A0A3Q0KSP4_SCHMA Loading...

Ig-like domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 336 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	92.6	Very high	86.9	Confident	42 Å²	42	56.9 Å²	56.9	21%	0.207	31%	0.314	C	S	.	.				0	143.2	0	-66.1	158.7	-85	0	0	108.8	W14 I47 L48 I50 Y61 Y97 I99	M1-W14 HydrophobicContact CB-CH2 3.54Å; M1-W14 HydrophobicContact CB-CZ2 4.27Å; M1-W14 HydrophobicContact CB-CZ3 3.88Å; M1-W14 HydrophobicContact SD-CZ3 4.44Å; M1-I47 CarbonylContact O-C 3.59Å; M1-I47 VanDerWaalsContact O-CA 3.26Å; M1-I47 WeakPolarHBondContact O-CA 3.18Å; M1-L48 HydrophobicContact CB-CB 4.44Å; M1-L48 HydrophobicContact CE-CB 4.32Å; M1-L48 HydrophobicContact CE-CD2 3.48Å; M1-L48 VanDerWaalsContact CE-CD2 3.48Å; M1-L48 HydrophobicContact CE-CG 3.97Å; M1-L48 PolarHBondContact N-O 2.98Å; M1-L48 PolarHBondContact O-N 2.85Å; M1-L48 HydrophobicContact SD-CD2 4.38Å; M1-I50 HydrophobicContact CE-CD1 3.91Å; M1-I50 HydrophobicContact CE-CG1 4.24Å; M1-Y61 HydrophobicContact CE-CD1 3.83Å; M1-Y61 HydrophobicContact CE-CD2 4.45Å; M1-Y61 HydrophobicContact CE-CE1 4.07Å; M1-Y61 HydrophobicContact CE-CG 4.02Å; M1-Y61 WeakPolarHBondContact SD-CB 3.32Å; M1-Y61 HydrophobicContact SD-CD1 3.9Å; M1-Y61 HydrophobicContact SD-CD2 3.89Å; M1-Y61 HydrophobicContact SD-CG 3.49Å; M1-Y97 HydrophobicContact CB-CD1 4.43Å; M1-Y97 HydrophobicContact CB-CD2 3.77Å; M1-Y97 HydrophobicContact CB-CE2 3.96Å; M1-Y97 HydrophobicContact CB-CG 4.01Å; M1-Y97 HydrophobicContact CG-CD1 4.13Å; M1-Y97 HydrophobicContact CG-CD2 4.01Å; M1-Y97 HydrophobicContact CG-CG 3.74Å; M1-Y97 HydrophobicContact SD-CG 4.29Å; M1-I99 HydrophobicContact CE-CG1 4.38Å; M1-I99 HydrophobicContact CG-CD1 3.92Å; M1-I99 HydrophobicContact CG-CG1 4.34Å; M1-I99 HydrophobicContact SD-CD1 3.94Å; M1-I99 HydrophobicContact SD-CG1 3.68Å
2	R	92.4	Very high	87.2	Confident	128 Å²	128	52.3 Å²	52.3	48%	0.483	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.6	-173.9	177.8	-170.3	-63.9	-178.6	6.8	109.3	K45 W46 Y97	R2-K45 HydrophobicContact CG-CG 4.31Å; R2-K45 VanDerWaalsContact NE-CE 3.29Å; R2-W46 CarbonylContact C-O 3.5Å; R2-W46 WeakPolarHBondContact CA-O 3.34Å; R2-Y97 PolarHBondContact N-OH 3.25Å; R2-Y97 WeakPolarHBondContact O-CE2 3.36Å; R2-Y97 PolarHBondContact O-OH 2.76Å
3	C	91.9	Very high	87.7	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.9	170.3	-177.2	0	0	0	0	109.3	I12 W14 W46 C63 N94	C3-I12 HydrophobicContact CB-CD1 3.77Å; C3-W14 HydrophobicContact CB-CH2 4.02Å; C3-W14 HydrophobicContact CB-CZ2 3.39Å; C3-W46 PolarHBondContact N-O 2.99Å; C3-W46 PolarHBondContact O-N 2.87Å; C3-C63 HydrophobicContact CB-CB 3.5Å; C3-C63 VanDerWaalsContact CB-CB 3.5Å; C3-C63 WeakPolarHBondContact CB-SG 3.42Å; C3-C63 WeakPolarHBondContact SG-CB 3.49Å; C3-C63 CovalentContact SG-SG 2.01Å; C3-C63 PolarHBondContact SG-SG 3.21Å; C3-N94 PolarHBondContact SG-ND2 3.31Å
4	I	90.7	Very high	88.2	Confident	68 Å²	68	47.4 Å²	47.4	35%	0.349	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	175.5	-42.4	-179.6	0	0	0	106.5	N44 M92 N94	I4-N44 CarbonylContact C-O 3.59Å; I4-N44 WeakPolarHBondContact CA-O 3.37Å; I4-N44 HydrophobicContact CG2-CB 4.47Å; I4-N44 WeakPolarHBondContact CG2-O 3.41Å; I4-M92 HydrophobicContact CB-CE 3.52Å; I4-M92 HydrophobicContact CG2-CE 3.36Å; I4-M92 WeakPolarHBondContact O-CE 3.39Å; I4-N94 PolarHBondContact N-OD1 3.39Å; I4-N94 PolarHBondContact O-ND2 3.43Å; I4-N94 PolarHBondContact O-OD1 2.76Å; I4-N94 VanDerWaalsContact O-OD1 3.14Å
5	I	87.2	Confident	88.4	Confident	8 Å²	8	47.2 Å²	47.2	4%	0.041	26%	0.259	C	S	.	.			trans	-117.5	155.2	-179.2	71.3	168.5	0	0	0	109.8	H10 I12 N44 W46 T65	I5-H10 HydrophobicContact CD1-CB 4.4Å; I5-I12 HydrophobicContact CG2-CB 4.23Å; I5-I12 HydrophobicContact CG2-CD1 4.17Å; I5-I12 HydrophobicContact CG2-CG1 4.39Å; I5-N44 PolarHBondContact N-O 3.41Å; I5-N44 WeakPolarHBondContact O-CB 3.24Å; I5-W46 HydrophobicContact CD1-CZ2 4.46Å; I5-T65 HydrophobicContact CB-CG2 3.69Å; I5-T65 HydrophobicContact CG2-CG2 3.28Å
6	P	84.4	Confident	88.6	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.104	25%	0.252	C	S	.	.			trans	-61.5	152.5	176.7	-18.4	28.9	0	0	0	110.3	I90 M92	P6-I90 HydrophobicContact CG-CB 4.43Å; P6-I90 HydrophobicContact CG-CG2 4.07Å; P6-M92 WeakPolarHBondContact CA-SD 3.36Å; P6-M92 HydrophobicContact CB-SD 3.92Å; P6-M92 WeakPolarHBondContact CD-SD 3.39Å; P6-M92 HydrophobicContact CG-CG 4.12Å; P6-M92 HydrophobicContact CG-SD 3.51Å; P6-M92 VanDerWaalsContact CG-SD 3.51Å
7	E	80.8	Confident	88.4	Confident	158 Å²	158	45.5 Å²	45.5	74%	0.738	25%	0.247	S	C	*	.	S	Bend	trans	-64.9	143.5	169	-64.1	-170.5	171.8	0	0	109.9
8	G	78.9	Confident	88.1	Confident	61 Å²	61	45.4 Å²	45.4	63%	0.629	26%	0.258	S	S	*	.	S	Bend	trans	110.5	-174.1	-176.4	0	0	0	0	0	114	H10	G8-H10 PolarHBondContact O-N 3.24Å; G8-H10 PolarHBondContact O-ND1 2.91Å
9	S	83.1	Confident	88.1	Confident	82 Å²	82	46.5 Å²	46.5	57%	0.573	26%	0.261	S	S	*	.	S	Bend	trans	-75.5	91.4	-174.7	-60.9	0	0	0	0	111.7	I68	S9-I68 WeakPolarHBondContact CB-O 2.95Å; S9-I68 PolarHBondContact O-N 2.79Å
10	H	85.4	Confident	87.9	Confident	34 Å²	34	54 Å²	54	16%	0.157	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.6	176.9	-61	82.4	0	0	0	110.9	I5 G8 K66	I5-H10 HydrophobicContact CD1-CB 4.4Å; G8-H10 PolarHBondContact O-N 3.24Å; G8-H10 PolarHBondContact O-ND1 2.91Å; H10-K66 CarbonylContact C-O 3.48Å; H10-K66 WeakPolarHBondContact CA-O 3.49Å
11	V	88.3	Confident	88	Confident	29 Å²	29	55 Å²	55	18%	0.176	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.3	166	65.5	0	0	0	0	109.6	I25 T65 K66 I68	V11-I25 HydrophobicContact CG2-CG2 3.58Å; V11-T65 WeakPolarHBondContact O-CA 3.38Å; V11-K66 HydrophobicContact CG1-CB 3.77Å; V11-K66 PolarHBondContact N-O 2.81Å; V11-K66 PolarHBondContact O-N 3.21Å; V11-I68 HydrophobicContact CB-CD1 4.02Å; V11-I68 HydrophobicContact CB-CG1 4.23Å; V11-I68 HydrophobicContact CG1-CG1 4.34Å
12	I	91.1	Very high	88	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.8	171.3	-179.5	170.7	0	0	0	110	C3 I5 I25 G26 W46 C63 T64	C3-I12 HydrophobicContact CB-CD1 3.77Å; I5-I12 HydrophobicContact CG2-CB 4.23Å; I5-I12 HydrophobicContact CG2-CD1 4.17Å; I5-I12 HydrophobicContact CG2-CG1 4.39Å; I12-I25 CarbonylContact O-C 3.52Å; I12-G26 PolarHBondContact O-N 3.23Å; I12-W46 HydrophobicContact CD1-CB 3.3Å; I12-W46 HydrophobicContact CD1-CD2 4.19Å; I12-W46 HydrophobicContact CD1-CG 3.64Å; I12-W46 HydrophobicContact CG2-CD2 3.76Å; I12-W46 HydrophobicContact CG2-CE3 3.6Å; I12-W46 HydrophobicContact CG2-CG 4.29Å; I12-W46 HydrophobicContact CG2-CH2 4.18Å; I12-W46 HydrophobicContact CG2-CZ2 4.34Å; I12-W46 HydrophobicContact CG2-CZ3 3.78Å; I12-C63 WeakPolarHBondContact CD1-SG 3.19Å; I12-C63 WeakPolarHBondContact CG1-SG 3.37Å; I12-T64 CarbonylContact C-O 3.5Å
13	I	92.7	Very high	88.1	Confident	36 Å²	36	48.3 Å²	48.3	19%	0.185	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.9	175.2	-54	171.8	0	0	0	108.2	P22 T24 I25 C63 T64	I13-P22 HydrophobicContact CG2-CB 3.67Å; I13-T24 WeakPolarHBondContact CA-O 3.2Å; I13-I25 HydrophobicContact CG1-CG2 4.4Å; I13-I25 HydrophobicContact CG2-CG1 4.48Å; I13-C63 WeakPolarHBondContact O-CA 3.42Å; I13-T64 WeakPolarHBondContact CB-OG1 3.1Å; I13-T64 PolarHBondContact N-O 2.8Å; I13-T64 PolarHBondContact O-N 3.44Å; I13-T64 PolarHBondContact O-OG1 2.91Å
14	W	94.8	Very high	88.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.4	171.1	-79.1	96	0	0	0	109.8	M1 C3 L23 T24 L48 T62 C63 Y97	M1-W14 HydrophobicContact CB-CH2 3.54Å; M1-W14 HydrophobicContact CB-CZ2 4.27Å; M1-W14 HydrophobicContact CB-CZ3 3.88Å; M1-W14 HydrophobicContact SD-CZ3 4.44Å; C3-W14 HydrophobicContact CB-CH2 4.02Å; C3-W14 HydrophobicContact CB-CZ2 3.39Å; W14-L23 HydrophobicContact CB-CB 4.34Å; W14-L23 WeakPolarHBondContact O-CB 2.86Å; W14-L23 PolarHBondContact O-N 2.86Å; W14-T24 WeakPolarHBondContact CB-OG1 3.48Å; W14-T24 PolarHBondContact N-O 3.43Å; W14-T24 PolarHBondContact O-N 3.34Å; W14-L48 HydrophobicContact CB-CD1 4.37Å; W14-L48 HydrophobicContact CB-CD2 4.05Å; W14-L48 HydrophobicContact CD2-CB 3.74Å; W14-L48 HydrophobicContact CD2-CD2 3.76Å; W14-L48 HydrophobicContact CD2-CG 4.26Å; W14-L48 HydrophobicContact CE3-CB 4.25Å; W14-L48 HydrophobicContact CE3-CD2 3.75Å; W14-L48 HydrophobicContact CG-CB 4.07Å; W14-L48 HydrophobicContact CG-CD1 4.2Å; W14-L48 HydrophobicContact CG-CD2 3.92Å; W14-L48 HydrophobicContact CG-CG 4.3Å; W14-L48 HydrophobicContact CH2-CB 4.43Å; W14-L48 HydrophobicContact CZ2-CB 3.91Å; W14-L48 HydrophobicContact CZ3-CD2 4.45Å; W14-T62 WeakPolarHBondContact CA-O 3.36Å; W14-C63 HydrophobicContact CD2-CB 4.12Å; W14-C63 HydrophobicContact CE3-CB 4.02Å; W14-C63 HydrophobicContact CH2-CB 3.86Å; W14-C63 HydrophobicContact CZ2-CB 3.98Å; W14-C63 HydrophobicContact CZ3-CB 3.88Å; W14-Y97 AromaticContact CH2-CD2 3.96Å; W14-Y97 HydrophobicContact CH2-CD2 3.96Å; W14-Y97 AromaticContact CH2-CE2 3.84Å; W14-Y97 HydrophobicContact CH2-CE2 3.84Å; W14-Y97 AromaticContact CZ3-CD2 3.96Å; W14-Y97 HydrophobicContact CZ3-CD2 3.96Å; W14-Y97 HydrophobicContact CZ3-CE2 4.3Å
15	N	92	Very high	88.4	Confident	45 Å²	45	48.1 Å²	48.1	24%	0.241	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.2	175.9	-54	-53.2	0	0	0	110	P22 Y61 T62	N15-P22 WeakPolarHBondContact OD1-CA 3.33Å; N15-P22 WeakPolarHBondContact OD1-CB 3.38Å; N15-Y61 CarbonylContact O-C 3.58Å; N15-Y61 VanDerWaalsContact O-CA 3.26Å; N15-Y61 WeakPolarHBondContact O-CA 3.36Å; N15-T62 PolarHBondContact N-O 2.86Å; N15-T62 PolarHBondContact O-N 2.98Å
16	K	91.5	Very high	88.5	Confident	32 Å²	32	48.3 Å²	48.3	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.8	163.5	173.4	-174.1	169.5	-133.7	0	107.2	G18 E19 L23 T56 L60 Y61	K16-G18 PolarHBondContact O-N 3.21Å; K16-E19 HydrophobicContact CB-CG 3.83Å; K16-E19 HydrophobicContact CD-CG 3.91Å; K16-E19 HydrophobicContact CG-CG 4.04Å; K16-E19 IonicContact NZ-OE1 3.53Å; K16-E19 PolarHBondContact NZ-OE1 2.67Å; K16-E19 PolarHBondContact O-N 2.8Å; K16-E19 VanDerWaalsContact O-N 3.15Å; K16-L23 HydrophobicContact CB-CD1 4.04Å; K16-L23 HydrophobicContact CB-CD2 4.15Å; K16-L23 HydrophobicContact CB-CG 4.29Å; K16-T56 PolarHBondContact NZ-O 3.45Å; K16-L60 CarbonylContact C-O 3.53Å; K16-L60 WeakPolarHBondContact CA-O 3.03Å; K16-Y61 HydrophobicContact CB-CD1 4.01Å; K16-Y61 HydrophobicContact CB-CE1 3.9Å; K16-Y61 HydrophobicContact CD-CE1 4.13Å; K16-Y61 HydrophobicContact CD-CE2 4.45Å; K16-Y61 HydrophobicContact CG-CD1 4.5Å; K16-Y61 HydrophobicContact CG-CE1 4.15Å; K16-Y61 HydrophobicContact CG-CE2 4.39Å
17	I	85.3	Confident	88.7	Confident	34 Å²	34	52 Å²	52	17%	0.174	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	131.8	178	-59.3	-58.2	0	0	0	109.6	L60 T62 I212	I17-L60 HydrophobicContact CB-CB 4.29Å; I17-L60 HydrophobicContact CG1-CB 3.92Å; I17-L60 HydrophobicContact CG1-CD2 4.02Å; I17-L60 HydrophobicContact CG1-CG 4.15Å; I17-L60 PolarHBondContact N-O 2.81Å; I17-T62 HydrophobicContact CD1-CG2 4.43Å; I17-I212 HydrophobicContact CG2-CD1 4.35Å
18	G	82.5	Confident	89.3	Confident	43 Å²	43	51.6 Å²	51.6	44%	0.443	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-10.8	-174.9	0	0	0	0	0	114.4	K16 H168	K16-G18 PolarHBondContact O-N 3.21Å; G18-H168 WeakPolarHBondContact CA-O 3.41Å
19	E	87.3	Confident	90	Very high	67 Å²	67	54 Å²	54	31%	0.313	28%	0.279	S	S	.	.			trans	-90.3	136.9	168.6	-54.2	-64.3	157.3	0	0	109.6	K16 Y21 L23	K16-E19 HydrophobicContact CB-CG 3.83Å; K16-E19 HydrophobicContact CD-CG 3.91Å; K16-E19 HydrophobicContact CG-CG 4.04Å; K16-E19 IonicContact NZ-OE1 3.53Å; K16-E19 PolarHBondContact NZ-OE1 2.67Å; K16-E19 PolarHBondContact O-N 2.8Å; K16-E19 VanDerWaalsContact O-N 3.15Å; E19-Y21 PolarHBondContact O-N 2.91Å; E19-L23 HydrophobicContact CG-CD2 4.49Å
20	E	84.6	Confident	90.5	Very high	196 Å²	196	55.5 Å²	55.5	92%	0.916	28%	0.276	S	S	*	.	S	Bend	trans	-71.5	-17.1	-179.2	-64.1	-179.7	167.6	0	0	113.2
21	Y	89.6	Confident	90.9	Very high	76 Å²	76	54.6 Å²	54.6	30%	0.298	27%	0.272	S	S	.	.	S	Bend	trans	-135.4	155	-173.9	53.4	-98.6	0	0	0	112.1	E19 F30 I31	E19-Y21 PolarHBondContact O-N 2.91Å; Y21-F30 VanDerWaalsContact CB-CE1 3.46Å; Y21-F30 AromaticContact CD2-CD1 3.71Å; Y21-F30 HydrophobicContact CD2-CD1 3.71Å; Y21-F30 AromaticContact CD2-CE1 4Å; Y21-F30 HydrophobicContact CD2-CE1 4Å; Y21-F30 HydrophobicContact CG-CD1 4.05Å; Y21-F30 AromaticContact CG-CE1 3.86Å; Y21-F30 HydrophobicContact CG-CE1 3.86Å; Y21-I31 HydrophobicContact CD2-CB 4.34Å; Y21-I31 HydrophobicContact CE2-CB 3.63Å; Y21-I31 HydrophobicContact CE2-CD1 3.9Å; Y21-I31 HydrophobicContact CE2-CG1 3.58Å
22	P	93.3	Very high	91	Very high	27 Å²	27	58.7 Å²	58.7	18%	0.175	30%	0.299	C	S	.	.			trans	-62	148.6	178.1	24.7	-34	0	0	0	111.4	I13 N15 I25 F30	I13-P22 HydrophobicContact CG2-CB 3.67Å; N15-P22 WeakPolarHBondContact OD1-CA 3.33Å; N15-P22 WeakPolarHBondContact OD1-CB 3.38Å; P22-I25 HydrophobicContact CB-CG1 4.13Å; P22-I25 HydrophobicContact CG-CD1 3.75Å; P22-I25 HydrophobicContact CG-CG1 3.81Å; P22-F30 HydrophobicContact CG-CB 4.42Å; P22-F30 HydrophobicContact CG-CD1 4.17Å; P22-F30 HydrophobicContact CG-CD2 4.48Å; P22-F30 HydrophobicContact CG-CG 4.1Å; P22-F30 WeakPolarHBondContact O-CB 3.34Å; P22-F30 WeakPolarHBondContact O-CD1 3.32Å
23	L	95.2	Very high	91.1	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.309	C	S	.	.	S	Bend	trans	-69.7	-46.2	172.9	-56.2	179.1	0	0	0	110.5	W14 K16 E19 F30 I31 I36 L48 Y61	W14-L23 HydrophobicContact CB-CB 4.34Å; W14-L23 WeakPolarHBondContact O-CB 2.86Å; W14-L23 PolarHBondContact O-N 2.86Å; K16-L23 HydrophobicContact CB-CD1 4.04Å; K16-L23 HydrophobicContact CB-CD2 4.15Å; K16-L23 HydrophobicContact CB-CG 4.29Å; E19-L23 HydrophobicContact CG-CD2 4.49Å; L23-F30 PolarHBondContact O-N 3.41Å; L23-I31 HydrophobicContact CB-CG2 4.37Å; L23-I31 HydrophobicContact CD2-CB 4.49Å; L23-I31 HydrophobicContact CD2-CD1 3.69Å; L23-I31 HydrophobicContact CD2-CG2 4.35Å; L23-I31 WeakPolarHBondContact O-CG2 3.31Å; L23-I31 PolarHBondContact O-N 3.03Å; L23-I36 HydrophobicContact CD2-CD1 4.08Å; L23-L48 HydrophobicContact CD1-CD2 3.8Å; L23-Y61 HydrophobicContact CD1-CD1 3.6Å; L23-Y61 HydrophobicContact CD1-CE1 3.57Å
24	T	95	Very high	91.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145.3	-178.3	68.8	0	0	0	0	111	I13 W14 H28 I36 I38 L48	I13-T24 WeakPolarHBondContact CA-O 3.2Å; W14-T24 WeakPolarHBondContact CB-OG1 3.48Å; W14-T24 PolarHBondContact N-O 3.43Å; W14-T24 PolarHBondContact O-N 3.34Å; T24-H28 CarbonylContact C-O 3.6Å; T24-H28 WeakPolarHBondContact CA-O 3.35Å; T24-H28 VanDerWaalsContact CB-O 3.31Å; T24-H28 WeakPolarHBondContact CB-O 3.34Å; T24-I36 HydrophobicContact CG2-CG2 4.13Å; T24-I38 HydrophobicContact CG2-CB 4.47Å; T24-L48 HydrophobicContact CG2-CD1 3.93Å
25	I	92.6	Very high	91.3	Very high	63 Å²	63	68.4 Å²	68.4	32%	0.323	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.8	170.8	-56.6	174.2	0	0	0	107.6	V11 I12 I13 P22 N27 H28 F30	V11-I25 HydrophobicContact CG2-CG2 3.58Å; I12-I25 CarbonylContact O-C 3.52Å; I13-I25 HydrophobicContact CG1-CG2 4.4Å; I13-I25 HydrophobicContact CG2-CG1 4.48Å; P22-I25 HydrophobicContact CB-CG1 4.13Å; P22-I25 HydrophobicContact CG-CD1 3.75Å; P22-I25 HydrophobicContact CG-CG1 3.81Å; I25-N27 PolarHBondContact O-N 3.02Å; I25-H28 PolarHBondContact N-O 3.34Å; I25-H28 WeakPolarHBondContact O-CB 3.17Å; I25-H28 PolarHBondContact O-N 3.36Å; I25-F30 HydrophobicContact CD1-CD2 3.92Å; I25-F30 HydrophobicContact CD1-CE2 4.47Å
26	G	89.7	Confident	91.5	Very high	12 Å²	12	66.6 Å²	66.6	12%	0.124	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-126.7	-172.2	0	0	0	0	0	111.5	I12 H28	I12-G26 PolarHBondContact O-N 3.23Å; G26-H28 VanDerWaalsContact C-N 3.33Å
27	N	89.5	Confident	91.6	Very high	95 Å²	95	67.2 Å²	67.2	51%	0.508	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.6	174.4	-79.5	-37.6	0	0	0	113.6	I25 I38 W46	I25-N27 PolarHBondContact O-N 3.02Å; N27-I38 WeakPolarHBondContact O-CG2 3.32Å; N27-W46 VanDerWaalsContact OD1-CH2 3.26Å; N27-W46 WeakPolarHBondContact OD1-CH2 3.34Å; N27-W46 WeakPolarHBondContact OD1-CZ3 2.96Å
28	H	92.1	Very high	92	Very high	148 Å²	148	67 Å²	67	69%	0.685	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.5	-175.9	-69.5	-81.9	0	0	0	111.7	T24 I25 G26	T24-H28 CarbonylContact C-O 3.6Å; T24-H28 WeakPolarHBondContact CA-O 3.35Å; T24-H28 VanDerWaalsContact CB-O 3.31Å; T24-H28 WeakPolarHBondContact CB-O 3.34Å; I25-H28 PolarHBondContact N-O 3.34Å; I25-H28 WeakPolarHBondContact O-CB 3.17Å; I25-H28 PolarHBondContact O-N 3.36Å; G26-H28 VanDerWaalsContact C-N 3.33Å
29	R	94.8	Very high	92.5	Very high	112 Å²	112	71.4 Å²	71.4	42%	0.423	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	122.9	165.9	179	-179.2	55.7	-130.9	-1.6	108.7	I31 D33 K34 I36	R29-I31 VanDerWaalsContact CD-O 3.26Å; R29-I31 WeakPolarHBondContact CD-O 3.19Å; R29-I31 HydrophobicContact CG-CG2 3.81Å; R29-I31 VanDerWaalsContact CG-O 3.23Å; R29-I31 WeakPolarHBondContact CG-O 3.27Å; R29-D33 WeakPolarHBondContact CD-O 3.48Å; R29-D33 PolarHBondContact NE-O 2.9Å; R29-K34 PolarHBondContact NH1-O 2.77Å; R29-I36 WeakPolarHBondContact CD-O 3.24Å; R29-I36 PolarHBondContact NH1-O 2.91Å
30	F	93.9	Very high	92.6	Very high	114 Å²	114	72.1 Å²	72.1	50%	0.5	35%	0.349	S	S	.	.			trans	-93.4	-38.9	178.6	-173.3	-79.3	0	0	0	111.1	Y21 P22 L23 I25	Y21-F30 VanDerWaalsContact CB-CE1 3.46Å; Y21-F30 AromaticContact CD2-CD1 3.71Å; Y21-F30 HydrophobicContact CD2-CD1 3.71Å; Y21-F30 AromaticContact CD2-CE1 4Å; Y21-F30 HydrophobicContact CD2-CE1 4Å; Y21-F30 HydrophobicContact CG-CD1 4.05Å; Y21-F30 AromaticContact CG-CE1 3.86Å; Y21-F30 HydrophobicContact CG-CE1 3.86Å; P22-F30 HydrophobicContact CG-CB 4.42Å; P22-F30 HydrophobicContact CG-CD1 4.17Å; P22-F30 HydrophobicContact CG-CD2 4.48Å; P22-F30 HydrophobicContact CG-CG 4.1Å; P22-F30 WeakPolarHBondContact O-CB 3.34Å; P22-F30 WeakPolarHBondContact O-CD1 3.32Å; L23-F30 PolarHBondContact O-N 3.41Å; I25-F30 HydrophobicContact CD1-CD2 3.92Å; I25-F30 HydrophobicContact CD1-CE2 4.47Å
31	I	92.4	Very high	92.8	Very high	15 Å²	15	69.9 Å²	69.9	8%	0.077	34%	0.336	C	S	.	.	S	Bend	trans	-66.1	137.7	175.1	-174	156.5	0	0	0	112.7	Y21 L23 R29 D33 I36	Y21-I31 HydrophobicContact CD2-CB 4.34Å; Y21-I31 HydrophobicContact CE2-CB 3.63Å; Y21-I31 HydrophobicContact CE2-CD1 3.9Å; Y21-I31 HydrophobicContact CE2-CG1 3.58Å; L23-I31 HydrophobicContact CB-CG2 4.37Å; L23-I31 HydrophobicContact CD2-CB 4.49Å; L23-I31 HydrophobicContact CD2-CD1 3.69Å; L23-I31 HydrophobicContact CD2-CG2 4.35Å; L23-I31 WeakPolarHBondContact O-CG2 3.31Å; L23-I31 PolarHBondContact O-N 3.03Å; R29-I31 VanDerWaalsContact CD-O 3.26Å; R29-I31 WeakPolarHBondContact CD-O 3.19Å; R29-I31 HydrophobicContact CG-CG2 3.81Å; R29-I31 VanDerWaalsContact CG-O 3.23Å; R29-I31 WeakPolarHBondContact CG-O 3.27Å; I31-D33 HydrophobicContact CD1-CB 4.41Å; I31-D33 HydrophobicContact CG1-CB 4Å; I31-D33 HydrophobicContact CG2-CB 4.35Å; I31-D33 PolarHBondContact O-N 2.84Å; I31-I36 HydrophobicContact CD1-CD1 4.16Å; I31-I36 HydrophobicContact CG2-CB 4.18Å; I31-I36 HydrophobicContact CG2-CD1 3.75Å; I31-I36 HydrophobicContact CG2-CG1 4.49Å; I31-I36 HydrophobicContact CG2-CG2 4.27Å
32	P	91.7	Very high	92.7	Very high	115 Å²	115	68.6 Å²	68.6	75%	0.747	34%	0.338	S	S	*	.	S	Bend	trans	-70.8	26	175.2	29.2	-37.8	0	0	0	114.8
33	D	93.5	Very high	92.3	Very high	37 Å²	37	71.3 Å²	71.3	20%	0.198	36%	0.358	C	S	.	.			trans	-102.9	107.4	177.7	-168.5	-18.1	0	0	0	112.3	R29 I31 R35 I36	R29-D33 WeakPolarHBondContact CD-O 3.48Å; R29-D33 PolarHBondContact NE-O 2.9Å; I31-D33 HydrophobicContact CD1-CB 4.41Å; I31-D33 HydrophobicContact CG1-CB 4Å; I31-D33 HydrophobicContact CG2-CB 4.35Å; I31-D33 PolarHBondContact O-N 2.84Å; D33-R35 PolarHBondContact O-N 3.07Å; D33-R35 WeakPolarHBondContact OD1-CB 3.13Å; D33-R35 VanDerWaalsContact OD1-CG 3.24Å; D33-R35 WeakPolarHBondContact OD1-CG 3.46Å; D33-R35 PolarHBondContact OD1-N 3.06Å; D33-R35 IonicContact OD1-NE 2.86Å; D33-R35 PolarHBondContact OD1-NE 2.73Å; D33-R35 VanDerWaalsContact OD1-NE 3.14Å; D33-R35 IonicContact OD2-CZ 2.64Å; D33-R35 IonicContact OD2-NE 3.14Å; D33-R35 PolarHBondContact OD2-NE 3.15Å; D33-R35 IonicContact OD2-NH2 2.97Å; D33-R35 PolarHBondContact OD2-NH2 2.96Å; D33-I36 HydrophobicContact CB-CD1 4.25Å; D33-I36 HydrophobicContact CB-CG1 4.38Å; D33-I36 PolarHBondContact O-N 2.9Å; D33-I36 VanDerWaalsContact O-N 3.08Å
