A0A077ZDB1_TRITR Loading...

GMP synthase [glutamine-hydrolyzing]

Catalyzes the conversion of xanthine monophosphate (XMP) to GMP in the presence of glutamine and ATP through an adenyl-XMP intermediate.

AlphaFold DB , UniProt , Accession A0A077ZDB1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 515 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	55.3	Low	84.3	Confident	76 Å²	76	44.1 Å²	44.1	37%	0.374	24%	0.24	S	C	.	.				0	29	0	-64.9	-172.5	174.1	0	0	112.4	N3 V4 F30 W198 F203 M206 Q207 T368	M1-N3 PolarHBondContact O-N 3.29Å; M1-V4 HydrophobicContact CB-CG2 4.44Å; M1-V4 PolarHBondContact O-N 2.92Å; M1-F30 HydrophobicContact SD-CZ 4.24Å; M1-W198 HydrophobicContact CE-CH2 4.03Å; M1-W198 HydrophobicContact CE-CZ3 4.48Å; M1-F203 HydrophobicContact CE-CD2 4.31Å; M1-F203 HydrophobicContact CE-CE2 3.75Å; M1-M206 HydrophobicContact CB-CE 3.97Å; M1-M206 HydrophobicContact CG-CE 3.64Å; M1-Q207 VanDerWaalsContact CE-NE2 3.27Å; M1-T368 HydrophobicContact CE-CG2 3.91Å; M1-T368 WeakPolarHBondContact CE-OG1 3.3Å; M1-T368 HydrophobicContact SD-CG2 4.35Å
2	T	53.8	Low	85.1	Confident	148 Å²	148	40.4 Å²	40.4	91%	0.908	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.4	-171.2	27.1	0	0	0	0	115.3
3	N	67.7	Low	85.3	Confident	160 Å²	160	39.3 Å²	39.3	86%	0.856	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	5.1	179.9	-80.8	-8.3	0	0	0	114.8	M1	M1-N3 PolarHBondContact O-N 3.29Å
4	V	84	Confident	85.2	Confident	22 Å²	22	37.7 Å²	37.7	13%	0.133	22%	0.216	C	C	.	.	S	Bend	trans	-87.8	126	179.1	-175.7	0	0	0	0	109.3	M1 K6 F30 W198 M206	M1-V4 HydrophobicContact CB-CG2 4.44Å; M1-V4 PolarHBondContact O-N 2.92Å; V4-K6 PolarHBondContact O-N 2.81Å; V4-F30 HydrophobicContact CG1-CB 3.59Å; V4-F30 HydrophobicContact CG1-CG 4.26Å; V4-W198 HydrophobicContact CG1-CE3 3.75Å; V4-W198 HydrophobicContact CG1-CZ3 4.11Å; V4-W198 HydrophobicContact CG2-CZ3 4.45Å; V4-M206 HydrophobicContact CG2-CE 3.5Å; V4-M206 VanDerWaalsContact CG2-CE 3.5Å; V4-M206 HydrophobicContact CG2-SD 3.57Å; V4-M206 VanDerWaalsContact CG2-SD 3.57Å
5	E	91.4	Very high	84.8	Confident	30 Å²	30	45.7 Å²	45.7	14%	0.14	25%	0.251	C	S	.	.			trans	-63.3	128	172.2	-64.2	-173.1	145.8	0	0	109.4	K49 C194 K195	E5-K49 HydrophobicContact CB-CG 4.05Å; E5-K49 HydrophobicContact CG-CG 4.38Å; E5-K49 WeakPolarHBondContact OE1-CE 3.47Å; E5-K49 IonicContact OE1-NZ 3.73Å; E5-K49 PolarHBondContact OE1-NZ 3.18Å; E5-C194 WeakPolarHBondContact OE2-CA 3.09Å; E5-K195 WeakPolarHBondContact OE2-CG 3.46Å; E5-K195 PolarHBondContact OE2-N 3.18Å
6	K	94.5	Very high	84.5	Confident	33 Å²	33	46.1 Å²	46.1	14%	0.143	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147	-174.5	69.2	170	63.5	-169.6	0	113.2	V4 I8 F30 E32 M46 P48 K49	V4-K6 PolarHBondContact O-N 2.81Å; K6-I8 HydrophobicContact CD-CG2 4.4Å; K6-F30 CarbonylContact C-O 3.25Å; K6-F30 VanDerWaalsContact CA-O 3.26Å; K6-F30 WeakPolarHBondContact CA-O 3.24Å; K6-F30 HydrophobicContact CB-CD1 3.82Å; K6-E32 IonicContact NZ-OE2 2.89Å; K6-E32 PolarHBondContact NZ-OE2 3.44Å; K6-M46 HydrophobicContact CD-CE 4.21Å; K6-P48 HydrophobicContact CG-CB 4.25Å; K6-P48 CarbonylContact O-C 3.55Å; K6-P48 WeakPolarHBondContact O-CA 3.41Å; K6-K49 PolarHBondContact O-N 3.26Å
7	I	97.5	Very high	84.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.6	165.6	-68.2	175.8	0	0	0	108	I24 V29 F30 S31 E32 G50 I52 F187 A188 C192	I7-I24 HydrophobicContact CB-CG2 4.22Å; I7-I24 HydrophobicContact CD1-CG2 3.99Å; I7-V29 HydrophobicContact CD1-CG1 3.94Å; I7-V29 HydrophobicContact CG1-CG1 4.03Å; I7-F30 PolarHBondContact N-O 2.95Å; I7-S31 WeakPolarHBondContact O-CA 3.05Å; I7-E32 PolarHBondContact O-N 3.07Å; I7-E32 VanDerWaalsContact O-N 3.09Å; I7-G50 WeakPolarHBondContact CA-O 3.43Å; I7-I52 HydrophobicContact CG2-CD1 4.02Å; I7-I52 HydrophobicContact CG2-CG1 3.99Å; I7-F187 HydrophobicContact CG2-CE1 4.48Å; I7-A188 HydrophobicContact CD1-CB 3.7Å; I7-C192 HydrophobicContact CD1-CB 4.3Å
8	I	96.9	Very high	84.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.5	175.2	60.5	171	0	0	0	110.2	K6 L10 E32 L34 V43 M46 P48 G50 I51 I52	K6-I8 HydrophobicContact CD-CG2 4.4Å; I8-L10 HydrophobicContact CD1-CD2 4.16Å; I8-E32 CarbonylContact C-O 3.55Å; I8-E32 WeakPolarHBondContact CA-O 3.45Å; I8-L34 HydrophobicContact CB-CD1 3.89Å; I8-L34 HydrophobicContact CD1-CD1 4.31Å; I8-L34 HydrophobicContact CG2-CD1 3.65Å; I8-V43 HydrophobicContact CD1-CG1 3.95Å; I8-V43 HydrophobicContact CD1-CG2 3.92Å; I8-M46 HydrophobicContact CG2-CE 4.16Å; I8-P48 HydrophobicContact CD1-CG 4.08Å; I8-P48 HydrophobicContact CG1-CB 4.19Å; I8-P48 HydrophobicContact CG1-CG 4.19Å; I8-P48 HydrophobicContact CG2-CB 4.08Å; I8-G50 PolarHBondContact N-O 3.48Å; I8-G50 VanDerWaalsContact N-O 3.08Å; I8-I51 HydrophobicContact CD1-CD1 4.17Å; I8-I51 HydrophobicContact CD1-CG1 3.95Å; I8-I51 HydrophobicContact CD1-CG2 4.45Å; I8-I51 HydrophobicContact CG1-CB 4.24Å; I8-I51 HydrophobicContact CG1-CG1 3.8Å; I8-I51 HydrophobicContact CG1-CG2 4.17Å; I8-I51 CarbonylContact O-C 3.54Å; I8-I51 WeakPolarHBondContact O-CA 3.03Å; I8-I52 PolarHBondContact O-N 2.69Å
9	V	97.1	Very high	85	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.9	173.6	-174.6	0	0	0	0	107.1	I20 E32 L33 L34 I52	V9-I20 HydrophobicContact CG1-CB 4.26Å; V9-I20 HydrophobicContact CG1-CD1 4.29Å; V9-I20 HydrophobicContact CG1-CG2 4Å; V9-I20 HydrophobicContact CG2-CG2 3.85Å; V9-E32 PolarHBondContact N-O 3.4Å; V9-L33 HydrophobicContact CB-CD1 3.89Å; V9-L33 HydrophobicContact CG1-CD1 3.73Å; V9-L33 CarbonylContact O-C 3.53Å; V9-L33 WeakPolarHBondContact O-CA 3.32Å; V9-L34 PolarHBondContact O-N 2.69Å; V9-I52 CarbonylContact C-O 3.54Å; V9-I52 WeakPolarHBondContact CA-O 3.27Å; V9-I52 HydrophobicContact CG1-CB 4.44Å; V9-I52 HydrophobicContact CG2-CB 4.31Å
10	L	96.4	Very high	85.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.2	177.5	-57.7	-167.7	0	0	0	109.9	I8 Y12 L34 I38 I51 I52 L53 S54 I68 I72	I8-L10 HydrophobicContact CD1-CD2 4.16Å; L10-Y12 HydrophobicContact CB-CD2 4.45Å; L10-Y12 HydrophobicContact CB-CE2 3.81Å; L10-Y12 WeakPolarHBondContact O-CD2 3.4Å; L10-Y12 PolarHBondContact O-N 3.31Å; L10-L34 WeakPolarHBondContact CA-O 3.45Å; L10-L34 HydrophobicContact CD2-CB 4.05Å; L10-I38 HydrophobicContact CD1-CG2 4.06Å; L10-I38 HydrophobicContact CD2-CG2 3.63Å; L10-I51 HydrophobicContact CD1-CG2 4.1Å; L10-I51 HydrophobicContact CG-CG2 3.98Å; L10-I52 PolarHBondContact N-O 3.36Å; L10-L53 HydrophobicContact CB-CD2 4.13Å; L10-L53 HydrophobicContact CD1-CD2 3.66Å; L10-L53 HydrophobicContact CG-CD2 4.06Å; L10-S54 VanDerWaalsContact O-CB 3.29Å; L10-S54 WeakPolarHBondContact O-CB 3.24Å; L10-S54 PolarHBondContact O-N 2.67Å; L10-S54 PolarHBondContact O-OG 2.73Å; L10-S54 VanDerWaalsContact O-OG 3.07Å; L10-I68 HydrophobicContact CD1-CD1 4.4Å; L10-I72 HydrophobicContact CD1-CD1 4.45Å
11	D	93.3	Very high	85.8	Confident	16 Å²	16	40.1 Å²	40.1	9%	0.086	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	111	-177.4	-170.7	-34.6	0	0	0	111.8	G13 N17 L33 L34 H36	D11-G13 WeakPolarHBondContact OD1-CA 3.34Å; D11-G13 PolarHBondContact OD1-N 3.17Å; D11-N17 PolarHBondContact OD1-ND2 3.41Å; D11-N17 PolarHBondContact OD2-ND2 3.34Å; D11-L33 HydrophobicContact CB-CD1 4.01Å; D11-L33 HydrophobicContact CB-CG 4.4Å; D11-L34 WeakPolarHBondContact CB-O 3.41Å; D11-L34 PolarHBondContact N-O 2.82Å; D11-H36 WeakPolarHBondContact O-CB 3.47Å; D11-H36 PolarHBondContact O-CD2 2.94Å
12	Y	93.2	Very high	87.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-105.1	17.8	171.8	-69.7	-82.1	0	0	0	113.8	L10 H36 L53 S54 G55 G56 F66 I68 Y84 L88	L10-Y12 HydrophobicContact CB-CD2 4.45Å; L10-Y12 HydrophobicContact CB-CE2 3.81Å; L10-Y12 WeakPolarHBondContact O-CD2 3.4Å; L10-Y12 PolarHBondContact O-N 3.31Å; Y12-H36 HydrophobicContact CD1-CB 3.81Å; Y12-H36 HydrophobicContact CE1-CB 3.44Å; Y12-H36 VanDerWaalsContact CE1-CB 3.44Å; Y12-H36 HydrophobicContact CE2-CB 4.2Å; Y12-H36 HydrophobicContact CG-CB 4.33Å; Y12-L53 HydrophobicContact CD2-CB 4.39Å; Y12-L53 HydrophobicContact CE2-CB 3.89Å; Y12-L53 HydrophobicContact CE2-CD2 4.04Å; Y12-L53 HydrophobicContact CE2-CG 4.47Å; Y12-S54 PolarHBondContact N-OG 2.91Å; Y12-G55 CarbonylContact C-O 3.59Å; Y12-G55 WeakPolarHBondContact CB-O 3.36Å; Y12-G56 WeakPolarHBondContact O-CA 3.46Å; Y12-F66 HydrophobicContact CD1-CB 3.67Å; Y12-F66 HydrophobicContact CE1-CB 4.18Å; Y12-F66 WeakPolarHBondContact O-CD2 3.21Å; Y12-I68 WeakPolarHBondContact OH-CB 3.46Å; Y12-Y84 AromaticContact CD1-CD1 3.75Å; Y12-Y84 HydrophobicContact CD1-CD1 3.75Å; Y12-Y84 AromaticContact CD1-CE1 3.53Å; Y12-Y84 HydrophobicContact CD1-CE1 3.53Å; Y12-Y84 HydrophobicContact CE1-CE1 4.16Å; Y12-Y84 AromaticContact CG-CD1 3.76Å; Y12-Y84 HydrophobicContact CG-CD1 3.76Å; Y12-Y84 HydrophobicContact CG-CE1 4.04Å; Y12-L88 HydrophobicContact CD1-CD2 4.34Å; Y12-L88 HydrophobicContact CE1-CD2 3.45Å; Y12-L88 VanDerWaalsContact CE1-CD2 3.45Å; Y12-L88 HydrophobicContact CE2-CD2 4.2Å; Y12-L88 VanDerWaalsContact OH-CD2 3.3Å; Y12-L88 WeakPolarHBondContact OH-CD2 3.49Å
13	G	87.7	Confident	89.3	Confident	26 Å²	26	33.5 Å²	33.5	27%	0.268	17%	0.168	S	C	.	.	S	Bend	trans	92	12.7	173.7	0	0	0	0	0	115.6	D11	D11-G13 WeakPolarHBondContact OD1-CA 3.34Å; D11-G13 PolarHBondContact OD1-N 3.17Å
14	S	83.8	Confident	90.6	Very high	17 Å²	17	25.9 Å²	25.9	12%	0.119	13%	0.127	C	C	.	.			trans	-71.7	141	172.6	160.7	0	0	0	0	112.1	Y16 N17 G55	S14-Y16 PolarHBondContact O-N 3.07Å; S14-Y16 VanDerWaalsContact O-N 3.1Å; S14-Y16 PolarHBondContact OG-N 2.85Å; S14-N17 WeakPolarHBondContact CB-OD1 3.27Å; S14-N17 PolarHBondContact N-ND2 3.27Å; S14-N17 PolarHBondContact O-N 3.19Å; S14-N17 PolarHBondContact O-ND2 3.03Å; S14-N17 PolarHBondContact O-OD1 3.3Å; S14-G55 WeakPolarHBondContact CB-O 3.43Å; S14-G55 PolarHBondContact N-O 3.43Å
15	Q	78.9	Confident	91	Very high	158 Å²	158	25.5 Å²	25.5	74%	0.738	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.4	172.4	63.5	-173.7	-24	0	0	113.8
16	Y	81.3	Confident	91	Very high	51 Å²	51	28.4 Å²	28.4	20%	0.2	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	6.3	-175.5	-52.4	-59.4	0	0	0	114.3	S14 Q18 L19 I20 H171 E173 V174	S14-Y16 PolarHBondContact O-N 3.07Å; S14-Y16 VanDerWaalsContact O-N 3.1Å; S14-Y16 PolarHBondContact OG-N 2.85Å; Y16-Q18 PolarHBondContact O-N 3.46Å; Y16-L19 WeakPolarHBondContact O-CA 3.22Å; Y16-L19 WeakPolarHBondContact O-CB 3.29Å; Y16-L19 PolarHBondContact O-N 3.42Å; Y16-I20 PolarHBondContact O-N 3.06Å; Y16-I20 VanDerWaalsContact O-N 3.11Å; Y16-H171 AromaticContact CD2-CE1 3.72Å; Y16-H171 AromaticContact CD2-ND1 3.53Å; Y16-E173 WeakPolarHBondContact CB-OE1 3.35Å; Y16-V174 HydrophobicContact CD1-CG1 3.86Å; Y16-V174 HydrophobicContact CD2-CG1 4.41Å; Y16-V174 HydrophobicContact CE1-CG1 3.91Å; Y16-V174 HydrophobicContact CE2-CG1 4.44Å; Y16-V174 HydrophobicContact CG-CG1 4.13Å
17	N	86.2	Confident	90.9	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-43.3	-173.9	-66	-11.8	0	0	0	113.9	D11 S14 L19 I20 T21 L33 S54	D11-N17 PolarHBondContact OD1-ND2 3.41Å; D11-N17 PolarHBondContact OD2-ND2 3.34Å; S14-N17 WeakPolarHBondContact CB-OD1 3.27Å; S14-N17 PolarHBondContact N-ND2 3.27Å; S14-N17 PolarHBondContact O-N 3.19Å; S14-N17 PolarHBondContact O-ND2 3.03Å; S14-N17 PolarHBondContact O-OD1 3.3Å; N17-L19 PolarHBondContact O-N 3.24Å; N17-I20 PolarHBondContact O-N 2.94Å; N17-T21 PolarHBondContact O-N 3.49Å; N17-T21 PolarHBondContact O-OG1 3.22Å; N17-L33 HydrophobicContact CB-CD1 3.8Å; N17-L33 HydrophobicContact CB-CD2 3.98Å; N17-S54 WeakPolarHBondContact OD1-CB 3.28Å; N17-S54 PolarHBondContact OD1-OG 3.31Å
18	Q	86.7	Confident	90.6	Very high	64 Å²	64	29.2 Å²	29.2	30%	0.299	14%	0.144	S	C	.	.	H	α-helix	trans	-63.5	-31.8	174.9	-63.6	-172.3	13.2	0	0	111.4	Y16 T21 R22 L33 I335 F370	Y16-Q18 PolarHBondContact O-N 3.46Å; Q18-T21 WeakPolarHBondContact O-CB 3.24Å; Q18-T21 PolarHBondContact O-N 3.38Å; Q18-R22 VanDerWaalsContact O-CG 3.29Å; Q18-R22 WeakPolarHBondContact O-CG 3.29Å; Q18-R22 PolarHBondContact O-N 3.39Å; Q18-L33 HydrophobicContact CG-CD2 4.35Å; Q18-I335 HydrophobicContact CG-CD1 4.26Å; Q18-F370 HydrophobicContact CB-CE1 4.34Å
19	L	89.4	Confident	90.5	Very high	37 Å²	37	29.4 Å²	29.4	19%	0.194	15%	0.145	C	C	.	.	H	α-helix	trans	-69.4	-42.2	179.8	-167.1	60.7	0	0	0	111.7	Y16 N17 T21 R22 R23 E173 V174	Y16-L19 WeakPolarHBondContact O-CA 3.22Å; Y16-L19 WeakPolarHBondContact O-CB 3.29Å; Y16-L19 PolarHBondContact O-N 3.42Å; N17-L19 PolarHBondContact O-N 3.24Å; L19-T21 VanDerWaalsContact C-N 3.28Å; L19-T21 PolarHBondContact O-N 3.14Å; L19-R22 PolarHBondContact O-N 3.16Å; L19-R23 WeakPolarHBondContact O-CG 3.42Å; L19-R23 PolarHBondContact O-N 2.88Å; L19-E173 HydrophobicContact CB-CB 4.35Å; L19-E173 HydrophobicContact CB-CG 4.15Å; L19-E173 HydrophobicContact CD2-CB 4.31Å; L19-E173 HydrophobicContact CD2-CG 4.08Å; L19-E173 WeakPolarHBondContact CD2-O 3.32Å; L19-E173 HydrophobicContact CG-CB 4.1Å; L19-E173 HydrophobicContact CG-CG 4.21Å; L19-E173 WeakPolarHBondContact CG-O 3.46Å; L19-V174 HydrophobicContact CD2-CG1 4.03Å
20	I	93.4	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-53.9	-51.7	172	-60.5	167.7	0	0	0	109.3	V9 Y16 N17 R22 R23 I24 I52 I82 E173	V9-I20 HydrophobicContact CG1-CB 4.26Å; V9-I20 HydrophobicContact CG1-CD1 4.29Å; V9-I20 HydrophobicContact CG1-CG2 4Å; V9-I20 HydrophobicContact CG2-CG2 3.85Å; Y16-I20 PolarHBondContact O-N 3.06Å; Y16-I20 VanDerWaalsContact O-N 3.11Å; N17-I20 PolarHBondContact O-N 2.94Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.87Å; I20-R23 PolarHBondContact O-N 2.93Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.21Å; I20-I24 VanDerWaalsContact O-N 3.12Å; I20-I52 HydrophobicContact CG2-CB 4.38Å; I20-I52 HydrophobicContact CG2-CD1 3.75Å; I20-I52 HydrophobicContact CG2-CG2 3.91Å; I20-I82 HydrophobicContact CD1-CD1 3.92Å; I20-I82 HydrophobicContact CG1-CD1 4.23Å; I20-E173 HydrophobicContact CB-CB 4.46Å; I20-E173 HydrophobicContact CG1-CB 3.79Å; I20-E173 HydrophobicContact CG1-CG 3.67Å
21	T	92.9	Very high	90.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.9	-47.3	-179	-48.7	0	0	0	0	110.5	N17 Q18 L19 I24 R25 S31 Y331 F370	N17-T21 PolarHBondContact O-N 3.49Å; N17-T21 PolarHBondContact O-OG1 3.22Å; Q18-T21 WeakPolarHBondContact O-CB 3.24Å; Q18-T21 PolarHBondContact O-N 3.38Å; L19-T21 VanDerWaalsContact C-N 3.28Å; L19-T21 PolarHBondContact O-N 3.14Å; T21-I24 PolarHBondContact O-N 3.28Å; T21-R25 WeakPolarHBondContact O-CG 3.2Å; T21-R25 PolarHBondContact O-N 3.33Å; T21-S31 WeakPolarHBondContact CG2-OG 3.23Å; T21-S31 PolarHBondContact O-OG 3.04Å; T21-Y331 HydrophobicContact CG2-CE1 4.07Å; T21-F370 HydrophobicContact CG2-CE2 3.88Å; T21-F370 HydrophobicContact CG2-CZ 3.92Å
22	R	91.1	Very high	90.3	Very high	61 Å²	61	31.1 Å²	31.1	23%	0.23	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-45.7	175.9	-73.1	174.8	72.4	-168.9	0.7	113.2	Q18 L19 I20 I24 R25 E26 F370 D372	Q18-R22 VanDerWaalsContact O-CG 3.29Å; Q18-R22 WeakPolarHBondContact O-CG 3.29Å; Q18-R22 PolarHBondContact O-N 3.39Å; L19-R22 PolarHBondContact O-N 3.16Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.87Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 PolarHBondContact O-N 3.47Å; R22-R25 PolarHBondContact O-N 3.02Å; R22-R25 VanDerWaalsContact O-N 3.08Å; R22-E26 PolarHBondContact O-N 3.39Å; R22-F370 HydrophobicContact CG-CB 4.43Å; R22-F370 HydrophobicContact CG-CD1 3.83Å; R22-F370 HydrophobicContact CG-CD2 3.49Å; R22-F370 VanDerWaalsContact CG-CD2 3.49Å; R22-F370 HydrophobicContact CG-CE1 3.85Å; R22-F370 HydrophobicContact CG-CE2 3.5Å; R22-F370 HydrophobicContact CG-CG 3.65Å; R22-F370 HydrophobicContact CG-CZ 3.69Å; R22-D372 IonicContact CZ-OD2 3.66Å; R22-D372 IonicContact NE-OD2 2.65Å; R22-D372 PolarHBondContact NE-OD2 3.07Å; R22-D372 IonicContact NH2-OD2 2.75Å; R22-D372 PolarHBondContact NH2-OD2 3.44Å
23	R	92.1	Very high	90.3	Very high	23 Å²	23	31.7 Å²	31.7	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-41.6	179.1	-68.2	-51.7	176.7	-144.7	-17.8	112.6	L19 I20 R25 E26 F27 E173 N181 L184	L19-R23 WeakPolarHBondContact O-CG 3.42Å; L19-R23 PolarHBondContact O-N 2.88Å; I20-R23 PolarHBondContact O-N 2.93Å; R23-R25 VanDerWaalsContact C-N 3.27Å; R23-R25 PolarHBondContact O-N 3.43Å; R23-E26 WeakPolarHBondContact CD-OE2 3.42Å; R23-E26 IonicContact CZ-OE1 2.76Å; R23-E26 IonicContact CZ-OE2 3.6Å; R23-E26 IonicContact NE-OE2 3.79Å; R23-E26 IonicContact NH1-OE1 3.61Å; R23-E26 PolarHBondContact NH1-OE1 3.36Å; R23-E26 IonicContact NH1-OE2 2.69Å; R23-E26 PolarHBondContact NH1-OE2 2.97Å; R23-E26 WeakPolarHBondContact O-CB 3.12Å; R23-E26 PolarHBondContact O-N 3.03Å; R23-F27 HydrophobicContact CB-CE2 4.5Å; R23-F27 VanDerWaalsContact O-CD2 3.23Å; R23-F27 WeakPolarHBondContact O-CD2 3.39Å; R23-F27 WeakPolarHBondContact O-CE2 3.43Å; R23-E173 HydrophobicContact CG-CB 4.31Å; R23-E173 PolarHBondContact NE-O 3.23Å; R23-N181 VanDerWaalsContact CD-OD1 3.27Å; R23-N181 WeakPolarHBondContact CD-OD1 3.47Å; R23-L184 HydrophobicContact CB-CD1 3.77Å; R23-L184 HydrophobicContact CG-CD1 4.11Å
24	I	95.1	Very high	90.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-37.5	177.2	-61.3	-59.9	0	0	0	111.5	I7 I20 T21 R22 F27 V29 I52 L184 A188	I7-I24 HydrophobicContact CB-CG2 4.22Å; I7-I24 HydrophobicContact CD1-CG2 3.99Å; I20-I24 WeakPolarHBondContact O-CG1 3.28Å; I20-I24 PolarHBondContact O-N 3.21Å; I20-I24 VanDerWaalsContact O-N 3.12Å; T21-I24 PolarHBondContact O-N 3.28Å; R22-I24 VanDerWaalsContact C-N 3.32Å; R22-I24 PolarHBondContact O-N 3.47Å; I24-F27 HydrophobicContact CD1-CD2 4.49Å; I24-F27 PolarHBondContact O-N 3.32Å; I24-V29 CarbonylContact C-O 3.51Å; I24-V29 HydrophobicContact CG2-CB 3.83Å; I24-V29 HydrophobicContact CG2-CG1 3.92Å; I24-V29 PolarHBondContact O-N 3.16Å; I24-I52 HydrophobicContact CD1-CD1 3.8Å; I24-I52 HydrophobicContact CG1-CD1 3.88Å; I24-L184 HydrophobicContact CD1-CB 4.23Å; I24-A188 HydrophobicContact CD1-CB 4.2Å
25	R	92.6	Very high	91	Very high	14 Å²	14	34 Å²	34	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-70	-31.8	177	-62.8	-176.4	-175.9	-163.5	-5.4	113.4	T21 R22 R23 F27 G28 V29 S31 T368 E373	T21-R25 WeakPolarHBondContact O-CG 3.2Å; T21-R25 PolarHBondContact O-N 3.33Å; R22-R25 PolarHBondContact O-N 3.02Å; R22-R25 VanDerWaalsContact O-N 3.08Å; R23-R25 VanDerWaalsContact C-N 3.27Å; R23-R25 PolarHBondContact O-N 3.43Å; R25-F27 PolarHBondContact O-N 3.32Å; R25-F27 VanDerWaalsContact O-N 3.13Å; R25-G28 PolarHBondContact O-N 3.44Å; R25-V29 VanDerWaalsContact CA-O 3.29Å; R25-V29 WeakPolarHBondContact CA-O 3.37Å; R25-S31 VanDerWaalsContact CG-OG 3.28Å; R25-S31 WeakPolarHBondContact CG-OG 3.46Å; R25-S31 PolarHBondContact NE-O 3.35Å; R25-S31 VanDerWaalsContact NE-O 3.16Å; R25-S31 PolarHBondContact NE-OG 2.89Å; R25-S31 PolarHBondContact NH2-O 3.5Å; R25-T368 VanDerWaalsContact CZ-O 3.24Å; R25-T368 PolarHBondContact NH1-O 2.96Å; R25-T368 PolarHBondContact NH2-O 3.45Å; R25-E373 WeakPolarHBondContact CD-OE1 3.1Å; R25-E373 WeakPolarHBondContact CD-OE2 3.41Å; R25-E373 IonicContact CZ-OE2 3.66Å; R25-E373 IonicContact NH1-OE1 3.68Å; R25-E373 IonicContact NH1-OE2 2.68Å; R25-E373 PolarHBondContact NH1-OE2 3.46Å
26	E	90.5	Very high	91.7	Very high	92 Å²	92	27.6 Å²	27.6	43%	0.43	14%	0.135	S	C	.	.	H	α-helix	trans	-59.4	-21.5	172.5	-68.9	169	-169.2	0	0	112.1	R22 R23	R22-E26 PolarHBondContact O-N 3.39Å; R23-E26 WeakPolarHBondContact CD-OE2 3.42Å; R23-E26 IonicContact CZ-OE1 2.76Å; R23-E26 IonicContact CZ-OE2 3.6Å; R23-E26 IonicContact NE-OE2 3.79Å; R23-E26 IonicContact NH1-OE1 3.61Å; R23-E26 PolarHBondContact NH1-OE1 3.36Å; R23-E26 IonicContact NH1-OE2 2.69Å; R23-E26 PolarHBondContact NH1-OE2 2.97Å; R23-E26 WeakPolarHBondContact O-CB 3.12Å; R23-E26 PolarHBondContact O-N 3.03Å
27	F	92.6	Very high	92.3	Very high	37 Å²	37	32.2 Å²	32.2	16%	0.162	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	10.1	176	-46.6	-40.8	0	0	0	113.9	R23 I24 R25 N181 L184 R185	R23-F27 HydrophobicContact CB-CE2 4.5Å; R23-F27 VanDerWaalsContact O-CD2 3.23Å; R23-F27 WeakPolarHBondContact O-CD2 3.39Å; R23-F27 WeakPolarHBondContact O-CE2 3.43Å; I24-F27 HydrophobicContact CD1-CD2 4.49Å; I24-F27 PolarHBondContact O-N 3.32Å; R25-F27 PolarHBondContact O-N 3.32Å; R25-F27 VanDerWaalsContact O-N 3.13Å; F27-N181 HydrophobicContact CE1-CB 4.46Å; F27-N181 HydrophobicContact CZ-CB 4.11Å; F27-N181 WeakPolarHBondContact CZ-O 3.46Å; F27-L184 HydrophobicContact CE2-CB 3.66Å; F27-L184 HydrophobicContact CZ-CB 4.26Å; F27-R185 HydrophobicContact CD1-CB 4.23Å; F27-R185 HydrophobicContact CD1-CG 4.07Å; F27-R185 HydrophobicContact CD2-CB 4.13Å; F27-R185 HydrophobicContact CD2-CG 4.42Å; F27-R185 HydrophobicContact CE1-CB 4.15Å; F27-R185 HydrophobicContact CE1-CG 4.44Å; F27-R185 HydrophobicContact CE2-CB 4.06Å; F27-R185 HydrophobicContact CG-CB 4.23Å; F27-R185 HydrophobicContact CG-CG 4.08Å; F27-R185 HydrophobicContact CZ-CB 4.07Å
28	G	92.3	Very high	92.7	Very high	13 Å²	13	32.9 Å²	32.9	13%	0.134	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	24	-178.5	0	0	0	0	0	113.5	R25 G196 D197 W198	R25-G28 PolarHBondContact O-N 3.44Å; G28-G196 CarbonylContact O-C 3.56Å; G28-G196 WeakPolarHBondContact O-CA 3.45Å; G28-D197 PolarHBondContact O-N 3.4Å; G28-W198 VanDerWaalsContact C-CB 3.5Å; G28-W198 WeakPolarHBondContact CA-O 3.2Å; G28-W198 WeakPolarHBondContact O-CA 3.32Å; G28-W198 WeakPolarHBondContact O-CB 3.33Å; G28-W198 PolarHBondContact O-N 3.03Å
29	V	94.5	Very high	93.2	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	16%	0.157	C	C	.	.			trans	-115.9	125.8	177	-178.5	0	0	0	0	109.7	I7 I24 R25 S31 A188 L189 C194	I7-V29 HydrophobicContact CD1-CG1 3.94Å; I7-V29 HydrophobicContact CG1-CG1 4.03Å; I24-V29 CarbonylContact C-O 3.51Å; I24-V29 HydrophobicContact CG2-CB 3.83Å; I24-V29 HydrophobicContact CG2-CG1 3.92Å; I24-V29 PolarHBondContact O-N 3.16Å; R25-V29 VanDerWaalsContact CA-O 3.29Å; R25-V29 WeakPolarHBondContact CA-O 3.37Å; V29-S31 PolarHBondContact O-N 3.46Å; V29-A188 HydrophobicContact CG2-CB 4.26Å; V29-L189 HydrophobicContact CG2-CD2 3.67Å; V29-C194 HydrophobicContact CB-CB 4.39Å; V29-C194 HydrophobicContact CG1-CB 3.91Å; V29-C194 HydrophobicContact CG2-CB 3.53Å
30	F	94.1	Very high	93.6	Very high	4 Å²	4	31 Å²	31	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.3	175.4	-174.9	-107.4	0	0	0	110.2	M1 V4 K6 I7 E32 W198 T368	M1-F30 HydrophobicContact SD-CZ 4.24Å; V4-F30 HydrophobicContact CG1-CB 3.59Å; V4-F30 HydrophobicContact CG1-CG 4.26Å; K6-F30 CarbonylContact C-O 3.25Å; K6-F30 VanDerWaalsContact CA-O 3.26Å; K6-F30 WeakPolarHBondContact CA-O 3.24Å; K6-F30 HydrophobicContact CB-CD1 3.82Å; I7-F30 PolarHBondContact N-O 2.95Å; F30-E32 HydrophobicContact CE1-CB 4.32Å; F30-W198 HydrophobicContact CB-CD2 3.98Å; F30-W198 HydrophobicContact CB-CE3 3.84Å; F30-W198 HydrophobicContact CB-CG 4.31Å; F30-W198 HydrophobicContact CB-CZ3 4.26Å; F30-W198 AromaticContact CD2-CD2 3.88Å; F30-W198 HydrophobicContact CD2-CD2 3.88Å; F30-W198 AromaticContact CD2-CE2 3.69Å; F30-W198 AromaticContact CD2-CE3 3.84Å; F30-W198 HydrophobicContact CD2-CE3 3.84Å; F30-W198 AromaticContact CD2-CH2 3.29Å; F30-W198 HydrophobicContact CD2-CH2 3.29Å; F30-W198 AromaticContact CD2-CZ2 3.42Å; F30-W198 HydrophobicContact CD2-CZ2 3.42Å; F30-W198 VanDerWaalsContact CD2-CZ2 3.42Å; F30-W198 AromaticContact CD2-CZ3 3.55Å; F30-W198 HydrophobicContact CD2-CZ3 3.55Å; F30-W198 AromaticContact CE2-CH2 3.54Å; F30-W198 HydrophobicContact CE2-CH2 3.54Å; F30-W198 AromaticContact CE2-CZ2 3.76Å; F30-W198 HydrophobicContact CE2-CZ2 3.76Å; F30-W198 HydrophobicContact CE2-CZ3 4.15Å; F30-W198 HydrophobicContact CG-CD2 4.39Å; F30-W198 HydrophobicContact CG-CE3 4.15Å; F30-W198 HydrophobicContact CG-CH2 4.25Å; F30-W198 HydrophobicContact CG-CZ3 4.07Å; F30-T368 HydrophobicContact CZ-CG2 4.33Å
31	S	94.9	Very high	93.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.9	178.5	65.5	0	0	0	0	112	I7 T21 R25 V29	I7-S31 WeakPolarHBondContact O-CA 3.05Å; T21-S31 WeakPolarHBondContact CG2-OG 3.23Å; T21-S31 PolarHBondContact O-OG 3.04Å; R25-S31 VanDerWaalsContact CG-OG 3.28Å; R25-S31 WeakPolarHBondContact CG-OG 3.46Å; R25-S31 PolarHBondContact NE-O 3.35Å; R25-S31 VanDerWaalsContact NE-O 3.16Å; R25-S31 PolarHBondContact NE-OG 2.89Å; R25-S31 PolarHBondContact NH2-O 3.5Å; V29-S31 PolarHBondContact O-N 3.46Å
32	E	93	Very high	93.9	Very high	48 Å²	48	43.6 Å²	43.6	22%	0.224	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.5	-174.7	-163.4	172.4	173.2	0	0	109.8	K6 I7 I8 V9 F30 L34 M46 Y331	K6-E32 IonicContact NZ-OE2 2.89Å; K6-E32 PolarHBondContact NZ-OE2 3.44Å; I7-E32 PolarHBondContact O-N 3.07Å; I7-E32 VanDerWaalsContact O-N 3.09Å; I8-E32 CarbonylContact C-O 3.55Å; I8-E32 WeakPolarHBondContact CA-O 3.45Å; V9-E32 PolarHBondContact N-O 3.4Å; F30-E32 HydrophobicContact CE1-CB 4.32Å; E32-L34 HydrophobicContact CG-CD2 3.95Å; E32-L34 HydrophobicContact CG-CG 4.3Å; E32-M46 WeakPolarHBondContact OE2-CE 3.48Å; E32-Y331 WeakPolarHBondContact CA-OH 3.5Å; E32-Y331 WeakPolarHBondContact CG-OH 3.37Å
33	L	93.4	Very high	94.2	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.068	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.8	171.2	-173.2	66.3	0	0	0	110	V9 D11 N17 Q18 Y331 I335	V9-L33 HydrophobicContact CB-CD1 3.89Å; V9-L33 HydrophobicContact CG1-CD1 3.73Å; V9-L33 CarbonylContact O-C 3.53Å; V9-L33 WeakPolarHBondContact O-CA 3.32Å; D11-L33 HydrophobicContact CB-CD1 4.01Å; D11-L33 HydrophobicContact CB-CG 4.4Å; N17-L33 HydrophobicContact CB-CD1 3.8Å; N17-L33 HydrophobicContact CB-CD2 3.98Å; Q18-L33 HydrophobicContact CG-CD2 4.35Å; L33-Y331 PolarHBondContact N-OH 3.45Å; L33-Y331 PolarHBondContact O-OH 3.46Å; L33-I335 HydrophobicContact CB-CD1 4.18Å; L33-I335 HydrophobicContact CD2-CD1 3.98Å; L33-I335 HydrophobicContact CD2-CG1 4.32Å; L33-I335 HydrophobicContact CD2-CG2 3.81Å
34	L	93.6	Very high	94.3	Very high	32 Å²	32	47 Å²	47	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.9	-176	-60.3	173.8	0	0	0	110.8	I8 V9 L10 D11 E32 I38 M46	I8-L34 HydrophobicContact CB-CD1 3.89Å; I8-L34 HydrophobicContact CD1-CD1 4.31Å; I8-L34 HydrophobicContact CG2-CD1 3.65Å; V9-L34 PolarHBondContact O-N 2.69Å; L10-L34 WeakPolarHBondContact CA-O 3.45Å; L10-L34 HydrophobicContact CD2-CB 4.05Å; D11-L34 WeakPolarHBondContact CB-O 3.41Å; D11-L34 PolarHBondContact N-O 2.82Å; E32-L34 HydrophobicContact CG-CD2 3.95Å; E32-L34 HydrophobicContact CG-CG 4.3Å; L34-I38 HydrophobicContact CD1-CD1 3.74Å; L34-M46 HydrophobicContact CD1-CE 3.76Å; L34-M46 HydrophobicContact CD1-SD 3.73Å
35	S	92.8	Very high	94.3	Very high	59 Å²	59	51.3 Å²	51.3	41%	0.413	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	141.6	174.4	-179.3	0	0	0	0	111.6	R37 I38	S35-R37 PolarHBondContact O-N 2.95Å; S35-R37 VanDerWaalsContact O-N 3.07Å; S35-R37 PolarHBondContact OG-N 3.47Å; S35-I38 WeakPolarHBondContact O-CG2 3.46Å; S35-I38 PolarHBondContact O-N 3.43Å
36	H	92.9	Very high	94.4	Very high	24 Å²	24	53.2 Å²	53.2	11%	0.111	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-14	170.1	73.6	90.7	0	0	0	114.4	D11 Y12 I38 F66 S67	D11-H36 WeakPolarHBondContact O-CB 3.47Å; D11-H36 PolarHBondContact O-CD2 2.94Å; Y12-H36 HydrophobicContact CD1-CB 3.81Å; Y12-H36 HydrophobicContact CE1-CB 3.44Å; Y12-H36 VanDerWaalsContact CE1-CB 3.44Å; Y12-H36 HydrophobicContact CE2-CB 4.2Å; Y12-H36 HydrophobicContact CG-CB 4.33Å; H36-I38 VanDerWaalsContact C-N 3.26Å; H36-I38 PolarHBondContact O-N 3.21Å; H36-F66 AromaticContact CE1-CD1 3.92Å; H36-F66 AromaticContact CE1-CG 3.92Å; H36-F66 AromaticContact NE2-CD1 3.77Å; H36-F66 AromaticContact NE2-CG 3.77Å; H36-S67 PolarHBondContact ND1-O 2.94Å
37	R	93.6	Very high	94.5	Very high	147 Å²	147	55 Å²	55	56%	0.555	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.8	178.3	-64.1	-171.5	-178.7	158.5	10.4	114.2	S35 T39 E340	S35-R37 PolarHBondContact O-N 2.95Å; S35-R37 VanDerWaalsContact O-N 3.07Å; S35-R37 PolarHBondContact OG-N 3.47Å; R37-T39 PolarHBondContact O-N 2.94Å; R37-E340 IonicContact CZ-OE1 2.94Å; R37-E340 IonicContact CZ-OE2 3.14Å; R37-E340 VanDerWaalsContact NH1-CD 3.31Å; R37-E340 IonicContact NH1-OE1 3.16Å; R37-E340 PolarHBondContact NH1-OE1 3Å; R37-E340 IonicContact NH1-OE2 3.34Å; R37-E340 PolarHBondContact NH1-OE2 3.32Å; R37-E340 IonicContact NH2-OE1 3.66Å; R37-E340 IonicContact NH2-OE2 3.09Å; R37-E340 PolarHBondContact NH2-OE2 3Å
38	I	95.4	Very high	94.7	Very high	19 Å²	19	53.5 Å²	53.5	10%	0.097	28%	0.279	C	S	.	.			trans	-55.7	137.9	178.9	-164.3	168.8	0	0	0	110.7	L10 L34 S35 H36 E42 V43 M46 I72	L10-I38 HydrophobicContact CD1-CG2 4.06Å; L10-I38 HydrophobicContact CD2-CG2 3.63Å; L34-I38 HydrophobicContact CD1-CD1 3.74Å; S35-I38 WeakPolarHBondContact O-CG2 3.46Å; S35-I38 PolarHBondContact O-N 3.43Å; H36-I38 VanDerWaalsContact C-N 3.26Å; H36-I38 PolarHBondContact O-N 3.21Å; I38-E42 HydrophobicContact CD1-CB 4.06Å; I38-E42 HydrophobicContact CG1-CB 3.61Å; I38-V43 HydrophobicContact CD1-CG2 3.89Å; I38-V43 HydrophobicContact CG1-CG2 3.97Å; I38-V43 HydrophobicContact CG2-CG2 3.89Å; I38-M46 HydrophobicContact CD1-SD 3.97Å; I38-I72 HydrophobicContact CG2-CD1 4.45Å
39	T	97.4	Very high	95	Very high	54 Å²	54	56.4 Å²	56.4	33%	0.331	29%	0.288	S	S	.	.			trans	-86.3	157.7	179.8	63.1	0	0	0	0	111.5	R37 E41 E42 V43	R37-T39 PolarHBondContact O-N 2.94Å; T39-E41 PolarHBondContact O-N 2.95Å; T39-E42 WeakPolarHBondContact CB-OE2 3.39Å; T39-E42 PolarHBondContact N-OE2 3.2Å; T39-E42 PolarHBondContact O-N 3.28Å; T39-E42 VanDerWaalsContact OG1-CG 3.29Å; T39-E42 WeakPolarHBondContact OG1-CG 3.22Å; T39-E42 PolarHBondContact OG1-N 3.39Å; T39-E42 PolarHBondContact OG1-OE2 2.89Å; T39-V43 WeakPolarHBondContact O-CG2 3.24Å; T39-V43 PolarHBondContact O-N 2.97Å
40	A	97.4	Very high	95.2	Very high	7 Å²	7	56.2 Å²	56.2	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-29.1	173.8	0	0	0	0	0	112.7	K44 D69 K71 I72 L75	A40-K44 WeakPolarHBondContact O-CB 3.36Å; A40-K44 PolarHBondContact O-N 3.26Å; A40-D69 WeakPolarHBondContact CB-OD2 3.32Å; A40-D69 PolarHBondContact N-OD2 3.42Å; A40-K71 HydrophobicContact CB-CB 3.54Å; A40-I72 HydrophobicContact CB-CG1 3.97Å; A40-L75 HydrophobicContact CB-CD1 4.38Å; A40-L75 HydrophobicContact CB-CD2 4.38Å
41	E	97.2	Very high	95.4	Very high	163 Å²	163	56 Å²	56	76%	0.762	29%	0.286	S	S	*	.	H	α-helix	trans	-68.4	-44.1	175.6	-69.4	-168	148	0	0	112.1	T39 K44 A45	T39-E41 PolarHBondContact O-N 2.95Å; E41-K44 PolarHBondContact O-N 3.32Å; E41-A45 WeakPolarHBondContact O-CB 3.3Å; E41-A45 PolarHBondContact O-N 3.04Å
42	E	96.3	Very high	95.5	Very high	103 Å²	103	56 Å²	56	48%	0.481	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-45.6	175.4	-71.6	164.2	132.2	0	0	111.1	I38 T39 K44 A45 M46	I38-E42 HydrophobicContact CD1-CB 4.06Å; I38-E42 HydrophobicContact CG1-CB 3.61Å; T39-E42 WeakPolarHBondContact CB-OE2 3.39Å; T39-E42 PolarHBondContact N-OE2 3.2Å; T39-E42 PolarHBondContact O-N 3.28Å; T39-E42 VanDerWaalsContact OG1-CG 3.29Å; T39-E42 WeakPolarHBondContact OG1-CG 3.22Å; T39-E42 PolarHBondContact OG1-N 3.39Å; T39-E42 PolarHBondContact OG1-OE2 2.89Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.12Å; E42-A45 PolarHBondContact O-N 3.08Å; E42-M46 WeakPolarHBondContact O-CG 3.45Å; E42-M46 PolarHBondContact O-N 2.8Å
43	V	96.5	Very high	95.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-45	174.9	175.8	0	0	0	0	110.6	I8 I38 T39 A45 M46 N47 P48 I51 I72 L75 I77	I8-V43 HydrophobicContact CD1-CG1 3.95Å; I8-V43 HydrophobicContact CD1-CG2 3.92Å; I38-V43 HydrophobicContact CD1-CG2 3.89Å; I38-V43 HydrophobicContact CG1-CG2 3.97Å; I38-V43 HydrophobicContact CG2-CG2 3.89Å; T39-V43 WeakPolarHBondContact O-CG2 3.24Å; T39-V43 PolarHBondContact O-N 2.97Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 3.29Å; V43-M46 PolarHBondContact O-N 3.46Å; V43-N47 PolarHBondContact O-N 3.01Å; V43-P48 HydrophobicContact CG1-CG 3.82Å; V43-P48 WeakPolarHBondContact O-CD 3.47Å; V43-I51 HydrophobicContact CG1-CD1 3.99Å; V43-I72 HydrophobicContact CG2-CD1 4.23Å; V43-I72 HydrophobicContact CG2-CG1 4.45Å; V43-L75 HydrophobicContact CB-CD1 3.86Å; V43-L75 HydrophobicContact CG1-CD1 3.47Å; V43-L75 VanDerWaalsContact CG1-CD1 3.47Å; V43-I77 HydrophobicContact CG1-CD1 3.94Å
