A0A3Q0KIB1_SCHMA Loading...

Uroporphyrinogen-III synthase

AlphaFold DB , UniProt , Accession A0A3Q0KIB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	93.8	Very high	88.6	Confident	40 Å²	40	21.3 Å²	21.3	20%	0.197	13%	0.127	C	C	.	.				0	91.6	0	-154.8	176.8	-72.4	0	0	111.6	V3 F30 T31 E182 C183 L249 K250	M1-V3 HydrophobicContact CG-CG2 4Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; M1-F30 HydrophobicContact CB-CD1 3.91Å; M1-F30 HydrophobicContact CB-CE1 4Å; M1-F30 HydrophobicContact CG-CD1 4.23Å; M1-F30 HydrophobicContact CG-CE1 4.21Å; M1-F30 HydrophobicContact SD-CD1 4.31Å; M1-F30 HydrophobicContact SD-CE1 3.76Å; M1-T31 PolarHBondContact O-N 2.96Å; M1-E182 WeakPolarHBondContact CA-OE1 3.32Å; M1-E182 WeakPolarHBondContact CA-OE2 3.43Å; M1-E182 HydrophobicContact CG-CB 3.99Å; M1-E182 PolarHBondContact N-OE1 3.34Å; M1-E182 PolarHBondContact N-OE2 3.11Å; M1-C183 HydrophobicContact SD-CB 4.41Å; M1-L249 HydrophobicContact CE-CB 4.2Å; M1-L249 VanDerWaalsContact CE-O 3.28Å; M1-L249 WeakPolarHBondContact CE-O 3.22Å; M1-K250 HydrophobicContact CE-CG 3.8Å
2	Y	95.6	Very high	86.1	Confident	16 Å²	16	27.5 Å²	27.5	6%	0.063	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.2	164.2	174.1	-147.8	0	0	0	110.3	V4 T31 D33 N173 P179 I180 P181 E182 C183	Y2-V4 HydrophobicContact CE2-CG2 4.11Å; Y2-T31 WeakPolarHBondContact CA-O 3.28Å; Y2-T31 HydrophobicContact CD2-CG2 3.76Å; Y2-T31 HydrophobicContact CE2-CG2 4.27Å; Y2-T31 HydrophobicContact CG-CG2 4.42Å; Y2-D33 HydrophobicContact CE2-CB 4.23Å; Y2-D33 WeakPolarHBondContact CE2-OD2 3.44Å; Y2-D33 PolarHBondContact OH-OD2 2.98Å; Y2-N173 PolarHBondContact OH-ND2 3.45Å; Y2-P179 HydrophobicContact CD1-CB 4.41Å; Y2-P179 HydrophobicContact CD1-CG 3.88Å; Y2-P179 WeakPolarHBondContact CD1-O 3.41Å; Y2-P179 WeakPolarHBondContact CE1-O 3.5Å; Y2-P179 HydrophobicContact CG-CG 4.32Å; Y2-I180 VanDerWaalsContact CD1-C 3.5Å; Y2-P181 HydrophobicContact CD1-CB 3.9Å; Y2-P181 VanDerWaalsContact CD1-N 3.34Å; Y2-P181 HydrophobicContact CE1-CB 3.91Å; Y2-P181 HydrophobicContact CE1-CG 4.36Å; Y2-P181 HydrophobicContact CG-CB 4.41Å; Y2-E182 PolarHBondContact N-OE1 3.48Å; Y2-E182 PolarHBondContact O-N 2.85Å; Y2-C183 PolarHBondContact O-N 2.96Å
3	V	96.6	Very high	83.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.1	-173.1	-175.3	0	0	0	0	109.9	M1 L5 F30 T31 V32 D33 C183 V185 L246	M1-V3 HydrophobicContact CG-CG2 4Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; V3-L5 HydrophobicContact CG1-CD2 3.85Å; V3-F30 HydrophobicContact CG2-CD1 3.71Å; V3-F30 HydrophobicContact CG2-CE1 4.4Å; V3-T31 PolarHBondContact N-O 2.87Å; V3-V32 VanDerWaalsContact O-CA 3.32Å; V3-V32 WeakPolarHBondContact O-CA 3.28Å; V3-D33 PolarHBondContact O-N 3.26Å; V3-C183 WeakPolarHBondContact CA-O 3.38Å; V3-C183 HydrophobicContact CG1-CB 4.38Å; V3-C183 HydrophobicContact CG2-CB 4.23Å; V3-V185 HydrophobicContact CG1-CG2 3.58Å; V3-L246 HydrophobicContact CG1-CD1 4.23Å; V3-L246 HydrophobicContact CG1-CD2 4.49Å; V3-L246 HydrophobicContact CG2-CD1 4.35Å; V3-L246 HydrophobicContact CG2-CD2 4.47Å
4	V	96.6	Very high	82	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.4	171.1	174.6	0	0	0	0	109.2	Y2 L6 D33 L35 N173 P181 C183 L184 V185	Y2-V4 HydrophobicContact CE2-CG2 4.11Å; V4-L6 HydrophobicContact CG1-CD1 4.28Å; V4-D33 WeakPolarHBondContact CA-O 3.5Å; V4-D33 HydrophobicContact CG2-CB 4.33Å; V4-L35 HydrophobicContact CG1-CD1 3.78Å; V4-L35 HydrophobicContact CG1-CG 3.78Å; V4-N173 HydrophobicContact CG2-CB 4.49Å; V4-P181 HydrophobicContact CB-CB 4.49Å; V4-P181 HydrophobicContact CG2-CB 3.75Å; V4-P181 HydrophobicContact CG2-CG 4.08Å; V4-C183 PolarHBondContact N-O 3.01Å; V4-L184 HydrophobicContact CB-CD2 3.73Å; V4-L184 HydrophobicContact CG1-CD2 4.29Å; V4-L184 HydrophobicContact CG2-CD2 4.37Å; V4-L184 WeakPolarHBondContact O-CA 3.47Å; V4-V185 PolarHBondContact O-N 2.8Å
5	L	97.1	Very high	81.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.2	177.6	-53.5	-176.9	0	0	0	109.7	V3 V22 L25 V32 D33 L34 L35 V185 F187 L242	V3-L5 HydrophobicContact CG1-CD2 3.85Å; L5-V22 HydrophobicContact CD1-CG2 3.99Å; L5-L25 HydrophobicContact CD1-CD1 4.3Å; L5-L25 HydrophobicContact CD2-CD1 4.02Å; L5-V32 HydrophobicContact CD1-CG1 3.78Å; L5-V32 HydrophobicContact CG-CG1 3.85Å; L5-D33 PolarHBondContact N-O 2.93Å; L5-L34 HydrophobicContact CB-CB 4.45Å; L5-L34 HydrophobicContact CB-CD1 4.25Å; L5-L34 HydrophobicContact CB-CG 4.44Å; L5-L34 HydrophobicContact CD1-CD1 4.25Å; L5-L34 WeakPolarHBondContact O-CA 3.13Å; L5-L35 PolarHBondContact O-N 3.2Å; L5-V185 HydrophobicContact CD2-CB 3.69Å; L5-V185 HydrophobicContact CD2-CG1 4.27Å; L5-V185 HydrophobicContact CD2-CG2 3.65Å; L5-F187 HydrophobicContact CB-CE2 3.95Å; L5-F187 HydrophobicContact CD2-CE2 4.16Å; L5-F187 HydrophobicContact CD2-CZ 4.45Å; L5-F187 HydrophobicContact CG-CE2 4.49Å; L5-L242 HydrophobicContact CD2-CD2 3.99Å
6	L	97	Very high	80.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	96	175.2	-63.2	101.1	0	0	0	109.7	V4 T37 L166 L170 L184 V185 F186 F187 T195	V4-L6 HydrophobicContact CG1-CD1 4.28Å; L6-T37 HydrophobicContact CB-CG2 3.83Å; L6-L166 HydrophobicContact CD2-CD1 4.35Å; L6-L170 HydrophobicContact CD2-CD1 4.3Å; L6-L170 HydrophobicContact CD2-CD2 4.05Å; L6-L184 HydrophobicContact CD1-CB 3.94Å; L6-L184 HydrophobicContact CD1-CD2 4.38Å; L6-V185 PolarHBondContact N-O 2.83Å; L6-F186 HydrophobicContact CB-CD1 4.09Å; L6-F186 HydrophobicContact CB-CE1 4.16Å; L6-F186 HydrophobicContact CD1-CD1 4.47Å; L6-F186 HydrophobicContact CD1-CE1 4.09Å; L6-F186 HydrophobicContact CD1-CE2 4.13Å; L6-F186 HydrophobicContact CD1-CZ 3.9Å; L6-F186 HydrophobicContact CD2-CE1 3.75Å; L6-F186 HydrophobicContact CD2-CZ 4.04Å; L6-F186 HydrophobicContact CG-CE1 4.23Å; L6-F186 HydrophobicContact CG-CZ 4.47Å; L6-F187 WeakPolarHBondContact O-CD2 3.32Å; L6-F187 PolarHBondContact O-N 2.82Å; L6-F187 VanDerWaalsContact O-N 3.11Å; L6-T195 HydrophobicContact CD2-CG2 3.75Å
7	K	93.6	Very high	80.5	Confident	32 Å²	32	41.5 Å²	41.5	14%	0.139	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.9	-169	-171.3	-169.5	168.3	-141.8	0	110.2	D19 L34 L35 E36 T37 F187	K7-D19 IonicContact NZ-OD2 3.01Å; K7-D19 PolarHBondContact NZ-OD2 3.36Å; K7-L34 HydrophobicContact CD-CD1 4.35Å; K7-L35 PolarHBondContact N-O 2.83Å; K7-L35 VanDerWaalsContact N-O 3.16Å; K7-E36 CarbonylContact O-C 3.32Å; K7-E36 WeakPolarHBondContact O-CA 3.47Å; K7-T37 PolarHBondContact O-N 3.38Å; K7-T37 PolarHBondContact O-OG1 3.1Å; K7-F187 HydrophobicContact CB-CB 4.15Å; K7-F187 HydrophobicContact CB-CD1 4.3Å; K7-F187 HydrophobicContact CB-CD2 3.68Å; K7-F187 HydrophobicContact CB-CE2 4.13Å; K7-F187 HydrophobicContact CB-CG 3.77Å; K7-F187 HydrophobicContact CD-CD1 4Å; K7-F187 HydrophobicContact CD-CE1 4.01Å; K7-F187 HydrophobicContact CD-CG 4.33Å; K7-F187 HydrophobicContact CD-CZ 4.35Å; K7-F187 HydrophobicContact CG-CB 3.99Å; K7-F187 HydrophobicContact CG-CD1 3.76Å; K7-F187 HydrophobicContact CG-CD2 4.07Å; K7-F187 HydrophobicContact CG-CE1 4.24Å; K7-F187 HydrophobicContact CG-CG 3.65Å
8	S	87	Confident	80.8	Confident	37 Å²	37	42.8 Å²	42.8	26%	0.259	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-65.4	155.4	167.9	54.9	0	0	0	0	111.5	G10 T37	S8-G10 PolarHBondContact O-N 3.48Å; S8-T37 PolarHBondContact N-OG1 3.06Å
9	A	77.6	Confident	81.3	Confident	17 Å²	17	40.8 Å²	40.8	14%	0.14	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-50.4	141.7	177.1	0	0	0	0	0	112.2	E36 L38 F40 R66	A9-E36 VanDerWaalsContact CA-OE1 3.26Å; A9-E36 WeakPolarHBondContact CA-OE1 3.2Å; A9-E36 HydrophobicContact CB-CG 4.32Å; A9-E36 VanDerWaalsContact CB-OE1 3.26Å; A9-E36 WeakPolarHBondContact CB-OE1 3.11Å; A9-L38 PolarHBondContact N-O 3.07Å; A9-F40 HydrophobicContact CB-CD2 4.38Å; A9-F40 HydrophobicContact CB-CE2 4.27Å; A9-R66 PolarHBondContact O-NH2 2.94Å
10	G	74.1	Confident	81.8	Confident	30 Å²	30	42.1 Å²	42.1	31%	0.309	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-71	147	175.6	0	0	0	0	0	111.7	S8	S8-G10 PolarHBondContact O-N 3.48Å
11	E	65	Low	82.5	Confident	62 Å²	62	41.1 Å²	41.1	29%	0.29	25%	0.248	S	C	.	.	S	Bend	trans	-77.7	-28.3	177.2	-64.1	169.3	163.9	0	0	112.7	P65 R66	E11-P65 WeakPolarHBondContact OE1-CD 3.41Å; E11-P65 WeakPolarHBondContact OE2-CB 3.44Å; E11-P65 WeakPolarHBondContact OE2-CG 3.48Å; E11-R66 HydrophobicContact CG-CG 4.16Å; E11-R66 VanDerWaalsContact CG-NH1 3.28Å; E11-R66 IonicContact OE1-CZ 2.61Å; E11-R66 IonicContact OE1-NH1 3.8Å; E11-R66 PolarHBondContact OE1-NH1 2.79Å
12	N	59.3	Low	82.5	Confident	96 Å²	96	39.2 Å²	39.2	51%	0.513	24%	0.238	S	C	.	.	S	Bend	trans	-122.5	-1.6	-173.5	-67.6	-22.4	0	0	0	113.6	T14 Q94	N12-T14 PolarHBondContact O-N 2.89Å; N12-Q94 PolarHBondContact OD1-NE2 3.17Å
13	A	56.9	Low	82.5	Confident	41 Å²	41	43.4 Å²	43.4	34%	0.339	26%	0.259	S	S	.	.			trans	-78.2	107.5	-176.9	0	0	0	0	0	108.6	S15	A13-S15 PolarHBondContact O-N 3.37Å
14	T	57.9	Low	82.5	Confident	136 Å²	136	45.1 Å²	45.1	83%	0.834	27%	0.267	S	S	*	.	S	Bend	trans	-65.7	-25.8	170.1	29.9	0	0	0	0	111.8	N12 D18	N12-T14 PolarHBondContact O-N 2.89Å; T14-D18 PolarHBondContact OG1-OD2 2.82Å
15	S	69.6	Low	82.5	Confident	43 Å²	43	45.1 Å²	45.1	30%	0.301	27%	0.267	S	S	.	.	S	Bend	trans	-146.9	158	176.6	71.1	0	0	0	0	110.8	A13 S17 D18	A13-S15 PolarHBondContact O-N 3.37Å; S15-S17 PolarHBondContact O-N 3.47Å; S15-S17 VanDerWaalsContact O-N 3.15Å; S15-S17 PolarHBondContact OG-N 3.27Å; S15-S17 PolarHBondContact OG-OG 2.69Å; S15-D18 WeakPolarHBondContact CB-OD2 3.38Å; S15-D18 PolarHBondContact N-OD2 2.93Å; S15-D18 WeakPolarHBondContact O-CB 3.3Å; S15-D18 PolarHBondContact O-N 3.19Å; S15-D18 PolarHBondContact OG-N 3.36Å; S15-D18 PolarHBondContact OG-OD2 3.19Å
16	I	73.4	Confident	82.4	Confident	86 Å²	86	50.3 Å²	50.3	44%	0.441	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55.4	-30.3	171.7	-67.7	172	0	0	0	111.6	D18 D19 V22 L34	I16-D18 VanDerWaalsContact C-N 3.26Å; I16-D18 PolarHBondContact O-N 2.82Å; I16-D19 WeakPolarHBondContact O-CB 3.32Å; I16-D19 PolarHBondContact O-N 2.94Å; I16-V22 HydrophobicContact CG2-CG2 4.37Å; I16-L34 HydrophobicContact CG1-CD2 4.16Å; I16-L34 HydrophobicContact CG2-CB 3.71Å; I16-L34 HydrophobicContact CG2-CD2 4.28Å
17	S	78.1	Confident	82.4	Confident	70 Å²	70	59.4 Å²	59.4	49%	0.49	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-71.3	-16.1	177.1	39	0	0	0	0	114.8	S15 D19 Q23	S15-S17 PolarHBondContact O-N 3.47Å; S15-S17 VanDerWaalsContact O-N 3.15Å; S15-S17 PolarHBondContact OG-N 3.27Å; S15-S17 PolarHBondContact OG-OG 2.69Å; S17-D19 VanDerWaalsContact C-N 3.31Å; S17-Q23 VanDerWaalsContact O-CG 3.24Å; S17-Q23 WeakPolarHBondContact O-CG 3.42Å; S17-Q23 PolarHBondContact O-NE2 3.16Å
18	D	84.8	Confident	82.6	Confident	65 Å²	65	59.7 Å²	59.7	35%	0.348	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-85.8	-6.8	175.6	-57.8	-43.3	0	0	0	112.3	T14 S15 I16	T14-D18 PolarHBondContact OG1-OD2 2.82Å; S15-D18 WeakPolarHBondContact CB-OD2 3.38Å; S15-D18 PolarHBondContact N-OD2 2.93Å; S15-D18 WeakPolarHBondContact O-CB 3.3Å; S15-D18 PolarHBondContact O-N 3.19Å; S15-D18 PolarHBondContact OG-N 3.36Å; S15-D18 PolarHBondContact OG-OD2 3.19Å; I16-D18 VanDerWaalsContact C-N 3.26Å; I16-D18 PolarHBondContact O-N 2.82Å
19	D	90.5	Very high	83	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.027	35%	0.354	C	S	.	.			trans	-67.4	126.2	178.7	-174.5	-75.1	0	0	0	110.8	K7 I16 S17 Y21 V22 Q23 L34	K7-D19 IonicContact NZ-OD2 3.01Å; K7-D19 PolarHBondContact NZ-OD2 3.36Å; I16-D19 WeakPolarHBondContact O-CB 3.32Å; I16-D19 PolarHBondContact O-N 2.94Å; S17-D19 VanDerWaalsContact C-N 3.31Å; D19-Y21 PolarHBondContact O-N 3.47Å; D19-Y21 WeakPolarHBondContact OD1-CA 3.49Å; D19-Y21 WeakPolarHBondContact OD1-CB 3.44Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.44Å; D19-Y21 PolarHBondContact OD1-N 2.92Å; D19-V22 HydrophobicContact CB-CB 4.11Å; D19-V22 HydrophobicContact CB-CG2 3.87Å; D19-V22 WeakPolarHBondContact O-CB 3.33Å; D19-V22 PolarHBondContact O-N 2.93Å; D19-V22 PolarHBondContact OD1-N 3.2Å; D19-Q23 WeakPolarHBondContact O-CG 3.41Å; D19-Q23 PolarHBondContact O-N 3Å; D19-L34 HydrophobicContact CB-CD1 4.27Å
20	P	92.4	Very high	83.9	Confident	65 Å²	65	60.5 Å²	60.5	42%	0.422	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-26.2	-174.3	26.1	-35.9	0	0	0	113.4	I24 P239	P20-I24 WeakPolarHBondContact O-CG2 3.28Å; P20-I24 PolarHBondContact O-N 3.23Å; P20-I24 VanDerWaalsContact O-N 3.15Å; P20-P239 HydrophobicContact CB-CG 3.93Å; P20-P239 HydrophobicContact CG-CG 4.31Å
21	Y	95	Very high	84.9	Confident	22 Å²	22	63.1 Å²	63.1	9%	0.086	36%	0.359	C	S	.	.	H	α-helix	trans	-72.2	-42.9	172.7	-62.9	-89.9	0	0	0	110.9	D19 Q23 I24 L25 F187 M215 P237 P239 L242	D19-Y21 PolarHBondContact O-N 3.47Å; D19-Y21 WeakPolarHBondContact OD1-CA 3.49Å; D19-Y21 WeakPolarHBondContact OD1-CB 3.44Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.44Å; D19-Y21 PolarHBondContact OD1-N 2.92Å; Y21-Q23 PolarHBondContact O-N 3.2Å; Y21-I24 WeakPolarHBondContact O-CG2 3.43Å; Y21-L25 VanDerWaalsContact O-CB 3.31Å; Y21-L25 WeakPolarHBondContact O-CB 3.31Å; Y21-L25 WeakPolarHBondContact O-CG 3.33Å; Y21-L25 PolarHBondContact O-N 2.92Å; Y21-F187 AromaticContact CD1-CE1 3.88Å; Y21-F187 HydrophobicContact CD1-CE1 3.88Å; Y21-F187 AromaticContact CD1-CZ 3.91Å; Y21-F187 HydrophobicContact CD1-CZ 3.91Å; Y21-F187 AromaticContact CD2-CE1 3.88Å; Y21-F187 HydrophobicContact CD2-CE1 3.88Å; Y21-F187 HydrophobicContact CD2-CZ 4.22Å; Y21-F187 AromaticContact CE1-CE1 3.65Å; Y21-F187 HydrophobicContact CE1-CE1 3.65Å; Y21-F187 HydrophobicContact CE1-CZ 4.12Å; Y21-F187 AromaticContact CE2-CE1 3.68Å; Y21-F187 HydrophobicContact CE2-CE1 3.68Å; Y21-F187 HydrophobicContact CE2-CZ 4.46Å; Y21-F187 AromaticContact CG-CE1 3.97Å; Y21-F187 HydrophobicContact CG-CE1 3.97Å; Y21-F187 AromaticContact CG-CZ 3.93Å; Y21-F187 HydrophobicContact CG-CZ 3.93Å; Y21-F187 AromaticContact CZ-CE1 3.54Å; Y21-M215 HydrophobicContact CE1-CE 3.75Å; Y21-P237 PolarHBondContact OH-O 3.36Å; Y21-P239 HydrophobicContact CD1-CB 3.99Å; Y21-P239 HydrophobicContact CD1-CG 4.2Å; Y21-P239 HydrophobicContact CD2-CG 4.43Å; Y21-P239 HydrophobicContact CE1-CB 4.2Å; Y21-P239 HydrophobicContact CE1-CG 4.13Å; Y21-P239 HydrophobicContact CE2-CG 4.32Å; Y21-P239 HydrophobicContact CG-CB 4.39Å; Y21-P239 HydrophobicContact CG-CG 4.38Å; Y21-L242 HydrophobicContact CD1-CB 4.15Å; Y21-L242 HydrophobicContact CD1-CD2 3.64Å; Y21-L242 HydrophobicContact CE1-CB 4.27Å; Y21-L242 HydrophobicContact CE1-CD2 4.31Å; Y21-L242 HydrophobicContact CG-CD2 4.47Å
22	V	94.9	Very high	86.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175.7	176.3	0	0	0	0	110.3	L5 I16 D19 K26 V32 L34	L5-V22 HydrophobicContact CD1-CG2 3.99Å; I16-V22 HydrophobicContact CG2-CG2 4.37Å; D19-V22 HydrophobicContact CB-CB 4.11Å; D19-V22 HydrophobicContact CB-CG2 3.87Å; D19-V22 WeakPolarHBondContact O-CB 3.33Å; D19-V22 PolarHBondContact O-N 2.93Å; D19-V22 PolarHBondContact OD1-N 3.2Å; V22-K26 HydrophobicContact CG1-CD 3.83Å; V22-K26 HydrophobicContact CG1-CG 4.31Å; V22-K26 WeakPolarHBondContact O-CB 3.48Å; V22-K26 WeakPolarHBondContact O-CG 3.33Å; V22-K26 PolarHBondContact O-N 3.18Å; V22-V32 HydrophobicContact CG2-CG1 4.21Å; V22-L34 HydrophobicContact CG2-CB 4.08Å; V22-L34 HydrophobicContact CG2-CD1 3.97Å
23	Q	94.7	Very high	88	Confident	104 Å²	104	59 Å²	59	49%	0.486	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-50.7	-179.4	-70.8	-174.8	-12	0	0	112.9	S17 D19 Y21 L25 K27	S17-Q23 VanDerWaalsContact O-CG 3.24Å; S17-Q23 WeakPolarHBondContact O-CG 3.42Å; S17-Q23 PolarHBondContact O-NE2 3.16Å; D19-Q23 WeakPolarHBondContact O-CG 3.41Å; D19-Q23 PolarHBondContact O-N 3Å; Y21-Q23 PolarHBondContact O-N 3.2Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 2.96Å; Q23-K27 VanDerWaalsContact O-CB 3.26Å; Q23-K27 WeakPolarHBondContact O-CB 3.14Å; Q23-K27 PolarHBondContact O-N 2.9Å
24	I	96.5	Very high	89.7	Confident	35 Å²	35	57.8 Å²	57.8	18%	0.179	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-35.9	-176.2	-159.7	177.9	0	0	0	112.2	P20 Y21 S28 P239 E240 L243	P20-I24 WeakPolarHBondContact O-CG2 3.28Å; P20-I24 PolarHBondContact O-N 3.23Å; P20-I24 VanDerWaalsContact O-N 3.15Å; Y21-I24 WeakPolarHBondContact O-CG2 3.43Å; I24-S28 WeakPolarHBondContact O-CB 3.47Å; I24-S28 PolarHBondContact O-N 3.2Å; I24-S28 PolarHBondContact O-OG 2.83Å; I24-P239 HydrophobicContact CB-CB 4.41Å; I24-P239 HydrophobicContact CD1-CB 4.28Å; I24-P239 HydrophobicContact CG2-CB 3.72Å; I24-E240 HydrophobicContact CD1-CB 4.38Å; I24-E240 HydrophobicContact CD1-CG 3.83Å; I24-L243 HydrophobicContact CD1-CB 4.48Å; I24-L243 HydrophobicContact CD1-CD2 4.09Å; I24-L243 HydrophobicContact CG1-CD2 4.09Å
25	L	97.1	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-74	-45.7	179.8	-67.4	-177.9	0	0	0	111.3	L5 Y21 Q23 K27 S28 G29 F30 V32 L242 L243 L246	L5-L25 HydrophobicContact CD1-CD1 4.3Å; L5-L25 HydrophobicContact CD2-CD1 4.02Å; Y21-L25 VanDerWaalsContact O-CB 3.31Å; Y21-L25 WeakPolarHBondContact O-CB 3.31Å; Y21-L25 WeakPolarHBondContact O-CG 3.33Å; Y21-L25 PolarHBondContact O-N 2.92Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 2.96Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 2.83Å; L25-S28 CarbonylContact O-C 3.49Å; L25-S28 WeakPolarHBondContact O-CA 3.19Å; L25-S28 PolarHBondContact O-N 3.37Å; L25-G29 PolarHBondContact O-N 3.27Å; L25-F30 HydrophobicContact CB-CB 4.19Å; L25-F30 HydrophobicContact CB-CD2 4.42Å; L25-F30 HydrophobicContact CD2-CD2 4.26Å; L25-F30 HydrophobicContact CD2-CE2 4.46Å; L25-F30 WeakPolarHBondContact O-CB 3.27Å; L25-F30 WeakPolarHBondContact O-CD2 3.39Å; L25-F30 PolarHBondContact O-N 3.45Å; L25-V32 HydrophobicContact CB-CG2 3.57Å; L25-V32 HydrophobicContact CD1-CG1 4.38Å; L25-V32 HydrophobicContact CD1-CG2 4.23Å; L25-L242 HydrophobicContact CD1-CD2 4.02Å; L25-L243 HydrophobicContact CD2-CB 4.15Å; L25-L243 HydrophobicContact CD2-CD1 3.82Å; L25-L246 HydrophobicContact CD1-CD1 3.79Å; L25-L246 HydrophobicContact CD2-CD1 3.55Å; L25-L246 HydrophobicContact CG-CD1 4.33Å
26	K	96.1	Very high	92.6	Very high	109 Å²	109	52.7 Å²	52.7	47%	0.474	29%	0.289	S	S	.	.	H	α-helix	trans	-59.7	-44.1	174.2	-75.2	-174.7	175.9	-179.9	0	111.6	V22 S28 G29 V32	V22-K26 HydrophobicContact CG1-CD 3.83Å; V22-K26 HydrophobicContact CG1-CG 4.31Å; V22-K26 WeakPolarHBondContact O-CB 3.48Å; V22-K26 WeakPolarHBondContact O-CG 3.33Å; V22-K26 PolarHBondContact O-N 3.18Å; K26-S28 PolarHBondContact O-N 2.75Å; K26-S28 VanDerWaalsContact O-N 3.16Å; K26-G29 PolarHBondContact O-N 3.12Å; K26-V32 WeakPolarHBondContact CE-O 3.38Å; K26-V32 HydrophobicContact CG-CB 4.25Å; K26-V32 HydrophobicContact CG-CG2 4.15Å
27	K	96.6	Very high	93.6	Very high	191 Å²	191	48.6 Å²	48.6	83%	0.83	27%	0.268	S	S	*	.	H	α-helix	trans	-59.1	-26.8	174.2	-174.2	175.9	179.6	179	0	113	Q23 L25 G29	Q23-K27 VanDerWaalsContact O-CB 3.26Å; Q23-K27 WeakPolarHBondContact O-CB 3.14Å; Q23-K27 PolarHBondContact O-N 2.9Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 2.83Å; K27-G29 VanDerWaalsContact C-N 3.35Å
28	S	96.8	Very high	94.2	Very high	38 Å²	38	46.4 Å²	46.4	27%	0.266	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	11.7	177.4	-57.9	0	0	0	0	113.9	I24 L25 K26 L243	I24-S28 WeakPolarHBondContact O-CB 3.47Å; I24-S28 PolarHBondContact O-N 3.2Å; I24-S28 PolarHBondContact O-OG 2.83Å; L25-S28 CarbonylContact O-C 3.49Å; L25-S28 WeakPolarHBondContact O-CA 3.19Å; L25-S28 PolarHBondContact O-N 3.37Å; K26-S28 PolarHBondContact O-N 2.75Å; K26-S28 VanDerWaalsContact O-N 3.16Å; S28-L243 VanDerWaalsContact CB-CD1 3.49Å; S28-L243 WeakPolarHBondContact OG-CD1 3.43Å; S28-L243 WeakPolarHBondContact OG-CD2 3.46Å
29	G	96.1	Very high	94.5	Very high	63 Å²	63	45.8 Å²	45.8	65%	0.649	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	22.7	175.6	0	0	0	0	0	114.8	L25 K26 K27	L25-G29 PolarHBondContact O-N 3.27Å; K26-G29 PolarHBondContact O-N 3.12Å; K27-G29 VanDerWaalsContact C-N 3.35Å
30	F	96.4	Very high	94.5	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.035	25%	0.253	C	S	.	.			trans	-89.4	142.6	169.2	-65.7	-97.3	0	0	0	110.3	M1 V3 L25 V32 L243 L246 K247 K250	M1-F30 HydrophobicContact CB-CD1 3.91Å; M1-F30 HydrophobicContact CB-CE1 4Å; M1-F30 HydrophobicContact CG-CD1 4.23Å; M1-F30 HydrophobicContact CG-CE1 4.21Å; M1-F30 HydrophobicContact SD-CD1 4.31Å; M1-F30 HydrophobicContact SD-CE1 3.76Å; V3-F30 HydrophobicContact CG2-CD1 3.71Å; V3-F30 HydrophobicContact CG2-CE1 4.4Å; L25-F30 HydrophobicContact CB-CB 4.19Å; L25-F30 HydrophobicContact CB-CD2 4.42Å; L25-F30 HydrophobicContact CD2-CD2 4.26Å; L25-F30 HydrophobicContact CD2-CE2 4.46Å; L25-F30 WeakPolarHBondContact O-CB 3.27Å; L25-F30 WeakPolarHBondContact O-CD2 3.39Å; L25-F30 PolarHBondContact O-N 3.45Å; F30-V32 HydrophobicContact CB-CG2 3.77Å; F30-L243 HydrophobicContact CD2-CD1 4.3Å; F30-L243 HydrophobicContact CE2-CD1 3.62Å; F30-L243 HydrophobicContact CZ-CD1 4.44Å; F30-L246 HydrophobicContact CE1-CB 3.95Å; F30-L246 HydrophobicContact CZ-CB 3.88Å; F30-K247 HydrophobicContact CZ-CG 4.48Å; F30-K250 HydrophobicContact CZ-CD 4.43Å
31	T	95.5	Very high	94.5	Very high	86 Å²	86	49.4 Å²	49.4	53%	0.528	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.9	162	-55.8	0	0	0	0	107.2	M1 Y2 V3	M1-T31 PolarHBondContact O-N 2.96Å; Y2-T31 WeakPolarHBondContact CA-O 3.28Å; Y2-T31 HydrophobicContact CD2-CG2 3.76Å; Y2-T31 HydrophobicContact CE2-CG2 4.27Å; Y2-T31 HydrophobicContact CG-CG2 4.42Å; V3-T31 PolarHBondContact N-O 2.87Å
