CD2-CG 3.92Å; L184-P219 HydrophobicContact CG-CG 3.98Å; L184-W220 HydrophobicContact CD1-CH2 4.08Å; L184-W220 HydrophobicContact CD2-CZ3 4.41Å; L184-W220 HydrophobicContact CG-CH2 3.84Å; L184-W220 HydrophobicContact CG-CZ3 4.17Å; L184-W220 WeakPolarHBondContact O-CH2 3.37Å; L184-W220 WeakPolarHBondContact O-CZ2 3.41Å
185	L	97.1	Very high	95.7	Very high	68 Å²	68	65.9 Å²	65.9	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-56.7	-45.4	175.1	-178.2	61.5	0	0	0	111.8	P181 V182 S187 P219 W220	P181-L185 VanDerWaalsContact O-CB 3.26Å; P181-L185 WeakPolarHBondContact O-CB 3.42Å; P181-L185 PolarHBondContact O-N 2.78Å; V182-L185 PolarHBondContact O-N 3.14Å; L185-S187 PolarHBondContact O-N 2.59Å; L185-P219 HydrophobicContact CB-CB 4.12Å; L185-P219 HydrophobicContact CB-CG 4.31Å; L185-W220 HydrophobicContact CD1-CB 4.29Å; L185-W220 VanDerWaalsContact CD1-CD1 3.45Å; L185-W220 HydrophobicContact CD1-CD2 4.27Å; L185-W220 HydrophobicContact CD1-CG 3.76Å; L185-W220 PolarHBondContact O-NE1 2.91Å
186	N	97.1	Very high	95.8	Very high	122 Å²	122	62.1 Å²	62.1	65%	0.652	35%	0.345	S	S	*	.	H	α-helix	trans	-74.4	-10.5	-178.8	-69.3	-25.8	0	0	0	113.7	V182 A183 L184	V182-N186 WeakPolarHBondContact O-CB 3.37Å; V182-N186 VanDerWaalsContact O-CG 3.28Å; V182-N186 PolarHBondContact O-N 3.48Å; V182-N186 PolarHBondContact O-ND2 3.11Å; A183-N186 PolarHBondContact O-N 3.27Å; L184-N186 VanDerWaalsContact C-N 3.31Å; L184-N186 PolarHBondContact O-N 3.04Å
187	S	96.9	Very high	95.9	Very high	24 Å²	24	58.9 Å²	58.9	17%	0.168	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.2	-179.1	74.3	0	0	0	0	114.2	V139 A183 L184 L185	V139-S187 WeakPolarHBondContact CA-OG 3.41Å; A183-S187 PolarHBondContact O-N 2.83Å; A183-S187 VanDerWaalsContact O-N 3.11Å; L184-S187 WeakPolarHBondContact O-CB 3.43Å; L184-S187 PolarHBondContact O-N 3.44Å; L184-S187 VanDerWaalsContact O-N 3.14Å; L184-S187 PolarHBondContact O-OG 2.96Å; L185-S187 PolarHBondContact O-N 2.59Å
188	D	94.7	Very high	96	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.064	32%	0.319	C	S	.	.			trans	-141.6	115.9	171	-176.1	49.2	0	0	0	111.2	V139 S190 R192 V193 W220	V139-D188 HydrophobicContact CG2-CB 4.01Å; D188-S190 VanDerWaalsContact CG-OG 3.28Å; D188-S190 WeakPolarHBondContact OD1-CB 3.39Å; D188-S190 PolarHBondContact OD1-N 3.2Å; D188-S190 PolarHBondContact OD1-OG 2.83Å; D188-S190 PolarHBondContact OD2-OG 3.03Å; D188-R192 PolarHBondContact OD2-N 2.97Å; D188-V193 HydrophobicContact CB-CB 4.49Å; D188-V193 PolarHBondContact OD2-N 2.83Å; D188-V193 VanDerWaalsContact OD2-N 3.11Å; D188-W220 HydrophobicContact CB-CZ2 3.94Å; D188-W220 PolarHBondContact O-NE1 3.39Å
189	S	92.1	Very high	96.2	Very high	128 Å²	128	48.5 Å²	48.5	90%	0.895	28%	0.276	S	S	*	.			trans	-104.9	-1	171.6	59	0	0	0	0	112.9	G191	S189-G191 VanDerWaalsContact C-N 3.27Å; S189-G191 PolarHBondContact O-N 2.91Å
190	S	91.9	Very high	96.2	Very high	63 Å²	63	47.3 Å²	47.3	44%	0.441	27%	0.269	S	S	.	.	S	Bend	trans	-76.1	-14.4	-175.7	71.8	0	0	0	0	113.8	D188 R192	D188-S190 VanDerWaalsContact CG-OG 3.28Å; D188-S190 WeakPolarHBondContact OD1-CB 3.39Å; D188-S190 PolarHBondContact OD1-N 3.2Å; D188-S190 PolarHBondContact OD1-OG 2.83Å; D188-S190 PolarHBondContact OD2-OG 3.03Å; S190-R192 PolarHBondContact O-N 2.93Å; S190-R192 WeakPolarHBondContact OG-CB 3.38Å; S190-R192 VanDerWaalsContact OG-CG 3.23Å; S190-R192 WeakPolarHBondContact OG-CG 3.39Å; S190-R192 PolarHBondContact OG-N 2.87Å; S190-R192 PolarHBondContact OG-NE 3.27Å
191	G	90.2	Very high	96.1	Very high	35 Å²	35	47.5 Å²	47.5	36%	0.361	27%	0.266	S	S	.	.	S	Bend	trans	69.2	15	-174.6	0	0	0	0	0	113.4	K159 S189	K159-G191 WeakPolarHBondContact CD-O 3.42Å; K159-G191 PolarHBondContact NZ-O 2.89Å; S189-G191 VanDerWaalsContact C-N 3.27Å; S189-G191 PolarHBondContact O-N 2.91Å
192	R	93.4	Very high	96.1	Very high	117 Å²	117	45.7 Å²	45.7	44%	0.442	26%	0.256	S	S	.	.	S	Bend	trans	-77	-31	173.3	-69.4	-178.3	-62.9	163.1	6.7	111.2	K159 D188 S190	K159-R192 WeakPolarHBondContact CB-O 3.44Å; D188-R192 PolarHBondContact OD2-N 2.97Å; S190-R192 PolarHBondContact O-N 2.93Å; S190-R192 WeakPolarHBondContact OG-CB 3.38Å; S190-R192 VanDerWaalsContact OG-CG 3.23Å; S190-R192 WeakPolarHBondContact OG-CG 3.39Å; S190-R192 PolarHBondContact OG-N 2.87Å; S190-R192 PolarHBondContact OG-NE 3.27Å
193	V	95.6	Very high	95.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	25%	0.247	C	C	.	.			trans	-109.1	133.9	176.6	-175.9	0	0	0	0	109.6	F136 K159 L161 D188 G195 V196 W220	F136-V193 HydrophobicContact CD1-CG2 4.05Å; F136-V193 HydrophobicContact CE1-CG2 3.74Å; K159-V193 WeakPolarHBondContact O-CA 3.42Å; L161-V193 HydrophobicContact CB-CG1 3.93Å; L161-V193 HydrophobicContact CB-CG2 4.1Å; L161-V193 HydrophobicContact CD2-CG2 4.38Å; D188-V193 HydrophobicContact CB-CB 4.49Å; D188-V193 PolarHBondContact OD2-N 2.83Å; D188-V193 VanDerWaalsContact OD2-N 3.11Å; V193-G195 WeakPolarHBondContact CG1-O 3.38Å; V193-V196 HydrophobicContact CG1-CG2 4Å; V193-W220 HydrophobicContact CG1-CH2 4.05Å; V193-W220 HydrophobicContact CG1-CZ3 4.05Å
194	R	93.2	Very high	94.9	Very high	152 Å²	152	44.7 Å²	44.7	57%	0.574	25%	0.249	S	C	*	.	S	Bend	trans	-118.5	-10.5	172.1	-72.5	-171.6	169.4	-177.3	-4.3	113.3	K159	K159-R194 HydrophobicContact CB-CB 3.98Å; K159-R194 HydrophobicContact CB-CG 3.89Å; K159-R194 HydrophobicContact CD-CG 3.95Å; K159-R194 PolarHBondContact O-N 2.95Å
195	G	96.4	Very high	94.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	154.5	174.9	0	0	0	0	0	110.9	K160 L161 V193 F217	K160-G195 WeakPolarHBondContact CA-O 3.44Å; L161-G195 PolarHBondContact N-O 3.46Å; V193-G195 WeakPolarHBondContact CG1-O 3.38Å; G195-F217 CarbonylContact C-O 3.5Å; G195-F217 VanDerWaalsContact CA-O 3.24Å; G195-F217 WeakPolarHBondContact CA-O 3.33Å
196	V	98.6	Very high	93.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.6	-178.2	179.5	0	0	0	0	109.2	V139 A143 L161 I163 L184 V193 V198 Y216 F217 W220	V139-V196 HydrophobicContact CG1-CG2 3.65Å; A143-V196 HydrophobicContact CB-CG1 3.96Å; L161-V196 CarbonylContact O-C 3.37Å; L161-V196 VanDerWaalsContact O-CA 3.31Å; L161-V196 WeakPolarHBondContact O-CA 3.36Å; I163-V196 HydrophobicContact CD1-CG1 3.76Å; I163-V196 HydrophobicContact CG1-CG1 4.3Å; L184-V196 HydrophobicContact CD1-CG2 4.22Å; L184-V196 HydrophobicContact CD2-CG2 4.48Å; V193-V196 HydrophobicContact CG1-CG2 4Å; V196-V198 HydrophobicContact CG1-CG2 4.13Å; V196-Y216 WeakPolarHBondContact O-CA 3.36Å; V196-F217 PolarHBondContact N-O 2.96Å; V196-F217 PolarHBondContact O-N 2.8Å; V196-W220 HydrophobicContact CG2-CH2 4.18Å; V196-W220 HydrophobicContact CG2-CZ3 4.04Å
197	I	98.9	Very high	92.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.2	169	-56.8	164.4	0	0	0	107	K160 L161 M162 I163 R215 Y216 A232 V235 L236	K160-I197 HydrophobicContact CB-CD1 4.01Å; K160-I197 HydrophobicContact CB-CG1 4.5Å; K160-I197 HydrophobicContact CD-CD1 4.06Å; L161-I197 PolarHBondContact O-N 2.86Å; M162-I197 CarbonylContact C-O 3.59Å; M162-I197 WeakPolarHBondContact CA-O 3.41Å; M162-I197 HydrophobicContact CB-CB 4.29Å; M162-I197 HydrophobicContact CG-CB 4.24Å; M162-I197 HydrophobicContact CG-CG2 4.2Å; I163-I197 PolarHBondContact N-O 2.85Å; I197-R215 WeakPolarHBondContact CA-O 3.26Å; I197-Y216 HydrophobicContact CB-CD2 4.46Å; I197-Y216 HydrophobicContact CG1-CD2 3.55Å; I197-Y216 HydrophobicContact CG1-CE2 3.85Å; I197-A232 HydrophobicContact CD1-CB 3.91Å; I197-A232 HydrophobicContact CG1-CB 3.97Å; I197-V235 HydrophobicContact CD1-CB 4.01Å; I197-V235 HydrophobicContact CD1-CG1 4.2Å; I197-V235 HydrophobicContact CD1-CG2 4.45Å; I197-L236 HydrophobicContact CD1-CG 4.46Å; I197-L236 HydrophobicContact CG2-CD1 3.8Å; I197-L236 HydrophobicContact CG2-CD2 3.71Å; I197-L236 HydrophobicContact CG2-CG 3.87Å
198	V	98.9	Very high	91.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.6	166.7	-170.5	0	0	0	0	108	A143 V144 I163 L165 L174 L177 V196 S214 R215 F217	A143-V198 HydrophobicContact CB-CG2 4.46Å; V144-V198 HydrophobicContact CG1-CB 4.33Å; V144-V198 HydrophobicContact CG1-CG1 3.55Å; V144-V198 HydrophobicContact CG1-CG2 3.75Å; I163-V198 WeakPolarHBondContact O-CA 3.5Å; L165-V198 HydrophobicContact CD1-CG1 4.04Å; L165-V198 HydrophobicContact CD2-CG1 4.3Å; L165-V198 HydrophobicContact CG-CG1 3.96Å; L174-V198 HydrophobicContact CD2-CB 4.03Å; L174-V198 HydrophobicContact CD2-CG1 3.58Å; L177-V198 HydrophobicContact CD1-CB 4.34Å; L177-V198 HydrophobicContact CD1-CG1 4Å; L177-V198 HydrophobicContact CD1-CG2 4.4Å; V196-V198 HydrophobicContact CG1-CG2 4.13Å; V198-S214 CarbonylContact O-C 3.6Å; V198-S214 WeakPolarHBondContact O-CA 3.49Å; V198-R215 PolarHBondContact N-O 2.7Å; V198-R215 PolarHBondContact O-N 2.75Å; V198-F217 HydrophobicContact CG2-CD2 4.3Å; V198-F217 HydrophobicContact CG2-CE2 3.92Å