44	K	95.4	Very high	95.9	Very high	154 Å²	154	53.1 Å²	53.1	67%	0.67	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-38.1	178.3	-173	175.2	-178.2	176.8	0	112.4	A40 E41 E42 M46 N47 L75	A40-K44 WeakPolarHBondContact O-CB 3.36Å; A40-K44 PolarHBondContact O-N 3.26Å; E41-K44 PolarHBondContact O-N 3.32Å; E42-K44 VanDerWaalsContact C-N 3.3Å; E42-K44 PolarHBondContact O-N 3.12Å; K44-M46 VanDerWaalsContact C-N 3.32Å; K44-N47 PolarHBondContact O-N 2.91Å; K44-L75 HydrophobicContact CB-CD2 4.12Å; K44-L75 HydrophobicContact CD-CD2 4.44Å
45	A	94.6	Very high	95.8	Very high	91 Å²	91	51.6 Å²	51.6	75%	0.752	26%	0.264	S	S	*	.	H	α-helix	trans	-66.8	-33.8	175.8	0	0	0	0	0	112.4	E41 E42 V43	E41-A45 WeakPolarHBondContact O-CB 3.3Å; E41-A45 PolarHBondContact O-N 3.04Å; E42-A45 PolarHBondContact O-N 3.08Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 3.29Å
46	M	93.2	Very high	95.5	Very high	54 Å²	54	49.8 Å²	49.8	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-73.5	-25.3	174.9	-68.4	-178.3	79.8	0	0	113.7	K6 I8 E32 L34 I38 E42 V43 K44	K6-M46 HydrophobicContact CD-CE 4.21Å; I8-M46 HydrophobicContact CG2-CE 4.16Å; E32-M46 WeakPolarHBondContact OE2-CE 3.48Å; L34-M46 HydrophobicContact CD1-CE 3.76Å; L34-M46 HydrophobicContact CD1-SD 3.73Å; I38-M46 HydrophobicContact CD1-SD 3.97Å; E42-M46 WeakPolarHBondContact O-CG 3.45Å; E42-M46 PolarHBondContact O-N 2.8Å; V43-M46 PolarHBondContact O-N 3.46Å; K44-M46 VanDerWaalsContact C-N 3.32Å
47	N	94.5	Very high	95	Very high	131 Å²	131	53.5 Å²	53.5	70%	0.701	28%	0.281	S	S	*	.			trans	52.1	54.6	-179.9	-170.2	47.3	0	0	0	114.4	V43 K44	V43-N47 PolarHBondContact O-N 3.01Å; K44-N47 PolarHBondContact O-N 2.91Å
48	P	96.6	Very high	94.5	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.032	27%	0.266	C	S	.	.			trans	-71.7	156.9	178.3	33.5	-36.9	0	0	0	112	K6 I8 V43 I77	K6-P48 HydrophobicContact CG-CB 4.25Å; K6-P48 CarbonylContact O-C 3.55Å; K6-P48 WeakPolarHBondContact O-CA 3.41Å; I8-P48 HydrophobicContact CD1-CG 4.08Å; I8-P48 HydrophobicContact CG1-CB 4.19Å; I8-P48 HydrophobicContact CG1-CG 4.19Å; I8-P48 HydrophobicContact CG2-CB 4.08Å; V43-P48 HydrophobicContact CG1-CG 3.82Å; V43-P48 WeakPolarHBondContact O-CD 3.47Å; P48-I77 HydrophobicContact CG-CD1 4.07Å
49	K	97.4	Very high	94.1	Very high	73 Å²	73	48.6 Å²	48.6	32%	0.317	27%	0.267	S	S	.	.	S	Bend	trans	-80.8	-20.5	175.1	-69.1	-69.2	-172.9	141.1	0	113.7	E5 K6 P78 C192 C194	E5-K49 HydrophobicContact CB-CG 4.05Å; E5-K49 HydrophobicContact CG-CG 4.38Å; E5-K49 WeakPolarHBondContact OE1-CE 3.47Å; E5-K49 IonicContact OE1-NZ 3.73Å; E5-K49 PolarHBondContact OE1-NZ 3.18Å; K6-K49 PolarHBondContact O-N 3.26Å; K49-P78 WeakPolarHBondContact O-CD 3.36Å; K49-C192 HydrophobicContact CB-CB 4.19Å; K49-C194 VanDerWaalsContact CB-SG 3.58Å
50	G	98.1	Very high	93.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	165.7	177.3	0	0	0	0	0	112	I7 I8 P78	I7-G50 WeakPolarHBondContact CA-O 3.43Å; I8-G50 PolarHBondContact N-O 3.48Å; I8-G50 VanDerWaalsContact N-O 3.08Å; G50-P78 WeakPolarHBondContact CA-O 3.48Å
51	I	98.4	Very high	93.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.4	179.7	-53	-177.1	0	0	0	109.3	I8 L10 V43 L53 I72 I77 P78 I79 L80	I8-I51 HydrophobicContact CD1-CD1 4.17Å; I8-I51 HydrophobicContact CD1-CG1 3.95Å; I8-I51 HydrophobicContact CD1-CG2 4.45Å; I8-I51 HydrophobicContact CG1-CB 4.24Å; I8-I51 HydrophobicContact CG1-CG1 3.8Å; I8-I51 HydrophobicContact CG1-CG2 4.17Å; I8-I51 CarbonylContact O-C 3.54Å; I8-I51 WeakPolarHBondContact O-CA 3.03Å; L10-I51 HydrophobicContact CD1-CG2 4.1Å; L10-I51 HydrophobicContact CG-CG2 3.98Å; V43-I51 HydrophobicContact CG1-CD1 3.99Å; I51-L53 HydrophobicContact CG2-CD2 3.7Å; I51-I72 HydrophobicContact CD1-CG2 3.44Å; I51-I72 VanDerWaalsContact CD1-CG2 3.44Å; I51-I77 HydrophobicContact CD1-CD1 3.51Å; I51-I77 HydrophobicContact CD1-CG1 4.16Å; I51-I77 HydrophobicContact CG1-CD1 3.77Å; I51-I77 HydrophobicContact CG1-CG1 4.33Å; I51-P78 PolarHBondContact N-O 3.21Å; I51-I79 HydrophobicContact CB-CG1 4.23Å; I51-I79 CarbonylContact O-C 3.56Å; I51-I79 VanDerWaalsContact O-CA 3.31Å; I51-I79 WeakPolarHBondContact O-CA 3.25Å; I51-L80 PolarHBondContact O-N 3.2Å
52	I	98.5	Very high	92.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.4	167	-56.5	176.2	0	0	0	108.7	I7 I8 V9 L10 I20 I24 L80 I82 F187	I7-I52 HydrophobicContact CG2-CD1 4.02Å; I7-I52 HydrophobicContact CG2-CG1 3.99Å; I8-I52 PolarHBondContact O-N 2.69Å; V9-I52 CarbonylContact C-O 3.54Å; V9-I52 WeakPolarHBondContact CA-O 3.27Å; V9-I52 HydrophobicContact CG1-CB 4.44Å; V9-I52 HydrophobicContact CG2-CB 4.31Å; L10-I52 PolarHBondContact N-O 3.36Å; I20-I52 HydrophobicContact CG2-CB 4.38Å; I20-I52 HydrophobicContact CG2-CD1 3.75Å; I20-I52 HydrophobicContact CG2-CG2 3.91Å; I24-I52 HydrophobicContact CD1-CD1 3.8Å; I24-I52 HydrophobicContact CG1-CD1 3.88Å; I52-L80 CarbonylContact C-O 3.49Å; I52-L80 VanDerWaalsContact CA-O 3.28Å; I52-L80 WeakPolarHBondContact CA-O 3.32Å; I52-L80 HydrophobicContact CG1-CB 4.36Å; I52-I82 HydrophobicContact CG2-CD1 3.83Å; I52-I82 HydrophobicContact CG2-CG1 4.15Å; I52-F187 HydrophobicContact CD1-CD1 4.16Å; I52-F187 HydrophobicContact CD1-CE1 4.12Å; I52-F187 HydrophobicContact CG1-CD1 4.11Å; I52-F187 HydrophobicContact CG1-CE1 3.61Å; I52-F187 HydrophobicContact CG1-CZ 4.44Å
53	L	97.8	Very high	92.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.2	171.8	-48.8	-178.4	0	0	0	107.8	L10 Y12 I51 I68 I79 L80 I82 I89	L10-L53 HydrophobicContact CB-CD2 4.13Å; L10-L53 HydrophobicContact CD1-CD2 3.66Å; L10-L53 HydrophobicContact CG-CD2 4.06Å; Y12-L53 HydrophobicContact CD2-CB 4.39Å; Y12-L53 HydrophobicContact CE2-CB 3.89Å; Y12-L53 HydrophobicContact CE2-CD2 4.04Å; Y12-L53 HydrophobicContact CE2-CG 4.47Å; I51-L53 HydrophobicContact CG2-CD2 3.7Å; L53-I68 HydrophobicContact CD1-CD1 4Å; L53-I68 HydrophobicContact CD2-CD1 3.71Å; L53-I79 HydrophobicContact CD1-CG2 4.02Å; L53-I79 HydrophobicContact CG-CG2 3.96Å; L53-L80 PolarHBondContact N-O 3.17Å; L53-I82 PolarHBondContact O-N 3.36Å; L53-I89 HydrophobicContact CD1-CD1 4.16Å; L53-I89 HydrophobicContact CD1-CG1 3.79Å
54	S	95.4	Very high	91.7	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.315	C	S	.	.			trans	-69.8	171.6	-175.7	79.5	0	0	0	0	113.1	L10 Y12 N17 I82 G85	L10-S54 VanDerWaalsContact O-CB 3.29Å; L10-S54 WeakPolarHBondContact O-CB 3.24Å; L10-S54 PolarHBondContact O-N 2.67Å; L10-S54 PolarHBondContact O-OG 2.73Å; L10-S54 VanDerWaalsContact O-OG 3.07Å; Y12-S54 PolarHBondContact N-OG 2.91Å; N17-S54 WeakPolarHBondContact OD1-CB 3.28Å; N17-S54 PolarHBondContact OD1-OG 3.31Å; S54-I82 CarbonylContact C-O 3.27Å; S54-I82 VanDerWaalsContact C-O 3.25Å; S54-G85 PolarHBondContact O-N 3.25Å; S54-G85 VanDerWaalsContact O-N 3.14Å
55	G	91.4	Very high	91.3	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.293	C	S	.	.			trans	-66.3	173.5	163.8	0	0	0	0	0	112.3	Y12 S14 I82	Y12-G55 CarbonylContact C-O 3.59Å; Y12-G55 WeakPolarHBondContact CB-O 3.36Å; S14-G55 WeakPolarHBondContact CB-O 3.43Å; S14-G55 PolarHBondContact N-O 3.43Å; G55-I82 VanDerWaalsContact CA-O 3.24Å; G55-I82 WeakPolarHBondContact CA-O 2.98Å; G55-I82 PolarHBondContact N-O 2.78Å; G55-I82 VanDerWaalsContact N-O 3.11Å
56	G	87.4	Confident	91.2	Very high	20 Å²	20	48.1 Å²	48.1	21%	0.206	27%	0.268	C	S	.	.			trans	-166.5	161.1	179.8	0	0	0	0	0	111.1	Y12 Y84	Y12-G56 WeakPolarHBondContact O-CA 3.46Å; G56-Y84 VanDerWaalsContact N-CB 3.27Å
57	P	81.8	Confident	91.1	Very high	103 Å²	103	48.5 Å²	48.5	67%	0.669	28%	0.277	S	S	*	.	S	Bend	trans	-82.2	-12.6	-177	32.9	-35.7	0	0	0	114
58	N	83.5	Confident	91.2	Very high	47 Å²	47	42.7 Å²	42.7	25%	0.251	25%	0.245	S	C	.	.	S	Bend	trans	-85.4	158.2	-170.7	-59	-36.3	0	0	0	112	Y84	N58-Y84 HydrophobicContact CB-CE2 3.97Å; N58-Y84 WeakPolarHBondContact O-CD2 3.33Å; N58-Y84 WeakPolarHBondContact O-CE2 3.47Å
59	S	87.8	Confident	91.1	Very high	15 Å²	15	44.6 Å²	44.6	11%	0.105	26%	0.255	C	S	.	.			trans	-80	148	156.8	-179.8	0	0	0	0	109.8	Y61 D62 A65 D135	S59-Y61 PolarHBondContact O-N 3.16Å; S59-Y61 PolarHBondContact OG-N 2.95Å; S59-D62 VanDerWaalsContact CB-CG 3.48Å; S59-D62 VanDerWaalsContact CB-OD2 3.29Å; S59-D62 WeakPolarHBondContact CB-OD2 3.41Å; S59-D62 PolarHBondContact N-OD2 3.13Å; S59-D62 PolarHBondContact O-N 2.81Å; S59-A65 WeakPolarHBondContact O-CB 3.47Å; S59-D135 WeakPolarHBondContact CB-OD2 3.46Å; S59-D135 PolarHBondContact OG-OD2 3.02Å
60	V	88.3	Confident	91.1	Very high	10 Å²	10	44.6 Å²	44.6	6%	0.061	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15	173.3	-65.5	0	0	0	0	113.1	Y84 Q87 L88 Y91 V97	V60-Y84 HydrophobicContact CB-CE2 4.48Å; V60-Y84 HydrophobicContact CG1-CD2 4.14Å; V60-Y84 HydrophobicContact CG1-CE2 3.62Å; V60-Q87 HydrophobicContact CG1-CB 3.71Å; V60-L88 HydrophobicContact CG1-CD1 4.35Å; V60-Y91 HydrophobicContact CB-CG 4.5Å; V60-Y91 HydrophobicContact CG2-CD2 4.45Å; V60-Y91 HydrophobicContact CG2-CG 4.39Å; V60-V97 HydrophobicContact CG2-CB 3.97Å; V60-V97 HydrophobicContact CG2-CG1 3.95Å; V60-V97 HydrophobicContact CG2-CG2 4.23Å
61	Y	87.5	Confident	91	Very high	110 Å²	110	50.7 Å²	50.7	43%	0.431	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-5.8	177.7	-61	-80.1	0	0	0	114.1	S59 Y91 V97	S59-Y61 PolarHBondContact O-N 3.16Å; S59-Y61 PolarHBondContact OG-N 2.95Å; Y61-Y91 HydrophobicContact CD1-CD2 4.39Å; Y61-Y91 AromaticContact CD1-CE2 3.91Å; Y61-Y91 HydrophobicContact CD1-CE2 3.91Å; Y61-Y91 AromaticContact CE1-CD2 3.68Å; Y61-Y91 HydrophobicContact CE1-CD2 3.68Å; Y61-Y91 AromaticContact CE1-CE2 3.42Å; Y61-Y91 HydrophobicContact CE1-CE2 3.42Å; Y61-Y91 VanDerWaalsContact CE1-CE2 3.42Å; Y61-Y91 AromaticContact CZ-CD2 3.84Å; Y61-V97 HydrophobicContact CE2-CB 3.77Å; Y61-V97 HydrophobicContact CE2-CG1 4.25Å; Y61-V97 WeakPolarHBondContact CE2-O 3.37Å; Y61-V97 PolarHBondContact OH-N 3.35Å; Y61-V97 PolarHBondContact OH-O 2.91Å
62	D	87.4	Confident	91	Very high	87 Å²	87	50.8 Å²	50.8	47%	0.465	29%	0.29	S	S	.	.	S	Bend	trans	-64.6	146.8	-179	-73.8	-26.5	0	0	0	111.2	S59 G64 A65	S59-D62 VanDerWaalsContact CB-CG 3.48Å; S59-D62 VanDerWaalsContact CB-OD2 3.29Å; S59-D62 WeakPolarHBondContact CB-OD2 3.41Å; S59-D62 PolarHBondContact N-OD2 3.13Å; S59-D62 PolarHBondContact O-N 2.81Å; D62-G64 PolarHBondContact O-N 2.91Å; D62-G64 VanDerWaalsContact O-N 3.16Å; D62-A65 HydrophobicContact CB-CB 4.31Å; D62-A65 WeakPolarHBondContact O-CB 3.41Å; D62-A65 PolarHBondContact O-N 3.07Å
63	E	83.3	Confident	90.9	Very high	207 Å²	207	51.7 Å²	51.7	97%	0.967	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	115.1	173.7	-161.8	174.2	-164.1	0	0	109.1
64	G	86.4	Confident	90.9	Very high	70 Å²	70	59.1 Å²	59.1	72%	0.722	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	10.8	-172.3	0	0	0	0	0	114.8	D62	D62-G64 PolarHBondContact O-N 2.91Å; D62-G64 VanDerWaalsContact O-N 3.16Å
65	A	88.5	Confident	90.9	Very high	26 Å²	26	61.4 Å²	61.4	22%	0.215	34%	0.34	C	S	.	.			trans	-51.5	140.2	170.6	0	0	0	0	0	111.8	S59 D62 S67	S59-A65 WeakPolarHBondContact O-CB 3.47Å; D62-A65 HydrophobicContact CB-CB 4.31Å; D62-A65 WeakPolarHBondContact O-CB 3.41Å; D62-A65 PolarHBondContact O-N 3.07Å; A65-S67 PolarHBondContact O-N 2.87Å
66	F	91.6	Very high	91.1	Very high	52 Å²	52	64.8 Å²	64.8	23%	0.228	38%	0.376	C	S	.	.			trans	-69.5	118.1	179.8	-64.9	-18.2	0	0	0	110.6	Y12 H36 Y84 T341	Y12-F66 HydrophobicContact CD1-CB 3.67Å; Y12-F66 HydrophobicContact CE1-CB 4.18Å; Y12-F66 WeakPolarHBondContact O-CD2 3.21Å; H36-F66 AromaticContact CE1-CD1 3.92Å; H36-F66 AromaticContact CE1-CG 3.92Å; H36-F66 AromaticContact NE2-CD1 3.77Å; H36-F66 AromaticContact NE2-CG 3.77Å; F66-Y84 HydrophobicContact CB-CE1 4.36Å; F66-Y84 PolarHBondContact N-OH 3.05Å; F66-Y84 WeakPolarHBondContact O-CE1 3.46Å; F66-Y84 PolarHBondContact O-OH 3.11Å; F66-T341 HydrophobicContact CE2-CG2 4.46Å; F66-T341 HydrophobicContact CZ-CG2 4.48Å
67	S	91.9	Very high	91.6	Very high	63 Å²	63	65.1 Å²	65.1	44%	0.441	37%	0.372	S	S	.	.			trans	-100.6	-178.3	-180	-163	0	0	0	0	112.3	H36 A65	H36-S67 PolarHBondContact ND1-O 2.94Å; A65-S67 PolarHBondContact O-N 2.87Å
68	I	95.3	Very high	92.4	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.041	35%	0.345	C	S	.	.			trans	-127.3	148.7	175.8	-169.1	168.9	0	0	0	109.2	L10 Y12 L53 P70 I72 F73 L88	L10-I68 HydrophobicContact CD1-CD1 4.4Å; Y12-I68 WeakPolarHBondContact OH-CB 3.46Å; L53-I68 HydrophobicContact CD1-CD1 4Å; L53-I68 HydrophobicContact CD2-CD1 3.71Å; I68-P70 WeakPolarHBondContact O-CD 3.39Å; I68-I72 HydrophobicContact CD1-CB 4.19Å; I68-I72 HydrophobicContact CD1-CD1 4.14Å; I68-I72 HydrophobicContact CD1-CG2 4.05Å; I68-I72 HydrophobicContact CG1-CB 4.33Å; I68-I72 HydrophobicContact CG1-CD1 3.74Å; I68-F73 HydrophobicContact CD1-CE2 4.49Å; I68-F73 HydrophobicContact CD1-CZ 4.07Å; I68-F73 HydrophobicContact CG2-CE2 3.63Å; I68-F73 HydrophobicContact CG2-CZ 3.87Å; I68-L88 HydrophobicContact CB-CD2 3.78Å; I68-L88 HydrophobicContact CG2-CD2 3.82Å; I68-L88 HydrophobicContact CG2-CG 4.05Å
69	D	96.3	Very high	93.1	Very high	46 Å²	46	58.7 Å²	58.7	25%	0.246	33%	0.333	C	S	.	.			trans	-62.7	113.5	165.6	179.9	-5.6	0	0	0	108.9	A40 K71 I72	A40-D69 WeakPolarHBondContact CB-OD2 3.32Å; A40-D69 PolarHBondContact N-OD2 3.42Å; D69-K71 PolarHBondContact O-N 3.37Å; D69-K71 WeakPolarHBondContact OD1-CB 3.46Å; D69-K71 PolarHBondContact OD1-N 3.14Å; D69-K71 VanDerWaalsContact OD1-N 3.08Å; D69-I72 HydrophobicContact CB-CD1 4.09Å; D69-I72 HydrophobicContact CB-CG1 4.19Å; D69-I72 VanDerWaalsContact O-CB 3.28Å; D69-I72 WeakPolarHBondContact O-CB 3.5Å; D69-I72 WeakPolarHBondContact O-CG1 3.37Å; D69-I72 PolarHBondContact O-N 2.91Å
70	P	95.7	Very high	93.6	Very high	73 Å²	73	58 Å²	58	47%	0.474	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-59.5	-24.5	-175	-24.4	35.4	0	0	0	113.4	I68 I72 F73	I68-P70 WeakPolarHBondContact O-CD 3.39Å; P70-I72 PolarHBondContact O-N 3.05Å; P70-F73 WeakPolarHBondContact O-CB 3.32Å; P70-F73 WeakPolarHBondContact O-CD2 3.25Å; P70-F73 PolarHBondContact O-N 3.13Å; P70-F73 VanDerWaalsContact O-N 3.11Å
71	K	97.2	Very high	94.1	Very high	128 Å²	128	57.5 Å²	57.5	56%	0.557	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-65.2	-16.7	176.3	-66.6	-179.8	-179.3	176	0	113	A40 D69 F73 E74	A40-K71 HydrophobicContact CB-CB 3.54Å; D69-K71 PolarHBondContact O-N 3.37Å; D69-K71 WeakPolarHBondContact OD1-CB 3.46Å; D69-K71 PolarHBondContact OD1-N 3.14Å; D69-K71 VanDerWaalsContact OD1-N 3.08Å; K71-F73 PolarHBondContact O-N 3.18Å; K71-E74 WeakPolarHBondContact O-CB 3.47Å; K71-E74 PolarHBondContact O-N 2.86Å
72	I	97.6	Very high	94.5	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-59.9	-35.8	173	-70.7	173.8	0	0	0	110.6	L10 I38 A40 V43 I51 I68 D69 P70 E74 L75 I79	L10-I72 HydrophobicContact CD1-CD1 4.45Å; I38-I72 HydrophobicContact CG2-CD1 4.45Å; A40-I72 HydrophobicContact CB-CG1 3.97Å; V43-I72 HydrophobicContact CG2-CD1 4.23Å; V43-I72 HydrophobicContact CG2-CG1 4.45Å; I51-I72 HydrophobicContact CD1-CG2 3.44Å; I51-I72 VanDerWaalsContact CD1-CG2 3.44Å; I68-I72 HydrophobicContact CD1-CB 4.19Å; I68-I72 HydrophobicContact CD1-CD1 4.14Å; I68-I72 HydrophobicContact CD1-CG2 4.05Å; I68-I72 HydrophobicContact CG1-CB 4.33Å; I68-I72 HydrophobicContact CG1-CD1 3.74Å; D69-I72 HydrophobicContact CB-CD1 4.09Å; D69-I72 HydrophobicContact CB-CG1 4.19Å; D69-I72 VanDerWaalsContact O-CB 3.28Å; D69-I72 WeakPolarHBondContact O-CB 3.5Å; D69-I72 WeakPolarHBondContact O-CG1 3.37Å; D69-I72 PolarHBondContact O-N 2.91Å; P70-I72 PolarHBondContact O-N 3.05Å; I72-E74 PolarHBondContact O-N 3.39Å; I72-L75 HydrophobicContact CG1-CD1 4.41Å; I72-L75 HydrophobicContact CG2-CD1 4.47Å; I72-L75 PolarHBondContact O-N 3.09Å; I72-I79 HydrophobicContact CG2-CD1 4.16Å
73	F	97.4	Very high	94.8	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.088	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-68.7	-9.9	175.1	-59	-62.1	0	0	0	113.5	I68 P70 K71 I79 I89 N92 L93 F165	I68-F73 HydrophobicContact CD1-CE2 4.49Å; I68-F73 HydrophobicContact CD1-CZ 4.07Å; I68-F73 HydrophobicContact CG2-CE2 3.63Å; I68-F73 HydrophobicContact CG2-CZ 3.87Å; P70-F73 WeakPolarHBondContact O-CB 3.32Å; P70-F73 WeakPolarHBondContact O-CD2 3.25Å; P70-F73 PolarHBondContact O-N 3.13Å; P70-F73 VanDerWaalsContact O-N 3.11Å; K71-F73 PolarHBondContact O-N 3.18Å; F73-I79 HydrophobicContact CD1-CD1 3.68Å; F73-I79 HydrophobicContact CE1-CD1 4.07Å; F73-I89 HydrophobicContact CE1-CG1 3.94Å; F73-I89 HydrophobicContact CZ-CG1 4.35Å; F73-N92 HydrophobicContact CD2-CB 4.4Å; F73-N92 HydrophobicContact CE2-CB 3.66Å; F73-N92 HydrophobicContact CZ-CB 4.33Å; F73-L93 HydrophobicContact CB-CD2 4.41Å; F73-L93 HydrophobicContact CD2-CD2 4.33Å; F73-L93 HydrophobicContact CG-CD2 4.26Å; F73-F165 HydrophobicContact CB-CE2 4.19Å; F73-F165 HydrophobicContact CB-CZ 4.29Å; F73-F165 HydrophobicContact CD1-CE2 4.1Å; F73-F165 HydrophobicContact CD1-CZ 4.35Å; F73-F165 WeakPolarHBondContact O-CZ 3.23Å
74	E	96.6	Very high	95.4	Very high	155 Å²	155	38.6 Å²	38.6	72%	0.724	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-101.1	-3.9	-179.5	-57.4	176.7	-175.6	0	0	112.6	K71 I72 G76	K71-E74 WeakPolarHBondContact O-CB 3.47Å; K71-E74 PolarHBondContact O-N 2.86Å; I72-E74 PolarHBondContact O-N 3.39Å; E74-G76 PolarHBondContact O-N 3.08Å
75	L	96.5	Very high	95.9	Very high	48 Å²	48	35.2 Å²	35.2	25%	0.251	20%	0.204	S	C	.	.	S	Bend	trans	-71.9	-13.2	-175.3	-68.5	177.5	0	0	0	114.1	A40 V43 K44 I72 I77	A40-L75 HydrophobicContact CB-CD1 4.38Å; A40-L75 HydrophobicContact CB-CD2 4.38Å; V43-L75 HydrophobicContact CB-CD1 3.86Å; V43-L75 HydrophobicContact CG1-CD1 3.47Å; V43-L75 VanDerWaalsContact CG1-CD1 3.47Å; K44-L75 HydrophobicContact CB-CD2 4.12Å; K44-L75 HydrophobicContact CD-CD2 4.44Å; I72-L75 HydrophobicContact CG1-CD1 4.41Å; I72-L75 HydrophobicContact CG2-CD1 4.47Å; I72-L75 PolarHBondContact O-N 3.09Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 HydrophobicContact CB-CD1 3.92Å; L75-I77 HydrophobicContact CB-CG1 3.87Å; L75-I77 HydrophobicContact CD1-CD1 3.94Å; L75-I77 PolarHBondContact O-N 3.17Å
76	G	96	Very high	96.3	Very high	72 Å²	72	34 Å²	34	74%	0.742	19%	0.194	S	C	*	.			trans	71.5	24.4	179.5	0	0	0	0	0	114	E74	E74-G76 PolarHBondContact O-N 3.08Å
77	I	96.6	Very high	96.5	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.138	18%	0.184	C	C	.	.			trans	-110.9	144.6	177.3	54.7	-173.8	0	0	0	110.1	V43 P48 I51 L75	V43-I77 HydrophobicContact CG1-CD1 3.94Å; P48-I77 HydrophobicContact CG-CD1 4.07Å; I51-I77 HydrophobicContact CD1-CD1 3.51Å; I51-I77 HydrophobicContact CD1-CG1 4.16Å; I51-I77 HydrophobicContact CG1-CD1 3.77Å; I51-I77 HydrophobicContact CG1-CG1 4.33Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 HydrophobicContact CB-CD1 3.92Å; L75-I77 HydrophobicContact CB-CG1 3.87Å; L75-I77 HydrophobicContact CD1-CD1 3.94Å; L75-I77 PolarHBondContact O-N 3.17Å
78	P	98.5	Very high	96.7	Very high	14 Å²	14	28.9 Å²	28.9	9%	0.091	16%	0.164	C	C	.	.			trans	-56.5	142.9	176.9	-26.8	34.4	0	0	0	113.8	K49 G50 I51 N164 F187 V191	K49-P78 WeakPolarHBondContact O-CD 3.36Å; G50-P78 WeakPolarHBondContact CA-O 3.48Å; I51-P78 PolarHBondContact N-O 3.21Å; P78-N164 VanDerWaalsContact CA-O 3.31Å; P78-N164 WeakPolarHBondContact CA-O 3.48Å; P78-N164 HydrophobicContact CB-CB 3.94Å; P78-N164 HydrophobicContact CG-CB 3.94Å; P78-F187 HydrophobicContact CB-CE2 3.99Å; P78-F187 HydrophobicContact CB-CZ 4.25Å; P78-V191 HydrophobicContact CB-CG1 3.69Å; P78-V191 HydrophobicContact CG-CG1 3.95Å
79	I	98.7	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.9	179.3	-56.6	-178.9	0	0	0	109.8	I51 L53 I72 F73 I89 N164 F165 F166	I51-I79 HydrophobicContact CB-CG1 4.23Å; I51-I79 CarbonylContact O-C 3.56Å; I51-I79 VanDerWaalsContact O-CA 3.31Å; I51-I79 WeakPolarHBondContact O-CA 3.25Å; L53-I79 HydrophobicContact CD1-CG2 4.02Å; L53-I79 HydrophobicContact CG-CG2 3.96Å; I72-I79 HydrophobicContact CG2-CD1 4.16Å; F73-I79 HydrophobicContact CD1-CD1 3.68Å; F73-I79 HydrophobicContact CE1-CD1 4.07Å; I79-I89 HydrophobicContact CG2-CD1 3.99Å; I79-N164 PolarHBondContact N-O 3Å; I79-F165 HydrophobicContact CB-CD1 3.77Å; I79-F165 HydrophobicContact CB-CE1 4.11Å; I79-F165 HydrophobicContact CB-CG 4.48Å; I79-F165 HydrophobicContact CD1-CD1 4.19Å; I79-F165 HydrophobicContact CD1-CE1 3.68Å; I79-F165 HydrophobicContact CD1-CZ 4Å; I79-F165 HydrophobicContact CG1-CD1 3.92Å; I79-F165 HydrophobicContact CG1-CE1 3.71Å; I79-F165 CarbonylContact O-C 3.52Å; I79-F165 WeakPolarHBondContact O-CA 3.46Å; I79-F166 PolarHBondContact O-N 2.7Å
80	L	98.7	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.3	168.9	171.5	61.8	0	0	0	109.9	I51 I52 L53 I82 L119 F166 I168 L183 L184 F187	I51-L80 PolarHBondContact O-N 3.2Å; I52-L80 CarbonylContact C-O 3.49Å; I52-L80 VanDerWaalsContact CA-O 3.28Å; I52-L80 WeakPolarHBondContact CA-O 3.32Å; I52-L80 HydrophobicContact CG1-CB 4.36Å; L53-L80 PolarHBondContact N-O 3.17Å; L80-I82 HydrophobicContact CD2-CD1 4.47Å; L80-I82 HydrophobicContact CD2-CG1 4.44Å; L80-I82 HydrophobicContact CG-CG1 4.22Å; L80-L119 HydrophobicContact CD1-CD1 3.94Å; L80-F166 CarbonylContact C-O 3.58Å; L80-F166 WeakPolarHBondContact CA-O 3.17Å; L80-F166 HydrophobicContact CD1-CB 3.87Å; L80-I168 HydrophobicContact CD1-CG1 4.36Å; L80-L183 HydrophobicContact CD2-CD2 4.19Å; L80-L184 HydrophobicContact CD2-CD2 3.92Å; L80-F187 HydrophobicContact CB-CD1 4.22Å; L80-F187 HydrophobicContact CB-CD2 3.83Å; L80-F187 HydrophobicContact CB-CE1 4Å; L80-F187 HydrophobicContact CB-CE2 3.6Å; L80-F187 HydrophobicContact CB-CG 4.14Å; L80-F187 HydrophobicContact CB-CZ 3.68Å; L80-F187 HydrophobicContact CD2-CB 4.33Å; L80-F187 HydrophobicContact CD2-CD1 4.23Å; L80-F187 HydrophobicContact CD2-CD2 4.45Å; L80-F187 HydrophobicContact CD2-CG 4.07Å
81	G	97.9	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129	171	0	0	0	0	0	112.3	G85 F166 G167 I168	G81-G85 VanDerWaalsContact CA-C 3.49Å; G81-F166 PolarHBondContact N-O 3.28Å; G81-G167 CarbonylContact O-C 3.48Å; G81-G167 WeakPolarHBondContact O-CA 3.27Å; G81-I168 PolarHBondContact O-N 3.4Å
82	I	96.8	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.9	176.8	-57.3	-176.9	0	0	0	109	I20 I52 L53 S54 G55 L80 Y84 G85 I168 F170 L184	I20-I82 HydrophobicContact CD1-CD1 3.92Å; I20-I82 HydrophobicContact CG1-CD1 4.23Å; I52-I82 HydrophobicContact CG2-CD1 3.83Å; I52-I82 HydrophobicContact CG2-CG1 4.15Å; L53-I82 PolarHBondContact O-N 3.36Å; S54-I82 CarbonylContact C-O 3.27Å; S54-I82 VanDerWaalsContact C-O 3.25Å; G55-I82 VanDerWaalsContact CA-O 3.24Å; G55-I82 WeakPolarHBondContact CA-O 2.98Å; G55-I82 PolarHBondContact N-O 2.78Å; G55-I82 VanDerWaalsContact N-O 3.11Å; L80-I82 HydrophobicContact CD2-CD1 4.47Å; L80-I82 HydrophobicContact CD2-CG1 4.44Å; L80-I82 HydrophobicContact CG-CG1 4.22Å; I82-Y84 PolarHBondContact O-N 2.83Å; I82-G85 PolarHBondContact O-N 3.27Å; I82-I168 HydrophobicContact CB-CG1 4.47Å; I82-I168 HydrophobicContact CG1-CD1 4.17Å; I82-I168 HydrophobicContact CG1-CG1 4.11Å; I82-I168 HydrophobicContact CG2-CG1 4.49Å; I82-F170 WeakPolarHBondContact CG2-O 3.24Å; I82-L184 HydrophobicContact CD1-CD2 4.43Å
83	C	94.3	Very high	96.8	Very high	6 Å²	6	26 Å²	26	4%	0.041	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-104.1	-178.2	-174.6	0	0	0	0	112.3	G85 M86 Q87 S132 I168 Q169	C83-G85 PolarHBondContact O-N 3.02Å; C83-M86 WeakPolarHBondContact O-CB 3.09Å; C83-M86 PolarHBondContact O-N 3.39Å; C83-Q87 PolarHBondContact O-N 3.21Å; C83-Q87 VanDerWaalsContact O-N 3.11Å; C83-S132 PolarHBondContact SG-O 2.73Å; C83-I168 PolarHBondContact N-O 2.86Å; C83-Q169 PolarHBondContact SG-NE2 3.45Å; C83-Q169 VanDerWaalsContact SG-NE2 3.42Å
84	Y	94.8	Very high	96.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-54.1	-39	174.3	-171.1	-99.3	0	0	0	112.5	Y12 G56 N58 V60 F66 I82 M86 Q87 L88	Y12-Y84 AromaticContact CD1-CD1 3.75Å; Y12-Y84 HydrophobicContact CD1-CD1 3.75Å; Y12-Y84 AromaticContact CD1-CE1 3.53Å; Y12-Y84 HydrophobicContact CD1-CE1 3.53Å; Y12-Y84 HydrophobicContact CE1-CE1 4.16Å; Y12-Y84 AromaticContact CG-CD1 3.76Å; Y12-Y84 HydrophobicContact CG-CD1 3.76Å; Y12-Y84 HydrophobicContact CG-CE1 4.04Å; G56-Y84 VanDerWaalsContact N-CB 3.27Å; N58-Y84 HydrophobicContact CB-CE2 3.97Å; N58-Y84 WeakPolarHBondContact O-CD2 3.33Å; N58-Y84 WeakPolarHBondContact O-CE2 3.47Å; V60-Y84 HydrophobicContact CB-CE2 4.48Å; V60-Y84 HydrophobicContact CG1-CD2 4.14Å; V60-Y84 HydrophobicContact CG1-CE2 3.62Å; F66-Y84 HydrophobicContact CB-CE1 4.36Å; F66-Y84 PolarHBondContact N-OH 3.05Å; F66-Y84 WeakPolarHBondContact O-CE1 3.46Å; F66-Y84 PolarHBondContact O-OH 3.11Å; I82-Y84 PolarHBondContact O-N 2.83Å; Y84-M86 VanDerWaalsContact C-N 3.33Å; Y84-M86 PolarHBondContact O-N 3.42Å; Y84-Q87 CarbonylContact O-C 3.6Å; Y84-Q87 WeakPolarHBondContact O-CB 3.41Å; Y84-Q87 PolarHBondContact O-N 3.32Å; Y84-Q87 VanDerWaalsContact O-N 3.15Å; Y84-L88 HydrophobicContact CE1-CD1 4.37Å; Y84-L88 HydrophobicContact CE1-CD2 4.46Å; Y84-L88 WeakPolarHBondContact O-CB 3.29Å; Y84-L88 PolarHBondContact O-N 3.5Å
85	G	96.4	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-40.6	175.2	0	0	0	0	0	113.2	S54 G81 I82 C83 L88 I89	S54-G85 PolarHBondContact O-N 3.25Å; S54-G85 VanDerWaalsContact O-N 3.14Å; G81-G85 VanDerWaalsContact CA-C 3.49Å; I82-G85 PolarHBondContact O-N 3.27Å; C83-G85 PolarHBondContact O-N 3.02Å; G85-L88 PolarHBondContact O-N 2.93Å; G85-I89 VanDerWaalsContact O-CG1 3.3Å; G85-I89 WeakPolarHBondContact O-CG1 3.46Å; G85-I89 PolarHBondContact O-N 3.19Å
86	M	97.2	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-40.3	175	169.8	175.8	167.5	0	0	111.4	C83 Y84 L88 T90 V137 I155 I158 I168 Q169	C83-M86 WeakPolarHBondContact O-CB 3.09Å; C83-M86 PolarHBondContact O-N 3.39Å; Y84-M86 VanDerWaalsContact C-N 3.33Å; Y84-M86 PolarHBondContact O-N 3.42Å; M86-L88 VanDerWaalsContact C-N 3.33Å; M86-T90 WeakPolarHBondContact O-CB 3.49Å; M86-T90 PolarHBondContact O-N 3.08Å; M86-T90 PolarHBondContact O-OG1 3.31Å; M86-V137 HydrophobicContact CE-CB 4.03Å; M86-V137 HydrophobicContact CE-CG2 3.64Å; M86-V137 HydrophobicContact CG-CG2 4.28Å; M86-I155 HydrophobicContact CE-CG2 3.92Å; M86-I155 WeakPolarHBondContact CE-O 3.35Å; M86-I158 HydrophobicContact CE-CD1 4.23Å; M86-I158 HydrophobicContact CE-CG1 4.06Å; M86-I158 HydrophobicContact CE-CG2 3.85Å; M86-I158 HydrophobicContact CG-CD1 4.16Å; M86-I158 HydrophobicContact CG-CG1 4.34Å; M86-I158 HydrophobicContact SD-CG1 4.45Å; M86-I168 PolarHBondContact SD-N 3.24Å; M86-I168 VanDerWaalsContact SD-N 3.45Å; M86-Q169 HydrophobicContact SD-CB 4.1Å; M86-Q169 PolarHBondContact SD-N 2.84Å
87	Q	96.2	Very high	96.6	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.023	11%	0.111	C	C	.	.	H	α-helix	trans	-65.2	-39.5	176.6	-65	165.5	1.3	0	0	111	V60 C83 Y84 T90 Y91 V97 D135	V60-Q87 HydrophobicContact CG1-CB 3.71Å; C83-Q87 PolarHBondContact O-N 3.21Å; C83-Q87 VanDerWaalsContact O-N 3.11Å; Y84-Q87 CarbonylContact O-C 3.6Å; Y84-Q87 WeakPolarHBondContact O-CB 3.41Å; Y84-Q87 PolarHBondContact O-N 3.32Å; Y84-Q87 VanDerWaalsContact O-N 3.15Å; Q87-T90 WeakPolarHBondContact O-CB 3.32Å; Q87-T90 PolarHBondContact O-N 3.02Å; Q87-Y91 WeakPolarHBondContact O-CB 3.37Å; Q87-Y91 PolarHBondContact O-N 3.2Å; Q87-V97 HydrophobicContact CB-CG1 4.27Å; Q87-V97 HydrophobicContact CB-CG2 4.01Å; Q87-V97 HydrophobicContact CG-CG1 4.07Å; Q87-V97 HydrophobicContact CG-CG2 4.32Å; Q87-D135 PolarHBondContact NE2-O 2.87Å
88	L	96.1	Very high	96.3	Very high	3 Å²	3	22 Å²	22	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-42.6	179.4	-165.4	68.9	0	0	0	112	Y12 V60 I68 Y84 G85 M86 T90 N92	Y12-L88 HydrophobicContact CD1-CD2 4.34Å; Y12-L88 HydrophobicContact CE1-CD2 3.45Å; Y12-L88 VanDerWaalsContact CE1-CD2 3.45Å; Y12-L88 HydrophobicContact CE2-CD2 4.2Å; Y12-L88 VanDerWaalsContact OH-CD2 3.3Å; Y12-L88 WeakPolarHBondContact OH-CD2 3.49Å; V60-L88 HydrophobicContact CG1-CD1 4.35Å; I68-L88 HydrophobicContact CB-CD2 3.78Å; I68-L88 HydrophobicContact CG2-CD2 3.82Å; I68-L88 HydrophobicContact CG2-CG 4.05Å; Y84-L88 HydrophobicContact CE1-CD1 4.37Å; Y84-L88 HydrophobicContact CE1-CD2 4.46Å; Y84-L88 WeakPolarHBondContact O-CB 3.29Å; Y84-L88 PolarHBondContact O-N 3.5Å; G85-L88 PolarHBondContact O-N 2.93Å; M86-L88 VanDerWaalsContact C-N 3.33Å; L88-T90 VanDerWaalsContact C-N 3.31Å; L88-N92 WeakPolarHBondContact O-CB 3.25Å; L88-N92 PolarHBondContact O-N 3.2Å; L88-N92 PolarHBondContact O-ND2 2.9Å
89	I	97.5	Very high	95.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.4	-49.9	169.8	-68.7	167.2	0	0	0	109.4	L53 F73 I79 G85 Y91 L93 F144 F166	L53-I89 HydrophobicContact CD1-CD1 4.16Å; L53-I89 HydrophobicContact CD1-CG1 3.79Å; F73-I89 HydrophobicContact CE1-CG1 3.94Å; F73-I89 HydrophobicContact CZ-CG1 4.35Å; I79-I89 HydrophobicContact CG2-CD1 3.99Å; G85-I89 VanDerWaalsContact O-CG1 3.3Å; G85-I89 WeakPolarHBondContact O-CG1 3.46Å; G85-I89 PolarHBondContact O-N 3.19Å; I89-Y91 PolarHBondContact O-N 3.48Å; I89-L93 HydrophobicContact CG2-CD1 3.84Å; I89-L93 WeakPolarHBondContact O-CB 3.43Å; I89-L93 WeakPolarHBondContact O-CG 3.06Å; I89-L93 PolarHBondContact O-N 2.87Å; I89-L93 VanDerWaalsContact O-N 3.1Å; I89-F144 HydrophobicContact CG2-CE1 4.12Å; I89-F144 HydrophobicContact CG2-CZ 3.73Å; I89-F166 WeakPolarHBondContact CD1-O 3.44Å
90	T	97.4	Very high	95	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.2	-48.8	-176.8	-61.8	0	0	0	0	111.5	M86 Q87 L88 L93 G94 G95 V97 V137 P141	M86-T90 WeakPolarHBondContact O-CB 3.49Å; M86-T90 PolarHBondContact O-N 3.08Å; M86-T90 PolarHBondContact O-OG1 3.31Å; Q87-T90 WeakPolarHBondContact O-CB 3.32Å; Q87-T90 PolarHBondContact O-N 3.02Å; L88-T90 VanDerWaalsContact C-N 3.31Å; T90-L93 PolarHBondContact O-N 2.71Å; T90-G94 PolarHBondContact O-N 3.31Å; T90-G95 WeakPolarHBondContact O-CA 3.46Å; T90-G95 PolarHBondContact O-N 3.45Å; T90-V97 HydrophobicContact CG2-CG2 3.9Å; T90-V137 HydrophobicContact CG2-CB 4.42Å; T90-V137 HydrophobicContact CG2-CG1 3.72Å; T90-V137 HydrophobicContact CG2-CG2 3.94Å; T90-V137 WeakPolarHBondContact OG1-CG2 3.49Å; T90-P141 HydrophobicContact CG2-CG 4.2Å
91	Y	95.9	Very high	93.8	Very high	103 Å²	103	36.7 Å²	36.7	40%	0.404	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-48.8	-178.5	175.7	-102.5	0	0	0	112.2	V60 Y61 Q87 I89 L93 G94	V60-Y91 HydrophobicContact CB-CG 4.5Å; V60-Y91 HydrophobicContact CG2-CD2 4.45Å; V60-Y91 HydrophobicContact CG2-CG 4.39Å; Y61-Y91 HydrophobicContact CD1-CD2 4.39Å; Y61-Y91 AromaticContact CD1-CE2 3.91Å; Y61-Y91 HydrophobicContact CD1-CE2 3.91Å; Y61-Y91 AromaticContact CE1-CD2 3.68Å; Y61-Y91 HydrophobicContact CE1-CD2 3.68Å; Y61-Y91 AromaticContact CE1-CE2 3.42Å; Y61-Y91 HydrophobicContact CE1-CE2 3.42Å; Y61-Y91 VanDerWaalsContact CE1-CE2 3.42Å; Y61-Y91 AromaticContact CZ-CD2 3.84Å; Q87-Y91 WeakPolarHBondContact O-CB 3.37Å; Q87-Y91 PolarHBondContact O-N 3.2Å; I89-Y91 PolarHBondContact O-N 3.48Å; Y91-L93 VanDerWaalsContact C-N 3.29Å; Y91-L93 PolarHBondContact O-N 3.05Å; Y91-G94 PolarHBondContact O-N 3.21Å
92	N	95.8	Very high	92.5	Very high	49 Å²	49	41.9 Å²	41.9	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-70.7	-24.4	-176.7	-78	-85.5	0	0	0	113.2	F73 L88	F73-N92 HydrophobicContact CD2-CB 4.4Å; F73-N92 HydrophobicContact CE2-CB 3.66Å; F73-N92 HydrophobicContact CZ-CB 4.33Å; L88-N92 WeakPolarHBondContact O-CB 3.25Å; L88-N92 PolarHBondContact O-N 3.2Å; L88-N92 PolarHBondContact O-ND2 2.9Å
93	L	96.8	Very high	91.1	Very high	42 Å²	42	50.5 Å²	50.5	22%	0.22	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	13.8	-179.2	-58.1	-178.3	0	0	0	113.5	F73 I89 T90 Y91 P141 F144 F165	F73-L93 HydrophobicContact CB-CD2 4.41Å; F73-L93 HydrophobicContact CD2-CD2 4.33Å; F73-L93 HydrophobicContact CG-CD2 4.26Å; I89-L93 HydrophobicContact CG2-CD1 3.84Å; I89-L93 WeakPolarHBondContact O-CB 3.43Å; I89-L93 WeakPolarHBondContact O-CG 3.06Å; I89-L93 PolarHBondContact O-N 2.87Å; I89-L93 VanDerWaalsContact O-N 3.1Å; T90-L93 PolarHBondContact O-N 2.71Å; Y91-L93 VanDerWaalsContact C-N 3.29Å; Y91-L93 PolarHBondContact O-N 3.05Å; L93-P141 HydrophobicContact CB-CB 3.77Å; L93-P141 HydrophobicContact CB-CG 4.1Å; L93-P141 WeakPolarHBondContact O-CB 3.27Å; L93-F144 HydrophobicContact CD1-CE2 3.67Å; L93-F144 HydrophobicContact CD1-CZ 3.89Å; L93-F165 HydrophobicContact CD1-CD2 4.03Å; L93-F165 HydrophobicContact CD1-CE2 4.32Å
94	G	95.4	Very high	89.8	Confident	58 Å²	58	51.5 Å²	51.5	60%	0.598	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	13.4	171.5	0	0	0	0	0	115.5	T90 Y91	T90-G94 PolarHBondContact O-N 3.31Å; Y91-G94 PolarHBondContact O-N 3.21Å