32	V	94.9	Very high	94.5	Very high	4 Å²	4	51 Å²	51	2%	0.024	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	126.3	-168.9	-171.2	0	0	0	0	111.3	V3 L5 V22 L25 K26 F30	V3-V32 VanDerWaalsContact O-CA 3.32Å; V3-V32 WeakPolarHBondContact O-CA 3.28Å; L5-V32 HydrophobicContact CD1-CG1 3.78Å; L5-V32 HydrophobicContact CG-CG1 3.85Å; V22-V32 HydrophobicContact CG2-CG1 4.21Å; L25-V32 HydrophobicContact CB-CG2 3.57Å; L25-V32 HydrophobicContact CD1-CG1 4.38Å; L25-V32 HydrophobicContact CD1-CG2 4.23Å; K26-V32 WeakPolarHBondContact CE-O 3.38Å; K26-V32 HydrophobicContact CG-CB 4.25Å; K26-V32 HydrophobicContact CG-CG2 4.15Å; F30-V32 HydrophobicContact CB-CG2 3.77Å
33	D	93.4	Very high	94.5	Very high	66 Å²	66	52.5 Å²	52.5	35%	0.353	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.2	164.4	-70.3	-20.4	0	0	0	110.6	Y2 V3 V4 L5 N173	Y2-D33 HydrophobicContact CE2-CB 4.23Å; Y2-D33 WeakPolarHBondContact CE2-OD2 3.44Å; Y2-D33 PolarHBondContact OH-OD2 2.98Å; V3-D33 PolarHBondContact O-N 3.26Å; V4-D33 WeakPolarHBondContact CA-O 3.5Å; V4-D33 HydrophobicContact CG2-CB 4.33Å; L5-D33 PolarHBondContact N-O 2.93Å; D33-N173 PolarHBondContact OD2-ND2 2.97Å
34	L	93.9	Very high	94.5	Very high	16 Å²	16	50.3 Å²	50.3	8%	0.084	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121	177.8	-179.3	132.7	0	0	0	109	L5 K7 I16 D19 V22 E36	L5-L34 HydrophobicContact CB-CB 4.45Å; L5-L34 HydrophobicContact CB-CD1 4.25Å; L5-L34 HydrophobicContact CB-CG 4.44Å; L5-L34 HydrophobicContact CD1-CD1 4.25Å; L5-L34 WeakPolarHBondContact O-CA 3.13Å; K7-L34 HydrophobicContact CD-CD1 4.35Å; I16-L34 HydrophobicContact CG1-CD2 4.16Å; I16-L34 HydrophobicContact CG2-CB 3.71Å; I16-L34 HydrophobicContact CG2-CD2 4.28Å; D19-L34 HydrophobicContact CB-CD1 4.27Å; V22-L34 HydrophobicContact CG2-CB 4.08Å; V22-L34 HydrophobicContact CG2-CD1 3.97Å; L34-E36 HydrophobicContact CD2-CG 3.91Å
35	L	94.4	Very high	94.4	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.8	174.4	-57.6	-172.5	0	0	0	108.7	V4 L5 K7 T37 L166 K169 L170	V4-L35 HydrophobicContact CG1-CD1 3.78Å; V4-L35 HydrophobicContact CG1-CG 3.78Å; L5-L35 PolarHBondContact O-N 3.2Å; K7-L35 PolarHBondContact N-O 2.83Å; K7-L35 VanDerWaalsContact N-O 3.16Å; L35-T37 PolarHBondContact O-N 3.25Å; L35-L166 HydrophobicContact CB-CD1 4.29Å; L35-K169 HydrophobicContact CD1-CB 4.18Å; L35-K169 HydrophobicContact CD2-CB 3.68Å; L35-K169 HydrophobicContact CD2-CD 4Å; L35-K169 HydrophobicContact CD2-CG 4.41Å; L35-L170 HydrophobicContact CD1-CB 3.92Å; L35-L170 HydrophobicContact CD1-CD1 4.12Å
36	E	93.3	Very high	94.3	Very high	62 Å²	62	56.1 Å²	56.1	29%	0.29	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	122.2	175.7	-66.6	-177.6	141.3	0	0	109.6	K7 A9 L34 N163	K7-E36 CarbonylContact O-C 3.32Å; K7-E36 WeakPolarHBondContact O-CA 3.47Å; A9-E36 VanDerWaalsContact CA-OE1 3.26Å; A9-E36 WeakPolarHBondContact CA-OE1 3.2Å; A9-E36 HydrophobicContact CB-CG 4.32Å; A9-E36 VanDerWaalsContact CB-OE1 3.26Å; A9-E36 WeakPolarHBondContact CB-OE1 3.11Å; L34-E36 HydrophobicContact CD2-CG 3.91Å; E36-N163 VanDerWaalsContact O-CB 3.3Å; E36-N163 WeakPolarHBondContact O-CB 3.07Å
37	T	93.6	Very high	94.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.			trans	-86.6	-28.6	-178.4	55.3	0	0	0	0	112.9	L6 K7 S8 L35 N163 L166 L194	L6-T37 HydrophobicContact CB-CG2 3.83Å; K7-T37 PolarHBondContact O-N 3.38Å; K7-T37 PolarHBondContact O-OG1 3.1Å; S8-T37 PolarHBondContact N-OG1 3.06Å; L35-T37 PolarHBondContact O-N 3.25Å; T37-N163 PolarHBondContact O-N 2.99Å; T37-L166 HydrophobicContact CG2-CD1 4.02Å; T37-L166 HydrophobicContact CG2-CD2 4.29Å; T37-L194 VanDerWaalsContact O-CD1 3.3Å; T37-L194 WeakPolarHBondContact O-CD1 3.22Å
38	L	91.6	Very high	94	Very high	24 Å²	24	43.8 Å²	43.8	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.6	-174.5	-69.9	171.7	0	0	0	109.9	A9 F40 V161 L194	A9-L38 PolarHBondContact N-O 3.07Å; L38-F40 HydrophobicContact CB-CE2 4.28Å; L38-F40 HydrophobicContact CB-CZ 4.21Å; L38-V161 CarbonylContact C-O 3.57Å; L38-V161 VanDerWaalsContact CA-O 3.28Å; L38-V161 WeakPolarHBondContact CA-O 3.41Å; L38-V161 WeakPolarHBondContact CD2-O 3.42Å; L38-L194 HydrophobicContact CD2-CD1 3.72Å; L38-L194 HydrophobicContact CG-CD1 4.16Å
39	D	90.2	Very high	93.7	Very high	52 Å²	52	49.8 Å²	49.8	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	168	162.6	-65.2	-32.4	0	0	0	110.2	S160 V161 N163	D39-S160 WeakPolarHBondContact O-CA 3.49Å; D39-V161 HydrophobicContact CB-CG2 3.81Å; D39-V161 PolarHBondContact N-O 3.37Å; D39-V161 PolarHBondContact O-N 2.92Å; D39-N163 VanDerWaalsContact CG-ND2 3.32Å; D39-N163 PolarHBondContact OD1-ND2 3.31Å; D39-N163 WeakPolarHBondContact OD2-CA 3.41Å; D39-N163 PolarHBondContact OD2-ND2 3.18Å
40	F	90.6	Very high	93.7	Very high	34 Å²	34	48.9 Å²	48.9	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	114.6	-178.1	-62.2	-87.7	0	0	0	110.5	A9 L38 R66 Y158 S159 S160	A9-F40 HydrophobicContact CB-CD2 4.38Å; A9-F40 HydrophobicContact CB-CE2 4.27Å; L38-F40 HydrophobicContact CB-CE2 4.28Å; L38-F40 HydrophobicContact CB-CZ 4.21Å; F40-R66 VanDerWaalsContact CD1-CD 3.43Å; F40-R66 VanDerWaalsContact CD2-NE 3.28Å; F40-R66 VanDerWaalsContact CE2-CZ 3.44Å; F40-R66 VanDerWaalsContact CE2-NE 3.34Å; F40-R66 VanDerWaalsContact CZ-NE 3.29Å; F40-Y158 AromaticContact CD1-CD2 3.84Å; F40-Y158 HydrophobicContact CD1-CD2 3.84Å; F40-Y158 AromaticContact CD1-CE2 3.88Å; F40-Y158 HydrophobicContact CD1-CE2 3.88Å; F40-Y158 HydrophobicContact CE1-CE2 4.18Å; F40-S159 WeakPolarHBondContact CA-O 3.41Å; F40-S160 VanDerWaalsContact CE1-OG 3.32Å; F40-S160 WeakPolarHBondContact CE1-OG 3.21Å
41	E	93.4	Very high	93.5	Very high	113 Å²	113	54.9 Å²	54.9	53%	0.528	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.5	173.8	-66.2	-178.3	174.9	0	0	109.1	Y158 S159 V161	E41-Y158 CarbonylContact O-C 3.44Å; E41-Y158 WeakPolarHBondContact O-CA 3.36Å; E41-Y158 VanDerWaalsContact O-CB 3.26Å; E41-Y158 WeakPolarHBondContact O-CB 3.14Å; E41-S159 PolarHBondContact N-O 2.66Å; E41-S159 PolarHBondContact O-N 3.03Å; E41-V161 HydrophobicContact CG-CG1 4.12Å; E41-V161 HydrophobicContact CG-CG2 3.98Å
42	Y	94.9	Very high	93.4	Very high	56 Å²	56	56.2 Å²	56.2	22%	0.22	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.1	-179.9	-63.9	-80.4	0	0	0	109.5	I44 I69 A70 K73	Y42-I44 PolarHBondContact O-N 3.09Å; Y42-I69 HydrophobicContact CE1-CB 4.07Å; Y42-I69 HydrophobicContact CE1-CG2 3.74Å; Y42-I69 HydrophobicContact CE2-CG2 4.47Å; Y42-A70 HydrophobicContact CD1-CB 3.62Å; Y42-A70 HydrophobicContact CE1-CB 4.25Å; Y42-K73 HydrophobicContact CD1-CD 4.42Å; Y42-K73 HydrophobicContact CD2-CD 3.78Å; Y42-K73 VanDerWaalsContact CD2-NZ 3.26Å; Y42-K73 HydrophobicContact CE2-CD 4.21Å; Y42-K73 VanDerWaalsContact CE2-NZ 3.27Å; Y42-K73 HydrophobicContact CG-CD 3.88Å
43	N	95	Very high	93.4	Very high	31 Å²	31	56.2 Å²	56.2	17%	0.166	29%	0.286	C	S	.	.			trans	-84.5	66.3	-175.1	-62.3	-22.1	0	0	0	110.3	S45 N46 L47 T156 A157 S159	N43-S45 VanDerWaalsContact C-N 3.27Å; N43-S45 PolarHBondContact O-N 3.19Å; N43-N46 HydrophobicContact CB-CB 4.15Å; N43-N46 WeakPolarHBondContact O-CB 3.47Å; N43-N46 PolarHBondContact O-N 2.89Å; N43-N46 VanDerWaalsContact O-N 3.17Å; N43-L47 PolarHBondContact O-N 2.74Å; N43-T156 WeakPolarHBondContact CB-O 3.38Å; N43-T156 VanDerWaalsContact ND2-CG2 3.35Å; N43-T156 WeakPolarHBondContact ND2-CG2 3.24Å; N43-T156 PolarHBondContact ND2-O 2.97Å; N43-A157 PolarHBondContact N-O 3.23Å; N43-S159 PolarHBondContact ND2-OG 2.89Å
44	I	95.2	Very high	93.6	Very high	59 Å²	59	56.9 Å²	56.9	30%	0.303	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-36.8	-173.4	-56.3	-49.3	0	0	0	112	Y42 N46 L47 A48 K73 A74	Y42-I44 PolarHBondContact O-N 3.09Å; I44-N46 PolarHBondContact O-N 2.95Å; I44-L47 PolarHBondContact O-N 2.84Å; I44-A48 WeakPolarHBondContact O-CB 3.41Å; I44-A48 PolarHBondContact O-N 2.89Å; I44-K73 HydrophobicContact CD1-CB 3.4Å; I44-K73 HydrophobicContact CD1-CD 4.48Å; I44-K73 HydrophobicContact CG1-CB 4.4Å; I44-A74 HydrophobicContact CD1-CB 4.29Å; I44-A74 HydrophobicContact CG2-CB 3.96Å
45	S	94.1	Very high	93.7	Very high	87 Å²	87	61.1 Å²	61.1	61%	0.608	31%	0.307	S	S	*	.	H	α-helix	trans	-58.4	-46.3	175.2	49	0	0	0	0	112.1	N43 L47 A48	N43-S45 VanDerWaalsContact C-N 3.27Å; N43-S45 PolarHBondContact O-N 3.19Å; S45-L47 PolarHBondContact O-N 3.11Å; S45-A48 WeakPolarHBondContact O-CB 3.45Å; S45-A48 PolarHBondContact O-N 3.04Å; S45-A48 VanDerWaalsContact O-N 3.16Å
46	N	93.5	Very high	93.8	Very high	70 Å²	70	65.8 Å²	65.8	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-36.4	178.6	-64.1	1.8	0	0	0	111.5	N43 I44 Y50 I155 T156	N43-N46 HydrophobicContact CB-CB 4.15Å; N43-N46 WeakPolarHBondContact O-CB 3.47Å; N43-N46 PolarHBondContact O-N 2.89Å; N43-N46 VanDerWaalsContact O-N 3.17Å; I44-N46 PolarHBondContact O-N 2.95Å; N46-Y50 VanDerWaalsContact O-CD2 3.23Å; N46-Y50 WeakPolarHBondContact O-CD2 3.25Å; N46-Y50 WeakPolarHBondContact O-CE2 3.26Å; N46-I155 HydrophobicContact CB-CG2 4.28Å; N46-T156 PolarHBondContact ND2-O 3.41Å
47	L	96	Very high	94	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-81.4	-23	179.7	-67.7	171	0	0	0	113	N43 I44 S45 E49 Y50 A70 A74 L76 F130 P132 I155 A157	N43-L47 PolarHBondContact O-N 2.74Å; I44-L47 PolarHBondContact O-N 2.84Å; S45-L47 PolarHBondContact O-N 3.11Å; L47-E49 PolarHBondContact O-N 3.33Å; L47-Y50 WeakPolarHBondContact O-CA 3.32Å; L47-Y50 WeakPolarHBondContact O-CB 3.29Å; L47-Y50 PolarHBondContact O-N 2.85Å; L47-A70 HydrophobicContact CD1-CB 3.75Å; L47-A70 WeakPolarHBondContact CD1-O 3.34Å; L47-A74 HydrophobicContact CB-CB 3.45Å; L47-A74 VanDerWaalsContact CB-CB 3.45Å; L47-A74 HydrophobicContact CD1-CB 3.99Å; L47-A74 HydrophobicContact CG-CB 4.39Å; L47-L76 HydrophobicContact CB-CD1 4.13Å; L47-L76 HydrophobicContact CD2-CD1 4.3Å; L47-F130 HydrophobicContact CD2-CZ 4.07Å; L47-P132 HydrophobicContact CD2-CB 4.18Å; L47-I155 HydrophobicContact CD2-CG2 4.07Å; L47-A157 HydrophobicContact CD1-CB 4.02Å; L47-A157 HydrophobicContact CD2-CB 4.17Å; L47-A157 HydrophobicContact CG-CB 4.42Å
48	A	91.3	Very high	94.2	Very high	41 Å²	41	64.6 Å²	64.6	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-28.6	-178.4	0	0	0	0	0	112.8	I44 S45 Y50 K51	I44-A48 WeakPolarHBondContact O-CB 3.41Å; I44-A48 PolarHBondContact O-N 2.89Å; S45-A48 WeakPolarHBondContact O-CB 3.45Å; S45-A48 PolarHBondContact O-N 3.04Å; S45-A48 VanDerWaalsContact O-N 3.16Å; A48-Y50 PolarHBondContact O-N 3.14Å; A48-K51 WeakPolarHBondContact O-CG 3.38Å
49	E	90.9	Very high	94.5	Very high	163 Å²	163	63.4 Å²	63.4	76%	0.762	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.8	173.6	-61.8	-175.8	177.6	0	0	112.7	L47	L47-E49 PolarHBondContact O-N 3.33Å
50	Y	95.1	Very high	94.9	Very high	44 Å²	44	61 Å²	61	17%	0.173	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	17.6	-174.8	-66.9	-85.1	0	0	0	113.7	N46 L47 A48 N52 W53 H57 F130 N153 I155	N46-Y50 VanDerWaalsContact O-CD2 3.23Å; N46-Y50 WeakPolarHBondContact O-CD2 3.25Å; N46-Y50 WeakPolarHBondContact O-CE2 3.26Å; L47-Y50 WeakPolarHBondContact O-CA 3.32Å; L47-Y50 WeakPolarHBondContact O-CB 3.29Å; L47-Y50 PolarHBondContact O-N 2.85Å; A48-Y50 PolarHBondContact O-N 3.14Å; Y50-N52 PolarHBondContact O-N 3.38Å; Y50-N52 VanDerWaalsContact O-N 3.1Å; Y50-W53 VanDerWaalsContact O-CB 3.25Å; Y50-W53 WeakPolarHBondContact O-CB 3.48Å; Y50-W53 VanDerWaalsContact O-CD1 3.29Å; Y50-W53 PolarHBondContact O-N 3.08Å; Y50-H57 AromaticContact CD1-CE1 3.92Å; Y50-H57 AromaticContact CE1-CE1 3.93Å; Y50-F130 HydrophobicContact CD1-CD2 4.39Å; Y50-F130 HydrophobicContact CD1-CE2 4.04Å; Y50-F130 HydrophobicContact CD1-CZ 4.37Å; Y50-F130 HydrophobicContact CG-CE2 4.03Å; Y50-F130 HydrophobicContact CG-CZ 4.05Å; Y50-N153 WeakPolarHBondContact CE1-ND2 3.42Å; Y50-N153 PolarHBondContact OH-ND2 3.07Å; Y50-I155 HydrophobicContact CD2-CG1 4.39Å; Y50-I155 HydrophobicContact CD2-CG2 4.49Å; Y50-I155 HydrophobicContact CE1-CD1 4.26Å; Y50-I155 HydrophobicContact CE1-CG1 4.27Å; Y50-I155 HydrophobicContact CE2-CD1 3.61Å; Y50-I155 HydrophobicContact CE2-CG1 3.81Å; Y50-I155 HydrophobicContact CE2-CG2 4.22Å; Y50-I155 WeakPolarHBondContact OH-CD1 3.46Å
51	K	92.6	Very high	95.3	Very high	135 Å²	135	59.4 Å²	59.4	59%	0.587	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-36	175.5	-76.9	178.2	-177.6	-176.6	0	113.5	A48 L76	A48-K51 WeakPolarHBondContact O-CG 3.38Å; K51-L76 HydrophobicContact CB-CD2 4.48Å; K51-L76 HydrophobicContact CG-CD2 4.24Å
52	N	93.1	Very high	95.4	Very high	113 Å²	113	54 Å²	54	60%	0.604	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	28.1	178.4	-63.4	-43.1	0	0	0	113	Y50 R54 N55	Y50-N52 PolarHBondContact O-N 3.38Å; Y50-N52 VanDerWaalsContact O-N 3.1Å; N52-R54 PolarHBondContact O-N 3.09Å; N52-N55 WeakPolarHBondContact O-CB 3.42Å; N52-N55 PolarHBondContact O-N 3.47Å
53	W	96.3	Very high	95.4	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-51.5	-33.8	-174.1	68.5	-88.8	0	0	0	113.3	Y50 N55 N56 H57 I60 D82 F100 F130	Y50-W53 VanDerWaalsContact O-CB 3.25Å; Y50-W53 WeakPolarHBondContact O-CB 3.48Å; Y50-W53 VanDerWaalsContact O-CD1 3.29Å; Y50-W53 PolarHBondContact O-N 3.08Å; W53-N55 PolarHBondContact O-N 3.14Å; W53-N56 CarbonylContact O-C 3.48Å; W53-N56 PolarHBondContact O-N 3.23Å; W53-H57 HydrophobicContact CE3-CB 3.99Å; W53-H57 WeakPolarHBondContact O-CB 3.36Å; W53-H57 PolarHBondContact O-N 3.48Å; W53-H57 PolarHBondContact O-ND1 3.35Å; W53-I60 HydrophobicContact CE3-CB 4.49Å; W53-I60 HydrophobicContact CH2-CB 3.87Å; W53-I60 HydrophobicContact CH2-CG2 3.8Å; W53-I60 HydrophobicContact CZ2-CB 4.38Å; W53-I60 HydrophobicContact CZ2-CG2 4.22Å; W53-I60 HydrophobicContact CZ3-CB 3.93Å; W53-I60 HydrophobicContact CZ3-CG2 4.35Å; W53-D82 HydrophobicContact CH2-CB 4.28Å; W53-D82 HydrophobicContact CZ2-CB 4.5Å; W53-F100 HydrophobicContact CZ2-CE1 4.09Å; W53-F130 HydrophobicContact CB-CD1 3.86Å; W53-F130 HydrophobicContact CB-CE1 4.09Å; W53-F130 HydrophobicContact CB-CG 4.47Å; W53-F130 AromaticContact CD2-CD1 3.75Å; W53-F130 HydrophobicContact CD2-CD1 3.75Å; W53-F130 HydrophobicContact CD2-CE1 4.34Å; W53-F130 HydrophobicContact CE3-CB 4.13Å; W53-F130 AromaticContact CE3-CD1 3.89Å; W53-F130 HydrophobicContact CE3-CD1 3.89Å; W53-F130 HydrophobicContact CE3-CG 4.47Å; W53-F130 AromaticContact CG-CD1 3.74Å; W53-F130 HydrophobicContact CG-CD1 3.74Å; W53-F130 AromaticContact CG-CE1 3.96Å; W53-F130 HydrophobicContact CG-CE1 3.96Å
54	R	96	Very high	95.3	Very high	80 Å²	80	52.6 Å²	52.6	30%	0.302	28%	0.278	S	S	.	.	H	α-helix	trans	-57.3	-28.8	178.2	-63.2	175.6	178.3	96.7	-4.5	114.4	N52 N56 T77 N79 D82	N52-R54 PolarHBondContact O-N 3.09Å; R54-N56 VanDerWaalsContact C-N 3.28Å; R54-T77 PolarHBondContact NH2-O 2.85Å; R54-N79 WeakPolarHBondContact CD-ND2 3.32Å; R54-N79 PolarHBondContact NE-ND2 3.04Å; R54-D82 WeakPolarHBondContact CD-OD1 3.35Å; R54-D82 IonicContact CZ-OD1 3.28Å; R54-D82 IonicContact CZ-OD2 3.01Å; R54-D82 IonicContact NE-OD1 3.58Å; R54-D82 PolarHBondContact NE-OD1 3.43Å; R54-D82 IonicContact NE-OD2 2.8Å; R54-D82 PolarHBondContact NE-OD2 3.41Å; R54-D82 IonicContact NH2-OD1 3.58Å; R54-D82 IonicContact NH2-OD2 3.81Å; R54-D82 PolarHBondContact NH2-OD2 3.29Å
55	N	96	Very high	95.2	Very high	105 Å²	105	50.1 Å²	50.1	56%	0.561	27%	0.266	S	S	*	.	H	α-helix	trans	-72	-30.5	177.4	-65.5	-9	0	0	0	111.1	N52 W53 K127	N52-N55 WeakPolarHBondContact O-CB 3.42Å; N52-N55 PolarHBondContact O-N 3.47Å; W53-N55 PolarHBondContact O-N 3.14Å; N55-K127 PolarHBondContact O-NZ 3.45Å
56	N	96.7	Very high	95.2	Very high	108 Å²	108	47.1 Å²	47.1	58%	0.578	24%	0.241	S	C	*	.	H	α-helix	trans	-113.6	-3.8	-167.7	-61.5	-28.1	0	0	0	113.9	W53 R54 P128	W53-N56 CarbonylContact O-C 3.48Å; W53-N56 PolarHBondContact O-N 3.23Å; R54-N56 VanDerWaalsContact C-N 3.28Å; N56-P128 WeakPolarHBondContact O-CD 3.32Å
57	H	98.2	Very high	95.3	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.065	22%	0.223	C	C	.	.			trans	-139.8	144	-176.7	-56.4	84.5	0	0	0	111	Y50 W53 P128 F130 N153	Y50-H57 AromaticContact CD1-CE1 3.92Å; Y50-H57 AromaticContact CE1-CE1 3.93Å; W53-H57 HydrophobicContact CE3-CB 3.99Å; W53-H57 WeakPolarHBondContact O-CB 3.36Å; W53-H57 PolarHBondContact O-N 3.48Å; W53-H57 PolarHBondContact O-ND1 3.35Å; H57-P128 WeakPolarHBondContact CA-O 3.45Å; H57-P128 WeakPolarHBondContact CB-O 3.31Å; H57-P128 PolarHBondContact CD2-O 3Å; H57-F130 HydrophobicContact CB-CB 4.01Å; H57-N153 PolarHBondContact NE2-ND2 3.35Å
58	S	98	Very high	95.3	Very high	22 Å²	22	43.9 Å²	43.9	15%	0.154	22%	0.224	C	C	.	.	S	Bend	trans	-82.4	-26.8	-178.7	-55.4	0	0	0	0	112.9	K124 D126 K127 P128	S58-K124 VanDerWaalsContact CB-O 3.32Å; S58-K124 WeakPolarHBondContact CB-O 3.47Å; S58-D126 PolarHBondContact OG-N 3.32Å; S58-D126 PolarHBondContact OG-OD1 3.48Å; S58-K127 WeakPolarHBondContact OG-CA 3.44Å; S58-K127 WeakPolarHBondContact OG-CB 3.43Å; S58-K127 PolarHBondContact OG-N 3.45Å; S58-K127 PolarHBondContact OG-O 3.42Å; S58-P128 PolarHBondContact N-O 3.46Å
59	C	98.1	Very high	95.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	168.7	-178.2	72.9	0	0	0	0	111.2	L83 F85 L125 F130	C59-L83 CarbonylContact C-O 3.59Å; C59-L83 WeakPolarHBondContact CA-O 3.44Å; C59-L83 HydrophobicContact CB-CB 3.81Å; C59-L83 HydrophobicContact CB-CD2 3.98Å; C59-L83 HydrophobicContact CB-CG 3.84Å; C59-L83 WeakPolarHBondContact CB-O 3.25Å; C59-F85 HydrophobicContact CB-CD2 4.29Å; C59-F85 HydrophobicContact CB-CE2 3.99Å; C59-L125 HydrophobicContact CB-CD2 3.98Å; C59-L125 VanDerWaalsContact SG-CD2 3.53Å; C59-F130 WeakPolarHBondContact O-CB 3.08Å; C59-F130 PolarHBondContact O-N 3.39Å
60	I	98.3	Very high	95.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139	171.1	-171.7	168.8	0	0	0	109.9	W53 F62 L83 C84 F85 F100 F130 P132	W53-I60 HydrophobicContact CE3-CB 4.49Å; W53-I60 HydrophobicContact CH2-CB 3.87Å; W53-I60 HydrophobicContact CH2-CG2 3.8Å; W53-I60 HydrophobicContact CZ2-CB 4.38Å; W53-I60 HydrophobicContact CZ2-CG2 4.22Å; W53-I60 HydrophobicContact CZ3-CB 3.93Å; W53-I60 HydrophobicContact CZ3-CG2 4.35Å; I60-F62 HydrophobicContact CD1-CE1 3.81Å; I60-F62 HydrophobicContact CD1-CE2 3.71Å; I60-F62 HydrophobicContact CD1-CZ 3.23Å; I60-F62 HydrophobicContact CG1-CE1 4.27Å; I60-F62 HydrophobicContact CG1-CE2 3.99Å; I60-F62 HydrophobicContact CG1-CZ 3.88Å; I60-F62 HydrophobicContact CG2-CE2 4.23Å; I60-L83 PolarHBondContact N-O 3.29Å; I60-C84 HydrophobicContact CG2-CB 3.93Å; I60-C84 WeakPolarHBondContact O-CA 3.4Å; I60-F85 PolarHBondContact O-N 3.17Å; I60-F100 HydrophobicContact CD1-CZ 4.26Å; I60-F100 HydrophobicContact CG2-CD1 4.15Å; I60-F100 HydrophobicContact CG2-CE1 3.75Å; I60-F100 HydrophobicContact CG2-CZ 4.36Å; I60-F130 CarbonylContact C-O 3.6Å; I60-F130 VanDerWaalsContact CA-O 3.3Å; I60-F130 WeakPolarHBondContact CA-O 3.47Å; I60-F130 HydrophobicContact CB-CB 4.46Å; I60-F130 HydrophobicContact CB-CD1 4.34Å; I60-F130 HydrophobicContact CD1-CD1 3.56Å; I60-F130 HydrophobicContact CD1-CE1 3.77Å; I60-F130 HydrophobicContact CG1-CB 4.42Å; I60-F130 HydrophobicContact CG1-CD1 3.81Å; I60-F130 HydrophobicContact CG1-CE1 4.44Å; I60-F130 HydrophobicContact CG1-CG 4.34Å; I60-P132 HydrophobicContact CD1-CG 4.13Å; I60-P132 HydrophobicContact CG1-CG 4.2Å
61	I	97.9	Very high	95.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.9	174	-49.2	179.7	0	0	0	110.1	F85 L113 I117 I129 F130 F131 L141 L145	I61-F85 CarbonylContact C-O 3.54Å; I61-F85 WeakPolarHBondContact CA-O 3.5Å; I61-F85 HydrophobicContact CG1-CB 4.14Å; I61-F85 HydrophobicContact CG1-CD2 4.15Å; I61-F85 HydrophobicContact CG2-CB 4.2Å; I61-L113 HydrophobicContact CG2-CD2 3.92Å; I61-I117 HydrophobicContact CD1-CD1 3.54Å; I61-I117 HydrophobicContact CG1-CD1 4.28Å; I61-I129 HydrophobicContact CD1-CG2 3.5Å; I61-I129 HydrophobicContact CG1-CG2 3.67Å; I61-F130 PolarHBondContact N-O 3.28Å; I61-F131 HydrophobicContact CB-CD2 3.92Å; I61-F131 HydrophobicContact CB-CE2 4.43Å; I61-F131 HydrophobicContact CG2-CD2 4.3Å; I61-F131 HydrophobicContact CG2-CE2 4.3Å; I61-F131 WeakPolarHBondContact O-CD2 3.4Å; I61-L141 HydrophobicContact CB-CD2 4.34Å; I61-L141 HydrophobicContact CD1-CD2 4.11Å; I61-L141 HydrophobicContact CG2-CD2 3.65Å; I61-L145 HydrophobicContact CD1-CD1 3.79Å
62	F	96.8	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.9	171.1	-62	-69.9	0	0	0	110.7	I60 V68 C71 F85 V86 V87 T91 A95 F100 P132	I60-F62 HydrophobicContact CD1-CE1 3.81Å; I60-F62 HydrophobicContact CD1-CE2 3.71Å; I60-F62 HydrophobicContact CD1-CZ 3.23Å; I60-F62 HydrophobicContact CG1-CE1 4.27Å; I60-F62 HydrophobicContact CG1-CE2 3.99Å; I60-F62 HydrophobicContact CG1-CZ 3.88Å; I60-F62 HydrophobicContact CG2-CE2 4.23Å; F62-V68 HydrophobicContact CB-CG2 3.86Å; F62-V68 HydrophobicContact CD1-CG2 3.8Å; F62-V68 HydrophobicContact CD2-CG2 3.81Å; F62-V68 HydrophobicContact CE1-CG2 4.19Å; F62-V68 HydrophobicContact CE2-CG2 4.22Å; F62-V68 HydrophobicContact CG-CG2 3.56Å; F62-V68 HydrophobicContact CZ-CG2 4.38Å; F62-C71 HydrophobicContact CE1-CB 4.17Å; F62-C71 HydrophobicContact CZ-CB 4.21Å; F62-F85 PolarHBondContact N-O 2.8Å; F62-V86 HydrophobicContact CB-CG1 4.24Å; F62-V86 CarbonylContact O-C 3.56Å; F62-V86 VanDerWaalsContact O-CA 3.22Å; F62-V86 WeakPolarHBondContact O-CA 3.28Å; F62-V87 PolarHBondContact O-N 3.34Å; F62-T91 HydrophobicContact CB-CG2 3.54Å; F62-T91 WeakPolarHBondContact O-CG2 3.48Å; F62-A95 HydrophobicContact CD2-CB 4.42Å; F62-F100 AromaticContact CE2-CD2 3.99Å; F62-F100 HydrophobicContact CE2-CD2 3.99Å; F62-F100 AromaticContact CE2-CE2 3.73Å; F62-F100 HydrophobicContact CE2-CE2 3.73Å; F62-F100 HydrophobicContact CE2-CZ 4.06Å; F62-F100 AromaticContact CZ-CE2 3.97Å; F62-F100 HydrophobicContact CZ-CE2 3.97Å; F62-F100 HydrophobicContact CZ-CZ 4.2Å; F62-P132 HydrophobicContact CD1-CG 3.76Å; F62-P132 HydrophobicContact CE1-CG 3.45Å; F62-P132 VanDerWaalsContact CE1-CG 3.45Å; F62-P132 HydrophobicContact CZ-CG 4.4Å