199	T	98.8	Very high	91.4	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.4	-173	-169.7	0	0	0	0	112.8	M162 I163 R164 L165 Y213 L236 W240	M162-T199 HydrophobicContact CG-CG2 3.95Å; M162-T199 HydrophobicContact SD-CG2 4.05Å; I163-T199 PolarHBondContact O-N 3.25Å; R164-T199 HydrophobicContact CB-CG2 4.09Å; R164-T199 HydrophobicContact CG-CG2 4.27Å; L165-T199 PolarHBondContact N-O 2.99Å; T199-Y213 VanDerWaalsContact CA-O 3.25Å; T199-Y213 WeakPolarHBondContact CA-O 3.46Å; T199-Y213 WeakPolarHBondContact CB-O 3.39Å; T199-Y213 PolarHBondContact OG1-O 3.18Å; T199-L236 HydrophobicContact CG2-CD2 3.84Å; T199-L236 WeakPolarHBondContact OG1-CD2 3.49Å; T199-W240 HydrophobicContact CG2-CZ2 4.02Å; T199-W240 PolarHBondContact OG1-NE1 3.38Å
200	T	97.9	Very high	91.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	157.2	172.3	67.4	0	0	0	0	109	L165 C169 L174 Y213 W240	L165-T200 HydrophobicContact CB-CG2 3.89Å; L165-T200 HydrophobicContact CD1-CG2 3.86Å; L165-T200 HydrophobicContact CG-CG2 4.27Å; C169-T200 HydrophobicContact CB-CG2 4.15Å; L174-T200 HydrophobicContact CD1-CG2 3.91Å; L174-T200 HydrophobicContact CD2-CG2 4.14Å; L174-T200 HydrophobicContact CG-CG2 3.78Å; T200-Y213 PolarHBondContact N-O 3.1Å; T200-Y213 VanDerWaalsContact N-O 3.13Å; T200-Y213 PolarHBondContact O-N 2.95Å; T200-Y213 VanDerWaalsContact O-N 3.07Å; T200-W240 VanDerWaalsContact C-CZ2 3.43Å; T200-W240 WeakPolarHBondContact O-CZ2 3.33Å
201	K	97.2	Very high	91.9	Very high	94 Å²	94	49.9 Å²	49.9	41%	0.409	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	145.3	166.5	-167	174.2	-179.1	178.7	0	109.3	W240	K201-W240 HydrophobicContact CB-CH2 3.71Å; K201-W240 HydrophobicContact CB-CZ3 3.91Å; K201-W240 HydrophobicContact CG-CH2 4.33Å; K201-W240 HydrophobicContact CG-CZ3 4.02Å; K201-W240 VanDerWaalsContact N-CH2 3.25Å
202	G	95.4	Very high	92.3	Very high	10 Å²	10	48.2 Å²	48.2	10%	0.103	25%	0.25	C	S	.	.			trans	-85.5	179.8	-179.8	0	0	0	0	0	112.8	F210 D211	G202-F210 CarbonylContact C-O 3.58Å; G202-F210 VanDerWaalsContact CA-O 3.26Å; G202-F210 WeakPolarHBondContact CA-O 3.47Å; G202-D211 VanDerWaalsContact CA-O 3.29Å; G202-D211 WeakPolarHBondContact CA-O 3.36Å; G202-D211 PolarHBondContact N-O 2.94Å
203	S	90.5	Very high	92.5	Very high	50 Å²	50	43 Å²	43	35%	0.35	23%	0.231	S	C	.	.			trans	-125	82.4	176.1	-54.7	0	0	0	0	108.4	D205 C206 G209 F210	S203-D205 PolarHBondContact O-N 3.39Å; S203-C206 PolarHBondContact O-N 3.23Å; S203-C206 VanDerWaalsContact O-N 3.17Å; S203-G209 WeakPolarHBondContact O-CA 3.27Å; S203-F210 CarbonylContact C-O 3.57Å; S203-F210 PolarHBondContact N-O 3Å
204	P	79.9	Confident	92.7	Very high	61 Å²	61	43 Å²	43	40%	0.396	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.1	-174.2	26.3	-34.8	0	0	0	113.1	C206	P204-C206 VanDerWaalsContact C-N 3.32Å
205	D	84.6	Confident	93	Very high	159 Å²	159	36.8 Å²	36.8	85%	0.85	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.5	179.5	-54.2	-48.2	0	0	0	113.3	S203	S203-D205 PolarHBondContact O-N 3.39Å
206	C	80.6	Confident	93	Very high	71 Å²	71	37.7 Å²	37.7	48%	0.48	21%	0.211	S	C	.	.	S	Bend	trans	-82.3	170	172.6	-64.9	0	0	0	0	111.5	S203 P204 P208 G209	S203-C206 PolarHBondContact O-N 3.23Å; S203-C206 VanDerWaalsContact O-N 3.17Å; P204-C206 VanDerWaalsContact C-N 3.32Å; C206-P208 CarbonylContact O-C 3.48Å; C206-G209 WeakPolarHBondContact O-CA 3.37Å; C206-G209 PolarHBondContact O-N 3.33Å
207	Q	76.9	Confident	93	Very high	179 Å²	179	37.9 Å²	37.9	84%	0.836	21%	0.212	S	C	*	.	S	Bend	trans	-125.1	118.2	175.7	-71.1	-63	-38	0	0	111.1
208	P	79.2	Confident	92.8	Very high	78 Å²	78	38.1 Å²	38.1	51%	0.506	21%	0.213	S	C	.	.	S	Bend	cis	-68.1	139.7	-9.8	26.4	-31.4	0	0	0	112.4	C206 F210	C206-P208 CarbonylContact O-C 3.48Å; P208-F210 HydrophobicContact CB-CE2 3.81Å; P208-F210 HydrophobicContact CB-CZ 3.93Å; P208-F210 HydrophobicContact CG-CE2 3.74Å; P208-F210 HydrophobicContact CG-CZ 4.07Å
209	G	89.5	Confident	92.6	Very high	18 Å²	18	38.8 Å²	38.8	19%	0.186	22%	0.218	C	C	.	.			trans	-95.1	133.4	-177.6	0	0	0	0	0	111.4	S203 C206	S203-G209 WeakPolarHBondContact O-CA 3.27Å; C206-G209 WeakPolarHBondContact O-CA 3.37Å; C206-G209 PolarHBondContact O-N 3.33Å
210	F	96.8	Very high	92.2	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.229	C	C	.	.			trans	-128	146.6	-179.3	-62	-80.3	0	0	0	110.2	G202 S203 P208 Y213 L250 Y252 E260	G202-F210 CarbonylContact C-O 3.58Å; G202-F210 VanDerWaalsContact CA-O 3.26Å; G202-F210 WeakPolarHBondContact CA-O 3.47Å; S203-F210 CarbonylContact C-O 3.57Å; S203-F210 PolarHBondContact N-O 3Å; P208-F210 HydrophobicContact CB-CE2 3.81Å; P208-F210 HydrophobicContact CB-CZ 3.93Å; P208-F210 HydrophobicContact CG-CE2 3.74Å; P208-F210 HydrophobicContact CG-CZ 4.07Å; F210-Y213 HydrophobicContact CB-CD1 4.38Å; F210-Y213 HydrophobicContact CB-CE1 3.68Å; F210-Y213 AromaticContact CD2-CE1 3.51Å; F210-Y213 HydrophobicContact CD2-CE1 3.51Å; F210-Y213 HydrophobicContact CE2-CE1 4.44Å; F210-Y213 AromaticContact CG-CE1 3.85Å; F210-Y213 HydrophobicContact CG-CE1 3.85Å; F210-L250 HydrophobicContact CD1-CD2 3.86Å; F210-L250 HydrophobicContact CD1-CG 3.71Å; F210-L250 HydrophobicContact CE1-CD2 3.81Å; F210-L250 HydrophobicContact CE1-CG 3.91Å; F210-Y252 HydrophobicContact CD1-CD2 4.47Å; F210-Y252 HydrophobicContact CD2-CG 4.5Å; F210-Y252 AromaticContact CE1-CD2 3.78Å; F210-Y252 HydrophobicContact CE1-CD2 3.78Å; F210-Y252 HydrophobicContact CE1-CG 4.28Å; F210-Y252 AromaticContact CE2-CD2 3.81Å; F210-Y252 HydrophobicContact CE2-CD2 3.81Å; F210-Y252 HydrophobicContact CE2-CG 4.14Å; F210-Y252 AromaticContact CZ-CD2 3.38Å; F210-Y252 HydrophobicContact CZ-CD2 3.38Å; F210-Y252 HydrophobicContact CZ-CE2 4.2Å; F210-Y252 HydrophobicContact CZ-CG 4.06Å; F210-E260 HydrophobicContact CE1-CG 3.8Å; F210-E260 HydrophobicContact CZ-CG 3.97Å
211	D	97.8	Very high	91.6	Very high	20 Å²	20	43.1 Å²	43.1	11%	0.107	24%	0.241	C	C	.	.	S	Bend	trans	-73.3	-33.6	177.6	-72	-70.5	0	0	0	111.9	G202 L244 K246 M249 L250	G202-D211 VanDerWaalsContact CA-O 3.29Å; G202-D211 WeakPolarHBondContact CA-O 3.36Å; G202-D211 PolarHBondContact N-O 2.94Å; D211-L244 HydrophobicContact CB-CD1 3.87Å; D211-K246 IonicContact OD1-NZ 3.89Å; D211-K246 PolarHBondContact OD1-NZ 3.4Å; D211-M249 HydrophobicContact CB-CB 4.11Å; D211-M249 HydrophobicContact CB-CG 4.33Å; D211-M249 VanDerWaalsContact OD2-CA 3.25Å; D211-M249 WeakPolarHBondContact OD2-CA 3.43Å; D211-L250 PolarHBondContact N-O 3.25Å; D211-L250 PolarHBondContact OD2-N 3.5Å
212	F	98.3	Very high	91.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	161.1	173.1	66.1	-91.7	0	0	0	113.2	H233 L236 W240 M249 A251 Y252 L263	F212-H233 AromaticContact CE2-CD2 3.89Å; F212-H233 AromaticContact CZ-CD2 3.91Å; F212-L236 HydrophobicContact CD2-CD2 4.47Å; F212-L236 HydrophobicContact CE2-CB 3.8Å; F212-L236 HydrophobicContact CE2-CD1 4.08Å; F212-L236 HydrophobicContact CE2-CD2 4.22Å; F212-L236 HydrophobicContact CE2-CG 4.27Å; F212-L236 HydrophobicContact CZ-CB 3.95Å; F212-W240 HydrophobicContact CB-CD2 3.76Å; F212-W240 HydrophobicContact CB-CE3 4.42Å; F212-W240 HydrophobicContact CB-CG 3.92Å; F212-W240 HydrophobicContact CB-CZ2 4.14Å; F212-W240 HydrophobicContact CD1-CB 3.67Å; F212-W240 AromaticContact CD1-CD1 3.52Å; F212-W240 HydrophobicContact CD1-CD2 4.26Å; F212-W240 AromaticContact CD1-CG 3.54Å; F212-W240 HydrophobicContact CD1-CG 3.54Å; F212-W240 AromaticContact CD2-CD1 3.45Å; F212-W240 VanDerWaalsContact CD2-CD1 3.45Å; F212-W240 HydrophobicContact CD2-CG 4.25Å; F212-W240 AromaticContact CD2-NE1 3.54Å; F212-W240 HydrophobicContact CE1-CB 3.85Å; F212-W240 AromaticContact CE1-CD1 3.81Å; F212-W240 HydrophobicContact CE1-CG 4Å; F212-W240 AromaticContact CE2-CD1 3.76Å; F212-W240 HydrophobicContact CG-CB 4.3Å; F212-W240 AromaticContact CG-CD1 3.3Å; F212-W240 HydrophobicContact CG-CD2 4.06Å; F212-W240 AromaticContact CG-CG 3.65Å; F212-W240 HydrophobicContact CG-CG 3.65Å; F212-W240 AromaticContact CG-NE1 3.52Å; F212-W240 AromaticContact CZ-CD1 3.9Å; F212-M249 HydrophobicContact CD1-SD 4.44Å; F212-M249 HydrophobicContact CE1-CB 4.32Å; F212-M249 HydrophobicContact CE1-SD 4.13Å; F212-A251 HydrophobicContact CD1-CB 4.32Å; F212-A251 HydrophobicContact CD2-CB 4.09Å; F212-A251 HydrophobicContact CE1-CB 3.79Å; F212-A251 HydrophobicContact CE2-CB 3.5Å; F212-A251 VanDerWaalsContact CE2-CB 3.5Å; F212-A251 HydrophobicContact CG-CB 4.48Å; F212-A251 HydrophobicContact CZ-CB 3.36Å; F212-Y252 PolarHBondContact O-N 3.33Å; F212-L263 HydrophobicContact CE1-CD1 3.84Å; F212-L263 HydrophobicContact CZ-CD1 3.5Å