95	G	96.2	Very high	88.8	Confident	12 Å²	12	58.2 Å²	58.2	12%	0.124	29%	0.287	C	S	.	.			trans	-76.5	-172.7	165.4	0	0	0	0	0	112.3	T90 Q139	T90-G95 WeakPolarHBondContact O-CA 3.46Å; T90-G95 PolarHBondContact O-N 3.45Å; G95-Q139 CarbonylContact C-O 3.56Å; G95-Q139 VanDerWaalsContact CA-O 3.28Å; G95-Q139 WeakPolarHBondContact CA-O 3.47Å
96	K	96	Very high	88	Confident	91 Å²	91	58.8 Å²	58.8	40%	0.396	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130	-178.8	-158.6	-177.7	-171.9	-161	0	111.3	E98 T138 Q139	K96-E98 HydrophobicContact CD-CG 4.49Å; K96-E98 WeakPolarHBondContact CE-OE1 3.32Å; K96-E98 HydrophobicContact CG-CG 4.45Å; K96-E98 IonicContact NZ-OE1 3.2Å; K96-E98 PolarHBondContact NZ-OE1 3.14Å; K96-T138 PolarHBondContact O-N 2.92Å; K96-T138 PolarHBondContact O-OG1 2.79Å; K96-Q139 HydrophobicContact CB-CB 3.65Å; K96-Q139 PolarHBondContact N-O 2.83Å; K96-Q139 PolarHBondContact O-N 3.34Å
97	V	94.5	Very high	87.5	Confident	3 Å²	3	65 Å²	65	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141	172.5	178.4	0	0	0	0	107.4	V60 Y61 Q87 T90 D135 L136 V137	V60-V97 HydrophobicContact CG2-CB 3.97Å; V60-V97 HydrophobicContact CG2-CG1 3.95Å; V60-V97 HydrophobicContact CG2-CG2 4.23Å; Y61-V97 HydrophobicContact CE2-CB 3.77Å; Y61-V97 HydrophobicContact CE2-CG1 4.25Å; Y61-V97 WeakPolarHBondContact CE2-O 3.37Å; Y61-V97 PolarHBondContact OH-N 3.35Å; Y61-V97 PolarHBondContact OH-O 2.91Å; Q87-V97 HydrophobicContact CB-CG1 4.27Å; Q87-V97 HydrophobicContact CB-CG2 4.01Å; Q87-V97 HydrophobicContact CG-CG1 4.07Å; Q87-V97 HydrophobicContact CG-CG2 4.32Å; T90-V97 HydrophobicContact CG2-CG2 3.9Å; V97-D135 HydrophobicContact CG1-CB 3.76Å; V97-L136 CarbonylContact C-O 3.55Å; V97-L136 WeakPolarHBondContact CA-O 3.41Å; V97-V137 HydrophobicContact CG2-CG2 4.22Å
98	E	92.3	Very high	87.2	Confident	74 Å²	74	65.3 Å²	65.3	35%	0.346	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.2	176.2	-65.4	-174.2	171.4	0	0	110.3	K96 A100 D135 L136 T138	K96-E98 HydrophobicContact CD-CG 4.49Å; K96-E98 WeakPolarHBondContact CE-OE1 3.32Å; K96-E98 HydrophobicContact CG-CG 4.45Å; K96-E98 IonicContact NZ-OE1 3.2Å; K96-E98 PolarHBondContact NZ-OE1 3.14Å; E98-A100 PolarHBondContact O-N 3.3Å; E98-D135 CarbonylContact O-C 3.59Å; E98-D135 WeakPolarHBondContact O-CA 3.24Å; E98-L136 PolarHBondContact N-O 2.91Å; E98-L136 PolarHBondContact O-N 3.02Å; E98-T138 HydrophobicContact CB-CG2 3.92Å; E98-T138 HydrophobicContact CG-CG2 3.92Å
99	P	87.9	Confident	87.2	Confident	97 Å²	97	68.8 Å²	68.8	63%	0.63	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	131	170.4	-23.7	33.6	0	0	0	111.3	D135	P99-D135 WeakPolarHBondContact CA-OD1 3.28Å
100	A	81.8	Confident	87.2	Confident	16 Å²	16	68.8 Å²	68.8	13%	0.132	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.4	177.4	0	0	0	0	0	110.4	E98 N102 G134 L136	E98-A100 PolarHBondContact O-N 3.3Å; A100-N102 VanDerWaalsContact C-N 3.27Å; A100-N102 WeakPolarHBondContact CB-O 3.31Å; A100-N102 PolarHBondContact O-N 2.93Å; A100-G134 VanDerWaalsContact CB-O 3.26Å; A100-G134 WeakPolarHBondContact CB-O 3.39Å; A100-G134 PolarHBondContact N-O 2.9Å; A100-L136 HydrophobicContact CB-CD2 3.71Å; A100-L136 HydrophobicContact CB-CG 4.27Å
101	K	73.4	Confident	87.2	Confident	210 Å²	210	74 Å²	74	91%	0.913	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	-33.9	174.6	-70.2	-177.5	-178.8	175.7	0	112.1
102	N	69.8	Low	87.3	Confident	109 Å²	109	69.5 Å²	69.5	58%	0.583	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	123.4	173.1	-65.4	-27.9	0	0	0	107.3	A100 E104	A100-N102 VanDerWaalsContact C-N 3.27Å; A100-N102 WeakPolarHBondContact CB-O 3.31Å; A100-N102 PolarHBondContact O-N 2.93Å; N102-E104 PolarHBondContact O-N 3.45Å
103	R	68.3	Low	87.3	Confident	181 Å²	181	70.2 Å²	70.2	68%	0.683	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.6	171.4	-60.5	-176.4	168.2	-177.8	-7.7	108	Y105	R103-Y105 HydrophobicContact CB-CD2 4.02Å; R103-Y105 HydrophobicContact CB-CE2 3.4Å; R103-Y105 VanDerWaalsContact CB-CE2 3.4Å; R103-Y105 HydrophobicContact CG-CE2 4.31Å
104	E	67.3	Low	87.1	Confident	28 Å²	28	68.6 Å²	68.6	13%	0.131	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.6	-179.6	-163.6	172.2	-162.4	0	0	108.6	N102 A108 M131 S132 H133	N102-E104 PolarHBondContact O-N 3.45Å; E104-A108 VanDerWaalsContact OE1-CB 3.26Å; E104-A108 WeakPolarHBondContact OE1-CB 3.36Å; E104-M131 HydrophobicContact CB-CB 4.32Å; E104-M131 HydrophobicContact CG-CB 3.91Å; E104-M131 HydrophobicContact CG-CG 4.45Å; E104-M131 CarbonylContact O-C 3.6Å; E104-S132 WeakPolarHBondContact O-CA 3.47Å; E104-H133 PolarHBondContact N-O 3.31Å; E104-H133 PolarHBondContact O-N 3.01Å; E104-H133 VanDerWaalsContact O-N 3.15Å; E104-H133 IonicContact OE2-NE2 2.68Å
105	Y	71.9	Confident	86.8	Confident	142 Å²	142	72.6 Å²	72.6	56%	0.557	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	107.9	174.2	-60.6	-74.3	0	0	0	108.3	R103 M131	R103-Y105 HydrophobicContact CB-CD2 4.02Å; R103-Y105 HydrophobicContact CB-CE2 3.4Å; R103-Y105 VanDerWaalsContact CB-CE2 3.4Å; R103-Y105 HydrophobicContact CG-CE2 4.31Å; Y105-M131 WeakPolarHBondContact CA-O 3.31Å
106	G	80.5	Confident	86.6	Confident	12 Å²	12	77.9 Å²	77.9	12%	0.124	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.9	-164.6	176.7	0	0	0	0	0	114.5	W130 M131	G106-W130 VanDerWaalsContact C-CE3 3.47Å; G106-M131 PolarHBondContact N-O 3.36Å; G106-M131 PolarHBondContact O-N 2.97Å
107	Q	86.6	Confident	86.6	Confident	131 Å²	131	73.9 Å²	73.9	61%	0.612	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	132.5	175.8	-75	176.5	-25.3	0	0	110.8	T128 V129 W130	Q107-T128 HydrophobicContact CB-CG2 4.1Å; Q107-T128 HydrophobicContact CG-CG2 4Å; Q107-V129 WeakPolarHBondContact CA-O 3.2Å; Q107-W130 HydrophobicContact CG-CE3 3.85Å; Q107-W130 HydrophobicContact CG-CZ3 3.9Å
108	A	90.4	Very high	86.7	Confident	10 Å²	10	76.5 Å²	76.5	8%	0.083	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.8	173.2	0	0	0	0	0	110	E104 V129 M131	E104-A108 VanDerWaalsContact OE1-CB 3.26Å; E104-A108 WeakPolarHBondContact OE1-CB 3.36Å; A108-V129 HydrophobicContact CB-CG2 4.48Å; A108-V129 PolarHBondContact N-O 3.46Å; A108-V129 PolarHBondContact O-N 3.4Å; A108-M131 HydrophobicContact CB-CB 4.37Å; A108-M131 HydrophobicContact CB-CG 3.55Å
109	T	95.3	Very high	86.9	Confident	76 Å²	76	73 Å²	73	47%	0.466	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.2	170.7	-55.1	0	0	0	0	109	E126 S150	T109-E126 HydrophobicContact CG2-CG 3.27Å; T109-S150 WeakPolarHBondContact O-CB 3.3Å
110	L	96.9	Very high	87.4	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.4	172.7	179.7	71.9	0	0	0	109.6	I112 F120 E126 Q127 V129 A156 F170	L110-I112 HydrophobicContact CD2-CD1 3.59Å; L110-I112 HydrophobicContact CG-CD1 3.9Å; L110-F120 HydrophobicContact CD2-CE1 3.77Å; L110-F120 HydrophobicContact CD2-CZ 4.12Å; L110-E126 WeakPolarHBondContact O-CA 3.48Å; L110-Q127 HydrophobicContact CB-CG 4.24Å; L110-Q127 HydrophobicContact CD2-CG 4.3Å; L110-Q127 PolarHBondContact N-O 3.01Å; L110-Q127 PolarHBondContact O-N 2.69Å; L110-V129 HydrophobicContact CB-CG1 3.88Å; L110-V129 HydrophobicContact CB-CG2 3.83Å; L110-V129 HydrophobicContact CD2-CG1 3.85Å; L110-A156 HydrophobicContact CD1-CB 3.54Å; L110-F170 HydrophobicContact CD2-CD1 4.19Å; L110-F170 HydrophobicContact CD2-CE1 3.5Å; L110-F170 VanDerWaalsContact CD2-CE1 3.5Å; L110-F170 HydrophobicContact CD2-CZ 3.92Å
111	E	97.8	Very high	88	Confident	110 Å²	110	70.2 Å²	70.2	51%	0.514	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.4	169.9	-176	-174.3	179.1	0	0	109.9	V113 K125 G148 T149	E111-V113 HydrophobicContact CG-CG1 4.29Å; E111-V113 PolarHBondContact O-N 3.26Å; E111-K125 CarbonylContact C-O 3.02Å; E111-K125 WeakPolarHBondContact CA-O 3.29Å; E111-G148 CarbonylContact O-C 3.6Å; E111-G148 VanDerWaalsContact O-CA 3.3Å; E111-G148 WeakPolarHBondContact O-CA 3.18Å; E111-T149 HydrophobicContact CB-CG2 3.96Å; E111-T149 PolarHBondContact N-O 3.14Å; E111-T149 PolarHBondContact O-N 3.34Å
112	I	97.6	Very high	88.9	Confident	9 Å²	9	68.2 Å²	68.2	5%	0.046	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	108.5	175.8	-52.5	-56.5	0	0	0	109.2	L110 A117 F120 K125 I147	L110-I112 HydrophobicContact CD2-CD1 3.59Å; L110-I112 HydrophobicContact CG-CD1 3.9Å; I112-A117 HydrophobicContact CG2-CB 3.69Å; I112-F120 HydrophobicContact CD1-CB 4.37Å; I112-F120 HydrophobicContact CD1-CD1 3.39Å; I112-F120 HydrophobicContact CD1-CD2 4.07Å; I112-F120 HydrophobicContact CD1-CE1 3.47Å; I112-F120 VanDerWaalsContact CD1-CE1 3.47Å; I112-F120 HydrophobicContact CD1-CE2 4.14Å; I112-F120 HydrophobicContact CD1-CG 3.68Å; I112-F120 HydrophobicContact CD1-CZ 3.85Å; I112-F120 HydrophobicContact CG1-CB 4.36Å; I112-F120 HydrophobicContact CG1-CD1 4.01Å; I112-F120 HydrophobicContact CG1-CG 4.19Å; I112-F120 HydrophobicContact CG2-CB 4.28Å; I112-K125 HydrophobicContact CB-CD 4.14Å; I112-K125 PolarHBondContact N-O 3.37Å; I112-K125 WeakPolarHBondContact O-CD 3.45Å; I112-K125 PolarHBondContact O-NZ 3.19Å; I112-I147 CarbonylContact C-O 3.04Å; I112-I147 WeakPolarHBondContact CA-O 3.35Å
113	V	96.3	Very high	90.1	Very high	63 Å²	63	64.2 Å²	64.2	38%	0.382	33%	0.33	S	S	.	.			trans	-93.1	-5.2	-171	-61.8	0	0	0	0	114.2	E111 I147 T149	E111-V113 HydrophobicContact CG-CG1 4.29Å; E111-V113 PolarHBondContact O-N 3.26Å; V113-I147 PolarHBondContact N-O 3.37Å; V113-T149 HydrophobicContact CG1-CG2 3.71Å
114	S	93.6	Very high	91.4	Very high	9 Å²	9	58 Å²	58	6%	0.063	31%	0.313	C	S	.	.			trans	-116.1	139	177.3	-173.6	0	0	0	0	111.1	N116 K125 E145	S114-N116 VanDerWaalsContact C-N 3.29Å; S114-N116 PolarHBondContact OG-N 3.48Å; S114-K125 PolarHBondContact O-NZ 2.97Å; S114-E145 WeakPolarHBondContact CB-OE1 3.31Å; S114-E145 PolarHBondContact OG-OE1 2.85Å
115	D	89.1	Confident	92.7	Very high	142 Å²	142	61.1 Å²	61.1	76%	0.759	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.6	173.1	-67.2	-27.1	0	0	0	112.2	K125	D115-K125 VanDerWaalsContact OD1-CE 3.28Å; D115-K125 WeakPolarHBondContact OD1-CE 3.43Å; D115-K125 IonicContact OD1-NZ 3.54Å; D115-K125 PolarHBondContact OD1-NZ 3.5Å
116	N	92	Very high	94	Very high	122 Å²	122	60.8 Å²	60.8	65%	0.652	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	21.9	179.4	-62	-35.4	0	0	0	112.2	S114 V118 Q159	S114-N116 VanDerWaalsContact C-N 3.29Å; S114-N116 PolarHBondContact OG-N 3.48Å; N116-V118 PolarHBondContact O-N 2.79Å; N116-Q159 PolarHBondContact O-NE2 3.1Å; N116-Q159 PolarHBondContact O-OE1 3.43Å
117	A	95.9	Very high	94.7	Very high	7 Å²	7	60.6 Å²	60.6	6%	0.058	33%	0.326	C	S	.	.			trans	-71.8	91.3	-179.4	0	0	0	0	0	110.2	I112 L119 F120 A121 I147	I112-A117 HydrophobicContact CG2-CB 3.69Å; A117-L119 VanDerWaalsContact C-N 3.34Å; A117-L119 PolarHBondContact O-N 2.97Å; A117-F120 HydrophobicContact CB-CB 4.04Å; A117-F120 HydrophobicContact CB-CD2 4Å; A117-F120 HydrophobicContact CB-CG 4.45Å; A117-F120 CarbonylContact O-C 3.59Å; A117-F120 PolarHBondContact O-N 2.86Å; A117-A121 PolarHBondContact O-N 2.84Å; A117-I147 HydrophobicContact CB-CB 4.08Å; A117-I147 HydrophobicContact CB-CD1 4.11Å; A117-I147 HydrophobicContact CB-CG2 4.45Å
118	V	96.4	Very high	95.1	Very high	58 Å²	58	56.1 Å²	56.1	35%	0.352	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55.5	-46.6	-166.6	176.7	0	0	0	0	112.5	N116 F120 A121 Q159 T161 F166 V191	N116-V118 PolarHBondContact O-N 2.79Å; V118-F120 PolarHBondContact O-N 3.11Å; V118-A121 PolarHBondContact O-N 3.45Å; V118-Q159 VanDerWaalsContact N-OE1 3.15Å; V118-T161 HydrophobicContact CG2-CG2 3.69Å; V118-F166 HydrophobicContact CB-CE1 3.95Å; V118-F166 HydrophobicContact CB-CZ 4.28Å; V118-F166 HydrophobicContact CG1-CZ 4.4Å; V118-F166 HydrophobicContact CG2-CE1 4.41Å; V118-V191 HydrophobicContact CG1-CG2 3.86Å
119	L	97.1	Very high	95.3	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-73.4	-8.9	-178.3	-67.9	-170.3	0	0	0	114.3	L80 A117 F166 L183 H186 F187 V191	L80-L119 HydrophobicContact CD1-CD1 3.94Å; A117-L119 VanDerWaalsContact C-N 3.34Å; A117-L119 PolarHBondContact O-N 2.97Å; L119-F166 HydrophobicContact CD1-CB 3.52Å; L119-F166 HydrophobicContact CD1-CD1 3.75Å; L119-F166 HydrophobicContact CD1-CD2 4.27Å; L119-F166 HydrophobicContact CD1-CG 3.56Å; L119-F166 HydrophobicContact CG-CB 4.41Å; L119-F166 HydrophobicContact CG-CD1 3.69Å; L119-F166 HydrophobicContact CG-CE1 4.07Å; L119-F166 HydrophobicContact CG-CG 3.94Å; L119-L183 HydrophobicContact CB-CD1 4.47Å; L119-L183 HydrophobicContact CB-CG 4.09Å; L119-L183 HydrophobicContact CD1-CD2 4.26Å; L119-L183 HydrophobicContact CD1-CG 4.47Å; L119-H186 HydrophobicContact CD2-CB 4.2Å; L119-F187 HydrophobicContact CD2-CB 3.77Å; L119-F187 HydrophobicContact CD2-CD2 4.29Å; L119-V191 HydrophobicContact CD2-CG2 3.79Å
120	F	97	Very high	95.2	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.053	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-112.7	13	-179.1	-62.2	-86.8	0	0	0	111.9	L110 I112 A117 V118 D122 T123 I147 A157 I168 F170 L183	L110-F120 HydrophobicContact CD2-CE1 3.77Å; L110-F120 HydrophobicContact CD2-CZ 4.12Å; I112-F120 HydrophobicContact CD1-CB 4.37Å; I112-F120 HydrophobicContact CD1-CD1 3.39Å; I112-F120 HydrophobicContact CD1-CD2 4.07Å; I112-F120 HydrophobicContact CD1-CE1 3.47Å; I112-F120 VanDerWaalsContact CD1-CE1 3.47Å; I112-F120 HydrophobicContact CD1-CE2 4.14Å; I112-F120 HydrophobicContact CD1-CG 3.68Å; I112-F120 HydrophobicContact CD1-CZ 3.85Å; I112-F120 HydrophobicContact CG1-CB 4.36Å; I112-F120 HydrophobicContact CG1-CD1 4.01Å; I112-F120 HydrophobicContact CG1-CG 4.19Å; I112-F120 HydrophobicContact CG2-CB 4.28Å; A117-F120 HydrophobicContact CB-CB 4.04Å; A117-F120 HydrophobicContact CB-CD2 4Å; A117-F120 HydrophobicContact CB-CG 4.45Å; A117-F120 CarbonylContact O-C 3.59Å; A117-F120 PolarHBondContact O-N 2.86Å; V118-F120 PolarHBondContact O-N 3.11Å; F120-D122 PolarHBondContact O-N 3.4Å; F120-T123 PolarHBondContact O-N 3.34Å; F120-T123 PolarHBondContact O-OG1 3.19Å; F120-I147 HydrophobicContact CD2-CD1 3.98Å; F120-I147 HydrophobicContact CE2-CD1 3.79Å; F120-I147 HydrophobicContact CE2-CG1 4.48Å; F120-A157 HydrophobicContact CE2-CB 4.01Å; F120-A157 HydrophobicContact CZ-CB 4.07Å; F120-I168 HydrophobicContact CZ-CG2 4.18Å; F120-F170 HydrophobicContact CE1-CE1 4.36Å; F120-F170 AromaticContact CE1-CZ 3.85Å; F120-F170 HydrophobicContact CE1-CZ 3.85Å; F120-F170 HydrophobicContact CZ-CE1 4.05Å; F120-F170 AromaticContact CZ-CZ 3.81Å; F120-F170 HydrophobicContact CZ-CZ 3.81Å; F120-L183 HydrophobicContact CD1-CD1 4.28Å; F120-L183 HydrophobicContact CE1-CD1 3.63Å; F120-L183 HydrophobicContact CE2-CD1 4.19Å; F120-L183 HydrophobicContact CZ-CD1 3.59Å
121	A	94	Very high	94.7	Very high	41 Å²	41	54.8 Å²	54.8	34%	0.339	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	138.9	174.6	0	0	0	0	0	110.3	A117 V118 T123 H186	A117-A121 PolarHBondContact O-N 2.84Å; V118-A121 PolarHBondContact O-N 3.45Å; A121-T123 PolarHBondContact O-N 3.18Å; A121-H186 PolarHBondContact O-NE2 3.04Å; A121-H186 VanDerWaalsContact O-NE2 3.15Å
122	D	92.7	Very high	93.8	Very high	169 Å²	169	51 Å²	51	90%	0.904	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	16	-179.9	-53.3	-44.4	0	0	0	116.1	F120	F120-D122 PolarHBondContact O-N 3.4Å
123	T	95	Very high	92.8	Very high	24 Å²	24	50.8 Å²	50.8	15%	0.147	28%	0.276	C	S	.	.	S	Bend	trans	-103.7	155.7	171.7	71.8	0	0	0	0	112	F120 A121 Q127 Y179 E182	F120-T123 PolarHBondContact O-N 3.34Å; F120-T123 PolarHBondContact O-OG1 3.19Å; A121-T123 PolarHBondContact O-N 3.18Å; T123-Q127 PolarHBondContact OG1-NE2 2.77Å; T123-Y179 HydrophobicContact CG2-CD1 4.29Å; T123-Y179 HydrophobicContact CG2-CG 4.27Å; T123-E182 HydrophobicContact CG2-CB 4.37Å
124	P	96	Very high	92	Very high	51 Å²	51	48.8 Å²	48.8	33%	0.331	27%	0.269	S	S	.	.			trans	-60.2	145.3	174.8	-24.6	35.8	0	0	0	113.2	E126 Q127 Y179	P124-E126 WeakPolarHBondContact CB-O 3.32Å; P124-E126 PolarHBondContact O-N 2.98Å; P124-Q127 PolarHBondContact O-NE2 2.83Å; P124-Y179 VanDerWaalsContact CD-CZ 3.43Å; P124-Y179 HydrophobicContact CG-CE1 4.23Å; P124-Y179 HydrophobicContact CG-CE2 3.74Å; P124-Y179 WeakPolarHBondContact CG-OH 3.39Å
125	K	95.9	Very high	91.8	Very high	93 Å²	93	49.2 Å²	49.2	40%	0.404	27%	0.27	S	S	.	.	S	Bend	trans	-61.9	-32.6	175.6	-74.7	-73	-174.7	173.7	0	112.9	E111 I112 S114 D115	E111-K125 CarbonylContact C-O 3.02Å; E111-K125 WeakPolarHBondContact CA-O 3.29Å; I112-K125 HydrophobicContact CB-CD 4.14Å; I112-K125 PolarHBondContact N-O 3.37Å; I112-K125 WeakPolarHBondContact O-CD 3.45Å; I112-K125 PolarHBondContact O-NZ 3.19Å; S114-K125 PolarHBondContact O-NZ 2.97Å; D115-K125 VanDerWaalsContact OD1-CE 3.28Å; D115-K125 WeakPolarHBondContact OD1-CE 3.43Å; D115-K125 IonicContact OD1-NZ 3.54Å; D115-K125 PolarHBondContact OD1-NZ 3.5Å
126	E	97.3	Very high	91.9	Very high	136 Å²	136	43.5 Å²	43.5	64%	0.636	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.9	174.3	-170	-179.8	117.5	0	0	108.6	T109 L110 P124	T109-E126 HydrophobicContact CG2-CG 3.27Å; L110-E126 WeakPolarHBondContact O-CA 3.48Å; P124-E126 WeakPolarHBondContact CB-O 3.32Å; P124-E126 PolarHBondContact O-N 2.98Å
127	Q	96.6	Very high	92	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.2	-176.4	58.4	-175.1	-70.8	0	0	112.6	L110 T123 P124 V129 Y179	L110-Q127 HydrophobicContact CB-CG 4.24Å; L110-Q127 HydrophobicContact CD2-CG 4.3Å; L110-Q127 PolarHBondContact N-O 3.01Å; L110-Q127 PolarHBondContact O-N 2.69Å; T123-Q127 PolarHBondContact OG1-NE2 2.77Å; P124-Q127 PolarHBondContact O-NE2 2.83Å; Q127-V129 HydrophobicContact CG-CG1 4.39Å; Q127-Y179 HydrophobicContact CB-CD2 3.82Å; Q127-Y179 HydrophobicContact CB-CE2 4.11Å
128	T	94.9	Very high	92	Very high	37 Å²	37	39.9 Å²	39.9	23%	0.227	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.4	177	-50.3	0	0	0	0	110.8	Q107 S177 E178	Q107-T128 HydrophobicContact CB-CG2 4.1Å; Q107-T128 HydrophobicContact CG-CG2 4Å; T128-S177 WeakPolarHBondContact O-CA 3.36Å; T128-E178 VanDerWaalsContact CB-OE2 3.26Å; T128-E178 WeakPolarHBondContact CB-OE2 3.26Å; T128-E178 PolarHBondContact N-OE2 3.31Å; T128-E178 PolarHBondContact O-N 3.16Å; T128-E178 PolarHBondContact OG1-OE2 2.9Å; T128-E178 VanDerWaalsContact OG1-OE2 3.09Å
129	V	95	Very high	92	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	159.1	176.9	-60	0	0	0	0	112.2	Q107 A108 L110 Q127 M131 F170	Q107-V129 WeakPolarHBondContact CA-O 3.2Å; A108-V129 HydrophobicContact CB-CG2 4.48Å; A108-V129 PolarHBondContact N-O 3.46Å; A108-V129 PolarHBondContact O-N 3.4Å; L110-V129 HydrophobicContact CB-CG1 3.88Å; L110-V129 HydrophobicContact CB-CG2 3.83Å; L110-V129 HydrophobicContact CD2-CG1 3.85Å; Q127-V129 HydrophobicContact CG-CG1 4.39Å; V129-M131 HydrophobicContact CG2-CG 4.29Å; V129-M131 HydrophobicContact CG2-SD 4.4Å; V129-F170 HydrophobicContact CB-CB 3.83Å; V129-F170 HydrophobicContact CB-CD1 4.23Å; V129-F170 HydrophobicContact CB-CD2 3.73Å; V129-F170 HydrophobicContact CB-CE2 4.33Å; V129-F170 HydrophobicContact CB-CG 3.67Å; V129-F170 HydrophobicContact CG1-CD1 4.23Å; V129-F170 HydrophobicContact CG1-CD2 3.78Å; V129-F170 HydrophobicContact CG1-CE1 4.3Å; V129-F170 HydrophobicContact CG1-CE2 3.85Å; V129-F170 HydrophobicContact CG1-CG 3.97Å; V129-F170 HydrophobicContact CG1-CZ 4.12Å; V129-F170 HydrophobicContact CG2-CB 3.87Å; V129-F170 HydrophobicContact CG2-CD1 4.18Å; V129-F170 HydrophobicContact CG2-CG 3.95Å
130	W	91.3	Very high	92	Very high	58 Å²	58	44.3 Å²	44.3	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	101.3	175.4	-167.4	-102.6	0	0	0	112.2	G106 Q107 F170 H171 V174 H176 S177	G106-W130 VanDerWaalsContact C-CE3 3.47Å; Q107-W130 HydrophobicContact CG-CE3 3.85Å; Q107-W130 HydrophobicContact CG-CZ3 3.9Å; W130-F170 WeakPolarHBondContact O-CA 3.35Å; W130-F170 VanDerWaalsContact O-CB 3.31Å; W130-F170 WeakPolarHBondContact O-CB 3.24Å; W130-H171 PolarHBondContact O-N 3.41Å; W130-V174 HydrophobicContact CB-CG2 3.49Å; W130-V174 VanDerWaalsContact CB-CG2 3.49Å; W130-V174 HydrophobicContact CG-CG2 3.8Å; W130-H176 HydrophobicContact CB-CB 3.98Å; W130-H176 HydrophobicContact CD2-CB 4.01Å; W130-H176 HydrophobicContact CE3-CB 3.58Å; W130-H176 AromaticContact CE3-CG 3.77Å; W130-H176 HydrophobicContact CG-CB 4.21Å; W130-H176 HydrophobicContact CZ3-CB 4.35Å; W130-S177 PolarHBondContact N-OG 3.32Å
131	M	87.4	Confident	92	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.4	175.6	-66.7	-67	-125.5	0	0	110.5	E104 Y105 G106 A108 V129 S150 C153 A156 Q169 F170	E104-M131 HydrophobicContact CB-CB 4.32Å; E104-M131 HydrophobicContact CG-CB 3.91Å; E104-M131 HydrophobicContact CG-CG 4.45Å; E104-M131 CarbonylContact O-C 3.6Å; Y105-M131 WeakPolarHBondContact CA-O 3.31Å; G106-M131 PolarHBondContact N-O 3.36Å; G106-M131 PolarHBondContact O-N 2.97Å; A108-M131 HydrophobicContact CB-CB 4.37Å; A108-M131 HydrophobicContact CB-CG 3.55Å; V129-M131 HydrophobicContact CG2-CG 4.29Å; V129-M131 HydrophobicContact CG2-SD 4.4Å; M131-S150 WeakPolarHBondContact CE-OG 3.35Å; M131-C153 HydrophobicContact CE-CB 3.51Å; M131-A156 HydrophobicContact CE-CB 4Å; M131-Q169 HydrophobicContact SD-CB 4.43Å; M131-F170 HydrophobicContact SD-CB 3.7Å
132	S	79.7	Confident	92.1	Very high	31 Å²	31	50.5 Å²	50.5	22%	0.217	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	79.6	172.2	176.3	0	0	0	0	109.5	C83 E104	C83-S132 PolarHBondContact SG-O 2.73Å; E104-S132 WeakPolarHBondContact O-CA 3.47Å
133	H	75.9	Confident	92.3	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.3	-175.7	67.2	88.6	0	0	0	113.7	E104 D135 Q169	E104-H133 PolarHBondContact N-O 3.31Å; E104-H133 PolarHBondContact O-N 3.01Å; E104-H133 VanDerWaalsContact O-N 3.15Å; E104-H133 IonicContact OE2-NE2 2.68Å; H133-D135 WeakPolarHBondContact CB-O 3.47Å; H133-D135 PolarHBondContact ND1-O 3.45Å; H133-Q169 HydrophobicContact CB-CG 4.14Å; H133-Q169 VanDerWaalsContact CB-NE2 3.28Å
134	G	79.7	Confident	92.4	Very high	21 Å²	21	44.5 Å²	44.5	22%	0.216	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-31.5	170.7	0	0	0	0	0	113.1	A100	A100-G134 VanDerWaalsContact CB-O 3.26Å; A100-G134 WeakPolarHBondContact CB-O 3.39Å; A100-G134 PolarHBondContact N-O 2.9Å
135	D	89.1	Confident	92.5	Very high	18 Å²	18	45.8 Å²	45.8	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	162.3	179.7	-66.3	-2.1	0	0	0	110	S59 Q87 V97 E98 P99 H133	S59-D135 WeakPolarHBondContact CB-OD2 3.46Å; S59-D135 PolarHBondContact OG-OD2 3.02Å; Q87-D135 PolarHBondContact NE2-O 2.87Å; V97-D135 HydrophobicContact CG1-CB 3.76Å; E98-D135 CarbonylContact O-C 3.59Å; E98-D135 WeakPolarHBondContact O-CA 3.24Å; P99-D135 WeakPolarHBondContact CA-OD1 3.28Å; H133-D135 WeakPolarHBondContact CB-O 3.47Å; H133-D135 PolarHBondContact ND1-O 3.45Å
136	L	91.8	Very high	92.5	Very high	22 Å²	22	45.6 Å²	45.6	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.7	176.8	60.9	84.7	0	0	0	111.2	V97 E98 A100 T138	V97-L136 CarbonylContact C-O 3.55Å; V97-L136 WeakPolarHBondContact CA-O 3.41Å; E98-L136 PolarHBondContact N-O 2.91Å; E98-L136 PolarHBondContact O-N 3.02Å; A100-L136 HydrophobicContact CB-CD2 3.71Å; A100-L136 HydrophobicContact CB-CG 4.27Å; L136-T138 HydrophobicContact CD1-CG2 3.44Å; L136-T138 VanDerWaalsContact CD1-CG2 3.44Å
137	V	94.5	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.9	172.3	175.8	0	0	0	0	109.4	M86 T90 V97 I155	M86-V137 HydrophobicContact CE-CB 4.03Å; M86-V137 HydrophobicContact CE-CG2 3.64Å; M86-V137 HydrophobicContact CG-CG2 4.28Å; T90-V137 HydrophobicContact CG2-CB 4.42Å; T90-V137 HydrophobicContact CG2-CG1 3.72Å; T90-V137 HydrophobicContact CG2-CG2 3.94Å; T90-V137 WeakPolarHBondContact OG1-CG2 3.49Å; V97-V137 HydrophobicContact CG2-CG2 4.22Å; V137-I155 HydrophobicContact CB-CB 4.24Å; V137-I155 HydrophobicContact CB-CG2 4.06Å; V137-I155 HydrophobicContact CG1-CB 4.29Å; V137-I155 HydrophobicContact CG1-CD1 4.01Å; V137-I155 HydrophobicContact CG1-CG2 3.88Å
138	T	95	Very high	92.6	Very high	54 Å²	54	38.8 Å²	38.8	33%	0.331	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-21.8	175.6	54.8	0	0	0	0	113.2	K96 E98 L136	K96-T138 PolarHBondContact O-N 2.92Å; K96-T138 PolarHBondContact O-OG1 2.79Å; E98-T138 HydrophobicContact CB-CG2 3.92Å; E98-T138 HydrophobicContact CG-CG2 3.92Å; L136-T138 HydrophobicContact CD1-CG2 3.44Å; L136-T138 VanDerWaalsContact CD1-CG2 3.44Å
139	Q	96.6	Very high	92.6	Very high	113 Å²	113	38.3 Å²	38.3	53%	0.528	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	121.1	175.5	-176	-179	-8.8	0	0	109.3	G95 K96	G95-Q139 CarbonylContact C-O 3.56Å; G95-Q139 VanDerWaalsContact CA-O 3.28Å; G95-Q139 WeakPolarHBondContact CA-O 3.47Å; K96-Q139 HydrophobicContact CB-CB 3.65Å; K96-Q139 PolarHBondContact N-O 2.83Å; K96-Q139 PolarHBondContact O-N 3.34Å
140	V	97	Very high	92.6	Very high	39 Å²	39	38.8 Å²	38.8	24%	0.236	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-67.3	145.9	174.3	-59.7	0	0	0	0	110.6	F144 K146 I155 I158	V140-F144 HydrophobicContact CB-CB 4.18Å; V140-K146 HydrophobicContact CG1-CB 4.3Å; V140-I155 HydrophobicContact CG1-CD1 4Å; V140-I155 HydrophobicContact CG1-CG2 3.87Å; V140-I158 HydrophobicContact CG1-CG2 3.61Å
141	P	97.1	Very high	92.5	Very high	3 Å²	3	45 Å²	45	2%	0.019	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.7	162	173.8	-21.3	34.3	0	0	0	112.5	T90 L93 G143 F144	T90-P141 HydrophobicContact CG2-CG 4.2Å; L93-P141 HydrophobicContact CB-CB 3.77Å; L93-P141 HydrophobicContact CB-CG 4.1Å; L93-P141 WeakPolarHBondContact O-CB 3.27Å; P141-G143 PolarHBondContact O-N 2.93Å; P141-F144 HydrophobicContact CB-CD2 3.68Å; P141-F144 HydrophobicContact CB-CE2 4.09Å; P141-F144 HydrophobicContact CB-CG 4.38Å; P141-F144 HydrophobicContact CG-CD2 4.02Å; P141-F144 HydrophobicContact CG-CE2 4.3Å; P141-F144 HydrophobicContact CG-CG 4.39Å; P141-F144 WeakPolarHBondContact O-CB 3.29Å; P141-F144 PolarHBondContact O-N 3.27Å; P141-F144 VanDerWaalsContact O-N 3.12Å
142	E	96.2	Very high	92.6	Very high	181 Å²	181	48.2 Å²	48.2	85%	0.846	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	135.5	173.4	-171.6	175	-177.9	0	0	111	F144 R163	E142-F144 VanDerWaalsContact C-N 3.29Å; E142-F144 PolarHBondContact O-N 2.96Å; E142-R163 PolarHBondContact O-NH2 3.31Å
143	G	95.9	Very high	93.1	Very high	50 Å²	50	46.7 Å²	46.7	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-12.8	-175.5	0	0	0	0	0	114.7	P141	P141-G143 PolarHBondContact O-N 2.93Å
144	F	97.8	Very high	93.9	Very high	16 Å²	16	50.1 Å²	50.1	7%	0.07	27%	0.268	C	S	.	.			trans	-89.6	144.2	177.6	-75.5	-107	0	0	0	112.5	I89 L93 V140 P141 E142 I158 Q159 D160 F165	I89-F144 HydrophobicContact CG2-CE1 4.12Å; I89-F144 HydrophobicContact CG2-CZ 3.73Å; L93-F144 HydrophobicContact CD1-CE2 3.67Å; L93-F144 HydrophobicContact CD1-CZ 3.89Å; V140-F144 HydrophobicContact CB-CB 4.18Å; P141-F144 HydrophobicContact CB-CD2 3.68Å; P141-F144 HydrophobicContact CB-CE2 4.09Å; P141-F144 HydrophobicContact CB-CG 4.38Å; P141-F144 HydrophobicContact CG-CD2 4.02Å; P141-F144 HydrophobicContact CG-CE2 4.3Å; P141-F144 HydrophobicContact CG-CG 4.39Å; P141-F144 WeakPolarHBondContact O-CB 3.29Å; P141-F144 PolarHBondContact O-N 3.27Å; P141-F144 VanDerWaalsContact O-N 3.12Å; E142-F144 VanDerWaalsContact C-N 3.29Å; E142-F144 PolarHBondContact O-N 2.96Å; F144-I158 HydrophobicContact CD1-CB 4.07Å; F144-I158 HydrophobicContact CD1-CD1 3.79Å; F144-I158 HydrophobicContact CD1-CG1 3.95Å; F144-I158 HydrophobicContact CE1-CD1 4.05Å; F144-I158 HydrophobicContact CE1-CG1 4.32Å; F144-Q159 CarbonylContact C-O 3.21Å; F144-Q159 VanDerWaalsContact CA-O 3.25Å; F144-Q159 WeakPolarHBondContact CA-O 3.38Å; F144-Q159 VanDerWaalsContact CD1-C 3.48Å; F144-D160 HydrophobicContact CD1-CB 3.97Å; F144-D160 HydrophobicContact CD2-CB 3.92Å; F144-D160 HydrophobicContact CE1-CB 3.94Å; F144-D160 HydrophobicContact CE2-CB 3.9Å; F144-D160 HydrophobicContact CG-CB 3.98Å; F144-D160 HydrophobicContact CZ-CB 3.92Å; F144-F165 HydrophobicContact CE1-CB 3.82Å; F144-F165 HydrophobicContact CZ-CB 3.52Å; F144-F165 HydrophobicContact CZ-CD2 4.04Å; F144-F165 HydrophobicContact CZ-CG 4.31Å
145	E	97	Very high	94.7	Very high	79 Å²	79	49.9 Å²	49.9	37%	0.369	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.8	169.6	-177.4	-172.6	174.4	0	0	109.8	S114 I147 I158 Q159	S114-E145 WeakPolarHBondContact CB-OE1 3.31Å; S114-E145 PolarHBondContact OG-OE1 2.85Å; E145-I147 HydrophobicContact CB-CG2 4.35Å; E145-I147 HydrophobicContact CG-CG2 4.01Å; E145-I158 CarbonylContact O-C 3.59Å; E145-I158 VanDerWaalsContact O-CA 3.25Å; E145-I158 WeakPolarHBondContact O-CA 3.49Å; E145-Q159 HydrophobicContact CB-CG 4.36Å; E145-Q159 PolarHBondContact N-O 3.06Å; E145-Q159 PolarHBondContact O-N 3.38Å; E145-Q159 PolarHBondContact OE2-NE2 3.01Å
146	K	97.4	Very high	95.1	Very high	88 Å²	88	49 Å²	49	38%	0.383	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.4	165.9	-179.4	-168.7	78.4	158.9	0	109.5	V140 P154 I155	V140-K146 HydrophobicContact CG1-CB 4.3Å; K146-P154 WeakPolarHBondContact CD-O 3.49Å; K146-I155 HydrophobicContact CD-CG1 3.86Å; K146-I155 HydrophobicContact CG-CG1 4.22Å; K146-I155 HydrophobicContact CG-CG2 4.27Å
147	I	97.8	Very high	95.4	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-13.1	-176.3	59.7	169.2	0	0	0	114.5	I112 V113 A117 F120 E145 A157 Q159	I112-I147 CarbonylContact C-O 3.04Å; I112-I147 WeakPolarHBondContact CA-O 3.35Å; V113-I147 PolarHBondContact N-O 3.37Å; A117-I147 HydrophobicContact CB-CB 4.08Å; A117-I147 HydrophobicContact CB-CD1 4.11Å; A117-I147 HydrophobicContact CB-CG2 4.45Å; F120-I147 HydrophobicContact CD2-CD1 3.98Å; F120-I147 HydrophobicContact CE2-CD1 3.79Å; F120-I147 HydrophobicContact CE2-CG1 4.48Å; E145-I147 HydrophobicContact CB-CG2 4.35Å; E145-I147 HydrophobicContact CG-CG2 4.01Å; I147-A157 HydrophobicContact CD1-CB 4.24Å; I147-A157 HydrophobicContact CG1-CB 3.74Å; I147-A157 WeakPolarHBondContact CG1-O 3.42Å; I147-A157 PolarHBondContact N-O 3.12Å; I147-Q159 HydrophobicContact CD1-CB 4.02Å; I147-Q159 HydrophobicContact CD1-CG 4.17Å; I147-Q159 HydrophobicContact CG2-CG 3.63Å
148	G	96.9	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.6	178.1	0	0	0	0	0	113.1	E111 A156 A157	E111-G148 CarbonylContact O-C 3.6Å; E111-G148 VanDerWaalsContact O-CA 3.3Å; E111-G148 WeakPolarHBondContact O-CA 3.18Å; G148-A156 PolarHBondContact O-N 2.95Å; G148-A157 PolarHBondContact N-O 3.48Å; G148-A157 PolarHBondContact O-N 3.28Å
149	T	96.6	Very high	95.7	Very high	27 Å²	27	45.6 Å²	45.6	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.3	178.2	-165.9	0	0	0	0	111.1	E111 V113 P154	E111-T149 HydrophobicContact CB-CG2 3.96Å; E111-T149 PolarHBondContact N-O 3.14Å; E111-T149 PolarHBondContact O-N 3.34Å; V113-T149 HydrophobicContact CG1-CG2 3.71Å; T149-P154 WeakPolarHBondContact CB-O 3.3Å; T149-P154 WeakPolarHBondContact OG1-CA 3.05Å; T149-P154 PolarHBondContact OG1-O 3.39Å
150	S	93.4	Very high	95.8	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	169.3	165.2	81.4	0	0	0	0	109.6	T109 M131 D152 C153	T109-S150 WeakPolarHBondContact O-CB 3.3Å; M131-S150 WeakPolarHBondContact CE-OG 3.35Å; S150-D152 VanDerWaalsContact C-N 3.31Å; S150-D152 PolarHBondContact O-N 3.31Å; S150-C153 PolarHBondContact N-O 2.91Å; S150-C153 CarbonylContact O-C 3.59Å; S150-C153 PolarHBondContact O-N 2.98Å; S150-C153 WeakPolarHBondContact OG-CB 3.22Å; S150-C153 PolarHBondContact OG-N 3.45Å; S150-C153 VanDerWaalsContact OG-N 3.08Å
151	K	90.3	Very high	95.7	Very high	190 Å²	190	41.9 Å²	41.9	83%	0.826	22%	0.222	S	C	*	.	S	Bend	trans	-52.3	-45.7	-179.4	-177.8	-174.6	173.8	-168.9	0	113.3
152	D	88.2	Confident	95.7	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.353	26%	0.259	S	S	.	.	S	Bend	trans	-103.9	-3.4	-176.6	-68.6	-64.6	0	0	0	112.8	S150	S150-D152 VanDerWaalsContact C-N 3.31Å; S150-D152 PolarHBondContact O-N 3.31Å
153	C	91.8	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.			trans	-130.7	91.7	176.8	-163.1	0	0	0	0	111.7	M131 S150 I155 A156	M131-C153 HydrophobicContact CE-CB 3.51Å; S150-C153 PolarHBondContact N-O 2.91Å; S150-C153 CarbonylContact O-C 3.59Å; S150-C153 PolarHBondContact O-N 2.98Å; S150-C153 WeakPolarHBondContact OG-CB 3.22Å; S150-C153 PolarHBondContact OG-N 3.45Å; S150-C153 VanDerWaalsContact OG-N 3.08Å; C153-I155 PolarHBondContact O-N 2.79Å; C153-I155 VanDerWaalsContact O-N 3.16Å; C153-A156 HydrophobicContact CB-CB 4.43Å
154	P	93	Very high	95.8	Very high	74 Å²	74	45.2 Å²	45.2	48%	0.481	23%	0.227	S	C	.	.	S	Bend	trans	-59	-29.1	-176.6	-27.9	36	0	0	0	114.7	K146 T149	K146-P154 WeakPolarHBondContact CD-O 3.49Å; T149-P154 WeakPolarHBondContact CB-O 3.3Å; T149-P154 WeakPolarHBondContact OG1-CA 3.05Å; T149-P154 PolarHBondContact OG1-O 3.39Å