63	S	93.7	Very high	96.1	Very high	45 Å²	45	30.6 Å²	30.6	32%	0.315	16%	0.158	S	C	.	.	S	Bend	trans	-96.1	-5.4	174.2	57.4	0	0	0	0	113.4
64	S	92.6	Very high	96	Very high	13 Å²	13	30.9 Å²	30.9	9%	0.091	16%	0.161	C	C	.	.	S	Bend	trans	-147.4	138.5	-175	175.5	0	0	0	0	110.3	R66 S67 Y158	S64-R66 PolarHBondContact O-N 2.87Å; S64-R66 PolarHBondContact OG-N 3.4Å; S64-S67 WeakPolarHBondContact O-CB 3.43Å; S64-S67 PolarHBondContact O-N 2.8Å; S64-Y158 PolarHBondContact OG-OH 2.87Å; S64-Y158 VanDerWaalsContact OG-OH 3.12Å
65	P	93.7	Very high	96	Very high	7 Å²	7	29.7 Å²	29.7	5%	0.045	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-31.4	173.4	-20.7	33.4	0	0	0	111.9	E11 S67 V68 I69 S90 T91 Q94	E11-P65 WeakPolarHBondContact OE1-CD 3.41Å; E11-P65 WeakPolarHBondContact OE2-CB 3.44Å; E11-P65 WeakPolarHBondContact OE2-CG 3.48Å; P65-S67 VanDerWaalsContact C-N 3.31Å; P65-S67 PolarHBondContact O-N 2.99Å; P65-V68 WeakPolarHBondContact O-CB 3.35Å; P65-V68 PolarHBondContact O-N 3.44Å; P65-V68 VanDerWaalsContact O-N 3.12Å; P65-I69 WeakPolarHBondContact O-CG1 3.45Å; P65-I69 PolarHBondContact O-N 2.79Å; P65-S90 WeakPolarHBondContact CG-OG 3.35Å; P65-T91 WeakPolarHBondContact CD-OG1 3.47Å; P65-Q94 HydrophobicContact CB-CB 4.33Å; P65-Q94 HydrophobicContact CB-CG 3.69Å
66	R	93.8	Very high	96	Very high	24 Å²	24	24.9 Å²	24.9	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-33.9	174.1	-71.3	177	171.3	79.8	-1.9	113.4	A9 E11 F40 S64 V68 I69 A70 Y158	A9-R66 PolarHBondContact O-NH2 2.94Å; E11-R66 HydrophobicContact CG-CG 4.16Å; E11-R66 VanDerWaalsContact CG-NH1 3.28Å; E11-R66 IonicContact OE1-CZ 2.61Å; E11-R66 IonicContact OE1-NH1 3.8Å; E11-R66 PolarHBondContact OE1-NH1 2.79Å; F40-R66 VanDerWaalsContact CD1-CD 3.43Å; F40-R66 VanDerWaalsContact CD2-NE 3.28Å; F40-R66 VanDerWaalsContact CE2-CZ 3.44Å; F40-R66 VanDerWaalsContact CE2-NE 3.34Å; F40-R66 VanDerWaalsContact CZ-NE 3.29Å; S64-R66 PolarHBondContact O-N 2.87Å; S64-R66 PolarHBondContact OG-N 3.4Å; R66-V68 VanDerWaalsContact C-N 3.26Å; R66-V68 PolarHBondContact O-N 3.28Å; R66-I69 PolarHBondContact O-N 3.37Å; R66-A70 WeakPolarHBondContact O-CB 3.47Å; R66-A70 PolarHBondContact O-N 3.4Å; R66-Y158 HydrophobicContact CB-CD1 3.86Å; R66-Y158 HydrophobicContact CB-CD2 4.43Å; R66-Y158 HydrophobicContact CB-CE1 3.6Å; R66-Y158 HydrophobicContact CB-CE2 4.22Å; R66-Y158 HydrophobicContact CB-CG 4.26Å
67	S	95.4	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-36.7	173.9	-65.4	0	0	0	0	111.6	S64 P65 C71 P132 C133	S64-S67 WeakPolarHBondContact O-CB 3.43Å; S64-S67 PolarHBondContact O-N 2.8Å; P65-S67 VanDerWaalsContact C-N 3.31Å; P65-S67 PolarHBondContact O-N 2.99Å; S67-C71 PolarHBondContact O-N 2.93Å; S67-C71 VanDerWaalsContact O-N 3.09Å; S67-C71 PolarHBondContact O-SG 2.92Å; S67-P132 WeakPolarHBondContact CB-O 3.46Å; S67-P132 PolarHBondContact OG-O 2.68Å; S67-C133 WeakPolarHBondContact OG-CA 3.36Å
68	V	96.5	Very high	95.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-48.5	174.5	-173.2	0	0	0	0	110.1	F62 P65 R66 A70 C71 V72 T91 Q94 A95 A98	F62-V68 HydrophobicContact CB-CG2 3.86Å; F62-V68 HydrophobicContact CD1-CG2 3.8Å; F62-V68 HydrophobicContact CD2-CG2 3.81Å; F62-V68 HydrophobicContact CE1-CG2 4.19Å; F62-V68 HydrophobicContact CE2-CG2 4.22Å; F62-V68 HydrophobicContact CG-CG2 3.56Å; F62-V68 HydrophobicContact CZ-CG2 4.38Å; P65-V68 WeakPolarHBondContact O-CB 3.35Å; P65-V68 PolarHBondContact O-N 3.44Å; P65-V68 VanDerWaalsContact O-N 3.12Å; R66-V68 VanDerWaalsContact C-N 3.26Å; R66-V68 PolarHBondContact O-N 3.28Å; V68-A70 VanDerWaalsContact C-N 3.29Å; V68-A70 PolarHBondContact O-N 3.15Å; V68-C71 WeakPolarHBondContact O-CB 3.43Å; V68-C71 PolarHBondContact O-N 2.85Å; V68-C71 VanDerWaalsContact O-N 3.14Å; V68-V72 HydrophobicContact CG1-CG2 4.43Å; V68-V72 WeakPolarHBondContact O-CG2 3.23Å; V68-V72 PolarHBondContact O-N 2.72Å; V68-T91 HydrophobicContact CG2-CG2 4.06Å; V68-Q94 HydrophobicContact CB-CB 3.96Å; V68-Q94 HydrophobicContact CG1-CB 4.02Å; V68-Q94 HydrophobicContact CG2-CB 4.17Å; V68-A95 HydrophobicContact CG2-CB 4.28Å; V68-A98 HydrophobicContact CG1-CB 3.63Å
69	I	95.1	Very high	95.6	Very high	33 Å²	33	24.8 Å²	24.8	17%	0.169	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-42.9	178.2	-64.8	165.8	0	0	0	110.7	Y42 P65 R66 C71 V72 K73	Y42-I69 HydrophobicContact CE1-CB 4.07Å; Y42-I69 HydrophobicContact CE1-CG2 3.74Å; Y42-I69 HydrophobicContact CE2-CG2 4.47Å; P65-I69 WeakPolarHBondContact O-CG1 3.45Å; P65-I69 PolarHBondContact O-N 2.79Å; R66-I69 PolarHBondContact O-N 3.37Å; I69-C71 VanDerWaalsContact C-N 3.35Å; I69-C71 PolarHBondContact O-N 3.28Å; I69-V72 PolarHBondContact O-N 2.87Å; I69-K73 HydrophobicContact CG2-CD 4.25Å; I69-K73 HydrophobicContact CG2-CG 4.39Å; I69-K73 WeakPolarHBondContact O-CB 3.22Å; I69-K73 WeakPolarHBondContact O-CG 3.48Å; I69-K73 PolarHBondContact O-N 2.97Å
70	A	96.1	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.3	-47.8	175.7	0	0	0	0	0	111.8	Y42 L47 R66 V68 K73 A74 A157	Y42-A70 HydrophobicContact CD1-CB 3.62Å; Y42-A70 HydrophobicContact CE1-CB 4.25Å; L47-A70 HydrophobicContact CD1-CB 3.75Å; L47-A70 WeakPolarHBondContact CD1-O 3.34Å; R66-A70 WeakPolarHBondContact O-CB 3.47Å; R66-A70 PolarHBondContact O-N 3.4Å; V68-A70 VanDerWaalsContact C-N 3.29Å; V68-A70 PolarHBondContact O-N 3.15Å; A70-K73 PolarHBondContact O-N 3.43Å; A70-A74 WeakPolarHBondContact O-CB 3.3Å; A70-A74 PolarHBondContact O-N 3.01Å; A70-A157 HydrophobicContact CB-CB 3.82Å; A70-A157 WeakPolarHBondContact CB-O 3.35Å
71	C	97	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-46.7	177.4	-73.9	0	0	0	0	111.7	F62 S67 V68 I69 K73 A74 G75 L76	F62-C71 HydrophobicContact CE1-CB 4.17Å; F62-C71 HydrophobicContact CZ-CB 4.21Å; S67-C71 PolarHBondContact O-N 2.93Å; S67-C71 VanDerWaalsContact O-N 3.09Å; S67-C71 PolarHBondContact O-SG 2.92Å; V68-C71 WeakPolarHBondContact O-CB 3.43Å; V68-C71 PolarHBondContact O-N 2.85Å; V68-C71 VanDerWaalsContact O-N 3.14Å; I69-C71 VanDerWaalsContact C-N 3.35Å; I69-C71 PolarHBondContact O-N 3.28Å; C71-K73 PolarHBondContact O-N 3.3Å; C71-A74 CarbonylContact O-C 3.3Å; C71-A74 WeakPolarHBondContact O-CA 3.5Å; C71-A74 PolarHBondContact O-N 3Å; C71-G75 PolarHBondContact O-N 2.86Å; C71-G75 VanDerWaalsContact O-N 3.17Å; C71-L76 HydrophobicContact CB-CB 3.94Å; C71-L76 WeakPolarHBondContact O-CA 3.44Å; C71-L76 WeakPolarHBondContact O-CB 3.33Å; C71-L76 PolarHBondContact O-N 2.95Å
72	V	95.9	Very high	95	Very high	64 Å²	64	39.3 Å²	39.3	39%	0.388	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-45.2	177	173.3	0	0	0	0	111.2	V68 I69 A74 G75 A98	V68-V72 HydrophobicContact CG1-CG2 4.43Å; V68-V72 WeakPolarHBondContact O-CG2 3.23Å; V68-V72 PolarHBondContact O-N 2.72Å; I69-V72 PolarHBondContact O-N 2.87Å; V72-A74 PolarHBondContact O-N 3.44Å; V72-G75 PolarHBondContact O-N 2.77Å; V72-A98 HydrophobicContact CG2-CB 3.47Å; V72-A98 VanDerWaalsContact CG2-CB 3.47Å
73	K	95.1	Very high	95	Very high	120 Å²	120	40.5 Å²	40.5	52%	0.522	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-28.9	175.5	-74.7	-175	173.8	-161.3	0	112.8	Y42 I44 I69 A70 C71 G75	Y42-K73 HydrophobicContact CD1-CD 4.42Å; Y42-K73 HydrophobicContact CD2-CD 3.78Å; Y42-K73 VanDerWaalsContact CD2-NZ 3.26Å; Y42-K73 HydrophobicContact CE2-CD 4.21Å; Y42-K73 VanDerWaalsContact CE2-NZ 3.27Å; Y42-K73 HydrophobicContact CG-CD 3.88Å; I44-K73 HydrophobicContact CD1-CB 3.4Å; I44-K73 HydrophobicContact CD1-CD 4.48Å; I44-K73 HydrophobicContact CG1-CB 4.4Å; I69-K73 HydrophobicContact CG2-CD 4.25Å; I69-K73 HydrophobicContact CG2-CG 4.39Å; I69-K73 WeakPolarHBondContact O-CB 3.22Å; I69-K73 WeakPolarHBondContact O-CG 3.48Å; I69-K73 PolarHBondContact O-N 2.97Å; A70-K73 PolarHBondContact O-N 3.43Å; C71-K73 PolarHBondContact O-N 3.3Å; K73-G75 VanDerWaalsContact C-N 3.3Å
74	A	95.9	Very high	95.2	Very high	11 Å²	11	38.4 Å²	38.4	9%	0.091	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2.1	174.2	0	0	0	0	0	114.3	I44 L47 A70 C71 V72 L76	I44-A74 HydrophobicContact CD1-CB 4.29Å; I44-A74 HydrophobicContact CG2-CB 3.96Å; L47-A74 HydrophobicContact CB-CB 3.45Å; L47-A74 VanDerWaalsContact CB-CB 3.45Å; L47-A74 HydrophobicContact CD1-CB 3.99Å; L47-A74 HydrophobicContact CG-CB 4.39Å; A70-A74 WeakPolarHBondContact O-CB 3.3Å; A70-A74 PolarHBondContact O-N 3.01Å; C71-A74 CarbonylContact O-C 3.3Å; C71-A74 WeakPolarHBondContact O-CA 3.5Å; C71-A74 PolarHBondContact O-N 3Å; V72-A74 PolarHBondContact O-N 3.44Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 HydrophobicContact CB-CG 4.28Å
75	G	95.1	Very high	95.5	Very high	55 Å²	55	37.8 Å²	37.8	57%	0.567	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	15.3	-177.5	0	0	0	0	0	114.1	C71 V72 K73 T77	C71-G75 PolarHBondContact O-N 2.86Å; C71-G75 VanDerWaalsContact O-N 3.17Å; V72-G75 PolarHBondContact O-N 2.77Å; K73-G75 VanDerWaalsContact C-N 3.3Å; G75-T77 PolarHBondContact O-N 3.45Å
76	L	95.7	Very high	95.7	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	21%	0.211	C	C	.	.			trans	-92.8	75.1	176.5	-51.4	-176	0	0	0	110	L47 K51 C71 A74 F130	L47-L76 HydrophobicContact CB-CD1 4.13Å; L47-L76 HydrophobicContact CD2-CD1 4.3Å; K51-L76 HydrophobicContact CB-CD2 4.48Å; K51-L76 HydrophobicContact CG-CD2 4.24Å; C71-L76 HydrophobicContact CB-CB 3.94Å; C71-L76 WeakPolarHBondContact O-CA 3.44Å; C71-L76 WeakPolarHBondContact O-CB 3.33Å; C71-L76 PolarHBondContact O-N 2.95Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 HydrophobicContact CB-CG 4.28Å; L76-F130 HydrophobicContact CD1-CE1 4.13Å; L76-F130 HydrophobicContact CD1-CZ 4.18Å
77	T	95.3	Very high	95.7	Very high	76 Å²	76	37.4 Å²	37.4	47%	0.466	21%	0.213	S	C	.	.			trans	-83.3	159.6	171.2	54.7	0	0	0	0	111.3	R54 G75	R54-T77 PolarHBondContact NH2-O 2.85Å; G75-T77 PolarHBondContact O-N 3.45Å
78	G	95.6	Very high	95.5	Very high	15 Å²	15	37.9 Å²	37.9	16%	0.155	22%	0.218	C	C	.	.			trans	-82	165.5	178.5	0	0	0	0	0	113.7	D82 A98 G99 F100	G78-D82 WeakPolarHBondContact CA-OD2 3.46Å; G78-A98 PolarHBondContact N-O 2.84Å; G78-G99 CarbonylContact C-O 3.59Å; G78-F100 VanDerWaalsContact CA-CZ 3.45Å
79	N	94.2	Very high	95.3	Very high	52 Å²	52	42.3 Å²	42.3	28%	0.278	25%	0.247	S	C	.	.			trans	-131	165.6	164.2	72.7	51.6	0	0	0	109.9	R54 N81 D82 G99	R54-N79 WeakPolarHBondContact CD-ND2 3.32Å; R54-N79 PolarHBondContact NE-ND2 3.04Å; N79-N81 VanDerWaalsContact C-N 3.25Å; N79-N81 PolarHBondContact O-N 3.29Å; N79-N81 VanDerWaalsContact OD1-CA 3.31Å; N79-N81 WeakPolarHBondContact OD1-CA 3.36Å; N79-N81 WeakPolarHBondContact OD1-CB 3.48Å; N79-N81 PolarHBondContact OD1-N 3.46Å; N79-D82 VanDerWaalsContact CG-OD1 3.29Å; N79-D82 PolarHBondContact N-OD2 3.24Å; N79-D82 PolarHBondContact ND2-OD1 2.91Å; N79-D82 PolarHBondContact ND2-OD2 3.28Å; N79-D82 WeakPolarHBondContact O-CB 3.45Å; N79-D82 PolarHBondContact O-N 3.47Å; N79-D82 PolarHBondContact OD1-N 3.2Å; N79-D82 PolarHBondContact OD1-OD1 2.92Å; N79-G99 CarbonylContact C-O 3.47Å; N79-G99 PolarHBondContact N-O 2.91Å
80	E	89.9	Confident	95	Very high	149 Å²	149	43.8 Å²	43.8	70%	0.696	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.2	-178.2	63.5	-164.2	-172.4	0	0	115.2	L101	E80-L101 HydrophobicContact CB-CD1 4.3Å
81	N	94.1	Very high	94.9	Very high	139 Å²	139	43.9 Å²	43.9	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.8	179.7	-64.4	-54.5	0	0	0	112.8	N79 L83	N79-N81 VanDerWaalsContact C-N 3.25Å; N79-N81 PolarHBondContact O-N 3.29Å; N79-N81 VanDerWaalsContact OD1-CA 3.31Å; N79-N81 WeakPolarHBondContact OD1-CA 3.36Å; N79-N81 WeakPolarHBondContact OD1-CB 3.48Å; N79-N81 PolarHBondContact OD1-N 3.46Å; N81-L83 PolarHBondContact O-N 2.98Å
82	D	97.1	Very high	94.9	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.091	27%	0.272	C	S	.	.			trans	-69.2	126.4	-178.5	-70.2	-30	0	0	0	110.5	W53 R54 G78 N79 C84 F100	W53-D82 HydrophobicContact CH2-CB 4.28Å; W53-D82 HydrophobicContact CZ2-CB 4.5Å; R54-D82 WeakPolarHBondContact CD-OD1 3.35Å; R54-D82 IonicContact CZ-OD1 3.28Å; R54-D82 IonicContact CZ-OD2 3.01Å; R54-D82 IonicContact NE-OD1 3.58Å; R54-D82 PolarHBondContact NE-OD1 3.43Å; R54-D82 IonicContact NE-OD2 2.8Å; R54-D82 PolarHBondContact NE-OD2 3.41Å; R54-D82 IonicContact NH2-OD1 3.58Å; R54-D82 IonicContact NH2-OD2 3.81Å; R54-D82 PolarHBondContact NH2-OD2 3.29Å; G78-D82 WeakPolarHBondContact CA-OD2 3.46Å; N79-D82 VanDerWaalsContact CG-OD1 3.29Å; N79-D82 PolarHBondContact N-OD2 3.24Å; N79-D82 PolarHBondContact ND2-OD1 2.91Å; N79-D82 PolarHBondContact ND2-OD2 3.28Å; N79-D82 WeakPolarHBondContact O-CB 3.45Å; N79-D82 PolarHBondContact O-N 3.47Å; N79-D82 PolarHBondContact OD1-N 3.2Å; N79-D82 PolarHBondContact OD1-OD1 2.92Å; D82-C84 PolarHBondContact O-N 3.14Å; D82-C84 VanDerWaalsContact O-N 3.12Å; D82-F100 HydrophobicContact CB-CD1 3.91Å; D82-F100 HydrophobicContact CB-CE1 4.14Å; D82-F100 WeakPolarHBondContact OD2-CE1 3.37Å
83	L	97.6	Very high	94.8	Very high	26 Å²	26	47.2 Å²	47.2	14%	0.136	27%	0.274	C	S	.	.			trans	-75.3	103.9	166.2	-170	58.7	0	0	0	108.5	C59 I60 N81 F85 F121 K124 L125	C59-L83 CarbonylContact C-O 3.59Å; C59-L83 WeakPolarHBondContact CA-O 3.44Å; C59-L83 HydrophobicContact CB-CB 3.81Å; C59-L83 HydrophobicContact CB-CD2 3.98Å; C59-L83 HydrophobicContact CB-CG 3.84Å; C59-L83 WeakPolarHBondContact CB-O 3.25Å; I60-L83 PolarHBondContact N-O 3.29Å; N81-L83 PolarHBondContact O-N 2.98Å; L83-F85 HydrophobicContact CD1-CE1 4.26Å; L83-F85 HydrophobicContact CD1-CE2 4.08Å; L83-F85 HydrophobicContact CD1-CZ 3.63Å; L83-F85 HydrophobicContact CD2-CE2 3.87Å; L83-F85 HydrophobicContact CD2-CZ 3.88Å; L83-F85 HydrophobicContact CG-CE2 3.58Å; L83-F85 HydrophobicContact CG-CZ 3.65Å; L83-F121 HydrophobicContact CD1-CD1 3.78Å; L83-F121 HydrophobicContact CD1-CE1 3.86Å; L83-F121 HydrophobicContact CD2-CB 4.47Å; L83-F121 HydrophobicContact CD2-CD1 4.09Å; L83-K124 HydrophobicContact CD2-CB 4.24Å; L83-L125 HydrophobicContact CD2-CD2 4.16Å
84	C	98.3	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.8	-178.9	179.5	0	0	0	0	110.9	I60 D82 F100 P102 K103	I60-C84 HydrophobicContact CG2-CB 3.93Å; I60-C84 WeakPolarHBondContact O-CA 3.4Å; D82-C84 PolarHBondContact O-N 3.14Å; D82-C84 VanDerWaalsContact O-N 3.12Å; C84-F100 HydrophobicContact CB-CB 3.9Å; C84-F100 HydrophobicContact CB-CD1 3.8Å; C84-F100 HydrophobicContact CB-CG 4.12Å; C84-P102 CarbonylContact O-C 3.46Å; C84-P102 WeakPolarHBondContact O-CA 3.47Å; C84-K103 PolarHBondContact O-N 3.44Å
85	F	98.2	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.8	173.8	-56.9	-77.5	0	0	0	111.3	C59 I60 I61 F62 L83 K103 L113 F116 I117 F121	C59-F85 HydrophobicContact CB-CD2 4.29Å; C59-F85 HydrophobicContact CB-CE2 3.99Å; I60-F85 PolarHBondContact O-N 3.17Å; I61-F85 CarbonylContact C-O 3.54Å; I61-F85 WeakPolarHBondContact CA-O 3.5Å; I61-F85 HydrophobicContact CG1-CB 4.14Å; I61-F85 HydrophobicContact CG1-CD2 4.15Å; I61-F85 HydrophobicContact CG2-CB 4.2Å; F62-F85 PolarHBondContact N-O 2.8Å; L83-F85 HydrophobicContact CD1-CE1 4.26Å; L83-F85 HydrophobicContact CD1-CE2 4.08Å; L83-F85 HydrophobicContact CD1-CZ 3.63Å; L83-F85 HydrophobicContact CD2-CE2 3.87Å; L83-F85 HydrophobicContact CD2-CZ 3.88Å; L83-F85 HydrophobicContact CG-CE2 3.58Å; L83-F85 HydrophobicContact CG-CZ 3.65Å; F85-K103 CarbonylContact C-O 3.57Å; F85-K103 VanDerWaalsContact CA-O 3.27Å; F85-K103 WeakPolarHBondContact CA-O 3.21Å; F85-K103 HydrophobicContact CD1-CB 3.91Å; F85-K103 HydrophobicContact CE1-CB 4.13Å; F85-L113 HydrophobicContact CB-CD1 4.29Å; F85-L113 HydrophobicContact CB-CD2 4.4Å; F85-F116 HydrophobicContact CD1-CD1 4.49Å; F85-F116 HydrophobicContact CD1-CE1 4.18Å; F85-F116 HydrophobicContact CE1-CE1 4.03Å; F85-I117 HydrophobicContact CB-CD1 3.89Å; F85-I117 HydrophobicContact CB-CG1 4.39Å; F85-I117 HydrophobicContact CD1-CD1 4.15Å; F85-I117 HydrophobicContact CD1-CG1 3.71Å; F85-I117 HydrophobicContact CD2-CD1 3.73Å; F85-I117 HydrophobicContact CD2-CG1 3.91Å; F85-I117 HydrophobicContact CE1-CG1 3.86Å; F85-I117 HydrophobicContact CE2-CD1 4.26Å; F85-I117 HydrophobicContact CE2-CG1 4.03Å; F85-I117 HydrophobicContact CE2-CG2 4.23Å; F85-I117 HydrophobicContact CG-CD1 3.65Å; F85-I117 HydrophobicContact CG-CG1 3.74Å; F85-I117 HydrophobicContact CZ-CG1 4.01Å; F85-I117 HydrophobicContact CZ-CG2 4.38Å; F85-F121 HydrophobicContact CE1-CD1 4.43Å; F85-F121 AromaticContact CE1-CD2 3.68Å; F85-F121 HydrophobicContact CE1-CD2 3.68Å; F85-F121 AromaticContact CE1-CE2 3.84Å; F85-F121 HydrophobicContact CE1-CE2 3.84Å; F85-F121 HydrophobicContact CE1-CG 4.03Å; F85-F121 HydrophobicContact CE1-CZ 4.31Å; F85-F121 HydrophobicContact CZ-CB 3.92Å; F85-F121 AromaticContact CZ-CD1 3.99Å; F85-F121 HydrophobicContact CZ-CD1 3.99Å; F85-F121 AromaticContact CZ-CD2 3.73Å; F85-F121 HydrophobicContact CZ-CD2 3.73Å; F85-F121 HydrophobicContact CZ-CE1 4.5Å; F85-F121 HydrophobicContact CZ-CE2 4.28Å; F85-F121 AromaticContact CZ-CG 3.6Å; F85-F121 HydrophobicContact CZ-CG 3.6Å
86	V	97.2	Very high	95	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.5	-178.2	-58.9	0	0	0	0	112.4	F62 T91 E92 A95 P102 K103 G104 A105	F62-V86 HydrophobicContact CB-CG1 4.24Å; F62-V86 CarbonylContact O-C 3.56Å; F62-V86 VanDerWaalsContact O-CA 3.22Å; F62-V86 WeakPolarHBondContact O-CA 3.28Å; V86-T91 HydrophobicContact CB-CG2 3.94Å; V86-T91 HydrophobicContact CG1-CG2 4Å; V86-E92 HydrophobicContact CG2-CB 3.81Å; V86-E92 HydrophobicContact CG2-CG 4.05Å; V86-A95 HydrophobicContact CG1-CB 3.85Å; V86-P102 HydrophobicContact CB-CB 4.22Å; V86-P102 HydrophobicContact CG1-CB 3.4Å; V86-P102 VanDerWaalsContact CG1-CB 3.4Å; V86-P102 HydrophobicContact CG1-CG 4.41Å; V86-P102 HydrophobicContact CG2-CB 3.76Å; V86-K103 PolarHBondContact N-O 3.37Å; V86-G104 CarbonylContact O-C 3.58Å; V86-G104 VanDerWaalsContact O-C 3.3Å; V86-A105 HydrophobicContact CG2-CB 3.72Å; V86-A105 PolarHBondContact O-N 2.89Å
87	V	93.7	Very high	95	Very high	23 Å²	23	50.9 Å²	50.9	14%	0.139	27%	0.273	C	S	.	.	S	Bend	trans	-96.4	115.8	166	-176.2	0	0	0	0	109.2	F62 T91 L113	F62-V87 PolarHBondContact O-N 3.34Å; V87-T91 VanDerWaalsContact O-CB 3.28Å; V87-T91 WeakPolarHBondContact O-CB 3.35Å; V87-T91 PolarHBondContact O-OG1 3.38Å; V87-L113 HydrophobicContact CG2-CB 4.38Å; V87-L113 HydrophobicContact CG2-CD2 3.43Å; V87-L113 VanDerWaalsContact CG2-CD2 3.43Å
88	G	91.9	Very high	95.1	Very high	11 Å²	11	47.8 Å²	47.8	11%	0.113	26%	0.255	C	S	.	.	S	Bend	trans	82.9	159.2	168.4	0	0	0	0	0	116	S90 T91 E92 A105	G88-S90 PolarHBondContact O-N 2.87Å; G88-T91 PolarHBondContact O-N 3.1Å; G88-E92 PolarHBondContact O-N 2.82Å; G88-E92 VanDerWaalsContact O-N 3.15Å; G88-A105 WeakPolarHBondContact CA-O 3.46Å; G88-A105 PolarHBondContact N-O 3.33Å
89	P	91.6	Very high	95.2	Very high	95 Å²	95	48.8 Å²	48.8	62%	0.617	27%	0.265	S	S	*	.	H	α-helix	trans	-65.7	-32.8	-174.1	-24.2	34.8	0	0	0	115.2	T91 E92 L93	P89-T91 VanDerWaalsContact C-N 3.35Å; P89-E92 WeakPolarHBondContact O-CB 3.12Å; P89-E92 PolarHBondContact O-N 3.26Å; P89-L93 PolarHBondContact O-N 2.77Å
90	S	90.5	Very high	95.3	Very high	63 Å²	63	46.4 Å²	46.4	44%	0.441	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-40.3	179	53.7	0	0	0	0	111.7	P65 G88 L93 Q94	P65-S90 WeakPolarHBondContact CG-OG 3.35Å; G88-S90 PolarHBondContact O-N 2.87Å; S90-L93 PolarHBondContact O-N 3.31Å; S90-Q94 PolarHBondContact O-N 2.89Å
91	T	94.2	Very high	95.7	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-69.8	-39.6	177.2	-46.8	0	0	0	0	110.4	F62 P65 V68 V86 V87 G88 P89 L93 Q94 A95	F62-T91 HydrophobicContact CB-CG2 3.54Å; F62-T91 WeakPolarHBondContact O-CG2 3.48Å; P65-T91 WeakPolarHBondContact CD-OG1 3.47Å; V68-T91 HydrophobicContact CG2-CG2 4.06Å; V86-T91 HydrophobicContact CB-CG2 3.94Å; V86-T91 HydrophobicContact CG1-CG2 4Å; V87-T91 VanDerWaalsContact O-CB 3.28Å; V87-T91 WeakPolarHBondContact O-CB 3.35Å; V87-T91 PolarHBondContact O-OG1 3.38Å; G88-T91 PolarHBondContact O-N 3.1Å; P89-T91 VanDerWaalsContact C-N 3.35Å; T91-L93 VanDerWaalsContact C-N 3.35Å; T91-L93 PolarHBondContact O-N 2.93Å; T91-Q94 PolarHBondContact O-N 2.94Å; T91-A95 WeakPolarHBondContact O-CB 3.49Å; T91-A95 PolarHBondContact O-N 3.44Å
92	E	95.9	Very high	95.8	Very high	52 Å²	52	38 Å²	38	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-47.4	174.1	-161.4	-159.4	-149.1	0	0	112.1	V86 G88 P89 Q94 A95 K96 P102 A105	V86-E92 HydrophobicContact CG2-CB 3.81Å; V86-E92 HydrophobicContact CG2-CG 4.05Å; G88-E92 PolarHBondContact O-N 2.82Å; G88-E92 VanDerWaalsContact O-N 3.15Å; P89-E92 WeakPolarHBondContact O-CB 3.12Å; P89-E92 PolarHBondContact O-N 3.26Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 2.99Å; E92-A95 PolarHBondContact O-N 3.04Å; E92-K96 HydrophobicContact CG-CD 4.28Å; E92-K96 WeakPolarHBondContact O-CB 3.34Å; E92-K96 WeakPolarHBondContact O-CG 3.5Å; E92-K96 PolarHBondContact O-N 3.42Å; E92-K96 WeakPolarHBondContact OE1-CE 3.23Å; E92-K96 IonicContact OE1-NZ 2.75Å; E92-K96 PolarHBondContact OE1-NZ 2.94Å; E92-K96 IonicContact OE2-NZ 3.7Å; E92-K96 PolarHBondContact OE2-NZ 3.26Å; E92-P102 HydrophobicContact CB-CG 4.42Å; E92-P102 HydrophobicContact CG-CB 4.18Å; E92-P102 HydrophobicContact CG-CG 3.46Å; E92-P102 VanDerWaalsContact CG-CG 3.46Å; E92-A105 HydrophobicContact CB-CB 3.78Å; E92-A105 HydrophobicContact CG-CB 3.9Å
93	L	94.8	Very high	95.8	Very high	82 Å²	82	41.5 Å²	41.5	43%	0.429	23%	0.227	S	C	.	.	H	α-helix	trans	-58.2	-45.2	178.1	178.3	62.8	0	0	0	111.7	P89 S90 T91 K97	P89-L93 PolarHBondContact O-N 2.77Å; S90-L93 PolarHBondContact O-N 3.31Å; T91-L93 VanDerWaalsContact C-N 3.35Å; T91-L93 PolarHBondContact O-N 2.93Å; L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 3.12Å; L93-K97 VanDerWaalsContact O-N 3.14Å