213	Y	98.4	Very high	90.7	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.6	177.1	-58.6	-69.5	0	0	0	110.9	R171 T199 T200 F210 Y252	R171-Y213 HydrophobicContact CB-CD2 4.06Å; R171-Y213 HydrophobicContact CB-CE2 4.03Å; R171-Y213 HydrophobicContact CB-CG 4.44Å; R171-Y213 HydrophobicContact CG-CD1 4.22Å; R171-Y213 HydrophobicContact CG-CD2 4.36Å; R171-Y213 HydrophobicContact CG-CE1 4.37Å; R171-Y213 HydrophobicContact CG-CE2 4.47Å; R171-Y213 HydrophobicContact CG-CG 4.25Å; T199-Y213 VanDerWaalsContact CA-O 3.25Å; T199-Y213 WeakPolarHBondContact CA-O 3.46Å; T199-Y213 WeakPolarHBondContact CB-O 3.39Å; T199-Y213 PolarHBondContact OG1-O 3.18Å; T200-Y213 PolarHBondContact N-O 3.1Å; T200-Y213 VanDerWaalsContact N-O 3.13Å; T200-Y213 PolarHBondContact O-N 2.95Å; T200-Y213 VanDerWaalsContact O-N 3.07Å; F210-Y213 HydrophobicContact CB-CD1 4.38Å; F210-Y213 HydrophobicContact CB-CE1 3.68Å; F210-Y213 AromaticContact CD2-CE1 3.51Å; F210-Y213 HydrophobicContact CD2-CE1 3.51Å; F210-Y213 HydrophobicContact CE2-CE1 4.44Å; F210-Y213 AromaticContact CG-CE1 3.85Å; F210-Y213 HydrophobicContact CG-CE1 3.85Å; Y213-Y252 VanDerWaalsContact CA-O 3.32Å; Y213-Y252 WeakPolarHBondContact CA-O 3.45Å
214	S	98.8	Very high	90.9	Very high	1 Å²	1	43 Å²	43	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164.5	175	69.2	0	0	0	0	113.9	V198 Y252 Q253 C254	V198-S214 CarbonylContact O-C 3.6Å; V198-S214 WeakPolarHBondContact O-CA 3.49Å; S214-Y252 PolarHBondContact N-O 3.02Å; S214-Q253 CarbonylContact O-C 3.56Å; S214-Q253 WeakPolarHBondContact O-CA 3.27Å; S214-C254 PolarHBondContact O-N 3Å
215	R	98.7	Very high	91.7	Very high	21 Å²	21	42.5 Å²	42.5	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	155	157.7	-72.6	-178.8	67.4	-176.1	-1.2	108.3	L174 L177 I197 V198 F217 E225 C254	L174-R215 HydrophobicContact CB-CG 4.47Å; L174-R215 WeakPolarHBondContact O-CD 3.3Å; L174-R215 PolarHBondContact O-NH1 3.18Å; L177-R215 PolarHBondContact O-NH1 3.28Å; I197-R215 WeakPolarHBondContact CA-O 3.26Å; V198-R215 PolarHBondContact N-O 2.7Å; V198-R215 PolarHBondContact O-N 2.75Å; R215-F217 HydrophobicContact CB-CE2 3.96Å; R215-F217 HydrophobicContact CB-CZ 3.96Å; R215-E225 IonicContact CZ-OE1 3.85Å; R215-E225 VanDerWaalsContact CZ-OE1 3.3Å; R215-E225 IonicContact CZ-OE2 2.73Å; R215-E225 IonicContact NE-OE1 3.25Å; R215-E225 PolarHBondContact NE-OE1 2.9Å; R215-E225 IonicContact NE-OE2 2.84Å; R215-E225 IonicContact NH2-OE1 2.7Å; R215-E225 PolarHBondContact NH2-OE1 2.69Å; R215-E225 VanDerWaalsContact NH2-OE1 3.09Å; R215-E225 IonicContact NH2-OE2 3.71Å; R215-E225 PolarHBondContact NH2-OE2 3Å; R215-C254 WeakPolarHBondContact CD-O 3.44Å; R215-C254 HydrophobicContact CG-CB 4.12Å
216	Y	98.4	Very high	92.1	Very high	19 Å²	19	35.3 Å²	35.3	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125	-179.5	-173.7	-105.7	0	0	0	112.1	K160 V196 I197 A218 E225 D226 T229 A232	K160-Y216 HydrophobicContact CD-CE2 3.78Å; K160-Y216 VanDerWaalsContact CE-OH 3.31Å; K160-Y216 WeakPolarHBondContact CE-OH 3.48Å; K160-Y216 HydrophobicContact CG-CE2 4.12Å; V196-Y216 WeakPolarHBondContact O-CA 3.36Å; I197-Y216 HydrophobicContact CB-CD2 4.46Å; I197-Y216 HydrophobicContact CG1-CD2 3.55Å; I197-Y216 HydrophobicContact CG1-CE2 3.85Å; Y216-A218 HydrophobicContact CD1-CB 4.31Å; Y216-A218 HydrophobicContact CE1-CB 3.62Å; Y216-E225 WeakPolarHBondContact O-CG 3.14Å; Y216-D226 HydrophobicContact CD1-CB 3.71Å; Y216-D226 HydrophobicContact CE1-CB 4.46Å; Y216-D226 PolarHBondContact O-N 2.93Å; Y216-T229 WeakPolarHBondContact CB-OG1 3.24Å; Y216-T229 HydrophobicContact CD1-CG2 3.63Å; Y216-T229 VanDerWaalsContact CD1-OG1 3.28Å; Y216-T229 WeakPolarHBondContact CD1-OG1 3.06Å; Y216-T229 HydrophobicContact CE1-CG2 3.75Å; Y216-T229 HydrophobicContact CG-CG2 4.04Å; Y216-A232 HydrophobicContact CD2-CB 3.96Å; Y216-A232 HydrophobicContact CE2-CB 4.28Å; Y216-A232 HydrophobicContact CG-CB 4.39Å
217	F	97.8	Very high	92.9	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129	-179.5	-52.1	-78.7	0	0	0	109.6	V179 L184 G195 V196 V198 R215 E225	V179-F217 HydrophobicContact CB-CD1 4.15Å; V179-F217 HydrophobicContact CB-CE1 3.86Å; V179-F217 HydrophobicContact CB-CZ 4.13Å; V179-F217 HydrophobicContact CG1-CD1 4.23Å; V179-F217 HydrophobicContact CG1-CE1 4.41Å; V179-F217 HydrophobicContact CG1-CG 4.4Å; V179-F217 HydrophobicContact CG2-CD1 4.27Å; V179-F217 HydrophobicContact CG2-CD2 4.38Å; V179-F217 HydrophobicContact CG2-CE1 3.69Å; V179-F217 HydrophobicContact CG2-CE2 3.81Å; V179-F217 HydrophobicContact CG2-CZ 3.41Å; V179-F217 VanDerWaalsContact CG2-CZ 3.41Å; L184-F217 HydrophobicContact CD2-CB 3.56Å; L184-F217 HydrophobicContact CD2-CG 4.24Å; G195-F217 CarbonylContact C-O 3.5Å; G195-F217 VanDerWaalsContact CA-O 3.24Å; G195-F217 WeakPolarHBondContact CA-O 3.33Å; V196-F217 PolarHBondContact N-O 2.96Å; V196-F217 PolarHBondContact O-N 2.8Å; V198-F217 HydrophobicContact CG2-CD2 4.3Å; V198-F217 HydrophobicContact CG2-CE2 3.92Å; R215-F217 HydrophobicContact CB-CE2 3.96Å; R215-F217 HydrophobicContact CB-CZ 3.96Å; F217-E225 HydrophobicContact CD1-CB 3.88Å; F217-E225 HydrophobicContact CD1-CG 3.99Å; F217-E225 HydrophobicContact CE1-CB 4.09Å; F217-E225 HydrophobicContact CE1-CG 3.91Å
218	A	94.1	Very high	93.9	Very high	5 Å²	5	24.2 Å²	24.2	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	53.3	-177.7	0	0	0	0	0	112.6	Y216 W220 A221 I223	Y216-A218 HydrophobicContact CD1-CB 4.31Å; Y216-A218 HydrophobicContact CE1-CB 3.62Å; A218-W220 PolarHBondContact O-N 2.86Å; A218-W220 VanDerWaalsContact O-N 3.13Å; A218-A221 HydrophobicContact CB-CB 4.31Å; A218-A221 WeakPolarHBondContact O-CA 3.28Å; A218-A221 WeakPolarHBondContact O-CB 3.43Å; A218-A221 PolarHBondContact O-N 2.83Å; A218-I223 CarbonylContact C-O 3.48Å; A218-I223 WeakPolarHBondContact CA-O 3.33Å; A218-I223 PolarHBondContact N-O 3.26Å; A218-I223 PolarHBondContact O-N 3.02Å
219	P	94.6	Very high	94.6	Very high	15 Å²	15	20.7 Å²	20.7	10%	0.097	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.9	-26.7	-176	27.8	-37.1	0	0	0	112.6	P181 L184 L185 A221 G222 I223	P181-P219 HydrophobicContact CB-CB 4.32Å; L184-P219 HydrophobicContact CB-CG 4.2Å; L184-P219 HydrophobicContact CD2-CG 3.92Å; L184-P219 HydrophobicContact CG-CG 3.98Å; L185-P219 HydrophobicContact CB-CB 4.12Å; L185-P219 HydrophobicContact CB-CG 4.31Å; P219-A221 PolarHBondContact O-N 2.81Å; P219-G222 PolarHBondContact O-N 3.37Å; P219-I223 VanDerWaalsContact N-O 3.15Å
220	W	91.9	Very high	94.8	Very high	62 Å²	62	19.9 Å²	19.9	24%	0.235	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-63.3	-16.9	172.4	-60.5	-89.4	0	0	0	114.1	L184 L185 D188 V193 V196 A218	L184-W220 HydrophobicContact CD1-CH2 4.08Å; L184-W220 HydrophobicContact CD2-CZ3 4.41Å; L184-W220 HydrophobicContact CG-CH2 3.84Å; L184-W220 HydrophobicContact CG-CZ3 4.17Å; L184-W220 WeakPolarHBondContact O-CH2 3.37Å; L184-W220 WeakPolarHBondContact O-CZ2 3.41Å; L185-W220 HydrophobicContact CD1-CB 4.29Å; L185-W220 VanDerWaalsContact CD1-CD1 3.45Å; L185-W220 HydrophobicContact CD1-CD2 4.27Å; L185-W220 HydrophobicContact CD1-CG 3.76Å; L185-W220 PolarHBondContact O-NE1 2.91Å; D188-W220 HydrophobicContact CB-CZ2 3.94Å; D188-W220 PolarHBondContact O-NE1 3.39Å; V193-W220 HydrophobicContact CG1-CH2 4.05Å; V193-W220 HydrophobicContact CG1-CZ3 4.05Å; V196-W220 HydrophobicContact CG2-CH2 4.18Å; V196-W220 HydrophobicContact CG2-CZ3 4.04Å; A218-W220 PolarHBondContact O-N 2.86Å; A218-W220 VanDerWaalsContact O-N 3.13Å
221	A	85.1	Confident	94.6	Very high	29 Å²	29	20.7 Å²	20.7	24%	0.24	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-101.1	8.9	173.2	0	0	0	0	0	112.5	A218 P219 I223	A218-A221 HydrophobicContact CB-CB 4.31Å; A218-A221 WeakPolarHBondContact O-CA 3.28Å; A218-A221 WeakPolarHBondContact O-CB 3.43Å; A218-A221 PolarHBondContact O-N 2.83Å; P219-A221 PolarHBondContact O-N 2.81Å; A221-I223 VanDerWaalsContact C-N 3.27Å; A221-I223 PolarHBondContact O-N 2.8Å