34	K	95	Very high	92	Very high	177 Å²	177	73.5 Å²	73.5	77%	0.77	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.6	179.8	-64.8	-178.3	-177.8	177.5	0	114	R29 I36	R29-K34 PolarHBondContact NH1-O 2.77Å; K34-I36 VanDerWaalsContact C-N 3.3Å
35	R	95.9	Very high	91.8	Very high	27 Å²	27	75.4 Å²	75.4	10%	0.102	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.3	178.2	-62.1	179	-53.7	128.4	3.6	113.2	D33 I50 I51 K52 D57	D33-R35 PolarHBondContact O-N 3.07Å; D33-R35 WeakPolarHBondContact OD1-CB 3.13Å; D33-R35 VanDerWaalsContact OD1-CG 3.24Å; D33-R35 WeakPolarHBondContact OD1-CG 3.46Å; D33-R35 PolarHBondContact OD1-N 3.06Å; D33-R35 IonicContact OD1-NE 2.86Å; D33-R35 PolarHBondContact OD1-NE 2.73Å; D33-R35 VanDerWaalsContact OD1-NE 3.14Å; D33-R35 IonicContact OD2-CZ 2.64Å; D33-R35 IonicContact OD2-NE 3.14Å; D33-R35 PolarHBondContact OD2-NE 3.15Å; D33-R35 IonicContact OD2-NH2 2.97Å; D33-R35 PolarHBondContact OD2-NH2 2.96Å; R35-I50 HydrophobicContact CB-CG2 4.49Å; R35-I50 WeakPolarHBondContact O-CA 3.41Å; R35-I51 HydrophobicContact CB-CG1 4.03Å; R35-I51 VanDerWaalsContact CB-O 3.27Å; R35-I51 WeakPolarHBondContact CB-O 3.36Å; R35-I51 WeakPolarHBondContact CD-O 3.38Å; R35-I51 HydrophobicContact CG-CG1 4.39Å; R35-I51 WeakPolarHBondContact CG-O 3.32Å; R35-I51 WeakPolarHBondContact O-CG1 3.02Å; R35-I51 PolarHBondContact O-N 2.96Å; R35-K52 PolarHBondContact NH1-O 3.3Å; R35-D57 IonicContact CZ-OD1 2.74Å; R35-D57 IonicContact CZ-OD2 3.52Å; R35-D57 IonicContact NH1-OD1 3.16Å; R35-D57 PolarHBondContact NH1-OD1 2.85Å; R35-D57 IonicContact NH1-OD2 3.53Å; R35-D57 PolarHBondContact NH1-OD2 2.87Å; R35-D57 IonicContact NH2-OD1 3.4Å; R35-D57 PolarHBondContact NH2-OD1 2.78Å; R35-D57 IonicContact NH2-OD2 2.67Å
36	I	95.6	Very high	91.8	Very high	6 Å²	6	73.1 Å²	73.1	3%	0.031	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.9	-178.3	-63.7	178.8	0	0	0	108.9	L23 T24 R29 I31 D33 K34 L48 R49 I50	L23-I36 HydrophobicContact CD2-CD1 4.08Å; T24-I36 HydrophobicContact CG2-CG2 4.13Å; R29-I36 WeakPolarHBondContact CD-O 3.24Å; R29-I36 PolarHBondContact NH1-O 2.91Å; I31-I36 HydrophobicContact CD1-CD1 4.16Å; I31-I36 HydrophobicContact CG2-CB 4.18Å; I31-I36 HydrophobicContact CG2-CD1 3.75Å; I31-I36 HydrophobicContact CG2-CG1 4.49Å; I31-I36 HydrophobicContact CG2-CG2 4.27Å; D33-I36 HydrophobicContact CB-CD1 4.25Å; D33-I36 HydrophobicContact CB-CG1 4.38Å; D33-I36 PolarHBondContact O-N 2.9Å; D33-I36 VanDerWaalsContact O-N 3.08Å; K34-I36 VanDerWaalsContact C-N 3.3Å; I36-L48 HydrophobicContact CG2-CD1 3.7Å; I36-R49 CarbonylContact C-O 3.55Å; I36-R49 WeakPolarHBondContact CA-O 3.48Å; I36-I50 HydrophobicContact CG1-CG1 4.27Å; I36-I50 HydrophobicContact CG1-CG2 4.4Å
37	S	94.4	Very high	92	Very high	45 Å²	45	74.9 Å²	74.9	32%	0.315	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	151.4	177.8	55.9	0	0	0	0	110.7	R49	S37-R49 PolarHBondContact N-O 3.04Å; S37-R49 PolarHBondContact O-N 2.98Å; S37-R49 PolarHBondContact OG-O 2.87Å
38	I	93.5	Very high	92.3	Very high	31 Å²	31	70.5 Å²	70.5	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.8	174.6	-166.8	76.6	0	0	0	108.7	T24 N27 W46	T24-I38 HydrophobicContact CG2-CB 4.47Å; N27-I38 WeakPolarHBondContact O-CG2 3.32Å; I38-W46 HydrophobicContact CD1-CB 4.5Å; I38-W46 HydrophobicContact CD1-CE3 4.16Å; I38-W46 HydrophobicContact CG1-CE3 3.62Å; I38-W46 HydrophobicContact CG1-CZ3 4.07Å
39	K	92.1	Very high	92.4	Very high	134 Å²	134	70.7 Å²	70.7	58%	0.583	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.5	173.4	-178	174.5	-178.1	172.1	0	109.4	I47	K39-I47 HydrophobicContact CB-CB 4.43Å; K39-I47 PolarHBondContact N-O 3.1Å; K39-I47 WeakPolarHBondContact O-CB 3.12Å; K39-I47 PolarHBondContact O-N 2.61Å
40	Q	90.4	Very high	92.4	Very high	83 Å²	83	67.1 Å²	67.1	39%	0.388	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.5	169.4	-166.4	174.3	16.2	0	0	109	S42 S43 W46	Q40-S42 WeakPolarHBondContact CG-O 3.47Å; Q40-S42 PolarHBondContact NE2-O 3.5Å; Q40-S43 PolarHBondContact NE2-O 3.4Å; Q40-W46 HydrophobicContact CB-CD2 4.34Å; Q40-W46 HydrophobicContact CB-CE3 4.24Å; Q40-W46 HydrophobicContact CB-CZ3 4.37Å; Q40-W46 HydrophobicContact CG-CD2 4.09Å; Q40-W46 HydrophobicContact CG-CE3 4.44Å; Q40-W46 HydrophobicContact CG-CH2 4.4Å; Q40-W46 HydrophobicContact CG-CZ2 4.02Å
41	K	88.9	Confident	92.4	Very high	149 Å²	149	65.1 Å²	65.1	65%	0.648	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	-32.9	176.6	-172.7	175.5	179.4	178	0	111.6	K45 I47	K41-K45 HydrophobicContact CB-CB 4.48Å; K41-K45 HydrophobicContact CB-CD 4.41Å; K41-K45 HydrophobicContact CB-CG 4.38Å; K41-K45 HydrophobicContact CD-CD 4.33Å; K41-K45 PolarHBondContact N-O 2.8Å; K41-I47 HydrophobicContact CB-CD1 4.31Å
42	S	87.4	Confident	92.5	Very high	49 Å²	49	72.9 Å²	72.9	34%	0.343	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	171.1	174.4	52.7	0	0	0	0	108.5	Q40 N44 K45	Q40-S42 WeakPolarHBondContact CG-O 3.47Å; Q40-S42 PolarHBondContact NE2-O 3.5Å; S42-N44 PolarHBondContact O-N 3.33Å; S42-N44 VanDerWaalsContact O-N 3.12Å; S42-N44 PolarHBondContact OG-OD1 3.27Å; S42-K45 PolarHBondContact N-O 3.41Å; S42-K45 PolarHBondContact O-N 3.1Å; S42-K45 WeakPolarHBondContact OG-CB 3.18Å
43	S	85.1	Confident	92.5	Very high	83 Å²	83	70.2 Å²	70.2	58%	0.58	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-46.2	178.7	51.1	0	0	0	0	112.8	Q40 W46	Q40-S43 PolarHBondContact NE2-O 3.4Å; S43-W46 PolarHBondContact O-NE1 2.9Å
44	N	88.7	Confident	92.4	Very high	48 Å²	48	74 Å²	74	26%	0.257	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-3.4	-177.8	65.4	-6.3	0	0	0	115.2	I4 I5 S42	I4-N44 CarbonylContact C-O 3.59Å; I4-N44 WeakPolarHBondContact CA-O 3.37Å; I4-N44 HydrophobicContact CG2-CB 4.47Å; I4-N44 WeakPolarHBondContact CG2-O 3.41Å; I5-N44 PolarHBondContact N-O 3.41Å; I5-N44 WeakPolarHBondContact O-CB 3.24Å; S42-N44 PolarHBondContact O-N 3.33Å; S42-N44 VanDerWaalsContact O-N 3.12Å; S42-N44 PolarHBondContact OG-OD1 3.27Å
45	K	90.9	Very high	92	Very high	40 Å²	40	69.8 Å²	69.8	17%	0.174	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.6	-169.3	-169.8	172.8	-177	158.6	0	113	R2 K41 S42	R2-K45 HydrophobicContact CG-CG 4.31Å; R2-K45 VanDerWaalsContact NE-CE 3.29Å; K41-K45 HydrophobicContact CB-CB 4.48Å; K41-K45 HydrophobicContact CB-CD 4.41Å; K41-K45 HydrophobicContact CB-CG 4.38Å; K41-K45 HydrophobicContact CD-CD 4.33Å; K41-K45 PolarHBondContact N-O 2.8Å; S42-K45 PolarHBondContact N-O 3.41Å; S42-K45 PolarHBondContact O-N 3.1Å; S42-K45 WeakPolarHBondContact OG-CB 3.18Å
46	W	92.5	Very high	91.7	Very high	16 Å²	16	73.2 Å²	73.2	6%	0.061	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.5	-171.8	-65	77.8	0	0	0	110.6	R2 C3 I5 I12 N27 I38 Q40 S43	R2-W46 CarbonylContact C-O 3.5Å; R2-W46 WeakPolarHBondContact CA-O 3.34Å; C3-W46 PolarHBondContact N-O 2.99Å; C3-W46 PolarHBondContact O-N 2.87Å; I5-W46 HydrophobicContact CD1-CZ2 4.46Å; I12-W46 HydrophobicContact CD1-CB 3.3Å; I12-W46 HydrophobicContact CD1-CD2 4.19Å; I12-W46 HydrophobicContact CD1-CG 3.64Å; I12-W46 HydrophobicContact CG2-CD2 3.76Å; I12-W46 HydrophobicContact CG2-CE3 3.6Å; I12-W46 HydrophobicContact CG2-CG 4.29Å; I12-W46 HydrophobicContact CG2-CH2 4.18Å; I12-W46 HydrophobicContact CG2-CZ2 4.34Å; I12-W46 HydrophobicContact CG2-CZ3 3.78Å; N27-W46 VanDerWaalsContact OD1-CH2 3.26Å; N27-W46 WeakPolarHBondContact OD1-CH2 3.34Å; N27-W46 WeakPolarHBondContact OD1-CZ3 2.96Å; I38-W46 HydrophobicContact CD1-CB 4.5Å; I38-W46 HydrophobicContact CD1-CE3 4.16Å; I38-W46 HydrophobicContact CG1-CE3 3.62Å; I38-W46 HydrophobicContact CG1-CZ3 4.07Å; Q40-W46 HydrophobicContact CB-CD2 4.34Å; Q40-W46 HydrophobicContact CB-CE3 4.24Å; Q40-W46 HydrophobicContact CB-CZ3 4.37Å; Q40-W46 HydrophobicContact CG-CD2 4.09Å; Q40-W46 HydrophobicContact CG-CE3 4.44Å; Q40-W46 HydrophobicContact CG-CH2 4.4Å; Q40-W46 HydrophobicContact CG-CZ2 4.02Å; S43-W46 PolarHBondContact O-NE1 2.9Å
47	I	93.6	Very high	91.5	Very high	49 Å²	49	73.5 Å²	73.5	25%	0.251	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	115.3	-175.6	-58.2	176.9	0	0	0	108.9	M1 K39 K41	M1-I47 CarbonylContact O-C 3.59Å; M1-I47 VanDerWaalsContact O-CA 3.26Å; M1-I47 WeakPolarHBondContact O-CA 3.18Å; K39-I47 HydrophobicContact CB-CB 4.43Å; K39-I47 PolarHBondContact N-O 3.1Å; K39-I47 WeakPolarHBondContact O-CB 3.12Å; K39-I47 PolarHBondContact O-N 2.61Å; K41-I47 HydrophobicContact CB-CD1 4.31Å
48	L	95	Very high	91.2	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.2	166.2	-175.2	68.8	0	0	0	109.1	M1 W14 L23 T24 I36 Y61	M1-L48 HydrophobicContact CB-CB 4.44Å; M1-L48 HydrophobicContact CE-CB 4.32Å; M1-L48 HydrophobicContact CE-CD2 3.48Å; M1-L48 VanDerWaalsContact CE-CD2 3.48Å; M1-L48 HydrophobicContact CE-CG 3.97Å; M1-L48 PolarHBondContact N-O 2.98Å; M1-L48 PolarHBondContact O-N 2.85Å; M1-L48 HydrophobicContact SD-CD2 4.38Å; W14-L48 HydrophobicContact CB-CD1 4.37Å; W14-L48 HydrophobicContact CB-CD2 4.05Å; W14-L48 HydrophobicContact CD2-CB 3.74Å; W14-L48 HydrophobicContact CD2-CD2 3.76Å; W14-L48 HydrophobicContact CD2-CG 4.26Å; W14-L48 HydrophobicContact CE3-CB 4.25Å; W14-L48 HydrophobicContact CE3-CD2 3.75Å; W14-L48 HydrophobicContact CG-CB 4.07Å; W14-L48 HydrophobicContact CG-CD1 4.2Å; W14-L48 HydrophobicContact CG-CD2 3.92Å; W14-L48 HydrophobicContact CG-CG 4.3Å; W14-L48 HydrophobicContact CH2-CB 4.43Å; W14-L48 HydrophobicContact CZ2-CB 3.91Å; W14-L48 HydrophobicContact CZ3-CD2 4.45Å; L23-L48 HydrophobicContact CD1-CD2 3.8Å; T24-L48 HydrophobicContact CG2-CD1 3.93Å; I36-L48 HydrophobicContact CG2-CD1 3.7Å; L48-Y61 HydrophobicContact CD2-CD1 3.98Å; L48-Y61 HydrophobicContact CD2-CE1 4.44Å
49	R	94.8	Very high	90.9	Very high	152 Å²	152	71.5 Å²	71.5	57%	0.574	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.4	179.7	179.5	179.2	178.8	137.7	0.4	109.9	I36 S37 I51	I36-R49 CarbonylContact C-O 3.55Å; I36-R49 WeakPolarHBondContact CA-O 3.48Å; S37-R49 PolarHBondContact N-O 3.04Å; S37-R49 PolarHBondContact O-N 2.98Å; S37-R49 PolarHBondContact OG-O 2.87Å; R49-I51 HydrophobicContact CG-CG2 4.24Å
50	I	95	Very high	90.7	Very high	37 Å²	37	65.3 Å²	65.3	19%	0.19	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.3	173	-47.9	-177	0	0	0	106.9	M1 R35 I36 Y61	M1-I50 HydrophobicContact CE-CD1 3.91Å; M1-I50 HydrophobicContact CE-CG1 4.24Å; R35-I50 HydrophobicContact CB-CG2 4.49Å; R35-I50 WeakPolarHBondContact O-CA 3.41Å; I36-I50 HydrophobicContact CG1-CG1 4.27Å; I36-I50 HydrophobicContact CG1-CG2 4.4Å; I50-Y61 HydrophobicContact CD1-CE1 3.82Å; I50-Y61 WeakPolarHBondContact CD1-OH 3.31Å
51	I	94.9	Very high	90.8	Very high	72 Å²	72	61.5 Å²	61.5	37%	0.369	32%	0.317	S	S	.	.	S	Bend	trans	-92.6	152.9	174.4	60.4	166.4	0	0	0	110.4	R35 R49 A53	R35-I51 HydrophobicContact CB-CG1 4.03Å; R35-I51 VanDerWaalsContact CB-O 3.27Å; R35-I51 WeakPolarHBondContact CB-O 3.36Å; R35-I51 WeakPolarHBondContact CD-O 3.38Å; R35-I51 HydrophobicContact CG-CG1 4.39Å; R35-I51 WeakPolarHBondContact CG-O 3.32Å; R35-I51 WeakPolarHBondContact O-CG1 3.02Å; R35-I51 PolarHBondContact O-N 2.96Å; R49-I51 HydrophobicContact CG-CG2 4.24Å; I51-A53 PolarHBondContact O-N 2.75Å
52	K	93	Very high	90.9	Very high	179 Å²	179	55 Å²	55	78%	0.778	29%	0.29	S	S	*	.	S	Bend	trans	49.7	57.3	-179.4	-56.9	-177.8	179	-175.4	0	111.1	R35	R35-K52 PolarHBondContact NH1-O 3.3Å
53	A	92.1	Very high	91.1	Very high	59 Å²	59	53.1 Å²	53.1	49%	0.488	28%	0.276	S	S	.	.			trans	-58.5	140.4	-176.9	0	0	0	0	0	110.7	I51 D57 V101	I51-A53 PolarHBondContact O-N 2.75Å; A53-D57 VanDerWaalsContact CA-OD2 3.28Å; A53-D57 WeakPolarHBondContact CA-OD2 3.4Å; A53-V101 HydrophobicContact CB-CG1 4.03Å; A53-V101 HydrophobicContact CB-CG2 4.08Å
54	K	92.4	Very high	91.3	Very high	117 Å²	117	52.1 Å²	52.1	51%	0.509	27%	0.267	S	S	.	.			trans	-112.5	157.3	177.7	-64.8	174.8	-176.8	-178.8	0	109	T56 D57 V101	K54-T56 PolarHBondContact O-N 2.92Å; K54-T56 VanDerWaalsContact O-N 3.13Å; K54-D57 PolarHBondContact N-OD2 2.81Å; K54-D57 WeakPolarHBondContact O-CB 3.42Å; K54-D57 PolarHBondContact O-N 2.78Å; K54-V101 WeakPolarHBondContact O-CB 3.38Å; K54-V101 WeakPolarHBondContact O-CG1 3.44Å; K54-V101 WeakPolarHBondContact O-CG2 3.27Å
55	L	85.9	Confident	91.3	Very high	87 Å²	87	50.7 Å²	50.7	46%	0.455	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-52.4	-37.1	175.6	-69.1	-178.6	0	0	0	112.6	D57 S58 V101 E103	L55-D57 PolarHBondContact O-N 2.79Å; L55-S58 VanDerWaalsContact O-CB 3.31Å; L55-S58 WeakPolarHBondContact O-CB 2.78Å; L55-S58 PolarHBondContact O-N 2.85Å; L55-S58 VanDerWaalsContact O-N 3.1Å; L55-S58 PolarHBondContact O-OG 2.84Å; L55-V101 HydrophobicContact CD2-CG1 4.5Å; L55-V101 VanDerWaalsContact CD2-O 3.3Å; L55-V101 WeakPolarHBondContact CD2-O 3.38Å; L55-E103 HydrophobicContact CD1-CG 4.21Å; L55-E103 WeakPolarHBondContact CD1-OE1 3.47Å; L55-E103 HydrophobicContact CD2-CG 4.12Å; L55-E103 HydrophobicContact CG-CG 4.3Å
56	T	89	Confident	91	Very high	100 Å²	100	55.5 Å²	55.5	61%	0.613	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-66	-14.3	177.6	56.7	0	0	0	0	114.9	K16 K54 S58	K16-T56 PolarHBondContact NZ-O 3.45Å; K54-T56 PolarHBondContact O-N 2.92Å; K54-T56 VanDerWaalsContact O-N 3.13Å; T56-S58 PolarHBondContact O-N 2.81Å
57	D	91.5	Very high	90.5	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.059	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-79.8	-6.4	174.5	-54.8	-28.3	0	0	0	111.7	R35 A53 K54 L55 Y61 V101	R35-D57 IonicContact CZ-OD1 2.74Å; R35-D57 IonicContact CZ-OD2 3.52Å; R35-D57 IonicContact NH1-OD1 3.16Å; R35-D57 PolarHBondContact NH1-OD1 2.85Å; R35-D57 IonicContact NH1-OD2 3.53Å; R35-D57 PolarHBondContact NH1-OD2 2.87Å; R35-D57 IonicContact NH2-OD1 3.4Å; R35-D57 PolarHBondContact NH2-OD1 2.78Å; R35-D57 IonicContact NH2-OD2 2.67Å; A53-D57 VanDerWaalsContact CA-OD2 3.28Å; A53-D57 WeakPolarHBondContact CA-OD2 3.4Å; K54-D57 PolarHBondContact N-OD2 2.81Å; K54-D57 WeakPolarHBondContact O-CB 3.42Å; K54-D57 PolarHBondContact O-N 2.78Å; L55-D57 PolarHBondContact O-N 2.79Å; D57-Y61 VanDerWaalsContact O-CE2 3.28Å; D57-Y61 WeakPolarHBondContact O-CE2 3.26Å; D57-Y61 PolarHBondContact O-OH 2.83Å; D57-V101 HydrophobicContact CB-CG2 4.08Å
58	S	87.9	Confident	89.7	Confident	30 Å²	30	58.5 Å²	58.5	21%	0.21	30%	0.3	C	S	.	.			trans	-62.8	138.9	172.7	-53	0	0	0	0	110.2	L55 T56 I99 V101	L55-S58 VanDerWaalsContact O-CB 3.31Å; L55-S58 WeakPolarHBondContact O-CB 2.78Å; L55-S58 PolarHBondContact O-N 2.85Å; L55-S58 VanDerWaalsContact O-N 3.1Å; L55-S58 PolarHBondContact O-OG 2.84Å; T56-S58 PolarHBondContact O-N 2.81Å; S58-I99 CarbonylContact C-O 3.57Å; S58-I99 WeakPolarHBondContact CA-O 3.35Å; S58-I99 WeakPolarHBondContact CB-O 3.39Å; S58-V101 PolarHBondContact OG-N 2.91Å
59	G	87.4	Confident	88.4	Confident	5 Å²	5	64.5 Å²	64.5	5%	0.052	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.3	-179.1	-178	0	0	0	0	0	113.2	Y61 Y98 I99	G59-Y61 WeakPolarHBondContact O-CD2 3.42Å; G59-Y98 WeakPolarHBondContact O-CA 3.47Å; G59-I99 PolarHBondContact N-O 2.79Å; G59-I99 PolarHBondContact O-N 2.79Å
60	L	87.9	Confident	86.2	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.016	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.3	178.6	-173.1	65.3	0	0	0	110.6	K16 I17 D96 Y97 Y98 Q210 I212 F277	K16-L60 CarbonylContact C-O 3.53Å; K16-L60 WeakPolarHBondContact CA-O 3.03Å; I17-L60 HydrophobicContact CB-CB 4.29Å; I17-L60 HydrophobicContact CG1-CB 3.92Å; I17-L60 HydrophobicContact CG1-CD2 4.02Å; I17-L60 HydrophobicContact CG1-CG 4.15Å; I17-L60 PolarHBondContact N-O 2.81Å; L60-D96 HydrophobicContact CD1-CB 3.96Å; L60-Y97 CarbonylContact C-O 3.53Å; L60-Y97 WeakPolarHBondContact CA-O 3.22Å; L60-Y98 HydrophobicContact CB-CD2 4.31Å; L60-Q210 VanDerWaalsContact CD2-OE1 3.27Å; L60-I212 HydrophobicContact CB-CD1 3.82Å; L60-I212 HydrophobicContact CD2-CD1 3.52Å; L60-I212 HydrophobicContact CD2-CG1 4.2Å; L60-I212 HydrophobicContact CG-CD1 4.3Å; L60-F277 HydrophobicContact CD1-CD1 4.36Å; L60-F277 HydrophobicContact CD1-CD2 4.12Å; L60-F277 HydrophobicContact CD1-CE1 3.88Å; L60-F277 HydrophobicContact CD1-CE2 3.6Å; L60-F277 HydrophobicContact CD1-CG 4.48Å; L60-F277 HydrophobicContact CD1-CZ 3.49Å; L60-F277 VanDerWaalsContact CD1-CZ 3.49Å; L60-F277 HydrophobicContact CD2-CD2 4.38Å; L60-F277 HydrophobicContact CD2-CE2 3.98Å; L60-F277 HydrophobicContact CG-CE2 4.5Å
61	Y	92.3	Very high	84	Confident	3 Å²	3	70.8 Å²	70.8	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131	178.5	-66.2	-104.1	0	0	0	110	M1 N15 K16 L23 L48 I50 D57 G59 Y97 I99	M1-Y61 HydrophobicContact CE-CD1 3.83Å; M1-Y61 HydrophobicContact CE-CD2 4.45Å; M1-Y61 HydrophobicContact CE-CE1 4.07Å; M1-Y61 HydrophobicContact CE-CG 4.02Å; M1-Y61 WeakPolarHBondContact SD-CB 3.32Å; M1-Y61 HydrophobicContact SD-CD1 3.9Å; M1-Y61 HydrophobicContact SD-CD2 3.89Å; M1-Y61 HydrophobicContact SD-CG 3.49Å; N15-Y61 CarbonylContact O-C 3.58Å; N15-Y61 VanDerWaalsContact O-CA 3.26Å; N15-Y61 WeakPolarHBondContact O-CA 3.36Å; K16-Y61 HydrophobicContact CB-CD1 4.01Å; K16-Y61 HydrophobicContact CB-CE1 3.9Å; K16-Y61 HydrophobicContact CD-CE1 4.13Å; K16-Y61 HydrophobicContact CD-CE2 4.45Å; K16-Y61 HydrophobicContact CG-CD1 4.5Å; K16-Y61 HydrophobicContact CG-CE1 4.15Å; K16-Y61 HydrophobicContact CG-CE2 4.39Å; L23-Y61 HydrophobicContact CD1-CD1 3.6Å; L23-Y61 HydrophobicContact CD1-CE1 3.57Å; L48-Y61 HydrophobicContact CD2-CD1 3.98Å; L48-Y61 HydrophobicContact CD2-CE1 4.44Å; I50-Y61 HydrophobicContact CD1-CE1 3.82Å; I50-Y61 WeakPolarHBondContact CD1-OH 3.31Å; D57-Y61 VanDerWaalsContact O-CE2 3.28Å; D57-Y61 WeakPolarHBondContact O-CE2 3.26Å; D57-Y61 PolarHBondContact O-OH 2.83Å; G59-Y61 WeakPolarHBondContact O-CD2 3.42Å; Y61-Y97 PolarHBondContact N-O 2.86Å; Y61-Y97 PolarHBondContact O-N 3.37Å; Y61-I99 HydrophobicContact CD2-CB 4.14Å; Y61-I99 HydrophobicContact CD2-CG1 3.65Å; Y61-I99 HydrophobicContact CE2-CB 3.89Å; Y61-I99 HydrophobicContact CE2-CG1 3.82Å
62	T	91.4	Very high	81.6	Confident	14 Å²	14	76.7 Å²	76.7	9%	0.086	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.8	-178.7	67.3	0	0	0	0	109.8	W14 N15 I17 D96	W14-T62 WeakPolarHBondContact CA-O 3.36Å; N15-T62 PolarHBondContact N-O 2.86Å; N15-T62 PolarHBondContact O-N 2.98Å; I17-T62 HydrophobicContact CD1-CG2 4.43Å; T62-D96 WeakPolarHBondContact CA-OD1 3.44Å; T62-D96 VanDerWaalsContact CB-OD1 3.31Å; T62-D96 WeakPolarHBondContact CB-OD1 3.36Å; T62-D96 HydrophobicContact CG2-CB 4.36Å; T62-D96 VanDerWaalsContact CG2-OD1 3.29Å; T62-D96 WeakPolarHBondContact CG2-OD1 3.47Å
63	C	92.3	Very high	79	Confident	9 Å²	9	73.5 Å²	73.5	6%	0.061	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.6	168.2	-178.1	0	0	0	0	110.2	C3 I12 I13 W14 N94	C3-C63 HydrophobicContact CB-CB 3.5Å; C3-C63 VanDerWaalsContact CB-CB 3.5Å; C3-C63 WeakPolarHBondContact CB-SG 3.42Å; C3-C63 WeakPolarHBondContact SG-CB 3.49Å; C3-C63 CovalentContact SG-SG 2.01Å; C3-C63 PolarHBondContact SG-SG 3.21Å; I12-C63 WeakPolarHBondContact CD1-SG 3.19Å; I12-C63 WeakPolarHBondContact CG1-SG 3.37Å; I13-C63 WeakPolarHBondContact O-CA 3.42Å; W14-C63 HydrophobicContact CD2-CB 4.12Å; W14-C63 HydrophobicContact CE3-CB 4.02Å; W14-C63 HydrophobicContact CH2-CB 3.86Å; W14-C63 HydrophobicContact CZ2-CB 3.98Å; W14-C63 HydrophobicContact CZ3-CB 3.88Å; C63-N94 HydrophobicContact CB-CB 4.41Å
64	T	89.8	Confident	76.7	Confident	61 Å²	61	78.1 Å²	78.1	37%	0.374	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.1	176.7	56.1	0	0	0	0	110.4	I12 I13	I12-T64 CarbonylContact C-O 3.5Å; I13-T64 WeakPolarHBondContact CB-OG1 3.1Å; I13-T64 PolarHBondContact N-O 2.8Å; I13-T64 PolarHBondContact O-N 3.44Å; I13-T64 PolarHBondContact O-OG1 2.91Å