155	I	96.3	Very high	95.8	Very high	16 Å²	16	44.7 Å²	44.7	8%	0.082	22%	0.224	C	C	.	.			trans	-121.1	83.1	177	-58.3	170.4	0	0	0	107.5	M86 V137 V140 K146 C153 I158	M86-I155 HydrophobicContact CE-CG2 3.92Å; M86-I155 WeakPolarHBondContact CE-O 3.35Å; V137-I155 HydrophobicContact CB-CB 4.24Å; V137-I155 HydrophobicContact CB-CG2 4.06Å; V137-I155 HydrophobicContact CG1-CB 4.29Å; V137-I155 HydrophobicContact CG1-CD1 4.01Å; V137-I155 HydrophobicContact CG1-CG2 3.88Å; V140-I155 HydrophobicContact CG1-CD1 4Å; V140-I155 HydrophobicContact CG1-CG2 3.87Å; K146-I155 HydrophobicContact CD-CG1 3.86Å; K146-I155 HydrophobicContact CG-CG1 4.22Å; K146-I155 HydrophobicContact CG-CG2 4.27Å; C153-I155 PolarHBondContact O-N 2.79Å; C153-I155 VanDerWaalsContact O-N 3.16Å; I155-I158 HydrophobicContact CG2-CG2 3.38Å
156	A	96.1	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.			trans	-91.9	-20.3	-177.5	0	0	0	0	0	112.9	L110 M131 G148 C153 Q169	L110-A156 HydrophobicContact CD1-CB 3.54Å; M131-A156 HydrophobicContact CE-CB 4Å; G148-A156 PolarHBondContact O-N 2.95Å; C153-A156 HydrophobicContact CB-CB 4.43Å; A156-Q169 WeakPolarHBondContact O-CB 3.47Å; A156-Q169 PolarHBondContact O-N 3.39Å
157	A	97.8	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	143.4	172.7	0	0	0	0	0	111.8	F120 I147 G148 G167 I168	F120-A157 HydrophobicContact CE2-CB 4.01Å; F120-A157 HydrophobicContact CZ-CB 4.07Å; I147-A157 HydrophobicContact CD1-CB 4.24Å; I147-A157 HydrophobicContact CG1-CB 3.74Å; I147-A157 WeakPolarHBondContact CG1-O 3.42Å; I147-A157 PolarHBondContact N-O 3.12Å; G148-A157 PolarHBondContact N-O 3.48Å; G148-A157 PolarHBondContact O-N 3.28Å; A157-G167 CarbonylContact C-O 3.08Å; A157-G167 WeakPolarHBondContact CA-O 3.33Å; A157-I168 HydrophobicContact CB-CG2 4.13Å
158	I	98.3	Very high	95.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.4	-179.5	62.5	175.6	0	0	0	111.2	M86 V140 F144 E145 I155 G167	M86-I158 HydrophobicContact CE-CD1 4.23Å; M86-I158 HydrophobicContact CE-CG1 4.06Å; M86-I158 HydrophobicContact CE-CG2 3.85Å; M86-I158 HydrophobicContact CG-CD1 4.16Å; M86-I158 HydrophobicContact CG-CG1 4.34Å; M86-I158 HydrophobicContact SD-CG1 4.45Å; V140-I158 HydrophobicContact CG1-CG2 3.61Å; F144-I158 HydrophobicContact CD1-CB 4.07Å; F144-I158 HydrophobicContact CD1-CD1 3.79Å; F144-I158 HydrophobicContact CD1-CG1 3.95Å; F144-I158 HydrophobicContact CE1-CD1 4.05Å; F144-I158 HydrophobicContact CE1-CG1 4.32Å; E145-I158 CarbonylContact O-C 3.59Å; E145-I158 VanDerWaalsContact O-CA 3.25Å; E145-I158 WeakPolarHBondContact O-CA 3.49Å; I155-I158 HydrophobicContact CG2-CG2 3.38Å; I158-G167 PolarHBondContact N-O 3.37Å; I158-G167 PolarHBondContact O-N 3.39Å
159	Q	98.4	Very high	95.8	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.9	171.7	71.3	-177.5	10.3	0	0	112.4	N116 V118 F144 E145 I147 T161 F165 F166	N116-Q159 PolarHBondContact O-NE2 3.1Å; N116-Q159 PolarHBondContact O-OE1 3.43Å; V118-Q159 VanDerWaalsContact N-OE1 3.15Å; F144-Q159 CarbonylContact C-O 3.21Å; F144-Q159 VanDerWaalsContact CA-O 3.25Å; F144-Q159 WeakPolarHBondContact CA-O 3.38Å; F144-Q159 VanDerWaalsContact CD1-C 3.48Å; E145-Q159 HydrophobicContact CB-CG 4.36Å; E145-Q159 PolarHBondContact N-O 3.06Å; E145-Q159 PolarHBondContact O-N 3.38Å; E145-Q159 PolarHBondContact OE2-NE2 3.01Å; I147-Q159 HydrophobicContact CD1-CB 4.02Å; I147-Q159 HydrophobicContact CD1-CG 4.17Å; I147-Q159 HydrophobicContact CG2-CG 3.63Å; Q159-T161 HydrophobicContact CG-CG2 4.22Å; Q159-F165 CarbonylContact C-O 3.41Å; Q159-F165 WeakPolarHBondContact CA-O 3.46Å; Q159-F166 HydrophobicContact CB-CD1 3.61Å; Q159-F166 HydrophobicContact CB-CE1 3.8Å
160	D	97.9	Very high	95.7	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.032	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	103.4	159.9	-179.6	-32.1	0	0	0	107.4	F144 N162 R163 N164 F165	F144-D160 HydrophobicContact CD1-CB 3.97Å; F144-D160 HydrophobicContact CD2-CB 3.92Å; F144-D160 HydrophobicContact CE1-CB 3.94Å; F144-D160 HydrophobicContact CE2-CB 3.9Å; F144-D160 HydrophobicContact CG-CB 3.98Å; F144-D160 HydrophobicContact CZ-CB 3.92Å; D160-N162 VanDerWaalsContact C-N 3.3Å; D160-N162 PolarHBondContact O-N 3.11Å; D160-N162 WeakPolarHBondContact OD1-CA 3.41Å; D160-N162 WeakPolarHBondContact OD1-CB 3.31Å; D160-N162 PolarHBondContact OD1-N 3.35Å; D160-R163 PolarHBondContact OD1-N 2.81Å; D160-R163 IonicContact OD2-CZ 2.65Å; D160-R163 IonicContact OD2-NE 2.66Å; D160-R163 PolarHBondContact OD2-NE 2.87Å; D160-R163 IonicContact OD2-NH2 2.71Å; D160-R163 PolarHBondContact OD2-NH2 3.23Å; D160-N164 VanDerWaalsContact O-CA 3.31Å; D160-N164 WeakPolarHBondContact O-CA 3.31Å; D160-N164 PolarHBondContact O-N 2.82Å; D160-F165 HydrophobicContact CB-CB 4.41Å; D160-F165 PolarHBondContact N-O 3.39Å; D160-F165 PolarHBondContact O-N 3.38Å
161	T	95.9	Very high	95.7	Very high	68 Å²	68	35.5 Å²	35.5	42%	0.417	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.1	-176.9	51.5	0	0	0	0	113.4	V118 Q159 N164	V118-T161 HydrophobicContact CG2-CG2 3.69Å; Q159-T161 HydrophobicContact CG-CG2 4.22Å; T161-N164 PolarHBondContact O-OD1 3.36Å
162	N	96	Very high	95.9	Very high	151 Å²	151	26.4 Å²	26.4	81%	0.807	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-39	174	-65.4	-41.9	0	0	0	110.8	D160	D160-N162 VanDerWaalsContact C-N 3.3Å; D160-N162 PolarHBondContact O-N 3.11Å; D160-N162 WeakPolarHBondContact OD1-CA 3.41Å; D160-N162 WeakPolarHBondContact OD1-CB 3.31Å; D160-N162 PolarHBondContact OD1-N 3.35Å
163	R	96.8	Very high	96.1	Very high	92 Å²	92	23.3 Å²	23.3	35%	0.347	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.7	177.8	-69.6	-179.6	-75	-172.7	-5.1	113.8	E142 D160 F165	E142-R163 PolarHBondContact O-NH2 3.31Å; D160-R163 PolarHBondContact OD1-N 2.81Å; D160-R163 IonicContact OD2-CZ 2.65Å; D160-R163 IonicContact OD2-NE 2.66Å; D160-R163 PolarHBondContact OD2-NE 2.87Å; D160-R163 IonicContact OD2-NH2 2.71Å; D160-R163 PolarHBondContact OD2-NH2 3.23Å; R163-F165 VanDerWaalsContact C-N 3.31Å; R163-F165 HydrophobicContact CB-CD1 4.14Å; R163-F165 HydrophobicContact CB-CD2 3.85Å; R163-F165 HydrophobicContact CB-CE1 4.22Å; R163-F165 HydrophobicContact CB-CE2 3.97Å; R163-F165 HydrophobicContact CB-CG 3.94Å; R163-F165 HydrophobicContact CB-CZ 4.14Å; R163-F165 HydrophobicContact CG-CE2 4.47Å; R163-F165 WeakPolarHBondContact O-CD1 3.32Å; R163-F165 WeakPolarHBondContact O-CE1 3.5Å
164	N	97.8	Very high	95.9	Very high	62 Å²	62	23.7 Å²	23.7	33%	0.332	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	42.4	-169.8	-66.7	-43.7	0	0	0	112.9	P78 I79 D160 T161 F166 V191	P78-N164 VanDerWaalsContact CA-O 3.31Å; P78-N164 WeakPolarHBondContact CA-O 3.48Å; P78-N164 HydrophobicContact CB-CB 3.94Å; P78-N164 HydrophobicContact CG-CB 3.94Å; I79-N164 PolarHBondContact N-O 3Å; D160-N164 VanDerWaalsContact O-CA 3.31Å; D160-N164 WeakPolarHBondContact O-CA 3.31Å; D160-N164 PolarHBondContact O-N 2.82Å; T161-N164 PolarHBondContact O-OD1 3.36Å; N164-F166 VanDerWaalsContact C-CE2 3.43Å; N164-F166 HydrophobicContact CB-CE2 4.1Å; N164-F166 WeakPolarHBondContact O-CD2 3.46Å; N164-F166 WeakPolarHBondContact O-CE2 3.35Å; N164-V191 HydrophobicContact CB-CG1 4.08Å
165	F	98.6	Very high	95.5	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.9	175	-64.2	-11.1	0	0	0	110.1	F73 I79 L93 F144 Q159 D160 R163	F73-F165 HydrophobicContact CB-CE2 4.19Å; F73-F165 HydrophobicContact CB-CZ 4.29Å; F73-F165 HydrophobicContact CD1-CE2 4.1Å; F73-F165 HydrophobicContact CD1-CZ 4.35Å; F73-F165 WeakPolarHBondContact O-CZ 3.23Å; I79-F165 HydrophobicContact CB-CD1 3.77Å; I79-F165 HydrophobicContact CB-CE1 4.11Å; I79-F165 HydrophobicContact CB-CG 4.48Å; I79-F165 HydrophobicContact CD1-CD1 4.19Å; I79-F165 HydrophobicContact CD1-CE1 3.68Å; I79-F165 HydrophobicContact CD1-CZ 4Å; I79-F165 HydrophobicContact CG1-CD1 3.92Å; I79-F165 HydrophobicContact CG1-CE1 3.71Å; I79-F165 CarbonylContact O-C 3.52Å; I79-F165 WeakPolarHBondContact O-CA 3.46Å; L93-F165 HydrophobicContact CD1-CD2 4.03Å; L93-F165 HydrophobicContact CD1-CE2 4.32Å; F144-F165 HydrophobicContact CE1-CB 3.82Å; F144-F165 HydrophobicContact CZ-CB 3.52Å; F144-F165 HydrophobicContact CZ-CD2 4.04Å; F144-F165 HydrophobicContact CZ-CG 4.31Å; Q159-F165 CarbonylContact C-O 3.41Å; Q159-F165 WeakPolarHBondContact CA-O 3.46Å; D160-F165 HydrophobicContact CB-CB 4.41Å; D160-F165 PolarHBondContact N-O 3.39Å; D160-F165 PolarHBondContact O-N 3.38Å; R163-F165 VanDerWaalsContact C-N 3.31Å; R163-F165 HydrophobicContact CB-CD1 4.14Å; R163-F165 HydrophobicContact CB-CD2 3.85Å; R163-F165 HydrophobicContact CB-CE1 4.22Å; R163-F165 HydrophobicContact CB-CE2 3.97Å; R163-F165 HydrophobicContact CB-CG 3.94Å; R163-F165 HydrophobicContact CB-CZ 4.14Å; R163-F165 HydrophobicContact CG-CE2 4.47Å; R163-F165 WeakPolarHBondContact O-CD1 3.32Å; R163-F165 WeakPolarHBondContact O-CE1 3.5Å
166	F	98.6	Very high	95	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.6	-176.1	-57.6	-86.9	0	0	0	109.7	I79 L80 G81 I89 V118 L119 Q159 N164 F187 V191	I79-F166 PolarHBondContact O-N 2.7Å; L80-F166 CarbonylContact C-O 3.58Å; L80-F166 WeakPolarHBondContact CA-O 3.17Å; L80-F166 HydrophobicContact CD1-CB 3.87Å; G81-F166 PolarHBondContact N-O 3.28Å; I89-F166 WeakPolarHBondContact CD1-O 3.44Å; V118-F166 HydrophobicContact CB-CE1 3.95Å; V118-F166 HydrophobicContact CB-CZ 4.28Å; V118-F166 HydrophobicContact CG1-CZ 4.4Å; V118-F166 HydrophobicContact CG2-CE1 4.41Å; L119-F166 HydrophobicContact CD1-CB 3.52Å; L119-F166 HydrophobicContact CD1-CD1 3.75Å; L119-F166 HydrophobicContact CD1-CD2 4.27Å; L119-F166 HydrophobicContact CD1-CG 3.56Å; L119-F166 HydrophobicContact CG-CB 4.41Å; L119-F166 HydrophobicContact CG-CD1 3.69Å; L119-F166 HydrophobicContact CG-CE1 4.07Å; L119-F166 HydrophobicContact CG-CG 3.94Å; Q159-F166 HydrophobicContact CB-CD1 3.61Å; Q159-F166 HydrophobicContact CB-CE1 3.8Å; N164-F166 VanDerWaalsContact C-CE2 3.43Å; N164-F166 HydrophobicContact CB-CE2 4.1Å; N164-F166 WeakPolarHBondContact O-CD2 3.46Å; N164-F166 WeakPolarHBondContact O-CE2 3.35Å; F166-F187 HydrophobicContact CD2-CD2 4.33Å; F166-F187 HydrophobicContact CD2-CE2 4.34Å; F166-V191 HydrophobicContact CD2-CG1 4.39Å; F166-V191 HydrophobicContact CE2-CB 4.46Å; F166-V191 HydrophobicContact CE2-CG1 3.57Å; F166-V191 HydrophobicContact CE2-CG2 4.06Å; F166-V191 HydrophobicContact CZ-CG1 4.27Å; F166-V191 HydrophobicContact CZ-CG2 4.08Å
167	G	98.1	Very high	94.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.9	176.1	0	0	0	0	0	111.1	G81 A157 I158	G81-G167 CarbonylContact O-C 3.48Å; G81-G167 WeakPolarHBondContact O-CA 3.27Å; A157-G167 CarbonylContact C-O 3.08Å; A157-G167 WeakPolarHBondContact CA-O 3.33Å; I158-G167 PolarHBondContact N-O 3.37Å; I158-G167 PolarHBondContact O-N 3.39Å
168	I	97.6	Very high	94.6	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.8	173	58.8	173.8	0	0	0	110.5	L80 G81 I82 C83 M86 F120 A157 F170 A172 L183	L80-I168 HydrophobicContact CD1-CG1 4.36Å; G81-I168 PolarHBondContact O-N 3.4Å; I82-I168 HydrophobicContact CB-CG1 4.47Å; I82-I168 HydrophobicContact CG1-CD1 4.17Å; I82-I168 HydrophobicContact CG1-CG1 4.11Å; I82-I168 HydrophobicContact CG2-CG1 4.49Å; C83-I168 PolarHBondContact N-O 2.86Å; M86-I168 PolarHBondContact SD-N 3.24Å; M86-I168 VanDerWaalsContact SD-N 3.45Å; F120-I168 HydrophobicContact CZ-CG2 4.18Å; A157-I168 HydrophobicContact CB-CG2 4.13Å; I168-F170 HydrophobicContact CB-CD1 3.99Å; I168-F170 HydrophobicContact CB-CE1 3.68Å; I168-F170 HydrophobicContact CB-CZ 4.01Å; I168-F170 HydrophobicContact CD1-CD2 4.2Å; I168-F170 HydrophobicContact CD1-CE2 3.88Å; I168-F170 HydrophobicContact CD1-CZ 4.05Å; I168-F170 WeakPolarHBondContact CD1-O 3.26Å; I168-F170 WeakPolarHBondContact CG1-O 3.35Å; I168-F170 HydrophobicContact CG2-CE1 3.76Å; I168-F170 HydrophobicContact CG2-CZ 3.86Å; I168-A172 HydrophobicContact CD1-CB 3.68Å; I168-L183 HydrophobicContact CD1-CD1 4.31Å; I168-L183 HydrophobicContact CD1-CD2 4.06Å; I168-L183 HydrophobicContact CG2-CD1 4.1Å
169	Q	95.3	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-91.3	-2.9	-179.5	-162.4	59.7	77.1	0	0	113	C83 M86 M131 H133 A156	C83-Q169 PolarHBondContact SG-NE2 3.45Å; C83-Q169 VanDerWaalsContact SG-NE2 3.42Å; M86-Q169 HydrophobicContact SD-CB 4.1Å; M86-Q169 PolarHBondContact SD-N 2.84Å; M131-Q169 HydrophobicContact SD-CB 4.43Å; H133-Q169 HydrophobicContact CB-CG 4.14Å; H133-Q169 VanDerWaalsContact CB-NE2 3.28Å; A156-Q169 WeakPolarHBondContact O-CB 3.47Å; A156-Q169 PolarHBondContact O-N 3.39Å
170	F	93.7	Very high	94.4	Very high	1 Å²	1	43 Å²	43	0%	0.004	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-112	164.1	177.3	61.7	-88.4	0	0	0	111.6	I82 L110 F120 V129 W130 M131 I168 A172 L183	I82-F170 WeakPolarHBondContact CG2-O 3.24Å; L110-F170 HydrophobicContact CD2-CD1 4.19Å; L110-F170 HydrophobicContact CD2-CE1 3.5Å; L110-F170 VanDerWaalsContact CD2-CE1 3.5Å; L110-F170 HydrophobicContact CD2-CZ 3.92Å; F120-F170 HydrophobicContact CE1-CE1 4.36Å; F120-F170 AromaticContact CE1-CZ 3.85Å; F120-F170 HydrophobicContact CE1-CZ 3.85Å; F120-F170 HydrophobicContact CZ-CE1 4.05Å; F120-F170 AromaticContact CZ-CZ 3.81Å; F120-F170 HydrophobicContact CZ-CZ 3.81Å; V129-F170 HydrophobicContact CB-CB 3.83Å; V129-F170 HydrophobicContact CB-CD1 4.23Å; V129-F170 HydrophobicContact CB-CD2 3.73Å; V129-F170 HydrophobicContact CB-CE2 4.33Å; V129-F170 HydrophobicContact CB-CG 3.67Å; V129-F170 HydrophobicContact CG1-CD1 4.23Å; V129-F170 HydrophobicContact CG1-CD2 3.78Å; V129-F170 HydrophobicContact CG1-CE1 4.3Å; V129-F170 HydrophobicContact CG1-CE2 3.85Å; V129-F170 HydrophobicContact CG1-CG 3.97Å; V129-F170 HydrophobicContact CG1-CZ 4.12Å; V129-F170 HydrophobicContact CG2-CB 3.87Å; V129-F170 HydrophobicContact CG2-CD1 4.18Å; V129-F170 HydrophobicContact CG2-CG 3.95Å; W130-F170 WeakPolarHBondContact O-CA 3.35Å; W130-F170 VanDerWaalsContact O-CB 3.31Å; W130-F170 WeakPolarHBondContact O-CB 3.24Å; M131-F170 HydrophobicContact SD-CB 3.7Å; I168-F170 HydrophobicContact CB-CD1 3.99Å; I168-F170 HydrophobicContact CB-CE1 3.68Å; I168-F170 HydrophobicContact CB-CZ 4.01Å; I168-F170 HydrophobicContact CD1-CD2 4.2Å; I168-F170 HydrophobicContact CD1-CE2 3.88Å; I168-F170 HydrophobicContact CD1-CZ 4.05Å; I168-F170 WeakPolarHBondContact CD1-O 3.26Å; I168-F170 WeakPolarHBondContact CG1-O 3.35Å; I168-F170 HydrophobicContact CG2-CE1 3.76Å; I168-F170 HydrophobicContact CG2-CZ 3.86Å; F170-A172 HydrophobicContact CE2-CB 4.24Å; F170-L183 HydrophobicContact CE2-CD1 4.18Å; F170-L183 HydrophobicContact CZ-CD1 3.77Å
171	H	93.6	Very high	94.2	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.028	21%	0.211	C	C	.	.			trans	-90.6	107.4	177.9	-70.8	-88.2	0	0	0	110.6	Y16 W130 E173 V174 S177	Y16-H171 AromaticContact CD2-CE1 3.72Å; Y16-H171 AromaticContact CD2-ND1 3.53Å; W130-H171 PolarHBondContact O-N 3.41Å; H171-E173 VanDerWaalsContact C-N 3.31Å; H171-E173 VanDerWaalsContact C-OE2 3.28Å; H171-E173 VanDerWaalsContact CA-OE2 3.3Å; H171-E173 WeakPolarHBondContact CA-OE2 3.39Å; H171-E173 WeakPolarHBondContact CB-OE2 3.48Å; H171-E173 IonicContact CE1-OE1 2.68Å; H171-E173 IonicContact CG-OE1 3.75Å; H171-E173 IonicContact ND1-OE1 2.71Å; H171-E173 PolarHBondContact ND1-OE1 3.15Å; H171-E173 IonicContact ND1-OE2 3.17Å; H171-V174 HydrophobicContact CB-CG1 4.31Å; H171-V174 HydrophobicContact CB-CG2 3.92Å; H171-V174 WeakPolarHBondContact O-CG2 3.46Å; H171-S177 WeakPolarHBondContact O-CB 3.21Å; H171-S177 PolarHBondContact O-OG 3.1Å
172	A	95	Very high	94.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.6	178.7	0	0	0	0	0	112.8	I168 F170 V174 G180 L183 L184	I168-A172 HydrophobicContact CD1-CB 3.68Å; F170-A172 HydrophobicContact CE2-CB 4.24Å; A172-V174 VanDerWaalsContact C-N 3.33Å; A172-V174 PolarHBondContact O-N 2.69Å; A172-G180 CarbonylContact O-C 3.49Å; A172-G180 WeakPolarHBondContact O-CA 3.43Å; A172-L183 HydrophobicContact CB-CD2 3.99Å; A172-L184 HydrophobicContact CB-CD1 4.26Å; A172-L184 HydrophobicContact CB-CD2 4.21Å; A172-L184 HydrophobicContact CB-CG 3.94Å
173	E	92.5	Very high	94.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-18.6	-176.1	67.2	-84.9	-156.4	0	0	114	Y16 L19 I20 R23 H171 L184	Y16-E173 WeakPolarHBondContact CB-OE1 3.35Å; L19-E173 HydrophobicContact CB-CB 4.35Å; L19-E173 HydrophobicContact CB-CG 4.15Å; L19-E173 HydrophobicContact CD2-CB 4.31Å; L19-E173 HydrophobicContact CD2-CG 4.08Å; L19-E173 WeakPolarHBondContact CD2-O 3.32Å; L19-E173 HydrophobicContact CG-CB 4.1Å; L19-E173 HydrophobicContact CG-CG 4.21Å; L19-E173 WeakPolarHBondContact CG-O 3.46Å; I20-E173 HydrophobicContact CB-CB 4.46Å; I20-E173 HydrophobicContact CG1-CB 3.79Å; I20-E173 HydrophobicContact CG1-CG 3.67Å; R23-E173 HydrophobicContact CG-CB 4.31Å; R23-E173 PolarHBondContact NE-O 3.23Å; H171-E173 VanDerWaalsContact C-N 3.31Å; H171-E173 VanDerWaalsContact C-OE2 3.28Å; H171-E173 VanDerWaalsContact CA-OE2 3.3Å; H171-E173 WeakPolarHBondContact CA-OE2 3.39Å; H171-E173 WeakPolarHBondContact CB-OE2 3.48Å; H171-E173 IonicContact CE1-OE1 2.68Å; H171-E173 IonicContact CG-OE1 3.75Å; H171-E173 IonicContact ND1-OE1 2.71Å; H171-E173 PolarHBondContact ND1-OE1 3.15Å; H171-E173 IonicContact ND1-OE2 3.17Å; E173-L184 HydrophobicContact CB-CD1 4.22Å
174	V	87.4	Confident	94.3	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	15%	0.154	C	C	.	.	S	Bend	trans	-91.9	142.4	-179.1	-58.3	0	0	0	0	111.6	Y16 L19 W130 H171 A172 H176 S177	Y16-V174 HydrophobicContact CD1-CG1 3.86Å; Y16-V174 HydrophobicContact CD2-CG1 4.41Å; Y16-V174 HydrophobicContact CE1-CG1 3.91Å; Y16-V174 HydrophobicContact CE2-CG1 4.44Å; Y16-V174 HydrophobicContact CG-CG1 4.13Å; L19-V174 HydrophobicContact CD2-CG1 4.03Å; W130-V174 HydrophobicContact CB-CG2 3.49Å; W130-V174 VanDerWaalsContact CB-CG2 3.49Å; W130-V174 HydrophobicContact CG-CG2 3.8Å; H171-V174 HydrophobicContact CB-CG1 4.31Å; H171-V174 HydrophobicContact CB-CG2 3.92Å; H171-V174 WeakPolarHBondContact O-CG2 3.46Å; A172-V174 VanDerWaalsContact C-N 3.33Å; A172-V174 PolarHBondContact O-N 2.69Å; V174-H176 HydrophobicContact CG2-CB 4.35Å; V174-H176 PolarHBondContact O-N 2.7Å; V174-S177 PolarHBondContact O-N 3.39Å
175	R	84.3	Confident	94.3	Very high	203 Å²	203	36.4 Å²	36.4	77%	0.766	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17	-179	-71.7	-170	173.6	-168.7	-0.8	115	S177	R175-S177 PolarHBondContact O-N 3.37Å
176	H	85.7	Confident	94.2	Very high	95 Å²	95	37 Å²	37	44%	0.44	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.3	176.5	-58.5	104.4	0	0	0	112.7	W130 V174	W130-H176 HydrophobicContact CB-CB 3.98Å; W130-H176 HydrophobicContact CD2-CB 4.01Å; W130-H176 HydrophobicContact CE3-CB 3.58Å; W130-H176 AromaticContact CE3-CG 3.77Å; W130-H176 HydrophobicContact CG-CB 4.21Å; W130-H176 HydrophobicContact CZ3-CB 4.35Å; V174-H176 HydrophobicContact CG2-CB 4.35Å; V174-H176 PolarHBondContact O-N 2.7Å
177	S	91.9	Very high	94.2	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.042	16%	0.16	C	C	.	.	S	Bend	trans	-88.8	106.4	169.6	-63	0	0	0	0	108.8	T128 W130 H171 V174 R175 Y179 G180	T128-S177 WeakPolarHBondContact O-CA 3.36Å; W130-S177 PolarHBondContact N-OG 3.32Å; H171-S177 WeakPolarHBondContact O-CB 3.21Å; H171-S177 PolarHBondContact O-OG 3.1Å; V174-S177 PolarHBondContact O-N 3.39Å; R175-S177 PolarHBondContact O-N 3.37Å; S177-Y179 VanDerWaalsContact C-N 3.29Å; S177-Y179 PolarHBondContact O-N 3.28Å; S177-G180 PolarHBondContact O-N 3.19Å; S177-G180 VanDerWaalsContact O-N 3.09Å
178	E	93.6	Very high	94.2	Very high	114 Å²	114	36.8 Å²	36.8	53%	0.533	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-39.1	-166.5	-73.2	175	141.5	0	0	113.3	T128	T128-E178 VanDerWaalsContact CB-OE2 3.26Å; T128-E178 WeakPolarHBondContact CB-OE2 3.26Å; T128-E178 PolarHBondContact N-OE2 3.31Å; T128-E178 PolarHBondContact O-N 3.16Å; T128-E178 PolarHBondContact OG1-OE2 2.9Å; T128-E178 VanDerWaalsContact OG1-OE2 3.09Å
179	Y	96.2	Very high	94.1	Very high	79 Å²	79	38.6 Å²	38.6	31%	0.31	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	23.7	178.9	-55	-88.2	0	0	0	112.4	T123 P124 Q127 S177 N181 E182 L183	T123-Y179 HydrophobicContact CG2-CD1 4.29Å; T123-Y179 HydrophobicContact CG2-CG 4.27Å; P124-Y179 VanDerWaalsContact CD-CZ 3.43Å; P124-Y179 HydrophobicContact CG-CE1 4.23Å; P124-Y179 HydrophobicContact CG-CE2 3.74Å; P124-Y179 WeakPolarHBondContact CG-OH 3.39Å; Q127-Y179 HydrophobicContact CB-CD2 3.82Å; Q127-Y179 HydrophobicContact CB-CE2 4.11Å; S177-Y179 VanDerWaalsContact C-N 3.29Å; S177-Y179 PolarHBondContact O-N 3.28Å; Y179-N181 VanDerWaalsContact C-N 3.32Å; Y179-N181 PolarHBondContact O-N 3.28Å; Y179-E182 VanDerWaalsContact CA-OE2 3.32Å; Y179-E182 WeakPolarHBondContact CA-OE2 3.5Å; Y179-E182 PolarHBondContact O-N 2.87Å; Y179-L183 PolarHBondContact O-N 2.81Å; Y179-L183 VanDerWaalsContact O-N 3.07Å
180	G	95.3	Very high	94.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-36.4	-178.9	0	0	0	0	0	112.9	A172 S177 L183 L184	A172-G180 CarbonylContact O-C 3.49Å; A172-G180 WeakPolarHBondContact O-CA 3.43Å; S177-G180 PolarHBondContact O-N 3.19Å; S177-G180 VanDerWaalsContact O-N 3.09Å; G180-L183 WeakPolarHBondContact O-CB 3.24Å; G180-L183 PolarHBondContact O-N 3.22Å; G180-L184 WeakPolarHBondContact O-CG 3.39Å; G180-L184 PolarHBondContact O-N 2.71Å; G180-L184 VanDerWaalsContact O-N 3.07Å
181	N	94.3	Very high	94.4	Very high	53 Å²	53	43.1 Å²	43.1	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-67.3	-43.1	176.1	-80.6	-3.1	0	0	0	111.7	R23 F27 Y179 L183 L184 R185	R23-N181 VanDerWaalsContact CD-OD1 3.27Å; R23-N181 WeakPolarHBondContact CD-OD1 3.47Å; F27-N181 HydrophobicContact CE1-CB 4.46Å; F27-N181 HydrophobicContact CZ-CB 4.11Å; F27-N181 WeakPolarHBondContact CZ-O 3.46Å; Y179-N181 VanDerWaalsContact C-N 3.32Å; Y179-N181 PolarHBondContact O-N 3.28Å; N181-L183 VanDerWaalsContact C-N 3.3Å; N181-L183 PolarHBondContact O-N 3.13Å; N181-L184 PolarHBondContact O-N 2.94Å; N181-R185 VanDerWaalsContact O-CB 3.31Å; N181-R185 WeakPolarHBondContact O-CB 3.25Å; N181-R185 PolarHBondContact O-N 3.31Å
182	E	96.2	Very high	94.5	Very high	81 Å²	81	43.2 Å²	43.2	38%	0.379	19%	0.194	S	C	.	.	H	α-helix	trans	-58.1	-44.7	175.6	-73	69.5	-163.6	0	0	110.5	T123 Y179 L184 R185 H186	T123-E182 HydrophobicContact CG2-CB 4.37Å; Y179-E182 VanDerWaalsContact CA-OE2 3.32Å; Y179-E182 WeakPolarHBondContact CA-OE2 3.5Å; Y179-E182 PolarHBondContact O-N 2.87Å; E182-L184 PolarHBondContact O-N 2.89Å; E182-R185 WeakPolarHBondContact O-CB 3.31Å; E182-R185 PolarHBondContact O-N 3.26Å; E182-H186 PolarHBondContact O-CD2 2.88Å; E182-H186 PolarHBondContact O-N 2.89Å
183	L	97.6	Very high	94.6	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-50.3	175	-177.4	151.5	0	0	0	112.2	L80 L119 F120 I168 F170 A172 Y179 G180 N181 R185 H186 F187	L80-L183 HydrophobicContact CD2-CD2 4.19Å; L119-L183 HydrophobicContact CB-CD1 4.47Å; L119-L183 HydrophobicContact CB-CG 4.09Å; L119-L183 HydrophobicContact CD1-CD2 4.26Å; L119-L183 HydrophobicContact CD1-CG 4.47Å; F120-L183 HydrophobicContact CD1-CD1 4.28Å; F120-L183 HydrophobicContact CE1-CD1 3.63Å; F120-L183 HydrophobicContact CE2-CD1 4.19Å; F120-L183 HydrophobicContact CZ-CD1 3.59Å; I168-L183 HydrophobicContact CD1-CD1 4.31Å; I168-L183 HydrophobicContact CD1-CD2 4.06Å; I168-L183 HydrophobicContact CG2-CD1 4.1Å; F170-L183 HydrophobicContact CE2-CD1 4.18Å; F170-L183 HydrophobicContact CZ-CD1 3.77Å; A172-L183 HydrophobicContact CB-CD2 3.99Å; Y179-L183 PolarHBondContact O-N 2.81Å; Y179-L183 VanDerWaalsContact O-N 3.07Å; G180-L183 WeakPolarHBondContact O-CB 3.24Å; G180-L183 PolarHBondContact O-N 3.22Å; N181-L183 VanDerWaalsContact C-N 3.3Å; N181-L183 PolarHBondContact O-N 3.13Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 3.39Å; L183-H186 PolarHBondContact O-N 3.47Å; L183-F187 PolarHBondContact O-N 3.13Å
184	L	97.5	Very high	94.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-33.2	178.6	-67.8	175.4	0	0	0	111.6	R23 I24 F27 L80 I82 A172 E173 G180 N181 E182 F187 A188	R23-L184 HydrophobicContact CB-CD1 3.77Å; R23-L184 HydrophobicContact CG-CD1 4.11Å; I24-L184 HydrophobicContact CD1-CB 4.23Å; F27-L184 HydrophobicContact CE2-CB 3.66Å; F27-L184 HydrophobicContact CZ-CB 4.26Å; L80-L184 HydrophobicContact CD2-CD2 3.92Å; I82-L184 HydrophobicContact CD1-CD2 4.43Å; A172-L184 HydrophobicContact CB-CD1 4.26Å; A172-L184 HydrophobicContact CB-CD2 4.21Å; A172-L184 HydrophobicContact CB-CG 3.94Å; E173-L184 HydrophobicContact CB-CD1 4.22Å; G180-L184 WeakPolarHBondContact O-CG 3.39Å; G180-L184 PolarHBondContact O-N 2.71Å; G180-L184 VanDerWaalsContact O-N 3.07Å; N181-L184 PolarHBondContact O-N 2.94Å; E182-L184 PolarHBondContact O-N 2.89Å; L184-F187 PolarHBondContact O-N 3.01Å; L184-A188 WeakPolarHBondContact O-CB 3.43Å; L184-A188 PolarHBondContact O-N 2.82Å
185	R	96.8	Very high	95	Very high	105 Å²	105	57.7 Å²	57.7	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.9	-165.6	-170.2	91	83.8	6.2	111.4	F27 N181 E182 L183 F187 A188 L189	F27-R185 HydrophobicContact CD1-CB 4.23Å; F27-R185 HydrophobicContact CD1-CG 4.07Å; F27-R185 HydrophobicContact CD2-CB 4.13Å; F27-R185 HydrophobicContact CD2-CG 4.42Å; F27-R185 HydrophobicContact CE1-CB 4.15Å; F27-R185 HydrophobicContact CE1-CG 4.44Å; F27-R185 HydrophobicContact CE2-CB 4.06Å; F27-R185 HydrophobicContact CG-CB 4.23Å; F27-R185 HydrophobicContact CG-CG 4.08Å; F27-R185 HydrophobicContact CZ-CB 4.07Å; N181-R185 VanDerWaalsContact O-CB 3.31Å; N181-R185 WeakPolarHBondContact O-CB 3.25Å; N181-R185 PolarHBondContact O-N 3.31Å; E182-R185 WeakPolarHBondContact O-CB 3.31Å; E182-R185 PolarHBondContact O-N 3.26Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 3.39Å; R185-F187 VanDerWaalsContact C-N 3.32Å; R185-F187 PolarHBondContact O-N 2.92Å; R185-A188 PolarHBondContact O-N 2.8Å; R185-L189 HydrophobicContact CG-CD1 3.77Å; R185-L189 HydrophobicContact CG-CG 4.34Å; R185-L189 WeakPolarHBondContact O-CB 3.28Å; R185-L189 PolarHBondContact O-N 2.93Å
186	H	97.2	Very high	95.3	Very high	15 Å²	15	49.3 Å²	49.3	7%	0.069	24%	0.236	C	C	.	.	I	π-helix	trans	-60.7	-42.3	175.1	-73.7	-58.1	0	0	0	111.6	L119 A121 E182 L183 A188 D190 V191	L119-H186 HydrophobicContact CD2-CB 4.2Å; A121-H186 PolarHBondContact O-NE2 3.04Å; A121-H186 VanDerWaalsContact O-NE2 3.15Å; E182-H186 PolarHBondContact O-CD2 2.88Å; E182-H186 PolarHBondContact O-N 2.89Å; L183-H186 PolarHBondContact O-N 3.47Å; H186-A188 PolarHBondContact O-N 3.31Å; H186-D190 WeakPolarHBondContact CA-OD2 3.25Å; H186-D190 IonicContact CE1-OD2 3.82Å; H186-D190 IonicContact CG-OD2 3.53Å; H186-D190 IonicContact ND1-OD2 3.18Å; H186-D190 PolarHBondContact ND1-OD2 3Å; H186-D190 WeakPolarHBondContact O-CA 3.13Å; H186-D190 WeakPolarHBondContact O-CB 3.36Å; H186-D190 PolarHBondContact O-N 2.84Å; H186-V191 PolarHBondContact O-N 3.06Å
187	F	98.3	Very high	95.3	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	I	π-helix	trans	-61	-47.1	175.3	-178.2	-106.1	0	0	0	111.7	I7 I52 P78 L80 L119 F166 L183 L184 R185 V191 C192	I7-F187 HydrophobicContact CG2-CE1 4.48Å; I52-F187 HydrophobicContact CD1-CD1 4.16Å; I52-F187 HydrophobicContact CD1-CE1 4.12Å; I52-F187 HydrophobicContact CG1-CD1 4.11Å; I52-F187 HydrophobicContact CG1-CE1 3.61Å; I52-F187 HydrophobicContact CG1-CZ 4.44Å; P78-F187 HydrophobicContact CB-CE2 3.99Å; P78-F187 HydrophobicContact CB-CZ 4.25Å; L80-F187 HydrophobicContact CB-CD1 4.22Å; L80-F187 HydrophobicContact CB-CD2 3.83Å; L80-F187 HydrophobicContact CB-CE1 4Å; L80-F187 HydrophobicContact CB-CE2 3.6Å; L80-F187 HydrophobicContact CB-CG 4.14Å; L80-F187 HydrophobicContact CB-CZ 3.68Å; L80-F187 HydrophobicContact CD2-CB 4.33Å; L80-F187 HydrophobicContact CD2-CD1 4.23Å; L80-F187 HydrophobicContact CD2-CD2 4.45Å; L80-F187 HydrophobicContact CD2-CG 4.07Å; L119-F187 HydrophobicContact CD2-CB 3.77Å; L119-F187 HydrophobicContact CD2-CD2 4.29Å; F166-F187 HydrophobicContact CD2-CD2 4.33Å; F166-F187 HydrophobicContact CD2-CE2 4.34Å; L183-F187 PolarHBondContact O-N 3.13Å; L184-F187 PolarHBondContact O-N 3.01Å; R185-F187 VanDerWaalsContact C-N 3.32Å; R185-F187 PolarHBondContact O-N 2.92Å; F187-V191 HydrophobicContact CD2-CB 4.29Å; F187-V191 HydrophobicContact CD2-CG1 4.18Å; F187-V191 HydrophobicContact CE2-CG1 4.29Å; F187-V191 WeakPolarHBondContact O-CB 3.22Å; F187-C192 WeakPolarHBondContact O-CB 3.39Å; F187-C192 PolarHBondContact O-N 2.93Å; F187-C192 PolarHBondContact O-SG 2.87Å
188	A	97.6	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-71.5	-47.2	-175.6	0	0	0	0	0	113.5	I7 I24 V29 L184 R185 H186 C192 C194	I7-A188 HydrophobicContact CD1-CB 3.7Å; I24-A188 HydrophobicContact CD1-CB 4.2Å; V29-A188 HydrophobicContact CG2-CB 4.26Å; L184-A188 WeakPolarHBondContact O-CB 3.43Å; L184-A188 PolarHBondContact O-N 2.82Å; R185-A188 PolarHBondContact O-N 2.8Å; H186-A188 PolarHBondContact O-N 3.31Å; A188-C192 WeakPolarHBondContact O-CB 3.28Å; A188-C194 VanDerWaalsContact O-CB 3.3Å; A188-C194 WeakPolarHBondContact O-CB 3.23Å; A188-C194 PolarHBondContact O-N 2.9Å; A188-C194 PolarHBondContact O-SG 2.84Å
189	L	96.7	Very high	94.9	Very high	39 Å²	39	45.6 Å²	45.6	20%	0.204	22%	0.224	C	C	.	.	I	π-helix	trans	-94.8	-33.5	-169.5	-58.8	-176.8	0	0	0	113.2	V29 R185 Q193 C194	V29-L189 HydrophobicContact CG2-CD2 3.67Å; R185-L189 HydrophobicContact CG-CD1 3.77Å; R185-L189 HydrophobicContact CG-CG 4.34Å; R185-L189 WeakPolarHBondContact O-CB 3.28Å; R185-L189 PolarHBondContact O-N 2.93Å; L189-Q193 VanDerWaalsContact O-CA 3.31Å; L189-Q193 WeakPolarHBondContact O-CA 3.44Å; L189-C194 HydrophobicContact CD2-CB 4.43Å; L189-C194 WeakPolarHBondContact CD2-O 3.48Å
190	D	96.5	Very high	94.6	Very high	81 Å²	81	42.7 Å²	42.7	43%	0.433	21%	0.213	S	C	.	.	I	π-helix	trans	-99.1	-46	-174.1	-52.8	-37	0	0	0	111.5	H186 Q193	H186-D190 WeakPolarHBondContact CA-OD2 3.25Å; H186-D190 IonicContact CE1-OD2 3.82Å; H186-D190 IonicContact CG-OD2 3.53Å; H186-D190 IonicContact ND1-OD2 3.18Å; H186-D190 PolarHBondContact ND1-OD2 3Å; H186-D190 WeakPolarHBondContact O-CA 3.13Å; H186-D190 WeakPolarHBondContact O-CB 3.36Å; H186-D190 PolarHBondContact O-N 2.84Å; D190-Q193 WeakPolarHBondContact O-CG 3.4Å
191	V	97.5	Very high	94.3	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.097	24%	0.235	C	C	.	.	I	π-helix	trans	-78.8	-53.4	180	175.8	0	0	0	0	111.5	P78 V118 L119 N164 F166 H186 F187 Q193	P78-V191 HydrophobicContact CB-CG1 3.69Å; P78-V191 HydrophobicContact CG-CG1 3.95Å; V118-V191 HydrophobicContact CG1-CG2 3.86Å; L119-V191 HydrophobicContact CD2-CG2 3.79Å; N164-V191 HydrophobicContact CB-CG1 4.08Å; F166-V191 HydrophobicContact CD2-CG1 4.39Å; F166-V191 HydrophobicContact CE2-CB 4.46Å; F166-V191 HydrophobicContact CE2-CG1 3.57Å; F166-V191 HydrophobicContact CE2-CG2 4.06Å; F166-V191 HydrophobicContact CZ-CG1 4.27Å; F166-V191 HydrophobicContact CZ-CG2 4.08Å; H186-V191 PolarHBondContact O-N 3.06Å; F187-V191 HydrophobicContact CD2-CB 4.29Å; F187-V191 HydrophobicContact CD2-CG1 4.18Å; F187-V191 HydrophobicContact CE2-CG1 4.29Å; F187-V191 WeakPolarHBondContact O-CB 3.22Å; V191-Q193 PolarHBondContact O-N 2.98Å
192	C	97.6	Very high	94	Very high	7 Å²	7	47.6 Å²	47.6	5%	0.047	24%	0.239	C	C	.	.	S	Bend	trans	-77.8	-12.3	178.4	-59.6	0	0	0	0	112.7	I7 K49 F187 A188 C194	I7-C192 HydrophobicContact CD1-CB 4.3Å; K49-C192 HydrophobicContact CB-CB 4.19Å; F187-C192 WeakPolarHBondContact O-CB 3.39Å; F187-C192 PolarHBondContact O-N 2.93Å; F187-C192 PolarHBondContact O-SG 2.87Å; A188-C192 WeakPolarHBondContact O-CB 3.28Å; C192-C194 PolarHBondContact O-N 3.29Å
193	Q	96.2	Very high	93.8	Very high	146 Å²	146	43.8 Å²	43.8	68%	0.682	22%	0.222	S	C	*	.			trans	54.6	35.8	179	-59	-176.7	-18.2	0	0	113	L189 D190 V191	L189-Q193 VanDerWaalsContact O-CA 3.31Å; L189-Q193 WeakPolarHBondContact O-CA 3.44Å; D190-Q193 WeakPolarHBondContact O-CG 3.4Å; V191-Q193 PolarHBondContact O-N 2.98Å
194	C	96	Very high	93.7	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.047	22%	0.222	C	C	.	.			trans	-69	140.1	172.2	-63.4	0	0	0	0	109.7	E5 V29 K49 A188 L189 C192 G196	E5-C194 WeakPolarHBondContact OE2-CA 3.09Å; V29-C194 HydrophobicContact CB-CB 4.39Å; V29-C194 HydrophobicContact CG1-CB 3.91Å; V29-C194 HydrophobicContact CG2-CB 3.53Å; K49-C194 VanDerWaalsContact CB-SG 3.58Å; A188-C194 VanDerWaalsContact O-CB 3.3Å; A188-C194 WeakPolarHBondContact O-CB 3.23Å; A188-C194 PolarHBondContact O-N 2.9Å; A188-C194 PolarHBondContact O-SG 2.84Å; L189-C194 HydrophobicContact CD2-CB 4.43Å; L189-C194 WeakPolarHBondContact CD2-O 3.48Å; C192-C194 PolarHBondContact O-N 3.29Å; C194-G196 VanDerWaalsContact C-N 3.31Å; C194-G196 PolarHBondContact O-N 3.05Å