222	G	85.9	Confident	94.6	Very high	52 Å²	52	19.8 Å²	19.8	54%	0.536	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	7.2	-175.3	0	0	0	0	0	114.4	P219	P219-G222 PolarHBondContact O-N 3.37Å
223	I	88.1	Confident	94.5	Very high	20 Å²	20	19.8 Å²	19.8	10%	0.103	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.5	-178.2	-58.2	172.6	0	0	0	108.8	T71 A218 P219 A221 E225 D226	T71-I223 HydrophobicContact CG2-CD1 4.15Å; A218-I223 CarbonylContact C-O 3.48Å; A218-I223 WeakPolarHBondContact CA-O 3.33Å; A218-I223 PolarHBondContact N-O 3.26Å; A218-I223 PolarHBondContact O-N 3.02Å; P219-I223 VanDerWaalsContact N-O 3.15Å; A221-I223 VanDerWaalsContact C-N 3.27Å; A221-I223 PolarHBondContact O-N 2.8Å; I223-E225 PolarHBondContact O-N 3.3Å; I223-D226 HydrophobicContact CG2-CB 4.21Å
224	P	93.8	Very high	94.4	Very high	78 Å²	78	19.4 Å²	19.4	51%	0.506	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	-50	-179.6	-29	36.7	0	0	0	113.1	P181	P181-P224 HydrophobicContact CB-CB 3.86Å; P181-P224 HydrophobicContact CB-CG 4.45Å; P181-P224 HydrophobicContact CG-CB 4.17Å
225	E	95.9	Very high	94.4	Very high	51 Å²	51	19.4 Å²	19.4	24%	0.238	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	131.5	173.8	179.7	174.8	-166.4	0	0	108.5	R215 Y216 F217 I223	R215-E225 IonicContact CZ-OE1 3.85Å; R215-E225 VanDerWaalsContact CZ-OE1 3.3Å; R215-E225 IonicContact CZ-OE2 2.73Å; R215-E225 IonicContact NE-OE1 3.25Å; R215-E225 PolarHBondContact NE-OE1 2.9Å; R215-E225 IonicContact NE-OE2 2.84Å; R215-E225 IonicContact NH2-OE1 2.7Å; R215-E225 PolarHBondContact NH2-OE1 2.69Å; R215-E225 VanDerWaalsContact NH2-OE1 3.09Å; R215-E225 IonicContact NH2-OE2 3.71Å; R215-E225 PolarHBondContact NH2-OE2 3Å; Y216-E225 WeakPolarHBondContact O-CG 3.14Å; F217-E225 HydrophobicContact CD1-CB 3.88Å; F217-E225 HydrophobicContact CD1-CG 3.99Å; F217-E225 HydrophobicContact CE1-CB 4.09Å; F217-E225 HydrophobicContact CE1-CG 3.91Å; I223-E225 PolarHBondContact O-N 3.3Å
226	D	94.6	Very high	94.4	Very high	9 Å²	9	18.4 Å²	18.4	5%	0.048	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.3	176.3	-171.2	16.9	0	0	0	109.4	N19 Y216 I223 V228 T229 Q253	N19-D226 PolarHBondContact ND2-OD1 3.24Å; Y216-D226 HydrophobicContact CD1-CB 3.71Å; Y216-D226 HydrophobicContact CE1-CB 4.46Å; Y216-D226 PolarHBondContact O-N 2.93Å; I223-D226 HydrophobicContact CG2-CB 4.21Å; D226-V228 PolarHBondContact O-N 2.93Å; D226-T229 WeakPolarHBondContact CB-OG1 3.44Å; D226-T229 VanDerWaalsContact CG-OG1 3.22Å; D226-T229 VanDerWaalsContact OD2-CB 3.27Å; D226-T229 WeakPolarHBondContact OD2-CB 3.42Å; D226-T229 VanDerWaalsContact OD2-CG2 3.29Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.4Å; D226-T229 PolarHBondContact OD2-OG1 3.19Å; D226-Q253 PolarHBondContact O-NE2 3.13Å
227	P	96.4	Very high	94.4	Very high	16 Å²	16	17.5 Å²	17.5	10%	0.104	11%	0.112	C	C	.	.	S	Bend	trans	-60.5	-47.5	-174.4	-29.3	36.3	0	0	0	114.8	G18 N19 Q253 S255 R257	G18-P227 WeakPolarHBondContact O-CB 3.44Å; N19-P227 HydrophobicContact CB-CB 4.14Å; P227-Q253 WeakPolarHBondContact O-CG 3.46Å; P227-Q253 PolarHBondContact O-NE2 2.74Å; P227-S255 WeakPolarHBondContact CA-OG 3.23Å; P227-S255 VanDerWaalsContact O-CB 3.28Å; P227-S255 WeakPolarHBondContact O-CB 3.34Å; P227-S255 PolarHBondContact O-OG 3.46Å; P227-R257 HydrophobicContact CB-CB 4.22Å; P227-R257 HydrophobicContact CB-CG 4.43Å
228	V	97.4	Very high	94.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-149.1	117.9	178.4	-166.4	0	0	0	0	111	F11 N19 D226 Q253 L261	F11-V228 HydrophobicContact CB-CB 4.16Å; F11-V228 HydrophobicContact CB-CG1 3.64Å; F11-V228 HydrophobicContact CB-CG2 4.32Å; F11-V228 HydrophobicContact CD2-CB 3.84Å; F11-V228 HydrophobicContact CD2-CG1 3.51Å; F11-V228 HydrophobicContact CE2-CG1 4.25Å; F11-V228 HydrophobicContact CG-CB 4.33Å; F11-V228 HydrophobicContact CG-CG1 3.68Å; N19-V228 HydrophobicContact CB-CB 3.96Å; N19-V228 HydrophobicContact CB-CG2 4.28Å; N19-V228 PolarHBondContact ND2-N 3.22Å; N19-V228 PolarHBondContact ND2-O 2.9Å; D226-V228 PolarHBondContact O-N 2.93Å; V228-Q253 HydrophobicContact CG1-CB 4.27Å; V228-L261 HydrophobicContact CG1-CD1 3.67Å; V228-L261 HydrophobicContact CG1-CD2 4.09Å; V228-L261 HydrophobicContact CG1-CG 4.04Å
229	T	95.6	Very high	94.6	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.025	12%	0.116	C	C	.	.			trans	-115.9	92.9	-164.1	-45.2	0	0	0	0	111.9	Y216 D226 S231 A232 H233 Q253	Y216-T229 WeakPolarHBondContact CB-OG1 3.24Å; Y216-T229 HydrophobicContact CD1-CG2 3.63Å; Y216-T229 VanDerWaalsContact CD1-OG1 3.28Å; Y216-T229 WeakPolarHBondContact CD1-OG1 3.06Å; Y216-T229 HydrophobicContact CE1-CG2 3.75Å; Y216-T229 HydrophobicContact CG-CG2 4.04Å; D226-T229 WeakPolarHBondContact CB-OG1 3.44Å; D226-T229 VanDerWaalsContact CG-OG1 3.22Å; D226-T229 VanDerWaalsContact OD2-CB 3.27Å; D226-T229 WeakPolarHBondContact OD2-CB 3.42Å; D226-T229 VanDerWaalsContact OD2-CG2 3.29Å; D226-T229 WeakPolarHBondContact OD2-CG2 3.4Å; D226-T229 PolarHBondContact OD2-OG1 3.19Å; T229-S231 VanDerWaalsContact C-N 3.26Å; T229-S231 PolarHBondContact O-N 2.94Å; T229-A232 HydrophobicContact CG2-CB 3.75Å; T229-A232 WeakPolarHBondContact O-CB 3.47Å; T229-A232 PolarHBondContact O-N 2.98Å; T229-H233 PolarHBondContact O-N 3.21Å; T229-H233 PolarHBondContact O-ND1 3.23Å; T229-Q253 PolarHBondContact OG1-NE2 2.87Å
230	G	93.8	Very high	94.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-55.2	-39.5	176.6	0	0	0	0	0	113.2	A232 H233 I273	G230-A232 VanDerWaalsContact C-N 3.28Å; G230-A232 PolarHBondContact O-N 2.84Å; G230-H233 WeakPolarHBondContact O-CB 3.35Å; G230-H233 PolarHBondContact O-N 2.92Å; G230-I273 WeakPolarHBondContact O-CD1 3.33Å
231	S	92	Very high	95.1	Very high	18 Å²	18	14.9 Å²	14.9	13%	0.126	10%	0.101	C	C	.	.	H	α-helix	trans	-68.8	-22.8	-180	79	0	0	0	0	113.8	K160 T229 H233 T234	K160-S231 VanDerWaalsContact CE-OG 3.29Å; K160-S231 WeakPolarHBondContact CE-OG 3.37Å; K160-S231 PolarHBondContact NZ-O 3.33Å; K160-S231 VanDerWaalsContact NZ-O 3.07Å; K160-S231 PolarHBondContact NZ-OG 2.89Å; T229-S231 VanDerWaalsContact C-N 3.26Å; T229-S231 PolarHBondContact O-N 2.94Å; S231-H233 VanDerWaalsContact C-N 3.32Å; S231-T234 PolarHBondContact O-OG1 3.12Å
232	A	96.4	Very high	95.6	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-72.4	-30.4	171.3	0	0	0	0	0	111.2	K160 I197 Y216 T229 G230 T234 V235 L236	K160-A232 HydrophobicContact CD-CB 4.36Å; I197-A232 HydrophobicContact CD1-CB 3.91Å; I197-A232 HydrophobicContact CG1-CB 3.97Å; Y216-A232 HydrophobicContact CD2-CB 3.96Å; Y216-A232 HydrophobicContact CE2-CB 4.28Å; Y216-A232 HydrophobicContact CG-CB 4.39Å; T229-A232 HydrophobicContact CG2-CB 3.75Å; T229-A232 WeakPolarHBondContact O-CB 3.47Å; T229-A232 PolarHBondContact O-N 2.98Å; G230-A232 VanDerWaalsContact C-N 3.28Å; G230-A232 PolarHBondContact O-N 2.84Å; A232-T234 PolarHBondContact O-N 2.97Å; A232-V235 WeakPolarHBondContact O-CB 3.38Å; A232-V235 PolarHBondContact O-N 2.92Å; A232-L236 HydrophobicContact CB-CD1 4.38Å; A232-L236 PolarHBondContact O-N 3.17Å
233	H	97.7	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-73.7	-13.9	179.1	-66.8	81.8	0	0	0	113.8	F212 T229 G230 S231 V235 G237 Q253 L261 L263 I271 I273	F212-H233 AromaticContact CE2-CD2 3.89Å; F212-H233 AromaticContact CZ-CD2 3.91Å; T229-H233 PolarHBondContact O-N 3.21Å; T229-H233 PolarHBondContact O-ND1 3.23Å; G230-H233 WeakPolarHBondContact O-CB 3.35Å; G230-H233 PolarHBondContact O-N 2.92Å; S231-H233 VanDerWaalsContact C-N 3.32Å; H233-V235 PolarHBondContact O-N 2.72Å; H233-G237 WeakPolarHBondContact O-CA 3.35Å; H233-G237 PolarHBondContact O-N 2.87Å; H233-Q253 PolarHBondContact CE1-OE1 3.11Å; H233-L261 HydrophobicContact CB-CD2 4.43Å; H233-L261 WeakPolarHBondContact ND1-CD2 3.38Å; H233-L263 HydrophobicContact CB-CD1 4.33Å; H233-L263 HydrophobicContact CB-CD2 3.97Å; H233-I271 WeakPolarHBondContact O-CD1 3.33Å; H233-I273 HydrophobicContact CB-CD1 4.04Å
234	T	95.9	Very high	96.7	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-25	165.3	70.9	0	0	0	0	113.4	F123 P124 N126 S231 A232 I271 I273	F123-T234 HydrophobicContact CB-CG2 3.71Å; F123-T234 HydrophobicContact CD1-CG2 4.37Å; F123-T234 HydrophobicContact CG-CG2 4.11Å; P124-T234 WeakPolarHBondContact O-CB 3.36Å; P124-T234 WeakPolarHBondContact O-CG2 3.47Å; N126-T234 PolarHBondContact N-O 2.94Å; N126-T234 VanDerWaalsContact ND2-CB 3.35Å; N126-T234 WeakPolarHBondContact ND2-CB 3.39Å; N126-T234 PolarHBondContact ND2-OG1 3.01Å; S231-T234 PolarHBondContact O-OG1 3.12Å; A232-T234 PolarHBondContact O-N 2.97Å; T234-I271 HydrophobicContact CG2-CG2 4.22Å; T234-I273 HydrophobicContact CG2-CD1 4.1Å