65	T	87.7	Confident	74	Confident	18 Å²	18	81.1 Å²	81.1	11%	0.11	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132	-179.9	53.3	0	0	0	0	109.6	I5 V11	I5-T65 HydrophobicContact CB-CG2 3.69Å; I5-T65 HydrophobicContact CG2-CG2 3.28Å; V11-T65 WeakPolarHBondContact O-CA 3.38Å
66	K	84.7	Confident	71.9	Confident	142 Å²	142	84 Å²	84	62%	0.617	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.7	174.7	-176.8	177.2	-179	179.5	0	109.4	H10 V11	H10-K66 CarbonylContact C-O 3.48Å; H10-K66 WeakPolarHBondContact CA-O 3.49Å; V11-K66 HydrophobicContact CG1-CB 3.77Å; V11-K66 PolarHBondContact N-O 2.81Å; V11-K66 PolarHBondContact O-N 3.21Å
67	S	81.5	Confident	69.7	Low	40 Å²	40	89 Å²	89	28%	0.28	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.5	175.7	-169.6	0	0	0	0	110.1	H69	S67-H69 PolarHBondContact OG-CD2 2.92Å; S67-H69 VanDerWaalsContact OG-CD2 3.23Å
68	I	77.4	Confident	67.5	Low	87 Å²	87	93.4 Å²	93.4	45%	0.446	48%	0.478	S	S	.	.			trans	-100.3	83.2	170.4	-51.4	160.2	0	0	0	106.1	S9 V11	S9-I68 WeakPolarHBondContact CB-O 2.95Å; S9-I68 PolarHBondContact O-N 2.79Å; V11-I68 HydrophobicContact CB-CD1 4.02Å; V11-I68 HydrophobicContact CB-CG1 4.23Å; V11-I68 HydrophobicContact CG1-CG1 4.34Å
69	H	66.7	Low	65	Low	129 Å²	129	99.6 Å²	99.6	60%	0.597	51%	0.509	S	S	*	.			trans	-94.9	125.2	160.2	-84.3	-68.5	0	0	0	107.4	S67 E71 L87	S67-H69 PolarHBondContact OG-CD2 2.92Å; S67-H69 VanDerWaalsContact OG-CD2 3.23Å; H69-E71 PolarHBondContact O-N 2.8Å; H69-E71 VanDerWaalsContact O-N 3.07Å; H69-L87 HydrophobicContact CB-CD1 4.14Å
70	N	49.6	Very low	63	Low	127 Å²	127	108 Å²	108	68%	0.679	55%	0.547	S	S	*	.			trans	-57.5	114.2	174	-88.8	3.5	0	0	0	108.8	Y72	N70-Y72 PolarHBondContact O-N 2.79Å
71	E	49.4	Very low	60.8	Low	193 Å²	193	113.7 Å²	113.7	90%	0.902	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	35	165.7	-158.5	168.2	-162	0	0	111.3	H69	H69-E71 PolarHBondContact O-N 2.8Å; H69-E71 VanDerWaalsContact O-N 3.07Å
72	Y	43.3	Very low	58.2	Low	197 Å²	197	121.7 Å²	121.7	77%	0.773	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	14.4	-170.3	-109.2	-84.9	0	0	0	114.4	N70	N70-Y72 PolarHBondContact O-N 2.79Å
73	S	38.6	Very low	56	Low	112 Å²	112	131.7 Å²	131.7	78%	0.783	66%	0.661	S	S	*	*			trans	-107.9	47.6	168.7	44.8	0	0	0	0	112.4
74	I	44.3	Very low	53.5	Low	156 Å²	156	138.6 Å²	138.6	80%	0.8	70%	0.697	S	S	*	*			trans	-120.5	71.7	155.9	-51.8	178.5	0	0	0	107
75	K	35.6	Very low	51.1	Low	180 Å²	180	146.8 Å²	146.8	78%	0.783	72%	0.722	S	S	*	*			trans	-122.2	71.7	153.3	-75.6	-170.6	180	-176.7	0	106.1
76	D	41	Very low	48.9	Very low	148 Å²	148	152.3 Å²	152.3	79%	0.791	76%	0.755	S	S	*	*			trans	-147.7	114.4	153.3	-92.8	-33.4	0	0	0	108	S78	D76-S78 PolarHBondContact O-N 2.79Å; D76-S78 VanDerWaalsContact O-N 3.11Å
77	H	44.5	Very low	47	Very low	203 Å²	203	150.2 Å²	150.2	94%	0.94	75%	0.75	S	S	*	*			trans	-62.7	101.1	170.7	-92.3	-74.3	0	0	0	109
78	S	43.9	Very low	45.2	Very low	105 Å²	105	153.2 Å²	153.2	73%	0.734	77%	0.769	S	S	*	*			trans	-172.5	120.8	146.5	41.1	0	0	0	0	111.6	D76 Q80	D76-S78 PolarHBondContact O-N 2.79Å; D76-S78 VanDerWaalsContact O-N 3.11Å; S78-Q80 PolarHBondContact O-N 3.37Å
79	N	36.5	Very low	43.7	Very low	160 Å²	160	155 Å²	155	86%	0.856	78%	0.778	S	S	*	*			trans	-12.2	106	165.1	-59.8	-21.5	0	0	0	117
80	Q	44.8	Very low	42.9	Very low	180 Å²	180	153.8 Å²	153.8	84%	0.841	78%	0.775	S	S	*	*			trans	-163.1	110.4	151.9	-116.3	161	41.9	0	0	113.2	S78	S78-Q80 PolarHBondContact O-N 3.37Å
81	T	42.4	Very low	43.1	Very low	124 Å²	124	154.9 Å²	154.9	76%	0.761	78%	0.776	S	S	*	*			trans	29.9	107.7	150.2	57.6	0	0	0	0	118.3	R83	T81-R83 PolarHBondContact O-N 3.4Å
82	N	37.6	Very low	43.7	Very low	171 Å²	171	148.8 Å²	148.8	91%	0.914	75%	0.748	S	S	*	*			trans	-56.1	92.1	165.2	-73.7	-27	0	0	0	111.5
83	R	44.2	Very low	44.9	Very low	224 Å²	224	147.2 Å²	147.2	85%	0.845	75%	0.753	S	S	*	*			trans	-100.9	112.3	154.4	-95.3	-177.9	174.1	156.4	-1.4	107.1	T81 R85	T81-R83 PolarHBondContact O-N 3.4Å; R83-R85 VanDerWaalsContact C-N 3.26Å; R83-R85 PolarHBondContact O-N 3.15Å
84	N	39.3	Very low	46.9	Very low	153 Å²	153	142.9 Å²	142.9	82%	0.818	72%	0.721	S	S	*	*			trans	-53.5	91	166.1	-69.9	-17.9	0	0	0	108.7	T86	N84-T86 VanDerWaalsContact C-N 3.27Å; N84-T86 PolarHBondContact O-N 3.38Å
85	R	39.9	Very low	48.8	Very low	234 Å²	234	138.9 Å²	138.9	88%	0.883	71%	0.706	S	S	*	*			trans	-78	85.7	171.4	-87.6	-176.4	170.7	164	-1.5	107.1	R83 L87	R83-R85 VanDerWaalsContact C-N 3.26Å; R83-R85 PolarHBondContact O-N 3.15Å; R85-L87 PolarHBondContact O-N 3.38Å
86	T	42.1	Very low	51.2	Low	133 Å²	133	132 Å²	132	82%	0.816	68%	0.677	S	S	*	*			trans	-59	108.1	163.4	-19.1	0	0	0	0	107	N84	N84-T86 VanDerWaalsContact C-N 3.27Å; N84-T86 PolarHBondContact O-N 3.38Å
87	L	44.4	Very low	53.5	Low	98 Å²	98	127.7 Å²	127.7	51%	0.513	65%	0.65	S	S	.	*			trans	-54.1	130.8	176.5	-81.8	157.6	0	0	0	108.8	H69 R85 I89	H69-L87 HydrophobicContact CB-CD1 4.14Å; R85-L87 PolarHBondContact O-N 3.38Å; L87-I89 PolarHBondContact O-N 3.41Å
88	P	43.9	Very low	55.5	Low	103 Å²	103	119.2 Å²	119.2	67%	0.669	61%	0.61	S	S	*	*			trans	-61.2	115.7	179.3	23.9	-30.3	0	0	0	108.1	I90	P88-I90 VanDerWaalsContact C-N 3.33Å; P88-I90 PolarHBondContact O-N 3.49Å
89	I	46.6	Very low	57.6	Low	125 Å²	125	116.6 Å²	116.6	64%	0.641	59%	0.587	S	S	*	*			trans	-67.4	99.5	170.1	-54.3	174.3	0	0	0	105.3	L87 Q91	L87-I89 PolarHBondContact O-N 3.41Å; I89-Q91 HydrophobicContact CB-CG 4.22Å; I89-Q91 HydrophobicContact CG2-CG 3.44Å; I89-Q91 VanDerWaalsContact CG2-CG 3.44Å; I89-Q91 PolarHBondContact O-N 3.49Å
90	I	49.3	Very low	59.8	Low	104 Å²	104	110.4 Å²	110.4	53%	0.533	56%	0.557	S	S	.	*			trans	-69.4	87.8	168.3	-58.1	176.5	0	0	0	105.9	P6 P88 M92	P6-I90 HydrophobicContact CG-CB 4.43Å; P6-I90 HydrophobicContact CG-CG2 4.07Å; P88-I90 VanDerWaalsContact C-N 3.33Å; P88-I90 PolarHBondContact O-N 3.49Å; I90-M92 PolarHBondContact O-N 3.46Å; I90-M92 VanDerWaalsContact O-N 3.16Å
91	Q	53	Low	61.8	Low	150 Å²	150	103.1 Å²	103.1	70%	0.701	52%	0.524	S	S	*	.			trans	-75.8	100.9	175.4	-70.2	-168.9	-33.8	0	0	107.8	I89	I89-Q91 HydrophobicContact CB-CG 4.22Å; I89-Q91 HydrophobicContact CG2-CG 3.44Å; I89-Q91 VanDerWaalsContact CG2-CG 3.44Å; I89-Q91 PolarHBondContact O-N 3.49Å
92	M	63	Low	63.6	Low	65 Å²	65	99.8 Å²	99.8	32%	0.32	50%	0.504	S	S	.	.			trans	-69.5	130.8	162.8	-94.7	168.6	63	0	0	109.3	I4 P6 I90 N94	I4-M92 HydrophobicContact CB-CE 3.52Å; I4-M92 HydrophobicContact CG2-CE 3.36Å; I4-M92 WeakPolarHBondContact O-CE 3.39Å; P6-M92 WeakPolarHBondContact CA-SD 3.36Å; P6-M92 HydrophobicContact CB-SD 3.92Å; P6-M92 WeakPolarHBondContact CD-SD 3.39Å; P6-M92 HydrophobicContact CG-CG 4.12Å; P6-M92 HydrophobicContact CG-SD 3.51Å; P6-M92 VanDerWaalsContact CG-SD 3.51Å; I90-M92 PolarHBondContact O-N 3.46Å; I90-M92 VanDerWaalsContact O-N 3.16Å; M92-N94 PolarHBondContact O-N 3.12Å
93	N	67.7	Low	65.4	Low	163 Å²	163	98.1 Å²	98.1	87%	0.872	49%	0.49	S	S	*	.			trans	-69.6	68.6	178.8	-70.2	-8.6	0	0	0	111
94	N	81.6	Confident	66.6	Low	22 Å²	22	93.3 Å²	93.3	12%	0.118	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-70.6	135.1	169.1	-75.5	-64.4	0	0	0	109.1	C3 I4 C63 M92	C3-N94 PolarHBondContact SG-ND2 3.31Å; I4-N94 PolarHBondContact N-OD1 3.39Å; I4-N94 PolarHBondContact O-ND2 3.43Å; I4-N94 PolarHBondContact O-OD1 2.76Å; I4-N94 VanDerWaalsContact O-OD1 3.14Å; C63-N94 HydrophobicContact CB-CB 4.41Å; M92-N94 PolarHBondContact O-N 3.12Å
95	P	83.8	Confident	67.5	Low	72 Å²	72	91.4 Å²	91.4	47%	0.468	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-68.9	139	173.8	29.9	-33.8	0	0	0	109.2	Y97	P95-Y97 HydrophobicContact CG-CE1 4.34Å; P95-Y97 HydrophobicContact CG-CE2 4.12Å; P95-Y97 WeakPolarHBondContact CG-OH 3.32Å; P95-Y97 VanDerWaalsContact O-CD2 3.31Å; P95-Y97 WeakPolarHBondContact O-CD2 3.37Å; P95-Y97 WeakPolarHBondContact O-CE2 3.09Å
96	D	86.4	Confident	68.5	Low	34 Å²	34	88.1 Å²	88.1	18%	0.182	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-77.9	145.8	164.8	-63.6	-40.5	0	0	0	109.9	L60 T62 F277 R279	L60-D96 HydrophobicContact CD1-CB 3.96Å; T62-D96 WeakPolarHBondContact CA-OD1 3.44Å; T62-D96 VanDerWaalsContact CB-OD1 3.31Å; T62-D96 WeakPolarHBondContact CB-OD1 3.36Å; T62-D96 HydrophobicContact CG2-CB 4.36Å; T62-D96 VanDerWaalsContact CG2-OD1 3.29Å; T62-D96 WeakPolarHBondContact CG2-OD1 3.47Å; D96-F277 HydrophobicContact CB-CE2 4.49Å; D96-F277 HydrophobicContact CB-CZ 3.86Å; D96-R279 IonicContact OD2-CZ 2.79Å; D96-R279 IonicContact OD2-NH1 3.67Å; D96-R279 PolarHBondContact OD2-NH1 3.47Å; D96-R279 IonicContact OD2-NH2 3.39Å; D96-R279 PolarHBondContact OD2-NH2 2.81Å
97	Y	88.3	Confident	69	Low	58 Å²	58	92.5 Å²	92.5	23%	0.227	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.3	-171.2	-68.4	-79.8	0	0	0	110.6	M1 R2 W14 L60 Y61 P95	M1-Y97 HydrophobicContact CB-CD1 4.43Å; M1-Y97 HydrophobicContact CB-CD2 3.77Å; M1-Y97 HydrophobicContact CB-CE2 3.96Å; M1-Y97 HydrophobicContact CB-CG 4.01Å; M1-Y97 HydrophobicContact CG-CD1 4.13Å; M1-Y97 HydrophobicContact CG-CD2 4.01Å; M1-Y97 HydrophobicContact CG-CG 3.74Å; M1-Y97 HydrophobicContact SD-CG 4.29Å; R2-Y97 PolarHBondContact N-OH 3.25Å; R2-Y97 WeakPolarHBondContact O-CE2 3.36Å; R2-Y97 PolarHBondContact O-OH 2.76Å; W14-Y97 AromaticContact CH2-CD2 3.96Å; W14-Y97 HydrophobicContact CH2-CD2 3.96Å; W14-Y97 AromaticContact CH2-CE2 3.84Å; W14-Y97 HydrophobicContact CH2-CE2 3.84Å; W14-Y97 AromaticContact CZ3-CD2 3.96Å; W14-Y97 HydrophobicContact CZ3-CD2 3.96Å; W14-Y97 HydrophobicContact CZ3-CE2 4.3Å; L60-Y97 CarbonylContact C-O 3.53Å; L60-Y97 WeakPolarHBondContact CA-O 3.22Å; Y61-Y97 PolarHBondContact N-O 2.86Å; Y61-Y97 PolarHBondContact O-N 3.37Å; P95-Y97 HydrophobicContact CG-CE1 4.34Å; P95-Y97 HydrophobicContact CG-CE2 4.12Å; P95-Y97 WeakPolarHBondContact CG-OH 3.32Å; P95-Y97 VanDerWaalsContact O-CD2 3.31Å; P95-Y97 WeakPolarHBondContact O-CD2 3.37Å; P95-Y97 WeakPolarHBondContact O-CE2 3.09Å
98	Y	86.5	Confident	69.5	Low	25 Å²	25	91.3 Å²	91.3	10%	0.098	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.2	162.4	-164.9	-81.3	0	0	0	109.3	G59 L60 L214 I275	G59-Y98 WeakPolarHBondContact O-CA 3.47Å; L60-Y98 HydrophobicContact CB-CD2 4.31Å; Y98-L214 HydrophobicContact CD1-CD1 3.67Å; Y98-L214 HydrophobicContact CD1-CD2 4.33Å; Y98-L214 HydrophobicContact CD2-CD1 3.69Å; Y98-L214 HydrophobicContact CE1-CD1 3.76Å; Y98-L214 HydrophobicContact CE1-CD2 3.56Å; Y98-L214 HydrophobicContact CE1-CG 4.31Å; Y98-L214 HydrophobicContact CE2-CD1 3.77Å; Y98-L214 HydrophobicContact CE2-CD2 4.01Å; Y98-L214 HydrophobicContact CE2-CG 4.42Å; Y98-L214 HydrophobicContact CG-CD1 3.63Å; Y98-L214 WeakPolarHBondContact OH-CD2 3.39Å; Y98-I275 HydrophobicContact CD1-CD1 4.37Å; Y98-I275 HydrophobicContact CD1-CG2 4.04Å; Y98-I275 HydrophobicContact CG-CG2 4.48Å
99	I	88.4	Confident	69.8	Low	50 Å²	50	92 Å²	92	26%	0.256	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.3	177.3	-55.9	-57.6	0	0	0	108.4	M1 S58 G59 Y61 V101	M1-I99 HydrophobicContact CE-CG1 4.38Å; M1-I99 HydrophobicContact CG-CD1 3.92Å; M1-I99 HydrophobicContact CG-CG1 4.34Å; M1-I99 HydrophobicContact SD-CD1 3.94Å; M1-I99 HydrophobicContact SD-CG1 3.68Å; S58-I99 CarbonylContact C-O 3.57Å; S58-I99 WeakPolarHBondContact CA-O 3.35Å; S58-I99 WeakPolarHBondContact CB-O 3.39Å; G59-I99 PolarHBondContact N-O 2.79Å; G59-I99 PolarHBondContact O-N 2.79Å; Y61-I99 HydrophobicContact CD2-CB 4.14Å; Y61-I99 HydrophobicContact CD2-CG1 3.65Å; Y61-I99 HydrophobicContact CE2-CB 3.89Å; Y61-I99 HydrophobicContact CE2-CG1 3.82Å; I99-V101 HydrophobicContact CG2-CG2 4.22Å
100	S	83.8	Confident	69.7	Low	31 Å²	31	95.9 Å²	95.9	22%	0.217	50%	0.499	C	S	.	.			trans	-117	116.9	169.2	-172.9	0	0	0	0	108.3
101	V	85.6	Confident	69.4	Low	26 Å²	26	98.3 Å²	98.3	16%	0.158	51%	0.508	C	S	.	.			trans	-90.8	136.1	173.1	-176.2	0	0	0	0	108.3	A53 K54 L55 D57 S58 I99	A53-V101 HydrophobicContact CB-CG1 4.03Å; A53-V101 HydrophobicContact CB-CG2 4.08Å; K54-V101 WeakPolarHBondContact O-CB 3.38Å; K54-V101 WeakPolarHBondContact O-CG1 3.44Å; K54-V101 WeakPolarHBondContact O-CG2 3.27Å; L55-V101 HydrophobicContact CD2-CG1 4.5Å; L55-V101 VanDerWaalsContact CD2-O 3.3Å; L55-V101 WeakPolarHBondContact CD2-O 3.38Å; D57-V101 HydrophobicContact CB-CG2 4.08Å; S58-V101 PolarHBondContact OG-N 2.91Å; I99-V101 HydrophobicContact CG2-CG2 4.22Å
102	V	80	Confident	68.9	Low	55 Å²	55	95.2 Å²	95.2	33%	0.333	51%	0.508	S	S	.	.			trans	-129.7	144.1	-175	-56	0	0	0	0	108.5	V231	V102-V231 HydrophobicContact CB-CG1 3.86Å; V102-V231 HydrophobicContact CG1-CG1 3.5Å; V102-V231 VanDerWaalsContact CG1-CG1 3.5Å; V102-V231 HydrophobicContact CG2-CG1 4.48Å
103	E	76.2	Confident	67.7	Low	135 Å²	135	99.7 Å²	99.7	63%	0.631	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-74.6	135	174.5	-77.3	173.5	174.5	0	0	110.1	L55 Q105	L55-E103 HydrophobicContact CD1-CG 4.21Å; L55-E103 WeakPolarHBondContact CD1-OE1 3.47Å; L55-E103 HydrophobicContact CD2-CG 4.12Å; L55-E103 HydrophobicContact CG-CG 4.3Å; E103-Q105 PolarHBondContact O-N 2.79Å
104	P	69.8	Low	66.5	Low	123 Å²	123	97 Å²	97	80%	0.799	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-68.6	123.7	173.6	27	-30.5	0	0	0	109.5
105	Q	57.1	Low	64.4	Low	113 Å²	113	101.3 Å²	101.3	53%	0.528	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-65.1	134.1	173	-65.6	-67.8	-23.3	0	0	109.8	E103 K107	E103-Q105 PolarHBondContact O-N 2.79Å; Q105-K107 PolarHBondContact O-N 3.3Å
106	L	60.5	Low	62.4	Low	165 Å²	165	103.7 Å²	103.7	86%	0.864	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-61.2	128	172.3	-74.6	158	0	0	0	108.2	G108	L106-G108 PolarHBondContact O-N 2.79Å
107	K	54	Low	60.5	Low	225 Å²	225	104.8 Å²	104.8	98%	0.978	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	23.4	-175.9	-73.1	-177.5	171.5	-177.7	0	115.3	Q105	Q105-K107 PolarHBondContact O-N 3.3Å
108	G	54.4	Low	58.4	Low	73 Å²	73	105.6 Å²	105.6	75%	0.753	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-15.3	-171.4	0	0	0	0	0	116.2	L106	L106-G108 PolarHBondContact O-N 2.79Å
109	E	50.4	Low	56.7	Low	117 Å²	117	106.9 Å²	106.9	55%	0.547	59%	0.589	S	S	.	*	S	Bend	trans	-91.4	124.3	178.8	-98.2	174.5	167.3	0	0	111.1	Q111 F228	E109-Q111 PolarHBondContact O-N 2.03Å; E109-F228 WeakPolarHBondContact OE1-CE1 3.02Å
110	K	43.9	Very low	55	Low	207 Å²	207	110.3 Å²	110.3	90%	0.9	61%	0.608	S	S	*	*			trans	-45.8	114.9	177.1	-71.5	176.4	178	175	0	109	A112	K110-A112 PolarHBondContact O-N 2.88Å
111	Q	42.5	Very low	53.6	Low	156 Å²	156	115 Å²	115	73%	0.729	62%	0.624	S	S	*	*			trans	-62.1	87.2	177.9	-154.6	118.8	45.7	0	0	108.4	E109 N113 I114	E109-Q111 PolarHBondContact O-N 2.03Å; Q111-N113 PolarHBondContact O-N 2.82Å; Q111-I114 HydrophobicContact CG-CD1 3.69Å; Q111-I114 HydrophobicContact CG-CG1 4.07Å
112	A	42.1	Very low	52.2	Low	84 Å²	84	115.2 Å²	115.2	69%	0.694	62%	0.624	S	S	*	*			trans	-56	128.5	169.5	0	0	0	0	0	106.8	K110 I114	K110-A112 PolarHBondContact O-N 2.88Å; A112-I114 PolarHBondContact O-N 2.84Å
113	N	38.2	Very low	51.3	Low	159 Å²	159	114.5 Å²	114.5	85%	0.85	62%	0.618	S	S	*	*			trans	-27.9	94.7	-175.2	-65.7	-25.1	0	0	0	112.4	Q111 T115	Q111-N113 PolarHBondContact O-N 2.82Å; N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.28Å
114	I	43.1	Very low	50.9	Low	106 Å²	106	114.5 Å²	114.5	54%	0.544	62%	0.616	S	S	.	*			trans	-71.2	98.2	173.1	-65	178	0	0	0	104.8	Q111 A112 V116	Q111-I114 HydrophobicContact CG-CD1 3.69Å; Q111-I114 HydrophobicContact CG-CG1 4.07Å; A112-I114 PolarHBondContact O-N 2.84Å; I114-V116 VanDerWaalsContact C-N 3.25Å; I114-V116 HydrophobicContact CG2-CG2 4.12Å; I114-V116 PolarHBondContact O-N 2.74Å
115	T	38.1	Very low	51	Low	113 Å²	113	114.4 Å²	114.4	69%	0.693	61%	0.609	S	S	*	*			trans	-60.3	101.5	155	39.9	0	0	0	0	105.8	N113 V117	N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.28Å; T115-V117 PolarHBondContact O-N 2.95Å
116	V	41.9	Very low	52.3	Low	123 Å²	123	109.8 Å²	109.8	75%	0.745	59%	0.587	S	S	*	*			trans	-63.4	82.5	164.2	-179.5	0	0	0	0	105.3	I114 S118	I114-V116 VanDerWaalsContact C-N 3.25Å; I114-V116 HydrophobicContact CG2-CG2 4.12Å; I114-V116 PolarHBondContact O-N 2.74Å; V116-S118 PolarHBondContact O-N 2.67Å; V116-S118 VanDerWaalsContact O-N 3.1Å
117	V	44.6	Very low	53.7	Low	57 Å²	57	105.2 Å²	105.2	35%	0.345	57%	0.566	S	S	.	*			trans	-58	119.5	163	-179.7	0	0	0	0	103.7	T115 D119 Y159	T115-V117 PolarHBondContact O-N 2.95Å; V117-D119 VanDerWaalsContact C-N 3.33Å; V117-D119 PolarHBondContact O-N 2.63Å; V117-Y159 HydrophobicContact CB-CE2 4.19Å; V117-Y159 HydrophobicContact CG1-CE2 4.23Å; V117-Y159 HydrophobicContact CG2-CE2 4.21Å
118	S	44.6	Very low	55.5	Low	74 Å²	74	95.4 Å²	95.4	52%	0.517	52%	0.524	S	S	.	.			trans	-58	101.7	-179.2	53.6	0	0	0	0	108.1	V116 N120 F121	V116-S118 PolarHBondContact O-N 2.67Å; V116-S118 VanDerWaalsContact O-N 3.1Å; S118-N120 PolarHBondContact O-N 3.18Å; S118-F121 PolarHBondContact O-N 2.95Å; S118-F121 VanDerWaalsContact O-N 3.1Å
119	D	51.8	Low	57.4	Low	52 Å²	52	95.1 Å²	95.1	28%	0.278	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-22.6	176.1	-78.7	-21.2	0	0	0	111.9	V117 F121 L123 R274	V117-D119 VanDerWaalsContact C-N 3.33Å; V117-D119 PolarHBondContact O-N 2.63Å; D119-F121 VanDerWaalsContact C-N 3.29Å; D119-F121 PolarHBondContact O-N 3.34Å; D119-L123 HydrophobicContact CB-CD1 3.96Å; D119-L123 WeakPolarHBondContact O-CB 3.31Å; D119-L123 WeakPolarHBondContact O-CD1 3.26Å; D119-L123 WeakPolarHBondContact O-CG 3.14Å; D119-R274 IonicContact OD2-CZ 3.98Å; D119-R274 IonicContact OD2-NH1 2.79Å; D119-R274 PolarHBondContact OD2-NH1 3.28Å
120	N	53.2	Low	59.6	Low	123 Å²	123	90.4 Å²	90.4	66%	0.658	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.1	-179.8	-66.3	-17	0	0	0	115.6	S118	S118-N120 PolarHBondContact O-N 3.18Å
121	F	52.9	Low	62.1	Low	129 Å²	129	83.3 Å²	83.3	57%	0.566	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-51.7	-175.7	-161.5	-102.9	0	0	0	112.8	S118 D119 L123 T152	S118-F121 PolarHBondContact O-N 2.95Å; S118-F121 VanDerWaalsContact O-N 3.1Å; D119-F121 VanDerWaalsContact C-N 3.29Å; D119-F121 PolarHBondContact O-N 3.34Å; F121-L123 VanDerWaalsContact C-N 3.31Å; F121-L123 PolarHBondContact O-N 2.91Å; F121-T152 HydrophobicContact CD1-CG2 4.47Å; F121-T152 HydrophobicContact CE1-CG2 3.58Å; F121-T152 WeakPolarHBondContact CE1-OG1 3.3Å; F121-T152 HydrophobicContact CE2-CG2 4.4Å; F121-T152 HydrophobicContact CZ-CG2 3.55Å
122	I	56.7	Low	64.7	Low	30 Å²	30	77.5 Å²	77.5	15%	0.154	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.4	-176.8	-57.7	172.4	0	0	0	111.5	V154 Y159	I122-V154 HydrophobicContact CD1-CG1 4.25Å; I122-V154 HydrophobicContact CG1-CG1 4.23Å; I122-V154 HydrophobicContact CG2-CG1 3.76Å; I122-V154 HydrophobicContact CG2-CG2 4.41Å; I122-Y159 HydrophobicContact CD1-CD2 3.77Å; I122-Y159 HydrophobicContact CD1-CE2 4.2Å
123	L	61.8	Low	67.3	Low	41 Å²	41	76 Å²	76	22%	0.215	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-14.2	-171.2	-61.8	176.9	0	0	0	113.8	D119 F121 R274	D119-L123 HydrophobicContact CB-CD1 3.96Å; D119-L123 WeakPolarHBondContact O-CB 3.31Å; D119-L123 WeakPolarHBondContact O-CD1 3.26Å; D119-L123 WeakPolarHBondContact O-CG 3.14Å; F121-L123 VanDerWaalsContact C-N 3.31Å; F121-L123 PolarHBondContact O-N 2.91Å; L123-R274 HydrophobicContact CD1-CG 4.16Å
124	K	67	Low	70.1	Confident	134 Å²	134	77.5 Å²	77.5	58%	0.583	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	126.8	-173.6	-159.9	175.8	-178.6	-176	0	111.1	R126 S151	K124-R126 VanDerWaalsContact C-N 3.29Å; K124-R126 PolarHBondContact O-N 2.69Å; K124-S151 PolarHBondContact O-OG 2.98Å
125	N	73	Confident	72.6	Confident	122 Å²	122	76.3 Å²	76.3	65%	0.652	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	28.1	175	-57.6	-11.3	0	0	0	115.2