94	Q	95.3	Very high	95.6	Very high	22 Å²	22	41 Å²	41	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-41.9	177.8	-67.2	-55.9	-25.4	0	0	112.2	N12 P65 V68 S90 T91 E92 K96 K97 A98	N12-Q94 PolarHBondContact OD1-NE2 3.17Å; P65-Q94 HydrophobicContact CB-CB 4.33Å; P65-Q94 HydrophobicContact CB-CG 3.69Å; V68-Q94 HydrophobicContact CB-CB 3.96Å; V68-Q94 HydrophobicContact CG1-CB 4.02Å; V68-Q94 HydrophobicContact CG2-CB 4.17Å; S90-Q94 PolarHBondContact O-N 2.89Å; T91-Q94 PolarHBondContact O-N 2.94Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 2.99Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 2.81Å; Q94-K97 WeakPolarHBondContact O-CB 3.11Å; Q94-K97 PolarHBondContact O-N 3.42Å; Q94-A98 WeakPolarHBondContact O-CB 3.43Å; Q94-A98 PolarHBondContact O-N 3.39Å
95	A	97.1	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-40.7	179	0	0	0	0	0	111.5	F62 V68 V86 T91 E92 A98 G99 F100 P102	F62-A95 HydrophobicContact CD2-CB 4.42Å; V68-A95 HydrophobicContact CG2-CB 4.28Å; V86-A95 HydrophobicContact CG1-CB 3.85Å; T91-A95 WeakPolarHBondContact O-CB 3.49Å; T91-A95 PolarHBondContact O-N 3.44Å; E92-A95 PolarHBondContact O-N 3.04Å; A95-A98 CarbonylContact O-C 3.56Å; A95-A98 PolarHBondContact O-N 3.36Å; A95-G99 PolarHBondContact O-N 3.3Å; A95-F100 HydrophobicContact CB-CB 4.3Å; A95-F100 WeakPolarHBondContact O-CB 3.42Å; A95-F100 PolarHBondContact O-N 3.14Å; A95-P102 HydrophobicContact CB-CB 4.04Å; A95-P102 HydrophobicContact CB-CG 3.97Å
96	K	97.1	Very high	95	Very high	106 Å²	106	50.2 Å²	50.2	46%	0.461	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-46.5	172.5	-74.8	173.7	178.7	165.3	0	111.8	E92 Q94 A98 G99 P102	E92-K96 HydrophobicContact CG-CD 4.28Å; E92-K96 WeakPolarHBondContact O-CB 3.34Å; E92-K96 WeakPolarHBondContact O-CG 3.5Å; E92-K96 PolarHBondContact O-N 3.42Å; E92-K96 WeakPolarHBondContact OE1-CE 3.23Å; E92-K96 IonicContact OE1-NZ 2.75Å; E92-K96 PolarHBondContact OE1-NZ 2.94Å; E92-K96 IonicContact OE2-NZ 3.7Å; E92-K96 PolarHBondContact OE2-NZ 3.26Å; Q94-K96 VanDerWaalsContact C-N 3.33Å; Q94-K96 PolarHBondContact O-N 2.81Å; K96-A98 PolarHBondContact O-N 3.01Å; K96-G99 PolarHBondContact O-N 2.79Å; K96-P102 HydrophobicContact CG-CG 3.81Å
97	K	96.2	Very high	94.3	Very high	138 Å²	138	51.1 Å²	51.1	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-60.1	-32.2	174.9	-72.9	176.2	179.9	-177.4	0	112.8	L93 Q94 G99	L93-K97 WeakPolarHBondContact O-CG 3.43Å; L93-K97 PolarHBondContact O-N 3.12Å; L93-K97 VanDerWaalsContact O-N 3.14Å; Q94-K97 WeakPolarHBondContact O-CB 3.11Å; Q94-K97 PolarHBondContact O-N 3.42Å; K97-G99 VanDerWaalsContact C-N 3.26Å; K97-G99 PolarHBondContact O-N 3.04Å
98	A	96.6	Very high	93.6	Very high	10 Å²	10	52.8 Å²	52.8	8%	0.083	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1	177.2	0	0	0	0	0	114	V68 V72 G78 Q94 A95 K96 F100	V68-A98 HydrophobicContact CG1-CB 3.63Å; V72-A98 HydrophobicContact CG2-CB 3.47Å; V72-A98 VanDerWaalsContact CG2-CB 3.47Å; G78-A98 PolarHBondContact N-O 2.84Å; Q94-A98 WeakPolarHBondContact O-CB 3.43Å; Q94-A98 PolarHBondContact O-N 3.39Å; A95-A98 CarbonylContact O-C 3.56Å; A95-A98 PolarHBondContact O-N 3.36Å; K96-A98 PolarHBondContact O-N 3.01Å; A98-F100 HydrophobicContact CB-CD2 3.97Å; A98-F100 HydrophobicContact CB-CE2 4.15Å
99	G	97.4	Very high	93.4	Very high	37 Å²	37	54.2 Å²	54.2	38%	0.381	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	7.2	177.5	0	0	0	0	0	115.4	G78 N79 A95 K96 K97	G78-G99 CarbonylContact C-O 3.59Å; N79-G99 CarbonylContact C-O 3.47Å; N79-G99 PolarHBondContact N-O 2.91Å; A95-G99 PolarHBondContact O-N 3.3Å; K96-G99 PolarHBondContact O-N 2.79Å; K97-G99 VanDerWaalsContact C-N 3.26Å; K97-G99 PolarHBondContact O-N 3.04Å
100	F	97.7	Very high	93.3	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	28%	0.281	C	S	.	.			trans	-86.6	158.3	174.4	-63.6	-81.4	0	0	0	111.9	W53 I60 F62 G78 D82 C84 A95 A98 P102	W53-F100 HydrophobicContact CZ2-CE1 4.09Å; I60-F100 HydrophobicContact CD1-CZ 4.26Å; I60-F100 HydrophobicContact CG2-CD1 4.15Å; I60-F100 HydrophobicContact CG2-CE1 3.75Å; I60-F100 HydrophobicContact CG2-CZ 4.36Å; F62-F100 AromaticContact CE2-CD2 3.99Å; F62-F100 HydrophobicContact CE2-CD2 3.99Å; F62-F100 AromaticContact CE2-CE2 3.73Å; F62-F100 HydrophobicContact CE2-CE2 3.73Å; F62-F100 HydrophobicContact CE2-CZ 4.06Å; F62-F100 AromaticContact CZ-CE2 3.97Å; F62-F100 HydrophobicContact CZ-CE2 3.97Å; F62-F100 HydrophobicContact CZ-CZ 4.2Å; G78-F100 VanDerWaalsContact CA-CZ 3.45Å; D82-F100 HydrophobicContact CB-CD1 3.91Å; D82-F100 HydrophobicContact CB-CE1 4.14Å; D82-F100 WeakPolarHBondContact OD2-CE1 3.37Å; C84-F100 HydrophobicContact CB-CB 3.9Å; C84-F100 HydrophobicContact CB-CD1 3.8Å; C84-F100 HydrophobicContact CB-CG 4.12Å; A95-F100 HydrophobicContact CB-CB 4.3Å; A95-F100 WeakPolarHBondContact O-CB 3.42Å; A95-F100 PolarHBondContact O-N 3.14Å; A98-F100 HydrophobicContact CB-CD2 3.97Å; A98-F100 HydrophobicContact CB-CE2 4.15Å; F100-P102 WeakPolarHBondContact O-CD 3.14Å
101	L	96.6	Very high	93.5	Very high	100 Å²	100	52.9 Å²	52.9	52%	0.524	29%	0.287	S	S	.	.			trans	-107.5	72.6	167	-62.2	-178.5	0	0	0	110.3	E80	E80-L101 HydrophobicContact CB-CD1 4.3Å
102	P	97.1	Very high	93.5	Very high	11 Å²	11	58.8 Å²	58.8	7%	0.071	31%	0.312	C	S	.	.			trans	-64.1	149.6	-170.7	29.7	-39.4	0	0	0	113	C84 V86 E92 A95 K96 F100	C84-P102 CarbonylContact O-C 3.46Å; C84-P102 WeakPolarHBondContact O-CA 3.47Å; V86-P102 HydrophobicContact CB-CB 4.22Å; V86-P102 HydrophobicContact CG1-CB 3.4Å; V86-P102 VanDerWaalsContact CG1-CB 3.4Å; V86-P102 HydrophobicContact CG1-CG 4.41Å; V86-P102 HydrophobicContact CG2-CB 3.76Å; E92-P102 HydrophobicContact CB-CG 4.42Å; E92-P102 HydrophobicContact CG-CB 4.18Å; E92-P102 HydrophobicContact CG-CG 3.46Å; E92-P102 VanDerWaalsContact CG-CG 3.46Å; A95-P102 HydrophobicContact CB-CB 4.04Å; A95-P102 HydrophobicContact CB-CG 3.97Å; K96-P102 HydrophobicContact CG-CG 3.81Å; F100-P102 WeakPolarHBondContact O-CD 3.14Å
103	K	96.9	Very high	93.5	Very high	90 Å²	90	56.3 Å²	56.3	39%	0.391	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-124.4	156.2	175.1	-56.7	-178.1	-171	-61.2	0	110.9	C84 F85 V86 F116 F121	C84-K103 PolarHBondContact O-N 3.44Å; F85-K103 CarbonylContact C-O 3.57Å; F85-K103 VanDerWaalsContact CA-O 3.27Å; F85-K103 WeakPolarHBondContact CA-O 3.21Å; F85-K103 HydrophobicContact CD1-CB 3.91Å; F85-K103 HydrophobicContact CE1-CB 4.13Å; V86-K103 PolarHBondContact N-O 3.37Å; K103-F116 HydrophobicContact CB-CE1 4.22Å; K103-F121 HydrophobicContact CD-CE1 4.1Å; K103-F121 HydrophobicContact CD-CE2 4.46Å; K103-F121 HydrophobicContact CD-CZ 3.66Å
104	G	94.5	Very high	93.6	Very high	17 Å²	17	52.4 Å²	52.4	18%	0.175	28%	0.28	C	S	.	.			trans	86	6.2	171.9	0	0	0	0	0	116	V86 E106 S107	V86-G104 CarbonylContact O-C 3.58Å; V86-G104 VanDerWaalsContact O-C 3.3Å; G104-E106 PolarHBondContact O-N 2.8Å; G104-E106 VanDerWaalsContact O-N 3.09Å; G104-S107 VanDerWaalsContact O-CB 3.28Å; G104-S107 WeakPolarHBondContact O-CB 3.44Å; G104-S107 PolarHBondContact O-N 3.04Å; G104-S107 PolarHBondContact O-OG 3.02Å; G104-S107 VanDerWaalsContact O-OG 3.1Å
105	A	92.6	Very high	93.6	Very high	8 Å²	8	54.6 Å²	54.6	7%	0.066	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-52.8	-35	178.9	0	0	0	0	0	113.6	V86 G88 E92 S107	V86-A105 HydrophobicContact CG2-CB 3.72Å; V86-A105 PolarHBondContact O-N 2.89Å; G88-A105 WeakPolarHBondContact CA-O 3.46Å; G88-A105 PolarHBondContact N-O 3.33Å; E92-A105 HydrophobicContact CB-CB 3.78Å; E92-A105 HydrophobicContact CG-CB 3.9Å; A105-S107 PolarHBondContact O-N 3.47Å
106	E	89.8	Confident	93.5	Very high	185 Å²	185	57.7 Å²	57.7	86%	0.864	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-69.2	-12.4	178.5	-58.8	-68.7	177.5	0	0	114.1	G104 G108	G104-E106 PolarHBondContact O-N 2.8Å; G104-E106 VanDerWaalsContact O-N 3.09Å; E106-G108 PolarHBondContact O-N 3.17Å
107	S	82.9	Confident	93.5	Very high	18 Å²	18	52.6 Å²	52.6	13%	0.126	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-63.3	-28.4	179	77.7	0	0	0	0	111.7	G104 A105 D109 K112 L113	G104-S107 VanDerWaalsContact O-CB 3.28Å; G104-S107 WeakPolarHBondContact O-CB 3.44Å; G104-S107 PolarHBondContact O-N 3.04Å; G104-S107 PolarHBondContact O-OG 3.02Å; G104-S107 VanDerWaalsContact O-OG 3.1Å; A105-S107 PolarHBondContact O-N 3.47Å; S107-D109 PolarHBondContact O-N 3.09Å; S107-D109 PolarHBondContact OG-O 3.27Å; S107-D109 VanDerWaalsContact OG-O 3.06Å; S107-K112 WeakPolarHBondContact O-CD 3.45Å; S107-L113 WeakPolarHBondContact OG-CB 3.41Å
108	G	78.9	Confident	93.6	Very high	58 Å²	58	47.6 Å²	47.6	60%	0.598	27%	0.269	S	S	*	.			trans	69	-23.5	177.1	0	0	0	0	0	115.6	E106	E106-G108 PolarHBondContact O-N 3.17Å
109	D	88.4	Confident	93.5	Very high	42 Å²	42	55.1 Å²	55.1	23%	0.225	30%	0.3	C	S	.	.	S	Bend	trans	-141.7	165.3	177.7	69.1	73.4	0	0	0	112.7	S107 E111 K112 L113	S107-D109 PolarHBondContact O-N 3.09Å; S107-D109 PolarHBondContact OG-O 3.27Å; S107-D109 VanDerWaalsContact OG-O 3.06Å; D109-E111 PolarHBondContact OD1-N 2.68Å; D109-E111 VanDerWaalsContact OD1-N 3.08Å; D109-K112 PolarHBondContact OD1-N 3.38Å; D109-K112 VanDerWaalsContact OD2-CD 3.26Å; D109-K112 WeakPolarHBondContact OD2-CD 3.37Å; D109-K112 VanDerWaalsContact OD2-CE 3.24Å; D109-K112 WeakPolarHBondContact OD2-CE 3.37Å; D109-K112 WeakPolarHBondContact OD2-CG 3.48Å; D109-K112 IonicContact OD2-NZ 3.66Å; D109-K112 PolarHBondContact OD2-NZ 3.04Å; D109-L113 PolarHBondContact O-N 3.33Å; D109-L113 VanDerWaalsContact O-N 3.11Å
110	A	89.9	Confident	93.4	Very high	12 Å²	12	58.4 Å²	58.4	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-37.3	-174.7	0	0	0	0	0	113.4	A114 T140 L141	A110-A114 PolarHBondContact O-N 2.7Å; A110-T140 HydrophobicContact CB-CG2 4.39Å; A110-L141 HydrophobicContact CB-CB 3.97Å; A110-L141 WeakPolarHBondContact O-CD1 3.49Å
111	E	93.2	Very high	93.4	Very high	118 Å²	118	59.4 Å²	59.4	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-70.3	-48.7	-178.5	-67.1	177.4	-174.9	0	0	110.1	D109 L113 A114 S115 T140	D109-E111 PolarHBondContact OD1-N 2.68Å; D109-E111 VanDerWaalsContact OD1-N 3.08Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 3.01Å; E111-A114 WeakPolarHBondContact O-CB 3.36Å; E111-A114 PolarHBondContact O-N 3.3Å; E111-A114 VanDerWaalsContact O-N 3.14Å; E111-S115 PolarHBondContact O-N 2.8Å; E111-S115 PolarHBondContact O-OG 2.9Å; E111-T140 HydrophobicContact CG-CG2 3.21Å; E111-T140 WeakPolarHBondContact OE1-CG2 3.31Å
112	K	94.5	Very high	93.3	Very high	126 Å²	126	56.1 Å²	56.1	55%	0.548	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-35.2	177	-69.2	-174.8	-163.5	125.8	0	112.1	S107 D109 F116	S107-K112 WeakPolarHBondContact O-CD 3.45Å; D109-K112 PolarHBondContact OD1-N 3.38Å; D109-K112 VanDerWaalsContact OD2-CD 3.26Å; D109-K112 WeakPolarHBondContact OD2-CD 3.37Å; D109-K112 VanDerWaalsContact OD2-CE 3.24Å; D109-K112 WeakPolarHBondContact OD2-CE 3.37Å; D109-K112 WeakPolarHBondContact OD2-CG 3.48Å; D109-K112 IonicContact OD2-NZ 3.66Å; D109-K112 PolarHBondContact OD2-NZ 3.04Å; K112-F116 VanDerWaalsContact O-CB 3.3Å; K112-F116 WeakPolarHBondContact O-CB 3.43Å; K112-F116 PolarHBondContact O-N 3.39Å
113	L	96.3	Very high	93.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-47.3	174.2	-174	60.7	0	0	0	111	I61 F85 V87 S107 D109 E111 S115 F116 I117 L141	I61-L113 HydrophobicContact CG2-CD2 3.92Å; F85-L113 HydrophobicContact CB-CD1 4.29Å; F85-L113 HydrophobicContact CB-CD2 4.4Å; V87-L113 HydrophobicContact CG2-CB 4.38Å; V87-L113 HydrophobicContact CG2-CD2 3.43Å; V87-L113 VanDerWaalsContact CG2-CD2 3.43Å; S107-L113 WeakPolarHBondContact OG-CB 3.41Å; D109-L113 PolarHBondContact O-N 3.33Å; D109-L113 VanDerWaalsContact O-N 3.11Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 3.01Å; L113-S115 PolarHBondContact O-N 3.44Å; L113-F116 HydrophobicContact CD1-CD1 4.32Å; L113-F116 WeakPolarHBondContact O-CB 3.44Å; L113-F116 PolarHBondContact O-N 3.16Å; L113-I117 HydrophobicContact CD1-CD1 4.27Å; L113-I117 HydrophobicContact CD1-CG1 4.39Å; L113-I117 HydrophobicContact CD2-CD1 4.48Å; L113-I117 HydrophobicContact CG-CD1 3.9Å; L113-I117 HydrophobicContact CG-CG1 4.44Å; L113-I117 VanDerWaalsContact O-CG1 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.33Å; L113-L141 HydrophobicContact CB-CD1 4.04Å; L113-L141 HydrophobicContact CD2-CD1 4.04Å; L113-L141 HydrophobicContact CG-CD1 4.12Å
114	A	96.3	Very high	93.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.6	-49.2	176.9	0	0	0	0	0	111	A110 E111 F116 I117 L118 L141 V144 L145	A110-A114 PolarHBondContact O-N 2.7Å; E111-A114 WeakPolarHBondContact O-CB 3.36Å; E111-A114 PolarHBondContact O-N 3.3Å; E111-A114 VanDerWaalsContact O-N 3.14Å; A114-F116 VanDerWaalsContact C-N 3.32Å; A114-F116 PolarHBondContact O-N 3.26Å; A114-I117 PolarHBondContact O-N 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.47Å; A114-L118 WeakPolarHBondContact O-CD1 3.39Å; A114-L118 VanDerWaalsContact O-CG 3.28Å; A114-L118 WeakPolarHBondContact O-CG 3.36Å; A114-L118 PolarHBondContact O-N 3.12Å; A114-L141 HydrophobicContact CB-CD1 4.03Å; A114-V144 HydrophobicContact CB-CB 3.71Å; A114-V144 HydrophobicContact CB-CG1 3.45Å; A114-V144 VanDerWaalsContact CB-CG1 3.45Å; A114-L145 HydrophobicContact CB-CD2 4.24Å; A114-L145 HydrophobicContact CB-CG 4.17Å
115	S	95.2	Very high	93.2	Very high	69 Å²	69	62.4 Å²	62.4	48%	0.483	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-40.1	177.3	-56.7	0	0	0	0	112.6	E111 L113 K119	E111-S115 PolarHBondContact O-N 2.8Å; E111-S115 PolarHBondContact O-OG 2.9Å; L113-S115 PolarHBondContact O-N 3.44Å; S115-K119 WeakPolarHBondContact O-CB 3.38Å; S115-K119 PolarHBondContact O-N 3.49Å
116	F	96	Very high	93.4	Very high	64 Å²	64	68.2 Å²	68.2	28%	0.281	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-46	175.3	170.2	-99.4	0	0	0	112	F85 K103 K112 L113 A114 K119 H120 F121	F85-F116 HydrophobicContact CD1-CD1 4.49Å; F85-F116 HydrophobicContact CD1-CE1 4.18Å; F85-F116 HydrophobicContact CE1-CE1 4.03Å; K103-F116 HydrophobicContact CB-CE1 4.22Å; K112-F116 VanDerWaalsContact O-CB 3.3Å; K112-F116 WeakPolarHBondContact O-CB 3.43Å; K112-F116 PolarHBondContact O-N 3.39Å; L113-F116 HydrophobicContact CD1-CD1 4.32Å; L113-F116 WeakPolarHBondContact O-CB 3.44Å; L113-F116 PolarHBondContact O-N 3.16Å; A114-F116 VanDerWaalsContact C-N 3.32Å; A114-F116 PolarHBondContact O-N 3.26Å; F116-K119 PolarHBondContact O-N 3.22Å; F116-H120 AromaticContact CD2-CD2 3.52Å; F116-H120 AromaticContact CE2-CD2 3.7Å; F116-H120 PolarHBondContact O-CD2 3.31Å; F116-H120 PolarHBondContact O-N 3.36Å; F116-H120 VanDerWaalsContact O-N 3.11Å; F116-F121 HydrophobicContact CE1-CD2 4.29Å; F116-F121 AromaticContact CE1-CE2 3.7Å; F116-F121 HydrophobicContact CE1-CE2 3.7Å; F116-F121 AromaticContact CZ-CE2 3.7Å; F116-F121 HydrophobicContact CZ-CE2 3.7Å; F116-F121 HydrophobicContact CZ-CZ 4.49Å
117	I	97.2	Very high	93.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-48.9	178.2	-69	169.7	0	0	0	110.3	I61 F85 L113 A114 K119 H120 F121 A122 L125 L145	I61-I117 HydrophobicContact CD1-CD1 3.54Å; I61-I117 HydrophobicContact CG1-CD1 4.28Å; F85-I117 HydrophobicContact CB-CD1 3.89Å; F85-I117 HydrophobicContact CB-CG1 4.39Å; F85-I117 HydrophobicContact CD1-CD1 4.15Å; F85-I117 HydrophobicContact CD1-CG1 3.71Å; F85-I117 HydrophobicContact CD2-CD1 3.73Å; F85-I117 HydrophobicContact CD2-CG1 3.91Å; F85-I117 HydrophobicContact CE1-CG1 3.86Å; F85-I117 HydrophobicContact CE2-CD1 4.26Å; F85-I117 HydrophobicContact CE2-CG1 4.03Å; F85-I117 HydrophobicContact CE2-CG2 4.23Å; F85-I117 HydrophobicContact CG-CD1 3.65Å; F85-I117 HydrophobicContact CG-CG1 3.74Å; F85-I117 HydrophobicContact CZ-CG1 4.01Å; F85-I117 HydrophobicContact CZ-CG2 4.38Å; L113-I117 HydrophobicContact CD1-CD1 4.27Å; L113-I117 HydrophobicContact CD1-CG1 4.39Å; L113-I117 HydrophobicContact CD2-CD1 4.48Å; L113-I117 HydrophobicContact CG-CD1 3.9Å; L113-I117 HydrophobicContact CG-CG1 4.44Å; L113-I117 VanDerWaalsContact O-CG1 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.33Å; A114-I117 PolarHBondContact O-N 3.3Å; I117-K119 PolarHBondContact O-N 3.17Å; I117-H120 PolarHBondContact O-N 3.47Å; I117-F121 CarbonylContact O-C 3.46Å; I117-F121 WeakPolarHBondContact O-CA 3.28Å; I117-F121 WeakPolarHBondContact O-CB 3.49Å; I117-F121 PolarHBondContact O-N 3.23Å; I117-A122 PolarHBondContact O-N 3.28Å; I117-L125 HydrophobicContact CG2-CD1 3.52Å; I117-L145 HydrophobicContact CB-CD2 4.4Å; I117-L145 HydrophobicContact CG2-CD2 4.13Å
118	L	96.8	Very high	94.5	Very high	33 Å²	33	64.3 Å²	64.3	17%	0.173	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-44.4	-179.2	-69.1	162	0	0	0	111.5	A114 H120 A122 V144 L145 E148 K150	A114-L118 WeakPolarHBondContact O-CB 3.47Å; A114-L118 WeakPolarHBondContact O-CD1 3.39Å; A114-L118 VanDerWaalsContact O-CG 3.28Å; A114-L118 WeakPolarHBondContact O-CG 3.36Å; A114-L118 PolarHBondContact O-N 3.12Å; L118-H120 PolarHBondContact O-N 2.8Å; L118-A122 WeakPolarHBondContact O-CB 3.35Å; L118-V144 HydrophobicContact CD1-CG1 4.16Å; L118-L145 HydrophobicContact CD1-CD2 4.36Å; L118-L145 HydrophobicContact CD2-CD2 4.15Å; L118-L145 HydrophobicContact CG-CD2 3.99Å; L118-E148 HydrophobicContact CD1-CB 4.15Å; L118-E148 HydrophobicContact CD1-CG 3.67Å; L118-E148 HydrophobicContact CD2-CB 3.54Å; L118-E148 HydrophobicContact CD2-CG 3.98Å; L118-E148 HydrophobicContact CG-CB 4.47Å; L118-E148 HydrophobicContact CG-CG 4.42Å; L118-K150 HydrophobicContact CD2-CG 4Å
119	K	95.7	Very high	95.4	Very high	167 Å²	167	61.6 Å²	61.6	73%	0.726	32%	0.316	S	S	*	.	H	α-helix	trans	-65.6	-38	-178.5	-176.1	175.8	178.7	-178.6	0	113.6	S115 F116 I117	S115-K119 WeakPolarHBondContact O-CB 3.38Å; S115-K119 PolarHBondContact O-N 3.49Å; F116-K119 PolarHBondContact O-N 3.22Å; I117-K119 PolarHBondContact O-N 3.17Å
120	H	95.9	Very high	95.9	Very high	106 Å²	106	59.6 Å²	59.6	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-111.8	-18.9	-168.5	-65.4	-71.5	0	0	0	114.6	F116 I117 L118	F116-H120 AromaticContact CD2-CD2 3.52Å; F116-H120 AromaticContact CE2-CD2 3.7Å; F116-H120 PolarHBondContact O-CD2 3.31Å; F116-H120 PolarHBondContact O-N 3.36Å; F116-H120 VanDerWaalsContact O-N 3.11Å; I117-H120 PolarHBondContact O-N 3.47Å; L118-H120 PolarHBondContact O-N 2.8Å
121	F	96.9	Very high	96.2	Very high	24 Å²	24	59.2 Å²	59.2	11%	0.105	30%	0.301	C	S	.	.	H	α-helix	trans	-132.7	-0.5	-169.6	-60.4	-90	0	0	0	113.8	L83 F85 K103 F116 I117 S123 K124 L125	L83-F121 HydrophobicContact CD1-CD1 3.78Å; L83-F121 HydrophobicContact CD1-CE1 3.86Å; L83-F121 HydrophobicContact CD2-CB 4.47Å; L83-F121 HydrophobicContact CD2-CD1 4.09Å; F85-F121 HydrophobicContact CE1-CD1 4.43Å; F85-F121 AromaticContact CE1-CD2 3.68Å; F85-F121 HydrophobicContact CE1-CD2 3.68Å; F85-F121 AromaticContact CE1-CE2 3.84Å; F85-F121 HydrophobicContact CE1-CE2 3.84Å; F85-F121 HydrophobicContact CE1-CG 4.03Å; F85-F121 HydrophobicContact CE1-CZ 4.31Å; F85-F121 HydrophobicContact CZ-CB 3.92Å; F85-F121 AromaticContact CZ-CD1 3.99Å; F85-F121 HydrophobicContact CZ-CD1 3.99Å; F85-F121 AromaticContact CZ-CD2 3.73Å; F85-F121 HydrophobicContact CZ-CD2 3.73Å; F85-F121 HydrophobicContact CZ-CE1 4.5Å; F85-F121 HydrophobicContact CZ-CE2 4.28Å; F85-F121 AromaticContact CZ-CG 3.6Å; F85-F121 HydrophobicContact CZ-CG 3.6Å; K103-F121 HydrophobicContact CD-CE1 4.1Å; K103-F121 HydrophobicContact CD-CE2 4.46Å; K103-F121 HydrophobicContact CD-CZ 3.66Å; F116-F121 HydrophobicContact CE1-CD2 4.29Å; F116-F121 AromaticContact CE1-CE2 3.7Å; F116-F121 HydrophobicContact CE1-CE2 3.7Å; F116-F121 AromaticContact CZ-CE2 3.7Å; F116-F121 HydrophobicContact CZ-CE2 3.7Å; F116-F121 HydrophobicContact CZ-CZ 4.49Å; I117-F121 CarbonylContact O-C 3.46Å; I117-F121 WeakPolarHBondContact O-CA 3.28Å; I117-F121 WeakPolarHBondContact O-CB 3.49Å; I117-F121 PolarHBondContact O-N 3.23Å; F121-S123 PolarHBondContact O-N 3.19Å; F121-S123 VanDerWaalsContact O-N 3.07Å; F121-K124 HydrophobicContact CD1-CD 4.16Å; F121-K124 WeakPolarHBondContact O-CA 3.48Å; F121-K124 WeakPolarHBondContact O-CB 3.41Å; F121-K124 PolarHBondContact O-N 3.15Å; F121-L125 WeakPolarHBondContact O-CG 3.34Å
122	A	95.3	Very high	96.4	Very high	30 Å²	30	53.6 Å²	53.6	25%	0.248	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-53.3	-34.8	-177.4	0	0	0	0	0	114.2	I117 L118 K124 L125 K150	I117-A122 PolarHBondContact O-N 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.35Å; A122-K124 PolarHBondContact O-N 2.81Å; A122-L125 PolarHBondContact O-N 2.97Å; A122-K150 WeakPolarHBondContact O-CE 3.4Å; A122-K150 PolarHBondContact O-NZ 3.3Å
123	S	95.2	Very high	96.5	Very high	116 Å²	116	47.6 Å²	47.6	81%	0.811	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-69.7	-18.9	176.9	57.1	0	0	0	0	114.1	F121	F121-S123 PolarHBondContact O-N 3.19Å; F121-S123 VanDerWaalsContact O-N 3.07Å
124	K	95.1	Very high	96.3	Very high	126 Å²	126	47.7 Å²	47.7	55%	0.548	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-91.4	-2.6	176	-61.6	-173.2	177.6	-177.4	0	113.2	S58 L83 F121 A122	S58-K124 VanDerWaalsContact CB-O 3.32Å; S58-K124 WeakPolarHBondContact CB-O 3.47Å; L83-K124 HydrophobicContact CD2-CB 4.24Å; F121-K124 HydrophobicContact CD1-CD 4.16Å; F121-K124 WeakPolarHBondContact O-CA 3.48Å; F121-K124 WeakPolarHBondContact O-CB 3.41Å; F121-K124 PolarHBondContact O-N 3.15Å; A122-K124 PolarHBondContact O-N 2.81Å