235	V	98.1	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-91.5	-51.4	175.7	-176.6	0	0	0	0	109.7	N126 P128 K160 I197 A232 H233 G237 S238 Y239	N126-V235 HydrophobicContact CB-CG2 3.98Å; P128-V235 HydrophobicContact CB-CG1 3.71Å; P128-V235 HydrophobicContact CG-CG1 3.68Å; K160-V235 HydrophobicContact CB-CG2 4.42Å; K160-V235 HydrophobicContact CD-CG2 4.28Å; I197-V235 HydrophobicContact CD1-CB 4.01Å; I197-V235 HydrophobicContact CD1-CG1 4.2Å; I197-V235 HydrophobicContact CD1-CG2 4.45Å; A232-V235 WeakPolarHBondContact O-CB 3.38Å; A232-V235 PolarHBondContact O-N 2.92Å; H233-V235 PolarHBondContact O-N 2.72Å; V235-G237 PolarHBondContact O-N 2.95Å; V235-S238 PolarHBondContact O-N 3.01Å; V235-Y239 PolarHBondContact O-N 2.83Å; V235-Y239 VanDerWaalsContact O-N 3.16Å
236	L	98.6	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-42.4	179.9	-72.3	157.6	0	0	0	112.2	M162 I197 T199 F212 A232 S238 Y239 W240	M162-L236 HydrophobicContact SD-CD2 3.83Å; I197-L236 HydrophobicContact CD1-CG 4.46Å; I197-L236 HydrophobicContact CG2-CD1 3.8Å; I197-L236 HydrophobicContact CG2-CD2 3.71Å; I197-L236 HydrophobicContact CG2-CG 3.87Å; T199-L236 HydrophobicContact CG2-CD2 3.84Å; T199-L236 WeakPolarHBondContact OG1-CD2 3.49Å; F212-L236 HydrophobicContact CD2-CD2 4.47Å; F212-L236 HydrophobicContact CE2-CB 3.8Å; F212-L236 HydrophobicContact CE2-CD1 4.08Å; F212-L236 HydrophobicContact CE2-CD2 4.22Å; F212-L236 HydrophobicContact CE2-CG 4.27Å; F212-L236 HydrophobicContact CZ-CB 3.95Å; A232-L236 HydrophobicContact CB-CD1 4.38Å; A232-L236 PolarHBondContact O-N 3.17Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 2.77Å; L236-Y239 PolarHBondContact O-N 3Å; L236-W240 WeakPolarHBondContact O-CB 3.17Å; L236-W240 PolarHBondContact O-N 2.8Å
237	G	98.2	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-38.7	-179.8	0	0	0	0	0	112.2	H233 V235 S241 M249 V265	H233-G237 WeakPolarHBondContact O-CA 3.35Å; H233-G237 PolarHBondContact O-N 2.87Å; V235-G237 PolarHBondContact O-N 2.95Å; G237-S241 WeakPolarHBondContact O-CB 3.29Å; G237-S241 PolarHBondContact O-N 3.01Å; G237-S241 VanDerWaalsContact O-N 3.09Å; G237-M249 WeakPolarHBondContact O-CE 3.07Å; G237-V265 WeakPolarHBondContact O-CG2 3.42Å
238	S	97.3	Very high	97.1	Very high	11 Å²	11	32.5 Å²	32.5	8%	0.077	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-53.5	172.3	-167.9	0	0	0	0	110.7	V235 L236 D242	V235-S238 PolarHBondContact O-N 3.01Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 2.77Å; S238-D242 PolarHBondContact O-N 2.76Å
239	Y	98.6	Very high	97.2	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-64.3	-51.7	-175.2	174.7	-99.9	0	0	0	113.1	E151 L153 M162 R164 V235 L236 S241 D242 V243	E151-Y239 PolarHBondContact OE2-OH 3.5Å; L153-Y239 HydrophobicContact CD1-CE2 4.15Å; L153-Y239 HydrophobicContact CD2-CD2 3.71Å; L153-Y239 HydrophobicContact CD2-CE2 3.78Å; M162-Y239 HydrophobicContact CE-CD1 3.64Å; M162-Y239 HydrophobicContact CE-CD2 3.51Å; M162-Y239 HydrophobicContact CE-CE1 4.08Å; M162-Y239 HydrophobicContact CE-CE2 3.95Å; M162-Y239 HydrophobicContact CE-CG 3.32Å; M162-Y239 HydrophobicContact SD-CD1 4.22Å; M162-Y239 HydrophobicContact SD-CG 4.26Å; R164-Y239 WeakPolarHBondContact CD-OH 2.9Å; R164-Y239 HydrophobicContact CG-CE1 4.01Å; R164-Y239 WeakPolarHBondContact CG-OH 3.18Å; R164-Y239 PolarHBondContact NH1-OH 2.95Å; V235-Y239 PolarHBondContact O-N 2.83Å; V235-Y239 VanDerWaalsContact O-N 3.16Å; L236-Y239 PolarHBondContact O-N 3Å; Y239-S241 VanDerWaalsContact C-N 3.34Å; Y239-S241 PolarHBondContact O-N 3.47Å; Y239-D242 PolarHBondContact O-N 2.91Å; Y239-V243 HydrophobicContact CD1-CG2 4.26Å; Y239-V243 HydrophobicContact CD2-CG2 4.26Å; Y239-V243 HydrophobicContact CE1-CG2 3.85Å; Y239-V243 HydrophobicContact CE2-CG2 3.87Å; Y239-V243 HydrophobicContact CG-CG2 4.45Å; Y239-V243 WeakPolarHBondContact O-CG2 3.19Å; Y239-V243 PolarHBondContact O-N 3.14Å
240	W	98.6	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71	-29.3	-176.5	-75.1	116.1	0	0	0	112.6	R164 T199 T200 K201 F212 L236 D242 V243 L244 M249	R164-W240 HydrophobicContact CG-CH2 4.44Å; R164-W240 HydrophobicContact CG-CZ2 4.38Å; T199-W240 HydrophobicContact CG2-CZ2 4.02Å; T199-W240 PolarHBondContact OG1-NE1 3.38Å; T200-W240 VanDerWaalsContact C-CZ2 3.43Å; T200-W240 WeakPolarHBondContact O-CZ2 3.33Å; K201-W240 HydrophobicContact CB-CH2 3.71Å; K201-W240 HydrophobicContact CB-CZ3 3.91Å; K201-W240 HydrophobicContact CG-CH2 4.33Å; K201-W240 HydrophobicContact CG-CZ3 4.02Å; K201-W240 VanDerWaalsContact N-CH2 3.25Å; F212-W240 HydrophobicContact CB-CD2 3.76Å; F212-W240 HydrophobicContact CB-CE3 4.42Å; F212-W240 HydrophobicContact CB-CG 3.92Å; F212-W240 HydrophobicContact CB-CZ2 4.14Å; F212-W240 HydrophobicContact CD1-CB 3.67Å; F212-W240 AromaticContact CD1-CD1 3.52Å; F212-W240 HydrophobicContact CD1-CD2 4.26Å; F212-W240 AromaticContact CD1-CG 3.54Å; F212-W240 HydrophobicContact CD1-CG 3.54Å; F212-W240 AromaticContact CD2-CD1 3.45Å; F212-W240 VanDerWaalsContact CD2-CD1 3.45Å; F212-W240 HydrophobicContact CD2-CG 4.25Å; F212-W240 AromaticContact CD2-NE1 3.54Å; F212-W240 HydrophobicContact CE1-CB 3.85Å; F212-W240 AromaticContact CE1-CD1 3.81Å; F212-W240 HydrophobicContact CE1-CG 4Å; F212-W240 AromaticContact CE2-CD1 3.76Å; F212-W240 HydrophobicContact CG-CB 4.3Å; F212-W240 AromaticContact CG-CD1 3.3Å; F212-W240 HydrophobicContact CG-CD2 4.06Å; F212-W240 AromaticContact CG-CG 3.65Å; F212-W240 HydrophobicContact CG-CG 3.65Å; F212-W240 AromaticContact CG-NE1 3.52Å; F212-W240 AromaticContact CZ-CD1 3.9Å; L236-W240 WeakPolarHBondContact O-CB 3.17Å; L236-W240 PolarHBondContact O-N 2.8Å; W240-D242 VanDerWaalsContact C-N 3.3Å; W240-D242 PolarHBondContact O-N 2.81Å; W240-V243 HydrophobicContact CE3-CB 4.13Å; W240-V243 HydrophobicContact CE3-CG1 3.96Å; W240-V243 HydrophobicContact CZ3-CB 4.47Å; W240-V243 HydrophobicContact CZ3-CG1 3.85Å; W240-V243 PolarHBondContact O-N 3.15Å; W240-L244 HydrophobicContact CB-CD1 4.33Å; W240-L244 HydrophobicContact CE3-CD1 4.26Å; W240-L244 HydrophobicContact CE3-CD2 4.31Å; W240-L244 HydrophobicContact CE3-CG 4.08Å; W240-L244 WeakPolarHBondContact O-CB 3.38Å; W240-L244 WeakPolarHBondContact O-CG 3.42Å; W240-L244 PolarHBondContact O-N 3.29Å; W240-M249 VanDerWaalsContact C-SD 3.59Å; W240-M249 HydrophobicContact CB-SD 3.78Å
241	S	98.4	Very high	97.4	Very high	5 Å²	5	35 Å²	35	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-45.8	171.6	164.8	0	0	0	0	110.9	G237 Y239 G245 K246	G237-S241 WeakPolarHBondContact O-CB 3.29Å; G237-S241 PolarHBondContact O-N 3.01Å; G237-S241 VanDerWaalsContact O-N 3.09Å; Y239-S241 VanDerWaalsContact C-N 3.34Å; Y239-S241 PolarHBondContact O-N 3.47Å; S241-G245 VanDerWaalsContact O-CA 3.32Å; S241-G245 WeakPolarHBondContact O-CA 3.22Å; S241-G245 PolarHBondContact O-N 3.27Å; S241-K246 WeakPolarHBondContact CA-O 3.48Å; S241-K246 VanDerWaalsContact CB-O 3.24Å; S241-K246 WeakPolarHBondContact CB-O 3.5Å; S241-K246 PolarHBondContact O-N 3.43Å; S241-K246 VanDerWaalsContact O-N 3.15Å; S241-K246 PolarHBondContact OG-O 3.21Å; S241-K246 VanDerWaalsContact OG-O 3.07Å
242	D	97.6	Very high	97.7	Very high	123 Å²	123	35.8 Å²	35.8	66%	0.658	19%	0.192	S	C	*	.	H	α-helix	trans	-70.4	-44.2	-179.2	-65.4	-14.3	0	0	0	111.4	S238 Y239 W240 L244	S238-D242 PolarHBondContact O-N 2.76Å; Y239-D242 PolarHBondContact O-N 2.91Å; W240-D242 VanDerWaalsContact C-N 3.3Å; W240-D242 PolarHBondContact O-N 2.81Å; D242-L244 PolarHBondContact O-N 3.5Å
243	V	98	Very high	97.8	Very high	64 Å²	64	35.8 Å²	35.8	39%	0.388	19%	0.192	S	C	.	.	H	α-helix	trans	-65.5	-38.2	179.3	171.1	0	0	0	0	112.5	Y239 W240	Y239-V243 HydrophobicContact CD1-CG2 4.26Å; Y239-V243 HydrophobicContact CD2-CG2 4.26Å; Y239-V243 HydrophobicContact CE1-CG2 3.85Å; Y239-V243 HydrophobicContact CE2-CG2 3.87Å; Y239-V243 HydrophobicContact CG-CG2 4.45Å; Y239-V243 WeakPolarHBondContact O-CG2 3.19Å; Y239-V243 PolarHBondContact O-N 3.14Å; W240-V243 HydrophobicContact CE3-CB 4.13Å; W240-V243 HydrophobicContact CE3-CG1 3.96Å; W240-V243 HydrophobicContact CZ3-CB 4.47Å; W240-V243 HydrophobicContact CZ3-CG1 3.85Å; W240-V243 PolarHBondContact O-N 3.15Å