195	K	91.8	Very high	93.5	Very high	161 Å²	161	49 Å²	49	70%	0.7	25%	0.249	S	C	*	.			trans	-71.5	-24.2	-177.5	-68.5	176.4	-174.6	172.9	0	114.2	E5	E5-K195 WeakPolarHBondContact OE2-CG 3.46Å; E5-K195 PolarHBondContact OE2-N 3.18Å
196	G	90.2	Very high	93.2	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	25%	0.245	S	C	.	.			trans	79	31.4	-174.7	0	0	0	0	0	113.6	G28 C194	G28-G196 CarbonylContact O-C 3.56Å; G28-G196 WeakPolarHBondContact O-CA 3.45Å; C194-G196 VanDerWaalsContact C-N 3.31Å; C194-G196 PolarHBondContact O-N 3.05Å
197	D	87	Confident	93.1	Very high	68 Å²	68	46.3 Å²	46.3	36%	0.364	24%	0.242	S	C	.	.			trans	-96.3	7.6	-176.5	61.5	-1.7	0	0	0	114.4	G28 T199 N202	G28-D197 PolarHBondContact O-N 3.4Å; D197-T199 PolarHBondContact O-N 3.48Å; D197-N202 PolarHBondContact O-ND2 3.34Å
198	W	88.7	Confident	93	Very high	14 Å²	14	46.9 Å²	46.9	5%	0.053	25%	0.245	C	C	.	.			trans	-72.6	96.8	166.7	-177.5	-101.8	0	0	0	109.8	M1 V4 G28 F30 F203 L369 E373	M1-W198 HydrophobicContact CE-CH2 4.03Å; M1-W198 HydrophobicContact CE-CZ3 4.48Å; V4-W198 HydrophobicContact CG1-CE3 3.75Å; V4-W198 HydrophobicContact CG1-CZ3 4.11Å; V4-W198 HydrophobicContact CG2-CZ3 4.45Å; G28-W198 VanDerWaalsContact C-CB 3.5Å; G28-W198 WeakPolarHBondContact CA-O 3.2Å; G28-W198 WeakPolarHBondContact O-CA 3.32Å; G28-W198 WeakPolarHBondContact O-CB 3.33Å; G28-W198 PolarHBondContact O-N 3.03Å; F30-W198 HydrophobicContact CB-CD2 3.98Å; F30-W198 HydrophobicContact CB-CE3 3.84Å; F30-W198 HydrophobicContact CB-CG 4.31Å; F30-W198 HydrophobicContact CB-CZ3 4.26Å; F30-W198 AromaticContact CD2-CD2 3.88Å; F30-W198 HydrophobicContact CD2-CD2 3.88Å; F30-W198 AromaticContact CD2-CE2 3.69Å; F30-W198 AromaticContact CD2-CE3 3.84Å; F30-W198 HydrophobicContact CD2-CE3 3.84Å; F30-W198 AromaticContact CD2-CH2 3.29Å; F30-W198 HydrophobicContact CD2-CH2 3.29Å; F30-W198 AromaticContact CD2-CZ2 3.42Å; F30-W198 HydrophobicContact CD2-CZ2 3.42Å; F30-W198 VanDerWaalsContact CD2-CZ2 3.42Å; F30-W198 AromaticContact CD2-CZ3 3.55Å; F30-W198 HydrophobicContact CD2-CZ3 3.55Å; F30-W198 AromaticContact CE2-CH2 3.54Å; F30-W198 HydrophobicContact CE2-CH2 3.54Å; F30-W198 AromaticContact CE2-CZ2 3.76Å; F30-W198 HydrophobicContact CE2-CZ2 3.76Å; F30-W198 HydrophobicContact CE2-CZ3 4.15Å; F30-W198 HydrophobicContact CG-CD2 4.39Å; F30-W198 HydrophobicContact CG-CE3 4.15Å; F30-W198 HydrophobicContact CG-CH2 4.25Å; F30-W198 HydrophobicContact CG-CZ3 4.07Å; W198-F203 AromaticContact CH2-CD2 3.3Å; W198-F203 HydrophobicContact CH2-CD2 3.3Å; W198-F203 AromaticContact CH2-CE2 3.75Å; W198-F203 HydrophobicContact CH2-CE2 3.75Å; W198-F203 HydrophobicContact CH2-CG 4.39Å; W198-F203 AromaticContact CZ2-CD2 3.67Å; W198-F203 HydrophobicContact CZ2-CD2 3.67Å; W198-F203 HydrophobicContact CZ2-CE2 4.12Å; W198-F203 HydrophobicContact CZ3-CD2 4.03Å; W198-L369 HydrophobicContact CZ2-CD2 3.76Å; W198-E373 PolarHBondContact NE1-OE1 2.83Å
199	T	88.7	Confident	92.9	Very high	56 Å²	56	49.6 Å²	49.6	34%	0.344	27%	0.268	S	S	.	.			trans	-124	156.3	175.2	64.4	0	0	0	0	109.4	D197 D201 N202 F203	D197-T199 PolarHBondContact O-N 3.48Å; T199-D201 PolarHBondContact O-N 3.45Å; T199-N202 PolarHBondContact O-N 3.29Å; T199-N202 WeakPolarHBondContact OG1-CB 3.2Å; T199-N202 PolarHBondContact OG1-N 3.35Å; T199-N202 PolarHBondContact OG1-ND2 2.8Å; T199-F203 PolarHBondContact O-N 3.12Å
200	M	89.8	Confident	92.8	Very high	18 Å²	18	52 Å²	52	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-30.3	177.6	-70.5	-56.9	104.5	0	0	112.2	F203 I204 L369 E373 E376 L377 Q380	M200-F203 WeakPolarHBondContact O-CB 3.26Å; M200-F203 PolarHBondContact O-N 3.17Å; M200-I204 VanDerWaalsContact O-CG1 3.24Å; M200-I204 WeakPolarHBondContact O-CG1 3.5Å; M200-I204 PolarHBondContact O-N 3.35Å; M200-L369 HydrophobicContact CE-CD2 4.24Å; M200-L369 HydrophobicContact SD-CD1 4.33Å; M200-E373 HydrophobicContact CE-CB 4.18Å; M200-E373 HydrophobicContact CE-CG 4.24Å; M200-E373 HydrophobicContact SD-CB 4.16Å; M200-E376 HydrophobicContact CB-CG 4.41Å; M200-E376 HydrophobicContact CG-CB 4.03Å; M200-E376 HydrophobicContact CG-CG 3.71Å; M200-L377 HydrophobicContact CB-CD1 4.49Å; M200-L377 HydrophobicContact SD-CB 4.1Å; M200-L377 HydrophobicContact SD-CD1 4.41Å; M200-Q380 HydrophobicContact CB-CG 3.97Å
201	D	88.3	Confident	92.8	Very high	85 Å²	85	48.3 Å²	48.3	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-50.6	173.3	-72.9	-22.3	0	0	0	111.8	T199 F203 I204 D205	T199-D201 PolarHBondContact O-N 3.45Å; D201-F203 VanDerWaalsContact C-N 3.25Å; D201-F203 PolarHBondContact O-N 2.93Å; D201-I204 WeakPolarHBondContact O-CB 3.47Å; D201-I204 PolarHBondContact O-N 3.34Å; D201-I204 VanDerWaalsContact O-N 3.17Å; D201-D205 PolarHBondContact O-N 3.28Å; D201-D205 VanDerWaalsContact O-N 3.12Å
202	N	88.3	Confident	92.8	Very high	72 Å²	72	54.2 Å²	54.2	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-37.3	176.3	-72.7	-17.6	0	0	0	111.4	D197 T199 D205 M206	D197-N202 PolarHBondContact O-ND2 3.34Å; T199-N202 PolarHBondContact O-N 3.29Å; T199-N202 WeakPolarHBondContact OG1-CB 3.2Å; T199-N202 PolarHBondContact OG1-N 3.35Å; T199-N202 PolarHBondContact OG1-ND2 2.8Å; N202-D205 PolarHBondContact O-N 3.48Å; N202-M206 WeakPolarHBondContact O-CB 3.5Å; N202-M206 VanDerWaalsContact O-CG 3.29Å; N202-M206 WeakPolarHBondContact O-CG 3.2Å; N202-M206 PolarHBondContact O-N 2.87Å
203	F	92.4	Very high	92.7	Very high	1 Å²	1	62 Å²	62	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-44.8	174.9	-177.9	-95.1	0	0	0	112.2	M1 W198 T199 M200 D201 D205 M206 Q207 P365 L369 L377	M1-F203 HydrophobicContact CE-CD2 4.31Å; M1-F203 HydrophobicContact CE-CE2 3.75Å; W198-F203 AromaticContact CH2-CD2 3.3Å; W198-F203 HydrophobicContact CH2-CD2 3.3Å; W198-F203 AromaticContact CH2-CE2 3.75Å; W198-F203 HydrophobicContact CH2-CE2 3.75Å; W198-F203 HydrophobicContact CH2-CG 4.39Å; W198-F203 AromaticContact CZ2-CD2 3.67Å; W198-F203 HydrophobicContact CZ2-CD2 3.67Å; W198-F203 HydrophobicContact CZ2-CE2 4.12Å; W198-F203 HydrophobicContact CZ3-CD2 4.03Å; T199-F203 PolarHBondContact O-N 3.12Å; M200-F203 WeakPolarHBondContact O-CB 3.26Å; M200-F203 PolarHBondContact O-N 3.17Å; D201-F203 VanDerWaalsContact C-N 3.25Å; D201-F203 PolarHBondContact O-N 2.93Å; F203-D205 PolarHBondContact O-N 3.26Å; F203-M206 PolarHBondContact O-N 3.5Å; F203-Q207 HydrophobicContact CD1-CG 3.81Å; F203-Q207 HydrophobicContact CD2-CG 4.19Å; F203-Q207 HydrophobicContact CE1-CB 4.42Å; F203-Q207 HydrophobicContact CE1-CG 3.34Å; F203-Q207 HydrophobicContact CE2-CG 3.8Å; F203-Q207 VanDerWaalsContact CE2-NE2 3.27Å; F203-Q207 HydrophobicContact CG-CG 4.23Å; F203-Q207 HydrophobicContact CZ-CG 3.36Å; F203-Q207 WeakPolarHBondContact O-CB 3.49Å; F203-Q207 WeakPolarHBondContact O-CG 3.4Å; F203-Q207 PolarHBondContact O-N 3.13Å; F203-P365 WeakPolarHBondContact CZ-O 3.45Å; F203-L369 HydrophobicContact CD1-CD1 4.02Å; F203-L369 HydrophobicContact CD2-CD2 4.12Å; F203-L369 HydrophobicContact CE1-CD1 3.46Å; F203-L369 VanDerWaalsContact CE1-CD1 3.46Å; F203-L369 HydrophobicContact CE1-CD2 4.29Å; F203-L369 HydrophobicContact CE1-CG 3.98Å; F203-L369 HydrophobicContact CE2-CD1 4.39Å; F203-L369 HydrophobicContact CE2-CD2 3.75Å; F203-L369 HydrophobicContact CE2-CG 4.04Å; F203-L369 HydrophobicContact CG-CD2 4.49Å; F203-L369 HydrophobicContact CZ-CD1 3.66Å; F203-L369 HydrophobicContact CZ-CD2 3.84Å; F203-L369 HydrophobicContact CZ-CG 3.61Å; F203-L377 HydrophobicContact CD1-CD1 3.89Å; F203-L377 HydrophobicContact CD1-CD2 4.21Å; F203-L377 HydrophobicContact CE1-CD1 4.46Å; F203-L377 HydrophobicContact CE1-CD2 3.96Å
204	I	94.4	Very high	92.7	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-56.4	-51.9	177	-71	162.4	0	0	0	109.8	M200 D201 M206 Q207 V208 L236 K239 L377 Q380 L381	M200-I204 VanDerWaalsContact O-CG1 3.24Å; M200-I204 WeakPolarHBondContact O-CG1 3.5Å; M200-I204 PolarHBondContact O-N 3.35Å; D201-I204 WeakPolarHBondContact O-CB 3.47Å; D201-I204 PolarHBondContact O-N 3.34Å; D201-I204 VanDerWaalsContact O-N 3.17Å; I204-M206 VanDerWaalsContact C-N 3.33Å; I204-M206 PolarHBondContact O-N 2.87Å; I204-Q207 PolarHBondContact O-N 3.47Å; I204-V208 HydrophobicContact CG2-CG2 4.14Å; I204-V208 WeakPolarHBondContact O-CB 3.46Å; I204-V208 VanDerWaalsContact O-CG2 3.25Å; I204-V208 WeakPolarHBondContact O-CG2 3.28Å; I204-V208 PolarHBondContact O-N 2.8Å; I204-L236 HydrophobicContact CG2-CD1 4.38Å; I204-K239 HydrophobicContact CG2-CD 3.93Å; I204-L377 HydrophobicContact CD1-CD1 3.8Å; I204-L377 HydrophobicContact CG1-CD1 3.25Å; I204-Q380 HydrophobicContact CD1-CB 3.83Å; I204-L381 HydrophobicContact CD1-CD2 3.9Å; I204-L381 HydrophobicContact CD1-CG 4.02Å; I204-L381 HydrophobicContact CG1-CD2 4.12Å; I204-L381 HydrophobicContact CG1-CG 4.42Å; I204-L381 HydrophobicContact CG2-CD2 4.18Å
205	D	92.8	Very high	92.6	Very high	107 Å²	107	58.4 Å²	58.4	57%	0.572	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-43.9	-177.4	-75.5	-16.8	0	0	0	111.6	D201 N202 F203 A209	D201-D205 PolarHBondContact O-N 3.28Å; D201-D205 VanDerWaalsContact O-N 3.12Å; N202-D205 PolarHBondContact O-N 3.48Å; F203-D205 PolarHBondContact O-N 3.26Å; D205-A209 WeakPolarHBondContact O-CB 3.34Å; D205-A209 PolarHBondContact O-N 2.87Å
206	M	92.1	Very high	92.8	Very high	61 Å²	61	52.8 Å²	52.8	30%	0.3	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-44.9	176.2	-76.7	-175.5	51.8	0	0	112.9	M1 V4 N202 F203 I204 A209 K210	M1-M206 HydrophobicContact CB-CE 3.97Å; M1-M206 HydrophobicContact CG-CE 3.64Å; V4-M206 HydrophobicContact CG2-CE 3.5Å; V4-M206 VanDerWaalsContact CG2-CE 3.5Å; V4-M206 HydrophobicContact CG2-SD 3.57Å; V4-M206 VanDerWaalsContact CG2-SD 3.57Å; N202-M206 WeakPolarHBondContact O-CB 3.5Å; N202-M206 VanDerWaalsContact O-CG 3.29Å; N202-M206 WeakPolarHBondContact O-CG 3.2Å; N202-M206 PolarHBondContact O-N 2.87Å; F203-M206 PolarHBondContact O-N 3.5Å; I204-M206 VanDerWaalsContact C-N 3.33Å; I204-M206 PolarHBondContact O-N 2.87Å; M206-A209 PolarHBondContact O-N 3.17Å; M206-K210 WeakPolarHBondContact O-CB 3.38Å; M206-K210 PolarHBondContact O-N 3.25Å
207	Q	94.7	Very high	92.9	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-40.4	179.6	-71.3	-53.4	-30.9	0	0	111.7	M1 F203 I204 A209 K210 I211 L236	M1-Q207 VanDerWaalsContact CE-NE2 3.27Å; F203-Q207 HydrophobicContact CD1-CG 3.81Å; F203-Q207 HydrophobicContact CD2-CG 4.19Å; F203-Q207 HydrophobicContact CE1-CB 4.42Å; F203-Q207 HydrophobicContact CE1-CG 3.34Å; F203-Q207 HydrophobicContact CE2-CG 3.8Å; F203-Q207 VanDerWaalsContact CE2-NE2 3.27Å; F203-Q207 HydrophobicContact CG-CG 4.23Å; F203-Q207 HydrophobicContact CZ-CG 3.36Å; F203-Q207 WeakPolarHBondContact O-CB 3.49Å; F203-Q207 WeakPolarHBondContact O-CG 3.4Å; F203-Q207 PolarHBondContact O-N 3.13Å; I204-Q207 PolarHBondContact O-N 3.47Å; Q207-A209 VanDerWaalsContact C-N 3.3Å; Q207-A209 PolarHBondContact O-N 3.46Å; Q207-K210 PolarHBondContact O-N 3.4Å; Q207-I211 HydrophobicContact CB-CD1 4.39Å; Q207-I211 WeakPolarHBondContact O-CB 3.34Å; Q207-I211 WeakPolarHBondContact O-CD1 3.25Å; Q207-I211 WeakPolarHBondContact O-CG1 3.36Å; Q207-I211 PolarHBondContact O-N 3.05Å; Q207-L236 HydrophobicContact CB-CD2 4.19Å
208	V	96	Very high	93.2	Very high	11 Å²	11	59.2 Å²	59.2	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-45.2	175.4	164.9	0	0	0	0	110.4	I204 R212 L236 K239 A240	I204-V208 HydrophobicContact CG2-CG2 4.14Å; I204-V208 WeakPolarHBondContact O-CB 3.46Å; I204-V208 VanDerWaalsContact O-CG2 3.25Å; I204-V208 WeakPolarHBondContact O-CG2 3.28Å; I204-V208 PolarHBondContact O-N 2.8Å; V208-R212 WeakPolarHBondContact O-CB 3.41Å; V208-R212 VanDerWaalsContact O-CG 3.32Å; V208-R212 WeakPolarHBondContact O-CG 3.45Å; V208-R212 PolarHBondContact O-N 3.42Å; V208-L236 HydrophobicContact CG2-CD1 4.07Å; V208-K239 HydrophobicContact CG2-CD 4.26Å; V208-K239 HydrophobicContact CG2-CG 4.43Å; V208-A240 HydrophobicContact CB-CB 4.39Å; V208-A240 HydrophobicContact CG1-CB 4.2Å; V208-A240 HydrophobicContact CG2-CB 4.17Å
209	A	95.3	Very high	93.4	Very high	58 Å²	58	61.6 Å²	61.6	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-47.9	175.9	0	0	0	0	0	111.9	D205 M206 Q207 I211 R212 E213	D205-A209 WeakPolarHBondContact O-CB 3.34Å; D205-A209 PolarHBondContact O-N 2.87Å; M206-A209 PolarHBondContact O-N 3.17Å; Q207-A209 VanDerWaalsContact C-N 3.3Å; Q207-A209 PolarHBondContact O-N 3.46Å; A209-I211 PolarHBondContact O-N 3.47Å; A209-R212 PolarHBondContact O-N 3.23Å; A209-E213 PolarHBondContact O-N 3.01Å
210	K	94.6	Very high	93.7	Very high	90 Å²	90	59 Å²	59	39%	0.391	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-45.8	178.4	-175.8	-172.3	173.9	-166.8	0	112.2	M206 Q207 E213 Q214	M206-K210 WeakPolarHBondContact O-CB 3.38Å; M206-K210 PolarHBondContact O-N 3.25Å; Q207-K210 PolarHBondContact O-N 3.4Å; K210-E213 PolarHBondContact O-N 3.49Å; K210-Q214 WeakPolarHBondContact O-CB 3.48Å; K210-Q214 PolarHBondContact O-N 3.26Å
211	I	96.5	Very high	93.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-46	179.7	-69.7	160.2	0	0	0	109.9	Q207 A209 E213 Q214 V215 L236 L237 A240 I241 P365	Q207-I211 HydrophobicContact CB-CD1 4.39Å; Q207-I211 WeakPolarHBondContact O-CB 3.34Å; Q207-I211 WeakPolarHBondContact O-CD1 3.25Å; Q207-I211 WeakPolarHBondContact O-CG1 3.36Å; Q207-I211 PolarHBondContact O-N 3.05Å; A209-I211 PolarHBondContact O-N 3.47Å; I211-E213 VanDerWaalsContact C-N 3.34Å; I211-E213 PolarHBondContact O-N 3.48Å; I211-Q214 PolarHBondContact O-N 2.85Å; I211-V215 HydrophobicContact CG2-CG2 4.01Å; I211-V215 VanDerWaalsContact O-CB 3.26Å; I211-V215 WeakPolarHBondContact O-CB 3.4Å; I211-V215 VanDerWaalsContact O-CG2 3.24Å; I211-V215 WeakPolarHBondContact O-CG2 3.47Å; I211-V215 PolarHBondContact O-N 2.95Å; I211-L236 HydrophobicContact CD1-CD2 4.21Å; I211-L236 HydrophobicContact CD1-CG 4.11Å; I211-L237 HydrophobicContact CD1-CD2 4.1Å; I211-L237 HydrophobicContact CG1-CD2 4.46Å; I211-L237 HydrophobicContact CG2-CD2 3.82Å; I211-A240 HydrophobicContact CB-CB 4.06Å; I211-A240 HydrophobicContact CD1-CB 4.31Å; I211-A240 HydrophobicContact CG2-CB 3.74Å; I211-I241 HydrophobicContact CG2-CG2 3.87Å; I211-P365 HydrophobicContact CD1-CB 4.14Å
212	R	96.9	Very high	94.1	Very high	141 Å²	141	54.1 Å²	54.1	53%	0.532	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-42.3	178.1	-75.4	174.2	175.6	162.7	4.9	112.5	V208 A209 G216 K239 A240 I241	V208-R212 WeakPolarHBondContact O-CB 3.41Å; V208-R212 VanDerWaalsContact O-CG 3.32Å; V208-R212 WeakPolarHBondContact O-CG 3.45Å; V208-R212 PolarHBondContact O-N 3.42Å; A209-R212 PolarHBondContact O-N 3.23Å; R212-G216 PolarHBondContact O-N 2.79Å; R212-K239 PolarHBondContact NH2-O 3.1Å; R212-A240 WeakPolarHBondContact CG-O 3.37Å; R212-A240 PolarHBondContact NE-O 3.29Å; R212-A240 PolarHBondContact NH2-O 3.48Å; R212-I241 HydrophobicContact CG-CG2 4.46Å
213	E	96.2	Very high	94.2	Very high	169 Å²	169	51.8 Å²	51.8	79%	0.79	27%	0.27	S	S	*	.	H	α-helix	trans	-64.2	-45.7	177	-177	178.5	-162.7	0	0	111.7	A209 K210 I211	A209-E213 PolarHBondContact O-N 3.01Å; K210-E213 PolarHBondContact O-N 3.49Å; I211-E213 VanDerWaalsContact C-N 3.34Å; I211-E213 PolarHBondContact O-N 3.48Å
214	Q	95.2	Very high	94	Very high	77 Å²	77	51.8 Å²	51.8	36%	0.36	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-43.9	-179	-175.2	177.9	-5.7	0	0	112.3	K210 I211 F324 L362	K210-Q214 WeakPolarHBondContact O-CB 3.48Å; K210-Q214 PolarHBondContact O-N 3.26Å; I211-Q214 PolarHBondContact O-N 2.85Å; Q214-F324 HydrophobicContact CG-CE1 4.18Å; Q214-F324 HydrophobicContact CG-CZ 4.43Å; Q214-F324 VanDerWaalsContact O-CZ 3.31Å; Q214-F324 WeakPolarHBondContact O-CZ 3.31Å; Q214-L362 PolarHBondContact NE2-O 3Å
215	V	95.6	Very high	93.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-79	-38.8	-174.2	175.6	0	0	0	0	112	I211 D217 K218 V220 I241 F324 I363	I211-V215 HydrophobicContact CG2-CG2 4.01Å; I211-V215 VanDerWaalsContact O-CB 3.26Å; I211-V215 WeakPolarHBondContact O-CB 3.4Å; I211-V215 VanDerWaalsContact O-CG2 3.24Å; I211-V215 WeakPolarHBondContact O-CG2 3.47Å; I211-V215 PolarHBondContact O-N 2.95Å; V215-D217 PolarHBondContact O-N 2.79Å; V215-K218 WeakPolarHBondContact CG1-O 3.33Å; V215-K218 WeakPolarHBondContact O-CB 3.45Å; V215-K218 PolarHBondContact O-N 3.4Å; V215-V220 HydrophobicContact CB-CG2 4.48Å; V215-V220 HydrophobicContact CG1-CG2 3.79Å; V215-V220 HydrophobicContact CG2-CG2 3.75Å; V215-I241 HydrophobicContact CB-CG2 4.36Å; V215-I241 HydrophobicContact CG1-CD1 4.34Å; V215-I241 HydrophobicContact CG1-CG2 4.33Å; V215-F324 HydrophobicContact CB-CE2 4.33Å; V215-F324 HydrophobicContact CG1-CD2 4.36Å; V215-F324 HydrophobicContact CG1-CE2 4.35Å; V215-F324 HydrophobicContact CG2-CD2 4.33Å; V215-F324 HydrophobicContact CG2-CE2 4.36Å; V215-I363 HydrophobicContact CG2-CD1 3.4Å
216	G	95	Very high	92.7	Very high	42 Å²	42	49.7 Å²	49.7	43%	0.433	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-123.6	-172.5	0	0	0	0	0	111.5	R212 Q244	R212-G216 PolarHBondContact O-N 2.79Å; G216-Q244 PolarHBondContact O-NE2 3.29Å
217	D	92.8	Very high	92.4	Very high	148 Å²	148	48.3 Å²	48.3	79%	0.791	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2	179.2	62.4	-20.4	0	0	0	114	V215	V215-D217 PolarHBondContact O-N 2.79Å
218	K	93	Very high	92.1	Very high	82 Å²	82	48.7 Å²	48.7	36%	0.357	27%	0.268	S	S	.	.			trans	-76.9	166.1	-179.8	-59.8	173.3	175	-178.3	0	111.6	V215 Q244 F324 E361	V215-K218 WeakPolarHBondContact CG1-O 3.33Å; V215-K218 WeakPolarHBondContact O-CB 3.45Å; V215-K218 PolarHBondContact O-N 3.4Å; K218-Q244 PolarHBondContact O-NE2 3.42Å; K218-F324 HydrophobicContact CB-CD2 4.14Å; K218-F324 HydrophobicContact CB-CE2 3.87Å; K218-F324 HydrophobicContact CD-CD2 4.41Å; K218-F324 HydrophobicContact CD-CE2 3.59Å; K218-F324 HydrophobicContact CD-CZ 4.21Å; K218-F324 HydrophobicContact CG-CE2 4.36Å; K218-E361 IonicContact NZ-OE1 2.69Å
219	K	93.6	Very high	91.9	Very high	64 Å²	64	49.8 Å²	49.8	28%	0.278	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	151.1	177.9	-69.7	-171.8	175.9	-176	0	113.3	Q244 E320 I322 S323 F324	K219-Q244 WeakPolarHBondContact CA-O 3.47Å; K219-E320 HydrophobicContact CD-CB 4.02Å; K219-E320 IonicContact NZ-OE2 3.08Å; K219-E320 PolarHBondContact NZ-OE2 3.3Å; K219-I322 HydrophobicContact CB-CG1 4.29Å; K219-S323 PolarHBondContact O-N 2.94Å; K219-S323 VanDerWaalsContact O-N 3.13Å; K219-F324 PolarHBondContact O-N 2.79Å
220	V	94.6	Very high	91.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.1	-177.8	-174.1	0	0	0	0	110	V215 L237 I241 Q244 L245 T246 F324 A326 I363	V215-V220 HydrophobicContact CB-CG2 4.48Å; V215-V220 HydrophobicContact CG1-CG2 3.79Å; V215-V220 HydrophobicContact CG2-CG2 3.75Å; V220-L237 HydrophobicContact CG1-CD1 4.27Å; V220-I241 HydrophobicContact CB-CD1 3.84Å; V220-I241 HydrophobicContact CG2-CD1 3.35Å; V220-Q244 PolarHBondContact N-O 2.54Å; V220-L245 HydrophobicContact CG1-CD1 4.5Å; V220-T246 PolarHBondContact O-N 3.06Å; V220-F324 HydrophobicContact CB-CB 4.31Å; V220-F324 HydrophobicContact CG1-CB 4.14Å; V220-F324 HydrophobicContact CG2-CB 3.96Å; V220-F324 HydrophobicContact CG2-CD2 4.31Å; V220-F324 HydrophobicContact CG2-CG 4.46Å; V220-A326 HydrophobicContact CG1-CB 3.85Å; V220-I363 HydrophobicContact CG1-CD1 4.23Å; V220-I363 HydrophobicContact CG2-CD1 3.99Å
221	L	93.3	Very high	91.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.3	170.2	-170.7	65.3	0	0	0	110.6	T246 I248 F309 A313 L316 I322 F324 L325 A326	L221-T246 CarbonylContact C-O 3.5Å; L221-T246 VanDerWaalsContact CA-O 3.29Å; L221-T246 WeakPolarHBondContact CA-O 3.43Å; L221-T246 HydrophobicContact CD1-CG2 4.29Å; L221-I248 HydrophobicContact CD1-CD1 3.79Å; L221-I248 HydrophobicContact CD1-CG1 3.93Å; L221-I248 HydrophobicContact CD2-CD1 4.07Å; L221-I248 HydrophobicContact CG-CD1 4.31Å; L221-F309 HydrophobicContact CD2-CE1 4.39Å; L221-F309 HydrophobicContact CD2-CZ 4.04Å; L221-F309 HydrophobicContact CG-CZ 4.31Å; L221-A313 HydrophobicContact CD2-CB 3.39Å; L221-L316 HydrophobicContact CD1-CD1 3.98Å; L221-I322 HydrophobicContact CB-CD1 4.13Å; L221-I322 HydrophobicContact CB-CG2 3.77Å; L221-I322 HydrophobicContact CD1-CD1 4.02Å; L221-I322 HydrophobicContact CG-CD1 4.49Å; L221-F324 PolarHBondContact N-O 3.42Å; L221-L325 HydrophobicContact CB-CD1 4.22Å; L221-L325 HydrophobicContact CD2-CD1 4.32Å; L221-L325 HydrophobicContact CG-CD1 4.33Å; L221-A326 PolarHBondContact O-N 3.12Å
222	L	92.9	Very high	91.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.6	173	173.7	64.8	0	0	0	111.2	L224 V233 L245 T246 S247 I248 A326	L222-L224 HydrophobicContact CD2-CD2 3.89Å; L222-L224 HydrophobicContact CD2-CG 4.11Å; L222-L224 HydrophobicContact CG-CD2 4.49Å; L222-L224 HydrophobicContact CG-CG 4.36Å; L222-V233 HydrophobicContact CD1-CB 4.4Å; L222-V233 HydrophobicContact CD1-CG1 3.78Å; L222-V233 HydrophobicContact CD2-CG1 4.16Å; L222-L245 HydrophobicContact CB-CD1 3.92Å; L222-T246 PolarHBondContact N-O 2.98Å; L222-S247 CarbonylContact O-C 3.54Å; L222-S247 VanDerWaalsContact O-CA 3.27Å; L222-S247 WeakPolarHBondContact O-CA 3.4Å; L222-I248 PolarHBondContact O-N 2.64Å; L222-A326 HydrophobicContact CB-CB 4.31Å; L222-A326 HydrophobicContact CD1-CB 3.94Å; L222-A326 WeakPolarHBondContact CD1-O 3.3Å
223	G	89.6	Confident	91.4	Very high	23 Å²	23	36.6 Å²	36.6	24%	0.237	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.9	163.6	0	0	0	0	0	111.6	F309	G223-F309 VanDerWaalsContact CA-CE2 3.44Å
224	L	88.4	Confident	91.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	124	172.5	-78.5	173.3	0	0	0	110	L222 S230 S247 I248 F249 L267 L273 I275	L222-L224 HydrophobicContact CD2-CD2 3.89Å; L222-L224 HydrophobicContact CD2-CG 4.11Å; L222-L224 HydrophobicContact CG-CD2 4.49Å; L222-L224 HydrophobicContact CG-CG 4.36Å; L224-S230 WeakPolarHBondContact CD2-O 3.35Å; L224-S247 VanDerWaalsContact CD1-CB 3.44Å; L224-I248 PolarHBondContact N-O 2.76Å; L224-F249 HydrophobicContact CB-CB 4.3Å; L224-F249 HydrophobicContact CB-CD2 4.31Å; L224-F249 VanDerWaalsContact O-CD2 3.3Å; L224-F249 WeakPolarHBondContact O-CD2 3.49Å; L224-L267 HydrophobicContact CD1-CD1 4.19Å; L224-L267 HydrophobicContact CD2-CD1 3.99Å; L224-L273 HydrophobicContact CD1-CD2 4.21Å; L224-I275 HydrophobicContact CD1-CD1 3.76Å; L224-I275 HydrophobicContact CD1-CG1 3.83Å; L224-I275 HydrophobicContact CD1-CG2 4.15Å
225	S	81.8	Confident	91.4	Very high	66 Å²	66	25.1 Å²	25.1	46%	0.462	16%	0.158	S	C	.	.			trans	-101.4	-10.2	174	60.8	0	0	0	0	113.4	G227 S230	S225-G227 PolarHBondContact O-N 3.35Å; S225-G227 PolarHBondContact OG-N 2.9Å; S225-S230 PolarHBondContact N-OG 2.83Å; S225-S230 PolarHBondContact OG-OG 3.24Å
226	G	78.9	Confident	91.4	Very high	2 Å²	2	25 Å²	25	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	77.1	1.2	-169.8	0	0	0	0	0	114.3	R390	G226-R390 PolarHBondContact O-NH1 3.45Å
227	G	84.8	Confident	91.5	Very high	32 Å²	32	23 Å²	23	33%	0.33	14%	0.137	S	C	.	.	S	Bend	trans	-73.8	161.3	166.8	0	0	0	0	0	111.8	S225 D229 S230 S231	S225-G227 PolarHBondContact O-N 3.35Å; S225-G227 PolarHBondContact OG-N 2.9Å; G227-D229 VanDerWaalsContact C-N 3.34Å; G227-D229 PolarHBondContact O-N 3.16Å; G227-S230 PolarHBondContact O-OG 3.19Å; G227-S231 VanDerWaalsContact O-CB 3.3Å; G227-S231 WeakPolarHBondContact O-CB 3.42Å; G227-S231 PolarHBondContact O-N 2.89Å; G227-S231 VanDerWaalsContact O-N 3.11Å; G227-S231 PolarHBondContact O-OG 3.49Å
228	V	89.1	Confident	91.6	Very high	11 Å²	11	17.6 Å²	17.6	7%	0.067	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-41.3	-178.2	63.4	0	0	0	0	112.5	S231 V232 R375	V228-S231 PolarHBondContact O-N 3.32Å; V228-V232 HydrophobicContact CG2-CG2 4.04Å; V228-V232 WeakPolarHBondContact O-CB 3.32Å; V228-V232 WeakPolarHBondContact O-CG2 3.29Å; V228-V232 PolarHBondContact O-N 2.94Å; V228-R375 HydrophobicContact CG2-CG 4.26Å
229	D	91	Very high	91.7	Very high	34 Å²	34	19.1 Å²	19.1	18%	0.182	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-52.5	-174.5	-50.7	-28	0	0	0	111.5	G227 S231 V232 V233 L330 L366 K371	G227-D229 VanDerWaalsContact C-N 3.34Å; G227-D229 PolarHBondContact O-N 3.16Å; D229-S231 VanDerWaalsContact C-N 3.27Å; D229-S231 PolarHBondContact O-N 3.5Å; D229-V232 PolarHBondContact O-N 3.14Å; D229-V233 WeakPolarHBondContact O-CG2 3.44Å; D229-V233 PolarHBondContact O-N 3.16Å; D229-L330 HydrophobicContact CB-CD2 4.48Å; D229-L366 HydrophobicContact CB-CD1 4.46Å; D229-K371 WeakPolarHBondContact OD1-CD 3.26Å; D229-K371 IonicContact OD1-NZ 3.78Å; D229-K371 PolarHBondContact OD1-NZ 2.75Å; D229-K371 IonicContact OD2-NZ 3Å; D229-K371 PolarHBondContact OD2-NZ 3.34Å
230	S	90.6	Very high	91.8	Very high	11 Å²	11	16.4 Å²	16.4	8%	0.077	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-35.8	178.6	57.7	0	0	0	0	111.7	L224 S225 G227 G234	L224-S230 WeakPolarHBondContact CD2-O 3.35Å; S225-S230 PolarHBondContact N-OG 2.83Å; S225-S230 PolarHBondContact OG-OG 3.24Å; G227-S230 PolarHBondContact O-OG 3.19Å; S230-G234 PolarHBondContact O-N 3.1Å
231	S	92.8	Very high	91.9	Very high	2 Å²	2	17 Å²	17	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-44.6	175.5	-56.6	0	0	0	0	112	G227 V228 D229 G234 V235	G227-S231 VanDerWaalsContact O-CB 3.3Å; G227-S231 WeakPolarHBondContact O-CB 3.42Å; G227-S231 PolarHBondContact O-N 2.89Å; G227-S231 VanDerWaalsContact O-N 3.11Å; G227-S231 PolarHBondContact O-OG 3.49Å; V228-S231 PolarHBondContact O-N 3.32Å; D229-S231 VanDerWaalsContact C-N 3.27Å; D229-S231 PolarHBondContact O-N 3.5Å; S231-G234 PolarHBondContact O-N 2.68Å; S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.2Å
232	V	94.9	Very high	92	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-41.8	177.7	171.3	0	0	0	0	110.9	V228 D229 G234 V235 L236 L366 V374 L377 L381 M383	V228-V232 HydrophobicContact CG2-CG2 4.04Å; V228-V232 WeakPolarHBondContact O-CB 3.32Å; V228-V232 WeakPolarHBondContact O-CG2 3.29Å; V228-V232 PolarHBondContact O-N 2.94Å; D229-V232 PolarHBondContact O-N 3.14Å; V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 2.94Å; V232-V235 PolarHBondContact O-N 3.07Å; V232-L236 VanDerWaalsContact O-CB 3.28Å; V232-L236 WeakPolarHBondContact O-CB 3.18Å; V232-L236 PolarHBondContact O-N 2.8Å; V232-L366 HydrophobicContact CB-CD1 4.46Å; V232-L366 HydrophobicContact CG1-CD1 4.3Å; V232-L366 HydrophobicContact CG1-CD2 4.2Å; V232-V374 HydrophobicContact CB-CG1 4.06Å; V232-V374 HydrophobicContact CG1-CG1 4.16Å; V232-V374 HydrophobicContact CG2-CG1 3.99Å; V232-L377 HydrophobicContact CG1-CB 4.35Å; V232-L377 HydrophobicContact CG1-CD2 3.59Å; V232-L377 HydrophobicContact CG1-CG 3.92Å; V232-L381 HydrophobicContact CG1-CD1 4.2Å; V232-M383 HydrophobicContact CB-SD 4.41Å; V232-M383 HydrophobicContact CG2-CE 4.14Å; V232-M383 HydrophobicContact CG2-SD 3.69Å
233	V	95.5	Very high	92	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-47.9	171.6	173.1	0	0	0	0	110.9	L222 D229 V235 L236 L237 A326 P365 L366	L222-V233 HydrophobicContact CD1-CB 4.4Å; L222-V233 HydrophobicContact CD1-CG1 3.78Å; L222-V233 HydrophobicContact CD2-CG1 4.16Å; D229-V233 WeakPolarHBondContact O-CG2 3.44Å; D229-V233 PolarHBondContact O-N 3.16Å; V233-V235 PolarHBondContact O-N 2.91Å; V233-L236 PolarHBondContact O-N 2.98Å; V233-L237 HydrophobicContact CG1-CD1 3.56Å; V233-L237 HydrophobicContact CG1-CG 4.14Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.24Å; V233-L237 PolarHBondContact O-N 3.49Å; V233-A326 HydrophobicContact CG1-CB 4.18Å; V233-P365 HydrophobicContact CG1-CG 4.05Å; V233-P365 HydrophobicContact CG2-CG 4.03Å; V233-L366 HydrophobicContact CG2-CD1 3.51Å; V233-L366 HydrophobicContact CG2-CG 3.67Å
234	G	95.1	Very high	92.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-46.7	179.7	0	0	0	0	0	112.6	S230 S231 V232 L237 Q238 L245	S230-G234 PolarHBondContact O-N 3.1Å; S231-G234 PolarHBondContact O-N 2.68Å; V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 2.94Å; G234-L237 PolarHBondContact O-N 3.1Å; G234-Q238 VanDerWaalsContact O-CB 3.31Å; G234-Q238 WeakPolarHBondContact O-CB 3.31Å; G234-Q238 PolarHBondContact O-N 3.25Å; G234-L245 WeakPolarHBondContact O-CD2 3.4Å
235	V	95.1	Very high	92.6	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-39.7	178.8	177.9	0	0	0	0	111.7	S231 V232 V233 Q238 K239 L267 F271 L273 L381 M383	S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.2Å; V232-V235 PolarHBondContact O-N 3.07Å; V233-V235 PolarHBondContact O-N 2.91Å; V235-Q238 PolarHBondContact O-N 3.34Å; V235-K239 WeakPolarHBondContact O-CB 3.47Å; V235-K239 PolarHBondContact O-N 3.39Å; V235-L267 HydrophobicContact CG2-CD2 3.96Å; V235-F271 HydrophobicContact CG1-CD1 3.69Å; V235-F271 HydrophobicContact CG1-CE1 3.83Å; V235-F271 HydrophobicContact CG1-CG 4.31Å; V235-F271 HydrophobicContact CG2-CB 4.34Å; V235-F271 HydrophobicContact CG2-CD1 4.09Å; V235-F271 HydrophobicContact CG2-CD2 4Å; V235-F271 HydrophobicContact CG2-CE1 4.46Å; V235-F271 HydrophobicContact CG2-CE2 4.4Å; V235-F271 HydrophobicContact CG2-CG 3.87Å; V235-L273 HydrophobicContact CG2-CD1 4.35Å; V235-L381 HydrophobicContact CB-CD1 4.4Å; V235-L381 HydrophobicContact CG1-CB 3.84Å; V235-L381 HydrophobicContact CG1-CD1 4.16Å; V235-L381 HydrophobicContact CG1-CG 4.4Å; V235-M383 HydrophobicContact CB-CG 4.46Å; V235-M383 HydrophobicContact CB-SD 4.18Å; V235-M383 HydrophobicContact CG1-CG 4.35Å; V235-M383 HydrophobicContact CG2-CE 4.43Å; V235-M383 HydrophobicContact CG2-CG 4.01Å; V235-M383 HydrophobicContact CG2-SD 3.89Å
236	L	96.3	Very high	93.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-45.4	176.7	-179.1	62.7	0	0	0	111.8	I204 Q207 V208 I211 V232 V233 K239 A240 P365 L366 L381	I204-L236 HydrophobicContact CG2-CD1 4.38Å; Q207-L236 HydrophobicContact CB-CD2 4.19Å; V208-L236 HydrophobicContact CG2-CD1 4.07Å; I211-L236 HydrophobicContact CD1-CD2 4.21Å; I211-L236 HydrophobicContact CD1-CG 4.11Å; V232-L236 VanDerWaalsContact O-CB 3.28Å; V232-L236 WeakPolarHBondContact O-CB 3.18Å; V232-L236 PolarHBondContact O-N 2.8Å; V233-L236 PolarHBondContact O-N 2.98Å; L236-K239 PolarHBondContact O-N 2.98Å; L236-A240 WeakPolarHBondContact O-CB 3.48Å; L236-A240 PolarHBondContact O-N 3.06Å; L236-P365 HydrophobicContact CD2-CB 3.87Å; L236-P365 HydrophobicContact CD2-CG 4.27Å; L236-L366 HydrophobicContact CD2-CD2 4.48Å; L236-L381 HydrophobicContact CB-CD1 4.13Å; L236-L381 HydrophobicContact CD1-CD2 4.45Å
237	L	96.7	Very high	93.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-44.1	176	-71.9	172	0	0	0	111.2	I211 V220 V233 G234 K239 A240 I241 L245 A326 I363	I211-L237 HydrophobicContact CD1-CD2 4.1Å; I211-L237 HydrophobicContact CG1-CD2 4.46Å; I211-L237 HydrophobicContact CG2-CD2 3.82Å; V220-L237 HydrophobicContact CG1-CD1 4.27Å; V233-L237 HydrophobicContact CG1-CD1 3.56Å; V233-L237 HydrophobicContact CG1-CG 4.14Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 VanDerWaalsContact O-CG 3.31Å; V233-L237 WeakPolarHBondContact O-CG 3.24Å; V233-L237 PolarHBondContact O-N 3.49Å; G234-L237 PolarHBondContact O-N 3.1Å; L237-K239 VanDerWaalsContact C-N 3.27Å; L237-K239 PolarHBondContact O-N 2.92Å; L237-A240 PolarHBondContact O-N 2.93Å; L237-I241 WeakPolarHBondContact O-CG1 3.44Å; L237-I241 PolarHBondContact O-N 3.11Å; L237-L245 HydrophobicContact CB-CD1 4.23Å; L237-L245 HydrophobicContact CB-CD2 3.87Å; L237-L245 HydrophobicContact CD1-CD1 4Å; L237-A326 HydrophobicContact CD1-CB 3.42Å; L237-A326 VanDerWaalsContact CD1-CB 3.42Å; L237-I363 HydrophobicContact CD2-CG2 4.44Å
238	Q	96	Very high	94.2	Very high	34 Å²	34	21.6 Å²	21.6	16%	0.159	11%	0.114	C	C	.	.	H	α-helix	trans	-56.8	-43	176.2	-174.6	65.6	23.5	0	0	111.4	G234 V235 A240 G242 L245 F271 G272 L273	G234-Q238 VanDerWaalsContact O-CB 3.31Å; G234-Q238 WeakPolarHBondContact O-CB 3.31Å; G234-Q238 PolarHBondContact O-N 3.25Å; V235-Q238 PolarHBondContact O-N 3.34Å; Q238-A240 VanDerWaalsContact C-N 3.31Å; Q238-A240 PolarHBondContact O-N 3.17Å; Q238-G242 VanDerWaalsContact O-CA 3.29Å; Q238-G242 WeakPolarHBondContact O-CA 3.42Å; Q238-G242 PolarHBondContact O-N 3.14Å; Q238-L245 HydrophobicContact CB-CD2 4.26Å; Q238-F271 WeakPolarHBondContact CG-O 3.36Å; Q238-G272 PolarHBondContact NE2-O 2.88Å; Q238-L273 HydrophobicContact CB-CD1 3.84Å; Q238-L273 HydrophobicContact CB-CG 4.17Å; Q238-L273 HydrophobicContact CG-CD1 3.96Å; Q238-L273 HydrophobicContact CG-CG 4.4Å