126	R	83.6	Confident	75.3	Confident	16 Å²	16	71.3 Å²	71.3	6%	0.06	38%	0.383	C	S	.	.			trans	-80.5	149.8	166.7	51.1	162.9	-165.2	-165.6	5.7	111.3	K124 K149 F150 E215 R274 M276	K124-R126 VanDerWaalsContact C-N 3.29Å; K124-R126 PolarHBondContact O-N 2.69Å; R126-K149 CarbonylContact C-O 3.49Å; R126-K149 WeakPolarHBondContact CA-O 3.26Å; R126-K149 VanDerWaalsContact CB-O 3.32Å; R126-K149 WeakPolarHBondContact CB-O 3.28Å; R126-F150 HydrophobicContact CB-CD1 3.85Å; R126-F150 HydrophobicContact CB-CE1 4.19Å; R126-E215 WeakPolarHBondContact CD-OE2 3.47Å; R126-E215 IonicContact CZ-OE1 2.69Å; R126-E215 IonicContact CZ-OE2 3.82Å; R126-E215 IonicContact NE-OE1 3.49Å; R126-E215 IonicContact NE-OE2 3.18Å; R126-E215 PolarHBondContact NE-OE2 3.08Å; R126-E215 IonicContact NH1-OE1 3.7Å; R126-E215 PolarHBondContact NH1-OE1 3.26Å; R126-E215 IonicContact NH1-OE2 2.67Å; R126-E215 PolarHBondContact NH1-OE2 3.15Å; R126-E215 IonicContact NH2-OE2 3.2Å; R126-R274 PolarHBondContact NH2-O 3.01Å; R126-M276 HydrophobicContact CB-SD 4.28Å; R126-M276 HydrophobicContact CG-SD 3.52Å; R126-M276 VanDerWaalsContact CG-SD 3.52Å; R126-M276 PolarHBondContact NE-SD 2.9Å; R126-M276 VanDerWaalsContact NE-SD 3.43Å; R126-M276 WeakPolarHBondContact O-CE 3.46Å; R126-M276 VanDerWaalsContact O-SD 3.38Å
127	T	89.5	Confident	77.9	Confident	69 Å²	69	71.4 Å²	71.4	42%	0.423	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.2	177.5	64.5	0	0	0	0	110.2	A148 K149	T127-A148 WeakPolarHBondContact O-CA 3.21Å; T127-K149 PolarHBondContact N-O 3.44Å; T127-K149 PolarHBondContact O-N 2.98Å
128	L	91.8	Very high	80.2	Confident	19 Å²	19	74.4 Å²	74.4	10%	0.099	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.7	174.9	-165.5	68	0	0	0	109.4	C146 Y147 A148 L163 C213 E215 M276 F277	L128-C146 VanDerWaalsContact CD1-SG 3.54Å; L128-Y147 WeakPolarHBondContact CA-O 3.34Å; L128-A148 HydrophobicContact CD1-CB 3.54Å; L128-L163 HydrophobicContact CD1-CD2 3.91Å; L128-C213 WeakPolarHBondContact CD2-O 3.38Å; L128-E215 HydrophobicContact CD2-CB 4.17Å; L128-M276 HydrophobicContact CB-CB 4.24Å; L128-M276 HydrophobicContact CD2-CB 4.32Å; L128-M276 WeakPolarHBondContact CD2-O 3.46Å; L128-F277 VanDerWaalsContact CD2-C 3.48Å
129	T	94.6	Very high	82.5	Confident	67 Å²	67	72 Å²	72	41%	0.411	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	131.1	-175.6	-50.5	0	0	0	0	110.2	T131 C146 Y147	T129-T131 HydrophobicContact CG2-CG2 4.14Å; T129-C146 CarbonylContact O-C 3.56Å; T129-C146 WeakPolarHBondContact O-CA 3.34Å; T129-Y147 PolarHBondContact N-O 3.42Å; T129-Y147 PolarHBondContact O-N 3.31Å
130	V	96.5	Very high	84.5	Confident	18 Å²	18	70.7 Å²	70.7	11%	0.109	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.9	173.7	-179.8	0	0	0	0	109.2	K145 C146 W165 C213 G278 I280	V130-K145 CarbonylContact C-O 3.53Å; V130-K145 WeakPolarHBondContact CA-O 3.12Å; V130-C146 HydrophobicContact CG2-CB 4.2Å; V130-W165 HydrophobicContact CG1-CH2 3.72Å; V130-W165 HydrophobicContact CG1-CZ3 3.87Å; V130-W165 HydrophobicContact CG2-CH2 4.37Å; V130-W165 HydrophobicContact CG2-CZ3 4.45Å; V130-C213 HydrophobicContact CG2-CB 3.52Å; V130-G278 VanDerWaalsContact CG2-C 3.47Å; V130-I280 HydrophobicContact CB-CB 4.43Å; V130-I280 HydrophobicContact CB-CG2 4.5Å; V130-I280 HydrophobicContact CG1-CB 3.78Å; V130-I280 HydrophobicContact CG1-CG2 3.42Å; V130-I280 VanDerWaalsContact CG1-CG2 3.42Å
131	T	97.6	Very high	86.5	Confident	57 Å²	57	68.5 Å²	68.5	35%	0.35	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.1	-178	63.6	0	0	0	0	110.2	T129 K145 Y147	T129-T131 HydrophobicContact CG2-CG2 4.14Å; T131-K145 PolarHBondContact N-O 2.94Å; T131-K145 PolarHBondContact O-N 2.78Å; T131-K145 PolarHBondContact OG1-O 2.9Å; T131-Y147 HydrophobicContact CG2-CE2 4.46Å
132	G	96.8	Very high	88.5	Confident	35 Å²	35	62.4 Å²	62.4	36%	0.361	33%	0.325	S	S	.	.	S	Bend	trans	163.2	179.3	179.9	0	0	0	0	0	110.6
133	P	96.5	Very high	90.4	Very high	53 Å²	53	64.3 Å²	64.3	34%	0.344	33%	0.333	S	S	.	.			trans	-66.7	138.4	172.1	30.4	-34.9	0	0	0	110.2	V136 L142 E143	P133-V136 HydrophobicContact CB-CG2 3.81Å; P133-V136 HydrophobicContact CG-CG2 3.55Å; P133-L142 HydrophobicContact CG-CD1 3.59Å; P133-E143 WeakPolarHBondContact CD-O 3.39Å
134	R	96.1	Very high	92.1	Very high	190 Å²	190	62.4 Å²	62.4	72%	0.717	32%	0.323	S	S	*	.	S	Bend	trans	-87.3	-22.8	171.5	-67.8	-175.1	177.5	-176.4	-1.5	112.7	I280 V282 E283	R134-I280 HydrophobicContact CG-CD1 4.47Å; R134-I280 HydrophobicContact CG-CG1 4.49Å; R134-V282 CarbonylContact O-C 3.58Å; R134-V282 WeakPolarHBondContact O-CA 3.32Å; R134-E283 PolarHBondContact O-N 2.82Å
135	I	95.8	Very high	93.6	Very high	80 Å²	80	58.4 Å²	58.4	41%	0.41	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.7	178.9	-63.2	173.7	0	0	0	107.1	E283 I285	I135-E283 WeakPolarHBondContact CA-O 3.5Å; I135-I285 HydrophobicContact CG2-CD1 3.35Å; I135-I285 HydrophobicContact CG2-CG1 4.02Å
136	V	95.2	Very high	94.8	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.2	-176.9	-179	0	0	0	0	107.9	P133 S140 L142 A203 V282 E283 I284 I285	P133-V136 HydrophobicContact CB-CG2 3.81Å; P133-V136 HydrophobicContact CG-CG2 3.55Å; V136-S140 WeakPolarHBondContact CG1-OG 3.48Å; V136-L142 HydrophobicContact CG1-CB 4.41Å; V136-L142 HydrophobicContact CG2-CD1 3.86Å; V136-A203 HydrophobicContact CG1-CB 3.99Å; V136-V282 HydrophobicContact CG2-CG1 4Å; V136-E283 PolarHBondContact N-O 3.45Å; V136-I284 HydrophobicContact CB-CD1 3.63Å; V136-I284 HydrophobicContact CG1-CD1 4.1Å; V136-I284 HydrophobicContact CG2-CD1 4.28Å; V136-I284 CarbonylContact O-C 3.57Å; V136-I284 VanDerWaalsContact O-CA 3.28Å; V136-I284 WeakPolarHBondContact O-CA 3Å; V136-I285 PolarHBondContact O-N 3.36Å
137	Y	95.4	Very high	95.4	Very high	125 Å²	125	54.1 Å²	54.1	49%	0.49	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	145	177.7	-65.6	-65.7	0	0	0	111.2	G139 S140 I285 I287	Y137-G139 PolarHBondContact O-N 2.88Å; Y137-S140 PolarHBondContact N-OG 2.85Å; Y137-S140 WeakPolarHBondContact O-CB 3.32Å; Y137-S140 PolarHBondContact O-N 2.97Å; Y137-S140 PolarHBondContact O-OG 3.21Å; Y137-I285 WeakPolarHBondContact CA-O 3.46Å; Y137-I285 HydrophobicContact CD1-CB 4.4Å; Y137-I287 HydrophobicContact CD1-CD1 3.6Å; Y137-I287 HydrophobicContact CD1-CG1 3.78Å; Y137-I287 HydrophobicContact CE1-CD1 3.53Å; Y137-I287 HydrophobicContact CE1-CG1 3.82Å; Y137-I287 HydrophobicContact CG-CD1 4.41Å
138	Y	94.2	Very high	95.6	Very high	120 Å²	120	51 Å²	51	47%	0.471	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	132	173.6	-178.6	-89.5	0	0	0	111.2	S140 E205 I284 I285 D286	Y138-S140 PolarHBondContact O-N 3.08Å; Y138-E205 HydrophobicContact CD2-CG 4.25Å; Y138-I284 HydrophobicContact CD2-CG2 4.48Å; Y138-I285 PolarHBondContact N-O 2.87Å; Y138-D286 HydrophobicContact CG-CB 4.25Å
139	G	92	Very high	95.6	Very high	23 Å²	23	55.2 Å²	55.2	24%	0.237	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	8.3	-177.3	0	0	0	0	0	114.9	Y137 A203	Y137-G139 PolarHBondContact O-N 2.88Å; G139-A203 WeakPolarHBondContact CA-O 3.39Å; G139-A203 PolarHBondContact N-O 2.85Å
140	S	94.2	Very high	95.3	Very high	24 Å²	24	52.7 Å²	52.7	17%	0.168	26%	0.262	C	S	.	.	S	Bend	trans	-91.5	155.6	169.3	71.9	0	0	0	0	111	V136 Y137 Y138 A203	V136-S140 WeakPolarHBondContact CG1-OG 3.48Å; Y137-S140 PolarHBondContact N-OG 2.85Å; Y137-S140 WeakPolarHBondContact O-CB 3.32Å; Y137-S140 PolarHBondContact O-N 2.97Å; Y137-S140 PolarHBondContact O-OG 3.21Å; Y138-S140 PolarHBondContact O-N 3.08Å; S140-A203 WeakPolarHBondContact O-CB 3.2Å; S140-A203 PolarHBondContact O-N 3.21Å
141	P	95	Very high	94.7	Very high	78 Å²	78	54 Å²	54	51%	0.506	27%	0.272	S	S	.	.			trans	-71.1	139.8	177.6	28	-34.1	0	0	0	111.5	F199 I200	P141-F199 HydrophobicContact CB-CE2 3.72Å; P141-F199 HydrophobicContact CB-CZ 3.72Å; P141-I200 CarbonylContact C-O 3.58Å; P141-I200 VanDerWaalsContact CA-O 3.31Å; P141-I200 WeakPolarHBondContact CA-O 3.29Å
142	L	95.4	Very high	93.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.4	175.4	168.2	53	0	0	0	110	P133 V136 L144 F199 I200 A203 V282 I284	P133-L142 HydrophobicContact CG-CD1 3.59Å; V136-L142 HydrophobicContact CG1-CB 4.41Å; V136-L142 HydrophobicContact CG2-CD1 3.86Å; L142-L144 HydrophobicContact CD1-CD2 3.61Å; L142-L144 HydrophobicContact CD1-CG 3.91Å; L142-L144 HydrophobicContact CG-CD2 4.47Å; L142-L144 HydrophobicContact CG-CG 4.25Å; L142-F199 CarbonylContact O-C 3.53Å; L142-F199 WeakPolarHBondContact O-CA 3.16Å; L142-I200 HydrophobicContact CB-CB 4.2Å; L142-I200 HydrophobicContact CD2-CD1 4.12Å; L142-I200 PolarHBondContact N-O 2.54Å; L142-I200 PolarHBondContact O-N 2.83Å; L142-A203 HydrophobicContact CB-CB 4.34Å; L142-V282 HydrophobicContact CD1-CG1 4.46Å; L142-V282 HydrophobicContact CD2-CG1 4Å; L142-I284 HydrophobicContact CD2-CD1 4.49Å
143	E	97	Very high	92.9	Very high	70 Å²	70	54.6 Å²	54.6	33%	0.327	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.9	171.6	-167.3	-172.2	-167.1	0	0	110.3	P133 K145 R197 L198 F199	P133-E143 WeakPolarHBondContact CD-O 3.39Å; E143-K145 HydrophobicContact CG-CG 4.48Å; E143-K145 WeakPolarHBondContact OE1-CE 3.37Å; E143-K145 IonicContact OE1-NZ 3.63Å; E143-K145 WeakPolarHBondContact OE2-CE 3.45Å; E143-K145 IonicContact OE2-NZ 3.15Å; E143-K145 PolarHBondContact OE2-NZ 2.89Å; E143-K145 VanDerWaalsContact OE2-NZ 3.15Å; E143-R197 WeakPolarHBondContact OE1-CD 3.31Å; E143-R197 IonicContact OE1-NH1 3.61Å; E143-L198 CarbonylContact C-O 3.46Å; E143-L198 WeakPolarHBondContact CA-O 3.44Å; E143-F199 HydrophobicContact CB-CD2 4.15Å; E143-F199 HydrophobicContact CG-CD2 4.43Å
144	L	97.9	Very high	91.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141	170.2	-57.5	-176.2	0	0	0	109.8	L142 W165 R197 L198 W211 I280 V282	L142-L144 HydrophobicContact CD1-CD2 3.61Å; L142-L144 HydrophobicContact CD1-CG 3.91Å; L142-L144 HydrophobicContact CG-CD2 4.47Å; L142-L144 HydrophobicContact CG-CG 4.25Å; L144-W165 HydrophobicContact CB-CH2 3.61Å; L144-W165 HydrophobicContact CB-CZ2 4.29Å; L144-W165 HydrophobicContact CB-CZ3 3.99Å; L144-W165 HydrophobicContact CD1-CZ3 4.12Å; L144-R197 CarbonylContact O-C 3.54Å; L144-R197 WeakPolarHBondContact O-CA 3.19Å; L144-L198 HydrophobicContact CB-CB 4.34Å; L144-L198 HydrophobicContact CB-CD2 4.39Å; L144-L198 HydrophobicContact CD1-CD2 4.06Å; L144-L198 HydrophobicContact CG-CD2 4.43Å; L144-L198 PolarHBondContact N-O 3.04Å; L144-L198 PolarHBondContact O-N 3.32Å; L144-W211 HydrophobicContact CD1-CB 3.58Å; L144-W211 HydrophobicContact CD1-CD2 3.77Å; L144-W211 HydrophobicContact CD1-CE3 4.3Å; L144-W211 HydrophobicContact CD1-CG 3.42Å; L144-W211 VanDerWaalsContact CD1-CG 3.42Å; L144-I280 HydrophobicContact CD1-CG2 3.84Å; L144-I280 HydrophobicContact CD2-CD1 4.33Å; L144-I280 HydrophobicContact CD2-CG2 4.1Å; L144-V282 HydrophobicContact CD1-CG2 4.24Å; L144-V282 HydrophobicContact CD2-CG2 4.09Å
145	K	98.1	Very high	90.6	Very high	51 Å²	51	48.2 Å²	48.2	22%	0.222	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.3	-179.7	-54.6	-179	-177.7	161.4	0	109.7	V130 T131 E143 Y147 S196 R197	V130-K145 CarbonylContact C-O 3.53Å; V130-K145 WeakPolarHBondContact CA-O 3.12Å; T131-K145 PolarHBondContact N-O 2.94Å; T131-K145 PolarHBondContact O-N 2.78Å; T131-K145 PolarHBondContact OG1-O 2.9Å; E143-K145 HydrophobicContact CG-CG 4.48Å; E143-K145 WeakPolarHBondContact OE1-CE 3.37Å; E143-K145 IonicContact OE1-NZ 3.63Å; E143-K145 WeakPolarHBondContact OE2-CE 3.45Å; E143-K145 IonicContact OE2-NZ 3.15Å; E143-K145 PolarHBondContact OE2-NZ 2.89Å; E143-K145 VanDerWaalsContact OE2-NZ 3.15Å; K145-Y147 HydrophobicContact CB-CE2 3.76Å; K145-Y147 VanDerWaalsContact CD-OH 3.27Å; K145-Y147 WeakPolarHBondContact CD-OH 3.38Å; K145-S196 CarbonylContact C-O 3.53Å; K145-S196 WeakPolarHBondContact CA-O 3.41Å; K145-R197 HydrophobicContact CG-CG 4.23Å
146	C	97.8	Very high	89	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.7	176.8	179.2	0	0	0	0	109.4	L128 T129 V130 W165 E195 S196 C213	L128-C146 VanDerWaalsContact CD1-SG 3.54Å; T129-C146 CarbonylContact O-C 3.56Å; T129-C146 WeakPolarHBondContact O-CA 3.34Å; V130-C146 HydrophobicContact CG2-CB 4.2Å; C146-W165 HydrophobicContact CB-CH2 3.83Å; C146-W165 HydrophobicContact CB-CZ2 3.46Å; C146-W165 VanDerWaalsContact CB-CZ2 3.46Å; C146-E195 CarbonylContact O-C 3.56Å; C146-E195 VanDerWaalsContact O-CA 3.31Å; C146-E195 WeakPolarHBondContact O-CA 3.37Å; C146-S196 PolarHBondContact N-O 3.42Å; C146-S196 PolarHBondContact O-N 3.39Å; C146-C213 HydrophobicContact CB-CB 3.54Å; C146-C213 WeakPolarHBondContact CB-SG 3.44Å; C146-C213 WeakPolarHBondContact SG-CB 3.19Å; C146-C213 CovalentContact SG-SG 2.03Å; C146-C213 PolarHBondContact SG-SG 2.99Å
147	Y	96.4	Very high	87.6	Confident	48 Å²	48	50 Å²	50	19%	0.188	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.8	-178.3	-61.4	-77.6	0	0	0	109.6	L128 T129 T131 K145 L189 T193 L194 E195	L128-Y147 WeakPolarHBondContact CA-O 3.34Å; T129-Y147 PolarHBondContact N-O 3.42Å; T129-Y147 PolarHBondContact O-N 3.31Å; T131-Y147 HydrophobicContact CG2-CE2 4.46Å; K145-Y147 HydrophobicContact CB-CE2 3.76Å; K145-Y147 VanDerWaalsContact CD-OH 3.27Å; K145-Y147 WeakPolarHBondContact CD-OH 3.38Å; Y147-L189 HydrophobicContact CD1-CD1 4.11Å; Y147-L189 HydrophobicContact CE1-CD1 3.78Å; Y147-T193 HydrophobicContact CD1-CG2 4.33Å; Y147-L194 WeakPolarHBondContact CA-O 3.26Å; Y147-E195 HydrophobicContact CD1-CB 4.08Å; Y147-E195 HydrophobicContact CD1-CG 4.02Å; Y147-E195 HydrophobicContact CE1-CB 3.96Å; Y147-E195 HydrophobicContact CE1-CG 3.51Å; Y147-E195 WeakPolarHBondContact CE1-OE1 3.41Å; Y147-E195 PolarHBondContact OH-OE1 3.28Å
148	A	93.1	Very high	86.4	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.5	166.7	0	0	0	0	0	108.7	T127 L128 F150 L163 T193 L194	T127-A148 WeakPolarHBondContact O-CA 3.21Å; L128-A148 HydrophobicContact CD1-CB 3.54Å; A148-F150 HydrophobicContact CB-CE2 3.9Å; A148-F150 HydrophobicContact CB-CZ 3.87Å; A148-L163 HydrophobicContact CB-CD1 4.07Å; A148-L163 HydrophobicContact CB-CD2 3.93Å; A148-T193 WeakPolarHBondContact O-CA 3.49Å; A148-L194 HydrophobicContact CB-CB 4.34Å; A148-L194 PolarHBondContact N-O 3.11Å; A148-L194 PolarHBondContact O-N 3.24Å
149	K	92.1	Very high	85.4	Confident	109 Å²	109	42.7 Å²	42.7	47%	0.474	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.9	177.3	-60.4	-177.5	177.5	-177.1	0	109.8	R126 T127 K192 T193	R126-K149 CarbonylContact C-O 3.49Å; R126-K149 WeakPolarHBondContact CA-O 3.26Å; R126-K149 VanDerWaalsContact CB-O 3.32Å; R126-K149 WeakPolarHBondContact CB-O 3.28Å; T127-K149 PolarHBondContact N-O 3.44Å; T127-K149 PolarHBondContact O-N 2.98Å; K149-K192 CarbonylContact C-O 3.52Å; K149-K192 WeakPolarHBondContact CA-O 3.31Å; K149-T193 HydrophobicContact CG-CG2 4.02Å
150	F	87.7	Confident	84.8	Confident	13 Å²	13	45.4 Å²	45.4	6%	0.057	25%	0.251	C	S	.	.			trans	-113.4	151.9	-178.9	-57.7	-80.5	0	0	0	110.6	R126 A148 T152 V154 I161 W188 K192 L194 E215	R126-F150 HydrophobicContact CB-CD1 3.85Å; R126-F150 HydrophobicContact CB-CE1 4.19Å; A148-F150 HydrophobicContact CB-CE2 3.9Å; A148-F150 HydrophobicContact CB-CZ 3.87Å; F150-T152 VanDerWaalsContact C-N 3.3Å; F150-T152 WeakPolarHBondContact CB-O 3.38Å; F150-V154 HydrophobicContact CB-CG2 3.53Å; F150-V154 HydrophobicContact CD1-CG2 3.72Å; F150-V154 HydrophobicContact CD2-CG2 4.03Å; F150-V154 HydrophobicContact CE1-CG2 4.49Å; F150-V154 HydrophobicContact CG-CB 4.49Å; F150-V154 HydrophobicContact CG-CG2 3.47Å; F150-V154 VanDerWaalsContact CG-CG2 3.47Å; F150-I161 HydrophobicContact CE1-CD1 3.86Å; F150-I161 HydrophobicContact CE2-CD1 3.79Å; F150-I161 HydrophobicContact CZ-CD1 3.42Å; F150-I161 VanDerWaalsContact CZ-CD1 3.42Å; F150-I161 HydrophobicContact CZ-CG1 4.48Å; F150-I161 HydrophobicContact CZ-CG2 4.1Å; F150-W188 HydrophobicContact CD2-CH2 4.15Å; F150-W188 HydrophobicContact CD2-CZ3 4.05Å; F150-W188 AromaticContact CE2-CH2 3.83Å; F150-W188 HydrophobicContact CE2-CH2 3.83Å; F150-W188 HydrophobicContact CE2-CZ3 4.02Å; F150-K192 WeakPolarHBondContact CD2-O 3.41Å; F150-K192 PolarHBondContact N-O 2.95Å; F150-L194 HydrophobicContact CE2-CB 4.49Å; F150-E215 WeakPolarHBondContact CE1-OE1 3.26Å; F150-E215 WeakPolarHBondContact CZ-OE1 3.42Å
151	S	83.9	Confident	84.4	Confident	46 Å²	46	44.7 Å²	44.7	32%	0.322	25%	0.245	S	C	.	.	S	Bend	trans	-71.9	-29.8	176.4	54.3	0	0	0	0	111.9	K124 K192	K124-S151 PolarHBondContact O-OG 2.98Å; S151-K192 PolarHBondContact O-NZ 3.11Å
152	T	80.1	Confident	84.1	Confident	32 Å²	32	43.1 Å²	43.1	20%	0.196	23%	0.232	C	C	.	.	S	Bend	trans	-126.3	165.5	-175.8	62.2	0	0	0	0	111.1	F121 F150 V154	F121-T152 HydrophobicContact CD1-CG2 4.47Å; F121-T152 HydrophobicContact CE1-CG2 3.58Å; F121-T152 WeakPolarHBondContact CE1-OG1 3.3Å; F121-T152 HydrophobicContact CE2-CG2 4.4Å; F121-T152 HydrophobicContact CZ-CG2 3.55Å; F150-T152 VanDerWaalsContact C-N 3.3Å; F150-T152 WeakPolarHBondContact CB-O 3.38Å; T152-V154 WeakPolarHBondContact O-CG2 3.17Å; T152-V154 PolarHBondContact O-N 3.08Å
153	D	78	Confident	83.9	Confident	73 Å²	73	43.2 Å²	43.2	39%	0.39	23%	0.233	S	C	.	.			trans	-63.7	125	167.4	-171.1	-16	0	0	0	108.6	Q155 P191	D153-Q155 WeakPolarHBondContact OD1-CB 3.46Å; D153-Q155 PolarHBondContact OD1-N 2.98Å; D153-P191 HydrophobicContact CB-CB 4.24Å; D153-P191 WeakPolarHBondContact OD2-CB 3.44Å
154	V	75.6	Confident	83.7	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.222	C	C	.	.			trans	-108.1	-8.6	-178.4	-167.3	0	0	0	0	111.4	I122 F150 T152 S156 S157 I161	I122-V154 HydrophobicContact CD1-CG1 4.25Å; I122-V154 HydrophobicContact CG1-CG1 4.23Å; I122-V154 HydrophobicContact CG2-CG1 3.76Å; I122-V154 HydrophobicContact CG2-CG2 4.41Å; F150-V154 HydrophobicContact CB-CG2 3.53Å; F150-V154 HydrophobicContact CD1-CG2 3.72Å; F150-V154 HydrophobicContact CD2-CG2 4.03Å; F150-V154 HydrophobicContact CE1-CG2 4.49Å; F150-V154 HydrophobicContact CG-CB 4.49Å; F150-V154 HydrophobicContact CG-CG2 3.47Å; F150-V154 VanDerWaalsContact CG-CG2 3.47Å; T152-V154 WeakPolarHBondContact O-CG2 3.17Å; T152-V154 PolarHBondContact O-N 3.08Å; V154-S156 PolarHBondContact O-N 2.86Å; V154-S157 WeakPolarHBondContact CG1-OG 3.45Å; V154-S157 WeakPolarHBondContact O-CB 3.4Å; V154-S157 PolarHBondContact O-N 2.88Å; V154-S157 PolarHBondContact O-OG 3.43Å; V154-I161 HydrophobicContact CB-CD1 3.91Å; V154-I161 HydrophobicContact CG1-CD1 3.4Å; V154-I161 VanDerWaalsContact CG1-CD1 3.4Å; V154-I161 HydrophobicContact CG1-CG1 4.37Å
155	Q	67.7	Low	83.5	Confident	107 Å²	107	40.8 Å²	40.8	50%	0.5	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-65.7	-26.8	-179.6	-62.2	-167.6	15.3	0	0	111.8	D153 S157 W188	D153-Q155 WeakPolarHBondContact OD1-CB 3.46Å; D153-Q155 PolarHBondContact OD1-N 2.98Å; Q155-S157 VanDerWaalsContact C-N 3.29Å; Q155-S157 PolarHBondContact O-N 2.99Å; Q155-W188 HydrophobicContact CG-CD2 4.38Å; Q155-W188 HydrophobicContact CG-CZ2 4.38Å
156	S	61.9	Low	83.1	Confident	103 Å²	103	39.4 Å²	39.4	72%	0.72	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-82.5	1.6	175.5	65.9	0	0	0	0	114.5	V154 G158	V154-S156 PolarHBondContact O-N 2.86Å; S156-G158 VanDerWaalsContact C-N 3.29Å; S156-G158 PolarHBondContact O-N 3.34Å
157	S	67.2	Low	82.8	Confident	24 Å²	24	40.1 Å²	40.1	17%	0.168	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-79.7	-6.7	-170.3	69.4	0	0	0	0	115	V154 Q155 Y159	V154-S157 WeakPolarHBondContact CG1-OG 3.45Å; V154-S157 WeakPolarHBondContact O-CB 3.4Å; V154-S157 PolarHBondContact O-N 2.88Å; V154-S157 PolarHBondContact O-OG 3.43Å; Q155-S157 VanDerWaalsContact C-N 3.29Å; Q155-S157 PolarHBondContact O-N 2.99Å; S157-Y159 WeakPolarHBondContact O-CD2 3.25Å; S157-Y159 PolarHBondContact O-N 3.3Å; S157-Y159 PolarHBondContact OG-N 3.25Å
158	G	68.5	Low	82.3	Confident	43 Å²	43	42 Å²	42	44%	0.443	23%	0.229	S	C	.	.	S	Bend	trans	72.6	7	-172.7	0	0	0	0	0	113.7	S156 T220	S156-G158 VanDerWaalsContact C-N 3.29Å; S156-G158 PolarHBondContact O-N 3.34Å; G158-T220 VanDerWaalsContact O-CB 3.32Å; G158-T220 WeakPolarHBondContact O-CB 3.5Å; G158-T220 PolarHBondContact O-N 2.87Å; G158-T220 PolarHBondContact O-OG1 2.95Å
159	Y	72.9	Confident	81.7	Confident	48 Å²	48	43.6 Å²	43.6	19%	0.188	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.4	174.5	-62.1	-82.2	0	0	0	111.5	V117 I122 S157 Y217 K218 P219 I232	V117-Y159 HydrophobicContact CB-CE2 4.19Å; V117-Y159 HydrophobicContact CG1-CE2 4.23Å; V117-Y159 HydrophobicContact CG2-CE2 4.21Å; I122-Y159 HydrophobicContact CD1-CD2 3.77Å; I122-Y159 HydrophobicContact CD1-CE2 4.2Å; S157-Y159 WeakPolarHBondContact O-CD2 3.25Å; S157-Y159 PolarHBondContact O-N 3.3Å; S157-Y159 PolarHBondContact OG-N 3.25Å; Y159-Y217 HydrophobicContact CD1-CD2 4.15Å; Y159-Y217 HydrophobicContact CE1-CD2 4.47Å; Y159-K218 CarbonylContact C-O 3.55Å; Y159-K218 WeakPolarHBondContact CA-O 3.49Å; Y159-P219 HydrophobicContact CD1-CB 4.48Å; Y159-P219 HydrophobicContact CE1-CB 4.47Å; Y159-I232 HydrophobicContact CE1-CD1 4.32Å