244	L	97.3	Very high	97.8	Very high	39 Å²	39	36 Å²	36	20%	0.204	19%	0.193	C	C	.	.	H	α-helix	trans	-93	-13.4	-176.6	-58.9	175.5	0	0	0	113.3	D211 W240 D242 K246 M249	D211-L244 HydrophobicContact CB-CD1 3.87Å; W240-L244 HydrophobicContact CB-CD1 4.33Å; W240-L244 HydrophobicContact CE3-CD1 4.26Å; W240-L244 HydrophobicContact CE3-CD2 4.31Å; W240-L244 HydrophobicContact CE3-CG 4.08Å; W240-L244 WeakPolarHBondContact O-CB 3.38Å; W240-L244 WeakPolarHBondContact O-CG 3.42Å; W240-L244 PolarHBondContact O-N 3.29Å; D242-L244 PolarHBondContact O-N 3.5Å; L244-K246 VanDerWaalsContact C-N 3.27Å; L244-K246 HydrophobicContact CB-CB 4.32Å; L244-K246 HydrophobicContact CB-CD 4.38Å; L244-K246 HydrophobicContact CB-CG 4.18Å; L244-K246 PolarHBondContact O-N 2.99Å; L244-M249 HydrophobicContact CD1-SD 4.12Å
245	G	97.6	Very high	97.9	Very high	71 Å²	71	36.5 Å²	36.5	73%	0.732	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	30.2	-171.9	0	0	0	0	0	113.2	S241	S241-G245 VanDerWaalsContact O-CA 3.32Å; S241-G245 WeakPolarHBondContact O-CA 3.22Å; S241-G245 PolarHBondContact O-N 3.27Å
246	K	97.1	Very high	97.8	Very high	84 Å²	84	41.9 Å²	41.9	37%	0.365	24%	0.235	S	C	.	.			trans	-123.8	137.1	-175.1	-67.4	-174.7	-176.4	-177.5	0	111.5	D211 S241 L244 M249	D211-K246 IonicContact OD1-NZ 3.89Å; D211-K246 PolarHBondContact OD1-NZ 3.4Å; S241-K246 WeakPolarHBondContact CA-O 3.48Å; S241-K246 VanDerWaalsContact CB-O 3.24Å; S241-K246 WeakPolarHBondContact CB-O 3.5Å; S241-K246 PolarHBondContact O-N 3.43Å; S241-K246 VanDerWaalsContact O-N 3.15Å; S241-K246 PolarHBondContact OG-O 3.21Å; S241-K246 VanDerWaalsContact OG-O 3.07Å; L244-K246 VanDerWaalsContact C-N 3.27Å; L244-K246 HydrophobicContact CB-CB 4.32Å; L244-K246 HydrophobicContact CB-CD 4.38Å; L244-K246 HydrophobicContact CB-CG 4.18Å; L244-K246 PolarHBondContact O-N 2.99Å; K246-M249 HydrophobicContact CB-CG 4.11Å
247	K	97.9	Very high	97.7	Very high	97 Å²	97	44.5 Å²	44.5	42%	0.422	25%	0.245	S	C	.	.	S	Bend	trans	-88.5	-34.4	172.2	-63.9	-60.3	-169.9	173.3	0	113.2	E264 V265 D267	K247-E264 CarbonylContact O-C 3.57Å; K247-E264 VanDerWaalsContact O-CA 3.3Å; K247-E264 WeakPolarHBondContact O-CA 3.42Å; K247-V265 HydrophobicContact CD-CB 4.08Å; K247-V265 HydrophobicContact CD-CG1 4.15Å; K247-V265 PolarHBondContact O-N 2.99Å; K247-D267 WeakPolarHBondContact CE-OD1 3.48Å; K247-D267 IonicContact NZ-OD1 3.88Å; K247-D267 PolarHBondContact NZ-OD1 3.36Å
248	K	97.9	Very high	97.6	Very high	147 Å²	147	44.6 Å²	44.6	64%	0.639	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.3	176.9	-65.9	-176.9	178.1	-176.6	0	109.2	L263 E264	K248-L263 VanDerWaalsContact CA-O 3.3Å; K248-L263 WeakPolarHBondContact CA-O 3.48Å; K248-E264 WeakPolarHBondContact CE-OE1 3.21Å; K248-E264 HydrophobicContact CG-CB 4.3Å; K248-E264 HydrophobicContact CG-CG 4.18Å; K248-E264 IonicContact NZ-OE1 3.44Å
249	M	98	Very high	97.6	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.9	-177.1	-65.1	172.6	-73.8	0	0	110.4	D211 F212 G237 W240 L244 K246 L263 V265	D211-M249 HydrophobicContact CB-CB 4.11Å; D211-M249 HydrophobicContact CB-CG 4.33Å; D211-M249 VanDerWaalsContact OD2-CA 3.25Å; D211-M249 WeakPolarHBondContact OD2-CA 3.43Å; F212-M249 HydrophobicContact CD1-SD 4.44Å; F212-M249 HydrophobicContact CE1-CB 4.32Å; F212-M249 HydrophobicContact CE1-SD 4.13Å; G237-M249 WeakPolarHBondContact O-CE 3.07Å; W240-M249 VanDerWaalsContact C-SD 3.59Å; W240-M249 HydrophobicContact CB-SD 3.78Å; L244-M249 HydrophobicContact CD1-SD 4.12Å; K246-M249 HydrophobicContact CB-CG 4.11Å; M249-L263 HydrophobicContact CB-CB 4.42Å; M249-L263 PolarHBondContact N-O 2.78Å; M249-L263 PolarHBondContact O-N 3.21Å; M249-V265 HydrophobicContact CE-CG2 3.99Å
250	L	97.5	Very high	97.5	Very high	50 Å²	50	47.9 Å²	47.9	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.8	169.6	-172.2	66.8	0	0	0	109.4	F210 D211 D262	F210-L250 HydrophobicContact CD1-CD2 3.86Å; F210-L250 HydrophobicContact CD1-CG 3.71Å; F210-L250 HydrophobicContact CE1-CD2 3.81Å; F210-L250 HydrophobicContact CE1-CG 3.91Å; D211-L250 PolarHBondContact N-O 3.25Å; D211-L250 PolarHBondContact OD2-N 3.5Å; L250-D262 VanDerWaalsContact CD1-OD1 3.23Å; L250-D262 WeakPolarHBondContact CD1-OD1 3.25Å
251	A	98	Very high	97.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.4	-177	0	0	0	0	0	111.6	F212 L261 L263	F212-A251 HydrophobicContact CD1-CB 4.32Å; F212-A251 HydrophobicContact CD2-CB 4.09Å; F212-A251 HydrophobicContact CE1-CB 3.79Å; F212-A251 HydrophobicContact CE2-CB 3.5Å; F212-A251 VanDerWaalsContact CE2-CB 3.5Å; F212-A251 HydrophobicContact CG-CB 4.48Å; F212-A251 HydrophobicContact CZ-CB 3.36Å; A251-L261 HydrophobicContact CB-CB 4.49Å; A251-L261 PolarHBondContact N-O 2.98Å; A251-L261 PolarHBondContact O-N 3.21Å; A251-L263 HydrophobicContact CB-CD1 4.17Å
252	Y	97.9	Very high	97.4	Very high	34 Å²	34	51.6 Å²	51.6	13%	0.133	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.2	172.1	-167.3	-81	0	0	0	111.7	F210 F212 Y213 S214 G258 G259 E260	F210-Y252 HydrophobicContact CD1-CD2 4.47Å; F210-Y252 HydrophobicContact CD2-CG 4.5Å; F210-Y252 AromaticContact CE1-CD2 3.78Å; F210-Y252 HydrophobicContact CE1-CD2 3.78Å; F210-Y252 HydrophobicContact CE1-CG 4.28Å; F210-Y252 AromaticContact CE2-CD2 3.81Å; F210-Y252 HydrophobicContact CE2-CD2 3.81Å; F210-Y252 HydrophobicContact CE2-CG 4.14Å; F210-Y252 AromaticContact CZ-CD2 3.38Å; F210-Y252 HydrophobicContact CZ-CD2 3.38Å; F210-Y252 HydrophobicContact CZ-CE2 4.2Å; F210-Y252 HydrophobicContact CZ-CG 4.06Å; F212-Y252 PolarHBondContact O-N 3.33Å; Y213-Y252 VanDerWaalsContact CA-O 3.32Å; Y213-Y252 WeakPolarHBondContact CA-O 3.45Å; S214-Y252 PolarHBondContact N-O 3.02Å; Y252-G258 WeakPolarHBondContact OH-CA 3.18Å; Y252-G259 WeakPolarHBondContact CA-O 3.47Å; Y252-E260 HydrophobicContact CD2-CG 3.53Å; Y252-E260 HydrophobicContact CE2-CG 3.8Å
253	Q	98.4	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.9	172.5	-169.8	159.3	-36.6	0	0	109.5	S214 D226 P227 V228 T229 H233 S255 G258 G259	S214-Q253 CarbonylContact O-C 3.56Å; S214-Q253 WeakPolarHBondContact O-CA 3.27Å; D226-Q253 PolarHBondContact O-NE2 3.13Å; P227-Q253 WeakPolarHBondContact O-CG 3.46Å; P227-Q253 PolarHBondContact O-NE2 2.74Å; V228-Q253 HydrophobicContact CG1-CB 4.27Å; T229-Q253 PolarHBondContact OG1-NE2 2.87Å; H233-Q253 PolarHBondContact CE1-OE1 3.11Å; Q253-S255 PolarHBondContact O-N 2.88Å; Q253-G258 VanDerWaalsContact O-CA 3.26Å; Q253-G258 WeakPolarHBondContact O-CA 3.32Å; Q253-G259 PolarHBondContact N-O 3.44Å; Q253-G259 PolarHBondContact O-N 3.38Å
254	C	97.1	Very high	97.4	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.027	24%	0.244	C	C	.	.			trans	-81.4	40.4	-173.2	-67	0	0	0	0	113.9	R171 L174 T175 S214 R215	R171-C254 PolarHBondContact NE-SG 3.07Å; R171-C254 VanDerWaalsContact NE-SG 3.39Å; L174-C254 HydrophobicContact CB-CB 4.37Å; T175-C254 HydrophobicContact CG2-CB 3.97Å; S214-C254 PolarHBondContact O-N 3Å; R215-C254 WeakPolarHBondContact CD-O 3.44Å; R215-C254 HydrophobicContact CG-CB 4.12Å
255	S	97.1	Very high	97.4	Very high	14 Å²	14	44.2 Å²	44.2	10%	0.098	24%	0.237	C	C	.	.	S	Bend	trans	-69	174.5	167.9	67.5	0	0	0	0	110.9	P227 Q253 R257 G258	P227-S255 WeakPolarHBondContact CA-OG 3.23Å; P227-S255 VanDerWaalsContact O-CB 3.28Å; P227-S255 WeakPolarHBondContact O-CB 3.34Å; P227-S255 PolarHBondContact O-OG 3.46Å; Q253-S255 PolarHBondContact O-N 2.88Å; S255-R257 PolarHBondContact O-N 3.12Å; S255-G258 PolarHBondContact O-N 2.94Å; S255-G258 PolarHBondContact OG-N 2.81Å
256	S	95.8	Very high	97.4	Very high	112 Å²	112	45.4 Å²	45.4	78%	0.783	22%	0.22	S	C	*	.	S	Bend	trans	-58.7	-32.7	174.9	58.4	0	0	0	0	113.1
257	R	97.1	Very high	97.2	Very high	56 Å²	56	48.4 Å²	48.4	21%	0.211	24%	0.24	C	C	.	.	S	Bend	trans	-79.8	-47.6	174.3	-63.5	-174.9	61.5	99.6	-5.5	110.6	D9 F16 K17 G18 P227 S255	D9-R257 IonicContact OD1-CZ 3.02Å; D9-R257 IonicContact OD1-NH2 2.94Å; D9-R257 PolarHBondContact OD1-NH2 2.9Å; D9-R257 IonicContact OD2-NH2 3.56Å; D9-R257 PolarHBondContact OD2-NH2 3.04Å; F16-R257 VanDerWaalsContact C-CZ 3.46Å; F16-R257 VanDerWaalsContact CA-NH2 3.28Å; K17-R257 WeakPolarHBondContact CD-O 3.25Å; K17-R257 PolarHBondContact NZ-O 2.84Å; K17-R257 PolarHBondContact O-NE 3.4Å; K17-R257 PolarHBondContact O-NH2 2.98Å; G18-R257 WeakPolarHBondContact O-CB 3.17Å; G18-R257 WeakPolarHBondContact O-CD 3.48Å; G18-R257 PolarHBondContact O-NE 3.14Å; P227-R257 HydrophobicContact CB-CB 4.22Å; P227-R257 HydrophobicContact CB-CG 4.43Å; S255-R257 PolarHBondContact O-N 3.12Å