125	L	95.9	Very high	96.1	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.042	28%	0.277	C	S	.	.			trans	-106	75.4	-176.8	-55.5	-179.3	0	0	0	109.9	C59 L83 I117 F121 A122 I129 K150	C59-L125 HydrophobicContact CB-CD2 3.98Å; C59-L125 VanDerWaalsContact SG-CD2 3.53Å; L83-L125 HydrophobicContact CD2-CD2 4.16Å; I117-L125 HydrophobicContact CG2-CD1 3.52Å; F121-L125 WeakPolarHBondContact O-CG 3.34Å; A122-L125 PolarHBondContact O-N 2.97Å; L125-I129 HydrophobicContact CD1-CD1 4Å; L125-I129 HydrophobicContact CD1-CG1 4.47Å; L125-K150 HydrophobicContact CB-CD 4.07Å; L125-K150 PolarHBondContact O-NZ 3.38Å
126	D	95.5	Very high	95.5	Very high	130 Å²	130	56 Å²	56	70%	0.695	29%	0.289	S	S	*	.			trans	-93.9	-17.3	179.2	65.3	-31.8	0	0	0	113.6	S58	S58-D126 PolarHBondContact OG-N 3.32Å; S58-D126 PolarHBondContact OG-OD1 3.48Å
127	K	97.8	Very high	94.8	Very high	87 Å²	87	55.8 Å²	55.8	38%	0.378	29%	0.289	S	S	.	.	S	Bend	trans	-119.7	167.7	176.6	-57.6	176.1	-172.2	177.6	0	109.8	N55 S58	N55-K127 PolarHBondContact O-NZ 3.45Å; S58-K127 WeakPolarHBondContact OG-CA 3.44Å; S58-K127 WeakPolarHBondContact OG-CB 3.43Å; S58-K127 PolarHBondContact OG-N 3.45Å; S58-K127 PolarHBondContact OG-O 3.42Å
128	P	98.1	Very high	94.1	Very high	35 Å²	35	64.5 Å²	64.5	23%	0.227	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-52.8	149.7	174.5	-28.4	36.2	0	0	0	113.5	N56 H57 S58 K151 N153	N56-P128 WeakPolarHBondContact O-CD 3.32Å; H57-P128 WeakPolarHBondContact CA-O 3.45Å; H57-P128 WeakPolarHBondContact CB-O 3.31Å; H57-P128 PolarHBondContact CD2-O 3Å; S58-P128 PolarHBondContact N-O 3.46Å; P128-K151 CarbonylContact C-O 3.59Å; P128-K151 VanDerWaalsContact CA-O 3.29Å; P128-K151 WeakPolarHBondContact CA-O 3.37Å; P128-K151 HydrophobicContact CB-CB 4.42Å; P128-K151 HydrophobicContact CB-CD 4.49Å; P128-K151 HydrophobicContact CB-CG 4.16Å; P128-K151 HydrophobicContact CG-CB 4.41Å; P128-K151 HydrophobicContact CG-CD 3.95Å; P128-K151 HydrophobicContact CG-CG 4.13Å; P128-N153 HydrophobicContact CB-CB 4.4Å
129	I	98.4	Very high	93.6	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.2	174.1	-63.4	173.5	0	0	0	108.3	I61 L125 F131 L145 K150 K151 V152 N153	I61-I129 HydrophobicContact CD1-CG2 3.5Å; I61-I129 HydrophobicContact CG1-CG2 3.67Å; L125-I129 HydrophobicContact CD1-CD1 4Å; L125-I129 HydrophobicContact CD1-CG1 4.47Å; I129-F131 PolarHBondContact O-N 3.34Å; I129-L145 HydrophobicContact CD1-CB 4.43Å; I129-L145 HydrophobicContact CD1-CD1 3.83Å; I129-L145 HydrophobicContact CD1-CD2 4.26Å; I129-L145 HydrophobicContact CD1-CG 4.4Å; I129-K150 HydrophobicContact CD1-CB 4.02Å; I129-K151 PolarHBondContact N-O 3.12Å; I129-V152 HydrophobicContact CB-CG2 4.33Å; I129-V152 HydrophobicContact CD1-CG2 4.27Å; I129-N153 PolarHBondContact O-N 3.23Å
130	F	98.3	Very high	93.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.3	175	-177.4	-151.3	0	0	0	110	L47 Y50 W53 H57 C59 I60 I61 L76 P132 I155	L47-F130 HydrophobicContact CD2-CZ 4.07Å; Y50-F130 HydrophobicContact CD1-CD2 4.39Å; Y50-F130 HydrophobicContact CD1-CE2 4.04Å; Y50-F130 HydrophobicContact CD1-CZ 4.37Å; Y50-F130 HydrophobicContact CG-CE2 4.03Å; Y50-F130 HydrophobicContact CG-CZ 4.05Å; W53-F130 HydrophobicContact CB-CD1 3.86Å; W53-F130 HydrophobicContact CB-CE1 4.09Å; W53-F130 HydrophobicContact CB-CG 4.47Å; W53-F130 AromaticContact CD2-CD1 3.75Å; W53-F130 HydrophobicContact CD2-CD1 3.75Å; W53-F130 HydrophobicContact CD2-CE1 4.34Å; W53-F130 HydrophobicContact CE3-CB 4.13Å; W53-F130 AromaticContact CE3-CD1 3.89Å; W53-F130 HydrophobicContact CE3-CD1 3.89Å; W53-F130 HydrophobicContact CE3-CG 4.47Å; W53-F130 AromaticContact CG-CD1 3.74Å; W53-F130 HydrophobicContact CG-CD1 3.74Å; W53-F130 AromaticContact CG-CE1 3.96Å; W53-F130 HydrophobicContact CG-CE1 3.96Å; H57-F130 HydrophobicContact CB-CB 4.01Å; C59-F130 WeakPolarHBondContact O-CB 3.08Å; C59-F130 PolarHBondContact O-N 3.39Å; I60-F130 CarbonylContact C-O 3.6Å; I60-F130 VanDerWaalsContact CA-O 3.3Å; I60-F130 WeakPolarHBondContact CA-O 3.47Å; I60-F130 HydrophobicContact CB-CB 4.46Å; I60-F130 HydrophobicContact CB-CD1 4.34Å; I60-F130 HydrophobicContact CD1-CD1 3.56Å; I60-F130 HydrophobicContact CD1-CE1 3.77Å; I60-F130 HydrophobicContact CG1-CB 4.42Å; I60-F130 HydrophobicContact CG1-CD1 3.81Å; I60-F130 HydrophobicContact CG1-CE1 4.44Å; I60-F130 HydrophobicContact CG1-CG 4.34Å; I61-F130 PolarHBondContact N-O 3.28Å; L76-F130 HydrophobicContact CD1-CE1 4.13Å; L76-F130 HydrophobicContact CD1-CZ 4.18Å; F130-P132 HydrophobicContact CE1-CG 4.49Å; F130-P132 HydrophobicContact CE2-CB 4.42Å; F130-P132 HydrophobicContact CZ-CB 4.34Å; F130-P132 HydrophobicContact CZ-CG 4.33Å; F130-P132 WeakPolarHBondContact O-CD 3.32Å; F130-I155 HydrophobicContact CD2-CG1 4.27Å; F130-I155 HydrophobicContact CE2-CB 4.1Å; F130-I155 HydrophobicContact CE2-CG1 3.77Å
131	F	97.5	Very high	93.4	Very high	3 Å²	3	55 Å²	55	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	81.9	-176.5	-173.4	-133	0	0	0	112.1	I61 I129 C133 L141 P142 V152 N153 I154 I155	I61-F131 HydrophobicContact CB-CD2 3.92Å; I61-F131 HydrophobicContact CB-CE2 4.43Å; I61-F131 HydrophobicContact CG2-CD2 4.3Å; I61-F131 HydrophobicContact CG2-CE2 4.3Å; I61-F131 WeakPolarHBondContact O-CD2 3.4Å; I129-F131 PolarHBondContact O-N 3.34Å; F131-C133 HydrophobicContact CD1-CB 4.38Å; F131-C133 HydrophobicContact CE1-CB 3.99Å; F131-C133 HydrophobicContact CE2-CB 4.45Å; F131-C133 HydrophobicContact CZ-CB 4.03Å; F131-C133 PolarHBondContact O-N 3.22Å; F131-L141 HydrophobicContact CD2-CD2 4.09Å; F131-L141 HydrophobicContact CE1-CD2 4.37Å; F131-L141 HydrophobicContact CE2-CD2 3.55Å; F131-L141 HydrophobicContact CZ-CD2 3.7Å; F131-P142 HydrophobicContact CD1-CG 3.69Å; F131-P142 HydrophobicContact CE1-CG 3.51Å; F131-V152 HydrophobicContact CB-CG1 3.64Å; F131-V152 HydrophobicContact CD1-CG1 4.23Å; F131-V152 HydrophobicContact CG-CG1 4.26Å; F131-N153 PolarHBondContact N-O 2.95Å; F131-I154 HydrophobicContact CD1-CG1 4.15Å; F131-I154 HydrophobicContact CD1-CG2 4.21Å; F131-I154 WeakPolarHBondContact O-CA 3.48Å; F131-I155 PolarHBondContact O-N 3.09Å
132	P	97.2	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	118.2	170.3	28.4	-33.7	0	0	0	111	L47 I60 F62 S67 F130 I155 A157	L47-P132 HydrophobicContact CD2-CB 4.18Å; I60-P132 HydrophobicContact CD1-CG 4.13Å; I60-P132 HydrophobicContact CG1-CG 4.2Å; F62-P132 HydrophobicContact CD1-CG 3.76Å; F62-P132 HydrophobicContact CE1-CG 3.45Å; F62-P132 VanDerWaalsContact CE1-CG 3.45Å; F62-P132 HydrophobicContact CZ-CG 4.4Å; S67-P132 WeakPolarHBondContact CB-O 3.46Å; S67-P132 PolarHBondContact OG-O 2.68Å; F130-P132 HydrophobicContact CE1-CG 4.49Å; F130-P132 HydrophobicContact CE2-CB 4.42Å; F130-P132 HydrophobicContact CZ-CB 4.34Å; F130-P132 HydrophobicContact CZ-CG 4.33Å; F130-P132 WeakPolarHBondContact O-CD 3.32Å; P132-I155 CarbonylContact C-O 3.59Å; P132-I155 WeakPolarHBondContact CA-O 3.31Å; P132-A157 HydrophobicContact CB-CB 3.76Å
133	C	95.2	Very high	93.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	171.2	-176.9	69.4	0	0	0	0	112.8	S67 F131 H137 I154 I155 T156 A157	S67-C133 WeakPolarHBondContact OG-CA 3.36Å; F131-C133 HydrophobicContact CD1-CB 4.38Å; F131-C133 HydrophobicContact CE1-CB 3.99Å; F131-C133 HydrophobicContact CE2-CB 4.45Å; F131-C133 HydrophobicContact CZ-CB 4.03Å; F131-C133 PolarHBondContact O-N 3.22Å; C133-H137 HydrophobicContact CB-CB 4.4Å; C133-H137 VanDerWaalsContact SG-CE1 3.56Å; C133-H137 PolarHBondContact SG-ND1 2.91Å; C133-H137 VanDerWaalsContact SG-ND1 3.44Å; C133-I154 WeakPolarHBondContact SG-CG2 3.26Å; C133-I155 PolarHBondContact N-O 3.4Å; C133-T156 CarbonylContact O-C 3.51Å; C133-T156 WeakPolarHBondContact O-CA 3.4Å; C133-A157 PolarHBondContact O-N 2.66Å
134	G	93.9	Very high	93.4	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	153.3	170.8	0	0	0	0	0	111.5	V136 H137 Y158	G134-V136 PolarHBondContact O-N 2.89Å; G134-H137 PolarHBondContact O-ND1 3.33Å; G134-Y158 CarbonylContact C-O 3.54Å; G134-Y158 VanDerWaalsContact CA-CZ 3.5Å; G134-Y158 VanDerWaalsContact CA-O 3.28Å; G134-Y158 WeakPolarHBondContact CA-O 3.12Å
135	Q	91.4	Very high	93.5	Very high	124 Å²	124	48.3 Å²	48.3	58%	0.579	24%	0.238	S	C	*	.	S	Bend	trans	-53.5	-43.2	175.6	-177.5	178.2	-37.6	0	0	111.9	H137 T156 Y158 S159	Q135-H137 PolarHBondContact O-ND1 3.17Å; Q135-T156 HydrophobicContact CB-CG2 3.68Å; Q135-T156 HydrophobicContact CG-CG2 4.37Å; Q135-Y158 PolarHBondContact N-O 2.66Å; Q135-S159 PolarHBondContact OE1-OG 2.97Å
136	V	82.3	Confident	93.6	Very high	120 Å²	120	52.1 Å²	52.1	73%	0.727	26%	0.256	S	S	*	.	S	Bend	trans	-94.4	110.4	169.6	-177.3	0	0	0	0	108.2	G134	G134-V136 PolarHBondContact O-N 2.89Å
137	H	80.8	Confident	93.6	Very high	59 Å²	59	52.4 Å²	52.4	27%	0.273	26%	0.258	S	S	.	.			trans	-140.9	164.4	177.6	58.4	-83.1	0	0	0	110.9	C133 G134 Q135 D139	C133-H137 HydrophobicContact CB-CB 4.4Å; C133-H137 VanDerWaalsContact SG-CE1 3.56Å; C133-H137 PolarHBondContact SG-ND1 2.91Å; C133-H137 VanDerWaalsContact SG-ND1 3.44Å; G134-H137 PolarHBondContact O-ND1 3.33Å; Q135-H137 PolarHBondContact O-ND1 3.17Å; H137-D139 IonicContact CD2-OD1 2.8Å; H137-D139 IonicContact NE2-OD1 2.74Å
138	R	82.1	Confident	93.5	Very high	183 Å²	183	54.6 Å²	54.6	69%	0.691	27%	0.269	S	S	*	.			trans	-88.2	128.7	168.8	-70.7	-178.5	-74.1	154.4	-3.2	108.5	T140	R138-T140 PolarHBondContact O-N 3.09Å
139	D	87.8	Confident	93.4	Very high	66 Å²	66	56.1 Å²	56.1	35%	0.353	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	1.9	179.2	-51.1	-20.8	0	0	0	113.6	H137 L141 P142 K143	H137-D139 IonicContact CD2-OD1 2.8Å; H137-D139 IonicContact NE2-OD1 2.74Å; D139-L141 VanDerWaalsContact C-N 3.33Å; D139-L141 PolarHBondContact O-N 3.25Å; D139-P142 WeakPolarHBondContact O-CD 3.49Å; D139-K143 HydrophobicContact CB-CD 3.74Å; D139-K143 VanDerWaalsContact CB-CE 3.47Å; D139-K143 HydrophobicContact CB-CG 4.01Å; D139-K143 VanDerWaalsContact O-CB 3.31Å; D139-K143 WeakPolarHBondContact O-CB 3.42Å; D139-K143 WeakPolarHBondContact O-CG 3.32Å; D139-K143 PolarHBondContact O-N 3.38Å; D139-K143 IonicContact OD2-NZ 3.14Å; D139-K143 PolarHBondContact OD2-NZ 3.35Å
140	T	92.6	Very high	93.4	Very high	38 Å²	38	58.1 Å²	58.1	23%	0.233	30%	0.3	C	S	.	.	H	α-helix	trans	-54.1	-47.5	-173.3	-52	0	0	0	0	112.5	A110 E111 R138 V144	A110-T140 HydrophobicContact CB-CG2 4.39Å; E111-T140 HydrophobicContact CG-CG2 3.21Å; E111-T140 WeakPolarHBondContact OE1-CG2 3.31Å; R138-T140 PolarHBondContact O-N 3.09Å; T140-V144 VanDerWaalsContact O-CG2 3.25Å; T140-V144 WeakPolarHBondContact O-CG2 3.35Å; T140-V144 PolarHBondContact O-N 3.45Å; T140-V144 VanDerWaalsContact O-N 3.09Å
141	L	93.3	Very high	93.4	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-53.5	-180	176.6	91.1	0	0	0	111.7	I61 A110 L113 A114 F131 D139 K143 V144 L145	I61-L141 HydrophobicContact CB-CD2 4.34Å; I61-L141 HydrophobicContact CD1-CD2 4.11Å; I61-L141 HydrophobicContact CG2-CD2 3.65Å; A110-L141 HydrophobicContact CB-CB 3.97Å; A110-L141 WeakPolarHBondContact O-CD1 3.49Å; L113-L141 HydrophobicContact CB-CD1 4.04Å; L113-L141 HydrophobicContact CD2-CD1 4.04Å; L113-L141 HydrophobicContact CG-CD1 4.12Å; A114-L141 HydrophobicContact CB-CD1 4.03Å; F131-L141 HydrophobicContact CD2-CD2 4.09Å; F131-L141 HydrophobicContact CE1-CD2 4.37Å; F131-L141 HydrophobicContact CE2-CD2 3.55Å; F131-L141 HydrophobicContact CZ-CD2 3.7Å; D139-L141 VanDerWaalsContact C-N 3.33Å; D139-L141 PolarHBondContact O-N 3.25Å; L141-K143 PolarHBondContact O-N 2.94Å; L141-V144 PolarHBondContact O-N 2.85Å; L141-L145 HydrophobicContact CD1-CD1 4.33Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 WeakPolarHBondContact O-CG 3.26Å; L141-L145 PolarHBondContact O-N 2.94Å
142	P	94.9	Very high	93.4	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.013	33%	0.334	C	S	.	.	H	α-helix	trans	-53.3	-49.7	173.4	-28.1	32.5	0	0	0	113.8	F131 D139 V144 L145 E146 V152 I154	F131-P142 HydrophobicContact CD1-CG 3.69Å; F131-P142 HydrophobicContact CE1-CG 3.51Å; D139-P142 WeakPolarHBondContact O-CD 3.49Å; P142-V144 PolarHBondContact O-N 2.86Å; P142-L145 PolarHBondContact O-N 3.13Å; P142-L145 VanDerWaalsContact O-N 3.14Å; P142-E146 WeakPolarHBondContact O-CB 3.4Å; P142-E146 VanDerWaalsContact O-CG 3.32Å; P142-E146 WeakPolarHBondContact O-CG 3.45Å; P142-E146 PolarHBondContact O-N 2.83Å; P142-V152 HydrophobicContact CB-CB 4.44Å; P142-V152 HydrophobicContact CB-CG1 4.31Å; P142-V152 HydrophobicContact CG-CG1 4.45Å; P142-I154 HydrophobicContact CB-CD1 3.78Å; P142-I154 HydrophobicContact CB-CG1 4.49Å; P142-I154 HydrophobicContact CG-CD1 3.7Å; P142-I154 HydrophobicContact CG-CG1 4.3Å
143	K	96.4	Very high	93.4	Very high	111 Å²	111	67.6 Å²	67.6	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-44.6	-177.2	-75.9	175	179.3	162.1	0	112.5	D139 L141 L145 E146 N147	D139-K143 HydrophobicContact CB-CD 3.74Å; D139-K143 VanDerWaalsContact CB-CE 3.47Å; D139-K143 HydrophobicContact CB-CG 4.01Å; D139-K143 VanDerWaalsContact O-CB 3.31Å; D139-K143 WeakPolarHBondContact O-CB 3.42Å; D139-K143 WeakPolarHBondContact O-CG 3.32Å; D139-K143 PolarHBondContact O-N 3.38Å; D139-K143 IonicContact OD2-NZ 3.14Å; D139-K143 PolarHBondContact OD2-NZ 3.35Å; L141-K143 PolarHBondContact O-N 2.94Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-L145 PolarHBondContact O-N 3.2Å; K143-E146 PolarHBondContact O-N 2.8Å; K143-N147 WeakPolarHBondContact O-CB 3.24Å; K143-N147 PolarHBondContact O-N 3.1Å; K143-N147 PolarHBondContact O-ND2 2.72Å; K143-N147 PolarHBondContact O-OD1 2.86Å
144	V	96.8	Very high	93.5	Very high	41 Å²	41	70.5 Å²	70.5	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-39	179.1	176.2	0	0	0	0	111.3	A114 L118 T140 L141 P142	A114-V144 HydrophobicContact CB-CB 3.71Å; A114-V144 HydrophobicContact CB-CG1 3.45Å; A114-V144 VanDerWaalsContact CB-CG1 3.45Å; L118-V144 HydrophobicContact CD1-CG1 4.16Å; T140-V144 VanDerWaalsContact O-CG2 3.25Å; T140-V144 WeakPolarHBondContact O-CG2 3.35Å; T140-V144 PolarHBondContact O-N 3.45Å; T140-V144 VanDerWaalsContact O-N 3.09Å; L141-V144 PolarHBondContact O-N 2.85Å; P142-V144 PolarHBondContact O-N 2.86Å
145	L	97.3	Very high	93.6	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-69.7	-42.9	177.9	-68	167.7	0	0	0	112	I61 A114 I117 L118 I129 L141 P142 K143 E148 K150 V152	I61-L145 HydrophobicContact CD1-CD1 3.79Å; A114-L145 HydrophobicContact CB-CD2 4.24Å; A114-L145 HydrophobicContact CB-CG 4.17Å; I117-L145 HydrophobicContact CB-CD2 4.4Å; I117-L145 HydrophobicContact CG2-CD2 4.13Å; L118-L145 HydrophobicContact CD1-CD2 4.36Å; L118-L145 HydrophobicContact CD2-CD2 4.15Å; L118-L145 HydrophobicContact CG-CD2 3.99Å; I129-L145 HydrophobicContact CD1-CB 4.43Å; I129-L145 HydrophobicContact CD1-CD1 3.83Å; I129-L145 HydrophobicContact CD1-CD2 4.26Å; I129-L145 HydrophobicContact CD1-CG 4.4Å; L141-L145 HydrophobicContact CD1-CD1 4.33Å; L141-L145 HydrophobicContact CG-CD1 4.04Å; L141-L145 WeakPolarHBondContact O-CG 3.26Å; L141-L145 PolarHBondContact O-N 2.94Å; P142-L145 PolarHBondContact O-N 3.13Å; P142-L145 VanDerWaalsContact O-N 3.14Å; K143-L145 VanDerWaalsContact C-N 3.34Å; K143-L145 PolarHBondContact O-N 3.2Å; L145-E148 CarbonylContact O-C 3.49Å; L145-E148 PolarHBondContact O-N 3.49Å; L145-K150 CarbonylContact C-O 3.58Å; L145-K150 HydrophobicContact CB-CB 4.26Å; L145-K150 WeakPolarHBondContact O-CB 3.31Å; L145-K150 PolarHBondContact O-N 3.19Å; L145-V152 HydrophobicContact CB-CG2 3.88Å; L145-V152 HydrophobicContact CD1-CG2 4.14Å
146	E	97.3	Very high	93.9	Very high	89 Å²	89	67.5 Å²	67.5	42%	0.416	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-36.1	179.7	-71.6	176.6	151.4	0	0	112.5	P142 K143 E148 G149 K150 V152	P142-E146 WeakPolarHBondContact O-CB 3.4Å; P142-E146 VanDerWaalsContact O-CG 3.32Å; P142-E146 WeakPolarHBondContact O-CG 3.45Å; P142-E146 PolarHBondContact O-N 2.83Å; K143-E146 PolarHBondContact O-N 2.8Å; E146-E148 PolarHBondContact O-N 3.39Å; E146-G149 WeakPolarHBondContact O-CA 3.47Å; E146-G149 PolarHBondContact O-N 3.1Å; E146-K150 WeakPolarHBondContact CA-O 3.5Å; E146-K150 WeakPolarHBondContact CG-O 3.47Å; E146-V152 HydrophobicContact CG-CB 4.36Å; E146-V152 HydrophobicContact CG-CG2 4Å
147	N	96.6	Very high	94.6	Very high	136 Å²	136	61.8 Å²	61.8	73%	0.727	31%	0.313	S	S	*	.	H	α-helix	trans	-59.9	-25.8	173.4	-73.6	-13.3	0	0	0	112.7	K143 G149	K143-N147 WeakPolarHBondContact O-CB 3.24Å; K143-N147 PolarHBondContact O-N 3.1Å; K143-N147 PolarHBondContact O-ND2 2.72Å; K143-N147 PolarHBondContact O-OD1 2.86Å; N147-G149 VanDerWaalsContact C-N 3.33Å
148	E	96.1	Very high	95.2	Very high	133 Å²	133	60.1 Å²	60.1	62%	0.621	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	18.4	174.9	-66.3	-68.6	152.4	0	0	112.5	L118 L145 E146 K150	L118-E148 HydrophobicContact CD1-CB 4.15Å; L118-E148 HydrophobicContact CD1-CG 3.67Å; L118-E148 HydrophobicContact CD2-CB 3.54Å; L118-E148 HydrophobicContact CD2-CG 3.98Å; L118-E148 HydrophobicContact CG-CB 4.47Å; L118-E148 HydrophobicContact CG-CG 4.42Å; L145-E148 CarbonylContact O-C 3.49Å; L145-E148 PolarHBondContact O-N 3.49Å; E146-E148 PolarHBondContact O-N 3.39Å; E148-K150 VanDerWaalsContact C-N 3.31Å; E148-K150 PolarHBondContact O-N 3.15Å
149	G	96.3	Very high	95.8	Very high	67 Å²	67	51.7 Å²	51.7	69%	0.691	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	12.2	176.2	0	0	0	0	0	114.8	E146 N147	E146-G149 WeakPolarHBondContact O-CA 3.47Å; E146-G149 PolarHBondContact O-N 3.1Å; N147-G149 VanDerWaalsContact C-N 3.33Å
150	K	97.2	Very high	96	Very high	43 Å²	43	50.9 Å²	50.9	19%	0.187	27%	0.273	C	S	.	.			trans	-90	112.2	175.7	-57.2	-53.1	-172.3	178.7	0	110.4	L118 A122 L125 I129 L145 E146 E148 V152	L118-K150 HydrophobicContact CD2-CG 4Å; A122-K150 WeakPolarHBondContact O-CE 3.4Å; A122-K150 PolarHBondContact O-NZ 3.3Å; L125-K150 HydrophobicContact CB-CD 4.07Å; L125-K150 PolarHBondContact O-NZ 3.38Å; I129-K150 HydrophobicContact CD1-CB 4.02Å; L145-K150 CarbonylContact C-O 3.58Å; L145-K150 HydrophobicContact CB-CB 4.26Å; L145-K150 WeakPolarHBondContact O-CB 3.31Å; L145-K150 PolarHBondContact O-N 3.19Å; E146-K150 WeakPolarHBondContact CA-O 3.5Å; E146-K150 WeakPolarHBondContact CG-O 3.47Å; E148-K150 VanDerWaalsContact C-N 3.31Å; E148-K150 PolarHBondContact O-N 3.15Å; K150-V152 PolarHBondContact O-N 3.05Å
151	K	97.6	Very high	95.9	Very high	149 Å²	149	51 Å²	51	65%	0.648	27%	0.274	S	S	*	.			trans	-65.3	129.2	175.9	-178.2	166.5	173.5	-178.6	0	110.6	P128 I129	P128-K151 CarbonylContact C-O 3.59Å; P128-K151 VanDerWaalsContact CA-O 3.29Å; P128-K151 WeakPolarHBondContact CA-O 3.37Å; P128-K151 HydrophobicContact CB-CB 4.42Å; P128-K151 HydrophobicContact CB-CD 4.49Å; P128-K151 HydrophobicContact CB-CG 4.16Å; P128-K151 HydrophobicContact CG-CB 4.41Å; P128-K151 HydrophobicContact CG-CD 3.95Å; P128-K151 HydrophobicContact CG-CG 4.13Å; I129-K151 PolarHBondContact N-O 3.12Å
152	V	97.9	Very high	95.9	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.073	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.2	176.2	-174.5	0	0	0	0	109.2	I129 F131 P142 L145 E146 K150 I154	I129-V152 HydrophobicContact CB-CG2 4.33Å; I129-V152 HydrophobicContact CD1-CG2 4.27Å; F131-V152 HydrophobicContact CB-CG1 3.64Å; F131-V152 HydrophobicContact CD1-CG1 4.23Å; F131-V152 HydrophobicContact CG-CG1 4.26Å; P142-V152 HydrophobicContact CB-CB 4.44Å; P142-V152 HydrophobicContact CB-CG1 4.31Å; P142-V152 HydrophobicContact CG-CG1 4.45Å; L145-V152 HydrophobicContact CB-CG2 3.88Å; L145-V152 HydrophobicContact CD1-CG2 4.14Å; E146-V152 HydrophobicContact CG-CB 4.36Å; E146-V152 HydrophobicContact CG-CG2 4Å; K150-V152 PolarHBondContact O-N 3.05Å; V152-I154 HydrophobicContact CG1-CG1 3.93Å
153	N	97.5	Very high	95.8	Very high	41 Å²	41	55.3 Å²	55.3	22%	0.219	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	96.4	172.7	-172.3	15.4	0	0	0	109.4	Y50 H57 P128 I129 F131 I155	Y50-N153 WeakPolarHBondContact CE1-ND2 3.42Å; Y50-N153 PolarHBondContact OH-ND2 3.07Å; H57-N153 PolarHBondContact NE2-ND2 3.35Å; P128-N153 HydrophobicContact CB-CB 4.4Å; I129-N153 PolarHBondContact O-N 3.23Å; F131-N153 PolarHBondContact N-O 2.95Å; N153-I155 WeakPolarHBondContact OD1-CD1 3.43Å
154	I	96.9	Very high	95.5	Very high	60 Å²	60	55.7 Å²	55.7	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.1	-177.6	-49.9	-176	0	0	0	109.3	F131 C133 P142 V152	F131-I154 HydrophobicContact CD1-CG1 4.15Å; F131-I154 HydrophobicContact CD1-CG2 4.21Å; F131-I154 WeakPolarHBondContact O-CA 3.48Å; C133-I154 WeakPolarHBondContact SG-CG2 3.26Å; P142-I154 HydrophobicContact CB-CD1 3.78Å; P142-I154 HydrophobicContact CB-CG1 4.49Å; P142-I154 HydrophobicContact CG-CD1 3.7Å; P142-I154 HydrophobicContact CG-CG1 4.3Å; V152-I154 HydrophobicContact CG1-CG1 3.93Å
155	I	96.6	Very high	95.3	Very high	18 Å²	18	58.1 Å²	58.1	9%	0.092	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.3	178.7	-55.9	-59.9	0	0	0	109.9	N46 L47 Y50 F130 F131 P132 C133 N153 A157	N46-I155 HydrophobicContact CB-CG2 4.28Å; L47-I155 HydrophobicContact CD2-CG2 4.07Å; Y50-I155 HydrophobicContact CD2-CG1 4.39Å; Y50-I155 HydrophobicContact CD2-CG2 4.49Å; Y50-I155 HydrophobicContact CE1-CD1 4.26Å; Y50-I155 HydrophobicContact CE1-CG1 4.27Å; Y50-I155 HydrophobicContact CE2-CD1 3.61Å; Y50-I155 HydrophobicContact CE2-CG1 3.81Å; Y50-I155 HydrophobicContact CE2-CG2 4.22Å; Y50-I155 WeakPolarHBondContact OH-CD1 3.46Å; F130-I155 HydrophobicContact CD2-CG1 4.27Å; F130-I155 HydrophobicContact CE2-CB 4.1Å; F130-I155 HydrophobicContact CE2-CG1 3.77Å; F131-I155 PolarHBondContact O-N 3.09Å; P132-I155 CarbonylContact C-O 3.59Å; P132-I155 WeakPolarHBondContact CA-O 3.31Å; C133-I155 PolarHBondContact N-O 3.4Å; N153-I155 WeakPolarHBondContact OD1-CD1 3.43Å; I155-A157 PolarHBondContact O-N 3.14Å