239	K	95.1	Very high	94.4	Very high	114 Å²	114	21.1 Å²	21.1	50%	0.496	11%	0.111	S	C	.	.	H	α-helix	trans	-63.9	-36.5	174.8	-172.2	-174.4	179.1	102	0	112.2	I204 V208 R212 V235 L236 L237 L381	I204-K239 HydrophobicContact CG2-CD 3.93Å; V208-K239 HydrophobicContact CG2-CD 4.26Å; V208-K239 HydrophobicContact CG2-CG 4.43Å; R212-K239 PolarHBondContact NH2-O 3.1Å; V235-K239 WeakPolarHBondContact O-CB 3.47Å; V235-K239 PolarHBondContact O-N 3.39Å; L236-K239 PolarHBondContact O-N 2.98Å; L237-K239 VanDerWaalsContact C-N 3.27Å; L237-K239 PolarHBondContact O-N 2.92Å; K239-L381 HydrophobicContact CD-CD2 3.81Å
240	A	96.2	Very high	94.4	Very high	6 Å²	6	19.7 Å²	19.7	5%	0.05	10%	0.104	C	C	.	.	H	α-helix	trans	-76.3	-49.9	-177	0	0	0	0	0	112.9	V208 I211 R212 L236 L237 Q238	V208-A240 HydrophobicContact CB-CB 4.39Å; V208-A240 HydrophobicContact CG1-CB 4.2Å; V208-A240 HydrophobicContact CG2-CB 4.17Å; I211-A240 HydrophobicContact CB-CB 4.06Å; I211-A240 HydrophobicContact CD1-CB 4.31Å; I211-A240 HydrophobicContact CG2-CB 3.74Å; R212-A240 WeakPolarHBondContact CG-O 3.37Å; R212-A240 PolarHBondContact NE-O 3.29Å; R212-A240 PolarHBondContact NH2-O 3.48Å; L236-A240 WeakPolarHBondContact O-CB 3.48Å; L236-A240 PolarHBondContact O-N 3.06Å; L237-A240 PolarHBondContact O-N 2.93Å; Q238-A240 VanDerWaalsContact C-N 3.31Å; Q238-A240 PolarHBondContact O-N 3.17Å
241	I	96.5	Very high	94.6	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.062	11%	0.106	C	C	.	.	H	α-helix	trans	-128.1	-1.1	-164.6	62	169	0	0	0	114.3	I211 R212 V215 V220 L237 D243 Q244 L245	I211-I241 HydrophobicContact CG2-CG2 3.87Å; R212-I241 HydrophobicContact CG-CG2 4.46Å; V215-I241 HydrophobicContact CB-CG2 4.36Å; V215-I241 HydrophobicContact CG1-CD1 4.34Å; V215-I241 HydrophobicContact CG1-CG2 4.33Å; V220-I241 HydrophobicContact CB-CD1 3.84Å; V220-I241 HydrophobicContact CG2-CD1 3.35Å; L237-I241 WeakPolarHBondContact O-CG1 3.44Å; L237-I241 PolarHBondContact O-N 3.11Å; I241-D243 PolarHBondContact O-N 2.83Å; I241-Q244 HydrophobicContact CB-CB 3.97Å; I241-Q244 HydrophobicContact CB-CG 4.48Å; I241-Q244 HydrophobicContact CD1-CB 3.93Å; I241-Q244 HydrophobicContact CG1-CB 4.13Å; I241-Q244 WeakPolarHBondContact O-CB 3.19Å; I241-Q244 PolarHBondContact O-N 3.34Å; I241-Q244 PolarHBondContact O-OE1 2.87Å; I241-L245 HydrophobicContact CD1-CB 4.36Å; I241-L245 HydrophobicContact CG1-CB 4.46Å
242	G	94.8	Very high	94.6	Very high	20 Å²	20	20.8 Å²	20.8	21%	0.206	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	51.4	-124.9	175.1	0	0	0	0	0	113.1	Q238 Q244 L245	Q238-G242 VanDerWaalsContact O-CA 3.29Å; Q238-G242 WeakPolarHBondContact O-CA 3.42Å; Q238-G242 PolarHBondContact O-N 3.14Å; G242-Q244 PolarHBondContact O-N 3.47Å; G242-L245 WeakPolarHBondContact O-CB 3.47Å; G242-L245 PolarHBondContact O-N 3.42Å
243	D	92.7	Very high	94.6	Very high	149 Å²	149	21 Å²	21	80%	0.797	11%	0.11	S	C	*	.	G	3₁₀ helix	trans	-63.4	-5.8	-175.1	-58.3	-22.9	0	0	0	114.9	I241 L245	I241-D243 PolarHBondContact O-N 2.83Å; D243-L245 PolarHBondContact O-N 3.01Å
244	Q	95.1	Very high	94.7	Very high	52 Å²	52	21 Å²	21	24%	0.243	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-73.7	-15	170.8	-64.4	172.7	-105	0	0	112.6	G216 K218 K219 V220 I241 G242	G216-Q244 PolarHBondContact O-NE2 3.29Å; K218-Q244 PolarHBondContact O-NE2 3.42Å; K219-Q244 WeakPolarHBondContact CA-O 3.47Å; V220-Q244 PolarHBondContact N-O 2.54Å; I241-Q244 HydrophobicContact CB-CB 3.97Å; I241-Q244 HydrophobicContact CB-CG 4.48Å; I241-Q244 HydrophobicContact CD1-CB 3.93Å; I241-Q244 HydrophobicContact CG1-CB 4.13Å; I241-Q244 WeakPolarHBondContact O-CB 3.19Å; I241-Q244 PolarHBondContact O-N 3.34Å; I241-Q244 PolarHBondContact O-OE1 2.87Å; G242-Q244 PolarHBondContact O-N 3.47Å
245	L	95.4	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.3	177.2	175.9	65.2	0	0	0	111	V220 L222 G234 L237 Q238 I241 G242 D243 L273	V220-L245 HydrophobicContact CG1-CD1 4.5Å; L222-L245 HydrophobicContact CB-CD1 3.92Å; G234-L245 WeakPolarHBondContact O-CD2 3.4Å; L237-L245 HydrophobicContact CB-CD1 4.23Å; L237-L245 HydrophobicContact CB-CD2 3.87Å; L237-L245 HydrophobicContact CD1-CD1 4Å; Q238-L245 HydrophobicContact CB-CD2 4.26Å; I241-L245 HydrophobicContact CD1-CB 4.36Å; I241-L245 HydrophobicContact CG1-CB 4.46Å; G242-L245 WeakPolarHBondContact O-CB 3.47Å; G242-L245 PolarHBondContact O-N 3.42Å; D243-L245 PolarHBondContact O-N 3.01Å; L245-L273 HydrophobicContact CD2-CD2 4.45Å; L245-L273 HydrophobicContact CD2-CG 4.3Å
246	T	93.9	Very high	94.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132	162.8	-64	0	0	0	0	108.4	V220 L221 L222 N274 I276 L316	V220-T246 PolarHBondContact O-N 3.06Å; L221-T246 CarbonylContact C-O 3.5Å; L221-T246 VanDerWaalsContact CA-O 3.29Å; L221-T246 WeakPolarHBondContact CA-O 3.43Å; L221-T246 HydrophobicContact CD1-CG2 4.29Å; L222-T246 PolarHBondContact N-O 2.98Å; T246-N274 PolarHBondContact OG1-ND2 3.33Å; T246-I276 HydrophobicContact CG2-CD1 3.65Å; T246-I276 HydrophobicContact CG2-CG1 4.33Å; T246-L316 HydrophobicContact CG2-CD1 4.15Å
247	S	93.6	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.6	178.5	-57.1	0	0	0	0	110.9	L222 L224 N274 I275 I276	L222-S247 CarbonylContact O-C 3.54Å; L222-S247 VanDerWaalsContact O-CA 3.27Å; L222-S247 WeakPolarHBondContact O-CA 3.4Å; L224-S247 VanDerWaalsContact CD1-CB 3.44Å; S247-N274 PolarHBondContact N-O 3.31Å; S247-I275 CarbonylContact O-C 3.58Å; S247-I275 WeakPolarHBondContact O-CA 3.49Å; S247-I276 PolarHBondContact O-N 2.87Å
248	I	92.1	Very high	94.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.6	171.5	-61.8	165.9	0	0	0	108	L221 L222 L224 V250 I276 V278 F309 E312 L316	L221-I248 HydrophobicContact CD1-CD1 3.79Å; L221-I248 HydrophobicContact CD1-CG1 3.93Å; L221-I248 HydrophobicContact CD2-CD1 4.07Å; L221-I248 HydrophobicContact CG-CD1 4.31Å; L222-I248 PolarHBondContact O-N 2.64Å; L224-I248 PolarHBondContact N-O 2.76Å; I248-V250 HydrophobicContact CG2-CG2 4.06Å; I248-I276 WeakPolarHBondContact CA-O 3.31Å; I248-V278 HydrophobicContact CG2-CG2 3.9Å; I248-F309 HydrophobicContact CB-CD2 4.38Å; I248-F309 HydrophobicContact CB-CE2 4.03Å; I248-F309 HydrophobicContact CD1-CD2 4.25Å; I248-F309 HydrophobicContact CD1-CE2 3.92Å; I248-F309 HydrophobicContact CD1-CZ 4.45Å; I248-F309 HydrophobicContact CG2-CD2 4.39Å; I248-E312 HydrophobicContact CD1-CB 3.86Å; I248-L316 HydrophobicContact CD1-CD1 3.88Å; I248-L316 HydrophobicContact CG1-CD1 3.94Å
249	F	92.6	Very high	94.1	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.4	169.3	176.7	-101.5	0	0	0	109.4	L224 D251 L255 V263 I275 I276 K277 V278	L224-F249 HydrophobicContact CB-CB 4.3Å; L224-F249 HydrophobicContact CB-CD2 4.31Å; L224-F249 VanDerWaalsContact O-CD2 3.3Å; L224-F249 WeakPolarHBondContact O-CD2 3.49Å; F249-D251 HydrophobicContact CE1-CB 4.19Å; F249-L255 HydrophobicContact CE1-CD1 4.15Å; F249-L255 HydrophobicContact CE2-CD1 4.47Å; F249-L255 HydrophobicContact CZ-CD1 3.54Å; F249-V263 HydrophobicContact CD2-CG1 3.98Å; F249-V263 HydrophobicContact CE2-CB 4.33Å; F249-V263 HydrophobicContact CE2-CG1 4.02Å; F249-V263 HydrophobicContact CE2-CG2 4.29Å; F249-V263 HydrophobicContact CG-CG1 4.47Å; F249-V263 HydrophobicContact CZ-CB 4.44Å; F249-V263 HydrophobicContact CZ-CG2 4.49Å; F249-I275 HydrophobicContact CB-CG2 3.73Å; F249-I276 PolarHBondContact N-O 3.36Å; F249-K277 HydrophobicContact CD1-CG 4.21Å; F249-K277 WeakPolarHBondContact O-CA 3.26Å; F249-V278 PolarHBondContact O-N 2.71Å
250	V	92.2	Very high	93.8	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.024	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.5	178.7	173	0	0	0	0	109.6	I248 H252 V278 A280 F284 F305 L308	I248-V250 HydrophobicContact CG2-CG2 4.06Å; V250-H252 HydrophobicContact CG1-CB 4.31Å; V250-H252 PolarHBondContact O-N 3.38Å; V250-V278 HydrophobicContact CG2-CB 4.49Å; V250-A280 HydrophobicContact CG1-CB 4.27Å; V250-F284 HydrophobicContact CG1-CE2 4.24Å; V250-F305 HydrophobicContact CB-CD2 4.23Å; V250-F305 HydrophobicContact CB-CE2 3.75Å; V250-F305 HydrophobicContact CG1-CD2 4.13Å; V250-F305 HydrophobicContact CG1-CE2 4.15Å; V250-F305 HydrophobicContact CG2-CE2 4.16Å; V250-L308 HydrophobicContact CB-CD2 4.36Å; V250-L308 HydrophobicContact CG1-CD2 3.46Å; V250-L308 VanDerWaalsContact CG1-CD2 3.46Å; V250-L308 HydrophobicContact CG2-CD2 3.95Å; V250-L308 HydrophobicContact CG2-CG 4.47Å
251	D	93.5	Very high	93.5	Very high	24 Å²	24	27.2 Å²	27.2	13%	0.128	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	91.3	169	-164.8	-19.2	0	0	0	109	F249 G253 K277 V278 A280 K281	F249-D251 HydrophobicContact CE1-CB 4.19Å; D251-G253 PolarHBondContact O-N 2.88Å; D251-G253 PolarHBondContact OD1-N 3.23Å; D251-K277 VanDerWaalsContact OD2-CE 3.23Å; D251-K277 WeakPolarHBondContact OD2-CE 3.17Å; D251-K277 IonicContact OD2-NZ 2.67Å; D251-K277 PolarHBondContact OD2-NZ 3.29Å; D251-V278 PolarHBondContact N-O 3.27Å; D251-A280 CarbonylContact O-C 3.57Å; D251-A280 PolarHBondContact O-N 2.98Å; D251-K281 PolarHBondContact O-N 2.92Å
252	H	94	Very high	93.1	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.056	16%	0.158	C	C	.	.			trans	-80.3	10.1	179.7	57.5	75.4	0	0	0	112.9	V250 L254 L255 F284	V250-H252 HydrophobicContact CG1-CB 4.31Å; V250-H252 PolarHBondContact O-N 3.38Å; H252-L254 VanDerWaalsContact ND1-CB 3.31Å; H252-L254 WeakPolarHBondContact ND1-CB 3.43Å; H252-L254 PolarHBondContact ND1-N 3.38Å; H252-L254 PolarHBondContact O-N 3.13Å; H252-L254 VanDerWaalsContact O-N 3.13Å; H252-L255 WeakPolarHBondContact NE2-CD2 3.29Å; H252-F284 HydrophobicContact CB-CB 4.39Å; H252-F284 HydrophobicContact CB-CD1 3.78Å; H252-F284 HydrophobicContact CB-CD2 3.6Å; H252-F284 HydrophobicContact CB-CE1 3.81Å; H252-F284 HydrophobicContact CB-CE2 3.64Å; H252-F284 HydrophobicContact CB-CG 3.66Å; H252-F284 HydrophobicContact CB-CZ 3.73Å
253	G	94.8	Very high	92.7	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	15%	0.151	C	C	.	.	S	Bend	trans	72.2	1.4	177.9	0	0	0	0	0	115.6	D251 R415	D251-G253 PolarHBondContact O-N 2.88Å; D251-G253 PolarHBondContact OD1-N 3.23Å; G253-R415 PolarHBondContact O-NH2 2.91Å
254	L	96.6	Very high	92.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.			trans	-109.1	23.3	178.3	-42.4	165.2	0	0	0	111.9	H252 L285 L288 I301 G397 L398 I406 L411	H252-L254 VanDerWaalsContact ND1-CB 3.31Å; H252-L254 WeakPolarHBondContact ND1-CB 3.43Å; H252-L254 PolarHBondContact ND1-N 3.38Å; H252-L254 PolarHBondContact O-N 3.13Å; H252-L254 VanDerWaalsContact O-N 3.13Å; L254-L285 HydrophobicContact CD2-CD2 4.1Å; L254-L288 HydrophobicContact CD1-CD1 3.87Å; L254-L288 HydrophobicContact CD2-CD1 4.39Å; L254-I301 HydrophobicContact CD1-CD1 3.55Å; L254-I301 HydrophobicContact CD1-CG1 3.97Å; L254-G397 CarbonylContact O-C 3.52Å; L254-G397 WeakPolarHBondContact O-CA 3.5Å; L254-L398 HydrophobicContact CB-CB 4.43Å; L254-L398 WeakPolarHBondContact O-CG 3.26Å; L254-L398 PolarHBondContact O-N 3.44Å; L254-I406 HydrophobicContact CD2-CG2 4.14Å; L254-L411 HydrophobicContact CD2-CD1 3.85Å; L254-L411 HydrophobicContact CD2-CD2 3.83Å; L254-L411 HydrophobicContact CD2-CG 4.5Å
255	L	94.9	Very high	92.3	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.058	15%	0.147	C	C	.	.	S	Bend	trans	-85.8	167	176.8	-57.8	179	0	0	0	111.5	F249 H252 E259 F393 L398	F249-L255 HydrophobicContact CE1-CD1 4.15Å; F249-L255 HydrophobicContact CE2-CD1 4.47Å; F249-L255 HydrophobicContact CZ-CD1 3.54Å; H252-L255 WeakPolarHBondContact NE2-CD2 3.29Å; L255-E259 HydrophobicContact CB-CB 4.02Å; L255-E259 HydrophobicContact CB-CG 4.17Å; L255-E259 HydrophobicContact CD1-CG 4.37Å; L255-F393 HydrophobicContact CD2-CE1 4.01Å; L255-L398 VanDerWaalsContact O-CD1 3.32Å; L255-L398 WeakPolarHBondContact O-CD1 3.48Å
256	R	95.1	Very high	91.8	Very high	13 Å²	13	31.1 Å²	31.1	5%	0.049	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-65.9	163.4	172.2	-66.3	166.6	-78.7	-161	-10.2	110.8	N258 E259 R390 F393	R256-N258 PolarHBondContact O-N 3.35Å; R256-E259 HydrophobicContact CB-CB 4.13Å; R256-E259 VanDerWaalsContact CB-OE2 3.25Å; R256-E259 WeakPolarHBondContact CB-OE2 3.41Å; R256-E259 WeakPolarHBondContact CG-OE2 3.49Å; R256-E259 IonicContact CZ-OE1 2.71Å; R256-E259 IonicContact CZ-OE2 3.27Å; R256-E259 PolarHBondContact N-OE2 3.37Å; R256-E259 IonicContact NE-OE1 2.61Å; R256-E259 PolarHBondContact NE-OE1 3.48Å; R256-E259 IonicContact NE-OE2 2.73Å; R256-E259 PolarHBondContact NE-OE2 3.03Å; R256-E259 IonicContact NH2-OE1 3.42Å; R256-E259 PolarHBondContact NH2-OE1 2.8Å; R256-E259 IonicContact NH2-OE2 2.78Å; R256-E259 VanDerWaalsContact O-CB 3.25Å; R256-E259 WeakPolarHBondContact O-CB 3.45Å; R256-E259 PolarHBondContact O-N 3.41Å; R256-E259 VanDerWaalsContact O-N 3.09Å; R256-R390 VanDerWaalsContact NH2-NE 3.19Å; R256-F393 HydrophobicContact CG-CD2 4.2Å; R256-F393 HydrophobicContact CG-CE2 3.67Å; R256-F393 HydrophobicContact CG-CZ 4.04Å; R256-F393 VanDerWaalsContact NH2-CB 3.33Å
257	K	95.4	Very high	91.4	Very high	67 Å²	67	31.1 Å²	31.1	29%	0.291	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	125.8	173.5	-171.4	175.3	-174	168.3	0	111	E259 R415 E416 A419	K257-E259 PolarHBondContact O-N 3.03Å; K257-E259 VanDerWaalsContact O-N 3.17Å; K257-R415 HydrophobicContact CB-CB 4.24Å; K257-E416 VanDerWaalsContact CD-OE1 3.23Å; K257-E416 WeakPolarHBondContact CD-OE1 3.31Å; K257-E416 WeakPolarHBondContact CE-OE1 3.31Å; K257-E416 IonicContact NZ-OE1 2.92Å; K257-E416 PolarHBondContact NZ-OE1 2.98Å; K257-E416 IonicContact NZ-OE2 3.33Å; K257-E416 PolarHBondContact NZ-OE2 3.01Å; K257-A419 HydrophobicContact CB-CB 4.28Å; K257-A419 HydrophobicContact CD-CB 3.97Å
258	N	92.3	Very high	91.1	Very high	87 Å²	87	32.2 Å²	32.2	47%	0.465	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	17.4	178.4	-53.2	-18.1	0	0	0	115.6	R256 E261 Q262	R256-N258 PolarHBondContact O-N 3.35Å; N258-E261 VanDerWaalsContact C-OE2 3.28Å; N258-E261 WeakPolarHBondContact CA-OE2 3.37Å; N258-E261 PolarHBondContact O-N 3.22Å; N258-Q262 WeakPolarHBondContact O-CB 3.05Å; N258-Q262 WeakPolarHBondContact O-CG 3.06Å; N258-Q262 PolarHBondContact O-N 2.84Å
259	E	89.4	Confident	90.7	Very high	3 Å²	3	35 Å²	35	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-67.5	-40	-174.7	172.4	159.2	-151.1	0	0	112	L255 R256 K257 Q262 V263 R390	L255-E259 HydrophobicContact CB-CB 4.02Å; L255-E259 HydrophobicContact CB-CG 4.17Å; L255-E259 HydrophobicContact CD1-CG 4.37Å; R256-E259 HydrophobicContact CB-CB 4.13Å; R256-E259 VanDerWaalsContact CB-OE2 3.25Å; R256-E259 WeakPolarHBondContact CB-OE2 3.41Å; R256-E259 WeakPolarHBondContact CG-OE2 3.49Å; R256-E259 IonicContact CZ-OE1 2.71Å; R256-E259 IonicContact CZ-OE2 3.27Å; R256-E259 PolarHBondContact N-OE2 3.37Å; R256-E259 IonicContact NE-OE1 2.61Å; R256-E259 PolarHBondContact NE-OE1 3.48Å; R256-E259 IonicContact NE-OE2 2.73Å; R256-E259 PolarHBondContact NE-OE2 3.03Å; R256-E259 IonicContact NH2-OE1 3.42Å; R256-E259 PolarHBondContact NH2-OE1 2.8Å; R256-E259 IonicContact NH2-OE2 2.78Å; R256-E259 VanDerWaalsContact O-CB 3.25Å; R256-E259 WeakPolarHBondContact O-CB 3.45Å; R256-E259 PolarHBondContact O-N 3.41Å; R256-E259 VanDerWaalsContact O-N 3.09Å; K257-E259 PolarHBondContact O-N 3.03Å; K257-E259 VanDerWaalsContact O-N 3.17Å; E259-Q262 PolarHBondContact O-N 3.26Å; E259-V263 VanDerWaalsContact O-CG2 3.32Å; E259-V263 WeakPolarHBondContact O-CG2 3.48Å; E259-V263 PolarHBondContact O-N 2.87Å; E259-R390 VanDerWaalsContact CD-NH2 3.3Å; E259-R390 IonicContact OE1-CZ 3.67Å; E259-R390 IonicContact OE1-NH1 3.63Å; E259-R390 PolarHBondContact OE1-NH1 3.27Å; E259-R390 IonicContact OE1-NH2 3.71Å; E259-R390 PolarHBondContact OE1-NH2 2.98Å; E259-R390 VanDerWaalsContact OE1-NH2 3.08Å; E259-R390 IonicContact OE2-NH2 3.73Å
260	G	88.7	Confident	90.2	Very high	2 Å²	2	41.6 Å²	41.6	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-47.3	175.8	0	0	0	0	0	112	Q262 V263 M264	G260-Q262 PolarHBondContact O-N 2.78Å; G260-V263 PolarHBondContact O-N 3.03Å; G260-M264 VanDerWaalsContact O-CG 3.28Å; G260-M264 WeakPolarHBondContact O-CG 3.4Å; G260-M264 PolarHBondContact O-N 2.93Å; G260-M264 VanDerWaalsContact O-N 3.13Å
261	E	90.6	Very high	89.8	Confident	109 Å²	109	43.4 Å²	43.4	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-43.3	177.3	-64.6	83.9	-176.9	0	0	112	N258 V263 M264 E265	N258-E261 VanDerWaalsContact C-OE2 3.28Å; N258-E261 WeakPolarHBondContact CA-OE2 3.37Å; N258-E261 PolarHBondContact O-N 3.22Å; E261-V263 VanDerWaalsContact C-N 3.32Å; E261-V263 PolarHBondContact O-N 3.33Å; E261-M264 PolarHBondContact O-N 2.93Å; E261-E265 WeakPolarHBondContact O-CB 3.14Å; E261-E265 PolarHBondContact O-N 2.84Å
262	Q	87.6	Confident	89.5	Confident	86 Å²	86	44.2 Å²	44.2	40%	0.402	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-40.7	179.1	-74.9	170.5	1.8	0	0	112.4	N258 E259 G260 A266	N258-Q262 WeakPolarHBondContact O-CB 3.05Å; N258-Q262 WeakPolarHBondContact O-CG 3.06Å; N258-Q262 PolarHBondContact O-N 2.84Å; E259-Q262 PolarHBondContact O-N 3.26Å; G260-Q262 PolarHBondContact O-N 2.78Å; Q262-A266 VanDerWaalsContact O-CB 3.29Å; Q262-A266 WeakPolarHBondContact O-CB 3.26Å; Q262-A266 PolarHBondContact O-N 2.91Å
263	V	85.6	Confident	89.4	Confident	8 Å²	8	44 Å²	44	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-45.9	176.4	171	0	0	0	0	110.6	F249 E259 G260 E261 L267	F249-V263 HydrophobicContact CD2-CG1 3.98Å; F249-V263 HydrophobicContact CE2-CB 4.33Å; F249-V263 HydrophobicContact CE2-CG1 4.02Å; F249-V263 HydrophobicContact CE2-CG2 4.29Å; F249-V263 HydrophobicContact CG-CG1 4.47Å; F249-V263 HydrophobicContact CZ-CB 4.44Å; F249-V263 HydrophobicContact CZ-CG2 4.49Å; E259-V263 VanDerWaalsContact O-CG2 3.32Å; E259-V263 WeakPolarHBondContact O-CG2 3.48Å; E259-V263 PolarHBondContact O-N 2.87Å; G260-V263 PolarHBondContact O-N 3.03Å; E261-V263 VanDerWaalsContact C-N 3.32Å; E261-V263 PolarHBondContact O-N 3.33Å; V263-L267 HydrophobicContact CG1-CD1 4.04Å; V263-L267 WeakPolarHBondContact O-CB 3.28Å; V263-L267 PolarHBondContact O-N 2.93Å
264	M	90	Very high	89.3	Confident	53 Å²	53	47.4 Å²	47.4	26%	0.261	26%	0.261	S	S	.	.	I	π-helix	trans	-64.3	-43.7	179.8	-65.1	-59.4	-63.3	0	0	112.3	G260 E261 G268 G269 I275 K277	G260-M264 VanDerWaalsContact O-CG 3.28Å; G260-M264 WeakPolarHBondContact O-CG 3.4Å; G260-M264 PolarHBondContact O-N 2.93Å; G260-M264 VanDerWaalsContact O-N 3.13Å; E261-M264 PolarHBondContact O-N 2.93Å; M264-G268 VanDerWaalsContact O-CA 3.24Å; M264-G268 WeakPolarHBondContact O-CA 3.28Å; M264-G268 PolarHBondContact O-N 3.33Å; M264-G269 PolarHBondContact O-N 2.97Å; M264-G269 VanDerWaalsContact O-N 3.16Å; M264-I275 HydrophobicContact CE-CB 3.88Å; M264-I275 HydrophobicContact CE-CG2 3.98Å; M264-I275 HydrophobicContact SD-CB 4.03Å; M264-I275 HydrophobicContact SD-CD1 4.43Å; M264-I275 HydrophobicContact SD-CG2 3.54Å; M264-I275 VanDerWaalsContact SD-CG2 3.54Å; M264-K277 HydrophobicContact CE-CB 4.18Å; M264-K277 HydrophobicContact CG-CD 4.4Å; M264-K277 HydrophobicContact SD-CB 4.05Å
265	E	89.5	Confident	89.1	Confident	150 Å²	150	48.4 Å²	48.4	70%	0.701	27%	0.266	S	S	*	.	I	π-helix	trans	-63.1	-48.1	178.5	-177.7	179.9	-173.1	0	0	111.3	E261 G269 K270	E261-E265 WeakPolarHBondContact O-CB 3.14Å; E261-E265 PolarHBondContact O-N 2.84Å; E265-G269 VanDerWaalsContact O-CA 3.22Å; E265-G269 WeakPolarHBondContact O-CA 3.25Å; E265-G269 PolarHBondContact O-N 3Å; E265-G269 VanDerWaalsContact O-N 3.14Å; E265-K270 PolarHBondContact O-N 3.25Å
266	A	85.3	Confident	89	Confident	17 Å²	17	50.3 Å²	50.3	14%	0.14	28%	0.276	C	S	.	.	I	π-helix	trans	-75	-45.5	-174	0	0	0	0	0	113	Q262 K270 F271 I387	Q262-A266 VanDerWaalsContact O-CB 3.29Å; Q262-A266 WeakPolarHBondContact O-CB 3.26Å; Q262-A266 PolarHBondContact O-N 2.91Å; A266-K270 VanDerWaalsContact O-CB 3.28Å; A266-K270 WeakPolarHBondContact O-CB 3.45Å; A266-K270 PolarHBondContact O-N 2.93Å; A266-F271 VanDerWaalsContact O-CD2 3.29Å; A266-F271 WeakPolarHBondContact O-CD2 3.12Å; A266-I387 HydrophobicContact CB-CD1 3.2Å
267	L	86.5	Confident	88.9	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.29	C	S	.	.	I	π-helix	trans	-87.6	-46.1	-176	-61.7	-177.1	0	0	0	112	L224 V235 V263 F271 G272 L273 I275	L224-L267 HydrophobicContact CD1-CD1 4.19Å; L224-L267 HydrophobicContact CD2-CD1 3.99Å; V235-L267 HydrophobicContact CG2-CD2 3.96Å; V263-L267 HydrophobicContact CG1-CD1 4.04Å; V263-L267 WeakPolarHBondContact O-CB 3.28Å; V263-L267 PolarHBondContact O-N 2.93Å; L267-F271 HydrophobicContact CD2-CD2 4.24Å; L267-F271 WeakPolarHBondContact O-CB 3.42Å; L267-F271 PolarHBondContact O-N 3.38Å; L267-G272 PolarHBondContact O-N 3.45Å; L267-L273 HydrophobicContact CB-CD2 4.29Å; L267-L273 WeakPolarHBondContact O-CD1 3.42Å; L267-L273 PolarHBondContact O-N 2.93Å; L267-L273 VanDerWaalsContact O-N 3.13Å; L267-I275 HydrophobicContact CB-CD1 3.61Å
268	G	85.9	Confident	88.8	Confident	23 Å²	23	51 Å²	51	24%	0.237	28%	0.281	C	S	.	.	I	π-helix	trans	-73.3	-45	178.9	0	0	0	0	0	112.2	M264 G272 L273	M264-G268 VanDerWaalsContact O-CA 3.24Å; M264-G268 WeakPolarHBondContact O-CA 3.28Å; M264-G268 PolarHBondContact O-N 3.33Å; G268-G272 VanDerWaalsContact O-CA 3.27Å; G268-G272 WeakPolarHBondContact O-CA 3.34Å; G268-G272 PolarHBondContact O-N 3.09Å; G268-L273 WeakPolarHBondContact CA-O 3.47Å
269	G	84.2	Confident	88.9	Confident	59 Å²	59	52.5 Å²	52.5	61%	0.608	29%	0.288	S	S	*	.	I	π-helix	trans	-73.4	-65.2	-179.9	0	0	0	0	0	113.2	M264 E265	M264-G269 PolarHBondContact O-N 2.97Å; M264-G269 VanDerWaalsContact O-N 3.16Å; E265-G269 VanDerWaalsContact O-CA 3.22Å; E265-G269 WeakPolarHBondContact O-CA 3.25Å; E265-G269 PolarHBondContact O-N 3Å; E265-G269 VanDerWaalsContact O-N 3.14Å
270	K	81.4	Confident	89.1	Confident	140 Å²	140	52.7 Å²	52.7	61%	0.609	29%	0.29	S	S	*	.	I	π-helix	trans	-73.4	-36.9	-170.7	-166.8	-176.2	176.9	-170	0	113.6	E265 A266	E265-K270 PolarHBondContact O-N 3.25Å; A266-K270 VanDerWaalsContact O-CB 3.28Å; A266-K270 WeakPolarHBondContact O-CB 3.45Å; A266-K270 PolarHBondContact O-N 2.93Å
271	F	85.4	Confident	89.4	Confident	42 Å²	42	55.5 Å²	55.5	18%	0.184	30%	0.302	C	S	.	.	S	Bend	trans	-98.8	-8.4	-178.9	-70.8	-76	0	0	0	114.1	V235 Q238 A266 L267 L273 G382 M383	V235-F271 HydrophobicContact CG1-CD1 3.69Å; V235-F271 HydrophobicContact CG1-CE1 3.83Å; V235-F271 HydrophobicContact CG1-CG 4.31Å; V235-F271 HydrophobicContact CG2-CB 4.34Å; V235-F271 HydrophobicContact CG2-CD1 4.09Å; V235-F271 HydrophobicContact CG2-CD2 4Å; V235-F271 HydrophobicContact CG2-CE1 4.46Å; V235-F271 HydrophobicContact CG2-CE2 4.4Å; V235-F271 HydrophobicContact CG2-CG 3.87Å; Q238-F271 WeakPolarHBondContact CG-O 3.36Å; A266-F271 VanDerWaalsContact O-CD2 3.29Å; A266-F271 WeakPolarHBondContact O-CD2 3.12Å; L267-F271 HydrophobicContact CD2-CD2 4.24Å; L267-F271 WeakPolarHBondContact O-CB 3.42Å; L267-F271 PolarHBondContact O-N 3.38Å; F271-L273 VanDerWaalsContact C-N 3.29Å; F271-L273 HydrophobicContact CB-CD1 3.39Å; F271-L273 HydrophobicContact CG-CD1 4.49Å; F271-L273 PolarHBondContact O-N 3.46Å; F271-G382 WeakPolarHBondContact CZ-O 3.39Å; F271-M383 HydrophobicContact CE1-CG 4.47Å; F271-M383 HydrophobicContact CE2-CB 4.46Å; F271-M383 HydrophobicContact CE2-CG 4.03Å; F271-M383 HydrophobicContact CZ-CB 4.25Å; F271-M383 HydrophobicContact CZ-CG 3.81Å
272	G	86.6	Confident	89.7	Confident	42 Å²	42	55.7 Å²	55.7	43%	0.433	31%	0.307	S	S	.	.			trans	69.7	23.7	177.8	0	0	0	0	0	113.9	Q238 L267 G268 N274	Q238-G272 PolarHBondContact NE2-O 2.88Å; L267-G272 PolarHBondContact O-N 3.45Å; G268-G272 VanDerWaalsContact O-CA 3.27Å; G268-G272 WeakPolarHBondContact O-CA 3.34Å; G268-G272 PolarHBondContact O-N 3.09Å; G272-N274 PolarHBondContact O-N 3.14Å
273	L	91.9	Very high	90.1	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	30%	0.303	C	S	.	.			trans	-65.3	134.8	174.6	-83.5	72.4	0	0	0	109.6	L224 V235 Q238 L245 L267 G268 F271 I275	L224-L273 HydrophobicContact CD1-CD2 4.21Å; V235-L273 HydrophobicContact CG2-CD1 4.35Å; Q238-L273 HydrophobicContact CB-CD1 3.84Å; Q238-L273 HydrophobicContact CB-CG 4.17Å; Q238-L273 HydrophobicContact CG-CD1 3.96Å; Q238-L273 HydrophobicContact CG-CG 4.4Å; L245-L273 HydrophobicContact CD2-CD2 4.45Å; L245-L273 HydrophobicContact CD2-CG 4.3Å; L267-L273 HydrophobicContact CB-CD2 4.29Å; L267-L273 WeakPolarHBondContact O-CD1 3.42Å; L267-L273 PolarHBondContact O-N 2.93Å; L267-L273 VanDerWaalsContact O-N 3.13Å; G268-L273 WeakPolarHBondContact CA-O 3.47Å; F271-L273 VanDerWaalsContact C-N 3.29Å; F271-L273 HydrophobicContact CB-CD1 3.39Å; F271-L273 HydrophobicContact CG-CD1 4.49Å; F271-L273 PolarHBondContact O-N 3.46Å; L273-I275 HydrophobicContact CB-CD1 4.02Å; L273-I275 HydrophobicContact CB-CG1 3.74Å; L273-I275 PolarHBondContact O-N 2.9Å; L273-I275 VanDerWaalsContact O-N 3.16Å
274	N	92	Very high	90.6	Very high	76 Å²	76	55.5 Å²	55.5	41%	0.406	30%	0.301	S	S	.	.			trans	-74.2	101.9	166.9	179.4	25.4	0	0	0	109.3	T246 S247 G272	T246-N274 PolarHBondContact OG1-ND2 3.33Å; S247-N274 PolarHBondContact N-O 3.31Å; G272-N274 PolarHBondContact O-N 3.14Å
275	I	93.2	Very high	90.9	Very high	20 Å²	20	54.4 Å²	54.4	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.8	-177.3	-50.2	173.8	0	0	0	110.4	L224 S247 F249 M264 L267 L273	L224-I275 HydrophobicContact CD1-CD1 3.76Å; L224-I275 HydrophobicContact CD1-CG1 3.83Å; L224-I275 HydrophobicContact CD1-CG2 4.15Å; S247-I275 CarbonylContact O-C 3.58Å; S247-I275 WeakPolarHBondContact O-CA 3.49Å; F249-I275 HydrophobicContact CB-CG2 3.73Å; M264-I275 HydrophobicContact CE-CB 3.88Å; M264-I275 HydrophobicContact CE-CG2 3.98Å; M264-I275 HydrophobicContact SD-CB 4.03Å; M264-I275 HydrophobicContact SD-CD1 4.43Å; M264-I275 HydrophobicContact SD-CG2 3.54Å; M264-I275 VanDerWaalsContact SD-CG2 3.54Å; L267-I275 HydrophobicContact CB-CD1 3.61Å; L273-I275 HydrophobicContact CB-CD1 4.02Å; L273-I275 HydrophobicContact CB-CG1 3.74Å; L273-I275 PolarHBondContact O-N 2.9Å; L273-I275 VanDerWaalsContact O-N 3.16Å
276	I	92.4	Very high	91.3	Very high	51 Å²	51	53.3 Å²	53.3	26%	0.262	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.7	170	-60.3	171	0	0	0	107.4	T246 S247 I248 F249 V278 L316	T246-I276 HydrophobicContact CG2-CD1 3.65Å; T246-I276 HydrophobicContact CG2-CG1 4.33Å; S247-I276 PolarHBondContact O-N 2.87Å; I248-I276 WeakPolarHBondContact CA-O 3.31Å; F249-I276 PolarHBondContact N-O 3.36Å; I276-V278 HydrophobicContact CG2-CG2 4.34Å; I276-L316 HydrophobicContact CD1-CD1 3.6Å; I276-L316 HydrophobicContact CD1-CD2 3.63Å; I276-L316 HydrophobicContact CD1-CG 4.25Å
277	K	93.1	Very high	91.8	Very high	79 Å²	79	57.3 Å²	57.3	34%	0.343	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.4	172	-178.7	173.4	-176.1	-178.1	0	109.6	F249 D251 M264	F249-K277 HydrophobicContact CD1-CG 4.21Å; F249-K277 WeakPolarHBondContact O-CA 3.26Å; D251-K277 VanDerWaalsContact OD2-CE 3.23Å; D251-K277 WeakPolarHBondContact OD2-CE 3.17Å; D251-K277 IonicContact OD2-NZ 2.67Å; D251-K277 PolarHBondContact OD2-NZ 3.29Å; M264-K277 HydrophobicContact CE-CB 4.18Å; M264-K277 HydrophobicContact CG-CD 4.4Å; M264-K277 HydrophobicContact SD-CB 4.05Å
278	V	93.4	Very high	92.3	Very high	17 Å²	17	57.3 Å²	57.3	10%	0.103	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.2	174	-177.3	0	0	0	0	107.7	I248 F249 V250 D251 I276 A280 L308 E312	I248-V278 HydrophobicContact CG2-CG2 3.9Å; F249-V278 PolarHBondContact O-N 2.71Å; V250-V278 HydrophobicContact CG2-CB 4.49Å; D251-V278 PolarHBondContact N-O 3.27Å; I276-V278 HydrophobicContact CG2-CG2 4.34Å; V278-A280 PolarHBondContact O-N 2.61Å; V278-L308 HydrophobicContact CG1-CD1 4.08Å; V278-L308 HydrophobicContact CG1-CD2 4.06Å; V278-L308 HydrophobicContact CG1-CG 4.35Å; V278-E312 HydrophobicContact CG2-CG 4Å
279	D	93.7	Very high	92.8	Very high	118 Å²	118	59.2 Å²	59.2	63%	0.631	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.6	170.9	-171.2	-13.8	0	0	0	109	K281	D279-K281 WeakPolarHBondContact OD1-CB 3.49Å; D279-K281 PolarHBondContact OD1-N 2.66Å
280	A	94.9	Very high	93.4	Very high	6 Å²	6	59 Å²	59	5%	0.05	32%	0.32	C	S	.	.			trans	-122	16.3	-178	0	0	0	0	0	112.2	V250 D251 V278 D282 R283 F284 L308	V250-A280 HydrophobicContact CG1-CB 4.27Å; D251-A280 CarbonylContact O-C 3.57Å; D251-A280 PolarHBondContact O-N 2.98Å; V278-A280 PolarHBondContact O-N 2.61Å; A280-D282 PolarHBondContact O-N 3.46Å; A280-R283 WeakPolarHBondContact O-CB 3.1Å; A280-R283 PolarHBondContact O-N 3.21Å; A280-R283 VanDerWaalsContact O-N 3.16Å; A280-F284 HydrophobicContact CB-CD2 3.86Å; A280-F284 HydrophobicContact CB-CE2 3.86Å; A280-F284 WeakPolarHBondContact O-CD2 3.46Å; A280-F284 PolarHBondContact O-N 3.18Å; A280-F284 VanDerWaalsContact O-N 3.1Å; A280-L308 HydrophobicContact CB-CD2 3.37Å
281	K	95.2	Very high	94.1	Very high	61 Å²	61	53.4 Å²	53.4	27%	0.265	30%	0.298	S	S	.	.	H	α-helix	trans	-48.9	-56.1	-176.9	175.4	178.1	-179.8	177.1	0	112.2	D251 D279 R283 F284 L285 E408	D251-K281 PolarHBondContact O-N 2.92Å; D279-K281 WeakPolarHBondContact OD1-CB 3.49Å; D279-K281 PolarHBondContact OD1-N 2.66Å; K281-R283 VanDerWaalsContact C-N 3.33Å; K281-R283 PolarHBondContact O-N 3.42Å; K281-F284 PolarHBondContact O-N 3.47Å; K281-L285 HydrophobicContact CD-CD1 4.4Å; K281-L285 HydrophobicContact CG-CD1 3.71Å; K281-L285 HydrophobicContact CG-CG 4.29Å; K281-L285 WeakPolarHBondContact O-CB 3.37Å; K281-L285 VanDerWaalsContact O-CG 3.32Å; K281-L285 WeakPolarHBondContact O-CG 3.37Å; K281-L285 PolarHBondContact O-N 3.47Å; K281-E408 VanDerWaalsContact CE-CD 3.42Å; K281-E408 WeakPolarHBondContact CE-OE1 3.42Å; K281-E408 WeakPolarHBondContact CE-OE2 3.46Å; K281-E408 IonicContact NZ-OE1 2.88Å; K281-E408 PolarHBondContact NZ-OE1 2.99Å; K281-E408 IonicContact NZ-OE2 3.5Å; K281-E408 PolarHBondContact NZ-OE2 3.44Å
282	D	96.3	Very high	94.6	Very high	114 Å²	114	54.5 Å²	54.5	61%	0.61	31%	0.311	S	S	*	.	H	α-helix	trans	-63.3	-40.7	-176.1	-63.8	-22	0	0	0	111.6	A280 F284 L285 D286	A280-D282 PolarHBondContact O-N 3.46Å; D282-F284 VanDerWaalsContact C-N 3.3Å; D282-F284 PolarHBondContact O-N 2.95Å; D282-L285 PolarHBondContact O-N 2.61Å; D282-D286 VanDerWaalsContact O-CB 3.31Å; D282-D286 WeakPolarHBondContact O-CB 3.47Å; D282-D286 VanDerWaalsContact O-CG 3.24Å; D282-D286 PolarHBondContact O-N 3.3Å
283	R	95.5	Very high	95.1	Very high	88 Å²	88	56 Å²	56	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-58.1	-40.8	178.2	-177.1	172.4	177.2	168.7	-2.9	112.1	A280 K281 K287 E304 L308 D311	A280-R283 WeakPolarHBondContact O-CB 3.1Å; A280-R283 PolarHBondContact O-N 3.21Å; A280-R283 VanDerWaalsContact O-N 3.16Å; K281-R283 VanDerWaalsContact C-N 3.33Å; K281-R283 PolarHBondContact O-N 3.42Å; R283-K287 WeakPolarHBondContact O-CG 3.23Å; R283-E304 HydrophobicContact CG-CG 4.42Å; R283-E304 IonicContact CZ-OE1 3.72Å; R283-E304 IonicContact NE-OE1 3.63Å; R283-E304 PolarHBondContact NE-OE1 3.36Å; R283-E304 IonicContact NH2-OE1 3.9Å; R283-E304 PolarHBondContact NH2-OE1 2.92Å; R283-E304 VanDerWaalsContact NH2-OE1 3.16Å; R283-L308 VanDerWaalsContact NH1-CD1 3.3Å; R283-D311 IonicContact CZ-OD2 2.66Å; R283-D311 IonicContact NH1-OD2 3.52Å; R283-D311 PolarHBondContact NH1-OD2 3.35Å; R283-D311 IonicContact NH2-OD2 2.65Å; R283-D311 PolarHBondContact NH2-OD2 2.94Å; R283-D311 VanDerWaalsContact NH2-OD2 3.14Å
284	F	96.7	Very high	95.2	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-78	-44	177.8	-81.9	-102.2	0	0	0	112.2	V250 H252 A280 K281 D282 D286 K287 L288 I301 E304 F305 L308	V250-F284 HydrophobicContact CG1-CE2 4.24Å; H252-F284 HydrophobicContact CB-CB 4.39Å; H252-F284 HydrophobicContact CB-CD1 3.78Å; H252-F284 HydrophobicContact CB-CD2 3.6Å; H252-F284 HydrophobicContact CB-CE1 3.81Å; H252-F284 HydrophobicContact CB-CE2 3.64Å; H252-F284 HydrophobicContact CB-CG 3.66Å; H252-F284 HydrophobicContact CB-CZ 3.73Å; A280-F284 HydrophobicContact CB-CD2 3.86Å; A280-F284 HydrophobicContact CB-CE2 3.86Å; A280-F284 WeakPolarHBondContact O-CD2 3.46Å; A280-F284 PolarHBondContact O-N 3.18Å; A280-F284 VanDerWaalsContact O-N 3.1Å; K281-F284 PolarHBondContact O-N 3.47Å; D282-F284 VanDerWaalsContact C-N 3.3Å; D282-F284 PolarHBondContact O-N 2.95Å; F284-D286 PolarHBondContact O-N 2.89Å; F284-K287 PolarHBondContact O-N 2.65Å; F284-L288 WeakPolarHBondContact O-CD1 3.29Å; F284-L288 WeakPolarHBondContact O-CG 3.16Å; F284-L288 PolarHBondContact O-N 2.85Å; F284-L288 VanDerWaalsContact O-N 3.1Å; F284-I301 HydrophobicContact CD1-CG2 4.29Å; F284-I301 HydrophobicContact CE1-CG2 4.01Å; F284-E304 HydrophobicContact CD1-CB 4.26Å; F284-E304 HydrophobicContact CD1-CG 4.42Å; F284-E304 HydrophobicContact CD2-CG 4.37Å; F284-E304 HydrophobicContact CE1-CB 3.8Å; F284-E304 HydrophobicContact CE1-CG 4.18Å; F284-E304 HydrophobicContact CE2-CG 4.13Å; F284-E304 HydrophobicContact CZ-CB 3.99Å; F284-E304 HydrophobicContact CZ-CG 4.04Å; F284-F305 HydrophobicContact CE1-CB 4.41Å; F284-F305 HydrophobicContact CZ-CB 4.09Å; F284-L308 HydrophobicContact CE2-CD2 3.99Å