160	E	80.2	Confident	81.4	Confident	80 Å²	80	43.9 Å²	43.9	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	118.6	167.5	-170.8	-176.8	140.6	0	0	108.9	Y217 K218	E160-Y217 WeakPolarHBondContact O-CA 3.42Å; E160-K218 HydrophobicContact CB-CG 3.88Å; E160-K218 PolarHBondContact N-O 3.43Å; E160-K218 PolarHBondContact O-N 3.22Å; E160-K218 WeakPolarHBondContact OE1-CE 2.94Å; E160-K218 IonicContact OE1-NZ 3.65Å; E160-K218 PolarHBondContact OE1-NZ 2.77Å; E160-K218 WeakPolarHBondContact OE2-CE 3.5Å; E160-K218 IonicContact OE2-NZ 3.25Å; E160-K218 PolarHBondContact OE2-NZ 3.37Å
161	I	85.8	Confident	81.4	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.4	176.2	-58.5	164.6	0	0	0	109.3	F150 V154 W188 L194 E215 R216	F150-I161 HydrophobicContact CE1-CD1 3.86Å; F150-I161 HydrophobicContact CE2-CD1 3.79Å; F150-I161 HydrophobicContact CZ-CD1 3.42Å; F150-I161 VanDerWaalsContact CZ-CD1 3.42Å; F150-I161 HydrophobicContact CZ-CG1 4.48Å; F150-I161 HydrophobicContact CZ-CG2 4.1Å; V154-I161 HydrophobicContact CB-CD1 3.91Å; V154-I161 HydrophobicContact CG1-CD1 3.4Å; V154-I161 VanDerWaalsContact CG1-CD1 3.4Å; V154-I161 HydrophobicContact CG1-CG1 4.37Å; I161-W188 HydrophobicContact CB-CZ2 4.41Å; I161-W188 HydrophobicContact CD1-CH2 3.84Å; I161-W188 HydrophobicContact CD1-CZ2 4.18Å; I161-L194 HydrophobicContact CB-CD2 3.96Å; I161-L194 HydrophobicContact CG2-CD2 3.67Å; I161-L194 WeakPolarHBondContact O-CD2 3.49Å; I161-E215 HydrophobicContact CG2-CG 3.96Å; I161-R216 CarbonylContact C-O 3.6Å; I161-R216 WeakPolarHBondContact CA-O 3.47Å
162	L	88.3	Confident	81.7	Confident	45 Å²	45	49.8 Å²	49.8	24%	0.236	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.1	-179.5	-66.3	169.7	0	0	0	110.1	R216 K218	L162-R216 PolarHBondContact N-O 3.49Å; L162-R216 PolarHBondContact O-N 2.89Å; L162-K218 HydrophobicContact CD1-CD 3.91Å; L162-K218 HydrophobicContact CD1-CG 4.32Å
163	L	92.4	Very high	82	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	107.7	177	-63.6	-175.2	0	0	0	108.7	L128 A148 Q186 L194 L214 E215	L128-L163 HydrophobicContact CD1-CD2 3.91Å; A148-L163 HydrophobicContact CB-CD1 4.07Å; A148-L163 HydrophobicContact CB-CD2 3.93Å; L163-Q186 HydrophobicContact CB-CG 4.44Å; L163-Q186 VanDerWaalsContact N-OE1 3.11Å; L163-Q186 PolarHBondContact O-OE1 2.86Å; L163-L194 HydrophobicContact CD1-CB 4.42Å; L163-L194 HydrophobicContact CD1-CD2 4.19Å; L163-L194 HydrophobicContact CD1-CG 3.88Å; L163-L194 HydrophobicContact CG-CD2 3.88Å; L163-L194 HydrophobicContact CG-CG 4.13Å; L163-L214 WeakPolarHBondContact CA-O 3.5Å; L163-E215 HydrophobicContact CD2-CB 4Å; L163-E215 HydrophobicContact CD2-CG 4.17Å
164	E	91.8	Very high	82.1	Confident	19 Å²	19	50.7 Å²	50.7	9%	0.089	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.7	-174.8	-58.8	-177.7	151.1	0	0	110.7	Y166 R171 C213 L214 R216	E164-Y166 HydrophobicContact CB-CD2 4.38Å; E164-Y166 HydrophobicContact CB-CE2 3.83Å; E164-Y166 PolarHBondContact OE2-OH 2.92Å; E164-R171 IonicContact OE1-CZ 2.69Å; E164-R171 IonicContact OE1-NE 2.67Å; E164-R171 PolarHBondContact OE1-NE 3.47Å; E164-R171 IonicContact OE1-NH2 2.97Å; E164-R171 PolarHBondContact OE1-NH2 3.44Å; E164-R171 IonicContact OE2-NE 2.65Å; E164-C213 CarbonylContact O-C 3.6Å; E164-C213 WeakPolarHBondContact O-CA 3.41Å; E164-L214 PolarHBondContact N-O 3.23Å; E164-L214 PolarHBondContact O-N 3.11Å; E164-R216 IonicContact OE1-NE 3.74Å; E164-R216 VanDerWaalsContact OE2-CD 3.26Å; E164-R216 WeakPolarHBondContact OE2-CD 3.23Å; E164-R216 IonicContact OE2-CZ 2.86Å; E164-R216 IonicContact OE2-NE 2.77Å; E164-R216 PolarHBondContact OE2-NE 2.85Å; E164-R216 IonicContact OE2-NH2 2.69Å
165	W	93.2	Very high	81.6	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.3	175.2	-70.8	93	0	0	0	110.9	V130 L144 C146 I172 I184 S196 L198 W211 I212 C213	V130-W165 HydrophobicContact CG1-CH2 3.72Å; V130-W165 HydrophobicContact CG1-CZ3 3.87Å; V130-W165 HydrophobicContact CG2-CH2 4.37Å; V130-W165 HydrophobicContact CG2-CZ3 4.45Å; L144-W165 HydrophobicContact CB-CH2 3.61Å; L144-W165 HydrophobicContact CB-CZ2 4.29Å; L144-W165 HydrophobicContact CB-CZ3 3.99Å; L144-W165 HydrophobicContact CD1-CZ3 4.12Å; C146-W165 HydrophobicContact CB-CH2 3.83Å; C146-W165 HydrophobicContact CB-CZ2 3.46Å; C146-W165 VanDerWaalsContact CB-CZ2 3.46Å; W165-I172 HydrophobicContact CB-CB 4.32Å; W165-I172 PolarHBondContact O-N 3.26Å; W165-I184 HydrophobicContact CB-CD1 4.23Å; W165-I184 HydrophobicContact CG-CD1 4.48Å; W165-S196 PolarHBondContact NE1-OG 2.8Å; W165-L198 HydrophobicContact CB-CD1 4.46Å; W165-L198 HydrophobicContact CD2-CB 3.92Å; W165-L198 HydrophobicContact CD2-CD2 4.3Å; W165-L198 HydrophobicContact CE3-CB 4.5Å; W165-L198 HydrophobicContact CE3-CD2 4.26Å; W165-L198 HydrophobicContact CG-CB 4.13Å; W165-L198 HydrophobicContact CG-CD1 4.36Å; W165-L198 HydrophobicContact CZ2-CB 4.08Å; W165-W211 HydrophobicContact CE3-CE3 4.38Å; W165-W211 HydrophobicContact CZ3-CB 4.44Å; W165-I212 CarbonylContact C-O 3.55Å; W165-I212 WeakPolarHBondContact CA-O 3.34Å; W165-C213 HydrophobicContact CD2-CB 4.37Å; W165-C213 HydrophobicContact CE3-CB 4.15Å; W165-C213 HydrophobicContact CH2-CB 4.22Å; W165-C213 HydrophobicContact CZ2-CB 4.4Å; W165-C213 HydrophobicContact CZ3-CB 4.08Å
166	Y	91.5	Very high	81.1	Confident	21 Å²	21	52.5 Å²	52.5	8%	0.082	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.2	175.5	-73.5	-101.2	0	0	0	109.6	E164 I170 R171 I212 L214 R216	E164-Y166 HydrophobicContact CB-CD2 4.38Å; E164-Y166 HydrophobicContact CB-CE2 3.83Å; E164-Y166 PolarHBondContact OE2-OH 2.92Å; Y166-I170 WeakPolarHBondContact CA-O 3.41Å; Y166-R171 HydrophobicContact CD1-CB 4.05Å; Y166-R171 HydrophobicContact CE1-CB 3.57Å; Y166-R171 HydrophobicContact CE1-CG 4.22Å; Y166-R171 HydrophobicContact CE2-CB 4.48Å; Y166-R171 HydrophobicContact CE2-CG 4.26Å; Y166-I212 PolarHBondContact N-O 3.2Å; Y166-I212 PolarHBondContact O-N 3.25Å; Y166-L214 HydrophobicContact CD2-CB 4.18Å; Y166-L214 HydrophobicContact CE2-CB 4.08Å; Y166-L214 HydrophobicContact CE2-CD2 3.78Å; Y166-R216 PolarHBondContact OH-NH2 2.86Å
167	H	90.3	Very high	80.9	Confident	15 Å²	15	57 Å²	57	7%	0.069	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	133.6	175	-178.3	-118.2	0	0	0	108.3	G169 I170 I172 S206 D207 T208 Q210 W211	H167-G169 PolarHBondContact O-N 3.42Å; H167-I170 PolarHBondContact N-O 3.22Å; H167-I170 PolarHBondContact O-N 3.03Å; H167-I172 HydrophobicContact CB-CD1 4.19Å; H167-I172 HydrophobicContact CB-CG1 4.11Å; H167-S206 PolarHBondContact CE1-O 3.07Å; H167-D207 PolarHBondContact NE2-O 2.85Å; H167-T208 PolarHBondContact NE2-O 2.57Å; H167-T208 VanDerWaalsContact NE2-O 3.15Å; H167-Q210 PolarHBondContact CD2-O 3.06Å; H167-W211 HydrophobicContact CB-CD2 3.97Å; H167-W211 HydrophobicContact CB-CE3 3.69Å; H167-W211 HydrophobicContact CB-CH2 3.74Å; H167-W211 HydrophobicContact CB-CZ2 4.02Å; H167-W211 HydrophobicContact CB-CZ3 3.58Å; H167-W211 AromaticContact CD2-CD1 3.7Å; H167-W211 AromaticContact CD2-CD2 3.6Å; H167-W211 AromaticContact CD2-CE2 3.27Å; H167-W211 AromaticContact CD2-CG 3.87Å; H167-W211 AromaticContact CD2-CZ2 3.67Å; H167-W211 AromaticContact CD2-NE1 3.34Å; H167-W211 PolarHBondContact CD2-NE1 3.35Å; H167-W211 VanDerWaalsContact CD2-NE1 3.34Å; H167-W211 AromaticContact CE1-CZ2 3.87Å; H167-W211 AromaticContact CG-CD2 3.93Å; H167-W211 AromaticContact CG-CE2 3.64Å; H167-W211 AromaticContact CG-CH2 3.81Å; H167-W211 AromaticContact CG-CZ2 3.58Å; H167-W211 AromaticContact ND1-CZ2 3.78Å; H167-W211 AromaticContact NE2-CE2 3.64Å; H167-W211 AromaticContact NE2-CZ2 3.87Å; H167-W211 AromaticContact NE2-NE1 3.43Å; H167-W211 PolarHBondContact NE2-NE1 2.75Å
168	H	85.6	Confident	80.6	Confident	89 Å²	89	64.2 Å²	64.2	41%	0.412	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	35.6	-170.6	-60.7	120.6	0	0	0	114	G18 I170 S206 T208	G18-H168 WeakPolarHBondContact CA-O 3.41Å; H168-I170 PolarHBondContact O-N 3.08Å; H168-S206 PolarHBondContact CE1-O 3.33Å; H168-T208 PolarHBondContact CE1-O 3.35Å; H168-T208 PolarHBondContact NE2-O 2.8Å
169	G	81.6	Confident	80.4	Confident	34 Å²	34	63.1 Å²	63.1	35%	0.351	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-3.3	-178.8	0	0	0	0	0	115.3	H167	H167-G169 PolarHBondContact O-N 3.42Å
170	I	85.3	Confident	80.1	Confident	116 Å²	116	64.8 Å²	64.8	60%	0.595	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.5	-179.5	-58.7	172.7	0	0	0	109.7	Y166 H167 H168 I172	Y166-I170 WeakPolarHBondContact CA-O 3.41Å; H167-I170 PolarHBondContact N-O 3.22Å; H167-I170 PolarHBondContact O-N 3.03Å; H168-I170 PolarHBondContact O-N 3.08Å; I170-I172 PolarHBondContact O-N 2.81Å
171	R	88.2	Confident	80.3	Confident	145 Å²	145	61.6 Å²	61.6	55%	0.547	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	125.7	174.5	-172.5	-177.3	-176.5	-139.2	4.9	109.4	E164 Y166	E164-R171 IonicContact OE1-CZ 2.69Å; E164-R171 IonicContact OE1-NE 2.67Å; E164-R171 PolarHBondContact OE1-NE 3.47Å; E164-R171 IonicContact OE1-NH2 2.97Å; E164-R171 PolarHBondContact OE1-NH2 3.44Å; E164-R171 IonicContact OE2-NE 2.65Å; Y166-R171 HydrophobicContact CD1-CB 4.05Å; Y166-R171 HydrophobicContact CE1-CB 3.57Å; Y166-R171 HydrophobicContact CE1-CG 4.22Å; Y166-R171 HydrophobicContact CE2-CB 4.48Å; Y166-R171 HydrophobicContact CE2-CG 4.26Å
172	I	89.9	Confident	80.5	Confident	37 Å²	37	62.1 Å²	62.1	19%	0.19	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.5	178.4	-54.4	-54.2	0	0	0	109.3	W165 H167 I170 V182 I184 L198 W211	W165-I172 HydrophobicContact CB-CB 4.32Å; W165-I172 PolarHBondContact O-N 3.26Å; H167-I172 HydrophobicContact CB-CD1 4.19Å; H167-I172 HydrophobicContact CB-CG1 4.11Å; I170-I172 PolarHBondContact O-N 2.81Å; I172-V182 HydrophobicContact CG2-CG1 3.66Å; I172-I184 HydrophobicContact CB-CD1 4.38Å; I172-I184 HydrophobicContact CG2-CD1 4.1Å; I172-I184 WeakPolarHBondContact O-CD1 3.39Å; I172-L198 HydrophobicContact CG2-CD1 4.16Å; I172-W211 HydrophobicContact CG1-CH2 4.44Å; I172-W211 HydrophobicContact CG1-CZ3 3.92Å
173	S	85.6	Confident	80.7	Confident	71 Å²	71	65.6 Å²	65.6	50%	0.497	36%	0.355	S	S	.	.			trans	-119.1	143.1	174.5	62.8	0	0	0	0	110.6	D175 S179	S173-D175 PolarHBondContact O-N 2.79Å; S173-D175 VanDerWaalsContact O-N 3.08Å; S173-S179 VanDerWaalsContact O-CB 3.31Å; S173-S179 WeakPolarHBondContact O-CB 3.5Å
174	S	79.6	Confident	80.8	Confident	54 Å²	54	67.2 Å²	67.2	38%	0.378	36%	0.364	S	S	.	.			trans	-82.7	58.6	169.8	61.8	0	0	0	0	110.2	P176 I184	S174-P176 VanDerWaalsContact O-CD 3.27Å; S174-P176 WeakPolarHBondContact O-CD 3.44Å; S174-I184 VanDerWaalsContact CB-N 3.26Å
175	D	67	Low	80.9	Confident	42 Å²	42	73.2 Å²	73.2	23%	0.225	39%	0.39	C	S	.	.			trans	-79.6	111.2	173.9	-178.8	-31.1	0	0	0	108.4	S173 F177 K178 S179	S173-D175 PolarHBondContact O-N 2.79Å; S173-D175 VanDerWaalsContact O-N 3.08Å; D175-F177 PolarHBondContact O-N 2.98Å; D175-F177 WeakPolarHBondContact OD1-CB 3.36Å; D175-F177 PolarHBondContact OD1-N 3.43Å; D175-K178 HydrophobicContact CB-CB 3.99Å; D175-K178 HydrophobicContact CB-CG 4.38Å; D175-K178 PolarHBondContact O-N 2.96Å; D175-K178 PolarHBondContact OD1-N 3.34Å; D175-K178 VanDerWaalsContact OD2-CD 3.26Å; D175-K178 WeakPolarHBondContact OD2-CD 3.11Å; D175-K178 WeakPolarHBondContact OD2-CE 3.43Å; D175-K178 WeakPolarHBondContact OD2-CG 3.19Å; D175-S179 VanDerWaalsContact C-OG 3.3Å; D175-S179 WeakPolarHBondContact O-CB 3.21Å; D175-S179 PolarHBondContact O-N 2.83Å; D175-S179 PolarHBondContact O-OG 2.78Å
176	P	55.3	Low	80.9	Confident	104 Å²	104	76.2 Å²	76.2	68%	0.675	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.5	-175.7	-23.2	33.9	0	0	0	114.4	S174	S174-P176 VanDerWaalsContact O-CD 3.27Å; S174-P176 WeakPolarHBondContact O-CD 3.44Å
177	F	59.1	Low	81	Confident	197 Å²	197	79.5 Å²	79.5	86%	0.864	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-18.3	-177.1	-55.6	-77.3	0	0	0	113.4	D175	D175-F177 PolarHBondContact O-N 2.98Å; D175-F177 WeakPolarHBondContact OD1-CB 3.36Å; D175-F177 PolarHBondContact OD1-N 3.43Å
178	K	61.4	Low	81.2	Confident	176 Å²	176	82.8 Å²	82.8	77%	0.765	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-23	-176.4	-56.2	-175.6	-168.7	179.5	0	114.5	D175 G180	D175-K178 HydrophobicContact CB-CB 3.99Å; D175-K178 HydrophobicContact CB-CG 4.38Å; D175-K178 PolarHBondContact O-N 2.96Å; D175-K178 PolarHBondContact OD1-N 3.34Å; D175-K178 VanDerWaalsContact OD2-CD 3.26Å; D175-K178 WeakPolarHBondContact OD2-CD 3.11Å; D175-K178 WeakPolarHBondContact OD2-CE 3.43Å; D175-K178 WeakPolarHBondContact OD2-CG 3.19Å; K178-G180 VanDerWaalsContact C-N 3.27Å; K178-G180 PolarHBondContact O-N 3.32Å
179	S	63	Low	81.6	Confident	19 Å²	19	82.4 Å²	82.4	13%	0.133	43%	0.431	C	S	.	.	S	Bend	trans	-82.6	7.3	-164.2	59.1	0	0	0	0	115.1	S173 D175 G181 V182	S173-S179 VanDerWaalsContact O-CB 3.31Å; S173-S179 WeakPolarHBondContact O-CB 3.5Å; D175-S179 VanDerWaalsContact C-OG 3.3Å; D175-S179 WeakPolarHBondContact O-CB 3.21Å; D175-S179 PolarHBondContact O-N 2.83Å; D175-S179 PolarHBondContact O-OG 2.78Å; S179-G181 PolarHBondContact O-N 2.98Å; S179-V182 WeakPolarHBondContact CB-O 3.5Å; S179-V182 WeakPolarHBondContact O-CB 3.17Å; S179-V182 WeakPolarHBondContact O-CG2 3.3Å; S179-V182 PolarHBondContact O-N 2.69Å; S179-V182 PolarHBondContact OG-O 3.25Å
180	G	67.4	Low	82	Confident	84 Å²	84	84 Å²	84	87%	0.866	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	15	167.1	0	0	0	0	0	116.2	K178	K178-G180 VanDerWaalsContact C-N 3.27Å; K178-G180 PolarHBondContact O-N 3.32Å
181	G	83.2	Confident	82.2	Confident	12 Å²	12	81.4 Å²	81.4	12%	0.124	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.4	15.7	-172.2	0	0	0	0	0	115.2	S179 Y183 I200 K201	S179-G181 PolarHBondContact O-N 2.98Å; G181-Y183 WeakPolarHBondContact O-CD2 3.26Å; G181-Y183 WeakPolarHBondContact O-CE2 3.3Å; G181-I200 WeakPolarHBondContact O-CA 3.38Å; G181-K201 PolarHBondContact O-N 3.5Å
182	V	91	Very high	82.2	Confident	20 Å²	20	79 Å²	79	12%	0.121	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.9	173.4	-176.3	0	0	0	0	111.2	I172 S179 L198 F199 I200	I172-V182 HydrophobicContact CG2-CG1 3.66Å; S179-V182 WeakPolarHBondContact CB-O 3.5Å; S179-V182 WeakPolarHBondContact O-CB 3.17Å; S179-V182 WeakPolarHBondContact O-CG2 3.3Å; S179-V182 PolarHBondContact O-N 2.69Å; S179-V182 PolarHBondContact OG-O 3.25Å; V182-L198 HydrophobicContact CG1-CD1 3.44Å; V182-L198 VanDerWaalsContact CG1-CD1 3.44Å; V182-L198 HydrophobicContact CG1-CG 4.49Å; V182-F199 CarbonylContact C-O 3.59Å; V182-F199 WeakPolarHBondContact CA-O 3.43Å; V182-I200 HydrophobicContact CG1-CG1 4.44Å; V182-I200 HydrophobicContact CG2-CD1 4.42Å; V182-I200 HydrophobicContact CG2-CG1 4.1Å; V182-I200 HydrophobicContact CG2-CG2 4.26Å
183	Y	92.4	Very high	82.3	Confident	118 Å²	118	78 Å²	78	46%	0.463	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135	-177.2	-55.1	-90.7	0	0	0	110.1	G181 L198 F199	G181-Y183 WeakPolarHBondContact O-CD2 3.26Å; G181-Y183 WeakPolarHBondContact O-CE2 3.3Å; Y183-L198 CarbonylContact O-C 3.59Å; Y183-L198 WeakPolarHBondContact O-CA 3.35Å; Y183-F199 AromaticContact CD2-CD1 3.9Å; Y183-F199 HydrophobicContact CD2-CD1 3.9Å; Y183-F199 PolarHBondContact N-O 3.48Å; Y183-F199 PolarHBondContact O-N 3.15Å
184	I	94.1	Very high	82.7	Confident	37 Å²	37	74.8 Å²	74.8	19%	0.19	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.4	178.7	-60.7	170.6	0	0	0	107.6	W165 I172 S174 R197 L198	W165-I184 HydrophobicContact CB-CD1 4.23Å; W165-I184 HydrophobicContact CG-CD1 4.48Å; I172-I184 HydrophobicContact CB-CD1 4.38Å; I172-I184 HydrophobicContact CG2-CD1 4.1Å; I172-I184 WeakPolarHBondContact O-CD1 3.39Å; S174-I184 VanDerWaalsContact CB-N 3.26Å; I184-R197 CarbonylContact C-O 3.57Å; I184-R197 VanDerWaalsContact CA-O 3.26Å; I184-R197 WeakPolarHBondContact CA-O 3.36Å; I184-L198 HydrophobicContact CD1-CD1 3.97Å; I184-L198 HydrophobicContact CG1-CD1 3.56Å
185	K	93.7	Very high	83.5	Confident	146 Å²	146	72.4 Å²	72.4	64%	0.635	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.1	175.3	-175.6	174.8	-178.2	173.4	0	109.8	S196 R197	K185-S196 CarbonylContact O-C 3.56Å; K185-S196 WeakPolarHBondContact O-CA 3.34Å; K185-R197 PolarHBondContact N-O 3.21Å; K185-R197 PolarHBondContact O-N 3.24Å
186	Q	94.2	Very high	85	Confident	64 Å²	64	70.4 Å²	70.4	30%	0.299	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.8	171	-84.8	-176	-98.7	0	0	111.6	L163 E195 S196	L163-Q186 HydrophobicContact CB-CG 4.44Å; L163-Q186 VanDerWaalsContact N-OE1 3.11Å; L163-Q186 PolarHBondContact O-OE1 2.86Å; Q186-E195 CarbonylContact C-O 3.56Å; Q186-E195 VanDerWaalsContact CA-O 3.24Å; Q186-E195 WeakPolarHBondContact CA-O 3.28Å; Q186-S196 WeakPolarHBondContact CG-OG 3.38Å
187	K	94	Very high	86.9	Confident	89 Å²	89	69.2 Å²	69.2	39%	0.387	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	148.3	170.4	59.7	171.7	-179	163.2	0	110.8	L189 E195	K187-L189 HydrophobicContact CD-CD2 4.17Å; K187-L189 HydrophobicContact CG-CD2 4.32Å; K187-E195 WeakPolarHBondContact CE-OE2 3.22Å; K187-E195 PolarHBondContact N-O 2.73Å; K187-E195 IonicContact NZ-OE2 3.76Å; K187-E195 PolarHBondContact O-N 2.76Å
188	W	93.6	Very high	88.7	Confident	84 Å²	84	59.8 Å²	59.8	32%	0.318	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.2	164.7	-69.6	95.1	0	0	0	109	F150 Q155 I161 L194	F150-W188 HydrophobicContact CD2-CH2 4.15Å; F150-W188 HydrophobicContact CD2-CZ3 4.05Å; F150-W188 AromaticContact CE2-CH2 3.83Å; F150-W188 HydrophobicContact CE2-CH2 3.83Å; F150-W188 HydrophobicContact CE2-CZ3 4.02Å; Q155-W188 HydrophobicContact CG-CD2 4.38Å; Q155-W188 HydrophobicContact CG-CZ2 4.38Å; I161-W188 HydrophobicContact CB-CZ2 4.41Å; I161-W188 HydrophobicContact CD1-CH2 3.84Å; I161-W188 HydrophobicContact CD1-CZ2 4.18Å; W188-L194 HydrophobicContact CD2-CB 4.1Å; W188-L194 HydrophobicContact CD2-CD1 4.01Å; W188-L194 HydrophobicContact CE3-CB 3.87Å; W188-L194 HydrophobicContact CG-CD1 4.14Å; W188-L194 HydrophobicContact CH2-CB 4.01Å; W188-L194 HydrophobicContact CZ2-CB 4.2Å; W188-L194 HydrophobicContact CZ2-CD1 4.46Å; W188-L194 HydrophobicContact CZ2-CD2 4.15Å; W188-L194 HydrophobicContact CZ3-CB 3.84Å
189	L	93.8	Very high	90.3	Very high	81 Å²	81	55 Å²	55	42%	0.424	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-34.2	172.4	-63.9	-176.7	0	0	0	111.1	Y147 K187 T193 E195	Y147-L189 HydrophobicContact CD1-CD1 4.11Å; Y147-L189 HydrophobicContact CE1-CD1 3.78Å; K187-L189 HydrophobicContact CD-CD2 4.17Å; K187-L189 HydrophobicContact CG-CD2 4.32Å; L189-T193 HydrophobicContact CB-CG2 4.48Å; L189-T193 HydrophobicContact CD1-CG2 4.22Å; L189-T193 PolarHBondContact N-O 2.86Å; L189-E195 HydrophobicContact CD1-CB 3.92Å; L189-E195 HydrophobicContact CD1-CG 4.49Å; L189-E195 HydrophobicContact CD2-CB 4.21Å; L189-E195 HydrophobicContact CG-CB 3.83Å
190	D	91.2	Very high	91.8	Very high	68 Å²	68	54.4 Å²	54.4	36%	0.364	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	172.7	176.4	63.8	67.1	0	0	0	107.8	K192 T193	D190-K192 PolarHBondContact O-N 3.46Å; D190-K192 VanDerWaalsContact OD1-C 3.27Å; D190-K192 VanDerWaalsContact OD1-CA 3.24Å; D190-K192 WeakPolarHBondContact OD1-CA 3.31Å; D190-K192 WeakPolarHBondContact OD1-CB 3.29Å; D190-K192 PolarHBondContact OD1-N 3.45Å; D190-T193 PolarHBondContact O-N 2.61Å; D190-T193 PolarHBondContact OD1-N 3.1Å; D190-T193 PolarHBondContact OD1-OG1 3.19Å; D190-T193 WeakPolarHBondContact OD2-CB 3.18Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å
191	P	88.2	Confident	93	Very high	62 Å²	62	55 Å²	55	40%	0.403	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.5	-178	-24.5	34.8	0	0	0	115.3	D153	D153-P191 HydrophobicContact CB-CB 4.24Å; D153-P191 WeakPolarHBondContact OD2-CB 3.44Å