258	G	97.1	Very high	97	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.01	24%	0.243	C	C	.	.			trans	77.7	147.2	-177	0	0	0	0	0	112.6	G18 Y252 Q253 S255	G18-G258 WeakPolarHBondContact CA-O 3.41Å; G18-G258 PolarHBondContact N-O 3.36Å; Y252-G258 WeakPolarHBondContact OH-CA 3.18Å; Q253-G258 VanDerWaalsContact O-CA 3.26Å; Q253-G258 WeakPolarHBondContact O-CA 3.32Å; S255-G258 PolarHBondContact O-N 2.94Å; S255-G258 PolarHBondContact OG-N 2.81Å
259	G	97	Very high	96.7	Very high	3 Å²	3	43.1 Å²	43.1	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	156.6	174.6	0	0	0	0	0	113.8	F11 Y252 Q253	F11-G259 WeakPolarHBondContact O-CA 3.28Å; Y252-G259 WeakPolarHBondContact CA-O 3.47Å; Q253-G259 PolarHBondContact N-O 3.44Å; Q253-G259 PolarHBondContact O-N 3.38Å
260	E	96	Very high	96.5	Very high	93 Å²	93	46.4 Å²	46.4	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.9	-170.8	-71	177.7	-164.3	0	0	110	F11 F210 Y252	F11-E260 PolarHBondContact O-N 3.03Å; F210-E260 HydrophobicContact CE1-CG 3.8Å; F210-E260 HydrophobicContact CZ-CG 3.97Å; Y252-E260 HydrophobicContact CD2-CG 3.53Å; Y252-E260 HydrophobicContact CE2-CG 3.8Å
261	L	97.1	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.7	178.4	-49.5	90.4	0	0	0	110.6	F11 V228 H233 A251 L263 I273	F11-L261 HydrophobicContact CD1-CD2 3.85Å; F11-L261 HydrophobicContact CD1-CG 3.79Å; F11-L261 HydrophobicContact CE1-CD2 3.68Å; F11-L261 HydrophobicContact CE1-CG 4.1Å; F11-L261 HydrophobicContact CE2-CD2 4.4Å; F11-L261 HydrophobicContact CG-CD2 4.32Å; F11-L261 HydrophobicContact CG-CG 4.24Å; F11-L261 HydrophobicContact CZ-CD2 3.95Å; V228-L261 HydrophobicContact CG1-CD1 3.67Å; V228-L261 HydrophobicContact CG1-CD2 4.09Å; V228-L261 HydrophobicContact CG1-CG 4.04Å; H233-L261 HydrophobicContact CB-CD2 4.43Å; H233-L261 WeakPolarHBondContact ND1-CD2 3.38Å; A251-L261 HydrophobicContact CB-CB 4.49Å; A251-L261 PolarHBondContact N-O 2.98Å; A251-L261 PolarHBondContact O-N 3.21Å; L261-L263 HydrophobicContact CB-CD2 4.19Å; L261-I273 HydrophobicContact CD2-CG2 3.93Å
262	D	97.3	Very high	96.4	Very high	83 Å²	83	44.8 Å²	44.8	44%	0.444	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	119.9	169	-75.9	-49.6	0	0	0	109.5	L250 A274	L250-D262 VanDerWaalsContact CD1-OD1 3.23Å; L250-D262 WeakPolarHBondContact CD1-OD1 3.25Å; D262-A274 HydrophobicContact CB-CB 3.97Å; D262-A274 PolarHBondContact N-O 3.41Å; D262-A274 PolarHBondContact O-N 2.83Å
263	L	97.9	Very high	96.4	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.6	-178.7	-54.7	-177.1	0	0	0	111.1	F212 H233 K248 M249 A251 L261 I271 N272 I273	F212-L263 HydrophobicContact CE1-CD1 3.84Å; F212-L263 HydrophobicContact CZ-CD1 3.5Å; H233-L263 HydrophobicContact CB-CD1 4.33Å; H233-L263 HydrophobicContact CB-CD2 3.97Å; K248-L263 VanDerWaalsContact CA-O 3.3Å; K248-L263 WeakPolarHBondContact CA-O 3.48Å; M249-L263 HydrophobicContact CB-CB 4.42Å; M249-L263 PolarHBondContact N-O 2.78Å; M249-L263 PolarHBondContact O-N 3.21Å; A251-L263 HydrophobicContact CB-CD1 4.17Å; L261-L263 HydrophobicContact CB-CD2 4.19Å; L263-I271 HydrophobicContact CB-CD1 4.3Å; L263-I271 HydrophobicContact CD1-CD1 4.45Å; L263-I271 HydrophobicContact CD2-CD1 4.25Å; L263-N272 WeakPolarHBondContact CA-O 3.45Å; L263-I273 HydrophobicContact CD2-CB 4.22Å; L263-I273 HydrophobicContact CD2-CG1 3.93Å; L263-I273 HydrophobicContact CD2-CG2 3.88Å
264	E	98.1	Very high	96.3	Very high	57 Å²	57	43.3 Å²	43.3	27%	0.266	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	107.1	168.5	173.5	-177.9	-135.2	0	0	109.9	K247 K248 I271 N272	K247-E264 CarbonylContact O-C 3.57Å; K247-E264 VanDerWaalsContact O-CA 3.3Å; K247-E264 WeakPolarHBondContact O-CA 3.42Å; K248-E264 WeakPolarHBondContact CE-OE1 3.21Å; K248-E264 HydrophobicContact CG-CB 4.3Å; K248-E264 HydrophobicContact CG-CG 4.18Å; K248-E264 IonicContact NZ-OE1 3.44Å; E264-I271 WeakPolarHBondContact O-CA 3.46Å; E264-N272 HydrophobicContact CB-CB 4.09Å; E264-N272 PolarHBondContact N-O 3.11Å; E264-N272 PolarHBondContact O-N 3.45Å; E264-N272 PolarHBondContact OE2-ND2 3.34Å
265	V	98.1	Very high	96.3	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.1	174.5	177.9	0	0	0	0	109.2	L125 G237 K247 M249 I271	L125-V265 HydrophobicContact CD1-CG1 3.86Å; L125-V265 HydrophobicContact CD2-CG1 4.43Å; L125-V265 HydrophobicContact CD2-CG2 4.41Å; G237-V265 WeakPolarHBondContact O-CG2 3.42Å; K247-V265 HydrophobicContact CD-CB 4.08Å; K247-V265 HydrophobicContact CD-CG1 4.15Å; K247-V265 PolarHBondContact O-N 2.99Å; M249-V265 HydrophobicContact CE-CG2 3.99Å; V265-I271 HydrophobicContact CG2-CD1 4.06Å; V265-I271 HydrophobicContact CG2-CG1 4.28Å
266	R	96.6	Very high	96.3	Very high	95 Å²	95	45.1 Å²	45.1	36%	0.358	24%	0.241	S	C	.	.			trans	-105.5	152.5	-178.8	-58	174.5	66.5	-177.6	0.7	110.3	D122 N268 G269 R270	D122-R266 IonicContact OD2-NH1 3.67Å; D122-R266 PolarHBondContact OD2-NH1 3.23Å; R266-N268 WeakPolarHBondContact CB-OD1 3.35Å; R266-N268 PolarHBondContact O-N 2.92Å; R266-G269 PolarHBondContact O-N 2.81Å; R266-R270 WeakPolarHBondContact CB-O 3.38Å; R266-R270 PolarHBondContact N-O 2.97Å
267	D	93	Very high	96.3	Very high	147 Å²	147	40.4 Å²	40.4	79%	0.786	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.5	-176.7	-58.7	-39.9	0	0	0	113.9	K247 G269	K247-D267 WeakPolarHBondContact CE-OD1 3.48Å; K247-D267 IonicContact NZ-OD1 3.88Å; K247-D267 PolarHBondContact NZ-OD1 3.36Å; D267-G269 VanDerWaalsContact C-N 3.3Å; D267-G269 PolarHBondContact O-N 2.91Å
268	N	93	Very high	96.3	Very high	94 Å²	94	39.1 Å²	39.1	50%	0.503	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	21.7	179	68.6	-14.9	0	0	0	113.7	R266 R270	R266-N268 WeakPolarHBondContact CB-OD1 3.35Å; R266-N268 PolarHBondContact O-N 2.92Å; N268-R270 VanDerWaalsContact C-N 3.34Å; N268-R270 PolarHBondContact O-N 2.8Å; N268-R270 WeakPolarHBondContact OD1-CB 3.12Å
269	G	92.9	Very high	96.3	Very high	39 Å²	39	40.7 Å²	40.7	40%	0.402	22%	0.215	S	C	.	.	S	Bend	trans	75.5	20.5	179	0	0	0	0	0	114.2	L125 R266 D267	L125-G269 WeakPolarHBondContact CB-O 3.26Å; L125-G269 PolarHBondContact N-O 3.43Å; R266-G269 PolarHBondContact O-N 2.81Å; D267-G269 VanDerWaalsContact C-N 3.3Å; D267-G269 PolarHBondContact O-N 2.91Å
270	R	94.4	Very high	96.4	Very high	78 Å²	78	43.3 Å²	43.3	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	162	-178.9	-58.6	-172.3	65.6	94.9	8.9	111.7	D122 F123 R266 N268	D122-R270 PolarHBondContact O-NH2 2.72Å; D122-R270 IonicContact OD1-CZ 3.69Å; D122-R270 IonicContact OD1-NE 3.36Å; D122-R270 PolarHBondContact OD1-NE 2.91Å; D122-R270 IonicContact OD1-NH2 2.97Å; D122-R270 PolarHBondContact OD1-NH2 2.83Å; D122-R270 IonicContact OD2-CZ 3.64Å; D122-R270 IonicContact OD2-NE 3.93Å; D122-R270 PolarHBondContact OD2-NE 3.18Å; D122-R270 IonicContact OD2-NH2 3.81Å; F123-R270 CarbonylContact O-C 3.53Å; F123-R270 WeakPolarHBondContact O-CA 3.36Å; F123-R270 WeakPolarHBondContact O-CB 3.35Å; R266-R270 WeakPolarHBondContact CB-O 3.38Å; R266-R270 PolarHBondContact N-O 2.97Å; N268-R270 VanDerWaalsContact C-N 3.34Å; N268-R270 PolarHBondContact O-N 2.8Å; N268-R270 WeakPolarHBondContact OD1-CB 3.12Å
271	I	96.1	Very high	96.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.7	177	-173.6	171.6	0	0	0	110.3	F123 L125 H233 T234 L263 E264 V265 I273	F123-I271 HydrophobicContact CB-CG2 4.08Å; F123-I271 PolarHBondContact N-O 2.96Å; F123-I271 PolarHBondContact O-N 2.75Å; L125-I271 HydrophobicContact CD2-CB 3.67Å; L125-I271 HydrophobicContact CD2-CD1 4.22Å; L125-I271 HydrophobicContact CD2-CG1 4.46Å; L125-I271 HydrophobicContact CD2-CG2 3.94Å; L125-I271 HydrophobicContact CG-CB 4.2Å; L125-I271 HydrophobicContact CG-CG2 4.42Å; H233-I271 WeakPolarHBondContact O-CD1 3.33Å; T234-I271 HydrophobicContact CG2-CG2 4.22Å; L263-I271 HydrophobicContact CB-CD1 4.3Å; L263-I271 HydrophobicContact CD1-CD1 4.45Å; L263-I271 HydrophobicContact CD2-CD1 4.25Å; E264-I271 WeakPolarHBondContact O-CA 3.46Å; V265-I271 HydrophobicContact CG2-CD1 4.06Å; V265-I271 HydrophobicContact CG2-CG1 4.28Å; I271-I273 HydrophobicContact CD1-CG1 4.43Å; I271-I273 HydrophobicContact CG1-CG1 4.19Å; I271-I273 HydrophobicContact CG2-CD1 4.33Å; I271-I273 HydrophobicContact CG2-CG1 4.26Å
272	N	96.8	Very high	96.5	Very high	16 Å²	16	48 Å²	48	9%	0.086	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.1	166.9	-69.9	-21.5	0	0	0	108.5	I120 M121 L263 E264	I120-N272 HydrophobicContact CD1-CB 3.7Å; I120-N272 VanDerWaalsContact CD1-CG 3.48Å; I120-N272 HydrophobicContact CG1-CB 3.95Å; M121-N272 CarbonylContact O-C 3.42Å; M121-N272 WeakPolarHBondContact O-CA 3.32Å; L263-N272 WeakPolarHBondContact CA-O 3.45Å; E264-N272 HydrophobicContact CB-CB 4.09Å; E264-N272 PolarHBondContact N-O 3.11Å; E264-N272 PolarHBondContact O-N 3.45Å; E264-N272 PolarHBondContact OE2-ND2 3.34Å