285	L	96.5	Very high	95.2	Very high	30 Å²	30	58.8 Å²	58.8	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-40.1	-178.8	-67.9	-177.8	0	0	0	112.1	L254 K281 D282 K287 L288 A289 I406 E408 L411	L254-L285 HydrophobicContact CD2-CD2 4.1Å; K281-L285 HydrophobicContact CD-CD1 4.4Å; K281-L285 HydrophobicContact CG-CD1 3.71Å; K281-L285 HydrophobicContact CG-CG 4.29Å; K281-L285 WeakPolarHBondContact O-CB 3.37Å; K281-L285 VanDerWaalsContact O-CG 3.32Å; K281-L285 WeakPolarHBondContact O-CG 3.37Å; K281-L285 PolarHBondContact O-N 3.47Å; D282-L285 PolarHBondContact O-N 2.61Å; L285-K287 VanDerWaalsContact C-N 3.28Å; L285-K287 PolarHBondContact O-N 3.43Å; L285-L288 PolarHBondContact O-N 3.49Å; L285-L288 VanDerWaalsContact O-N 3.13Å; L285-A289 PolarHBondContact O-N 2.95Å; L285-I406 HydrophobicContact CD2-CG2 4.25Å; L285-E408 WeakPolarHBondContact CD1-OE2 3.36Å; L285-L411 HydrophobicContact CD2-CD1 3.64Å
286	D	96.8	Very high	95.3	Very high	128 Å²	128	64.1 Å²	64.1	68%	0.684	35%	0.345	S	S	*	.	H	α-helix	trans	-60.6	-37.6	176.9	-75.8	-13.7	0	0	0	112.1	D282 F284 A289	D282-D286 VanDerWaalsContact O-CB 3.31Å; D282-D286 WeakPolarHBondContact O-CB 3.47Å; D282-D286 VanDerWaalsContact O-CG 3.24Å; D282-D286 PolarHBondContact O-N 3.3Å; F284-D286 PolarHBondContact O-N 2.89Å; D286-A289 WeakPolarHBondContact O-CB 3.36Å
287	K	96.4	Very high	95.5	Very high	101 Å²	101	61.7 Å²	61.7	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-76.8	-23	177.8	-70.2	-169.6	-179.8	-145.8	0	113.7	R283 F284 L285 I300 E304	R283-K287 WeakPolarHBondContact O-CG 3.23Å; F284-K287 PolarHBondContact O-N 2.65Å; L285-K287 VanDerWaalsContact C-N 3.28Å; L285-K287 PolarHBondContact O-N 3.43Å; K287-I300 HydrophobicContact CB-CG2 3.83Å; K287-E304 VanDerWaalsContact CD-CD 3.45Å; K287-E304 HydrophobicContact CD-CG 3.96Å; K287-E304 VanDerWaalsContact CD-OE2 3.28Å; K287-E304 WeakPolarHBondContact CD-OE2 3.48Å; K287-E304 WeakPolarHBondContact CE-OE1 3.43Å; K287-E304 WeakPolarHBondContact CE-OE2 3.36Å; K287-E304 IonicContact NZ-OE1 3.54Å; K287-E304 PolarHBondContact NZ-OE1 3.46Å; K287-E304 IonicContact NZ-OE2 2.76Å; K287-E304 PolarHBondContact NZ-OE2 3.43Å
288	L	96.9	Very high	95.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-90	-11	178.6	-71.6	166.4	0	0	0	112.9	L254 F284 L285 G290 V291 K297 I300 I301 I406	L254-L288 HydrophobicContact CD1-CD1 3.87Å; L254-L288 HydrophobicContact CD2-CD1 4.39Å; F284-L288 WeakPolarHBondContact O-CD1 3.29Å; F284-L288 WeakPolarHBondContact O-CG 3.16Å; F284-L288 PolarHBondContact O-N 2.85Å; F284-L288 VanDerWaalsContact O-N 3.1Å; L285-L288 PolarHBondContact O-N 3.49Å; L285-L288 VanDerWaalsContact O-N 3.13Å; L288-G290 PolarHBondContact O-N 3.1Å; L288-V291 WeakPolarHBondContact O-CB 3.22Å; L288-V291 PolarHBondContact O-N 2.93Å; L288-K297 HydrophobicContact CD2-CB 4.24Å; L288-K297 HydrophobicContact CD2-CG 4.12Å; L288-I300 HydrophobicContact CD2-CB 4.32Å; L288-I300 HydrophobicContact CD2-CG2 4.02Å; L288-I300 HydrophobicContact CG-CG2 4.32Å; L288-I301 HydrophobicContact CD1-CD1 4.15Å; L288-I301 HydrophobicContact CD1-CG1 3.94Å; L288-I301 HydrophobicContact CD2-CD1 4.25Å; L288-I301 HydrophobicContact CD2-CG1 4.05Å; L288-I301 HydrophobicContact CG-CG1 4.46Å; L288-I406 HydrophobicContact CB-CD1 4.43Å; L288-I406 HydrophobicContact CD1-CD1 3.87Å; L288-I406 HydrophobicContact CD2-CD1 4.22Å; L288-I406 HydrophobicContact CG-CD1 4.41Å
289	A	96.7	Very high	95.5	Very high	62 Å²	62	66.8 Å²	66.8	51%	0.512	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	128.4	177.5	0	0	0	0	0	111.6	L285 D286 V291	L285-A289 PolarHBondContact O-N 2.95Å; D286-A289 WeakPolarHBondContact O-CB 3.36Å; A289-V291 PolarHBondContact O-N 3.06Å
290	G	96.3	Very high	95.5	Very high	54 Å²	54	63.3 Å²	63.3	56%	0.557	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	0.2	-177.6	0	0	0	0	0	116	L288 E405	L288-G290 PolarHBondContact O-N 3.1Å; G290-E405 WeakPolarHBondContact CA-OE1 3.21Å; G290-E405 PolarHBondContact N-OE1 2.66Å
291	V	96.9	Very high	95.5	Very high	24 Å²	24	63.3 Å²	63.3	15%	0.145	33%	0.331	C	S	.	.			trans	-91.4	114.8	-178.6	-173.1	0	0	0	0	110.3	L288 A289 K296 K297 I300 E405	L288-V291 WeakPolarHBondContact O-CB 3.22Å; L288-V291 PolarHBondContact O-N 2.93Å; A289-V291 PolarHBondContact O-N 3.06Å; V291-K296 HydrophobicContact CG1-CB 3.84Å; V291-K297 HydrophobicContact CB-CG 4.39Å; V291-K297 HydrophobicContact CG1-CG 3.78Å; V291-I300 HydrophobicContact CB-CD1 4.44Å; V291-I300 HydrophobicContact CG1-CD1 4.07Å; V291-I300 HydrophobicContact CG2-CD1 3.77Å; V291-E405 WeakPolarHBondContact O-CA 3.48Å
292	S	95.7	Very high	95.2	Very high	65 Å²	65	62.1 Å²	62.1	46%	0.455	34%	0.337	S	S	.	.			trans	-108.2	-21.3	178.4	-63.6	0	0	0	0	114.6	E405	S292-E405 PolarHBondContact OG-N 2.78Å
293	D	96.2	Very high	94.9	Very high	72 Å²	72	60.9 Å²	60.9	39%	0.385	33%	0.33	S	S	.	.			trans	-74.8	125.4	-178.2	175.4	-97.1	0	0	0	110.8	E295 K296 K297	D293-E295 PolarHBondContact O-N 3.44Å; D293-E295 PolarHBondContact OD1-N 3.48Å; D293-K296 HydrophobicContact CB-CB 4.12Å; D293-K296 HydrophobicContact CB-CD 4.04Å; D293-K296 HydrophobicContact CB-CG 4.19Å; D293-K296 PolarHBondContact O-N 3.49Å; D293-K296 WeakPolarHBondContact OD1-CG 3.31Å; D293-K296 PolarHBondContact OD1-N 3.21Å; D293-K297 WeakPolarHBondContact O-CG 3.19Å; D293-K297 PolarHBondContact O-N 2.97Å
294	P	94.5	Very high	94.8	Very high	36 Å²	36	57 Å²	57	23%	0.234	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-38.2	-171.9	25.3	-34.5	0	0	0	113.1	K296 K297 R298 E515	P294-K296 PolarHBondContact O-N 2.65Å; P294-K297 WeakPolarHBondContact O-CB 3.18Å; P294-K297 PolarHBondContact O-N 2.92Å; P294-R298 WeakPolarHBondContact O-CG 3.23Å; P294-R298 PolarHBondContact O-N 2.74Å; P294-E515 HydrophobicContact CB-CB 3.71Å; P294-E515 HydrophobicContact CB-CG 3.84Å; P294-E515 HydrophobicContact CG-CG 4.3Å
295	E	92.8	Very high	94.5	Very high	107 Å²	107	59.5 Å²	59.5	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-41.2	176.9	-73.7	-60.8	133.3	0	0	111.6	D293 R298 K299	D293-E295 PolarHBondContact O-N 3.44Å; D293-E295 PolarHBondContact OD1-N 3.48Å; E295-R298 PolarHBondContact O-N 3.35Å; E295-K299 WeakPolarHBondContact O-CG 3.41Å; E295-K299 PolarHBondContact O-N 2.82Å
296	K	95.2	Very high	93.9	Very high	132 Å²	132	59 Å²	59	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-63.3	-42.9	172.1	-73.6	179.6	-171.3	175.3	0	111.8	V291 D293 P294 R298 K299 I300	V291-K296 HydrophobicContact CG1-CB 3.84Å; D293-K296 HydrophobicContact CB-CB 4.12Å; D293-K296 HydrophobicContact CB-CD 4.04Å; D293-K296 HydrophobicContact CB-CG 4.19Å; D293-K296 PolarHBondContact O-N 3.49Å; D293-K296 WeakPolarHBondContact OD1-CG 3.31Å; D293-K296 PolarHBondContact OD1-N 3.21Å; P294-K296 PolarHBondContact O-N 2.65Å; K296-R298 PolarHBondContact O-N 3.22Å; K296-K299 PolarHBondContact O-N 2.72Å; K296-I300 WeakPolarHBondContact O-CB 3.46Å; K296-I300 VanDerWaalsContact O-CG1 3.25Å; K296-I300 WeakPolarHBondContact O-CG1 3.48Å; K296-I300 PolarHBondContact O-N 3.31Å
297	K	95.9	Very high	93.4	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-57.7	-49	176	-70.2	-170.6	-67.5	176.5	0	111	L288 V291 D293 P294 K299 I300 I301 G399 V402 G404 I406 E515	L288-K297 HydrophobicContact CD2-CB 4.24Å; L288-K297 HydrophobicContact CD2-CG 4.12Å; V291-K297 HydrophobicContact CB-CG 4.39Å; V291-K297 HydrophobicContact CG1-CG 3.78Å; D293-K297 WeakPolarHBondContact O-CG 3.19Å; D293-K297 PolarHBondContact O-N 2.97Å; P294-K297 WeakPolarHBondContact O-CB 3.18Å; P294-K297 PolarHBondContact O-N 2.92Å; K297-K299 PolarHBondContact O-N 2.65Å; K297-I300 PolarHBondContact O-N 2.89Å; K297-I301 WeakPolarHBondContact O-CD1 3.47Å; K297-I301 VanDerWaalsContact O-CG1 3.28Å; K297-I301 WeakPolarHBondContact O-CG1 3.28Å; K297-I301 PolarHBondContact O-N 2.76Å; K297-G399 WeakPolarHBondContact CE-O 3.35Å; K297-G399 PolarHBondContact NZ-O 3.45Å; K297-V402 PolarHBondContact NZ-O 2.92Å; K297-G404 PolarHBondContact NZ-O 3.18Å; K297-I406 HydrophobicContact CD-CD1 3.74Å; K297-I406 HydrophobicContact CD-CG1 4.1Å; K297-E515 VanDerWaalsContact CE-OE2 3.31Å; K297-E515 WeakPolarHBondContact CE-OE2 3.13Å; K297-E515 IonicContact NZ-OE1 2.87Å; K297-E515 IonicContact NZ-OE2 3.61Å; K297-E515 PolarHBondContact NZ-OE2 2.79Å
298	R	94	Very high	93	Very high	76 Å²	76	54.6 Å²	54.6	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-56	-48.8	177.2	-72.2	174.2	176.6	-77.6	2.2	111.8	P294 E295 K296 I301 G302 P396 I400 E515	P294-R298 WeakPolarHBondContact O-CG 3.23Å; P294-R298 PolarHBondContact O-N 2.74Å; E295-R298 PolarHBondContact O-N 3.35Å; K296-R298 PolarHBondContact O-N 3.22Å; R298-I301 PolarHBondContact O-N 3.08Å; R298-G302 PolarHBondContact O-N 3.31Å; R298-P396 HydrophobicContact CG-CG 4.14Å; R298-I400 HydrophobicContact CG-CG2 4.1Å; R298-I400 VanDerWaalsContact NH2-CD1 3.29Å; R298-E515 PolarHBondContact NE-OXT 3.16Å; R298-E515 PolarHBondContact NH2-O 2.52Å; R298-E515 PolarHBondContact NH2-OXT 2.66Å
299	K	92	Very high	92.5	Very high	127 Å²	127	54.7 Å²	54.7	55%	0.552	30%	0.298	S	S	*	.	H	α-helix	trans	-63.8	-43.2	178.8	-73.7	176.9	-177.7	177.2	0	112.8	E295 K296 K297 N303	E295-K299 WeakPolarHBondContact O-CG 3.41Å; E295-K299 PolarHBondContact O-N 2.82Å; K296-K299 PolarHBondContact O-N 2.72Å; K297-K299 PolarHBondContact O-N 2.65Å; K299-N303 VanDerWaalsContact O-CB 3.25Å; K299-N303 WeakPolarHBondContact O-CB 3.28Å; K299-N303 PolarHBondContact O-N 3.42Å; K299-N303 PolarHBondContact O-ND2 2.8Å
300	I	94.9	Very high	91.9	Very high	44 Å²	44	53.2 Å²	53.2	23%	0.226	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-49.4	178.6	-71.1	166.5	0	0	0	110.2	K287 L288 V291 K296 K297 E304	K287-I300 HydrophobicContact CB-CG2 3.83Å; L288-I300 HydrophobicContact CD2-CB 4.32Å; L288-I300 HydrophobicContact CD2-CG2 4.02Å; L288-I300 HydrophobicContact CG-CG2 4.32Å; V291-I300 HydrophobicContact CB-CD1 4.44Å; V291-I300 HydrophobicContact CG1-CD1 4.07Å; V291-I300 HydrophobicContact CG2-CD1 3.77Å; K296-I300 WeakPolarHBondContact O-CB 3.46Å; K296-I300 VanDerWaalsContact O-CG1 3.25Å; K296-I300 WeakPolarHBondContact O-CG1 3.48Å; K296-I300 PolarHBondContact O-N 3.31Å; K297-I300 PolarHBondContact O-N 2.89Å; I300-E304 VanDerWaalsContact O-CB 3.26Å; I300-E304 WeakPolarHBondContact O-CB 3.28Å; I300-E304 PolarHBondContact O-N 3.39Å
301	I	93.9	Very high	91.4	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-46.7	-178.7	-64.1	160.6	0	0	0	110.6	L254 F284 L288 K297 R298 E304 F305 P396	L254-I301 HydrophobicContact CD1-CD1 3.55Å; L254-I301 HydrophobicContact CD1-CG1 3.97Å; F284-I301 HydrophobicContact CD1-CG2 4.29Å; F284-I301 HydrophobicContact CE1-CG2 4.01Å; L288-I301 HydrophobicContact CD1-CD1 4.15Å; L288-I301 HydrophobicContact CD1-CG1 3.94Å; L288-I301 HydrophobicContact CD2-CD1 4.25Å; L288-I301 HydrophobicContact CD2-CG1 4.05Å; L288-I301 HydrophobicContact CG-CG1 4.46Å; K297-I301 WeakPolarHBondContact O-CD1 3.47Å; K297-I301 VanDerWaalsContact O-CG1 3.28Å; K297-I301 WeakPolarHBondContact O-CG1 3.28Å; K297-I301 PolarHBondContact O-N 2.76Å; R298-I301 PolarHBondContact O-N 3.08Å; I301-E304 PolarHBondContact O-N 3.3Å; I301-F305 WeakPolarHBondContact O-CB 3.23Å; I301-F305 PolarHBondContact O-N 2.96Å; I301-P396 HydrophobicContact CD1-CB 3.84Å
302	G	89.2	Confident	90.9	Very high	37 Å²	37	55 Å²	55	38%	0.381	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-49.1	179	0	0	0	0	0	112.5	R298 F305 V306	R298-G302 PolarHBondContact O-N 3.31Å; G302-F305 PolarHBondContact O-N 3.02Å; G302-V306 WeakPolarHBondContact O-CG2 3.3Å; G302-V306 PolarHBondContact O-N 2.9Å
303	N	90.4	Very high	90.3	Very high	87 Å²	87	51.9 Å²	51.9	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-64.4	-44.4	179.5	-69.1	-10.7	0	0	0	111.7	K299 F305 V306 Y307	K299-N303 VanDerWaalsContact O-CB 3.25Å; K299-N303 WeakPolarHBondContact O-CB 3.28Å; K299-N303 PolarHBondContact O-N 3.42Å; K299-N303 PolarHBondContact O-ND2 2.8Å; N303-F305 VanDerWaalsContact C-N 3.3Å; N303-F305 PolarHBondContact O-N 2.63Å; N303-V306 PolarHBondContact O-N 3.33Å; N303-Y307 HydrophobicContact CB-CD2 4.48Å; N303-Y307 HydrophobicContact CB-CE2 3.98Å; N303-Y307 WeakPolarHBondContact O-CD2 3.37Å; N303-Y307 PolarHBondContact O-N 3.04Å
304	E	93.1	Very high	89.6	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-35.3	-177.5	-163.8	62.4	-170	0	0	112.3	R283 F284 K287 I300 I301 Y307 L308	R283-E304 HydrophobicContact CG-CG 4.42Å; R283-E304 IonicContact CZ-OE1 3.72Å; R283-E304 IonicContact NE-OE1 3.63Å; R283-E304 PolarHBondContact NE-OE1 3.36Å; R283-E304 IonicContact NH2-OE1 3.9Å; R283-E304 PolarHBondContact NH2-OE1 2.92Å; R283-E304 VanDerWaalsContact NH2-OE1 3.16Å; F284-E304 HydrophobicContact CD1-CB 4.26Å; F284-E304 HydrophobicContact CD1-CG 4.42Å; F284-E304 HydrophobicContact CD2-CG 4.37Å; F284-E304 HydrophobicContact CE1-CB 3.8Å; F284-E304 HydrophobicContact CE1-CG 4.18Å; F284-E304 HydrophobicContact CE2-CG 4.13Å; F284-E304 HydrophobicContact CZ-CB 3.99Å; F284-E304 HydrophobicContact CZ-CG 4.04Å; K287-E304 VanDerWaalsContact CD-CD 3.45Å; K287-E304 HydrophobicContact CD-CG 3.96Å; K287-E304 VanDerWaalsContact CD-OE2 3.28Å; K287-E304 WeakPolarHBondContact CD-OE2 3.48Å; K287-E304 WeakPolarHBondContact CE-OE1 3.43Å; K287-E304 WeakPolarHBondContact CE-OE2 3.36Å; K287-E304 IonicContact NZ-OE1 3.54Å; K287-E304 PolarHBondContact NZ-OE1 3.46Å; K287-E304 IonicContact NZ-OE2 2.76Å; K287-E304 PolarHBondContact NZ-OE2 3.43Å; I300-E304 VanDerWaalsContact O-CB 3.26Å; I300-E304 WeakPolarHBondContact O-CB 3.28Å; I300-E304 PolarHBondContact O-N 3.39Å; I301-E304 PolarHBondContact O-N 3.3Å; E304-Y307 PolarHBondContact O-N 3.37Å; E304-L308 VanDerWaalsContact O-CB 3.32Å; E304-L308 WeakPolarHBondContact O-CB 3.32Å; E304-L308 PolarHBondContact O-N 3.09Å
305	F	89.4	Confident	89.1	Confident	54 Å²	54	55.6 Å²	55.6	24%	0.237	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-46	172.7	-174	-84.7	0	0	0	111.5	V250 F284 I301 G302 N303 L308 F309	V250-F305 HydrophobicContact CB-CD2 4.23Å; V250-F305 HydrophobicContact CB-CE2 3.75Å; V250-F305 HydrophobicContact CG1-CD2 4.13Å; V250-F305 HydrophobicContact CG1-CE2 4.15Å; V250-F305 HydrophobicContact CG2-CE2 4.16Å; F284-F305 HydrophobicContact CE1-CB 4.41Å; F284-F305 HydrophobicContact CZ-CB 4.09Å; I301-F305 WeakPolarHBondContact O-CB 3.23Å; I301-F305 PolarHBondContact O-N 2.96Å; G302-F305 PolarHBondContact O-N 3.02Å; N303-F305 VanDerWaalsContact C-N 3.3Å; N303-F305 PolarHBondContact O-N 2.63Å; F305-L308 PolarHBondContact O-N 3.13Å; F305-F309 VanDerWaalsContact O-CB 3.23Å; F305-F309 WeakPolarHBondContact O-CB 3.27Å; F305-F309 PolarHBondContact O-N 3.36Å
306	V	83.9	Confident	88.6	Confident	21 Å²	21	51 Å²	51	13%	0.127	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-48.5	177.9	169.8	0	0	0	0	111.1	G302 N303 L308 F309 D310 V351 G353	G302-V306 WeakPolarHBondContact O-CG2 3.3Å; G302-V306 PolarHBondContact O-N 2.9Å; N303-V306 PolarHBondContact O-N 3.33Å; V306-L308 PolarHBondContact O-N 3.18Å; V306-F309 PolarHBondContact O-N 3.08Å; V306-D310 WeakPolarHBondContact O-CB 3.18Å; V306-D310 PolarHBondContact O-N 3.36Å; V306-V351 HydrophobicContact CG2-CG1 4.46Å; V306-G353 VanDerWaalsContact CG1-C 3.4Å; V306-G353 WeakPolarHBondContact CG1-O 3.31Å
307	Y	87.1	Confident	87.7	Confident	128 Å²	128	45.8 Å²	45.8	50%	0.502	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-45	179.7	-63.2	-44	0	0	0	112.4	N303 E304 F309 D310 D311	N303-Y307 HydrophobicContact CB-CD2 4.48Å; N303-Y307 HydrophobicContact CB-CE2 3.98Å; N303-Y307 WeakPolarHBondContact O-CD2 3.37Å; N303-Y307 PolarHBondContact O-N 3.04Å; E304-Y307 PolarHBondContact O-N 3.37Å; Y307-F309 VanDerWaalsContact C-N 3.35Å; Y307-D310 PolarHBondContact O-N 2.7Å; Y307-D311 WeakPolarHBondContact O-CB 3.43Å; Y307-D311 PolarHBondContact O-N 2.99Å
308	L	89.1	Confident	86.7	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-40.6	177.9	177.5	69.3	0	0	0	111.8	V250 V278 A280 R283 F284 E304 F305 V306 D310 D311 E312	V250-L308 HydrophobicContact CB-CD2 4.36Å; V250-L308 HydrophobicContact CG1-CD2 3.46Å; V250-L308 VanDerWaalsContact CG1-CD2 3.46Å; V250-L308 HydrophobicContact CG2-CD2 3.95Å; V250-L308 HydrophobicContact CG2-CG 4.47Å; V278-L308 HydrophobicContact CG1-CD1 4.08Å; V278-L308 HydrophobicContact CG1-CD2 4.06Å; V278-L308 HydrophobicContact CG1-CG 4.35Å; A280-L308 HydrophobicContact CB-CD2 3.37Å; R283-L308 VanDerWaalsContact NH1-CD1 3.3Å; F284-L308 HydrophobicContact CE2-CD2 3.99Å; E304-L308 VanDerWaalsContact O-CB 3.32Å; E304-L308 WeakPolarHBondContact O-CB 3.32Å; E304-L308 PolarHBondContact O-N 3.09Å; F305-L308 PolarHBondContact O-N 3.13Å; V306-L308 PolarHBondContact O-N 3.18Å; L308-D310 VanDerWaalsContact C-N 3.33Å; L308-D311 PolarHBondContact O-N 3.21Å; L308-E312 PolarHBondContact O-N 3.04Å; L308-E312 VanDerWaalsContact O-N 3.12Å
309	F	85.7	Confident	85.8	Confident	3 Å²	3	52.2 Å²	52.2	1%	0.013	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-41.8	177.5	-174.6	-93.3	0	0	0	111	L221 G223 I248 F305 V306 Y307 E312 A313 L325 L354	L221-F309 HydrophobicContact CD2-CE1 4.39Å; L221-F309 HydrophobicContact CD2-CZ 4.04Å; L221-F309 HydrophobicContact CG-CZ 4.31Å; G223-F309 VanDerWaalsContact CA-CE2 3.44Å; I248-F309 HydrophobicContact CB-CD2 4.38Å; I248-F309 HydrophobicContact CB-CE2 4.03Å; I248-F309 HydrophobicContact CD1-CD2 4.25Å; I248-F309 HydrophobicContact CD1-CE2 3.92Å; I248-F309 HydrophobicContact CD1-CZ 4.45Å; I248-F309 HydrophobicContact CG2-CD2 4.39Å; F305-F309 VanDerWaalsContact O-CB 3.23Å; F305-F309 WeakPolarHBondContact O-CB 3.27Å; F305-F309 PolarHBondContact O-N 3.36Å; V306-F309 PolarHBondContact O-N 3.08Å; Y307-F309 VanDerWaalsContact C-N 3.35Å; F309-E312 PolarHBondContact O-N 3.32Å; F309-A313 HydrophobicContact CD1-CB 4.44Å; F309-A313 HydrophobicContact CE1-CB 4.26Å; F309-A313 WeakPolarHBondContact O-CB 3.42Å; F309-A313 PolarHBondContact O-N 3.3Å; F309-L325 HydrophobicContact CE1-CD1 3.8Å; F309-L325 HydrophobicContact CZ-CD1 3.77Å; F309-L354 HydrophobicContact CD1-CD2 4.02Å; F309-L354 HydrophobicContact CE1-CD2 4.43Å
310	D	83.4	Confident	84.8	Confident	32 Å²	32	49.4 Å²	49.4	17%	0.171	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-44.3	175.8	-176.1	43.1	0	0	0	112.5	V306 Y307 L308 E312 A313 T314 M358	V306-D310 WeakPolarHBondContact O-CB 3.18Å; V306-D310 PolarHBondContact O-N 3.36Å; Y307-D310 PolarHBondContact O-N 2.7Å; L308-D310 VanDerWaalsContact C-N 3.33Å; D310-E312 VanDerWaalsContact C-N 3.31Å; D310-E312 PolarHBondContact O-N 2.87Å; D310-A313 PolarHBondContact O-N 2.86Å; D310-T314 VanDerWaalsContact O-CB 3.29Å; D310-T314 WeakPolarHBondContact O-CB 3.43Å; D310-T314 PolarHBondContact O-N 2.93Å; D310-T314 PolarHBondContact O-OG1 2.97Å; D310-T314 VanDerWaalsContact O-OG1 3.09Å; D310-T314 PolarHBondContact OD1-OG1 3.18Å; D310-M358 HydrophobicContact CB-CE 4.39Å; D310-M358 WeakPolarHBondContact OD1-CE 3.29Å
311	D	86	Confident	84.1	Confident	77 Å²	77	49.6 Å²	49.6	41%	0.412	29%	0.285	S	S	.	.	H	α-helix	trans	-53.1	-49	174.8	-71.5	-28.5	0	0	0	110.7	R283 Y307 L308 K315	R283-D311 IonicContact CZ-OD2 2.66Å; R283-D311 IonicContact NH1-OD2 3.52Å; R283-D311 PolarHBondContact NH1-OD2 3.35Å; R283-D311 IonicContact NH2-OD2 2.65Å; R283-D311 PolarHBondContact NH2-OD2 2.94Å; R283-D311 VanDerWaalsContact NH2-OD2 3.14Å; Y307-D311 WeakPolarHBondContact O-CB 3.43Å; Y307-D311 PolarHBondContact O-N 2.99Å; L308-D311 PolarHBondContact O-N 3.21Å; D311-K315 WeakPolarHBondContact O-CB 3.25Å; D311-K315 PolarHBondContact O-N 3.38Å
312	E	86.9	Confident	83.7	Confident	37 Å²	37	49.9 Å²	49.9	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-76.5	-35.9	-178.7	-66.5	-62.8	153.6	0	0	112.7	I248 V278 L308 F309 D310 K315 L316	I248-E312 HydrophobicContact CD1-CB 3.86Å; V278-E312 HydrophobicContact CG2-CG 4Å; L308-E312 PolarHBondContact O-N 3.04Å; L308-E312 VanDerWaalsContact O-N 3.12Å; F309-E312 PolarHBondContact O-N 3.32Å; D310-E312 VanDerWaalsContact C-N 3.31Å; D310-E312 PolarHBondContact O-N 2.87Å; E312-K315 PolarHBondContact O-N 3.23Å; E312-K315 IonicContact OE1-NZ 3.64Å; E312-K315 IonicContact OE2-NZ 3.93Å; E312-K315 PolarHBondContact OE2-NZ 2.65Å; E312-L316 WeakPolarHBondContact O-CB 3.21Å; E312-L316 VanDerWaalsContact O-CG 3.31Å; E312-L316 WeakPolarHBondContact O-CG 3.39Å; E312-L316 PolarHBondContact O-N 3.04Å
313	A	82.9	Confident	83.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-46.8	176.2	0	0	0	0	0	111.5	L221 F309 D310 K315 L316 A317 F360	L221-A313 HydrophobicContact CD2-CB 3.39Å; F309-A313 HydrophobicContact CD1-CB 4.44Å; F309-A313 HydrophobicContact CE1-CB 4.26Å; F309-A313 WeakPolarHBondContact O-CB 3.42Å; F309-A313 PolarHBondContact O-N 3.3Å; D310-A313 PolarHBondContact O-N 2.86Å; A313-K315 PolarHBondContact O-N 2.59Å; A313-L316 PolarHBondContact O-N 3.23Å; A313-A317 VanDerWaalsContact O-CB 3.28Å; A313-A317 WeakPolarHBondContact O-CB 3.41Å; A313-A317 PolarHBondContact O-N 3.28Å; A313-F360 HydrophobicContact CB-CE2 4.48Å
314	T	81.7	Confident	83.7	Confident	82 Å²	82	45.7 Å²	45.7	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-43.6	178.6	-68	0	0	0	0	111.3	D310 L316 A317 G318	D310-T314 VanDerWaalsContact O-CB 3.29Å; D310-T314 WeakPolarHBondContact O-CB 3.43Å; D310-T314 PolarHBondContact O-N 2.93Å; D310-T314 PolarHBondContact O-OG1 2.97Å; D310-T314 VanDerWaalsContact O-OG1 3.09Å; D310-T314 PolarHBondContact OD1-OG1 3.18Å; T314-L316 PolarHBondContact O-N 3.18Å; T314-A317 PolarHBondContact O-N 3.35Å; T314-G318 PolarHBondContact O-N 3.43Å
315	K	83.9	Confident	83.6	Confident	105 Å²	105	45.5 Å²	45.5	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-45.5	175.8	176.4	-177.6	162.2	-157.8	0	111.9	D311 E312 A313 Q319	D311-K315 WeakPolarHBondContact O-CB 3.25Å; D311-K315 PolarHBondContact O-N 3.38Å; E312-K315 PolarHBondContact O-N 3.23Å; E312-K315 IonicContact OE1-NZ 3.64Å; E312-K315 IonicContact OE2-NZ 3.93Å; E312-K315 PolarHBondContact OE2-NZ 2.65Å; A313-K315 PolarHBondContact O-N 2.59Å; K315-Q319 VanDerWaalsContact O-CG 3.24Å; K315-Q319 WeakPolarHBondContact O-CG 3.12Å; K315-Q319 PolarHBondContact O-N 2.79Å
316	L	82.4	Confident	83.8	Confident	10 Å²	10	43 Å²	43	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-72	-38.6	178.8	-70.1	171.2	0	0	0	112.5	L221 T246 I248 I276 E312 A313 T314 G318 Q319 E320 I322	L221-L316 HydrophobicContact CD1-CD1 3.98Å; T246-L316 HydrophobicContact CG2-CD1 4.15Å; I248-L316 HydrophobicContact CD1-CD1 3.88Å; I248-L316 HydrophobicContact CG1-CD1 3.94Å; I276-L316 HydrophobicContact CD1-CD1 3.6Å; I276-L316 HydrophobicContact CD1-CD2 3.63Å; I276-L316 HydrophobicContact CD1-CG 4.25Å; E312-L316 WeakPolarHBondContact O-CB 3.21Å; E312-L316 VanDerWaalsContact O-CG 3.31Å; E312-L316 WeakPolarHBondContact O-CG 3.39Å; E312-L316 PolarHBondContact O-N 3.04Å; A313-L316 PolarHBondContact O-N 3.23Å; T314-L316 PolarHBondContact O-N 3.18Å; L316-G318 PolarHBondContact O-N 2.88Å; L316-Q319 PolarHBondContact O-N 2.65Å; L316-E320 WeakPolarHBondContact O-CB 3.32Å; L316-E320 PolarHBondContact O-N 3.27Å; L316-I322 HydrophobicContact CB-CD1 3.7Å
317	A	76	Confident	84	Confident	22 Å²	22	42.9 Å²	42.9	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-42.6	178.5	0	0	0	0	0	112	A313 T314 Q319 G321 I322 F360	A313-A317 VanDerWaalsContact O-CB 3.28Å; A313-A317 WeakPolarHBondContact O-CB 3.41Å; A313-A317 PolarHBondContact O-N 3.28Å; T314-A317 PolarHBondContact O-N 3.35Å; A317-Q319 VanDerWaalsContact C-N 3.28Å; A317-Q319 PolarHBondContact O-N 2.84Å; A317-G321 WeakPolarHBondContact O-CA 3.3Å; A317-G321 PolarHBondContact O-N 3.02Å; A317-I322 HydrophobicContact CB-CB 4.1Å; A317-F360 HydrophobicContact CB-CE1 3.82Å; A317-F360 HydrophobicContact CB-CZ 3.65Å
318	G	75.2	Confident	84.1	Confident	73 Å²	73	37.7 Å²	37.7	75%	0.753	23%	0.23	S	C	*	.	H	α-helix	trans	-65.4	-29.4	175	0	0	0	0	0	113.9	T314 L316	T314-G318 PolarHBondContact O-N 3.43Å; L316-G318 PolarHBondContact O-N 2.88Å
319	Q	74	Confident	84	Confident	139 Å²	139	37.5 Å²	37.5	65%	0.65	23%	0.229	S	C	*	.	H	α-helix	trans	-87.9	-37.5	-178.6	-71.3	175.7	3.3	0	0	113.1	K315 L316 A317	K315-Q319 VanDerWaalsContact O-CG 3.24Å; K315-Q319 WeakPolarHBondContact O-CG 3.12Å; K315-Q319 PolarHBondContact O-N 2.79Å; L316-Q319 PolarHBondContact O-N 2.65Å; A317-Q319 VanDerWaalsContact C-N 3.28Å; A317-Q319 PolarHBondContact O-N 2.84Å
320	E	72.4	Confident	84.2	Confident	68 Å²	68	37.9 Å²	37.9	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-113.2	-7.5	-169.3	-64.5	-154.4	-172.4	0	0	114.7	K219 L316 I322	K219-E320 HydrophobicContact CD-CB 4.02Å; K219-E320 IonicContact NZ-OE2 3.08Å; K219-E320 PolarHBondContact NZ-OE2 3.3Å; L316-E320 WeakPolarHBondContact O-CB 3.32Å; L316-E320 PolarHBondContact O-N 3.27Å; E320-I322 HydrophobicContact CB-CG1 4.17Å
321	G	78.8	Confident	84.5	Confident	48 Å²	48	36.9 Å²	36.9	50%	0.495	23%	0.225	S	C	.	.			trans	70.1	39.8	-178.1	0	0	0	0	0	113.1	A317 S323	A317-G321 WeakPolarHBondContact O-CA 3.3Å; A317-G321 PolarHBondContact O-N 3.02Å; G321-S323 PolarHBondContact O-N 3.32Å
322	I	85.4	Confident	84.3	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.062	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.9	177.8	-58.6	-178.1	0	0	0	109.4	K219 L221 L316 A317 E320 F324 F360	K219-I322 HydrophobicContact CB-CG1 4.29Å; L221-I322 HydrophobicContact CB-CD1 4.13Å; L221-I322 HydrophobicContact CB-CG2 3.77Å; L221-I322 HydrophobicContact CD1-CD1 4.02Å; L221-I322 HydrophobicContact CG-CD1 4.49Å; L316-I322 HydrophobicContact CB-CD1 3.7Å; A317-I322 HydrophobicContact CB-CB 4.1Å; E320-I322 HydrophobicContact CB-CG1 4.17Å; I322-F324 WeakPolarHBondContact CG2-O 3.32Å; I322-F360 HydrophobicContact CB-CE1 3.99Å; I322-F360 HydrophobicContact CG2-CD1 4.1Å; I322-F360 HydrophobicContact CG2-CE1 3.65Å; I322-F360 HydrophobicContact CG2-CZ 4.47Å; I322-F360 WeakPolarHBondContact O-CE1 3.49Å
323	S	88.4	Confident	84.1	Confident	35 Å²	35	34.3 Å²	34.3	25%	0.245	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-20.3	-179.3	-56.1	0	0	0	0	113.4	K219 G321 F360 E361	K219-S323 PolarHBondContact O-N 2.94Å; K219-S323 VanDerWaalsContact O-N 3.13Å; G321-S323 PolarHBondContact O-N 3.32Å; S323-F360 WeakPolarHBondContact O-CA 3.47Å; S323-E361 PolarHBondContact O-N 3.07Å
324	F	91.9	Very high	84.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.9	-176.3	-66	-83	0	0	0	112.5	Q214 V215 K218 K219 V220 L221 I322 E361 I363	Q214-F324 HydrophobicContact CG-CE1 4.18Å; Q214-F324 HydrophobicContact CG-CZ 4.43Å; Q214-F324 VanDerWaalsContact O-CZ 3.31Å; Q214-F324 WeakPolarHBondContact O-CZ 3.31Å; V215-F324 HydrophobicContact CB-CE2 4.33Å; V215-F324 HydrophobicContact CG1-CD2 4.36Å; V215-F324 HydrophobicContact CG1-CE2 4.35Å; V215-F324 HydrophobicContact CG2-CD2 4.33Å; V215-F324 HydrophobicContact CG2-CE2 4.36Å; K218-F324 HydrophobicContact CB-CD2 4.14Å; K218-F324 HydrophobicContact CB-CE2 3.87Å; K218-F324 HydrophobicContact CD-CD2 4.41Å; K218-F324 HydrophobicContact CD-CE2 3.59Å; K218-F324 HydrophobicContact CD-CZ 4.21Å; K218-F324 HydrophobicContact CG-CE2 4.36Å; K219-F324 PolarHBondContact O-N 2.79Å; V220-F324 HydrophobicContact CB-CB 4.31Å; V220-F324 HydrophobicContact CG1-CB 4.14Å; V220-F324 HydrophobicContact CG2-CB 3.96Å; V220-F324 HydrophobicContact CG2-CD2 4.31Å; V220-F324 HydrophobicContact CG2-CG 4.46Å; L221-F324 PolarHBondContact N-O 3.42Å; I322-F324 WeakPolarHBondContact CG2-O 3.32Å; F324-E361 CarbonylContact C-O 3.49Å; F324-E361 WeakPolarHBondContact CA-O 3.29Å; F324-E361 HydrophobicContact CD1-CB 3.39Å; F324-E361 WeakPolarHBondContact CD1-O 3.11Å; F324-E361 HydrophobicContact CE1-CB 3.41Å; F324-E361 VanDerWaalsContact CE1-CB 3.41Å; F324-E361 HydrophobicContact CE1-CG 4.22Å; F324-E361 WeakPolarHBondContact CE1-OE2 3.33Å; F324-E361 HydrophobicContact CG-CB 4.41Å; F324-E361 HydrophobicContact CZ-CB 4.45Å; F324-I363 HydrophobicContact CB-CD1 3.65Å; F324-I363 HydrophobicContact CB-CG1 4.11Å; F324-I363 HydrophobicContact CD1-CD1 3.62Å; F324-I363 HydrophobicContact CD1-CG1 3.67Å; F324-I363 HydrophobicContact CD2-CD1 4.33Å; F324-I363 HydrophobicContact CE1-CD1 4.35Å; F324-I363 HydrophobicContact CE1-CG1 4.42Å; F324-I363 HydrophobicContact CG-CD1 3.63Å; F324-I363 HydrophobicContact CG-CG1 4.13Å
325	L	91.3	Very high	83.9	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.8	168.3	178.6	70	0	0	0	109.7	L221 F309 L354 F360 E361 L362 I363	L221-L325 HydrophobicContact CB-CD1 4.22Å; L221-L325 HydrophobicContact CD2-CD1 4.32Å; L221-L325 HydrophobicContact CG-CD1 4.33Å; F309-L325 HydrophobicContact CE1-CD1 3.8Å; F309-L325 HydrophobicContact CZ-CD1 3.77Å; L325-L354 HydrophobicContact CD2-CD1 3.21Å; L325-F360 HydrophobicContact CB-CB 3.84Å; L325-F360 HydrophobicContact CB-CD2 4.27Å; L325-F360 HydrophobicContact CB-CG 4.15Å; L325-E361 PolarHBondContact N-O 2.75Å; L325-L362 HydrophobicContact CB-CD2 4.25Å; L325-L362 HydrophobicContact CD2-CD2 4.2Å; L325-L362 HydrophobicContact CG-CD2 4.44Å; L325-L362 WeakPolarHBondContact O-CA 3.41Å; L325-I363 PolarHBondContact O-N 2.82Å
326	A	93	Very high	83.3	Confident	3 Å²	3	31.3 Å²	31.3	3%	0.025	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142	177.4	0	0	0	0	0	112.5	V220 L221 L222 V233 L237 I363	V220-A326 HydrophobicContact CG1-CB 3.85Å; L221-A326 PolarHBondContact O-N 3.12Å; L222-A326 HydrophobicContact CB-CB 4.31Å; L222-A326 HydrophobicContact CD1-CB 3.94Å; L222-A326 WeakPolarHBondContact CD1-O 3.3Å; V233-A326 HydrophobicContact CG1-CB 4.18Å; L237-A326 HydrophobicContact CD1-CB 3.42Å; L237-A326 VanDerWaalsContact CD1-CB 3.42Å; A326-I363 CarbonylContact C-O 3.58Å; A326-I363 VanDerWaalsContact CA-O 3.26Å; A326-I363 WeakPolarHBondContact CA-O 3.38Å; A326-I363 HydrophobicContact CB-CB 4.47Å
327	Q	88.4	Confident	82.4	Confident	17 Å²	17	35.7 Å²	35.7	8%	0.079	23%	0.231	C	C	.	.			trans	-135.2	151.8	178.4	-64.5	-174.3	-22.2	0	0	112	T329 V351 I363 E364 P365	Q327-T329 VanDerWaalsContact C-N 3.27Å; Q327-T329 PolarHBondContact O-N 3.36Å; Q327-V351 HydrophobicContact CG-CG2 4.41Å; Q327-I363 PolarHBondContact N-O 3.49Å; Q327-E364 HydrophobicContact CB-CG 4.36Å; Q327-P365 WeakPolarHBondContact O-CD 3.36Å
328	G	89.9	Confident	81.4	Confident	19 Å²	19	37.6 Å²	37.6	20%	0.196	25%	0.253	C	S	.	.			trans	-88.1	27.5	178.1	0	0	0	0	0	114.7	L330	G328-L330 PolarHBondContact O-N 3.43Å
329	T	86.7	Confident	80.3	Confident	4 Å²	4	35.4 Å²	35.4	3%	0.025	23%	0.225	C	C	.	.			trans	-54.3	126.5	-179.5	-50.8	0	0	0	0	110.8	Q327 D333 V334 N350 E364 L366 N367	Q327-T329 VanDerWaalsContact C-N 3.27Å; Q327-T329 PolarHBondContact O-N 3.36Å; T329-D333 HydrophobicContact CG2-CB 3.98Å; T329-V334 HydrophobicContact CG2-CG2 4.16Å; T329-N350 VanDerWaalsContact CG2-ND2 3.31Å; T329-N350 WeakPolarHBondContact CG2-ND2 3.44Å; T329-N350 VanDerWaalsContact OG1-CG 3.32Å; T329-N350 PolarHBondContact OG1-ND2 3.33Å; T329-N350 PolarHBondContact OG1-OD1 3.48Å; T329-E364 VanDerWaalsContact CB-OE1 3.23Å; T329-E364 WeakPolarHBondContact CB-OE1 3.39Å; T329-E364 WeakPolarHBondContact CG2-OE1 3.45Å; T329-E364 PolarHBondContact OG1-OE1 3.41Å; T329-L366 CarbonylContact O-C 3.52Å; T329-N367 VanDerWaalsContact O-CA 3.23Å; T329-N367 WeakPolarHBondContact O-CA 3.2Å; T329-N367 PolarHBondContact O-N 2.68Å
330	L	90.1	Very high	79.3	Confident	10 Å²	10	35.9 Å²	35.9	5%	0.052	23%	0.227	C	C	.	.			trans	-96.6	166.1	179.1	-58.2	-175.5	0	0	0	111.3	D229 G328 T332 D333 V334 L366 K371 V374	D229-L330 HydrophobicContact CB-CD2 4.48Å; G328-L330 PolarHBondContact O-N 3.43Å; L330-T332 PolarHBondContact O-N 3.27Å; L330-D333 WeakPolarHBondContact CB-OD2 3.26Å; L330-D333 PolarHBondContact N-OD2 2.84Å; L330-D333 WeakPolarHBondContact O-CB 3.49Å; L330-D333 PolarHBondContact O-N 3.16Å; L330-V334 PolarHBondContact O-N 2.75Å; L330-L366 HydrophobicContact CD2-CB 4.09Å; L330-L366 HydrophobicContact CD2-CD1 4.36Å; L330-K371 HydrophobicContact CD1-CB 4.42Å; L330-K371 HydrophobicContact CD1-CD 3.71Å; L330-V374 HydrophobicContact CD2-CG2 3.62Å