192	K	88.5	Confident	93.4	Very high	95 Å²	95	62.3 Å²	62.3	41%	0.413	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-3.7	-176.9	-55.8	-168.8	-179.6	-169	0	113.5	K149 F150 S151 D190	K149-K192 CarbonylContact C-O 3.52Å; K149-K192 WeakPolarHBondContact CA-O 3.31Å; F150-K192 WeakPolarHBondContact CD2-O 3.41Å; F150-K192 PolarHBondContact N-O 2.95Å; S151-K192 PolarHBondContact O-NZ 3.11Å; D190-K192 PolarHBondContact O-N 3.46Å; D190-K192 VanDerWaalsContact OD1-C 3.27Å; D190-K192 VanDerWaalsContact OD1-CA 3.24Å; D190-K192 WeakPolarHBondContact OD1-CA 3.31Å; D190-K192 WeakPolarHBondContact OD1-CB 3.29Å; D190-K192 PolarHBondContact OD1-N 3.45Å
193	T	92.5	Very high	93.5	Very high	14 Å²	14	61.5 Å²	61.5	9%	0.086	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	114	-176.2	-50.8	0	0	0	0	111.9	Y147 A148 K149 L189 D190	Y147-T193 HydrophobicContact CD1-CG2 4.33Å; A148-T193 WeakPolarHBondContact O-CA 3.49Å; K149-T193 HydrophobicContact CG-CG2 4.02Å; L189-T193 HydrophobicContact CB-CG2 4.48Å; L189-T193 HydrophobicContact CD1-CG2 4.22Å; L189-T193 PolarHBondContact N-O 2.86Å; D190-T193 PolarHBondContact O-N 2.61Å; D190-T193 PolarHBondContact OD1-N 3.1Å; D190-T193 PolarHBondContact OD1-OG1 3.19Å; D190-T193 WeakPolarHBondContact OD2-CB 3.18Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å
194	L	93.8	Very high	93.5	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.7	172	179.1	59	0	0	0	109.6	Y147 A148 F150 I161 L163 W188	Y147-L194 WeakPolarHBondContact CA-O 3.26Å; A148-L194 HydrophobicContact CB-CB 4.34Å; A148-L194 PolarHBondContact N-O 3.11Å; A148-L194 PolarHBondContact O-N 3.24Å; F150-L194 HydrophobicContact CE2-CB 4.49Å; I161-L194 HydrophobicContact CB-CD2 3.96Å; I161-L194 HydrophobicContact CG2-CD2 3.67Å; I161-L194 WeakPolarHBondContact O-CD2 3.49Å; L163-L194 HydrophobicContact CD1-CB 4.42Å; L163-L194 HydrophobicContact CD1-CD2 4.19Å; L163-L194 HydrophobicContact CD1-CG 3.88Å; L163-L194 HydrophobicContact CG-CD2 3.88Å; L163-L194 HydrophobicContact CG-CG 4.13Å; W188-L194 HydrophobicContact CD2-CB 4.1Å; W188-L194 HydrophobicContact CD2-CD1 4.01Å; W188-L194 HydrophobicContact CE3-CB 3.87Å; W188-L194 HydrophobicContact CG-CD1 4.14Å; W188-L194 HydrophobicContact CH2-CB 4.01Å; W188-L194 HydrophobicContact CZ2-CB 4.2Å; W188-L194 HydrophobicContact CZ2-CD1 4.46Å; W188-L194 HydrophobicContact CZ2-CD2 4.15Å; W188-L194 HydrophobicContact CZ3-CB 3.84Å
195	E	96.6	Very high	93.4	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.019	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.2	174.9	-176.9	-174.2	-123.1	0	0	110	C146 Y147 Q186 K187 L189 R197	C146-E195 CarbonylContact O-C 3.56Å; C146-E195 VanDerWaalsContact O-CA 3.31Å; C146-E195 WeakPolarHBondContact O-CA 3.37Å; Y147-E195 HydrophobicContact CD1-CB 4.08Å; Y147-E195 HydrophobicContact CD1-CG 4.02Å; Y147-E195 HydrophobicContact CE1-CB 3.96Å; Y147-E195 HydrophobicContact CE1-CG 3.51Å; Y147-E195 WeakPolarHBondContact CE1-OE1 3.41Å; Y147-E195 PolarHBondContact OH-OE1 3.28Å; Q186-E195 CarbonylContact C-O 3.56Å; Q186-E195 VanDerWaalsContact CA-O 3.24Å; Q186-E195 WeakPolarHBondContact CA-O 3.28Å; K187-E195 WeakPolarHBondContact CE-OE2 3.22Å; K187-E195 PolarHBondContact N-O 2.73Å; K187-E195 IonicContact NZ-OE2 3.76Å; K187-E195 PolarHBondContact O-N 2.76Å; L189-E195 HydrophobicContact CD1-CB 3.92Å; L189-E195 HydrophobicContact CD1-CG 4.49Å; L189-E195 HydrophobicContact CD2-CB 4.21Å; L189-E195 HydrophobicContact CG-CB 3.83Å; E195-R197 HydrophobicContact CG-CG 4.08Å; E195-R197 IonicContact OE1-CZ 3.6Å; E195-R197 IonicContact OE1-NE 3.3Å; E195-R197 PolarHBondContact OE1-NE 2.99Å; E195-R197 IonicContact OE1-NH2 3.06Å; E195-R197 PolarHBondContact OE1-NH2 3.03Å; E195-R197 IonicContact OE2-CZ 3.27Å; E195-R197 VanDerWaalsContact OE2-CZ 3.27Å; E195-R197 IonicContact OE2-NE 2.73Å; E195-R197 PolarHBondContact OE2-NE 3.09Å; E195-R197 IonicContact OE2-NH2 2.96Å; E195-R197 PolarHBondContact OE2-NH2 3.36Å
196	S	97	Very high	93.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.3	165.5	-172	0	0	0	0	109.5	K145 C146 W165 K185 Q186	K145-S196 CarbonylContact C-O 3.53Å; K145-S196 WeakPolarHBondContact CA-O 3.41Å; C146-S196 PolarHBondContact N-O 3.42Å; C146-S196 PolarHBondContact O-N 3.39Å; W165-S196 PolarHBondContact NE1-OG 2.8Å; K185-S196 CarbonylContact O-C 3.56Å; K185-S196 WeakPolarHBondContact O-CA 3.34Å; Q186-S196 WeakPolarHBondContact CG-OG 3.38Å
197	R	96.6	Very high	93.2	Very high	79 Å²	79	54.6 Å²	54.6	30%	0.298	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	177	-57.9	-172.9	-179	-161.3	-3.6	109.2	E143 L144 K145 I184 K185 E195	E143-R197 WeakPolarHBondContact OE1-CD 3.31Å; E143-R197 IonicContact OE1-NH1 3.61Å; L144-R197 CarbonylContact O-C 3.54Å; L144-R197 WeakPolarHBondContact O-CA 3.19Å; K145-R197 HydrophobicContact CG-CG 4.23Å; I184-R197 CarbonylContact C-O 3.57Å; I184-R197 VanDerWaalsContact CA-O 3.26Å; I184-R197 WeakPolarHBondContact CA-O 3.36Å; K185-R197 PolarHBondContact N-O 3.21Å; K185-R197 PolarHBondContact O-N 3.24Å; E195-R197 HydrophobicContact CG-CG 4.08Å; E195-R197 IonicContact OE1-CZ 3.6Å; E195-R197 IonicContact OE1-NE 3.3Å; E195-R197 PolarHBondContact OE1-NE 2.99Å; E195-R197 IonicContact OE1-NH2 3.06Å; E195-R197 PolarHBondContact OE1-NH2 3.03Å; E195-R197 IonicContact OE2-CZ 3.27Å; E195-R197 VanDerWaalsContact OE2-CZ 3.27Å; E195-R197 IonicContact OE2-NE 2.73Å; E195-R197 PolarHBondContact OE2-NE 3.09Å; E195-R197 IonicContact OE2-NH2 2.96Å; E195-R197 PolarHBondContact OE2-NH2 3.36Å
198	L	96.1	Very high	93.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128	167.4	174.5	82.8	0	0	0	107.9	E143 L144 W165 I172 V182 Y183 I184 W211	E143-L198 CarbonylContact C-O 3.46Å; E143-L198 WeakPolarHBondContact CA-O 3.44Å; L144-L198 HydrophobicContact CB-CB 4.34Å; L144-L198 HydrophobicContact CB-CD2 4.39Å; L144-L198 HydrophobicContact CD1-CD2 4.06Å; L144-L198 HydrophobicContact CG-CD2 4.43Å; L144-L198 PolarHBondContact N-O 3.04Å; L144-L198 PolarHBondContact O-N 3.32Å; W165-L198 HydrophobicContact CB-CD1 4.46Å; W165-L198 HydrophobicContact CD2-CB 3.92Å; W165-L198 HydrophobicContact CD2-CD2 4.3Å; W165-L198 HydrophobicContact CE3-CB 4.5Å; W165-L198 HydrophobicContact CE3-CD2 4.26Å; W165-L198 HydrophobicContact CG-CB 4.13Å; W165-L198 HydrophobicContact CG-CD1 4.36Å; W165-L198 HydrophobicContact CZ2-CB 4.08Å; I172-L198 HydrophobicContact CG2-CD1 4.16Å; V182-L198 HydrophobicContact CG1-CD1 3.44Å; V182-L198 VanDerWaalsContact CG1-CD1 3.44Å; V182-L198 HydrophobicContact CG1-CG 4.49Å; Y183-L198 CarbonylContact O-C 3.59Å; Y183-L198 WeakPolarHBondContact O-CA 3.35Å; I184-L198 HydrophobicContact CD1-CD1 3.97Å; I184-L198 HydrophobicContact CG1-CD1 3.56Å; L198-W211 HydrophobicContact CD1-CZ3 4.28Å; L198-W211 HydrophobicContact CD2-CD2 4.05Å; L198-W211 HydrophobicContact CD2-CE3 3.3Å; L198-W211 HydrophobicContact CD2-CH2 3.8Å; L198-W211 HydrophobicContact CD2-CZ2 4.46Å; L198-W211 HydrophobicContact CD2-CZ3 3.15Å; L198-W211 HydrophobicContact CG-CZ3 4.32Å
199	F	95.2	Very high	93.1	Very high	76 Å²	76	49 Å²	49	33%	0.333	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.6	177.8	-179.4	-100	0	0	0	110.2	P141 L142 E143 V182 Y183 K201	P141-F199 HydrophobicContact CB-CE2 3.72Å; P141-F199 HydrophobicContact CB-CZ 3.72Å; L142-F199 CarbonylContact O-C 3.53Å; L142-F199 WeakPolarHBondContact O-CA 3.16Å; E143-F199 HydrophobicContact CB-CD2 4.15Å; E143-F199 HydrophobicContact CG-CD2 4.43Å; V182-F199 CarbonylContact C-O 3.59Å; V182-F199 WeakPolarHBondContact CA-O 3.43Å; Y183-F199 AromaticContact CD2-CD1 3.9Å; Y183-F199 HydrophobicContact CD2-CD1 3.9Å; Y183-F199 PolarHBondContact N-O 3.48Å; Y183-F199 PolarHBondContact O-N 3.15Å; F199-K201 HydrophobicContact CE1-CB 4.15Å; F199-K201 HydrophobicContact CE1-CG 4.5Å
200	I	93.8	Very high	93	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.8	172.7	-48.6	-171.8	0	0	0	107.3	P141 L142 G181 V182 W202 D207 W211	P141-I200 CarbonylContact C-O 3.58Å; P141-I200 VanDerWaalsContact CA-O 3.31Å; P141-I200 WeakPolarHBondContact CA-O 3.29Å; L142-I200 HydrophobicContact CB-CB 4.2Å; L142-I200 HydrophobicContact CD2-CD1 4.12Å; L142-I200 PolarHBondContact N-O 2.54Å; L142-I200 PolarHBondContact O-N 2.83Å; G181-I200 WeakPolarHBondContact O-CA 3.38Å; V182-I200 HydrophobicContact CG1-CG1 4.44Å; V182-I200 HydrophobicContact CG2-CD1 4.42Å; V182-I200 HydrophobicContact CG2-CG1 4.1Å; V182-I200 HydrophobicContact CG2-CG2 4.26Å; I200-W202 VanDerWaalsContact C-N 3.35Å; I200-W202 PolarHBondContact O-N 2.97Å; I200-D207 HydrophobicContact CD1-CB 4.28Å; I200-W211 HydrophobicContact CD1-CH2 3.66Å; I200-W211 HydrophobicContact CD1-CZ2 3.58Å
201	K	92.4	Very high	93.1	Very high	96 Å²	96	43.2 Å²	43.2	42%	0.417	21%	0.214	S	C	.	.	S	Bend	trans	-64.7	-39	-174.4	-170.5	178.2	178.6	176.2	0	112.7	G181 F199	G181-K201 PolarHBondContact O-N 3.5Å; F199-K201 HydrophobicContact CE1-CB 4.15Å; F199-K201 HydrophobicContact CE1-CG 4.5Å
202	W	92.3	Very high	93.3	Very high	166 Å²	166	40.5 Å²	40.5	63%	0.629	20%	0.195	S	C	*	.	S	Bend	trans	-138.1	98.1	-177.2	-51	113.9	0	0	0	108.7	I200	I200-W202 VanDerWaalsContact C-N 3.35Å; I200-W202 PolarHBondContact O-N 2.97Å
203	A	93.6	Very high	93.6	Very high	2 Å²	2	36 Å²	36	2%	0.017	18%	0.176	C	C	.	.			trans	-64.9	141.2	179.2	0	0	0	0	0	111.1	V136 G139 S140 L142 I284	V136-A203 HydrophobicContact CG1-CB 3.99Å; G139-A203 WeakPolarHBondContact CA-O 3.39Å; G139-A203 PolarHBondContact N-O 2.85Å; S140-A203 WeakPolarHBondContact O-CB 3.2Å; S140-A203 PolarHBondContact O-N 3.21Å; L142-A203 HydrophobicContact CB-CB 4.34Å; A203-I284 HydrophobicContact CB-CD1 3.85Å; A203-I284 HydrophobicContact CB-CG1 4.43Å; A203-I284 HydrophobicContact CB-CG2 4.33Å
204	S	92.9	Very high	93.6	Very high	30 Å²	30	35.3 Å²	35.3	21%	0.21	17%	0.172	C	C	.	.			trans	-126.5	162	-177.8	65.2	0	0	0	0	110	S206 D207 I284	S204-S206 PolarHBondContact O-N 3.42Å; S204-S206 VanDerWaalsContact O-N 3.11Å; S204-S206 PolarHBondContact OG-OG 2.67Å; S204-D207 PolarHBondContact N-OD2 3.27Å; S204-D207 WeakPolarHBondContact O-CB 3.43Å; S204-D207 PolarHBondContact O-N 2.89Å; S204-D207 PolarHBondContact OG-OD2 3.31Å; S204-I284 VanDerWaalsContact O-CG1 3.26Å; S204-I284 WeakPolarHBondContact O-CG1 3.31Å
205	E	91.1	Very high	93.3	Very high	83 Å²	83	35.5 Å²	35.5	39%	0.388	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-55.2	-32.9	177.1	-69	178.1	168.4	0	0	112.7	Y138 D207 T208 K289	Y138-E205 HydrophobicContact CD2-CG 4.25Å; E205-D207 PolarHBondContact O-N 2.65Å; E205-T208 WeakPolarHBondContact O-CB 3.42Å; E205-T208 PolarHBondContact O-N 2.82Å; E205-T208 VanDerWaalsContact O-N 3.11Å; E205-T208 PolarHBondContact O-OG1 3.38Å; E205-K289 VanDerWaalsContact OE1-CD 3.26Å; E205-K289 WeakPolarHBondContact OE1-CD 3.48Å; E205-K289 VanDerWaalsContact OE1-CE 3.3Å; E205-K289 WeakPolarHBondContact OE1-CE 3.42Å; E205-K289 IonicContact OE1-NZ 3.68Å; E205-K289 PolarHBondContact OE1-NZ 2.78Å; E205-K289 IonicContact OE2-NZ 2.99Å; E205-K289 PolarHBondContact OE2-NZ 2.8Å
206	S	91.3	Very high	92.7	Very high	87 Å²	87	39.1 Å²	39.1	61%	0.608	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-65	-17.5	176.1	44.8	0	0	0	0	114.4	H167 H168 S204 T208	H167-S206 PolarHBondContact CE1-O 3.07Å; H168-S206 PolarHBondContact CE1-O 3.33Å; S204-S206 PolarHBondContact O-N 3.42Å; S204-S206 VanDerWaalsContact O-N 3.11Å; S204-S206 PolarHBondContact OG-OG 2.67Å; S206-T208 VanDerWaalsContact C-N 3.29Å
207	D	92.6	Very high	91.7	Very high	20 Å²	20	41.8 Å²	41.8	11%	0.107	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-82.3	-7.9	175.8	-59.4	-56.1	0	0	0	112.9	H167 I200 S204 E205 W211 I284	H167-D207 PolarHBondContact NE2-O 2.85Å; I200-D207 HydrophobicContact CD1-CB 4.28Å; S204-D207 PolarHBondContact N-OD2 3.27Å; S204-D207 WeakPolarHBondContact O-CB 3.43Å; S204-D207 PolarHBondContact O-N 2.89Å; S204-D207 PolarHBondContact OG-OD2 3.31Å; E205-D207 PolarHBondContact O-N 2.65Å; D207-W211 HydrophobicContact CB-CZ2 4.34Å; D207-W211 PolarHBondContact O-NE1 3Å; D207-I284 HydrophobicContact CB-CG1 4.12Å
208	T	93.6	Very high	90.4	Very high	46 Å²	46	42 Å²	42	28%	0.282	20%	0.2	S	C	.	.			trans	-60.8	147.4	172.6	-62	0	0	0	0	110.3	H167 H168 E205 S206 V282 I284	H167-T208 PolarHBondContact NE2-O 2.57Å; H167-T208 VanDerWaalsContact NE2-O 3.15Å; H168-T208 PolarHBondContact CE1-O 3.35Å; H168-T208 PolarHBondContact NE2-O 2.8Å; E205-T208 WeakPolarHBondContact O-CB 3.42Å; E205-T208 PolarHBondContact O-N 2.82Å; E205-T208 VanDerWaalsContact O-N 3.11Å; E205-T208 PolarHBondContact O-OG1 3.38Å; S206-T208 VanDerWaalsContact C-N 3.29Å; T208-V282 CarbonylContact C-O 3.53Å; T208-V282 WeakPolarHBondContact CA-O 3.5Å; T208-I284 WeakPolarHBondContact OG1-CB 3.4Å; T208-I284 PolarHBondContact OG1-N 3.34Å; T208-I284 VanDerWaalsContact OG1-N 3.1Å
209	G	91.9	Very high	88.9	Confident	9 Å²	9	44.5 Å²	44.5	9%	0.093	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.9	-159.8	174	0	0	0	0	0	113.1	E281 V282	G209-E281 WeakPolarHBondContact CA-OE1 3.1Å; G209-V282 PolarHBondContact N-O 3.37Å; G209-V282 PolarHBondContact O-N 3.13Å
210	Q	91	Very high	87.5	Confident	26 Å²	26	43.9 Å²	43.9	12%	0.121	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.9	-174.3	-170	169.1	106.8	0	0	112.4	L60 H167 I212 R279 E281	L60-Q210 VanDerWaalsContact CD2-OE1 3.27Å; H167-Q210 PolarHBondContact CD2-O 3.06Å; Q210-I212 HydrophobicContact CG-CG1 4.13Å; Q210-R279 HydrophobicContact CG-CB 4.21Å; Q210-E281 WeakPolarHBondContact CB-OE2 3.14Å; Q210-E281 PolarHBondContact N-OE1 2.92Å
211	W	93.7	Very high	85.8	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.011	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.5	168.6	-71.8	84	0	0	0	110.1	L144 W165 H167 I172 L198 I200 D207 R279 I280	L144-W211 HydrophobicContact CD1-CB 3.58Å; L144-W211 HydrophobicContact CD1-CD2 3.77Å; L144-W211 HydrophobicContact CD1-CE3 4.3Å; L144-W211 HydrophobicContact CD1-CG 3.42Å; L144-W211 VanDerWaalsContact CD1-CG 3.42Å; W165-W211 HydrophobicContact CE3-CE3 4.38Å; W165-W211 HydrophobicContact CZ3-CB 4.44Å; H167-W211 HydrophobicContact CB-CD2 3.97Å; H167-W211 HydrophobicContact CB-CE3 3.69Å; H167-W211 HydrophobicContact CB-CH2 3.74Å; H167-W211 HydrophobicContact CB-CZ2 4.02Å; H167-W211 HydrophobicContact CB-CZ3 3.58Å; H167-W211 AromaticContact CD2-CD1 3.7Å; H167-W211 AromaticContact CD2-CD2 3.6Å; H167-W211 AromaticContact CD2-CE2 3.27Å; H167-W211 AromaticContact CD2-CG 3.87Å; H167-W211 AromaticContact CD2-CZ2 3.67Å; H167-W211 AromaticContact CD2-NE1 3.34Å; H167-W211 PolarHBondContact CD2-NE1 3.35Å; H167-W211 VanDerWaalsContact CD2-NE1 3.34Å; H167-W211 AromaticContact CE1-CZ2 3.87Å; H167-W211 AromaticContact CG-CD2 3.93Å; H167-W211 AromaticContact CG-CE2 3.64Å; H167-W211 AromaticContact CG-CH2 3.81Å; H167-W211 AromaticContact CG-CZ2 3.58Å; H167-W211 AromaticContact ND1-CZ2 3.78Å; H167-W211 AromaticContact NE2-CE2 3.64Å; H167-W211 AromaticContact NE2-CZ2 3.87Å; H167-W211 AromaticContact NE2-NE1 3.43Å; H167-W211 PolarHBondContact NE2-NE1 2.75Å; I172-W211 HydrophobicContact CG1-CH2 4.44Å; I172-W211 HydrophobicContact CG1-CZ3 3.92Å; L198-W211 HydrophobicContact CD1-CZ3 4.28Å; L198-W211 HydrophobicContact CD2-CD2 4.05Å; L198-W211 HydrophobicContact CD2-CE3 3.3Å; L198-W211 HydrophobicContact CD2-CH2 3.8Å; L198-W211 HydrophobicContact CD2-CZ2 4.46Å; L198-W211 HydrophobicContact CD2-CZ3 3.15Å; L198-W211 HydrophobicContact CG-CZ3 4.32Å; I200-W211 HydrophobicContact CD1-CH2 3.66Å; I200-W211 HydrophobicContact CD1-CZ2 3.58Å; D207-W211 HydrophobicContact CB-CZ2 4.34Å; D207-W211 PolarHBondContact O-NE1 3Å; W211-R279 CarbonylContact O-C 3.57Å; W211-R279 WeakPolarHBondContact O-CA 3.47Å; W211-R279 WeakPolarHBondContact O-CB 3.28Å; W211-I280 HydrophobicContact CB-CG2 3.84Å; W211-I280 PolarHBondContact N-O 3.24Å; W211-I280 PolarHBondContact O-N 3.1Å
212	I	93.1	Very high	83.9	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.1	-179	-60.6	165	0	0	0	108.5	I17 L60 W165 Y166 Q210 F277 G278 R279	I17-I212 HydrophobicContact CG2-CD1 4.35Å; L60-I212 HydrophobicContact CB-CD1 3.82Å; L60-I212 HydrophobicContact CD2-CD1 3.52Å; L60-I212 HydrophobicContact CD2-CG1 4.2Å; L60-I212 HydrophobicContact CG-CD1 4.3Å; W165-I212 CarbonylContact C-O 3.55Å; W165-I212 WeakPolarHBondContact CA-O 3.34Å; Y166-I212 PolarHBondContact N-O 3.2Å; Y166-I212 PolarHBondContact O-N 3.25Å; Q210-I212 HydrophobicContact CG-CG1 4.13Å; I212-F277 HydrophobicContact CG2-CB 4Å; I212-F277 HydrophobicContact CG2-CD2 4.29Å; I212-G278 CarbonylContact C-O 3.59Å; I212-G278 WeakPolarHBondContact CA-O 3.36Å; I212-R279 HydrophobicContact CG1-CB 4.21Å
213	C	94.3	Very high	81.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.2	165.2	175.1	0	0	0	0	108.3	L128 V130 C146 E164 W165 F277 G278	L128-C213 WeakPolarHBondContact CD2-O 3.38Å; V130-C213 HydrophobicContact CG2-CB 3.52Å; C146-C213 HydrophobicContact CB-CB 3.54Å; C146-C213 WeakPolarHBondContact CB-SG 3.44Å; C146-C213 WeakPolarHBondContact SG-CB 3.19Å; C146-C213 CovalentContact SG-SG 2.03Å; C146-C213 PolarHBondContact SG-SG 2.99Å; E164-C213 CarbonylContact O-C 3.6Å; E164-C213 WeakPolarHBondContact O-CA 3.41Å; W165-C213 HydrophobicContact CD2-CB 4.37Å; W165-C213 HydrophobicContact CE3-CB 4.15Å; W165-C213 HydrophobicContact CH2-CB 4.22Å; W165-C213 HydrophobicContact CZ2-CB 4.4Å; W165-C213 HydrophobicContact CZ3-CB 4.08Å; C213-F277 CarbonylContact O-C 3.46Å; C213-F277 WeakPolarHBondContact O-CA 3.49Å; C213-F277 WeakPolarHBondContact O-CB 3.32Å; C213-G278 PolarHBondContact N-O 3.3Å; C213-G278 PolarHBondContact O-N 3.4Å
214	L	91.6	Very high	78.8	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.8	-176.3	-174.3	75.6	0	0	0	110.2	Y98 L163 E164 Y166 R216 I275 F277	Y98-L214 HydrophobicContact CD1-CD1 3.67Å; Y98-L214 HydrophobicContact CD1-CD2 4.33Å; Y98-L214 HydrophobicContact CD2-CD1 3.69Å; Y98-L214 HydrophobicContact CE1-CD1 3.76Å; Y98-L214 HydrophobicContact CE1-CD2 3.56Å; Y98-L214 HydrophobicContact CE1-CG 4.31Å; Y98-L214 HydrophobicContact CE2-CD1 3.77Å; Y98-L214 HydrophobicContact CE2-CD2 4.01Å; Y98-L214 HydrophobicContact CE2-CG 4.42Å; Y98-L214 HydrophobicContact CG-CD1 3.63Å; Y98-L214 WeakPolarHBondContact OH-CD2 3.39Å; L163-L214 WeakPolarHBondContact CA-O 3.5Å; E164-L214 PolarHBondContact N-O 3.23Å; E164-L214 PolarHBondContact O-N 3.11Å; Y166-L214 HydrophobicContact CD2-CB 4.18Å; Y166-L214 HydrophobicContact CE2-CB 4.08Å; Y166-L214 HydrophobicContact CE2-CD2 3.78Å; L214-R216 HydrophobicContact CD2-CG 4.14Å; L214-R216 HydrophobicContact CG-CG 4.5Å; L214-I275 HydrophobicContact CD1-CG2 3.43Å; L214-I275 VanDerWaalsContact CD1-CG2 3.43Å; L214-I275 HydrophobicContact CG-CG2 4.29Å; L214-F277 HydrophobicContact CD1-CB 3.87Å
215	E	89.2	Confident	75.9	Confident	7 Å²	7	65.4 Å²	65.4	3%	0.033	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.5	172	-174.6	-165	-176.1	0	0	111	R126 L128 F150 I161 L163 M276	R126-E215 WeakPolarHBondContact CD-OE2 3.47Å; R126-E215 IonicContact CZ-OE1 2.69Å; R126-E215 IonicContact CZ-OE2 3.82Å; R126-E215 IonicContact NE-OE1 3.49Å; R126-E215 IonicContact NE-OE2 3.18Å; R126-E215 PolarHBondContact NE-OE2 3.08Å; R126-E215 IonicContact NH1-OE1 3.7Å; R126-E215 PolarHBondContact NH1-OE1 3.26Å; R126-E215 IonicContact NH1-OE2 2.67Å; R126-E215 PolarHBondContact NH1-OE2 3.15Å; R126-E215 IonicContact NH2-OE2 3.2Å; L128-E215 HydrophobicContact CD2-CB 4.17Å; F150-E215 WeakPolarHBondContact CE1-OE1 3.26Å; F150-E215 WeakPolarHBondContact CZ-OE1 3.42Å; I161-E215 HydrophobicContact CG2-CG 3.96Å; L163-E215 HydrophobicContact CD2-CB 4Å; L163-E215 HydrophobicContact CD2-CG 4.17Å; E215-M276 PolarHBondContact N-O 2.6Å
216	R	83.1	Confident	73.4	Confident	80 Å²	80	68.1 Å²	68.1	30%	0.302	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.4	169	-62.8	-156.1	-173.5	-141.6	-3.8	110.6	I161 L162 E164 Y166 L214	I161-R216 CarbonylContact C-O 3.6Å; I161-R216 WeakPolarHBondContact CA-O 3.47Å; L162-R216 PolarHBondContact N-O 3.49Å; L162-R216 PolarHBondContact O-N 2.89Å; E164-R216 IonicContact OE1-NE 3.74Å; E164-R216 VanDerWaalsContact OE2-CD 3.26Å; E164-R216 WeakPolarHBondContact OE2-CD 3.23Å; E164-R216 IonicContact OE2-CZ 2.86Å; E164-R216 IonicContact OE2-NE 2.77Å; E164-R216 PolarHBondContact OE2-NE 2.85Å; E164-R216 IonicContact OE2-NH2 2.69Å; Y166-R216 PolarHBondContact OH-NH2 2.86Å; L214-R216 HydrophobicContact CD2-CG 4.14Å; L214-R216 HydrophobicContact CG-CG 4.5Å