273	I	97.3	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.2	175.3	-52.4	-179.4	0	0	0	107.1	F11 M121 F123 G230 H233 T234 L261 L263 I271	F11-I273 HydrophobicContact CE1-CG2 3.94Å; F11-I273 HydrophobicContact CZ-CG2 4.24Å; M121-I273 HydrophobicContact CE-CG2 4.41Å; M121-I273 PolarHBondContact N-O 3.01Å; M121-I273 PolarHBondContact O-N 2.73Å; F123-I273 HydrophobicContact CD2-CD1 3.95Å; F123-I273 HydrophobicContact CD2-CG1 4.37Å; F123-I273 HydrophobicContact CG-CD1 4.47Å; G230-I273 WeakPolarHBondContact O-CD1 3.33Å; H233-I273 HydrophobicContact CB-CD1 4.04Å; T234-I273 HydrophobicContact CG2-CD1 4.1Å; L261-I273 HydrophobicContact CD2-CG2 3.93Å; L263-I273 HydrophobicContact CD2-CB 4.22Å; L263-I273 HydrophobicContact CD2-CG1 3.93Å; L263-I273 HydrophobicContact CD2-CG2 3.88Å; I271-I273 HydrophobicContact CD1-CG1 4.43Å; I271-I273 HydrophobicContact CG1-CG1 4.19Å; I271-I273 HydrophobicContact CG2-CD1 4.33Å; I271-I273 HydrophobicContact CG2-CG1 4.26Å
274	A	97.1	Very high	96.5	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.9	-179.6	0	0	0	0	0	112	R115 Y119 I120 D262	R115-A274 VanDerWaalsContact NH1-CB 3.34Å; Y119-A274 WeakPolarHBondContact O-CA 3.27Å; Y119-A274 VanDerWaalsContact O-CB 3.24Å; Y119-A274 WeakPolarHBondContact O-CB 3.29Å; I120-A274 HydrophobicContact CB-CB 4.11Å; I120-A274 HydrophobicContact CG1-CB 4.24Å; D262-A274 HydrophobicContact CB-CB 3.97Å; D262-A274 PolarHBondContact N-O 3.41Å; D262-A274 PolarHBondContact O-N 2.83Å
275	G	96.6	Very high	96.4	Very high	8 Å²	8	49.7 Å²	49.7	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	164.2	175.3	0	0	0	0	0	111.6	G118 Y119	G118-G275 WeakPolarHBondContact CA-O 3.25Å; Y119-G275 PolarHBondContact N-O 3.43Å; Y119-G275 PolarHBondContact O-N 3.28Å; Y119-G275 VanDerWaalsContact O-N 3.12Å
276	D	96.6	Very high	96.3	Very high	48 Å²	48	58.8 Å²	58.8	26%	0.257	30%	0.297	S	S	.	.			trans	-78	160.7	174.3	-74.1	-27.2	0	0	0	111.8	A10 F11 T12 N13 G118	A10-D276 CarbonylContact C-O 3.56Å; F11-D276 WeakPolarHBondContact CA-O 3.32Å; F11-D276 PolarHBondContact N-O 2.84Å; T12-D276 PolarHBondContact N-O 2.9Å; T12-D276 VanDerWaalsContact N-O 3.13Å; T12-D276 CarbonylContact O-C 3.5Å; T12-D276 VanDerWaalsContact O-C 3.22Å; T12-D276 WeakPolarHBondContact O-CB 3.26Å; N13-D276 HydrophobicContact CB-CB 4.07Å; G118-D276 WeakPolarHBondContact CA-OD1 3.24Å; G118-D276 PolarHBondContact N-OD1 2.86Å
277	V	97.1	Very high	95.9	Very high	12 Å²	12	59.8 Å²	59.8	7%	0.073	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.3	173.3	-178.2	0	0	0	0	108.7	L8 D9 A10 T12 L84 A88 Y119	L8-V277 HydrophobicContact CB-CG1 3.69Å; L8-V277 HydrophobicContact CD2-CG1 3.64Å; L8-V277 HydrophobicContact CG-CG1 4.31Å; D9-V277 WeakPolarHBondContact O-CA 3.23Å; A10-V277 HydrophobicContact CB-CG2 4.19Å; T12-V277 PolarHBondContact O-N 3.05Å; L84-V277 HydrophobicContact CB-CG2 4.31Å; L84-V277 HydrophobicContact CD2-CG2 3.58Å; L84-V277 HydrophobicContact CG-CG2 3.63Å; A88-V277 HydrophobicContact CB-CB 3.97Å; A88-V277 HydrophobicContact CB-CG1 3.76Å; A88-V277 HydrophobicContact CB-CG2 4.23Å; Y119-V277 HydrophobicContact CD2-CB 4.28Å; Y119-V277 HydrophobicContact CD2-CG2 3.79Å; Y119-V277 HydrophobicContact CE2-CB 4.04Å; Y119-V277 HydrophobicContact CE2-CG2 4.05Å
278	T	96.6	Very high	96.1	Very high	30 Å²	30	55.4 Å²	55.4	18%	0.184	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.9	176.4	-76.4	0	0	0	0	110.6	L8 D9 N13 P15	L8-T278 CarbonylContact C-O 3.22Å; L8-T278 WeakPolarHBondContact CA-O 3.29Å; D9-T278 PolarHBondContact N-O 2.82Å; D9-T278 PolarHBondContact O-N 2.95Å; N13-T278 VanDerWaalsContact CA-OG1 3.3Å; N13-T278 WeakPolarHBondContact CA-OG1 3.4Å; N13-T278 PolarHBondContact O-OG1 3.28Å; P15-T278 HydrophobicContact CG-CG2 3.86Å
279	T	97.3	Very high	96.2	Very high	33 Å²	33	53.4 Å²	53.4	20%	0.202	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133.1	174	-53.8	0	0	0	0	110.8	L8 Y93	L8-T279 WeakPolarHBondContact CD2-OG1 3.49Å; L8-T279 HydrophobicContact CG-CG2 4.48Å; Y93-T279 HydrophobicContact CE2-CG2 4.39Å; Y93-T279 WeakPolarHBondContact CE2-OG1 3.27Å; Y93-T279 WeakPolarHBondContact OH-CB 3.3Å; Y93-T279 VanDerWaalsContact OH-CG2 3.26Å; Y93-T279 WeakPolarHBondContact OH-CG2 3.47Å; Y93-T279 PolarHBondContact OH-OG1 2.76Å
280	V	97.9	Very high	96.4	Very high	59 Å²	59	54.2 Å²	54.2	36%	0.358	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-41.3	176.8	-179.6	0	0	0	0	111.1	M7 D9 P15 F16	M7-V280 PolarHBondContact O-N 3.2Å; D9-V280 HydrophobicContact CB-CG2 4.39Å; D9-V280 WeakPolarHBondContact OD2-CG2 3.46Å; P15-V280 HydrophobicContact CB-CG2 4.44Å; F16-V280 HydrophobicContact CD1-CG1 4.43Å; F16-V280 HydrophobicContact CE1-CG1 3.75Å
281	L	97.6	Very high	96.6	Very high	78 Å²	78	52.8 Å²	52.8	41%	0.408	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	145.2	-176.1	178.5	153.3	0	0	0	111.3	F6 M7	F6-L281 CarbonylContact C-O 3.56Å; F6-L281 WeakPolarHBondContact CA-O 3.34Å; M7-L281 HydrophobicContact CB-CB 4.25Å; M7-L281 HydrophobicContact CE-CB 4.14Å; M7-L281 HydrophobicContact CE-CD1 3.77Å; M7-L281 HydrophobicContact CE-CD2 3.58Å; M7-L281 HydrophobicContact CE-CG 4.02Å; M7-L281 PolarHBondContact N-O 2.93Å; M7-L281 PolarHBondContact O-N 3.07Å
282	Q	97.9	Very high	96.6	Very high	113 Å²	113	56.1 Å²	56.1	53%	0.528	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.5	171.1	175.7	-178.8	-11.6	0	0	109.2	F6	F6-Q282 HydrophobicContact CD1-CB 4.06Å; F6-Q282 HydrophobicContact CD1-CG 3.75Å; F6-Q282 HydrophobicContact CE1-CB 4.29Å; F6-Q282 HydrophobicContact CE1-CG 3.53Å; F6-Q282 HydrophobicContact CZ-CG 4.24Å
283	G	97.6	Very high	96.6	Very high	21 Å²	21	58.7 Å²	58.7	22%	0.216	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	-155.1	178.7	0	0	0	0	0	113.2	V5	V5-G283 PolarHBondContact N-O 3.21Å; V5-G283 PolarHBondContact O-N 3.33Å
284	F	97.9	Very high	96.5	Very high	129 Å²	129	62.9 Å²	62.9	57%	0.566	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.5	178.9	-61.5	-90.6	0	0	0	110.6	E2 I3 P4	E2-F284 HydrophobicContact CB-CB 4.4Å; E2-F284 HydrophobicContact CB-CD1 4.28Å; I3-F284 CarbonylContact O-C 3.56Å; I3-F284 VanDerWaalsContact O-CA 3.25Å; I3-F284 WeakPolarHBondContact O-CA 3.26Å; P4-F284 HydrophobicContact CB-CD1 4.36Å; P4-F284 HydrophobicContact CB-CE1 4.23Å; P4-F284 HydrophobicContact CG-CD1 4.28Å; P4-F284 HydrophobicContact CG-CE1 4.04Å
285	I	96.8	Very high	96.5	Very high	31 Å²	31	67.5 Å²	67.5	16%	0.159	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.3	167.2	-56.6	176.4	0	0	0	107.7	E2 I3 V5 I38 M42 L287	E2-I285 WeakPolarHBondContact CA-O 3.48Å; I3-I285 HydrophobicContact CB-CB 4.29Å; I3-I285 PolarHBondContact N-O 3.41Å; I3-I285 PolarHBondContact O-N 3.03Å; V5-I285 HydrophobicContact CB-CD1 4.09Å; V5-I285 HydrophobicContact CB-CG1 3.98Å; V5-I285 HydrophobicContact CG1-CD1 4.37Å; V5-I285 HydrophobicContact CG1-CG1 3.77Å; V5-I285 HydrophobicContact CG2-CD1 4.23Å; I38-I285 HydrophobicContact CG2-CD1 3.6Å; M42-I285 HydrophobicContact SD-CD1 4.17Å; I285-L287 HydrophobicContact CG2-CD2 4.19Å
286	R	95.1	Very high	96.5	Very high	201 Å²	201	72.5 Å²	72.5	76%	0.758	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.4	175.3	-69.8	-176.3	172.2	167.2	3.1	110	E2	E2-R286 HydrophobicContact CG-CG 4.26Å; E2-R286 IonicContact OE1-CZ 3.09Å; E2-R286 IonicContact OE1-NE 2.68Å; E2-R286 PolarHBondContact OE1-NE 3.44Å; E2-R286 IonicContact OE1-NH2 3.39Å; E2-R286 PolarHBondContact OE1-NH2 3.02Å
287	L	89.4	Confident	96.5	Very high	115 Å²	115	74.7 Å²	74.7	60%	0.602	37%	0.369	S	S	*	.			trans	-108.5	0	175.1	-56.6	174.8	0	0	0	110.8	M1 I3 L34 I38 I285	M1-L287 HydrophobicContact CB-CB 4.37Å; M1-L287 HydrophobicContact CE-CD1 3.29Å; M1-L287 PolarHBondContact N-O 3.24Å; M1-L287 PolarHBondContact O-N 3.18Å; I3-L287 HydrophobicContact CD1-CD1 3.5Å; I3-L287 HydrophobicContact CD1-CG 4.32Å; I3-L287 HydrophobicContact CG1-CD1 4.27Å; L34-L287 HydrophobicContact CD1-CD1 4.11Å; L34-L287 HydrophobicContact CD1-CD2 3.86Å; L34-L287 HydrophobicContact CD2-CD1 3.75Å; L34-L287 HydrophobicContact CG-CD1 4.38Å; I38-L287 HydrophobicContact CG1-CD2 4.5Å; I285-L287 HydrophobicContact CG2-CD2 4.19Å

Retrieved 287 of 287 residues in 267.3 ms (Link to these results)

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