156	T	96.8	Very high	95.2	Very high	45 Å²	45	58.2 Å²	58.2	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	97.9	173.9	-52.7	0	0	0	0	109.6	N43 N46 C133 Q135	N43-T156 WeakPolarHBondContact CB-O 3.38Å; N43-T156 VanDerWaalsContact ND2-CG2 3.35Å; N43-T156 WeakPolarHBondContact ND2-CG2 3.24Å; N43-T156 PolarHBondContact ND2-O 2.97Å; N46-T156 PolarHBondContact ND2-O 3.41Å; C133-T156 CarbonylContact O-C 3.51Å; C133-T156 WeakPolarHBondContact O-CA 3.4Å; Q135-T156 HydrophobicContact CB-CG2 3.68Å; Q135-T156 HydrophobicContact CG-CG2 4.37Å
157	A	97	Very high	95	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-29	-177.6	0	0	0	0	0	112.6	N43 L47 A70 P132 C133 I155	N43-A157 PolarHBondContact N-O 3.23Å; L47-A157 HydrophobicContact CD1-CB 4.02Å; L47-A157 HydrophobicContact CD2-CB 4.17Å; L47-A157 HydrophobicContact CG-CB 4.42Å; A70-A157 HydrophobicContact CB-CB 3.82Å; A70-A157 WeakPolarHBondContact CB-O 3.35Å; P132-A157 HydrophobicContact CB-CB 3.76Å; C133-A157 PolarHBondContact O-N 2.66Å; I155-A157 PolarHBondContact O-N 3.14Å
158	Y	95.2	Very high	94.9	Very high	24 Å²	24	55.4 Å²	55.4	9%	0.094	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160	175.5	71.3	-89	0	0	0	111.1	F40 E41 S64 R66 G134 Q135	F40-Y158 AromaticContact CD1-CD2 3.84Å; F40-Y158 HydrophobicContact CD1-CD2 3.84Å; F40-Y158 AromaticContact CD1-CE2 3.88Å; F40-Y158 HydrophobicContact CD1-CE2 3.88Å; F40-Y158 HydrophobicContact CE1-CE2 4.18Å; E41-Y158 CarbonylContact O-C 3.44Å; E41-Y158 WeakPolarHBondContact O-CA 3.36Å; E41-Y158 VanDerWaalsContact O-CB 3.26Å; E41-Y158 WeakPolarHBondContact O-CB 3.14Å; S64-Y158 PolarHBondContact OG-OH 2.87Å; S64-Y158 VanDerWaalsContact OG-OH 3.12Å; R66-Y158 HydrophobicContact CB-CD1 3.86Å; R66-Y158 HydrophobicContact CB-CD2 4.43Å; R66-Y158 HydrophobicContact CB-CE1 3.6Å; R66-Y158 HydrophobicContact CB-CE2 4.22Å; R66-Y158 HydrophobicContact CB-CG 4.26Å; G134-Y158 CarbonylContact C-O 3.54Å; G134-Y158 VanDerWaalsContact CA-CZ 3.5Å; G134-Y158 VanDerWaalsContact CA-O 3.28Å; G134-Y158 WeakPolarHBondContact CA-O 3.12Å; Q135-Y158 PolarHBondContact N-O 2.66Å
159	S	94.5	Very high	94.7	Very high	7 Å²	7	52.7 Å²	52.7	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.2	174.6	-63.9	0	0	0	0	109.5	F40 E41 N43 Q135	F40-S159 WeakPolarHBondContact CA-O 3.41Å; E41-S159 PolarHBondContact N-O 2.66Å; E41-S159 PolarHBondContact O-N 3.03Å; N43-S159 PolarHBondContact ND2-OG 2.89Å; Q135-S159 PolarHBondContact OE1-OG 2.97Å
160	S	90.7	Very high	94.7	Very high	49 Å²	49	49.5 Å²	49.5	34%	0.343	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.6	170.9	-48.1	0	0	0	0	107.6	D39 F40	D39-S160 WeakPolarHBondContact O-CA 3.49Å; F40-S160 VanDerWaalsContact CE1-OG 3.32Å; F40-S160 WeakPolarHBondContact CE1-OG 3.21Å
161	V	91.7	Very high	94.4	Very high	41 Å²	41	51.5 Å²	51.5	25%	0.248	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.6	176.3	-59.7	0	0	0	0	109.3	L38 D39 E41 N163	L38-V161 CarbonylContact C-O 3.57Å; L38-V161 VanDerWaalsContact CA-O 3.28Å; L38-V161 WeakPolarHBondContact CA-O 3.41Å; L38-V161 WeakPolarHBondContact CD2-O 3.42Å; D39-V161 HydrophobicContact CB-CG2 3.81Å; D39-V161 PolarHBondContact N-O 3.37Å; D39-V161 PolarHBondContact O-N 2.92Å; E41-V161 HydrophobicContact CG-CG1 4.12Å; E41-V161 HydrophobicContact CG-CG2 3.98Å; V161-N163 PolarHBondContact O-N 3.39Å
162	E	92.2	Very high	94	Very high	85 Å²	85	47.5 Å²	47.5	40%	0.397	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	134.4	174.5	-176.8	-177.4	136	0	0	110.2	T164 H167 L194	E162-T164 PolarHBondContact O-N 3.15Å; E162-H167 IonicContact OE1-CD2 2.95Å; E162-H167 PolarHBondContact OE1-CD2 3.45Å; E162-H167 IonicContact OE1-NE2 3.33Å; E162-H167 PolarHBondContact OE1-NE2 2.86Å; E162-L194 HydrophobicContact CB-CD2 4.04Å; E162-L194 HydrophobicContact CG-CD1 4.35Å; E162-L194 HydrophobicContact CG-CD2 3.81Å; E162-L194 WeakPolarHBondContact OE2-CD2 3.47Å
163	N	92.6	Very high	93.7	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.053	24%	0.244	C	C	.	.			trans	-71	118	173.2	-177.3	-66.3	0	0	0	109.4	E36 T37 D39 V161 Q165 L166	E36-N163 VanDerWaalsContact O-CB 3.3Å; E36-N163 WeakPolarHBondContact O-CB 3.07Å; T37-N163 PolarHBondContact O-N 2.99Å; D39-N163 VanDerWaalsContact CG-ND2 3.32Å; D39-N163 PolarHBondContact OD1-ND2 3.31Å; D39-N163 WeakPolarHBondContact OD2-CA 3.41Å; D39-N163 PolarHBondContact OD2-ND2 3.18Å; V161-N163 PolarHBondContact O-N 3.39Å; N163-Q165 PolarHBondContact O-N 3.18Å; N163-Q165 WeakPolarHBondContact OD1-CA 3.26Å; N163-Q165 WeakPolarHBondContact OD1-CB 3.5Å; N163-Q165 PolarHBondContact OD1-N 3.49Å; N163-L166 HydrophobicContact CB-CB 4.39Å; N163-L166 WeakPolarHBondContact O-CB 3.26Å; N163-L166 PolarHBondContact O-N 3.32Å; N163-L166 PolarHBondContact OD1-N 3.21Å
164	T	90.9	Very high	93.3	Very high	120 Å²	120	45.9 Å²	45.9	74%	0.736	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20	-173.2	55.2	0	0	0	0	113.9	E162	E162-T164 PolarHBondContact O-N 3.15Å
165	Q	92.6	Very high	92.5	Very high	92 Å²	92	46 Å²	46	43%	0.43	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.3	179.5	-57	178.1	6.9	0	0	112.9	N163 H167 E168 K169	N163-Q165 PolarHBondContact O-N 3.18Å; N163-Q165 WeakPolarHBondContact OD1-CA 3.26Å; N163-Q165 WeakPolarHBondContact OD1-CB 3.5Å; N163-Q165 PolarHBondContact OD1-N 3.49Å; Q165-H167 PolarHBondContact O-N 2.92Å; Q165-E168 PolarHBondContact O-N 2.94Å; Q165-K169 HydrophobicContact CB-CD 4.12Å; Q165-K169 HydrophobicContact CB-CG 4.38Å; Q165-K169 WeakPolarHBondContact O-CB 3.45Å; Q165-K169 WeakPolarHBondContact O-CG 3.36Å; Q165-K169 PolarHBondContact O-N 3.04Å
166	L	94.5	Very high	91.6	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-51.6	-175.4	172.4	62.1	0	0	0	111.8	L6 L35 T37 N163 L170 L194 T195	L6-L166 HydrophobicContact CD2-CD1 4.35Å; L35-L166 HydrophobicContact CB-CD1 4.29Å; T37-L166 HydrophobicContact CG2-CD1 4.02Å; T37-L166 HydrophobicContact CG2-CD2 4.29Å; N163-L166 HydrophobicContact CB-CB 4.39Å; N163-L166 WeakPolarHBondContact O-CB 3.26Å; N163-L166 PolarHBondContact O-N 3.32Å; N163-L166 PolarHBondContact OD1-N 3.21Å; L166-L170 VanDerWaalsContact O-CB 3.24Å; L166-L170 WeakPolarHBondContact O-CB 3.32Å; L166-L170 PolarHBondContact O-N 3.29Å; L166-L194 HydrophobicContact CD2-CB 3.86Å; L166-L194 HydrophobicContact CD2-CD1 4.28Å; L166-T195 HydrophobicContact CD1-CG2 4.26Å; L166-T195 HydrophobicContact CD2-CG2 3.94Å; L166-T195 HydrophobicContact CG-CG2 4.2Å
167	H	94.4	Very high	90.5	Very high	41 Å²	41	51.4 Å²	51.4	19%	0.19	27%	0.267	C	S	.	.	H	α-helix	trans	-67.2	-42.4	-174.8	-73.9	-84.3	0	0	0	113	E162 Q165 R171 L194 I198	E162-H167 IonicContact OE1-CD2 2.95Å; E162-H167 PolarHBondContact OE1-CD2 3.45Å; E162-H167 IonicContact OE1-NE2 3.33Å; E162-H167 PolarHBondContact OE1-NE2 2.86Å; Q165-H167 PolarHBondContact O-N 2.92Å; H167-R171 WeakPolarHBondContact O-CB 3.18Å; H167-R171 WeakPolarHBondContact O-CG 3.33Å; H167-R171 PolarHBondContact O-N 3.36Å; H167-L194 PolarHBondContact CE1-O 3.32Å; H167-L194 PolarHBondContact NE2-O 2.87Å; H167-I198 HydrophobicContact CB-CD1 4.14Å; H167-I198 WeakPolarHBondContact ND1-CD1 3.26Å
168	E	93.3	Very high	89.3	Confident	126 Å²	126	59.2 Å²	59.2	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-64	-53.4	177.8	-175.8	-174.9	169.6	0	0	110	Q165 L170 R171 L172	Q165-E168 PolarHBondContact O-N 2.94Å; E168-L170 VanDerWaalsContact C-N 3.35Å; E168-L170 PolarHBondContact O-N 2.94Å; E168-R171 PolarHBondContact O-N 2.82Å; E168-R171 VanDerWaalsContact O-N 3.15Å; E168-L172 HydrophobicContact CG-CD1 4.08Å; E168-L172 HydrophobicContact CG-CG 4.47Å; E168-L172 WeakPolarHBondContact O-CG 3.49Å; E168-L172 PolarHBondContact O-N 3.37Å
169	K	93.2	Very high	88.8	Confident	75 Å²	75	61.6 Å²	61.6	33%	0.326	33%	0.327	S	S	.	.	H	α-helix	trans	-58.9	-45.4	178.9	-69.9	177.7	180	169.2	0	111.7	L35 Q165 R171 L172 N173	L35-K169 HydrophobicContact CD1-CB 4.18Å; L35-K169 HydrophobicContact CD2-CB 3.68Å; L35-K169 HydrophobicContact CD2-CD 4Å; L35-K169 HydrophobicContact CD2-CG 4.41Å; Q165-K169 HydrophobicContact CB-CD 4.12Å; Q165-K169 HydrophobicContact CB-CG 4.38Å; Q165-K169 WeakPolarHBondContact O-CB 3.45Å; Q165-K169 WeakPolarHBondContact O-CG 3.36Å; Q165-K169 PolarHBondContact O-N 3.04Å; K169-R171 VanDerWaalsContact C-N 3.33Å; K169-R171 PolarHBondContact O-N 2.61Å; K169-L172 PolarHBondContact O-N 3.31Å; K169-N173 PolarHBondContact O-N 3.33Å; K169-N173 PolarHBondContact O-OD1 3.16Å
170	L	94.6	Very high	88.6	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-41.8	178.4	-177.9	59.3	0	0	0	111.8	L6 L35 L166 E168 N173 L174 L184 T195 I198	L6-L170 HydrophobicContact CD2-CD1 4.3Å; L6-L170 HydrophobicContact CD2-CD2 4.05Å; L35-L170 HydrophobicContact CD1-CB 3.92Å; L35-L170 HydrophobicContact CD1-CD1 4.12Å; L166-L170 VanDerWaalsContact O-CB 3.24Å; L166-L170 WeakPolarHBondContact O-CB 3.32Å; L166-L170 PolarHBondContact O-N 3.29Å; E168-L170 VanDerWaalsContact C-N 3.35Å; E168-L170 PolarHBondContact O-N 2.94Å; L170-N173 PolarHBondContact O-N 2.91Å; L170-L174 HydrophobicContact CD1-CD1 3.93Å; L170-L174 HydrophobicContact CD1-CG 4.19Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.11Å; L170-L174 VanDerWaalsContact O-N 3.09Å; L170-L184 HydrophobicContact CD1-CD2 4.45Å; L170-T195 HydrophobicContact CD2-CG2 3.62Å; L170-I198 HydrophobicContact CB-CD1 4.23Å; L170-I198 HydrophobicContact CD2-CB 4.22Å; L170-I198 HydrophobicContact CD2-CD1 3.91Å; L170-I198 HydrophobicContact CD2-CG2 3.86Å; L170-I198 HydrophobicContact CG-CD1 4.27Å; L170-I198 HydrophobicContact CG-CG2 4.11Å
171	R	91.6	Very high	88.8	Confident	86 Å²	86	62.8 Å²	62.8	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-42.7	174.8	-78.3	-171.8	174.1	97.6	-0.9	112.2	H167 E168 K169 N173 L174 C175 I198	H167-R171 WeakPolarHBondContact O-CB 3.18Å; H167-R171 WeakPolarHBondContact O-CG 3.33Å; H167-R171 PolarHBondContact O-N 3.36Å; E168-R171 PolarHBondContact O-N 2.82Å; E168-R171 VanDerWaalsContact O-N 3.15Å; K169-R171 VanDerWaalsContact C-N 3.33Å; K169-R171 PolarHBondContact O-N 2.61Å; R171-N173 PolarHBondContact O-N 2.79Å; R171-L174 PolarHBondContact O-N 3.36Å; R171-L174 VanDerWaalsContact O-N 3.13Å; R171-C175 VanDerWaalsContact O-CB 3.3Å; R171-C175 WeakPolarHBondContact O-CB 3.28Å; R171-C175 PolarHBondContact O-N 3.49Å; R171-I198 HydrophobicContact CG-CD1 3.99Å; R171-I198 HydrophobicContact CG-CG1 4.28Å
172	L	90.6	Very high	89	Confident	64 Å²	64	65 Å²	65	34%	0.335	34%	0.336	S	S	.	.	I	π-helix	trans	-57.2	-50.2	175.4	-71	172.4	0	0	0	110.5	E168 K169 L174 E176 G177	E168-L172 HydrophobicContact CG-CD1 4.08Å; E168-L172 HydrophobicContact CG-CG 4.47Å; E168-L172 WeakPolarHBondContact O-CG 3.49Å; E168-L172 PolarHBondContact O-N 3.37Å; K169-L172 PolarHBondContact O-N 3.31Å; L172-L174 PolarHBondContact O-N 3.18Å; L172-E176 HydrophobicContact CD2-CB 4.4Å; L172-E176 HydrophobicContact CD2-CG 4.42Å; L172-E176 WeakPolarHBondContact CD2-OE2 3.3Å; L172-E176 CarbonylContact O-C 3.58Å; L172-E176 PolarHBondContact O-N 3.48Å; L172-G177 PolarHBondContact O-N 3.38Å
173	N	90.1	Very high	89.3	Confident	20 Å²	20	61 Å²	61	11%	0.107	32%	0.317	C	S	.	.	I	π-helix	trans	-58.6	-34.1	176.9	-74	62.2	0	0	0	113	Y2 V4 D33 K169 L170 R171 P181	Y2-N173 PolarHBondContact OH-ND2 3.45Å; V4-N173 HydrophobicContact CG2-CB 4.49Å; D33-N173 PolarHBondContact OD2-ND2 2.97Å; K169-N173 PolarHBondContact O-N 3.33Å; K169-N173 PolarHBondContact O-OD1 3.16Å; L170-N173 PolarHBondContact O-N 2.91Å; R171-N173 PolarHBondContact O-N 2.79Å; N173-P181 WeakPolarHBondContact O-CD 3.37Å
174	L	89.3	Confident	89.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.315	C	S	.	.	I	π-helix	trans	-87.6	-37.8	-176.5	-68	173.3	0	0	0	114.1	L170 R171 L172 P181 I198 I203 R207 I210	L170-L174 HydrophobicContact CD1-CD1 3.93Å; L170-L174 HydrophobicContact CD1-CG 4.19Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 WeakPolarHBondContact O-CG 3.33Å; L170-L174 PolarHBondContact O-N 3.11Å; L170-L174 VanDerWaalsContact O-N 3.09Å; R171-L174 PolarHBondContact O-N 3.36Å; R171-L174 VanDerWaalsContact O-N 3.13Å; L172-L174 PolarHBondContact O-N 3.18Å; L174-P181 HydrophobicContact CD2-CG 3.82Å; L174-I198 HydrophobicContact CD1-CG2 3.64Å; L174-I203 HydrophobicContact CD1-CD1 3.64Å; L174-I203 HydrophobicContact CD1-CG1 4.27Å; L174-I203 HydrophobicContact CD2-CD1 3.5Å; L174-I203 HydrophobicContact CG-CD1 4.2Å; L174-R207 PolarHBondContact O-NE 2.95Å; L174-R207 PolarHBondContact O-NH2 3.4Å; L174-I210 HydrophobicContact CD2-CD1 3.72Å
175	C	80.7	Confident	89.9	Confident	61 Å²	61	54.8 Å²	54.8	41%	0.412	28%	0.28	S	S	.	.	I	π-helix	trans	-105.6	-34.7	-167.7	-62.5	0	0	0	0	113.7	R171 R207	R171-C175 VanDerWaalsContact O-CB 3.3Å; R171-C175 WeakPolarHBondContact O-CB 3.28Å; R171-C175 PolarHBondContact O-N 3.49Å; C175-R207 PolarHBondContact SG-NH2 3.07Å
176	E	77.6	Confident	90.2	Very high	153 Å²	153	50.4 Å²	50.4	72%	0.715	26%	0.259	S	S	*	.	I	π-helix	trans	-115.6	-17.9	-174.8	-62.8	179.8	-158.8	0	0	112.5	L172	L172-E176 HydrophobicContact CD2-CB 4.4Å; L172-E176 HydrophobicContact CD2-CG 4.42Å; L172-E176 WeakPolarHBondContact CD2-OE2 3.3Å; L172-E176 CarbonylContact O-C 3.58Å; L172-E176 PolarHBondContact O-N 3.48Å
177	G	72.7	Confident	90.3	Very high	25 Å²	25	51.9 Å²	51.9	26%	0.258	27%	0.266	S	S	.	.			trans	-63.2	132.2	-179.6	0	0	0	0	0	112.6	L172 P179 I180	L172-G177 PolarHBondContact O-N 3.38Å; G177-P179 CarbonylContact C-O 3.58Å; G177-P179 CarbonylContact O-C 3.53Å; G177-I180 WeakPolarHBondContact O-CG1 3.4Å; G177-I180 PolarHBondContact O-N 2.85Å
178	N	71.9	Confident	90.3	Very high	163 Å²	163	51.2 Å²	51.2	87%	0.872	27%	0.266	S	S	*	.	S	Bend	trans	-124.6	109.2	166.3	-169.9	5.8	0	0	0	109.2
179	P	85.9	Confident	90.4	Very high	74 Å²	74	47.6 Å²	47.6	48%	0.481	25%	0.253	S	S	.	.	S	Bend	cis	-77.7	160.3	3.5	32.6	-35.1	0	0	0	113.5	Y2 G177	Y2-P179 HydrophobicContact CD1-CB 4.41Å; Y2-P179 HydrophobicContact CD1-CG 3.88Å; Y2-P179 WeakPolarHBondContact CD1-O 3.41Å; Y2-P179 WeakPolarHBondContact CE1-O 3.5Å; Y2-P179 HydrophobicContact CG-CG 4.32Å; G177-P179 CarbonylContact C-O 3.58Å; G177-P179 CarbonylContact O-C 3.53Å
180	I	90.6	Very high	90.3	Very high	78 Å²	78	46.3 Å²	46.3	40%	0.4	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-74.2	142.9	166.2	-63.3	175.5	0	0	0	108.8	Y2 G177 E182 I210	Y2-I180 VanDerWaalsContact CD1-C 3.5Å; G177-I180 WeakPolarHBondContact O-CG1 3.4Å; G177-I180 PolarHBondContact O-N 2.85Å; I180-E182 PolarHBondContact O-N 3.45Å; I180-I210 HydrophobicContact CG2-CD1 4.1Å
181	P	94.7	Very high	90.4	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.019	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-62.8	135.8	178.3	25.6	-35.1	0	0	0	112.4	Y2 V4 N173 L174 C183 L184 I210	Y2-P181 HydrophobicContact CD1-CB 3.9Å; Y2-P181 VanDerWaalsContact CD1-N 3.34Å; Y2-P181 HydrophobicContact CE1-CB 3.91Å; Y2-P181 HydrophobicContact CE1-CG 4.36Å; Y2-P181 HydrophobicContact CG-CB 4.41Å; V4-P181 HydrophobicContact CB-CB 4.49Å; V4-P181 HydrophobicContact CG2-CB 3.75Å; V4-P181 HydrophobicContact CG2-CG 4.08Å; N173-P181 WeakPolarHBondContact O-CD 3.37Å; L174-P181 HydrophobicContact CD2-CG 3.82Å; P181-C183 VanDerWaalsContact C-N 3.34Å; P181-L184 HydrophobicContact CB-CD2 4.21Å; P181-L184 HydrophobicContact CG-CD2 4.02Å; P181-I210 WeakPolarHBondContact O-CD1 3.41Å; P181-I210 WeakPolarHBondContact O-CG1 3.37Å
182	E	96	Very high	90.7	Very high	88 Å²	88	42.2 Å²	42.2	41%	0.411	24%	0.238	S	C	.	.	S	Bend	trans	-82.3	-19.2	172.3	-68.6	163.1	-104.2	0	0	111.2	M1 Y2 I180 K211	M1-E182 WeakPolarHBondContact CA-OE1 3.32Å; M1-E182 WeakPolarHBondContact CA-OE2 3.43Å; M1-E182 HydrophobicContact CG-CB 3.99Å; M1-E182 PolarHBondContact N-OE1 3.34Å; M1-E182 PolarHBondContact N-OE2 3.11Å; Y2-E182 PolarHBondContact N-OE1 3.48Å; Y2-E182 PolarHBondContact O-N 2.85Å; I180-E182 PolarHBondContact O-N 3.45Å; E182-K211 PolarHBondContact O-N 2.95Å
183	C	97.4	Very high	90.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.2	-177.3	-176.3	0	0	0	0	112.9	M1 Y2 V3 V4 P181 K211 V213 L246	M1-C183 HydrophobicContact SD-CB 4.41Å; Y2-C183 PolarHBondContact O-N 2.96Å; V3-C183 WeakPolarHBondContact CA-O 3.38Å; V3-C183 HydrophobicContact CG1-CB 4.38Å; V3-C183 HydrophobicContact CG2-CB 4.23Å; V4-C183 PolarHBondContact N-O 3.01Å; P181-C183 VanDerWaalsContact C-N 3.34Å; C183-K211 CarbonylContact C-O 3.04Å; C183-K211 VanDerWaalsContact CA-O 3.22Å; C183-K211 WeakPolarHBondContact CA-O 3.48Å; C183-K211 HydrophobicContact CB-CB 4.3Å; C183-K211 PolarHBondContact SG-O 2.87Å; C183-V213 VanDerWaalsContact SG-CG2 3.52Å; C183-L246 HydrophobicContact CB-CD2 4.42Å; C183-L246 VanDerWaalsContact SG-CD2 3.52Å
184	L	98.1	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.6	167.8	-55.9	-177.9	0	0	0	109.6	V4 L6 L170 P181 F186 I203 I210 K211 L212 V213	V4-L184 HydrophobicContact CB-CD2 3.73Å; V4-L184 HydrophobicContact CG1-CD2 4.29Å; V4-L184 HydrophobicContact CG2-CD2 4.37Å; V4-L184 WeakPolarHBondContact O-CA 3.47Å; L6-L184 HydrophobicContact CD1-CB 3.94Å; L6-L184 HydrophobicContact CD1-CD2 4.38Å; L170-L184 HydrophobicContact CD1-CD2 4.45Å; P181-L184 HydrophobicContact CB-CD2 4.21Å; P181-L184 HydrophobicContact CG-CD2 4.02Å; L184-F186 HydrophobicContact CB-CE2 3.89Å; L184-F186 HydrophobicContact CD1-CE2 4.45Å; L184-I203 HydrophobicContact CD1-CD1 4.05Å; L184-I203 HydrophobicContact CD1-CG1 4.33Å; L184-I210 HydrophobicContact CD1-CG2 4.23Å; L184-I210 HydrophobicContact CG-CG2 3.76Å; L184-K211 PolarHBondContact N-O 3.01Å; L184-L212 HydrophobicContact CB-CD2 3.95Å; L184-L212 HydrophobicContact CD1-CD2 4.11Å; L184-L212 HydrophobicContact CG-CD2 4.3Å; L184-V213 PolarHBondContact O-N 3.34Å
185	V	98.4	Very high	91.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119	179.4	-173.3	0	0	0	0	109.9	V3 V4 L5 L6 F187 V213 M215 L242 L246	V3-V185 HydrophobicContact CG1-CG2 3.58Å; V4-V185 PolarHBondContact O-N 2.8Å; L5-V185 HydrophobicContact CD2-CB 3.69Å; L5-V185 HydrophobicContact CD2-CG1 4.27Å; L5-V185 HydrophobicContact CD2-CG2 3.65Å; L6-V185 PolarHBondContact N-O 2.83Å; V185-F187 HydrophobicContact CB-CE2 4.2Å; V185-F187 HydrophobicContact CG1-CD2 4.23Å; V185-F187 HydrophobicContact CG1-CE2 3.7Å; V185-F187 HydrophobicContact CG1-CZ 4.29Å; V185-V213 CarbonylContact C-O 3.58Å; V185-V213 WeakPolarHBondContact CA-O 3.43Å; V185-V213 HydrophobicContact CG1-CB 4.37Å; V185-V213 HydrophobicContact CG1-CG1 4.25Å; V185-V213 HydrophobicContact CG2-CB 4.16Å; V185-M215 HydrophobicContact CG1-CG 4.11Å; V185-M215 HydrophobicContact CG1-SD 4.3Å; V185-L242 HydrophobicContact CG1-CD1 3.6Å; V185-L242 HydrophobicContact CG1-CD2 4.02Å; V185-L242 HydrophobicContact CG1-CG 4.49Å; V185-L242 HydrophobicContact CG2-CD1 4.08Å; V185-L246 HydrophobicContact CG2-CD2 4.31Å
186	F	98.3	Very high	92.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.3	178.6	-72.3	-88.9	0	0	0	111.5	L6 L184 V192 T195 L199 L212 V213 M215 T219 L223	L6-F186 HydrophobicContact CB-CD1 4.09Å; L6-F186 HydrophobicContact CB-CE1 4.16Å; L6-F186 HydrophobicContact CD1-CD1 4.47Å; L6-F186 HydrophobicContact CD1-CE1 4.09Å; L6-F186 HydrophobicContact CD1-CE2 4.13Å; L6-F186 HydrophobicContact CD1-CZ 3.9Å; L6-F186 HydrophobicContact CD2-CE1 3.75Å; L6-F186 HydrophobicContact CD2-CZ 4.04Å; L6-F186 HydrophobicContact CG-CE1 4.23Å; L6-F186 HydrophobicContact CG-CZ 4.47Å; L184-F186 HydrophobicContact CB-CE2 3.89Å; L184-F186 HydrophobicContact CD1-CE2 4.45Å; F186-V192 HydrophobicContact CB-CG2 3.83Å; F186-V192 HydrophobicContact CD1-CB 4.3Å; F186-V192 HydrophobicContact CD1-CG2 3.59Å; F186-V192 HydrophobicContact CE1-CG2 4.31Å; F186-V192 HydrophobicContact CG-CG2 3.72Å; F186-T195 HydrophobicContact CE1-CG2 4.44Å; F186-T195 WeakPolarHBondContact CE1-OG1 3.47Å; F186-L199 HydrophobicContact CE1-CD1 4.45Å; F186-L199 HydrophobicContact CE2-CD2 4.22Å; F186-L199 HydrophobicContact CZ-CD1 4.03Å; F186-L199 HydrophobicContact CZ-CD2 3.88Å; F186-L199 HydrophobicContact CZ-CG 4.36Å; F186-L212 HydrophobicContact CE2-CD2 4.36Å; F186-V213 PolarHBondContact N-O 3.32Å; F186-M215 PolarHBondContact O-N 2.98Å; F186-T219 HydrophobicContact CB-CG2 3.56Å; F186-T219 WeakPolarHBondContact O-CG2 3.48Å; F186-L223 HydrophobicContact CD2-CD1 4.22Å; F186-L223 HydrophobicContact CD2-CD2 4.13Å; F186-L223 HydrophobicContact CE2-CD2 4.25Å
187	F	96.6	Very high	93.2	Very high	33 Å²	33	39.7 Å²	39.7	15%	0.145	23%	0.227	C	C	.	.			trans	-93.2	-17.1	-176.9	-76.3	-107.9	0	0	0	114.5	L5 L6 K7 Y21 V185 M215 L242	L5-F187 HydrophobicContact CB-CE2 3.95Å; L5-F187 HydrophobicContact CD2-CE2 4.16Å; L5-F187 HydrophobicContact CD2-CZ 4.45Å; L5-F187 HydrophobicContact CG-CE2 4.49Å; L6-F187 WeakPolarHBondContact O-CD2 3.32Å; L6-F187 PolarHBondContact O-N 2.82Å; L6-F187 VanDerWaalsContact O-N 3.11Å; K7-F187 HydrophobicContact CB-CB 4.15Å; K7-F187 HydrophobicContact CB-CD1 4.3Å; K7-F187 HydrophobicContact CB-CD2 3.68Å; K7-F187 HydrophobicContact CB-CE2 4.13Å; K7-F187 HydrophobicContact CB-CG 3.77Å; K7-F187 HydrophobicContact CD-CD1 4Å; K7-F187 HydrophobicContact CD-CE1 4.01Å; K7-F187 HydrophobicContact CD-CG 4.33Å; K7-F187 HydrophobicContact CD-CZ 4.35Å; K7-F187 HydrophobicContact CG-CB 3.99Å; K7-F187 HydrophobicContact CG-CD1 3.76Å; K7-F187 HydrophobicContact CG-CD2 4.07Å; K7-F187 HydrophobicContact CG-CE1 4.24Å; K7-F187 HydrophobicContact CG-CG 3.65Å; Y21-F187 AromaticContact CD1-CE1 3.88Å; Y21-F187 HydrophobicContact CD1-CE1 3.88Å; Y21-F187 AromaticContact CD1-CZ 3.91Å; Y21-F187 HydrophobicContact CD1-CZ 3.91Å; Y21-F187 AromaticContact CD2-CE1 3.88Å; Y21-F187 HydrophobicContact CD2-CE1 3.88Å; Y21-F187 HydrophobicContact CD2-CZ 4.22Å; Y21-F187 AromaticContact CE1-CE1 3.65Å; Y21-F187 HydrophobicContact CE1-CE1 3.65Å; Y21-F187 HydrophobicContact CE1-CZ 4.12Å; Y21-F187 AromaticContact CE2-CE1 3.68Å; Y21-F187 HydrophobicContact CE2-CE1 3.68Å; Y21-F187 HydrophobicContact CE2-CZ 4.46Å; Y21-F187 AromaticContact CG-CE1 3.97Å; Y21-F187 HydrophobicContact CG-CE1 3.97Å; Y21-F187 AromaticContact CG-CZ 3.93Å; Y21-F187 HydrophobicContact CG-CZ 3.93Å; Y21-F187 AromaticContact CZ-CE1 3.54Å; V185-F187 HydrophobicContact CB-CE2 4.2Å; V185-F187 HydrophobicContact CG1-CD2 4.23Å; V185-F187 HydrophobicContact CG1-CE2 3.7Å; V185-F187 HydrophobicContact CG1-CZ 4.29Å; F187-M215 HydrophobicContact CB-CG 4.44Å; F187-M215 HydrophobicContact CD1-CB 4.37Å; F187-M215 HydrophobicContact CD1-CG 3.67Å; F187-M215 HydrophobicContact CD2-CG 4.15Å; F187-M215 HydrophobicContact CE1-CE 4.35Å; F187-M215 HydrophobicContact CE1-CG 3.85Å; F187-M215 HydrophobicContact CE1-SD 4.38Å; F187-M215 HydrophobicContact CE2-CG 4.31Å; F187-M215 HydrophobicContact CG-CB 4.49Å; F187-M215 HydrophobicContact CG-CG 3.84Å; F187-M215 HydrophobicContact CZ-CG 4.18Å; F187-L242 HydrophobicContact CZ-CD2 4.07Å