217	Y	76.8	Confident	70.4	Confident	57 Å²	57	70.6 Å²	70.6	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.9	174.6	57	-69.2	0	0	0	108.1	Y159 E160 I232	Y159-Y217 HydrophobicContact CD1-CD2 4.15Å; Y159-Y217 HydrophobicContact CE1-CD2 4.47Å; E160-Y217 WeakPolarHBondContact O-CA 3.42Å; Y217-I232 HydrophobicContact CD2-CD1 3.31Å; Y217-I232 HydrophobicContact CE2-CB 4.43Å; Y217-I232 HydrophobicContact CE2-CD1 2.98Å; Y217-I232 HydrophobicContact CE2-CG1 4.22Å; Y217-I232 HydrophobicContact CE2-CG2 4.33Å; Y217-I232 HydrophobicContact CG-CD1 4.36Å
218	K	69.2	Low	67.7	Low	83 Å²	83	73.4 Å²	73.4	36%	0.361	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.3	169.9	62.4	178.3	178.6	174.2	0	108.4	Y159 E160 L162 T220	Y159-K218 CarbonylContact C-O 3.55Å; Y159-K218 WeakPolarHBondContact CA-O 3.49Å; E160-K218 HydrophobicContact CB-CG 3.88Å; E160-K218 PolarHBondContact N-O 3.43Å; E160-K218 PolarHBondContact O-N 3.22Å; E160-K218 WeakPolarHBondContact OE1-CE 2.94Å; E160-K218 IonicContact OE1-NZ 3.65Å; E160-K218 PolarHBondContact OE1-NZ 2.77Å; E160-K218 WeakPolarHBondContact OE2-CE 3.5Å; E160-K218 IonicContact OE2-NZ 3.25Å; E160-K218 PolarHBondContact OE2-NZ 3.37Å; L162-K218 HydrophobicContact CD1-CD 3.91Å; L162-K218 HydrophobicContact CD1-CG 4.32Å; K218-T220 PolarHBondContact O-N 3.19Å
219	P	64.5	Low	64.9	Low	52 Å²	52	76.1 Å²	76.1	34%	0.338	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	138.3	169.5	24.3	-30.9	0	0	0	109.1	Y159 K221	Y159-P219 HydrophobicContact CD1-CB 4.48Å; Y159-P219 HydrophobicContact CE1-CB 4.47Å; P219-K221 PolarHBondContact O-N 2.88Å
220	T	65.1	Low	62.3	Low	63 Å²	63	81 Å²	81	39%	0.387	41%	0.408	S	S	.	.			trans	-64.7	119.4	175.3	-50.5	0	0	0	0	107.1	G158 K218 N222	G158-T220 VanDerWaalsContact O-CB 3.32Å; G158-T220 WeakPolarHBondContact O-CB 3.5Å; G158-T220 PolarHBondContact O-N 2.87Å; G158-T220 PolarHBondContact O-OG1 2.95Å; K218-T220 PolarHBondContact O-N 3.19Å; T220-N222 PolarHBondContact O-N 3.01Å
221	K	58.5	Low	59.9	Low	138 Å²	138	84 Å²	84	60%	0.6	43%	0.428	S	S	*	.			trans	-65.4	97.8	174.9	-76.1	-173.7	174.6	-174.4	0	107.7	P219 N223 D227	P219-K221 PolarHBondContact O-N 2.88Å; K221-N223 PolarHBondContact O-N 2.99Å; K221-D227 IonicContact NZ-OD1 2.8Å; K221-D227 PolarHBondContact NZ-OD1 3.26Å
222	N	51.5	Low	57.3	Low	131 Å²	131	86 Å²	86	70%	0.701	44%	0.439	S	S	*	.			trans	-71	95.6	168	-79.3	-5.9	0	0	0	107.9	T220 T224	T220-N222 PolarHBondContact O-N 3.01Å; N222-T224 PolarHBondContact O-N 2.86Å; N222-T224 PolarHBondContact O-OG1 3.15Å
223	N	40.2	Very low	54.3	Low	171 Å²	171	93.4 Å²	93.4	91%	0.914	47%	0.473	S	S	*	.	S	Bend	trans	23.9	23.1	158.4	-67.7	-2.5	0	0	0	121.9	K221	K221-N223 PolarHBondContact O-N 2.99Å
224	T	39.1	Very low	51.6	Low	121 Å²	121	97.2 Å²	97.2	74%	0.742	49%	0.493	S	S	*	.			trans	-98.6	112.2	166.6	54.7	0	0	0	0	106.8	N222 H226	N222-T224 PolarHBondContact O-N 2.86Å; N222-T224 PolarHBondContact O-OG1 3.15Å; T224-H226 VanDerWaalsContact C-N 3.31Å; T224-H226 PolarHBondContact O-N 2.69Å
225	E	31.8	Very low	48.7	Very low	192 Å²	192	100.3 Å²	100.3	90%	0.897	52%	0.515	S	S	*	.			trans	-46.9	94.3	167.1	-72.9	175.5	135.2	0	0	109.9
226	H	38.6	Very low	46	Very low	140 Å²	140	104.8 Å²	104.8	65%	0.648	54%	0.544	S	S	*	.			trans	-166.5	114.2	157	-112.8	-70.4	0	0	0	108	T224 F228	T224-H226 VanDerWaalsContact C-N 3.31Å; T224-H226 PolarHBondContact O-N 2.69Å; H226-F228 HydrophobicContact CB-CD2 3.73Å; H226-F228 HydrophobicContact CB-CE2 3.5Å; H226-F228 AromaticContact CG-CE2 3.66Å; H226-F228 AromaticContact ND1-CE2 3.59Å; H226-F228 AromaticContact ND1-CZ 3.84Å; H226-F228 PolarHBondContact O-N 2.99Å
227	D	30	Very low	43.6	Very low	138 Å²	138	108.3 Å²	108.3	74%	0.738	57%	0.568	S	S	*	*			trans	-78.1	87.6	-174.7	-144.8	11.4	0	0	0	109.3	K221	K221-D227 IonicContact NZ-OD1 2.8Å; K221-D227 PolarHBondContact NZ-OD1 3.26Å
228	F	35.8	Very low	41.5	Very low	79 Å²	79	113 Å²	113	35%	0.346	59%	0.591	S	S	.	*			trans	-109.3	124.4	175.5	-72	-72	0	0	0	111.4	E109 H226 H230	E109-F228 WeakPolarHBondContact OE1-CE1 3.02Å; H226-F228 HydrophobicContact CB-CD2 3.73Å; H226-F228 HydrophobicContact CB-CE2 3.5Å; H226-F228 AromaticContact CG-CE2 3.66Å; H226-F228 AromaticContact ND1-CE2 3.59Å; H226-F228 AromaticContact ND1-CZ 3.84Å; H226-F228 PolarHBondContact O-N 2.99Å; F228-H230 PolarHBondContact O-N 3.46Å
229	P	33.8	Very low	39.8	Very low	104 Å²	104	118.1 Å²	118.1	68%	0.675	61%	0.613	S	S	*	*			trans	-76.1	107.1	168.5	29.6	-29.2	0	0	0	108.6
230	H	36.9	Very low	38.2	Very low	111 Å²	111	120 Å²	120	51%	0.514	63%	0.628	S	S	.	*			trans	-108.8	121	178	-74.2	-17.6	0	0	0	112	F228	F228-H230 PolarHBondContact O-N 3.46Å
231	V	41.6	Very low	36.5	Very low	89 Å²	89	124.7 Å²	124.7	54%	0.539	65%	0.65	S	S	.	*			trans	-113.1	137.6	172.5	179.4	0	0	0	0	108.4	V102	V102-V231 HydrophobicContact CB-CG1 3.86Å; V102-V231 HydrophobicContact CG1-CG1 3.5Å; V102-V231 VanDerWaalsContact CG1-CG1 3.5Å; V102-V231 HydrophobicContact CG2-CG1 4.48Å
232	I	37.9	Very low	35	Very low	46 Å²	46	125.5 Å²	125.5	24%	0.236	66%	0.66	C	S	.	*			trans	-77.3	132.6	-168.5	-68.2	164.9	0	0	0	110.3	Y159 Y217 L234	Y159-I232 HydrophobicContact CE1-CD1 4.32Å; Y217-I232 HydrophobicContact CD2-CD1 3.31Å; Y217-I232 HydrophobicContact CE2-CB 4.43Å; Y217-I232 HydrophobicContact CE2-CD1 2.98Å; Y217-I232 HydrophobicContact CE2-CG1 4.22Å; Y217-I232 HydrophobicContact CE2-CG2 4.33Å; Y217-I232 HydrophobicContact CG-CD1 4.36Å; I232-L234 PolarHBondContact O-N 3.45Å
233	H	31.1	Very low	34	Very low	158 Å²	158	124.1 Å²	124.1	73%	0.731	66%	0.66	S	S	*	*			trans	-66.8	105.2	-175.4	-161	-85.4	0	0	0	110.7	S235 R274	H233-S235 PolarHBondContact O-N 3.3Å; H233-R274 PolarHBondContact O-NH1 2.89Å
234	L	38.3	Very low	33.4	Very low	80 Å²	80	121.6 Å²	121.6	42%	0.419	65%	0.652	S	S	.	*			trans	-83.8	86.7	173.2	-67.8	164.8	0	0	0	108.8	I232 P236 R274	I232-L234 PolarHBondContact O-N 3.45Å; L234-P236 WeakPolarHBondContact O-CD 3.26Å; L234-R274 HydrophobicContact CD2-CB 4.44Å; L234-R274 HydrophobicContact CD2-CG 4.28Å
235	S	30.8	Very low	33.1	Very low	67 Å²	67	123.1 Å²	123.1	47%	0.469	66%	0.655	S	S	.	*			trans	-65.9	123.9	169.2	42.8	0	0	0	0	110.1	H233 I237	H233-S235 PolarHBondContact O-N 3.3Å; S235-I237 PolarHBondContact O-N 3.44Å
236	P	31.5	Very low	32.9	Very low	100 Å²	100	125.5 Å²	125.5	65%	0.649	66%	0.656	S	S	*	*			trans	-74.4	123	171	7.6	5.1	0	0	0	108.7	L234 H238	L234-P236 WeakPolarHBondContact O-CD 3.26Å; P236-H238 PolarHBondContact O-N 3.34Å
237	I	33.6	Very low	32.6	Very low	154 Å²	154	127 Å²	127	79%	0.79	67%	0.667	S	S	*	*			trans	-71.9	85.4	166.8	-57.1	173.6	0	0	0	107.3	S235 K239	S235-I237 PolarHBondContact O-N 3.44Å; I237-K239 PolarHBondContact O-N 2.82Å
238	H	32.8	Very low	32.6	Very low	156 Å²	156	128.1 Å²	128.1	72%	0.722	67%	0.668	S	S	*	*			trans	-78.2	104	162.7	-93.3	-87.9	0	0	0	108.3	P236 S240	P236-H238 PolarHBondContact O-N 3.34Å; H238-S240 VanDerWaalsContact C-N 3.31Å; H238-S240 PolarHBondContact O-N 3.16Å
239	K	33.3	Very low	32.3	Very low	190 Å²	190	130.1 Å²	130.1	83%	0.826	68%	0.682	S	S	*	*			trans	-83.7	85.8	148.9	-76.1	-172.2	177.4	-175.4	0	107.3	I237 L241	I237-K239 PolarHBondContact O-N 2.82Å; K239-L241 PolarHBondContact O-N 2.77Å
240	S	29.8	Very low	32	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	68%	0.682	S	S	*	*			trans	-75.5	101.8	160.9	55.6	0	0	0	0	108	H238	H238-S240 VanDerWaalsContact C-N 3.31Å; H238-S240 PolarHBondContact O-N 3.16Å
241	L	28.8	Very low	31.9	Very low	160 Å²	160	134.6 Å²	134.6	84%	0.838	70%	0.698	S	S	*	*			trans	-108.4	76.3	154.2	-83.6	155.6	0	0	0	106	K239	K239-L241 PolarHBondContact O-N 2.77Å
242	L	26.9	Very low	31.2	Very low	156 Å²	156	138.2 Å²	138.2	82%	0.817	71%	0.713	S	S	*	*			trans	-88.4	98.5	149.8	-99.8	97.4	0	0	0	105.1
243	S	31.4	Very low	31	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	73%	0.734	S	S	*	*			trans	-102.6	100.3	152.3	61.4	0	0	0	0	106.3	D245	S243-D245 PolarHBondContact O-N 3.32Å
244	T	28	Very low	30.9	Very low	119 Å²	119	141 Å²	141	73%	0.73	74%	0.738	S	S	*	*			trans	-65.2	111.4	159.5	36.2	0	0	0	0	108.1
245	D	32	Very low	30.2	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	75%	0.753	S	S	*	*			trans	-136.4	105.3	152	-90.4	-35.7	0	0	0	108.4	S243	S243-D245 PolarHBondContact O-N 3.32Å
246	R	27.6	Very low	30.3	Very low	243 Å²	243	144.7 Å²	144.7	92%	0.917	77%	0.771	S	S	*	*			trans	-77.7	121.1	157.5	-82.6	176.3	168.7	167	-4.5	105.7
247	I	32.6	Very low	30.1	Very low	170 Å²	170	147.8 Å²	147.8	87%	0.872	78%	0.78	S	S	*	*			trans	-154.4	139.4	140.3	-88.7	133.5	0	0	0	108
248	Q	29.7	Very low	29.7	Very low	163 Å²	163	144.8 Å²	144.8	76%	0.762	77%	0.773	S	S	*	*			trans	-70.8	159.8	-169	-112.7	165.4	-51.6	0	0	114.7
249	N	29.2	Very low	29.6	Very low	121 Å²	121	146.2 Å²	146.2	65%	0.647	78%	0.777	S	S	*	*			trans	90.2	110.3	144.8	-59.5	-13.7	0	0	0	120.2
250	N	29.2	Very low	29.4	Very low	127 Å²	127	144.9 Å²	144.9	68%	0.679	78%	0.779	S	S	*	*				79.4	129.3	123.9	-64.7	-0.4	0	0	0	121.2
251	H	34.3	Very low	29.4	Very low	182 Å²	182	150.7 Å²	150.7	84%	0.843	79%	0.786	S	S	*	*			trans	88.5	109	160.5	-58.8	-68.2	0	0	0	119.2
252	L	27	Very low	29.2	Very low	165 Å²	165	149 Å²	149	86%	0.864	79%	0.785	S	S	*	*			trans	-73	174.2	154.1	-78.8	143.4	0	0	0	110.2
253	P	32.4	Very low	29.4	Very low	102 Å²	102	148.7 Å²	148.7	66%	0.662	78%	0.783	S	S	*	*				-129.3	-177	-53.1	35.3	-17.3	0	0	0	110.5
254	I	29.5	Very low	29.2	Very low	160 Å²	160	148.5 Å²	148.5	82%	0.821	78%	0.782	S	S	*	*			trans	157.5	136.6	139.7	-78	155.8	0	0	0	110.8
255	S	24.4	Very low	29.2	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	78%	0.779	S	S	*	*			trans	-60.7	145.9	-176.9	56.8	0	0	0	0	116
256	S	31.7	Very low	29	Very low	121 Å²	121	147 Å²	147	85%	0.846	78%	0.782	S	S	*	*			trans	-153.1	131.8	139.2	53	0	0	0	0	112.1
257	I	27.7	Very low	29	Very low	165 Å²	165	140 Å²	140	85%	0.846	77%	0.77	S	S	*	*			trans	-70.9	138.5	177.9	-75.8	155.9	0	0	0	108.9
258	S	26.1	Very low	29	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	76%	0.761	S	S	*	*				163	139.7	87.7	-172.7	0	0	0	0	109.8
259	K	30	Very low	28.9	Very low	186 Å²	186	137.3 Å²	137.3	81%	0.809	77%	0.768	S	S	*	*				155.2	108.4	124.4	-82.8	171.1	-173.8	179	0	111.6
260	N	28.8	Very low	28.9	Very low	162 Å²	162	136.3 Å²	136.3	87%	0.866	77%	0.766	S	S	*	*			trans	44.9	93.1	142.7	-59.8	-7.5	0	0	0	118.3
261	R	29.4	Very low	28.9	Very low	214 Å²	214	134.8 Å²	134.8	81%	0.808	76%	0.763	S	S	*	*			trans	-141.2	125.5	151.3	-156.2	174.7	-166.6	-172.4	4.4	109.2	L263	R261-L263 HydrophobicContact CB-CD1 4.35Å; R261-L263 HydrophobicContact CG-CD1 4.27Å; R261-L263 PolarHBondContact O-N 2.74Å; R261-L263 VanDerWaalsContact O-N 3.08Å
262	P	26.1	Very low	29	Very low	124 Å²	124	132.4 Å²	132.4	81%	0.805	76%	0.761	S	S	*	*			trans	-73.7	102.5	172.1	29	-27.7	0	0	0	107.1	S264	P262-S264 VanDerWaalsContact C-N 3.27Å; P262-S264 PolarHBondContact O-N 2.8Å
263	L	29.6	Very low	30	Very low	151 Å²	151	128.1 Å²	128.1	79%	0.791	75%	0.745	S	S	*	*			trans	-79.1	87.1	172.6	-114.7	78	0	0	0	109.6	R261	R261-L263 HydrophobicContact CB-CD1 4.35Å; R261-L263 HydrophobicContact CG-CD1 4.27Å; R261-L263 PolarHBondContact O-N 2.74Å; R261-L263 VanDerWaalsContact O-N 3.08Å
264	S	28.2	Very low	31.6	Very low	96 Å²	96	126 Å²	126	67%	0.671	72%	0.724	S	S	*	*			trans	4.9	118.5	139.3	-169.4	0	0	0	0	116.5	P262	P262-S264 VanDerWaalsContact C-N 3.27Å; P262-S264 PolarHBondContact O-N 2.8Å
265	S	28.6	Very low	33.7	Very low	95 Å²	95	120.7 Å²	120.7	66%	0.664	70%	0.697	S	S	*	*			trans	46.2	102.1	143.6	62.1	0	0	0	0	118.2	S267	S265-S267 VanDerWaalsContact C-N 3.34Å; S265-S267 PolarHBondContact O-N 3.14Å
266	T	27.2	Very low	36.5	Very low	144 Å²	144	118 Å²	118	88%	0.883	67%	0.674	S	S	*	*			trans	-45.2	97.6	146.9	-28.7	0	0	0	0	108.9	P268	T266-P268 VanDerWaalsContact O-CD 3.29Å; T266-P268 WeakPolarHBondContact O-CD 3.5Å
267	S	27.2	Very low	39.3	Very low	96 Å²	96	114.8 Å²	114.8	67%	0.671	64%	0.644	S	S	*	*			trans	-65.8	116.4	173.4	177	0	0	0	0	108	S265 L269	S265-S267 VanDerWaalsContact C-N 3.34Å; S265-S267 PolarHBondContact O-N 3.14Å; S267-L269 PolarHBondContact O-N 3.38Å
268	P	32.2	Very low	42.3	Very low	104 Å²	104	107.3 Å²	107.3	68%	0.675	61%	0.608	S	S	*	*			trans	-66.7	128.8	174.9	28.3	-30.8	0	0	0	107.8	T266 V270	T266-P268 VanDerWaalsContact O-CD 3.29Å; T266-P268 WeakPolarHBondContact O-CD 3.5Å; P268-V270 PolarHBondContact O-N 2.87Å
269	L	27.8	Very low	45.4	Very low	174 Å²	174	108 Å²	108	91%	0.911	60%	0.597	S	S	*	*			trans	-53.4	106.2	174.3	-81.4	93.7	0	0	0	109.3	S267	S267-L269 PolarHBondContact O-N 3.38Å
270	V	29.9	Very low	48.5	Very low	100 Å²	100	99.9 Å²	99.9	61%	0.606	56%	0.562	S	S	*	*			trans	-68.8	127.3	171.9	-180	0	0	0	0	107.8	P268 T272	P268-V270 PolarHBondContact O-N 2.87Å; V270-T272 PolarHBondContact O-N 3.37Å
271	P	28	Very low	51.6	Low	94 Å²	94	97.1 Å²	97.1	61%	0.61	54%	0.544	S	S	*	.			trans	-64.4	107.1	174.2	-15	28.3	0	0	0	109.2	S273	P271-S273 PolarHBondContact O-N 2.8Å
272	T	36.9	Very low	54.7	Low	132 Å²	132	87 Å²	87	81%	0.81	51%	0.506	S	S	*	.			trans	-79.6	5.3	-176.3	44.9	0	0	0	0	114.3	V270 R274	V270-T272 PolarHBondContact O-N 3.37Å; T272-R274 PolarHBondContact O-N 2.78Å
273	S	49.5	Very low	58	Low	76 Å²	76	85 Å²	85	53%	0.531	49%	0.485	S	S	.	.			trans	-90.8	101.1	-177.2	53.6	0	0	0	0	111.5	P271 I275	P271-S273 PolarHBondContact O-N 2.8Å; S273-I275 PolarHBondContact O-N 2.94Å
274	R	64.7	Low	61.1	Low	56 Å²	56	78.3 Å²	78.3	21%	0.211	45%	0.45	C	S	.	.	S	Bend	trans	-68.7	-11.1	176	-57.3	-161.8	-159.3	174.1	2.9	114.1	D119 L123 R126 H233 L234 T272	D119-R274 IonicContact OD2-CZ 3.98Å; D119-R274 IonicContact OD2-NH1 2.79Å; D119-R274 PolarHBondContact OD2-NH1 3.28Å; L123-R274 HydrophobicContact CD1-CG 4.16Å; R126-R274 PolarHBondContact NH2-O 3.01Å; H233-R274 PolarHBondContact O-NH1 2.89Å; L234-R274 HydrophobicContact CD2-CB 4.44Å; L234-R274 HydrophobicContact CD2-CG 4.28Å; T272-R274 PolarHBondContact O-N 2.78Å
275	I	73.2	Confident	64.2	Low	49 Å²	49	74.2 Å²	74.2	25%	0.251	42%	0.421	S	S	.	.			trans	-116.1	134.3	177.8	-59.4	174.2	0	0	0	108.2	Y98 L214 S273	Y98-I275 HydrophobicContact CD1-CD1 4.37Å; Y98-I275 HydrophobicContact CD1-CG2 4.04Å; Y98-I275 HydrophobicContact CG-CG2 4.48Å; L214-I275 HydrophobicContact CD1-CG2 3.43Å; L214-I275 VanDerWaalsContact CD1-CG2 3.43Å; L214-I275 HydrophobicContact CG-CG2 4.29Å; S273-I275 PolarHBondContact O-N 2.94Å
276	M	84.4	Confident	67.1	Low	49 Å²	49	70.8 Å²	70.8	24%	0.241	40%	0.395	C	S	.	.			trans	-115.6	146.1	168	-66.6	-165.5	77.8	0	0	110.3	R126 L128 E215	R126-M276 HydrophobicContact CB-SD 4.28Å; R126-M276 HydrophobicContact CG-SD 3.52Å; R126-M276 VanDerWaalsContact CG-SD 3.52Å; R126-M276 PolarHBondContact NE-SD 2.9Å; R126-M276 VanDerWaalsContact NE-SD 3.43Å; R126-M276 WeakPolarHBondContact O-CE 3.46Å; R126-M276 VanDerWaalsContact O-SD 3.38Å; L128-M276 HydrophobicContact CB-CB 4.24Å; L128-M276 HydrophobicContact CD2-CB 4.32Å; L128-M276 WeakPolarHBondContact CD2-O 3.46Å; E215-M276 PolarHBondContact N-O 2.6Å
277	F	89.6	Confident	69.8	Low	52 Å²	52	67.2 Å²	67.2	23%	0.228	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.1	172.6	68.6	-82.3	0	0	0	108.8	L60 D96 L128 I212 C213 L214	L60-F277 HydrophobicContact CD1-CD1 4.36Å; L60-F277 HydrophobicContact CD1-CD2 4.12Å; L60-F277 HydrophobicContact CD1-CE1 3.88Å; L60-F277 HydrophobicContact CD1-CE2 3.6Å; L60-F277 HydrophobicContact CD1-CG 4.48Å; L60-F277 HydrophobicContact CD1-CZ 3.49Å; L60-F277 VanDerWaalsContact CD1-CZ 3.49Å; L60-F277 HydrophobicContact CD2-CD2 4.38Å; L60-F277 HydrophobicContact CD2-CE2 3.98Å; L60-F277 HydrophobicContact CG-CE2 4.5Å; D96-F277 HydrophobicContact CB-CE2 4.49Å; D96-F277 HydrophobicContact CB-CZ 3.86Å; L128-F277 VanDerWaalsContact CD2-C 3.48Å; I212-F277 HydrophobicContact CG2-CB 4Å; I212-F277 HydrophobicContact CG2-CD2 4.29Å; C213-F277 CarbonylContact O-C 3.46Å; C213-F277 WeakPolarHBondContact O-CA 3.49Å; C213-F277 WeakPolarHBondContact O-CB 3.32Å; L214-F277 HydrophobicContact CD1-CB 3.87Å
278	G	90.9	Very high	72.4	Confident	8 Å²	8	66.5 Å²	66.5	8%	0.082	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	158.6	165.3	0	0	0	0	0	108.5	V130 I212 C213	V130-G278 VanDerWaalsContact CG2-C 3.47Å; I212-G278 CarbonylContact C-O 3.59Å; I212-G278 WeakPolarHBondContact CA-O 3.36Å; C213-G278 PolarHBondContact N-O 3.3Å; C213-G278 PolarHBondContact O-N 3.4Å
279	R	92.1	Very high	74.5	Confident	106 Å²	106	68 Å²	68	40%	0.4	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.6	178.8	64.4	171.7	179.6	-156.9	-8.6	112.4	D96 Q210 W211 I212	D96-R279 IonicContact OD2-CZ 2.79Å; D96-R279 IonicContact OD2-NH1 3.67Å; D96-R279 PolarHBondContact OD2-NH1 3.47Å; D96-R279 IonicContact OD2-NH2 3.39Å; D96-R279 PolarHBondContact OD2-NH2 2.81Å; Q210-R279 HydrophobicContact CG-CB 4.21Å; W211-R279 CarbonylContact O-C 3.57Å; W211-R279 WeakPolarHBondContact O-CA 3.47Å; W211-R279 WeakPolarHBondContact O-CB 3.28Å; I212-R279 HydrophobicContact CG1-CB 4.21Å
280	I	93.6	Very high	76.3	Confident	15 Å²	15	62.7 Å²	62.7	8%	0.077	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	141.1	171	-172	167.3	0	0	0	108.9	V130 R134 L144 W211 V282	V130-I280 HydrophobicContact CB-CB 4.43Å; V130-I280 HydrophobicContact CB-CG2 4.5Å; V130-I280 HydrophobicContact CG1-CB 3.78Å; V130-I280 HydrophobicContact CG1-CG2 3.42Å; V130-I280 VanDerWaalsContact CG1-CG2 3.42Å; R134-I280 HydrophobicContact CG-CD1 4.47Å; R134-I280 HydrophobicContact CG-CG1 4.49Å; L144-I280 HydrophobicContact CD1-CG2 3.84Å; L144-I280 HydrophobicContact CD2-CD1 4.33Å; L144-I280 HydrophobicContact CD2-CG2 4.1Å; W211-I280 HydrophobicContact CB-CG2 3.84Å; W211-I280 PolarHBondContact N-O 3.24Å; W211-I280 PolarHBondContact O-N 3.1Å; I280-V282 HydrophobicContact CG1-CG2 4.42Å; I280-V282 HydrophobicContact CG2-CG2 4.16Å
281	E	94.1	Very high	78	Confident	105 Å²	105	61.8 Å²	61.8	49%	0.491	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.5	171	-160.2	68.2	-153.1	0	0	108.3	G209 Q210	G209-E281 WeakPolarHBondContact CA-OE1 3.1Å; Q210-E281 WeakPolarHBondContact CB-OE2 3.14Å; Q210-E281 PolarHBondContact N-OE1 2.92Å
282	V	95.2	Very high	79.7	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.8	-179.7	-176.2	0	0	0	0	109.3	R134 V136 L142 L144 T208 G209 I280 I284	R134-V282 CarbonylContact O-C 3.58Å; R134-V282 WeakPolarHBondContact O-CA 3.32Å; V136-V282 HydrophobicContact CG2-CG1 4Å; L142-V282 HydrophobicContact CD1-CG1 4.46Å; L142-V282 HydrophobicContact CD2-CG1 4Å; L144-V282 HydrophobicContact CD1-CG2 4.24Å; L144-V282 HydrophobicContact CD2-CG2 4.09Å; T208-V282 CarbonylContact C-O 3.53Å; T208-V282 WeakPolarHBondContact CA-O 3.5Å; G209-V282 PolarHBondContact N-O 3.37Å; G209-V282 PolarHBondContact O-N 3.13Å; I280-V282 HydrophobicContact CG1-CG2 4.42Å; I280-V282 HydrophobicContact CG2-CG2 4.16Å; V282-I284 HydrophobicContact CG1-CD1 3.87Å
283	E	96	Very high	80.8	Confident	81 Å²	81	57.7 Å²	57.7	38%	0.379	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.8	174.9	-171.7	177.2	179	0	0	110.1	R134 I135 V136 I285 Y293	R134-E283 PolarHBondContact O-N 2.82Å; I135-E283 WeakPolarHBondContact CA-O 3.5Å; V136-E283 PolarHBondContact N-O 3.45Å; E283-I285 HydrophobicContact CG-CG1 4.2Å; E283-Y293 PolarHBondContact OE1-OH 3.47Å
284	I	94.3	Very high	81.2	Confident	11 Å²	11	58.8 Å²	58.8	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.8	175.6	-50.5	-53.8	0	0	0	109.3	V136 Y138 L142 A203 S204 D207 T208 V282	V136-I284 HydrophobicContact CB-CD1 3.63Å; V136-I284 HydrophobicContact CG1-CD1 4.1Å; V136-I284 HydrophobicContact CG2-CD1 4.28Å; V136-I284 CarbonylContact O-C 3.57Å; V136-I284 VanDerWaalsContact O-CA 3.28Å; V136-I284 WeakPolarHBondContact O-CA 3Å; Y138-I284 HydrophobicContact CD2-CG2 4.48Å; L142-I284 HydrophobicContact CD2-CD1 4.49Å; A203-I284 HydrophobicContact CB-CD1 3.85Å; A203-I284 HydrophobicContact CB-CG1 4.43Å; A203-I284 HydrophobicContact CB-CG2 4.33Å; S204-I284 VanDerWaalsContact O-CG1 3.26Å; S204-I284 WeakPolarHBondContact O-CG1 3.31Å; D207-I284 HydrophobicContact CB-CG1 4.12Å; T208-I284 WeakPolarHBondContact OG1-CB 3.4Å; T208-I284 PolarHBondContact OG1-N 3.34Å; T208-I284 VanDerWaalsContact OG1-N 3.1Å; V282-I284 HydrophobicContact CG1-CD1 3.87Å