188	S	94.3	Very high	94.3	Very high	26 Å²	26	38.5 Å²	38.5	18%	0.182	22%	0.215	C	C	.	.	S	Bend	trans	-152.7	157.9	-178.5	65.7	0	0	0	0	112.1	S190 G191 V192 T219	S188-S190 PolarHBondContact O-N 3.36Å; S188-S190 PolarHBondContact OG-OG 3.31Å; S188-G191 PolarHBondContact O-N 3.34Å; S188-G191 PolarHBondContact OG-N 3.48Å; S188-G191 VanDerWaalsContact OG-N 3.1Å; S188-V192 PolarHBondContact O-N 3.21Å; S188-T219 WeakPolarHBondContact CA-OG1 3.4Å
189	P	95.5	Very high	95.4	Very high	50 Å²	50	30.7 Å²	30.7	33%	0.325	17%	0.174	S	C	.	.	H	α-helix	trans	-57.4	-37	170.1	-23.6	33.7	0	0	0	112.6	G191 V192 S193 A218 R222	P189-G191 PolarHBondContact O-N 2.97Å; P189-V192 WeakPolarHBondContact O-CB 3.47Å; P189-V192 PolarHBondContact O-N 3.17Å; P189-S193 PolarHBondContact O-N 3.47Å; P189-S193 PolarHBondContact O-OG 3.18Å; P189-A218 HydrophobicContact CG-CB 3.87Å; P189-R222 HydrophobicContact CB-CB 4.08Å; P189-R222 HydrophobicContact CB-CG 4.23Å
190	S	92.7	Very high	95.9	Very high	49 Å²	49	30.2 Å²	30.2	34%	0.343	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-42.1	177.1	54.4	0	0	0	0	112.2	S188 V192 S193 L194	S188-S190 PolarHBondContact O-N 3.36Å; S188-S190 PolarHBondContact OG-OG 3.31Å; S190-V192 PolarHBondContact O-N 2.88Å; S190-S193 PolarHBondContact O-N 3.47Å; S190-L194 VanDerWaalsContact O-CG 3.26Å; S190-L194 WeakPolarHBondContact O-CG 3.42Å; S190-L194 PolarHBondContact O-N 3.32Å
191	G	95.2	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-36.8	175.5	0	0	0	0	0	112.3	S188 P189 T195	S188-G191 PolarHBondContact O-N 3.34Å; S188-G191 PolarHBondContact OG-N 3.48Å; S188-G191 VanDerWaalsContact OG-N 3.1Å; P189-G191 PolarHBondContact O-N 2.97Å; G191-T195 WeakPolarHBondContact O-CG2 3.3Å; G191-T195 PolarHBondContact O-N 3.44Å; G191-T195 PolarHBondContact O-OG1 2.95Å; G191-T195 VanDerWaalsContact O-OG1 3.07Å
192	V	97.5	Very high	96	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-51.2	173.6	-178.7	0	0	0	0	110.5	F186 S188 P189 S190 L194 T195 E196 L199 T219 R222 L223 L226	F186-V192 HydrophobicContact CB-CG2 3.83Å; F186-V192 HydrophobicContact CD1-CB 4.3Å; F186-V192 HydrophobicContact CD1-CG2 3.59Å; F186-V192 HydrophobicContact CE1-CG2 4.31Å; F186-V192 HydrophobicContact CG-CG2 3.72Å; S188-V192 PolarHBondContact O-N 3.21Å; P189-V192 WeakPolarHBondContact O-CB 3.47Å; P189-V192 PolarHBondContact O-N 3.17Å; S190-V192 PolarHBondContact O-N 2.88Å; V192-L194 PolarHBondContact O-N 3.19Å; V192-T195 CarbonylContact O-C 3.59Å; V192-T195 PolarHBondContact O-N 3.29Å; V192-T195 VanDerWaalsContact O-N 3.12Å; V192-T195 PolarHBondContact O-OG1 3.43Å; V192-E196 PolarHBondContact O-N 3.48Å; V192-L199 HydrophobicContact CG1-CD1 3.91Å; V192-T219 HydrophobicContact CG2-CG2 3.84Å; V192-R222 HydrophobicContact CB-CB 4.41Å; V192-R222 HydrophobicContact CB-CG 3.72Å; V192-R222 HydrophobicContact CG1-CB 4.44Å; V192-R222 HydrophobicContact CG1-CG 3.7Å; V192-R222 HydrophobicContact CG2-CG 4.4Å; V192-L223 HydrophobicContact CB-CD2 4.41Å; V192-L223 HydrophobicContact CG1-CD2 3.64Å; V192-L223 HydrophobicContact CG1-CG 4.06Å; V192-L223 HydrophobicContact CG2-CD1 4.49Å; V192-L223 HydrophobicContact CG2-CD2 3.87Å; V192-L223 HydrophobicContact CG2-CG 3.8Å; V192-L226 HydrophobicContact CG1-CD1 3.74Å
193	S	96.4	Very high	95.8	Very high	51 Å²	51	27 Å²	27	36%	0.357	15%	0.154	S	C	.	.	H	α-helix	trans	-59.9	-41.8	-179.5	-61.7	0	0	0	0	113	P189 S190 T195 E196 R222	P189-S193 PolarHBondContact O-N 3.47Å; P189-S193 PolarHBondContact O-OG 3.18Å; S190-S193 PolarHBondContact O-N 3.47Å; S193-T195 PolarHBondContact O-N 2.98Å; S193-E196 VanDerWaalsContact O-CB 3.28Å; S193-E196 WeakPolarHBondContact O-CB 3.28Å; S193-E196 PolarHBondContact O-N 2.73Å; S193-R222 PolarHBondContact OG-NE 3.27Å; S193-R222 PolarHBondContact OG-NH2 2.64Å
194	L	96.2	Very high	95.6	Very high	37 Å²	37	31.8 Å²	31.8	19%	0.194	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-37.3	177	-68.2	173.1	0	0	0	111.3	T37 L38 E162 L166 H167 S190 V192	T37-L194 VanDerWaalsContact O-CD1 3.3Å; T37-L194 WeakPolarHBondContact O-CD1 3.22Å; L38-L194 HydrophobicContact CD2-CD1 3.72Å; L38-L194 HydrophobicContact CG-CD1 4.16Å; E162-L194 HydrophobicContact CB-CD2 4.04Å; E162-L194 HydrophobicContact CG-CD1 4.35Å; E162-L194 HydrophobicContact CG-CD2 3.81Å; E162-L194 WeakPolarHBondContact OE2-CD2 3.47Å; L166-L194 HydrophobicContact CD2-CB 3.86Å; L166-L194 HydrophobicContact CD2-CD1 4.28Å; H167-L194 PolarHBondContact CE1-O 3.32Å; H167-L194 PolarHBondContact NE2-O 2.87Å; S190-L194 VanDerWaalsContact O-CG 3.26Å; S190-L194 WeakPolarHBondContact O-CG 3.42Å; S190-L194 PolarHBondContact O-N 3.32Å; V192-L194 PolarHBondContact O-N 3.19Å
195	T	96.6	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	6.1	-179.3	64.5	0	0	0	0	114.5	L6 L166 L170 F186 G191 V192 S193 N197 I198 L199	L6-T195 HydrophobicContact CD2-CG2 3.75Å; L166-T195 HydrophobicContact CD1-CG2 4.26Å; L166-T195 HydrophobicContact CD2-CG2 3.94Å; L166-T195 HydrophobicContact CG-CG2 4.2Å; L170-T195 HydrophobicContact CD2-CG2 3.62Å; F186-T195 HydrophobicContact CE1-CG2 4.44Å; F186-T195 WeakPolarHBondContact CE1-OG1 3.47Å; G191-T195 WeakPolarHBondContact O-CG2 3.3Å; G191-T195 PolarHBondContact O-N 3.44Å; G191-T195 PolarHBondContact O-OG1 2.95Å; G191-T195 VanDerWaalsContact O-OG1 3.07Å; V192-T195 CarbonylContact O-C 3.59Å; V192-T195 PolarHBondContact O-N 3.29Å; V192-T195 VanDerWaalsContact O-N 3.12Å; V192-T195 PolarHBondContact O-OG1 3.43Å; S193-T195 PolarHBondContact O-N 2.98Å; T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact O-N 3.16Å; T195-I198 PolarHBondContact O-N 3.07Å; T195-L199 WeakPolarHBondContact O-CG 3.47Å; T195-L199 PolarHBondContact O-N 2.8Å
196	E	97	Very high	95.1	Very high	63 Å²	63	41.6 Å²	41.6	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-53.1	-46.8	-171	173.3	171.9	165	0	0	112.9	V192 S193 I198 L199 L200 R222 L226	V192-E196 PolarHBondContact O-N 3.48Å; S193-E196 VanDerWaalsContact O-CB 3.28Å; S193-E196 WeakPolarHBondContact O-CB 3.28Å; S193-E196 PolarHBondContact O-N 2.73Å; E196-I198 VanDerWaalsContact C-N 3.32Å; E196-I198 PolarHBondContact O-N 3.3Å; E196-L199 WeakPolarHBondContact O-CB 3.49Å; E196-L199 PolarHBondContact O-N 2.81Å; E196-L199 VanDerWaalsContact O-N 3.15Å; E196-L200 HydrophobicContact CG-CD1 3.85Å; E196-L200 HydrophobicContact CG-CG 4.33Å; E196-L200 WeakPolarHBondContact O-CG 3.35Å; E196-L200 PolarHBondContact O-N 3.23Å; E196-R222 IonicContact OE2-CZ 2.87Å; E196-R222 IonicContact OE2-NH2 3.4Å; E196-R222 PolarHBondContact OE2-NH2 3.44Å; E196-L226 HydrophobicContact CB-CD1 4.18Å; E196-L226 VanDerWaalsContact CD-CD2 3.44Å; E196-L226 HydrophobicContact CG-CD1 3.88Å; E196-L226 HydrophobicContact CG-CD2 3.75Å; E196-L226 HydrophobicContact CG-CG 4.48Å; E196-L226 WeakPolarHBondContact OE1-CD2 3.22Å
197	N	96	Very high	94.7	Very high	93 Å²	93	43.9 Å²	43.9	50%	0.497	24%	0.235	S	C	.	.	H	α-helix	trans	-57.1	-46.7	178.9	-172.8	31.3	0	0	0	111.2	T195 L199 L200 T201	T195-N197 VanDerWaalsContact C-N 3.32Å; T195-N197 PolarHBondContact O-N 3.16Å; N197-L199 PolarHBondContact O-N 2.71Å; N197-L200 PolarHBondContact O-N 2.93Å; N197-T201 WeakPolarHBondContact O-CB 3.4Å; N197-T201 WeakPolarHBondContact O-CG2 3.49Å; N197-T201 PolarHBondContact O-N 2.89Å; N197-T201 PolarHBondContact O-OG1 3.43Å; N197-T201 WeakPolarHBondContact OD1-CG2 3.33Å
198	I	95	Very high	94.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-40.3	178.2	-64.4	169.3	0	0	0	110.9	H167 L170 R171 L174 T195 E196 L200 E202 I203	H167-I198 HydrophobicContact CB-CD1 4.14Å; H167-I198 WeakPolarHBondContact ND1-CD1 3.26Å; L170-I198 HydrophobicContact CB-CD1 4.23Å; L170-I198 HydrophobicContact CD2-CB 4.22Å; L170-I198 HydrophobicContact CD2-CD1 3.91Å; L170-I198 HydrophobicContact CD2-CG2 3.86Å; L170-I198 HydrophobicContact CG-CD1 4.27Å; L170-I198 HydrophobicContact CG-CG2 4.11Å; R171-I198 HydrophobicContact CG-CD1 3.99Å; R171-I198 HydrophobicContact CG-CG1 4.28Å; L174-I198 HydrophobicContact CD1-CG2 3.64Å; T195-I198 PolarHBondContact O-N 3.07Å; E196-I198 VanDerWaalsContact C-N 3.32Å; E196-I198 PolarHBondContact O-N 3.3Å; I198-L200 VanDerWaalsContact C-N 3.3Å; I198-L200 PolarHBondContact O-N 2.84Å; I198-E202 HydrophobicContact CG2-CB 4.14Å; I198-E202 HydrophobicContact CG2-CG 4Å; I198-E202 WeakPolarHBondContact O-CA 3.48Å; I198-E202 VanDerWaalsContact O-CB 3.24Å; I198-E202 WeakPolarHBondContact O-CB 3.22Å; I198-E202 PolarHBondContact O-N 3.06Å; I198-I203 PolarHBondContact O-N 3.23Å
199	L	96.2	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-61	-40.7	177	-69.5	174.4	0	0	0	111.9	F186 V192 T195 E196 N197 I203 K204 L223 L226 L228	F186-L199 HydrophobicContact CE1-CD1 4.45Å; F186-L199 HydrophobicContact CE2-CD2 4.22Å; F186-L199 HydrophobicContact CZ-CD1 4.03Å; F186-L199 HydrophobicContact CZ-CD2 3.88Å; F186-L199 HydrophobicContact CZ-CG 4.36Å; V192-L199 HydrophobicContact CG1-CD1 3.91Å; T195-L199 WeakPolarHBondContact O-CG 3.47Å; T195-L199 PolarHBondContact O-N 2.8Å; E196-L199 WeakPolarHBondContact O-CB 3.49Å; E196-L199 PolarHBondContact O-N 2.81Å; E196-L199 VanDerWaalsContact O-N 3.15Å; N197-L199 PolarHBondContact O-N 2.71Å; L199-I203 HydrophobicContact CD2-CB 4.41Å; L199-I203 HydrophobicContact CD2-CG1 3.97Å; L199-I203 WeakPolarHBondContact O-CB 3.18Å; L199-I203 PolarHBondContact O-N 3.27Å; L199-K204 WeakPolarHBondContact O-CB 3.43Å; L199-K204 PolarHBondContact O-N 3.27Å; L199-L223 HydrophobicContact CD1-CD2 4.1Å; L199-L226 HydrophobicContact CD1-CD1 4.03Å; L199-L228 HydrophobicContact CB-CD1 3.9Å; L199-L228 HydrophobicContact CD1-CD1 3.91Å; L199-L228 HydrophobicContact CD2-CD1 4.35Å; L199-L228 HydrophobicContact CG-CD1 4.28Å
200	L	96.3	Very high	94.4	Very high	63 Å²	63	51 Å²	51	33%	0.33	27%	0.274	S	S	.	.	I	π-helix	trans	-80.7	-33.4	-177.8	-67.2	179.5	0	0	0	113.4	E196 N197 I198 K204 P205 L226	E196-L200 HydrophobicContact CG-CD1 3.85Å; E196-L200 HydrophobicContact CG-CG 4.33Å; E196-L200 WeakPolarHBondContact O-CG 3.35Å; E196-L200 PolarHBondContact O-N 3.23Å; N197-L200 PolarHBondContact O-N 2.93Å; I198-L200 VanDerWaalsContact C-N 3.3Å; I198-L200 PolarHBondContact O-N 2.84Å; L200-K204 HydrophobicContact CD2-CD 4.01Å; L200-P205 WeakPolarHBondContact O-CD 3.28Å; L200-L226 HydrophobicContact CD2-CB 4.23Å
201	T	94.3	Very high	94.7	Very high	56 Å²	56	51.7 Å²	51.7	34%	0.344	27%	0.271	S	S	.	.	I	π-helix	trans	-92.9	-30.3	-178.1	67.2	0	0	0	0	113.6	N197 P205 H206	N197-T201 WeakPolarHBondContact O-CB 3.4Å; N197-T201 WeakPolarHBondContact O-CG2 3.49Å; N197-T201 PolarHBondContact O-N 2.89Å; N197-T201 PolarHBondContact O-OG1 3.43Å; N197-T201 WeakPolarHBondContact OD1-CG2 3.33Å; T201-P205 WeakPolarHBondContact O-CG 3.47Å; T201-H206 PolarHBondContact O-CD2 3.41Å
202	E	91.8	Very high	94.8	Very high	43 Å²	43	51.9 Å²	51.9	20%	0.201	27%	0.272	C	S	.	.	I	π-helix	trans	-108.9	-45.9	-174.5	-57.2	-57.8	148.8	0	0	113.2	I198 H206 R207	I198-E202 HydrophobicContact CG2-CB 4.14Å; I198-E202 HydrophobicContact CG2-CG 4Å; I198-E202 WeakPolarHBondContact O-CA 3.48Å; I198-E202 VanDerWaalsContact O-CB 3.24Å; I198-E202 WeakPolarHBondContact O-CB 3.22Å; I198-E202 PolarHBondContact O-N 3.06Å; E202-H206 WeakPolarHBondContact O-CB 3.49Å; E202-H206 PolarHBondContact O-N 3.18Å; E202-R207 PolarHBondContact O-N 2.91Å; E202-R207 IonicContact OE2-NH1 2.68Å; E202-R207 PolarHBondContact OE2-NH1 3.31Å
203	I	92.8	Very high	94.9	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.272	C	S	.	.	I	π-helix	trans	-80.4	-57	-173	-58.5	-62.3	0	0	0	110.8	L174 L184 I198 L199 R207 I210 L212	L174-I203 HydrophobicContact CD1-CD1 3.64Å; L174-I203 HydrophobicContact CD1-CG1 4.27Å; L174-I203 HydrophobicContact CD2-CD1 3.5Å; L174-I203 HydrophobicContact CG-CD1 4.2Å; L184-I203 HydrophobicContact CD1-CD1 4.05Å; L184-I203 HydrophobicContact CD1-CG1 4.33Å; I198-I203 PolarHBondContact O-N 3.23Å; L199-I203 HydrophobicContact CD2-CB 4.41Å; L199-I203 HydrophobicContact CD2-CG1 3.97Å; L199-I203 WeakPolarHBondContact O-CB 3.18Å; L199-I203 PolarHBondContact O-N 3.27Å; I203-R207 HydrophobicContact CD1-CB 4.38Å; I203-R207 CarbonylContact O-C 3.46Å; I203-R207 WeakPolarHBondContact O-CA 2.82Å; I203-R207 PolarHBondContact O-N 3.48Å; I203-I210 HydrophobicContact CD1-CD1 3.78Å; I203-L212 HydrophobicContact CG2-CD2 4.49Å
204	K	92.6	Very high	95	Very high	100 Å²	100	49.5 Å²	49.5	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-48.4	-173.7	-170.6	174.5	-172.6	173.6	0	113.6	L199 L200 L226 L228	L199-K204 WeakPolarHBondContact O-CB 3.43Å; L199-K204 PolarHBondContact O-N 3.27Å; L200-K204 HydrophobicContact CD2-CD 4.01Å; K204-L226 PolarHBondContact NZ-O 2.93Å; K204-L228 HydrophobicContact CB-CD2 3.87Å; K204-L228 HydrophobicContact CD-CD2 4.21Å; K204-L228 HydrophobicContact CG-CD2 4.17Å
205	P	93.4	Very high	95	Very high	71 Å²	71	48.6 Å²	48.6	46%	0.461	25%	0.25	S	S	.	.	H	α-helix	trans	-83.3	-36.9	-179.9	29.6	-35	0	0	0	114.1	L200 T201	L200-P205 WeakPolarHBondContact O-CD 3.28Å; T201-P205 WeakPolarHBondContact O-CG 3.47Å
206	H	91.4	Very high	95	Very high	134 Å²	134	49.9 Å²	49.9	62%	0.62	26%	0.264	S	S	*	.	H	α-helix	trans	-109.7	-21.4	-166.5	-55.6	-56	0	0	0	114.2	T201 E202 P208	T201-H206 PolarHBondContact O-CD2 3.41Å; E202-H206 WeakPolarHBondContact O-CB 3.49Å; E202-H206 PolarHBondContact O-N 3.18Å; H206-P208 VanDerWaalsContact C-CD 3.46Å
207	R	91.3	Very high	95	Very high	48 Å²	48	57.2 Å²	57.2	18%	0.181	29%	0.289	C	S	.	.			trans	-135.4	50.8	-176.4	-54.4	-177.9	-179.6	74.9	-1.4	112.8	L174 C175 E202 I203 N209 I210	L174-R207 PolarHBondContact O-NE 2.95Å; L174-R207 PolarHBondContact O-NH2 3.4Å; C175-R207 PolarHBondContact SG-NH2 3.07Å; E202-R207 PolarHBondContact O-N 2.91Å; E202-R207 IonicContact OE2-NH1 2.68Å; E202-R207 PolarHBondContact OE2-NH1 3.31Å; I203-R207 HydrophobicContact CD1-CB 4.38Å; I203-R207 CarbonylContact O-C 3.46Å; I203-R207 WeakPolarHBondContact O-CA 2.82Å; I203-R207 PolarHBondContact O-N 3.48Å; R207-N209 PolarHBondContact O-N 3.31Å; R207-I210 HydrophobicContact CB-CD1 3.63Å; R207-I210 HydrophobicContact CB-CG1 3.93Å; R207-I210 HydrophobicContact CG-CD1 4.24Å; R207-I210 WeakPolarHBondContact O-CB 3.33Å; R207-I210 PolarHBondContact O-N 3.01Å
208	P	90.9	Very high	95	Very high	93 Å²	93	55.9 Å²	55.9	60%	0.604	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16	-176	28.8	-37.3	0	0	0	114	H206 I210	H206-P208 VanDerWaalsContact C-CD 3.46Å; P208-I210 VanDerWaalsContact C-N 3.33Å
209	N	93.1	Very high	95.1	Very high	149 Å²	149	56.1 Å²	56.1	80%	0.797	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.1	177.8	-65.7	-27.9	0	0	0	113.5	R207 K211	R207-N209 PolarHBondContact O-N 3.31Å; N209-K211 PolarHBondContact O-N 3.17Å
210	I	95.7	Very high	95.2	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.082	29%	0.294	C	S	.	.	S	Bend	trans	-68.1	121.9	174	-68.3	-176.1	0	0	0	108.8	L174 I180 P181 L184 I203 R207 P208 L212	L174-I210 HydrophobicContact CD2-CD1 3.72Å; I180-I210 HydrophobicContact CG2-CD1 4.1Å; P181-I210 WeakPolarHBondContact O-CD1 3.41Å; P181-I210 WeakPolarHBondContact O-CG1 3.37Å; L184-I210 HydrophobicContact CD1-CG2 4.23Å; L184-I210 HydrophobicContact CG-CG2 3.76Å; I203-I210 HydrophobicContact CD1-CD1 3.78Å; R207-I210 HydrophobicContact CB-CD1 3.63Å; R207-I210 HydrophobicContact CB-CG1 3.93Å; R207-I210 HydrophobicContact CG-CD1 4.24Å; R207-I210 WeakPolarHBondContact O-CB 3.33Å; R207-I210 PolarHBondContact O-N 3.01Å; P208-I210 VanDerWaalsContact C-N 3.33Å; I210-L212 HydrophobicContact CG2-CD2 4.32Å; I210-L212 PolarHBondContact O-N 3.12Å
211	K	97.9	Very high	95.3	Very high	64 Å²	64	56.8 Å²	56.8	28%	0.278	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.8	-176.3	-63.8	172.9	-175.2	155.7	0	110.1	E182 C183 L184 N209 S231 L249	E182-K211 PolarHBondContact O-N 2.95Å; C183-K211 CarbonylContact C-O 3.04Å; C183-K211 VanDerWaalsContact CA-O 3.22Å; C183-K211 WeakPolarHBondContact CA-O 3.48Å; C183-K211 HydrophobicContact CB-CB 4.3Å; C183-K211 PolarHBondContact SG-O 2.87Å; L184-K211 PolarHBondContact N-O 3.01Å; N209-K211 PolarHBondContact O-N 3.17Å; K211-S231 WeakPolarHBondContact CA-OG 3.5Å; K211-S231 WeakPolarHBondContact CB-OG 3.2Å; K211-L249 HydrophobicContact CB-CD1 4.26Å; K211-L249 HydrophobicContact CD-CB 3.97Å; K211-L249 HydrophobicContact CD-CD1 4.25Å; K211-L249 HydrophobicContact CD-CD2 4.39Å; K211-L249 HydrophobicContact CD-CG 4.44Å; K211-L249 PolarHBondContact NZ-O 3.47Å
212	L	98.4	Very high	95.5	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.9	178.5	-55.1	-178.1	0	0	0	109.9	L184 F186 I203 I210 L223 L228 V230 S231	L184-L212 HydrophobicContact CB-CD2 3.95Å; L184-L212 HydrophobicContact CD1-CD2 4.11Å; L184-L212 HydrophobicContact CG-CD2 4.3Å; F186-L212 HydrophobicContact CE2-CD2 4.36Å; I203-L212 HydrophobicContact CG2-CD2 4.49Å; I210-L212 HydrophobicContact CG2-CD2 4.32Å; I210-L212 PolarHBondContact O-N 3.12Å; L212-L223 HydrophobicContact CB-CD1 4.39Å; L212-L223 HydrophobicContact CD1-CD2 4.26Å; L212-L228 HydrophobicContact CD1-CB 3.76Å; L212-L228 HydrophobicContact CD1-CD1 3.95Å; L212-L228 HydrophobicContact CD1-CD2 4.32Å; L212-L228 HydrophobicContact CD1-CG 4.23Å; L212-V230 CarbonylContact O-C 3.57Å; L212-S231 PolarHBondContact N-OG 3.41Å; L212-S231 PolarHBondContact O-N 3.24Å
213	V	98.5	Very high	95.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.9	-179.8	178.1	0	0	0	0	109.7	C183 L184 V185 F186 A232 L242 L246 L249	C183-V213 VanDerWaalsContact SG-CG2 3.52Å; L184-V213 PolarHBondContact O-N 3.34Å; V185-V213 CarbonylContact C-O 3.58Å; V185-V213 WeakPolarHBondContact CA-O 3.43Å; V185-V213 HydrophobicContact CG1-CB 4.37Å; V185-V213 HydrophobicContact CG1-CG1 4.25Å; V185-V213 HydrophobicContact CG2-CB 4.16Å; F186-V213 PolarHBondContact N-O 3.32Å; V213-A232 WeakPolarHBondContact CA-O 3.39Å; V213-A232 HydrophobicContact CG1-CB 4.4Å; V213-A232 HydrophobicContact CG2-CB 4.16Å; V213-L242 HydrophobicContact CG1-CD1 3.91Å; V213-L246 HydrophobicContact CG2-CD2 4.07Å; V213-L249 HydrophobicContact CG2-CD1 3.48Å; V213-L249 VanDerWaalsContact CG2-CD1 3.48Å
214	A	98.5	Very high	96.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.4	179.2	0	0	0	0	0	111.5	G216 T219 A220 L223 V230 A232 V233 A234	A214-G216 PolarHBondContact O-N 2.93Å; A214-G216 VanDerWaalsContact O-N 3.13Å; A214-T219 HydrophobicContact CB-CG2 4.06Å; A214-A220 HydrophobicContact CB-CB 3.65Å; A214-L223 HydrophobicContact CB-CD1 4.19Å; A214-V230 HydrophobicContact CB-CG1 4.24Å; A214-A232 PolarHBondContact N-O 3.15Å; A214-V233 HydrophobicContact CB-CG2 4.43Å; A214-V233 CarbonylContact O-C 3.55Å; A214-V233 VanDerWaalsContact O-CA 3.31Å; A214-V233 WeakPolarHBondContact O-CA 3.47Å; A214-A234 PolarHBondContact O-N 3.41Å
215	M	97.6	Very high	96.4	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.089	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	91.4	165.2	-60.6	-63.3	-63.7	0	0	109	Y21 V185 F186 F187 T219 A234 L242	Y21-M215 HydrophobicContact CE1-CE 3.75Å; V185-M215 HydrophobicContact CG1-CG 4.11Å; V185-M215 HydrophobicContact CG1-SD 4.3Å; F186-M215 PolarHBondContact O-N 2.98Å; F187-M215 HydrophobicContact CB-CG 4.44Å; F187-M215 HydrophobicContact CD1-CB 4.37Å; F187-M215 HydrophobicContact CD1-CG 3.67Å; F187-M215 HydrophobicContact CD2-CG 4.15Å; F187-M215 HydrophobicContact CE1-CE 4.35Å; F187-M215 HydrophobicContact CE1-CG 3.85Å; F187-M215 HydrophobicContact CE1-SD 4.38Å; F187-M215 HydrophobicContact CE2-CG 4.31Å; F187-M215 HydrophobicContact CG-CB 4.49Å; F187-M215 HydrophobicContact CG-CG 3.84Å; F187-M215 HydrophobicContact CZ-CG 4.18Å; M215-T219 PolarHBondContact O-OG1 3.42Å; M215-A234 HydrophobicContact CE-CB 3.85Å; M215-A234 HydrophobicContact SD-CB 3.47Å; M215-A234 WeakPolarHBondContact SD-CB 3.46Å; M215-L242 HydrophobicContact CE-CB 4.33Å; M215-L242 HydrophobicContact SD-CB 3.94Å; M215-L242 HydrophobicContact SD-CD1 3.89Å; M215-L242 HydrophobicContact SD-CD2 4.32Å; M215-L242 HydrophobicContact SD-CG 4.25Å
216	G	96.1	Very high	96.5	Very high	27 Å²	27	59 Å²	59	28%	0.278	30%	0.297	S	S	.	.	S	Bend	trans	89.6	167.4	176.1	0	0	0	0	0	115.2	A214 T219 A220	A214-G216 PolarHBondContact O-N 2.93Å; A214-G216 VanDerWaalsContact O-N 3.13Å; G216-T219 PolarHBondContact O-N 2.94Å; G216-A220 PolarHBondContact O-N 3.3Å
217	R	96.6	Very high	96.8	Very high	218 Å²	218	55 Å²	55	82%	0.823	29%	0.291	S	S	*	.	H	α-helix	trans	-66.3	-42.3	-168.8	-66.1	-174.2	179.6	-154.1	0.1	113.7	T219 A220 T221	R217-T219 VanDerWaalsContact C-N 3.31Å; R217-T219 PolarHBondContact O-N 2.53Å; R217-A220 WeakPolarHBondContact O-CB 3.49Å; R217-A220 PolarHBondContact O-N 3.25Å; R217-A220 VanDerWaalsContact O-N 3.15Å; R217-T221 PolarHBondContact O-N 3.37Å; R217-T221 PolarHBondContact O-OG1 2.78Å; R217-T221 VanDerWaalsContact O-OG1 3.12Å
218	A	96.4	Very high	97.1	Very high	65 Å²	65	53.3 Å²	53.3	54%	0.537	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-42.8	-178.9	0	0	0	0	0	111.6	P189 T221 R222	P189-A218 HydrophobicContact CG-CB 3.87Å; A218-T221 PolarHBondContact O-N 2.91Å; A218-R222 PolarHBondContact O-N 2.85Å
219	T	97.8	Very high	97.3	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-41.7	176	-47.6	0	0	0	0	111.5	F186 S188 V192 A214 M215 G216 R217 R222 L223	F186-T219 HydrophobicContact CB-CG2 3.56Å; F186-T219 WeakPolarHBondContact O-CG2 3.48Å; S188-T219 WeakPolarHBondContact CA-OG1 3.4Å; V192-T219 HydrophobicContact CG2-CG2 3.84Å; A214-T219 HydrophobicContact CB-CG2 4.06Å; M215-T219 PolarHBondContact O-OG1 3.42Å; G216-T219 PolarHBondContact O-N 2.94Å; R217-T219 VanDerWaalsContact C-N 3.31Å; R217-T219 PolarHBondContact O-N 2.53Å; T219-R222 PolarHBondContact O-N 3.3Å; T219-L223 PolarHBondContact O-N 2.75Å; T219-L223 VanDerWaalsContact O-N 3.1Å
220	A	98.4	Very high	97.6	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-41.9	176.7	0	0	0	0	0	112.1	A214 G216 R217 R222 L223 K224 V230 V233	A214-A220 HydrophobicContact CB-CB 3.65Å; G216-A220 PolarHBondContact O-N 3.3Å; R217-A220 WeakPolarHBondContact O-CB 3.49Å; R217-A220 PolarHBondContact O-N 3.25Å; R217-A220 VanDerWaalsContact O-N 3.15Å; A220-R222 VanDerWaalsContact C-N 3.34Å; A220-L223 PolarHBondContact O-N 2.91Å; A220-K224 WeakPolarHBondContact O-CG 3.24Å; A220-K224 PolarHBondContact O-N 3.46Å; A220-K224 VanDerWaalsContact O-N 3.09Å; A220-V230 HydrophobicContact CB-CG1 4.29Å; A220-V230 HydrophobicContact CB-CG2 4.47Å; A220-V233 HydrophobicContact CB-CG1 4.44Å; A220-V233 HydrophobicContact CB-CG2 3.68Å
221	T	98.4	Very high	97.7	Very high	73 Å²	73	50.4 Å²	50.4	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-47	174.5	-60.8	0	0	0	0	110.5	R217 A218 L223 K224 E225	R217-T221 PolarHBondContact O-N 3.37Å; R217-T221 PolarHBondContact O-OG1 2.78Å; R217-T221 VanDerWaalsContact O-OG1 3.12Å; A218-T221 PolarHBondContact O-N 2.91Å; T221-L223 VanDerWaalsContact C-N 3.34Å; T221-L223 PolarHBondContact O-N 3.4Å; T221-K224 WeakPolarHBondContact O-CB 3.46Å; T221-K224 PolarHBondContact O-N 2.98Å; T221-K224 VanDerWaalsContact O-N 3.07Å; T221-E225 WeakPolarHBondContact O-CG 3.36Å; T221-E225 PolarHBondContact O-N 2.95Å
222	R	98.3	Very high	97.7	Very high	55 Å²	55	48 Å²	48	21%	0.208	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-40.5	179.5	-175.8	57.1	-176.5	149.7	5.3	113.1	P189 V192 S193 E196 A218 T219 A220 E225	P189-R222 HydrophobicContact CB-CB 4.08Å; P189-R222 HydrophobicContact CB-CG 4.23Å; V192-R222 HydrophobicContact CB-CB 4.41Å; V192-R222 HydrophobicContact CB-CG 3.72Å; V192-R222 HydrophobicContact CG1-CB 4.44Å; V192-R222 HydrophobicContact CG1-CG 3.7Å; V192-R222 HydrophobicContact CG2-CG 4.4Å; S193-R222 PolarHBondContact OG-NE 3.27Å; S193-R222 PolarHBondContact OG-NH2 2.64Å; E196-R222 IonicContact OE2-CZ 2.87Å; E196-R222 IonicContact OE2-NH2 3.4Å; E196-R222 PolarHBondContact OE2-NH2 3.44Å; A218-R222 PolarHBondContact O-N 2.85Å; T219-R222 PolarHBondContact O-N 3.3Å; A220-R222 VanDerWaalsContact C-N 3.34Å; R222-E225 VanDerWaalsContact CD-OE2 3.31Å; R222-E225 WeakPolarHBondContact CD-OE2 3.47Å; R222-E225 IonicContact NH1-OE2 2.64Å; R222-E225 PolarHBondContact NH1-OE2 2.9Å; R222-E225 VanDerWaalsContact NH1-OE2 3.14Å; R222-E225 PolarHBondContact O-N 3.05Å
223	L	98.5	Very high	97.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-42.4	173.8	-74.6	167	0	0	0	112.2	F186 V192 L199 L212 A214 T219 A220 T221 E225 L226 L228 V230	F186-L223 HydrophobicContact CD2-CD1 4.22Å; F186-L223 HydrophobicContact CD2-CD2 4.13Å; F186-L223 HydrophobicContact CE2-CD2 4.25Å; V192-L223 HydrophobicContact CB-CD2 4.41Å; V192-L223 HydrophobicContact CG1-CD2 3.64Å; V192-L223 HydrophobicContact CG1-CG 4.06Å; V192-L223 HydrophobicContact CG2-CD1 4.49Å; V192-L223 HydrophobicContact CG2-CD2 3.87Å; V192-L223 HydrophobicContact CG2-CG 3.8Å; L199-L223 HydrophobicContact CD1-CD2 4.1Å; L212-L223 HydrophobicContact CB-CD1 4.39Å; L212-L223 HydrophobicContact CD1-CD2 4.26Å; A214-L223 HydrophobicContact CB-CD1 4.19Å; T219-L223 PolarHBondContact O-N 2.75Å; T219-L223 VanDerWaalsContact O-N 3.1Å; A220-L223 PolarHBondContact O-N 2.91Å; T221-L223 VanDerWaalsContact C-N 3.34Å; T221-L223 PolarHBondContact O-N 3.4Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-E225 PolarHBondContact O-N 3.06Å; L223-L226 WeakPolarHBondContact O-CB 3.45Å; L223-L226 PolarHBondContact O-N 3.42Å; L223-L228 HydrophobicContact CD2-CD1 3.96Å; L223-L228 WeakPolarHBondContact O-CB 3.24Å; L223-L228 PolarHBondContact O-N 3.38Å; L223-V230 HydrophobicContact CB-CG2 3.62Å; L223-V230 HydrophobicContact CD1-CG2 4Å; L223-V230 HydrophobicContact CG-CG2 4.48Å
224	K	98.1	Very high	97.6	Very high	131 Å²	131	51 Å²	51	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-66	-34.9	179.2	-69.9	175.6	-174.7	-174.7	0	112.7	A220 T221 L226 G227 V230	A220-K224 WeakPolarHBondContact O-CG 3.24Å; A220-K224 PolarHBondContact O-N 3.46Å; A220-K224 VanDerWaalsContact O-N 3.09Å; T221-K224 WeakPolarHBondContact O-CB 3.46Å; T221-K224 PolarHBondContact O-N 2.98Å; T221-K224 VanDerWaalsContact O-N 3.07Å; K224-L226 PolarHBondContact O-N 3.35Å; K224-G227 WeakPolarHBondContact O-CA 3.45Å; K224-G227 PolarHBondContact O-N 2.97Å; K224-V230 HydrophobicContact CG-CG2 3.92Å
225	E	98	Very high	97.4	Very high	121 Å²	121	56.1 Å²	56.1	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-59.5	-30.3	174.2	-72.3	167.3	-175.9	0	0	112.4	T221 R222 L223 G227	T221-E225 WeakPolarHBondContact O-CG 3.36Å; T221-E225 PolarHBondContact O-N 2.95Å; R222-E225 VanDerWaalsContact CD-OE2 3.31Å; R222-E225 WeakPolarHBondContact CD-OE2 3.47Å; R222-E225 IonicContact NH1-OE2 2.64Å; R222-E225 PolarHBondContact NH1-OE2 2.9Å; R222-E225 VanDerWaalsContact NH1-OE2 3.14Å; R222-E225 PolarHBondContact O-N 3.05Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-E225 PolarHBondContact O-N 3.06Å; E225-G227 PolarHBondContact O-N 3.07Å
226	L	97.2	Very high	97.3	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.079	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2	173.3	-56.4	-176.2	0	0	0	113.1	V192 E196 L199 L200 K204 L223 K224 L228	V192-L226 HydrophobicContact CG1-CD1 3.74Å; E196-L226 HydrophobicContact CB-CD1 4.18Å; E196-L226 VanDerWaalsContact CD-CD2 3.44Å; E196-L226 HydrophobicContact CG-CD1 3.88Å; E196-L226 HydrophobicContact CG-CD2 3.75Å; E196-L226 HydrophobicContact CG-CG 4.48Å; E196-L226 WeakPolarHBondContact OE1-CD2 3.22Å; L199-L226 HydrophobicContact CD1-CD1 4.03Å; L200-L226 HydrophobicContact CD2-CB 4.23Å; K204-L226 PolarHBondContact NZ-O 2.93Å; L223-L226 WeakPolarHBondContact O-CB 3.45Å; L223-L226 PolarHBondContact O-N 3.42Å; K224-L226 PolarHBondContact O-N 3.35Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 HydrophobicContact CB-CD1 3.89Å; L226-L228 HydrophobicContact CB-CG 4.04Å; L226-L228 HydrophobicContact CD1-CD1 4.13Å
227	G	96.3	Very high	97	Very high	48 Å²	48	60.8 Å²	60.8	50%	0.495	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	31.8	-174.3	0	0	0	0	0	112.9	K224 E225	K224-G227 WeakPolarHBondContact O-CA 3.45Å; K224-G227 PolarHBondContact O-N 2.97Å; E225-G227 PolarHBondContact O-N 3.07Å
228	L	97.4	Very high	96.9	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.068	34%	0.337	C	S	.	.			trans	-99	143.8	176.6	-59.6	165.3	0	0	0	111	L199 K204 L212 L223 L226 V230	L199-L228 HydrophobicContact CB-CD1 3.9Å; L199-L228 HydrophobicContact CD1-CD1 3.91Å; L199-L228 HydrophobicContact CD2-CD1 4.35Å; L199-L228 HydrophobicContact CG-CD1 4.28Å; K204-L228 HydrophobicContact CB-CD2 3.87Å; K204-L228 HydrophobicContact CD-CD2 4.21Å; K204-L228 HydrophobicContact CG-CD2 4.17Å; L212-L228 HydrophobicContact CD1-CB 3.76Å; L212-L228 HydrophobicContact CD1-CD1 3.95Å; L212-L228 HydrophobicContact CD1-CD2 4.32Å; L212-L228 HydrophobicContact CD1-CG 4.23Å; L223-L228 HydrophobicContact CD2-CD1 3.96Å; L223-L228 WeakPolarHBondContact O-CB 3.24Å; L223-L228 PolarHBondContact O-N 3.38Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 HydrophobicContact CB-CD1 3.89Å; L226-L228 HydrophobicContact CB-CG 4.04Å; L226-L228 HydrophobicContact CD1-CD1 4.13Å; L228-V230 PolarHBondContact O-N 3.48Å
229	T	96.7	Very high	96.8	Very high	121 Å²	121	54.6 Å²	54.6	74%	0.742	32%	0.319	S	S	*	.			trans	-80.1	117.9	175.6	-59	0	0	0	0	110.4
230	V	98	Very high	96.8	Very high	27 Å²	27	59.4 Å²	59.4	16%	0.164	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	113.8	173.4	-179	0	0	0	0	109.1	L212 A214 A220 L223 K224 L228 A232 V233	L212-V230 CarbonylContact O-C 3.57Å; A214-V230 HydrophobicContact CB-CG1 4.24Å; A220-V230 HydrophobicContact CB-CG1 4.29Å; A220-V230 HydrophobicContact CB-CG2 4.47Å; L223-V230 HydrophobicContact CB-CG2 3.62Å; L223-V230 HydrophobicContact CD1-CG2 4Å; L223-V230 HydrophobicContact CG-CG2 4.48Å; K224-V230 HydrophobicContact CG-CG2 3.92Å; L228-V230 PolarHBondContact O-N 3.48Å; V230-A232 WeakPolarHBondContact CG1-O 3.34Å; V230-V233 HydrophobicContact CG1-CG2 3.86Å
231	S	98.2	Very high	96.8	Very high	49 Å²	49	60 Å²	60	34%	0.343	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-34.6	-177.1	-50.6	0	0	0	0	112.9	K211 L212	K211-S231 WeakPolarHBondContact CA-OG 3.5Å; K211-S231 WeakPolarHBondContact CB-OG 3.2Å; L212-S231 PolarHBondContact N-OG 3.41Å; L212-S231 PolarHBondContact O-N 3.24Å
232	A	98.1	Very high	96.8	Very high	14 Å²	14	56.5 Å²	56.5	12%	0.116	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.1	174.3	0	0	0	0	0	112	V213 A214 V230 A245 L249	V213-A232 WeakPolarHBondContact CA-O 3.39Å; V213-A232 HydrophobicContact CG1-CB 4.4Å; V213-A232 HydrophobicContact CG2-CB 4.16Å; A214-A232 PolarHBondContact N-O 3.15Å; V230-A232 WeakPolarHBondContact CG1-O 3.34Å; A232-A245 HydrophobicContact CB-CB 4.12Å; A232-L249 HydrophobicContact CB-CD1 3.95Å; A232-L249 HydrophobicContact CB-CD2 4.33Å; A232-L249 HydrophobicContact CB-CG 4.24Å
233	V	98.3	Very high	96.7	Very high	63 Å²	63	54.8 Å²	54.8	38%	0.382	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.7	172.4	-173.8	0	0	0	0	108.4	A214 A220 V230 S235	A214-V233 HydrophobicContact CB-CG2 4.43Å; A214-V233 CarbonylContact O-C 3.55Å; A214-V233 VanDerWaalsContact O-CA 3.31Å; A214-V233 WeakPolarHBondContact O-CA 3.47Å; A220-V233 HydrophobicContact CB-CG1 4.44Å; A220-V233 HydrophobicContact CB-CG2 3.68Å; V230-V233 HydrophobicContact CG1-CG2 3.86Å; V233-S235 PolarHBondContact O-N 2.86Å
234	A	97.7	Very high	96.7	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.033	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	134.9	175.8	0	0	0	0	0	110.4	A214 M215 S236	A214-A234 PolarHBondContact O-N 3.41Å; M215-A234 HydrophobicContact CE-CB 3.85Å; M215-A234 HydrophobicContact SD-CB 3.47Å; M215-A234 WeakPolarHBondContact SD-CB 3.46Å; A234-S236 VanDerWaalsContact C-N 3.27Å; A234-S236 PolarHBondContact O-N 3Å
235	S	94.4	Very high	96.7	Very high	109 Å²	109	52.4 Å²	52.4	76%	0.762	32%	0.315	S	S	*	.	S	Bend	trans	-70.9	-21.1	-175.4	55.1	0	0	0	0	114	V233 S241	V233-S235 PolarHBondContact O-N 2.86Å; S235-S241 PolarHBondContact OG-OG 3.49Å
236	S	94	Very high	96.7	Very high	34 Å²	34	46.6 Å²	46.6	24%	0.238	29%	0.288	C	S	.	.	S	Bend	trans	-152.2	165.6	177	88.4	0	0	0	0	110.3	A234 K238 S241	A234-S236 VanDerWaalsContact C-N 3.27Å; A234-S236 PolarHBondContact O-N 3Å; S236-K238 PolarHBondContact O-N 3.22Å; S236-K238 WeakPolarHBondContact OG-CB 3.34Å; S236-K238 WeakPolarHBondContact OG-CG 3.07Å; S236-K238 PolarHBondContact OG-N 2.95Å; S236-S241 WeakPolarHBondContact O-CB 3.2Å; S236-S241 PolarHBondContact OG-OG 2.78Å
237	P	90.7	Very high	96.7	Very high	109 Å²	109	51.7 Å²	51.7	71%	0.708	31%	0.309	S	S	*	.	S	Bend	trans	-78.6	27.7	177.3	36.6	-37.8	0	0	0	112.3	Y21	Y21-P237 PolarHBondContact OH-O 3.36Å
238	K	93.6	Very high	96.6	Very high	130 Å²	130	56.5 Å²	56.5	57%	0.565	32%	0.319	S	S	*	.	S	Bend	trans	-98.7	144.4	179.2	-63.9	-178.8	179.8	-178.3	0	110.4	S236 E240 S241 L242	S236-K238 PolarHBondContact O-N 3.22Å; S236-K238 WeakPolarHBondContact OG-CB 3.34Å; S236-K238 WeakPolarHBondContact OG-CG 3.07Å; S236-K238 PolarHBondContact OG-N 2.95Å; K238-E240 WeakPolarHBondContact CB-OE2 3.33Å; K238-E240 PolarHBondContact O-N 2.89Å; K238-S241 WeakPolarHBondContact O-CB 3.12Å; K238-S241 PolarHBondContact O-N 2.92Å; K238-L242 PolarHBondContact O-N 2.91Å
239	P	95.4	Very high	96.5	Very high	23 Å²	23	57 Å²	57	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-53.1	-37.6	176.4	-25.5	33.7	0	0	0	114.2	P20 Y21 I24 S241 L242 L243	P20-P239 HydrophobicContact CB-CG 3.93Å; P20-P239 HydrophobicContact CG-CG 4.31Å; Y21-P239 HydrophobicContact CD1-CB 3.99Å; Y21-P239 HydrophobicContact CD1-CG 4.2Å; Y21-P239 HydrophobicContact CD2-CG 4.43Å; Y21-P239 HydrophobicContact CE1-CB 4.2Å; Y21-P239 HydrophobicContact CE1-CG 4.13Å; Y21-P239 HydrophobicContact CE2-CG 4.32Å; Y21-P239 HydrophobicContact CG-CB 4.39Å; Y21-P239 HydrophobicContact CG-CG 4.38Å; I24-P239 HydrophobicContact CB-CB 4.41Å; I24-P239 HydrophobicContact CD1-CB 4.28Å; I24-P239 HydrophobicContact CG2-CB 3.72Å; P239-S241 VanDerWaalsContact C-N 3.3Å; P239-S241 PolarHBondContact O-N 3Å; P239-L242 PolarHBondContact O-N 3.48Å; P239-L243 PolarHBondContact O-N 3.46Å
240	E	97.4	Very high	95.9	Very high	105 Å²	105	59.3 Å²	59.3	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-34.1	178.9	-59.6	73.4	-161.1	0	0	112.2	I24 K238 L243 T244	I24-E240 HydrophobicContact CD1-CB 4.38Å; I24-E240 HydrophobicContact CD1-CG 3.83Å; K238-E240 WeakPolarHBondContact CB-OE2 3.33Å; K238-E240 PolarHBondContact O-N 2.89Å; E240-L243 PolarHBondContact O-N 3.29Å; E240-T244 WeakPolarHBondContact O-CB 3.39Å; E240-T244 PolarHBondContact O-N 3.24Å; E240-T244 PolarHBondContact O-OG1 2.78Å
241	S	97.5	Very high	95.8	Very high	16 Å²	16	60.9 Å²	60.9	11%	0.112	33%	0.329	C	S	.	.	H	α-helix	trans	-69	-38	176.5	-62.7	0	0	0	0	111.6	S235 S236 K238 P239 T244 A245	S235-S241 PolarHBondContact OG-OG 3.49Å; S236-S241 WeakPolarHBondContact O-CB 3.2Å; S236-S241 PolarHBondContact OG-OG 2.78Å; K238-S241 WeakPolarHBondContact O-CB 3.12Å; K238-S241 PolarHBondContact O-N 2.92Å; P239-S241 VanDerWaalsContact C-N 3.3Å; P239-S241 PolarHBondContact O-N 3Å; S241-T244 PolarHBondContact O-N 3.23Å; S241-A245 PolarHBondContact O-N 3.13Å; S241-A245 VanDerWaalsContact O-N 3.09Å
242	L	98.1	Very high	95.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-46.4	172.8	177.4	58.7	0	0	0	111.1	L5 Y21 L25 V185 F187 V213 M215 K238 P239 T244 A245 L246	L5-L242 HydrophobicContact CD2-CD2 3.99Å; Y21-L242 HydrophobicContact CD1-CB 4.15Å; Y21-L242 HydrophobicContact CD1-CD2 3.64Å; Y21-L242 HydrophobicContact CE1-CB 4.27Å; Y21-L242 HydrophobicContact CE1-CD2 4.31Å; Y21-L242 HydrophobicContact CG-CD2 4.47Å; L25-L242 HydrophobicContact CD1-CD2 4.02Å; V185-L242 HydrophobicContact CG1-CD1 3.6Å; V185-L242 HydrophobicContact CG1-CD2 4.02Å; V185-L242 HydrophobicContact CG1-CG 4.49Å; V185-L242 HydrophobicContact CG2-CD1 4.08Å; F187-L242 HydrophobicContact CZ-CD2 4.07Å; V213-L242 HydrophobicContact CG1-CD1 3.91Å; M215-L242 HydrophobicContact CE-CB 4.33Å; M215-L242 HydrophobicContact SD-CB 3.94Å; M215-L242 HydrophobicContact SD-CD1 3.89Å; M215-L242 HydrophobicContact SD-CD2 4.32Å; M215-L242 HydrophobicContact SD-CG 4.25Å; K238-L242 PolarHBondContact O-N 2.91Å; P239-L242 PolarHBondContact O-N 3.48Å; L242-T244 VanDerWaalsContact C-N 3.26Å; L242-T244 PolarHBondContact O-N 2.84Å; L242-A245 PolarHBondContact O-N 3.09Å; L242-L246 HydrophobicContact CD1-CD1 3.91Å; L242-L246 HydrophobicContact CD1-CG 3.95Å; L242-L246 HydrophobicContact CD2-CD1 4.43Å; L242-L246 HydrophobicContact CG-CD1 3.87Å; L242-L246 HydrophobicContact CG-CG 4.34Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 2.78Å
243	L	98.2	Very high	95.5	Very high	19 Å²	19	64.2 Å²	64.2	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-56.2	-43.5	177.1	176	64.6	0	0	0	111.6	I24 L25 S28 F30 P239 E240 L246 K247	I24-L243 HydrophobicContact CD1-CB 4.48Å; I24-L243 HydrophobicContact CD1-CD2 4.09Å; I24-L243 HydrophobicContact CG1-CD2 4.09Å; L25-L243 HydrophobicContact CD2-CB 4.15Å; L25-L243 HydrophobicContact CD2-CD1 3.82Å; S28-L243 VanDerWaalsContact CB-CD1 3.49Å; S28-L243 WeakPolarHBondContact OG-CD1 3.43Å; S28-L243 WeakPolarHBondContact OG-CD2 3.46Å; F30-L243 HydrophobicContact CD2-CD1 4.3Å; F30-L243 HydrophobicContact CE2-CD1 3.62Å; F30-L243 HydrophobicContact CZ-CD1 4.44Å; P239-L243 PolarHBondContact O-N 3.46Å; E240-L243 PolarHBondContact O-N 3.29Å; L243-L246 PolarHBondContact O-N 2.78Å; L243-K247 HydrophobicContact CD1-CD 4.4Å; L243-K247 HydrophobicContact CD1-CG 4.26Å; L243-K247 HydrophobicContact CG-CD 4.34Å; L243-K247 WeakPolarHBondContact O-CG 3.13Å; L243-K247 PolarHBondContact O-N 3.02Å
244	T	98	Very high	95.3	Very high	76 Å²	76	64.2 Å²	64.2	47%	0.466	34%	0.338	S	S	.	.	H	α-helix	trans	-60.9	-47.4	177.8	-57.7	0	0	0	0	111.1	E240 S241 L242 L246 K247 Q248	E240-T244 WeakPolarHBondContact O-CB 3.39Å; E240-T244 PolarHBondContact O-N 3.24Å; E240-T244 PolarHBondContact O-OG1 2.78Å; S241-T244 PolarHBondContact O-N 3.23Å; L242-T244 VanDerWaalsContact C-N 3.26Å; L242-T244 PolarHBondContact O-N 2.84Å; T244-L246 PolarHBondContact O-N 3.4Å; T244-K247 PolarHBondContact O-N 3.15Å; T244-Q248 WeakPolarHBondContact O-CG 3.44Å; T244-Q248 PolarHBondContact O-N 2.94Å
245	A	97.7	Very high	95.2	Very high	4 Å²	4	68 Å²	68	3%	0.033	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-42.7	177.1	0	0	0	0	0	112.1	A232 S241 L242 Q248 L249	A232-A245 HydrophobicContact CB-CB 4.12Å; S241-A245 PolarHBondContact O-N 3.13Å; S241-A245 VanDerWaalsContact O-N 3.09Å; L242-A245 PolarHBondContact O-N 3.09Å; A245-Q248 PolarHBondContact O-N 3.41Å; A245-L249 WeakPolarHBondContact O-CG 3.3Å
246	L	98.1	Very high	95.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-70.2	-33.8	179.3	-70.2	172.5	0	0	0	113.2	V3 L25 F30 C183 V185 V213 L242 L243 T244 Q248 L249	V3-L246 HydrophobicContact CG1-CD1 4.23Å; V3-L246 HydrophobicContact CG1-CD2 4.49Å; V3-L246 HydrophobicContact CG2-CD1 4.35Å; V3-L246 HydrophobicContact CG2-CD2 4.47Å; L25-L246 HydrophobicContact CD1-CD1 3.79Å; L25-L246 HydrophobicContact CD2-CD1 3.55Å; L25-L246 HydrophobicContact CG-CD1 4.33Å; F30-L246 HydrophobicContact CE1-CB 3.95Å; F30-L246 HydrophobicContact CZ-CB 3.88Å; C183-L246 HydrophobicContact CB-CD2 4.42Å; C183-L246 VanDerWaalsContact SG-CD2 3.52Å; V185-L246 HydrophobicContact CG2-CD2 4.31Å; V213-L246 HydrophobicContact CG2-CD2 4.07Å; L242-L246 HydrophobicContact CD1-CD1 3.91Å; L242-L246 HydrophobicContact CD1-CG 3.95Å; L242-L246 HydrophobicContact CD2-CD1 4.43Å; L242-L246 HydrophobicContact CG-CD1 3.87Å; L242-L246 HydrophobicContact CG-CG 4.34Å; L242-L246 WeakPolarHBondContact O-CG 3.38Å; L242-L246 PolarHBondContact O-N 2.78Å; L243-L246 PolarHBondContact O-N 2.78Å; T244-L246 PolarHBondContact O-N 3.4Å; L246-Q248 VanDerWaalsContact C-N 3.31Å; L246-Q248 PolarHBondContact O-N 3.33Å; L246-L249 HydrophobicContact CD2-CD1 4.5Å; L246-L249 WeakPolarHBondContact O-CB 3.43Å; L246-L249 PolarHBondContact O-N 3.44Å
247	K	96.8	Very high	95.3	Very high	122 Å²	122	67.5 Å²	67.5	53%	0.53	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-33.3	174.6	-78.6	-177.2	176.8	-178	0	112.6	F30 L243 T244 L249 K250	F30-K247 HydrophobicContact CZ-CG 4.48Å; L243-K247 HydrophobicContact CD1-CD 4.4Å; L243-K247 HydrophobicContact CD1-CG 4.26Å; L243-K247 HydrophobicContact CG-CD 4.34Å; L243-K247 WeakPolarHBondContact O-CG 3.13Å; L243-K247 PolarHBondContact O-N 3.02Å; T244-K247 PolarHBondContact O-N 3.15Å; K247-L249 PolarHBondContact O-N 3.33Å; K247-K250 PolarHBondContact O-N 3.02Å
248	Q	95.2	Very high	95.7	Very high	148 Å²	148	64.3 Å²	64.3	69%	0.692	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.4	175.2	-69	171.6	-13.3	0	0	113.1	T244 A245 L246	T244-Q248 WeakPolarHBondContact O-CG 3.44Å; T244-Q248 PolarHBondContact O-N 2.94Å; A245-Q248 PolarHBondContact O-N 3.41Å; L246-Q248 VanDerWaalsContact C-N 3.31Å; L246-Q248 PolarHBondContact O-N 3.33Å
249	L	95.2	Very high	95.8	Very high	25 Å²	25	58.8 Å²	58.8	13%	0.131	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.7	179	-66.3	-179.5	0	0	0	113.7	M1 K211 V213 A232 A245 L246 K247	M1-L249 HydrophobicContact CE-CB 4.2Å; M1-L249 VanDerWaalsContact CE-O 3.28Å; M1-L249 WeakPolarHBondContact CE-O 3.22Å; K211-L249 HydrophobicContact CB-CD1 4.26Å; K211-L249 HydrophobicContact CD-CB 3.97Å; K211-L249 HydrophobicContact CD-CD1 4.25Å; K211-L249 HydrophobicContact CD-CD2 4.39Å; K211-L249 HydrophobicContact CD-CG 4.44Å; K211-L249 PolarHBondContact NZ-O 3.47Å; V213-L249 HydrophobicContact CG2-CD1 3.48Å; V213-L249 VanDerWaalsContact CG2-CD1 3.48Å; A232-L249 HydrophobicContact CB-CD1 3.95Å; A232-L249 HydrophobicContact CB-CD2 4.33Å; A232-L249 HydrophobicContact CB-CG 4.24Å; A245-L249 WeakPolarHBondContact O-CG 3.3Å; L246-L249 HydrophobicContact CD2-CD1 4.5Å; L246-L249 WeakPolarHBondContact O-CB 3.43Å; L246-L249 PolarHBondContact O-N 3.44Å; K247-L249 PolarHBondContact O-N 3.33Å
250	K	82.6	Confident	95.9	Very high	168 Å²	168	62.1 Å²	62.1	73%	0.73	30%	0.299	S	S	*	.			trans	-78.6	0	172.9	-79.5	-168.9	172.7	-176.7	0	110.5	M1 F30 K247	M1-K250 HydrophobicContact CE-CG 3.8Å; F30-K250 HydrophobicContact CZ-CD 4.43Å; K247-K250 PolarHBondContact O-N 3.02Å

Retrieved 250 of 250 residues in 85.9 ms (Link to these results)

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