285	I	93	Very high	80.5	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.3	-175.6	-56.8	-179.4	0	0	0	110	I135 V136 Y137 Y138 E283 Y293	I135-I285 HydrophobicContact CG2-CD1 3.35Å; I135-I285 HydrophobicContact CG2-CG1 4.02Å; V136-I285 PolarHBondContact O-N 3.36Å; Y137-I285 WeakPolarHBondContact CA-O 3.46Å; Y137-I285 HydrophobicContact CD1-CB 4.4Å; Y138-I285 PolarHBondContact N-O 2.87Å; E283-I285 HydrophobicContact CG-CG1 4.2Å; I285-Y293 HydrophobicContact CD1-CD1 3.77Å; I285-Y293 HydrophobicContact CD1-CD2 4.42Å; I285-Y293 HydrophobicContact CD1-CE1 3.58Å; I285-Y293 HydrophobicContact CD1-CE2 4.23Å; I285-Y293 HydrophobicContact CD1-CG 4.18Å; I285-Y293 HydrophobicContact CG2-CD2 3.98Å; I285-Y293 HydrophobicContact CG2-CE2 4.41Å; I285-Y293 HydrophobicContact CG2-CG 4.11Å
286	D	90	Very high	79.3	Confident	24 Å²	24	65.7 Å²	65.7	13%	0.128	33%	0.332	C	S	.	.			trans	-95.6	99.7	167.1	-171.2	-7.3	0	0	0	110.3	Y138 S288 K289 D290	Y138-D286 HydrophobicContact CG-CB 4.25Å; D286-S288 PolarHBondContact O-N 3.04Å; D286-S288 VanDerWaalsContact O-N 3.11Å; D286-S288 VanDerWaalsContact OD1-CB 3.3Å; D286-S288 WeakPolarHBondContact OD1-CB 3.17Å; D286-S288 PolarHBondContact OD1-N 3.02Å; D286-S288 PolarHBondContact OD1-OG 2.76Å; D286-S288 PolarHBondContact OD2-OG 2.93Å; D286-K289 HydrophobicContact CB-CB 4.42Å; D286-K289 HydrophobicContact CB-CD 4.31Å; D286-K289 HydrophobicContact CB-CG 4.3Å; D286-K289 PolarHBondContact O-N 2.83Å; D286-K289 WeakPolarHBondContact OD2-CE 3.37Å; D286-D290 PolarHBondContact O-N 2.86Å
287	I	83.2	Confident	77.4	Confident	69 Å²	69	68.8 Å²	68.8	35%	0.354	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.2	179.4	-53.5	168.5	0	0	0	111.4	Y137 K289 D290 I294	Y137-I287 HydrophobicContact CD1-CD1 3.6Å; Y137-I287 HydrophobicContact CD1-CG1 3.78Å; Y137-I287 HydrophobicContact CE1-CD1 3.53Å; Y137-I287 HydrophobicContact CE1-CG1 3.82Å; Y137-I287 HydrophobicContact CG-CD1 4.41Å; I287-K289 VanDerWaalsContact C-N 3.27Å; I287-K289 PolarHBondContact O-N 3.04Å; I287-D290 CarbonylContact O-C 3.55Å; I287-I294 HydrophobicContact CG2-CD1 3.74Å; I287-I294 HydrophobicContact CG2-CG1 3.95Å
288	S	81.5	Confident	75	Confident	81 Å²	81	71.1 Å²	71.1	57%	0.566	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.2	178.3	74.9	0	0	0	0	113.1	D286	D286-S288 PolarHBondContact O-N 3.04Å; D286-S288 VanDerWaalsContact O-N 3.11Å; D286-S288 VanDerWaalsContact OD1-CB 3.3Å; D286-S288 WeakPolarHBondContact OD1-CB 3.17Å; D286-S288 PolarHBondContact OD1-N 3.02Å; D286-S288 PolarHBondContact OD1-OG 2.76Å; D286-S288 PolarHBondContact OD2-OG 2.93Å
289	K	77.4	Confident	72.2	Confident	134 Å²	134	77.3 Å²	77.3	58%	0.583	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-30.7	177.6	-65.6	-176.6	-172.7	179.3	0	112.7	E205 D286 I287	E205-K289 VanDerWaalsContact OE1-CD 3.26Å; E205-K289 WeakPolarHBondContact OE1-CD 3.48Å; E205-K289 VanDerWaalsContact OE1-CE 3.3Å; E205-K289 WeakPolarHBondContact OE1-CE 3.42Å; E205-K289 IonicContact OE1-NZ 3.68Å; E205-K289 PolarHBondContact OE1-NZ 2.78Å; E205-K289 IonicContact OE2-NZ 2.99Å; E205-K289 PolarHBondContact OE2-NZ 2.8Å; D286-K289 HydrophobicContact CB-CB 4.42Å; D286-K289 HydrophobicContact CB-CD 4.31Å; D286-K289 HydrophobicContact CB-CG 4.3Å; D286-K289 PolarHBondContact O-N 2.83Å; D286-K289 WeakPolarHBondContact OD2-CE 3.37Å; I287-K289 VanDerWaalsContact C-N 3.27Å; I287-K289 PolarHBondContact O-N 3.04Å
290	D	65.5	Low	69.3	Low	63 Å²	63	77 Å²	77	34%	0.337	41%	0.413	S	S	.	.			trans	-134.8	89.8	179.8	-166.9	-5.3	0	0	0	112.6	D286 I287 S292 Y293	D286-D290 PolarHBondContact O-N 2.86Å; I287-D290 CarbonylContact O-C 3.55Å; D290-S292 VanDerWaalsContact CG-OG 3.29Å; D290-S292 PolarHBondContact O-N 2.01Å; D290-S292 WeakPolarHBondContact OD1-CB 3.39Å; D290-S292 PolarHBondContact OD1-N 2.98Å; D290-S292 PolarHBondContact OD1-OG 2.81Å; D290-S292 PolarHBondContact OD2-OG 3.37Å; D290-Y293 HydrophobicContact CB-CD2 4.43Å
291	P	65.6	Low	66.3	Low	82 Å²	82	84.2 Å²	84.2	53%	0.532	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.1	176.4	26.3	-31.9	0	0	0	113.4	Y293 I294	P291-Y293 PolarHBondContact O-N 2.99Å; P291-I294 PolarHBondContact O-N 2.77Å
292	S	64.3	Low	63.4	Low	69 Å²	69	83.5 Å²	83.5	48%	0.483	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.7	-178.1	75.8	0	0	0	0	113	D290 I294 Y295 S296	D290-S292 VanDerWaalsContact CG-OG 3.29Å; D290-S292 PolarHBondContact O-N 2.01Å; D290-S292 WeakPolarHBondContact OD1-CB 3.39Å; D290-S292 PolarHBondContact OD1-N 2.98Å; D290-S292 PolarHBondContact OD1-OG 2.81Å; D290-S292 PolarHBondContact OD2-OG 3.37Å; S292-I294 PolarHBondContact O-N 3.4Å; S292-Y295 PolarHBondContact O-N 3.32Å; S292-Y295 VanDerWaalsContact O-N 3.08Å; S292-S296 PolarHBondContact O-N 2.77Å
293	Y	59.9	Low	60.1	Low	71 Å²	71	93.6 Å²	93.6	28%	0.278	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-21.5	175.9	-99.4	-74	0	0	0	114.4	E283 I285 D290 P291 Y295 S296	E283-Y293 PolarHBondContact OE1-OH 3.47Å; I285-Y293 HydrophobicContact CD1-CD1 3.77Å; I285-Y293 HydrophobicContact CD1-CD2 4.42Å; I285-Y293 HydrophobicContact CD1-CE1 3.58Å; I285-Y293 HydrophobicContact CD1-CE2 4.23Å; I285-Y293 HydrophobicContact CD1-CG 4.18Å; I285-Y293 HydrophobicContact CG2-CD2 3.98Å; I285-Y293 HydrophobicContact CG2-CE2 4.41Å; I285-Y293 HydrophobicContact CG2-CG 4.11Å; D290-Y293 HydrophobicContact CB-CD2 4.43Å; P291-Y293 PolarHBondContact O-N 2.99Å; Y293-Y295 PolarHBondContact O-N 3.15Å; Y293-S296 PolarHBondContact O-OG 2.67Å
294	I	56.4	Low	57.1	Low	98 Å²	98	97.7 Å²	97.7	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-67.2	-30.4	176	-60.5	177.2	0	0	0	110.4	I287 P291 S292	I287-I294 HydrophobicContact CG2-CD1 3.74Å; I287-I294 HydrophobicContact CG2-CG1 3.95Å; P291-I294 PolarHBondContact O-N 2.77Å; S292-I294 PolarHBondContact O-N 3.4Å
295	Y	49.6	Very low	54.2	Low	181 Å²	181	102.7 Å²	102.7	71%	0.71	55%	0.553	S	S	*	*	H	α-helix	trans	-91	-31.8	-175.9	-69.9	-83.3	0	0	0	113.1	S292 Y293 N297 T298	S292-Y295 PolarHBondContact O-N 3.32Å; S292-Y295 VanDerWaalsContact O-N 3.08Å; Y293-Y295 PolarHBondContact O-N 3.15Å; Y295-N297 PolarHBondContact O-N 2.77Å; Y295-T298 PolarHBondContact O-N 2.74Å; Y295-T298 PolarHBondContact O-OG1 3.4Å
296	S	49.8	Very low	51.4	Low	69 Å²	69	109.5 Å²	109.5	48%	0.483	59%	0.588	S	S	.	*	H	α-helix	trans	-71.7	-22.3	-175.5	58.2	0	0	0	0	115	S292 Y293	S292-S296 PolarHBondContact O-N 2.77Å; Y293-S296 PolarHBondContact O-OG 2.67Å
297	N	43.9	Very low	48.7	Very low	114 Å²	114	116.4 Å²	116.4	61%	0.61	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	8.7	176.4	-82.7	-22.5	0	0	0	114.1	Y295	Y295-N297 PolarHBondContact O-N 2.77Å
298	T	39.7	Very low	46.3	Very low	101 Å²	101	118.8 Å²	118.8	62%	0.62	64%	0.642	S	S	*	*			trans	-93.9	-1.8	176.2	53.7	0	0	0	0	114.5	Y295 S300	Y295-T298 PolarHBondContact O-N 2.74Å; Y295-T298 PolarHBondContact O-OG1 3.4Å; T298-S300 PolarHBondContact O-N 3.36Å
299	D	32	Very low	44.2	Very low	138 Å²	138	119.6 Å²	119.6	74%	0.738	64%	0.643	S	S	*	*	S	Bend	trans	-86.8	106	174.7	-83.9	-28.5	0	0	0	112.7
300	S	30.5	Very low	42.4	Very low	100 Å²	100	118.7 Å²	118.7	70%	0.699	65%	0.649	S	S	*	*	S	Bend	trans	29.6	122.6	152.7	66.4	0	0	0	0	120.5	T298	T298-S300 PolarHBondContact O-N 3.36Å
301	N	31.2	Very low	41	Very low	166 Å²	166	125 Å²	125	89%	0.888	67%	0.673	S	S	*	*			trans	94	11.7	157.6	-62.3	-26.5	0	0	0	121
302	S	31.9	Very low	39.8	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	68%	0.676	S	S	*	*			trans	-100.4	103.4	162.4	70.2	0	0	0	0	111.7	F304	S302-F304 PolarHBondContact O-N 3.23Å
303	K	26.7	Very low	38.6	Very low	213 Å²	213	128.3 Å²	128.3	93%	0.926	68%	0.676	S	S	*	*			trans	-64.5	95.7	164.9	-89.7	179	174.8	175.5	0	108.5
304	F	33.2	Very low	37.6	Very low	167 Å²	167	128.4 Å²	128.4	73%	0.732	69%	0.692	S	S	*	*			trans	-121.8	129.8	156.9	-81.2	-77.5	0	0	0	108.9	S302 I306	S302-F304 PolarHBondContact O-N 3.23Å; F304-I306 PolarHBondContact O-N 3.28Å
305	P	33.8	Very low	36.7	Very low	116 Å²	116	132.7 Å²	132.7	75%	0.753	70%	0.703	S	S	*	*			trans	-73	102.8	178.9	29.2	-29.5	0	0	0	108.7	Q307	P305-Q307 VanDerWaalsContact C-N 3.28Å; P305-Q307 PolarHBondContact O-N 3.02Å
306	I	34	Very low	36.5	Very low	153 Å²	153	129.2 Å²	129.2	79%	0.785	70%	0.696	S	S	*	*			trans	-75.2	86.9	163.1	-56	169.7	0	0	0	106.2	F304 V310	F304-I306 PolarHBondContact O-N 3.28Å; I306-V310 HydrophobicContact CG2-CG2 4.49Å
307	Q	32.9	Very low	36.2	Very low	169 Å²	169	132.3 Å²	132.3	79%	0.79	70%	0.698	S	S	*	*			trans	-130.5	123.4	167.8	-82.3	-171.3	-19.3	0	0	110.7	P305	P305-Q307 VanDerWaalsContact C-N 3.28Å; P305-Q307 PolarHBondContact O-N 3.02Å
308	S	33	Very low	36.1	Very low	119 Å²	119	134 Å²	134	83%	0.832	70%	0.7	S	S	*	*	S	Bend	trans	108.6	-0.8	149.7	93.8	0	0	0	0	122.4
309	T	36.3	Very low	36.4	Very low	97 Å²	97	132.5 Å²	132.5	60%	0.595	69%	0.691	S	S	*	*	S	Bend	trans	-116.6	-8.5	178.8	16.3	0	0	0	0	117	K311	T309-K311 PolarHBondContact O-N 2.99Å
310	V	40	Very low	37	Very low	115 Å²	115	133.6 Å²	133.6	70%	0.697	69%	0.689	S	S	*	*	H	α-helix	trans	-74.4	-23.1	-174.4	-174.5	0	0	0	0	113.3	I306 N312	I306-V310 HydrophobicContact CG2-CG2 4.49Å; V310-N312 PolarHBondContact O-N 2.77Å
311	K	37.1	Very low	37.8	Very low	195 Å²	195	136.3 Å²	136.3	85%	0.848	68%	0.684	S	S	*	*	H	α-helix	trans	-77.3	-18.8	-178.8	-79.7	-175.2	175.1	-178.7	0	115.2	T309	T309-K311 PolarHBondContact O-N 2.99Å
312	N	39.1	Very low	38.6	Very low	112 Å²	112	135.1 Å²	135.1	60%	0.599	67%	0.671	S	S	*	*	H	α-helix	trans	-94	-19.1	-177.7	-75.3	-12.3	0	0	0	114.2	V310 Y315 L316	V310-N312 PolarHBondContact O-N 2.77Å; N312-Y315 PolarHBondContact O-N 3.19Å; N312-L316 PolarHBondContact O-N 2.82Å
313	F	40.7	Very low	39.5	Very low	110 Å²	110	137.7 Å²	137.7	48%	0.482	67%	0.671	S	S	.	*	H	α-helix	trans	-73.2	-31	-176.9	-99	-89.3	0	0	0	113.6	Y315 L316 Y317	F313-Y315 VanDerWaalsContact C-N 3.27Å; F313-Y315 PolarHBondContact O-N 3.37Å; F313-L316 PolarHBondContact O-N 3.12Å; F313-Y317 PolarHBondContact O-N 3.22Å; F313-Y317 VanDerWaalsContact O-N 3.15Å
314	A	37.7	Very low	40.9	Very low	73 Å²	73	132 Å²	132	60%	0.603	65%	0.654	S	S	*	*	H	α-helix	trans	-65.7	-29.5	175.4	0	0	0	0	0	112.9
315	Y	37.9	Very low	41.6	Very low	187 Å²	187	128.2 Å²	128.2	73%	0.733	64%	0.641	S	S	*	*	H	α-helix	trans	-78.9	-36.2	177.3	-109.2	-90	0	0	0	112.6	N312 F313 K318 T319	N312-Y315 PolarHBondContact O-N 3.19Å; F313-Y315 VanDerWaalsContact C-N 3.27Å; F313-Y315 PolarHBondContact O-N 3.37Å; Y315-K318 PolarHBondContact O-N 3.46Å; Y315-T319 PolarHBondContact O-N 2.83Å; Y315-T319 PolarHBondContact O-OG1 2.8Å
316	L	44.8	Very low	42.5	Very low	108 Å²	108	130.7 Å²	130.7	57%	0.565	64%	0.637	S	S	*	*	H	α-helix	trans	-72.6	-32.5	178.9	-81.5	159.5	0	0	0	113.2	N312 F313 T319 K320	N312-L316 PolarHBondContact O-N 2.82Å; F313-L316 PolarHBondContact O-N 3.12Å; L316-T319 PolarHBondContact O-OG1 2.74Å; L316-T319 VanDerWaalsContact O-OG1 3.12Å; L316-K320 PolarHBondContact O-N 2.81Å
317	Y	44.2	Very low	43.5	Very low	135 Å²	135	128.2 Å²	128.2	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-67.5	-37.6	174.5	-111.3	-96.1	0	0	0	112	F313 T319 W321	F313-Y317 PolarHBondContact O-N 3.22Å; F313-Y317 VanDerWaalsContact O-N 3.15Å; Y317-T319 PolarHBondContact O-N 2.91Å; Y317-W321 AromaticContact CD1-NE1 3.96Å
318	K	40.9	Very low	44.7	Very low	150 Å²	150	123 Å²	123	65%	0.652	61%	0.607	S	S	*	*	H	α-helix	trans	-64.7	-42.4	178.5	-127.8	179.9	-178.3	-179.9	0	111.4	Y315 F322	Y315-K318 PolarHBondContact O-N 3.46Å; K318-F322 HydrophobicContact CG-CE2 4.16Å; K318-F322 WeakPolarHBondContact O-CD2 3.46Å; K318-F322 PolarHBondContact O-N 2.84Å
319	T	47.5	Very low	45.7	Very low	68 Å²	68	122.3 Å²	122.3	42%	0.417	59%	0.592	S	S	.	*	H	α-helix	trans	-72.6	-34.2	-176.4	52.8	0	0	0	0	113.7	Y315 L316 Y317 F322 F323	Y315-T319 PolarHBondContact O-N 2.83Å; Y315-T319 PolarHBondContact O-OG1 2.8Å; L316-T319 PolarHBondContact O-OG1 2.74Å; L316-T319 VanDerWaalsContact O-OG1 3.12Å; Y317-T319 PolarHBondContact O-N 2.91Å; T319-F322 PolarHBondContact O-N 2.87Å; T319-F323 WeakPolarHBondContact O-CD2 3.39Å; T319-F323 PolarHBondContact O-N 3.23Å
320	K	44	Very low	46.9	Very low	161 Å²	161	121.5 Å²	121.5	70%	0.7	58%	0.583	S	S	*	*	H	α-helix	trans	-68.1	-37.5	179.3	-130.4	179.6	-177.4	-176.3	0	112.9	L316 F323 V324	L316-K320 PolarHBondContact O-N 2.81Å; K320-F323 PolarHBondContact O-N 2.92Å; K320-V324 WeakPolarHBondContact O-CG2 3.27Å; K320-V324 PolarHBondContact O-N 2.83Å
321	W	46.7	Very low	47.9	Very low	158 Å²	158	120.6 Å²	120.6	60%	0.598	57%	0.573	S	S	*	*	H	α-helix	trans	-69.9	-32.3	175.8	-82.3	91.9	0	0	0	113.1	Y317 N325	Y317-W321 AromaticContact CD1-NE1 3.96Å; W321-N325 WeakPolarHBondContact O-CB 3.45Å; W321-N325 PolarHBondContact O-N 3.05Å; W321-N325 PolarHBondContact O-ND2 2.97Å
322	F	47.7	Very low	48.9	Very low	140 Å²	140	116 Å²	116	61%	0.614	56%	0.557	S	S	*	*	H	α-helix	trans	-65.2	-41.8	172.9	-79.7	-67.5	0	0	0	111.9	K318 T319 Y326	K318-F322 HydrophobicContact CG-CE2 4.16Å; K318-F322 WeakPolarHBondContact O-CD2 3.46Å; K318-F322 PolarHBondContact O-N 2.84Å; T319-F322 PolarHBondContact O-N 2.87Å; F322-Y326 VanDerWaalsContact O-CB 3.32Å; F322-Y326 WeakPolarHBondContact O-CB 3.46Å; F322-Y326 PolarHBondContact O-N 3.38Å
323	F	50.7	Low	50.1	Low	145 Å²	145	118.6 Å²	118.6	64%	0.636	56%	0.563	S	S	*	*	H	α-helix	trans	-69.2	-38.1	180	-90.8	-83.8	0	0	0	113.7	T319 K320 Y326 L327	T319-F323 WeakPolarHBondContact O-CD2 3.39Å; T319-F323 PolarHBondContact O-N 3.23Å; K320-F323 PolarHBondContact O-N 2.92Å; F323-Y326 PolarHBondContact O-N 3.08Å; F323-L327 WeakPolarHBondContact O-CD1 3.42Å; F323-L327 PolarHBondContact O-N 2.94Å
324	V	56.6	Low	51.2	Low	93 Å²	93	122.5 Å²	122.5	56%	0.564	58%	0.576	S	S	*	*	H	α-helix	trans	-69	-40.7	178.5	177.4	0	0	0	0	111.3	K320 S328	K320-V324 WeakPolarHBondContact O-CG2 3.27Å; K320-V324 PolarHBondContact O-N 2.83Å; V324-S328 PolarHBondContact O-N 2.93Å
325	N	48.5	Very low	52.4	Low	88 Å²	88	127.7 Å²	127.7	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-70.2	-33	175.8	-75.5	-33.5	0	0	0	112.6	W321 M329	W321-N325 WeakPolarHBondContact O-CB 3.45Å; W321-N325 PolarHBondContact O-N 3.05Å; W321-N325 PolarHBondContact O-ND2 2.97Å; N325-M329 WeakPolarHBondContact O-CB 3.15Å; N325-M329 WeakPolarHBondContact O-CG 3.24Å; N325-M329 PolarHBondContact O-N 2.64Å; N325-M329 VanDerWaalsContact O-N 3.09Å
326	Y	51.3	Low	53.4	Low	169 Å²	169	128 Å²	128	66%	0.663	60%	0.599	S	S	*	*	H	α-helix	trans	-71.3	-40.9	176.4	-142.1	-97.7	0	0	0	111.6	F322 F323 M329 I330	F322-Y326 VanDerWaalsContact O-CB 3.32Å; F322-Y326 WeakPolarHBondContact O-CB 3.46Å; F322-Y326 PolarHBondContact O-N 3.38Å; F323-Y326 PolarHBondContact O-N 3.08Å; Y326-M329 PolarHBondContact O-N 3.14Å; Y326-I330 HydrophobicContact CD1-CD1 3.59Å; Y326-I330 HydrophobicContact CD1-CG1 4.33Å; Y326-I330 HydrophobicContact CE1-CD1 3.91Å; Y326-I330 WeakPolarHBondContact O-CD1 3.05Å; Y326-I330 VanDerWaalsContact O-CG1 3.25Å; Y326-I330 WeakPolarHBondContact O-CG1 3.32Å; Y326-I330 PolarHBondContact O-N 2.82Å
327	L	56.4	Low	53.8	Low	101 Å²	101	129.1 Å²	129.1	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-67.1	-38.8	174.2	-98	104.9	0	0	0	112.4	F323 M329 I330 I331	F323-L327 WeakPolarHBondContact O-CD1 3.42Å; F323-L327 PolarHBondContact O-N 2.94Å; L327-M329 VanDerWaalsContact C-N 3.35Å; L327-M329 PolarHBondContact O-N 3.32Å; L327-I330 PolarHBondContact O-N 3.34Å; L327-I331 WeakPolarHBondContact O-CD1 2.92Å; L327-I331 VanDerWaalsContact O-CG1 3.23Å; L327-I331 WeakPolarHBondContact O-CG1 3.26Å; L327-I331 PolarHBondContact O-N 2.86Å
328	S	57	Low	54.3	Low	59 Å²	59	128.7 Å²	128.7	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-68.2	-35	177.8	96.5	0	0	0	0	112.1	V324 L332	V324-S328 PolarHBondContact O-N 2.93Å; S328-L332 WeakPolarHBondContact O-CB 3.26Å; S328-L332 PolarHBondContact O-N 3.46Å
329	M	55.2	Low	55.1	Low	105 Å²	105	127.6 Å²	127.6	52%	0.517	60%	0.602	S	S	.	*	H	α-helix	trans	-69.4	-35.7	173.9	-83.7	-78	111.2	0	0	113.2	N325 Y326 L327 L332 K333	N325-M329 WeakPolarHBondContact O-CB 3.15Å; N325-M329 WeakPolarHBondContact O-CG 3.24Å; N325-M329 PolarHBondContact O-N 2.64Å; N325-M329 VanDerWaalsContact O-N 3.09Å; Y326-M329 PolarHBondContact O-N 3.14Å; L327-M329 VanDerWaalsContact C-N 3.35Å; L327-M329 PolarHBondContact O-N 3.32Å; M329-L332 HydrophobicContact CE-CD2 4.33Å; M329-K333 WeakPolarHBondContact O-CB 3.42Å; M329-K333 WeakPolarHBondContact O-CG 3.48Å; M329-K333 PolarHBondContact O-N 3.07Å; M329-K333 VanDerWaalsContact O-N 3.15Å
330	I	61.8	Low	55.5	Low	79 Å²	79	131.1 Å²	131.1	41%	0.405	61%	0.613	S	S	.	*	H	α-helix	trans	-68.9	-44	175.1	-68.5	165.1	0	0	0	110.1	Y326 L327 L332 K333 Y334	Y326-I330 HydrophobicContact CD1-CD1 3.59Å; Y326-I330 HydrophobicContact CD1-CG1 4.33Å; Y326-I330 HydrophobicContact CE1-CD1 3.91Å; Y326-I330 WeakPolarHBondContact O-CD1 3.05Å; Y326-I330 VanDerWaalsContact O-CG1 3.25Å; Y326-I330 WeakPolarHBondContact O-CG1 3.32Å; Y326-I330 PolarHBondContact O-N 2.82Å; L327-I330 PolarHBondContact O-N 3.34Å; I330-L332 VanDerWaalsContact C-N 3.34Å; I330-L332 PolarHBondContact O-N 3.03Å; I330-K333 PolarHBondContact O-N 2.96Å; I330-Y334 HydrophobicContact CG2-CD2 4.01Å; I330-Y334 HydrophobicContact CG2-CE2 4.19Å; I330-Y334 WeakPolarHBondContact O-CD2 3.23Å; I330-Y334 PolarHBondContact O-N 2.87Å
331	I	60.4	Low	56.2	Low	96 Å²	96	129.2 Å²	129.2	49%	0.492	61%	0.607	S	S	.	*	H	α-helix	trans	-65.7	-38.3	179.1	-64.6	165.2	0	0	0	110.8	L327 K333 Y334 F335	L327-I331 WeakPolarHBondContact O-CD1 2.92Å; L327-I331 VanDerWaalsContact O-CG1 3.23Å; L327-I331 WeakPolarHBondContact O-CG1 3.26Å; L327-I331 PolarHBondContact O-N 2.86Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 2.88Å; I331-Y334 PolarHBondContact O-N 2.85Å; I331-F335 HydrophobicContact CG2-CD2 4.13Å; I331-F335 PolarHBondContact O-N 3.11Å
332	L	58.4	Low	56.9	Low	100 Å²	100	127.3 Å²	127.3	52%	0.524	61%	0.608	S	S	.	*	H	α-helix	trans	-69.1	-29.9	177.4	-141.5	81.7	0	0	0	113.1	S328 M329 I330 L336	S328-L332 WeakPolarHBondContact O-CB 3.26Å; S328-L332 PolarHBondContact O-N 3.46Å; M329-L332 HydrophobicContact CE-CD2 4.33Å; I330-L332 VanDerWaalsContact C-N 3.34Å; I330-L332 PolarHBondContact O-N 3.03Å; L332-L336 HydrophobicContact CD2-CD1 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.18Å; L332-L336 PolarHBondContact O-N 3.39Å
333	K	63.8	Low	57.5	Low	165 Å²	165	126.4 Å²	126.4	72%	0.717	61%	0.607	S	S	*	*	H	α-helix	trans	-79.4	-14.2	175.5	-81	-173	175.6	-174	0	114.5	M329 I330 I331	M329-K333 WeakPolarHBondContact O-CB 3.42Å; M329-K333 WeakPolarHBondContact O-CG 3.48Å; M329-K333 PolarHBondContact O-N 3.07Å; M329-K333 VanDerWaalsContact O-N 3.15Å; I330-K333 PolarHBondContact O-N 2.96Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 PolarHBondContact O-N 2.88Å
334	Y	64.2	Low	58	Low	193 Å²	193	124.9 Å²	124.9	76%	0.757	61%	0.605	S	S	*	*	H	α-helix	trans	-96.3	-8.5	174.5	-91.3	-83.4	0	0	0	113	I330 I331	I330-Y334 HydrophobicContact CG2-CD2 4.01Å; I330-Y334 HydrophobicContact CG2-CE2 4.19Å; I330-Y334 WeakPolarHBondContact O-CD2 3.23Å; I330-Y334 PolarHBondContact O-N 2.87Å; I331-Y334 PolarHBondContact O-N 2.85Å
335	F	62.3	Low	58.1	Low	182 Å²	182	127.6 Å²	127.6	80%	0.798	61%	0.608	S	S	*	*			trans	-118.7	7.2	-178.1	-86.5	-81.7	0	0	0	114.6	I331	I331-F335 HydrophobicContact CG2-CD2 4.13Å; I331-F335 PolarHBondContact O-N 3.11Å
336	L	58.6	Low	59	Low	194 Å²	194	131.2 Å²	131.2	100%	1.016	62%	0.621	S	S	*	*			trans	-122.5	0	167.6	-92.7	147.2	0	0	0	107.9	L332	L332-L336 HydrophobicContact CD2-CD1 4.37Å; L332-L336 HydrophobicContact CG-CD1 4.18Å; L332-L336 PolarHBondContact O-N 3.39Å

Retrieved 336 of 336 residues in 613.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).