331	Y	88.8	Confident	78.1	Confident	12 Å²	12	36.2 Å²	36.2	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-31	178.6	-169.4	-141.4	0	0	0	113.4	T21 E32 L33 D333 V334 I335 N367 L369 F370	T21-Y331 HydrophobicContact CG2-CE1 4.07Å; E32-Y331 WeakPolarHBondContact CA-OH 3.5Å; E32-Y331 WeakPolarHBondContact CG-OH 3.37Å; L33-Y331 PolarHBondContact N-OH 3.45Å; L33-Y331 PolarHBondContact O-OH 3.46Å; Y331-D333 VanDerWaalsContact C-N 3.26Å; Y331-D333 PolarHBondContact O-N 3.06Å; Y331-V334 HydrophobicContact CD2-CB 4.28Å; Y331-V334 PolarHBondContact O-N 3.2Å; Y331-I335 HydrophobicContact CD1-CD1 3.82Å; Y331-I335 HydrophobicContact CD2-CD1 4.34Å; Y331-I335 HydrophobicContact CD2-CG1 4.28Å; Y331-I335 HydrophobicContact CE1-CD1 3.67Å; Y331-I335 HydrophobicContact CE1-CG1 4.36Å; Y331-I335 HydrophobicContact CE2-CD1 4.19Å; Y331-I335 HydrophobicContact CE2-CG1 4Å; Y331-I335 HydrophobicContact CG-CD1 4.15Å; Y331-I335 VanDerWaalsContact O-CG1 3.29Å; Y331-I335 WeakPolarHBondContact O-CG1 3.47Å; Y331-I335 PolarHBondContact O-N 3.01Å; Y331-N367 WeakPolarHBondContact CA-O 3.14Å; Y331-N367 VanDerWaalsContact CD2-O 3.28Å; Y331-N367 WeakPolarHBondContact CD2-O 3.39Å; Y331-L369 VanDerWaalsContact CB-O 3.28Å; Y331-L369 WeakPolarHBondContact CB-O 3.22Å; Y331-L369 PolarHBondContact N-O 3.39Å; Y331-F370 HydrophobicContact CD1-CD2 4.4Å; Y331-F370 HydrophobicContact CD1-CE1 4.03Å; Y331-F370 AromaticContact CD1-CE2 3.78Å; Y331-F370 HydrophobicContact CD1-CE2 3.78Å; Y331-F370 AromaticContact CD1-CZ 3.57Å; Y331-F370 HydrophobicContact CD1-CZ 3.57Å; Y331-F370 HydrophobicContact CE1-CE2 4.25Å; Y331-F370 AromaticContact CE1-CZ 3.98Å; Y331-F370 HydrophobicContact CE1-CZ 3.98Å
332	T	82.6	Confident	76.3	Confident	28 Å²	28	35.5 Å²	35.5	17%	0.172	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-37.4	172.8	49	0	0	0	0	112.2	L330 I335 E336 F370	L330-T332 PolarHBondContact O-N 3.27Å; T332-I335 PolarHBondContact O-N 2.87Å; T332-E336 WeakPolarHBondContact O-CB 3.4Å; T332-E336 WeakPolarHBondContact O-CG 3.33Å; T332-E336 PolarHBondContact O-N 3.49Å; T332-F370 HydrophobicContact CG2-CD1 3.9Å; T332-F370 HydrophobicContact CG2-CE1 4.13Å
333	D	82.1	Confident	73.7	Confident	31 Å²	31	42.7 Å²	42.7	17%	0.166	26%	0.256	C	S	.	.	H	α-helix	trans	-71.2	-39.4	-179.6	-50.9	-43.2	0	0	0	110.3	T329 L330 Y331 E336 S337	T329-D333 HydrophobicContact CG2-CB 3.98Å; L330-D333 WeakPolarHBondContact CB-OD2 3.26Å; L330-D333 PolarHBondContact N-OD2 2.84Å; L330-D333 WeakPolarHBondContact O-CB 3.49Å; L330-D333 PolarHBondContact O-N 3.16Å; Y331-D333 VanDerWaalsContact C-N 3.26Å; Y331-D333 PolarHBondContact O-N 3.06Å; D333-E336 PolarHBondContact O-N 2.99Å; D333-S337 WeakPolarHBondContact O-CB 3.43Å; D333-S337 PolarHBondContact O-N 3.22Å; D333-S337 PolarHBondContact O-OG 3.27Å
334	V	82.6	Confident	70.8	Confident	53 Å²	53	48 Å²	48	32%	0.321	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-47.1	174	179.2	0	0	0	0	110.8	T329 L330 Y331 S337 G338 N367	T329-V334 HydrophobicContact CG2-CG2 4.16Å; L330-V334 PolarHBondContact O-N 2.75Å; Y331-V334 HydrophobicContact CD2-CB 4.28Å; Y331-V334 PolarHBondContact O-N 3.2Å; V334-S337 PolarHBondContact O-N 3.39Å; V334-S337 PolarHBondContact O-OG 2.76Å; V334-G338 PolarHBondContact O-N 2.68Å; V334-N367 HydrophobicContact CG2-CB 3.9Å
335	I	78.3	Confident	67.8	Low	12 Å²	12	54.3 Å²	54.3	6%	0.062	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-51.7	178.4	-68.2	164.2	0	0	0	110.4	Q18 L33 Y331 T332 S337 G338 T339	Q18-I335 HydrophobicContact CG-CD1 4.26Å; L33-I335 HydrophobicContact CB-CD1 4.18Å; L33-I335 HydrophobicContact CD2-CD1 3.98Å; L33-I335 HydrophobicContact CD2-CG1 4.32Å; L33-I335 HydrophobicContact CD2-CG2 3.81Å; Y331-I335 HydrophobicContact CD1-CD1 3.82Å; Y331-I335 HydrophobicContact CD2-CD1 4.34Å; Y331-I335 HydrophobicContact CD2-CG1 4.28Å; Y331-I335 HydrophobicContact CE1-CD1 3.67Å; Y331-I335 HydrophobicContact CE1-CG1 4.36Å; Y331-I335 HydrophobicContact CE2-CD1 4.19Å; Y331-I335 HydrophobicContact CE2-CG1 4Å; Y331-I335 HydrophobicContact CG-CD1 4.15Å; Y331-I335 VanDerWaalsContact O-CG1 3.29Å; Y331-I335 WeakPolarHBondContact O-CG1 3.47Å; Y331-I335 PolarHBondContact O-N 3.01Å; T332-I335 PolarHBondContact O-N 2.87Å; I335-S337 PolarHBondContact O-N 3Å; I335-G338 PolarHBondContact O-N 2.98Å; I335-T339 HydrophobicContact CG2-CG2 3.86Å; I335-T339 PolarHBondContact O-N 3.09Å; I335-T339 PolarHBondContact O-OG1 2.75Å
336	E	70.3	Confident	65	Low	59 Å²	59	59.3 Å²	59.3	28%	0.276	34%	0.342	S	S	.	.	H	α-helix	trans	-58.1	-32.2	180	-75.6	179.5	-163.2	0	0	112.2	T332 D333 K346	T332-E336 WeakPolarHBondContact O-CB 3.4Å; T332-E336 WeakPolarHBondContact O-CG 3.33Å; T332-E336 PolarHBondContact O-N 3.49Å; D333-E336 PolarHBondContact O-N 2.99Å; E336-K346 IonicContact OE1-NZ 3.69Å; E336-K346 WeakPolarHBondContact OE2-CD 3.38Å
337	S	64.6	Low	61.9	Low	102 Å²	102	63.4 Å²	63.4	71%	0.713	37%	0.37	S	S	*	.	H	α-helix	trans	-79.8	-26.4	175.1	73.9	0	0	0	0	114.7	D333 V334 I335	D333-S337 WeakPolarHBondContact O-CB 3.43Å; D333-S337 PolarHBondContact O-N 3.22Å; D333-S337 PolarHBondContact O-OG 3.27Å; V334-S337 PolarHBondContact O-N 3.39Å; V334-S337 PolarHBondContact O-OG 2.76Å; I335-S337 PolarHBondContact O-N 3Å
338	G	55.7	Low	59.3	Low	62 Å²	62	70 Å²	70	64%	0.639	40%	0.401	S	S	*	.	H	α-helix	trans	-100.3	-17.4	-172.4	0	0	0	0	0	115.1	V334 I335	V334-G338 PolarHBondContact O-N 2.68Å; I335-G338 PolarHBondContact O-N 2.98Å
339	T	50.8	Low	56.8	Low	27 Å²	27	75.6 Å²	75.6	17%	0.166	42%	0.421	C	S	.	.			trans	-94.9	122.8	-179.9	54.9	0	0	0	0	111.7	I335 T341 A342	I335-T339 HydrophobicContact CG2-CG2 3.86Å; I335-T339 PolarHBondContact O-N 3.09Å; I335-T339 PolarHBondContact O-OG1 2.75Å; T339-T341 PolarHBondContact O-N 3.47Å; T339-A342 PolarHBondContact O-N 3.16Å; T339-A342 WeakPolarHBondContact OG1-CB 3.34Å
340	E	53	Low	54.7	Low	150 Å²	150	78 Å²	78	70%	0.701	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.2	173.7	-66.5	-175.2	-179.1	0	0	113.3	R37	R37-E340 IonicContact CZ-OE1 2.94Å; R37-E340 IonicContact CZ-OE2 3.14Å; R37-E340 VanDerWaalsContact NH1-CD 3.31Å; R37-E340 IonicContact NH1-OE1 3.16Å; R37-E340 PolarHBondContact NH1-OE1 3Å; R37-E340 IonicContact NH1-OE2 3.34Å; R37-E340 PolarHBondContact NH1-OE2 3.32Å; R37-E340 IonicContact NH2-OE1 3.66Å; R37-E340 IonicContact NH2-OE2 3.09Å; R37-E340 PolarHBondContact NH2-OE2 3Å
341	T	48.6	Very low	52.6	Low	74 Å²	74	79.3 Å²	79.3	45%	0.454	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.1	-178.1	50.3	0	0	0	0	113.7	F66 T339 Q343	F66-T341 HydrophobicContact CE2-CG2 4.46Å; F66-T341 HydrophobicContact CZ-CG2 4.48Å; T339-T341 PolarHBondContact O-N 3.47Å; T341-Q343 PolarHBondContact O-N 3.15Å
342	A	39.7	Very low	50.3	Low	33 Å²	33	82.2 Å²	82.2	27%	0.273	48%	0.476	S	S	.	.	S	Bend	trans	-80.7	114.4	178.7	0	0	0	0	0	109.9	T339 T344	T339-A342 PolarHBondContact O-N 3.16Å; T339-A342 WeakPolarHBondContact OG1-CB 3.34Å; A342-T344 PolarHBondContact O-N 3.05Å
343	Q	30.6	Very low	48.6	Very low	163 Å²	163	82.8 Å²	82.8	76%	0.762	49%	0.487	S	S	*	.			trans	-60	130.4	164.6	-71.8	-169	-13	0	0	107.9	T341 I345	T341-Q343 PolarHBondContact O-N 3.15Å; Q343-I345 HydrophobicContact CB-CD1 4.14Å; Q343-I345 HydrophobicContact CB-CG1 4.33Å; Q343-I345 WeakPolarHBondContact O-CG1 3.16Å; Q343-I345 PolarHBondContact O-N 2.99Å
344	T	27.4	Very low	47.3	Very low	146 Å²	146	83 Å²	83	90%	0.896	49%	0.488	S	S	*	.	S	Bend	trans	-58.9	71	-173.7	28.9	0	0	0	0	113.5	A342	A342-T344 PolarHBondContact O-N 3.05Å
345	I	30.4	Very low	45.8	Very low	133 Å²	133	82.7 Å²	82.7	68%	0.682	49%	0.488	S	S	*	.			trans	-95.7	-11.3	-171.1	-70.2	168.4	0	0	0	112.8	Q343	Q343-I345 HydrophobicContact CB-CD1 4.14Å; Q343-I345 HydrophobicContact CB-CG1 4.33Å; Q343-I345 WeakPolarHBondContact O-CG1 3.16Å; Q343-I345 PolarHBondContact O-N 2.99Å
346	K	31	Very low	44.9	Very low	108 Å²	108	92.1 Å²	92.1	47%	0.47	53%	0.531	S	S	.	.			trans	-137.1	89.1	177.3	-66.6	-172.2	-171.7	155.3	0	114.1	E336	E336-K346 IonicContact OE1-NZ 3.69Å; E336-K346 WeakPolarHBondContact OE2-CD 3.38Å
347	S	29	Very low	44.3	Very low	89 Å²	89	95.4 Å²	95.4	62%	0.622	55%	0.551	S	S	*	*	S	Bend	trans	-92.9	4.5	168.5	52.2	0	0	0	0	113.8
348	H	32.7	Very low	44.1	Very low	155 Å²	155	92.5 Å²	92.5	72%	0.718	53%	0.526	S	S	*	.	S	Bend	trans	-126.9	13.2	-161	-67.5	-1.8	0	0	0	116.4
349	H	37.9	Very low	44.9	Very low	137 Å²	137	98.6 Å²	98.6	63%	0.634	54%	0.538	S	S	*	.	S	Bend	trans	-104	-20.9	-178.7	-84.4	-75.2	0	0	0	115.8
350	N	42.6	Very low	46.3	Very low	55 Å²	55	99 Å²	99	29%	0.294	54%	0.538	S	S	.	.	S	Bend	trans	-94.7	165.5	164.1	-69.6	-19.1	0	0	0	108.9	T329 G352	T329-N350 VanDerWaalsContact CG2-ND2 3.31Å; T329-N350 WeakPolarHBondContact CG2-ND2 3.44Å; T329-N350 VanDerWaalsContact OG1-CG 3.32Å; T329-N350 PolarHBondContact OG1-ND2 3.33Å; T329-N350 PolarHBondContact OG1-OD1 3.48Å; N350-G352 PolarHBondContact O-N 3.39Å
351	V	46	Very low	48	Very low	37 Å²	37	96.7 Å²	96.7	22%	0.224	53%	0.527	C	S	.	.			trans	-71	54.1	179	-150.7	0	0	0	0	109.9	V306 Q327 G353 L354	V306-V351 HydrophobicContact CG2-CG1 4.46Å; Q327-V351 HydrophobicContact CG-CG2 4.41Å; V351-G353 PolarHBondContact O-N 3.04Å; V351-L354 HydrophobicContact CB-CD1 3.75Å; V351-L354 HydrophobicContact CB-CD2 4.49Å; V351-L354 HydrophobicContact CB-CG 3.91Å; V351-L354 HydrophobicContact CG1-CD1 3.88Å; V351-L354 HydrophobicContact CG1-CD2 3.7Å; V351-L354 HydrophobicContact CG1-CG 3.57Å; V351-L354 VanDerWaalsContact O-CG 3.3Å; V351-L354 WeakPolarHBondContact O-CG 3.07Å; V351-L354 PolarHBondContact O-N 3.44Å
352	G	40.2	Very low	50	Low	73 Å²	73	97.3 Å²	97.3	75%	0.753	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	21.6	-175.7	0	0	0	0	0	113.7	N350	N350-G352 PolarHBondContact O-N 3.39Å
353	G	47	Very low	52.5	Low	40 Å²	40	95.9 Å²	95.9	41%	0.412	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	2.7	169.7	0	0	0	0	0	113	V306 V351	V306-G353 VanDerWaalsContact CG1-C 3.4Å; V306-G353 WeakPolarHBondContact CG1-O 3.31Å; V351-G353 PolarHBondContact O-N 3.04Å
354	L	54.5	Low	55.5	Low	35 Å²	35	90.8 Å²	90.8	18%	0.183	49%	0.491	C	S	.	.	S	Bend	trans	-58.9	126.8	175.4	-69.4	170.5	0	0	0	108.4	F309 L325 V351 M358	F309-L354 HydrophobicContact CD1-CD2 4.02Å; F309-L354 HydrophobicContact CE1-CD2 4.43Å; L325-L354 HydrophobicContact CD2-CD1 3.21Å; V351-L354 HydrophobicContact CB-CD1 3.75Å; V351-L354 HydrophobicContact CB-CD2 4.49Å; V351-L354 HydrophobicContact CB-CG 3.91Å; V351-L354 HydrophobicContact CG1-CD1 3.88Å; V351-L354 HydrophobicContact CG1-CD2 3.7Å; V351-L354 HydrophobicContact CG1-CG 3.57Å; V351-L354 VanDerWaalsContact O-CG 3.3Å; V351-L354 WeakPolarHBondContact O-CG 3.07Å; V351-L354 PolarHBondContact O-N 3.44Å; L354-M358 HydrophobicContact CB-CE 3.51Å; L354-M358 HydrophobicContact CB-SD 3.91Å; L354-M358 HydrophobicContact CD1-CE 4.45Å; L354-M358 HydrophobicContact CD1-SD 3.93Å; L354-M358 HydrophobicContact CD2-CE 3.3Å; L354-M358 HydrophobicContact CD2-SD 3.64Å; L354-M358 HydrophobicContact CG-CE 3.85Å; L354-M358 HydrophobicContact CG-SD 3.98Å
355	P	52.9	Low	58.7	Low	47 Å²	47	84 Å²	84	31%	0.305	45%	0.449	S	S	.	.			trans	-57.9	146.8	-176.4	23.5	-37.2	0	0	0	112.1	D357 M358	P355-D357 WeakPolarHBondContact CB-OD1 3.48Å; P355-D357 PolarHBondContact O-N 3.33Å; P355-M358 VanDerWaalsContact CD-CE 3.41Å; P355-M358 HydrophobicContact CG-CE 3.79Å; P355-M358 WeakPolarHBondContact O-CB 3.29Å; P355-M358 PolarHBondContact O-N 2.87Å; P355-M358 VanDerWaalsContact O-N 3.09Å
356	E	57.9	Low	61.8	Low	210 Å²	210	77.6 Å²	77.6	98%	0.981	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.9	-171.4	-68.9	-174.6	168.9	0	0	114.1	M358	E356-M358 VanDerWaalsContact C-N 3.33Å
357	D	57.7	Low	64.6	Low	127 Å²	127	74.4 Å²	74.4	68%	0.679	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	1.4	-179.9	59.6	-15.6	0	0	0	113.9	P355 Q359	P355-D357 WeakPolarHBondContact CB-OD1 3.48Å; P355-D357 PolarHBondContact O-N 3.33Å; D357-Q359 PolarHBondContact O-N 3.41Å
358	M	61.8	Low	67.5	Low	42 Å²	42	71.3 Å²	71.3	21%	0.207	38%	0.382	C	S	.	.			trans	-73.3	120.4	-176.8	-150.5	177.9	-67	0	0	112.5	D310 L354 P355 E356 F360	D310-M358 HydrophobicContact CB-CE 4.39Å; D310-M358 WeakPolarHBondContact OD1-CE 3.29Å; L354-M358 HydrophobicContact CB-CE 3.51Å; L354-M358 HydrophobicContact CB-SD 3.91Å; L354-M358 HydrophobicContact CD1-CE 4.45Å; L354-M358 HydrophobicContact CD1-SD 3.93Å; L354-M358 HydrophobicContact CD2-CE 3.3Å; L354-M358 HydrophobicContact CD2-SD 3.64Å; L354-M358 HydrophobicContact CG-CE 3.85Å; L354-M358 HydrophobicContact CG-SD 3.98Å; P355-M358 VanDerWaalsContact CD-CE 3.41Å; P355-M358 HydrophobicContact CG-CE 3.79Å; P355-M358 WeakPolarHBondContact O-CB 3.29Å; P355-M358 PolarHBondContact O-N 2.87Å; P355-M358 VanDerWaalsContact O-N 3.09Å; E356-M358 VanDerWaalsContact C-N 3.33Å; M358-F360 VanDerWaalsContact C-N 3.34Å; M358-F360 HydrophobicContact CG-CD2 3.46Å; M358-F360 VanDerWaalsContact CG-CD2 3.46Å; M358-F360 HydrophobicContact CG-CE2 3.62Å; M358-F360 PolarHBondContact O-N 3.19Å; M358-F360 HydrophobicContact SD-CD2 3.53Å; M358-F360 VanDerWaalsContact SD-CD2 3.53Å; M358-F360 HydrophobicContact SD-CE2 3.65Å
359	Q	72.2	Confident	70.3	Confident	189 Å²	189	63.9 Å²	63.9	88%	0.883	35%	0.347	S	S	*	.			trans	-89.5	24.6	-170.5	-60.4	-132.3	-19.8	0	0	115.2	D357	D357-Q359 PolarHBondContact O-N 3.41Å
360	F	80.5	Confident	72.8	Confident	37 Å²	37	57.6 Å²	57.6	16%	0.162	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-88.9	140.4	179.7	-59.5	-62.5	0	0	0	112.4	A313 A317 I322 S323 L325 M358	A313-F360 HydrophobicContact CB-CE2 4.48Å; A317-F360 HydrophobicContact CB-CE1 3.82Å; A317-F360 HydrophobicContact CB-CZ 3.65Å; I322-F360 HydrophobicContact CB-CE1 3.99Å; I322-F360 HydrophobicContact CG2-CD1 4.1Å; I322-F360 HydrophobicContact CG2-CE1 3.65Å; I322-F360 HydrophobicContact CG2-CZ 4.47Å; I322-F360 WeakPolarHBondContact O-CE1 3.49Å; S323-F360 WeakPolarHBondContact O-CA 3.47Å; L325-F360 HydrophobicContact CB-CB 3.84Å; L325-F360 HydrophobicContact CB-CD2 4.27Å; L325-F360 HydrophobicContact CB-CG 4.15Å; M358-F360 VanDerWaalsContact C-N 3.34Å; M358-F360 HydrophobicContact CG-CD2 3.46Å; M358-F360 VanDerWaalsContact CG-CD2 3.46Å; M358-F360 HydrophobicContact CG-CE2 3.62Å; M358-F360 PolarHBondContact O-N 3.19Å; M358-F360 HydrophobicContact SD-CD2 3.53Å; M358-F360 VanDerWaalsContact SD-CD2 3.53Å; M358-F360 HydrophobicContact SD-CE2 3.65Å
361	E	87.7	Confident	74.9	Confident	101 Å²	101	58.8 Å²	58.8	47%	0.472	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.7	162.9	-69.8	178.1	-128.3	0	0	109.6	K218 S323 F324 L325	K218-E361 IonicContact NZ-OE1 2.69Å; S323-E361 PolarHBondContact O-N 3.07Å; F324-E361 CarbonylContact C-O 3.49Å; F324-E361 WeakPolarHBondContact CA-O 3.29Å; F324-E361 HydrophobicContact CD1-CB 3.39Å; F324-E361 WeakPolarHBondContact CD1-O 3.11Å; F324-E361 HydrophobicContact CE1-CB 3.41Å; F324-E361 VanDerWaalsContact CE1-CB 3.41Å; F324-E361 HydrophobicContact CE1-CG 4.22Å; F324-E361 WeakPolarHBondContact CE1-OE2 3.33Å; F324-E361 HydrophobicContact CG-CB 4.41Å; F324-E361 HydrophobicContact CZ-CB 4.45Å; L325-E361 PolarHBondContact N-O 2.75Å
362	L	90.2	Very high	76.8	Confident	87 Å²	87	59.7 Å²	59.7	46%	0.455	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.1	-177.3	-69	173.3	0	0	0	112.6	Q214 L325	Q214-L362 PolarHBondContact NE2-O 3Å; L325-L362 HydrophobicContact CB-CD2 4.25Å; L325-L362 HydrophobicContact CD2-CD2 4.2Å; L325-L362 HydrophobicContact CG-CD2 4.44Å; L325-L362 WeakPolarHBondContact O-CA 3.41Å
363	I	92.4	Very high	79.2	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.2	171	-58.3	179	0	0	0	109.2	V215 V220 L237 F324 L325 A326 Q327 P365	V215-I363 HydrophobicContact CG2-CD1 3.4Å; V220-I363 HydrophobicContact CG1-CD1 4.23Å; V220-I363 HydrophobicContact CG2-CD1 3.99Å; L237-I363 HydrophobicContact CD2-CG2 4.44Å; F324-I363 HydrophobicContact CB-CD1 3.65Å; F324-I363 HydrophobicContact CB-CG1 4.11Å; F324-I363 HydrophobicContact CD1-CD1 3.62Å; F324-I363 HydrophobicContact CD1-CG1 3.67Å; F324-I363 HydrophobicContact CD2-CD1 4.33Å; F324-I363 HydrophobicContact CE1-CD1 4.35Å; F324-I363 HydrophobicContact CE1-CG1 4.42Å; F324-I363 HydrophobicContact CG-CD1 3.63Å; F324-I363 HydrophobicContact CG-CG1 4.13Å; L325-I363 PolarHBondContact O-N 2.82Å; A326-I363 CarbonylContact C-O 3.58Å; A326-I363 VanDerWaalsContact CA-O 3.26Å; A326-I363 WeakPolarHBondContact CA-O 3.38Å; A326-I363 HydrophobicContact CB-CB 4.47Å; Q327-I363 PolarHBondContact N-O 3.49Å; I363-P365 WeakPolarHBondContact O-CD 3.41Å
364	E	93.7	Very high	81.4	Confident	56 Å²	56	55.3 Å²	55.3	26%	0.262	27%	0.274	S	S	.	.			trans	-122.8	76.9	-177.4	-58.2	179.7	114.1	0	0	110.1	Q327 T329 L366 N367	Q327-E364 HydrophobicContact CB-CG 4.36Å; T329-E364 VanDerWaalsContact CB-OE1 3.23Å; T329-E364 WeakPolarHBondContact CB-OE1 3.39Å; T329-E364 WeakPolarHBondContact CG2-OE1 3.45Å; T329-E364 PolarHBondContact OG1-OE1 3.41Å; E364-L366 PolarHBondContact O-N 3.12Å; E364-N367 HydrophobicContact CB-CB 4.02Å; E364-N367 WeakPolarHBondContact O-CB 3.42Å; E364-N367 PolarHBondContact O-N 2.98Å; E364-N367 PolarHBondContact O-OD1 3.33Å
365	P	94.7	Very high	83.2	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.013	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.7	-167.6	30.3	-32.5	0	0	0	113.2	F203 I211 V233 L236 Q327 I363	F203-P365 WeakPolarHBondContact CZ-O 3.45Å; I211-P365 HydrophobicContact CD1-CB 4.14Å; V233-P365 HydrophobicContact CG1-CG 4.05Å; V233-P365 HydrophobicContact CG2-CG 4.03Å; L236-P365 HydrophobicContact CD2-CB 3.87Å; L236-P365 HydrophobicContact CD2-CG 4.27Å; Q327-P365 WeakPolarHBondContact O-CD 3.36Å; I363-P365 WeakPolarHBondContact O-CD 3.41Å
366	L	94.5	Very high	85	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	2.4	-179.1	-51.8	-173.5	0	0	0	113.4	D229 V232 V233 L236 T329 L330 E364 T368 L369 V374 L377	D229-L366 HydrophobicContact CB-CD1 4.46Å; V232-L366 HydrophobicContact CB-CD1 4.46Å; V232-L366 HydrophobicContact CG1-CD1 4.3Å; V232-L366 HydrophobicContact CG1-CD2 4.2Å; V233-L366 HydrophobicContact CG2-CD1 3.51Å; V233-L366 HydrophobicContact CG2-CG 3.67Å; L236-L366 HydrophobicContact CD2-CD2 4.48Å; T329-L366 CarbonylContact O-C 3.52Å; L330-L366 HydrophobicContact CD2-CB 4.09Å; L330-L366 HydrophobicContact CD2-CD1 4.36Å; E364-L366 PolarHBondContact O-N 3.12Å; L366-T368 PolarHBondContact O-N 2.74Å; L366-L369 HydrophobicContact CD2-CD1 4.29Å; L366-L369 PolarHBondContact O-N 3.31Å; L366-V374 HydrophobicContact CB-CG2 4.28Å; L366-V374 HydrophobicContact CD1-CG1 3.92Å; L366-V374 HydrophobicContact CD1-CG2 3.93Å; L366-V374 HydrophobicContact CD2-CG2 4.48Å; L366-V374 HydrophobicContact CG-CG2 4.45Å; L366-L377 HydrophobicContact CD2-CD2 3.63Å
367	N	91.4	Very high	86.8	Confident	40 Å²	40	47 Å²	47	21%	0.214	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-4.5	-172	74.5	-8.9	0	0	0	114.6	T329 Y331 V334 E364	T329-N367 VanDerWaalsContact O-CA 3.23Å; T329-N367 WeakPolarHBondContact O-CA 3.2Å; T329-N367 PolarHBondContact O-N 2.68Å; Y331-N367 WeakPolarHBondContact CA-O 3.14Å; Y331-N367 VanDerWaalsContact CD2-O 3.28Å; Y331-N367 WeakPolarHBondContact CD2-O 3.39Å; V334-N367 HydrophobicContact CG2-CB 3.9Å; E364-N367 HydrophobicContact CB-CB 4.02Å; E364-N367 WeakPolarHBondContact O-CB 3.42Å; E364-N367 PolarHBondContact O-N 2.98Å; E364-N367 PolarHBondContact O-OD1 3.33Å
368	T	89.7	Confident	88.5	Confident	24 Å²	24	41 Å²	41	15%	0.147	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	1.2	175	48.2	0	0	0	0	112.7	M1 R25 F30 L366	M1-T368 HydrophobicContact CE-CG2 3.91Å; M1-T368 WeakPolarHBondContact CE-OG1 3.3Å; M1-T368 HydrophobicContact SD-CG2 4.35Å; R25-T368 VanDerWaalsContact CZ-O 3.24Å; R25-T368 PolarHBondContact NH1-O 2.96Å; R25-T368 PolarHBondContact NH2-O 3.45Å; F30-T368 HydrophobicContact CZ-CG2 4.33Å; L366-T368 PolarHBondContact O-N 2.74Å
369	L	91.8	Very high	90	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.			trans	-110.4	146	-177.2	-62.7	-169.9	0	0	0	113.1	W198 M200 F203 Y331 L366 E373 V374 L377	W198-L369 HydrophobicContact CZ2-CD2 3.76Å; M200-L369 HydrophobicContact CE-CD2 4.24Å; M200-L369 HydrophobicContact SD-CD1 4.33Å; F203-L369 HydrophobicContact CD1-CD1 4.02Å; F203-L369 HydrophobicContact CD2-CD2 4.12Å; F203-L369 HydrophobicContact CE1-CD1 3.46Å; F203-L369 VanDerWaalsContact CE1-CD1 3.46Å; F203-L369 HydrophobicContact CE1-CD2 4.29Å; F203-L369 HydrophobicContact CE1-CG 3.98Å; F203-L369 HydrophobicContact CE2-CD1 4.39Å; F203-L369 HydrophobicContact CE2-CD2 3.75Å; F203-L369 HydrophobicContact CE2-CG 4.04Å; F203-L369 HydrophobicContact CG-CD2 4.49Å; F203-L369 HydrophobicContact CZ-CD1 3.66Å; F203-L369 HydrophobicContact CZ-CD2 3.84Å; F203-L369 HydrophobicContact CZ-CG 3.61Å; Y331-L369 VanDerWaalsContact CB-O 3.28Å; Y331-L369 WeakPolarHBondContact CB-O 3.22Å; Y331-L369 PolarHBondContact N-O 3.39Å; L366-L369 HydrophobicContact CD2-CD1 4.29Å; L366-L369 PolarHBondContact O-N 3.31Å; L369-E373 HydrophobicContact CB-CB 4.13Å; L369-E373 HydrophobicContact CD1-CB 4.41Å; L369-E373 HydrophobicContact CD2-CB 4.15Å; L369-E373 HydrophobicContact CG-CB 4.47Å; L369-V374 HydrophobicContact CB-CG2 3.84Å; L369-V374 HydrophobicContact CD1-CG2 4.2Å; L369-L377 HydrophobicContact CD1-CD2 3.74Å
370	F	88.3	Confident	91.1	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.018	18%	0.176	C	C	.	.			trans	-81.4	165.9	164.9	-68.4	-77.3	0	0	0	111.6	Q18 T21 R22 Y331 T332 D372 E373 V374	Q18-F370 HydrophobicContact CB-CE1 4.34Å; T21-F370 HydrophobicContact CG2-CE2 3.88Å; T21-F370 HydrophobicContact CG2-CZ 3.92Å; R22-F370 HydrophobicContact CG-CB 4.43Å; R22-F370 HydrophobicContact CG-CD1 3.83Å; R22-F370 HydrophobicContact CG-CD2 3.49Å; R22-F370 VanDerWaalsContact CG-CD2 3.49Å; R22-F370 HydrophobicContact CG-CE1 3.85Å; R22-F370 HydrophobicContact CG-CE2 3.5Å; R22-F370 HydrophobicContact CG-CG 3.65Å; R22-F370 HydrophobicContact CG-CZ 3.69Å; Y331-F370 HydrophobicContact CD1-CD2 4.4Å; Y331-F370 HydrophobicContact CD1-CE1 4.03Å; Y331-F370 AromaticContact CD1-CE2 3.78Å; Y331-F370 HydrophobicContact CD1-CE2 3.78Å; Y331-F370 AromaticContact CD1-CZ 3.57Å; Y331-F370 HydrophobicContact CD1-CZ 3.57Å; Y331-F370 HydrophobicContact CE1-CE2 4.25Å; Y331-F370 AromaticContact CE1-CZ 3.98Å; Y331-F370 HydrophobicContact CE1-CZ 3.98Å; T332-F370 HydrophobicContact CG2-CD1 3.9Å; T332-F370 HydrophobicContact CG2-CE1 4.13Å; F370-D372 VanDerWaalsContact C-N 3.3Å; F370-D372 WeakPolarHBondContact CB-OD1 3.39Å; F370-D372 PolarHBondContact O-N 3.17Å; F370-E373 WeakPolarHBondContact CD2-OE2 3.37Å; F370-E373 PolarHBondContact N-OE2 3.36Å; F370-E373 WeakPolarHBondContact O-CB 3.44Å; F370-E373 PolarHBondContact O-N 3.43Å; F370-E373 VanDerWaalsContact O-N 3.14Å; F370-V374 WeakPolarHBondContact O-CG2 3.46Å; F370-V374 PolarHBondContact O-N 3.38Å
371	K	87.2	Confident	91.7	Very high	80 Å²	80	35.2 Å²	35.2	35%	0.348	17%	0.172	S	C	.	.	H	α-helix	trans	-60.4	-36.6	-175	-170.2	67.1	168.6	-174.1	0	113.9	D229 L330 R375	D229-K371 WeakPolarHBondContact OD1-CD 3.26Å; D229-K371 IonicContact OD1-NZ 3.78Å; D229-K371 PolarHBondContact OD1-NZ 2.75Å; D229-K371 IonicContact OD2-NZ 3Å; D229-K371 PolarHBondContact OD2-NZ 3.34Å; L330-K371 HydrophobicContact CD1-CB 4.42Å; L330-K371 HydrophobicContact CD1-CD 3.71Å; K371-R375 WeakPolarHBondContact O-CG 3.34Å; K371-R375 PolarHBondContact O-N 3.24Å
372	D	86	Confident	91.9	Very high	57 Å²	57	32.4 Å²	32.4	31%	0.305	17%	0.171	S	C	.	.	H	α-helix	trans	-66.6	-44.2	174.4	45.2	-1.9	0	0	0	111.8	R22 F370 V374 R375 E376	R22-D372 IonicContact CZ-OD2 3.66Å; R22-D372 IonicContact NE-OD2 2.65Å; R22-D372 PolarHBondContact NE-OD2 3.07Å; R22-D372 IonicContact NH2-OD2 2.75Å; R22-D372 PolarHBondContact NH2-OD2 3.44Å; F370-D372 VanDerWaalsContact C-N 3.3Å; F370-D372 WeakPolarHBondContact CB-OD1 3.39Å; F370-D372 PolarHBondContact O-N 3.17Å; D372-V374 VanDerWaalsContact C-N 3.33Å; D372-V374 PolarHBondContact O-N 3.11Å; D372-R375 WeakPolarHBondContact O-CB 3.46Å; D372-R375 PolarHBondContact O-N 3.26Å; D372-R375 VanDerWaalsContact O-N 3.16Å; D372-E376 PolarHBondContact O-N 2.91Å
373	E	91	Very high	91.9	Very high	20 Å²	20	28.5 Å²	28.5	9%	0.093	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-38.1	173.7	-66.4	177.9	109.7	0	0	112	R25 W198 M200 L369 F370 R375 E376 L377	R25-E373 WeakPolarHBondContact CD-OE1 3.1Å; R25-E373 WeakPolarHBondContact CD-OE2 3.41Å; R25-E373 IonicContact CZ-OE2 3.66Å; R25-E373 IonicContact NH1-OE1 3.68Å; R25-E373 IonicContact NH1-OE2 2.68Å; R25-E373 PolarHBondContact NH1-OE2 3.46Å; W198-E373 PolarHBondContact NE1-OE1 2.83Å; M200-E373 HydrophobicContact CE-CB 4.18Å; M200-E373 HydrophobicContact CE-CG 4.24Å; M200-E373 HydrophobicContact SD-CB 4.16Å; L369-E373 HydrophobicContact CB-CB 4.13Å; L369-E373 HydrophobicContact CD1-CB 4.41Å; L369-E373 HydrophobicContact CD2-CB 4.15Å; L369-E373 HydrophobicContact CG-CB 4.47Å; F370-E373 WeakPolarHBondContact CD2-OE2 3.37Å; F370-E373 PolarHBondContact N-OE2 3.36Å; F370-E373 WeakPolarHBondContact O-CB 3.44Å; F370-E373 PolarHBondContact O-N 3.43Å; F370-E373 VanDerWaalsContact O-N 3.14Å; E373-R375 VanDerWaalsContact C-N 3.28Å; E373-R375 PolarHBondContact O-N 3.07Å; E373-E376 PolarHBondContact O-N 3.38Å; E373-L377 VanDerWaalsContact O-CB 3.25Å; E373-L377 WeakPolarHBondContact O-CB 3.47Å; E373-L377 PolarHBondContact O-N 2.89Å
374	V	93.1	Very high	91.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-36.6	174.4	171.4	0	0	0	0	111.9	V232 L330 L366 L369 F370 D372 G378	V232-V374 HydrophobicContact CB-CG1 4.06Å; V232-V374 HydrophobicContact CG1-CG1 4.16Å; V232-V374 HydrophobicContact CG2-CG1 3.99Å; L330-V374 HydrophobicContact CD2-CG2 3.62Å; L366-V374 HydrophobicContact CB-CG2 4.28Å; L366-V374 HydrophobicContact CD1-CG1 3.92Å; L366-V374 HydrophobicContact CD1-CG2 3.93Å; L366-V374 HydrophobicContact CD2-CG2 4.48Å; L366-V374 HydrophobicContact CG-CG2 4.45Å; L369-V374 HydrophobicContact CB-CG2 3.84Å; L369-V374 HydrophobicContact CD1-CG2 4.2Å; F370-V374 WeakPolarHBondContact O-CG2 3.46Å; F370-V374 PolarHBondContact O-N 3.38Å; D372-V374 VanDerWaalsContact C-N 3.33Å; D372-V374 PolarHBondContact O-N 3.11Å; V374-G378 PolarHBondContact O-N 2.95Å
375	R	91.7	Very high	91.3	Very high	41 Å²	41	31.9 Å²	31.9	16%	0.155	17%	0.172	C	C	.	.	H	α-helix	trans	-66.8	-48	174.6	-71.8	-178.8	169.9	-167.8	-6.8	111	V228 K371 D372 E373 L377 G378 T379 V388 W389 R390	V228-R375 HydrophobicContact CG2-CG 4.26Å; K371-R375 WeakPolarHBondContact O-CG 3.34Å; K371-R375 PolarHBondContact O-N 3.24Å; D372-R375 WeakPolarHBondContact O-CB 3.46Å; D372-R375 PolarHBondContact O-N 3.26Å; D372-R375 VanDerWaalsContact O-N 3.16Å; E373-R375 VanDerWaalsContact C-N 3.28Å; E373-R375 PolarHBondContact O-N 3.07Å; R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 3.41Å; R375-G378 PolarHBondContact O-N 3.49Å; R375-G378 VanDerWaalsContact O-N 3.1Å; R375-T379 PolarHBondContact O-N 3.03Å; R375-T379 PolarHBondContact O-OG1 3.35Å; R375-V388 HydrophobicContact CB-CG1 3.79Å; R375-V388 HydrophobicContact CG-CG1 4.26Å; R375-V388 WeakPolarHBondContact O-CG1 3.43Å; R375-W389 HydrophobicContact CB-CE3 4.5Å; R375-W389 HydrophobicContact CB-CH2 4.24Å; R375-W389 HydrophobicContact CB-CZ3 4.22Å; R375-R390 PolarHBondContact NH2-O 3.26Å; R375-R390 VanDerWaalsContact NH2-O 3.15Å
376	E	91.9	Very high	90.7	Very high	77 Å²	77	36.2 Å²	36.2	36%	0.36	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-42.2	176.3	-173.8	55.9	-148.3	0	0	111.7	M200 D372 E373 G378 T379 Q380	M200-E376 HydrophobicContact CB-CG 4.41Å; M200-E376 HydrophobicContact CG-CB 4.03Å; M200-E376 HydrophobicContact CG-CG 3.71Å; D372-E376 PolarHBondContact O-N 2.91Å; E373-E376 PolarHBondContact O-N 3.38Å; E376-G378 VanDerWaalsContact C-N 3.31Å; E376-G378 PolarHBondContact O-N 3.26Å; E376-T379 WeakPolarHBondContact O-CB 3.38Å; E376-T379 PolarHBondContact O-N 3.34Å; E376-T379 VanDerWaalsContact O-N 3.12Å; E376-Q380 WeakPolarHBondContact O-CG 3.39Å; E376-Q380 PolarHBondContact O-N 3.19Å; E376-Q380 PolarHBondContact OE1-NE2 3.22Å
377	L	94.8	Very high	90.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.5	-44.7	173.8	-177.2	66.8	0	0	0	111.7	M200 F203 I204 V232 L366 L369 E373 R375 T379 Q380 L381	M200-L377 HydrophobicContact CB-CD1 4.49Å; M200-L377 HydrophobicContact SD-CB 4.1Å; M200-L377 HydrophobicContact SD-CD1 4.41Å; F203-L377 HydrophobicContact CD1-CD1 3.89Å; F203-L377 HydrophobicContact CD1-CD2 4.21Å; F203-L377 HydrophobicContact CE1-CD1 4.46Å; F203-L377 HydrophobicContact CE1-CD2 3.96Å; I204-L377 HydrophobicContact CD1-CD1 3.8Å; I204-L377 HydrophobicContact CG1-CD1 3.25Å; V232-L377 HydrophobicContact CG1-CB 4.35Å; V232-L377 HydrophobicContact CG1-CD2 3.59Å; V232-L377 HydrophobicContact CG1-CG 3.92Å; L366-L377 HydrophobicContact CD2-CD2 3.63Å; L369-L377 HydrophobicContact CD1-CD2 3.74Å; E373-L377 VanDerWaalsContact O-CB 3.25Å; E373-L377 WeakPolarHBondContact O-CB 3.47Å; E373-L377 PolarHBondContact O-N 2.89Å; R375-L377 VanDerWaalsContact C-N 3.29Å; R375-L377 PolarHBondContact O-N 3.41Å; L377-T379 VanDerWaalsContact C-N 3.35Å; L377-T379 PolarHBondContact O-N 3.32Å; L377-Q380 PolarHBondContact O-N 3.09Å; L377-L381 HydrophobicContact CG-CD1 4.1Å; L377-L381 WeakPolarHBondContact O-CB 3.34Å; L377-L381 VanDerWaalsContact O-CG 3.28Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.05Å
378	G	94.3	Very high	90.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-44.7	174.8	0	0	0	0	0	112.6	V374 R375 E376 L381 G382 M383	V374-G378 PolarHBondContact O-N 2.95Å; R375-G378 PolarHBondContact O-N 3.49Å; R375-G378 VanDerWaalsContact O-N 3.1Å; E376-G378 VanDerWaalsContact C-N 3.31Å; E376-G378 PolarHBondContact O-N 3.26Å; G378-L381 PolarHBondContact O-N 3.05Å; G378-G382 PolarHBondContact O-N 3.06Å; G378-M383 WeakPolarHBondContact O-CB 3.39Å; G378-M383 WeakPolarHBondContact O-CG 3.38Å; G378-M383 PolarHBondContact O-N 3.32Å
379	T	93.9	Very high	89.9	Confident	45 Å²	45	37.6 Å²	37.6	28%	0.276	20%	0.203	S	C	.	.	H	α-helix	trans	-58.8	-48.1	175.4	-53.1	0	0	0	0	111.3	R375 E376 L377 L381 G382	R375-T379 PolarHBondContact O-N 3.03Å; R375-T379 PolarHBondContact O-OG1 3.35Å; E376-T379 WeakPolarHBondContact O-CB 3.38Å; E376-T379 PolarHBondContact O-N 3.34Å; E376-T379 VanDerWaalsContact O-N 3.12Å; L377-T379 VanDerWaalsContact C-N 3.35Å; L377-T379 PolarHBondContact O-N 3.32Å; T379-L381 VanDerWaalsContact C-N 3.29Å; T379-L381 PolarHBondContact O-N 3.46Å; T379-G382 WeakPolarHBondContact O-CA 3.28Å; T379-G382 PolarHBondContact O-N 3.09Å
380	Q	94.1	Very high	89.6	Confident	84 Å²	84	39.2 Å²	39.2	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-66.5	-29.3	179.4	-63.7	-53.8	-25.6	0	0	113.1	M200 I204 E376 L377 G382	M200-Q380 HydrophobicContact CB-CG 3.97Å; I204-Q380 HydrophobicContact CD1-CB 3.83Å; E376-Q380 WeakPolarHBondContact O-CG 3.39Å; E376-Q380 PolarHBondContact O-N 3.19Å; E376-Q380 PolarHBondContact OE1-NE2 3.22Å; L377-Q380 PolarHBondContact O-N 3.09Å; Q380-G382 PolarHBondContact O-N 3.01Å
381	L	93.6	Very high	89.5	Confident	18 Å²	18	40 Å²	40	9%	0.094	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-2.9	170.6	-70.9	169.7	0	0	0	113.3	I204 V232 V235 L236 K239 L377 G378 T379	I204-L381 HydrophobicContact CD1-CD2 3.9Å; I204-L381 HydrophobicContact CD1-CG 4.02Å; I204-L381 HydrophobicContact CG1-CD2 4.12Å; I204-L381 HydrophobicContact CG1-CG 4.42Å; I204-L381 HydrophobicContact CG2-CD2 4.18Å; V232-L381 HydrophobicContact CG1-CD1 4.2Å; V235-L381 HydrophobicContact CB-CD1 4.4Å; V235-L381 HydrophobicContact CG1-CB 3.84Å; V235-L381 HydrophobicContact CG1-CD1 4.16Å; V235-L381 HydrophobicContact CG1-CG 4.4Å; L236-L381 HydrophobicContact CB-CD1 4.13Å; L236-L381 HydrophobicContact CD1-CD2 4.45Å; K239-L381 HydrophobicContact CD-CD2 3.81Å; L377-L381 HydrophobicContact CG-CD1 4.1Å; L377-L381 WeakPolarHBondContact O-CB 3.34Å; L377-L381 VanDerWaalsContact O-CG 3.28Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.05Å; G378-L381 PolarHBondContact O-N 3.05Å; T379-L381 VanDerWaalsContact C-N 3.29Å; T379-L381 PolarHBondContact O-N 3.46Å
382	G	91.4	Very high	89.4	Confident	42 Å²	42	38.3 Å²	38.3	43%	0.433	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	13.4	178.2	0	0	0	0	0	114.3	F271 G378 T379 Q380	F271-G382 WeakPolarHBondContact CZ-O 3.39Å; G378-G382 PolarHBondContact O-N 3.06Å; T379-G382 WeakPolarHBondContact O-CA 3.28Å; T379-G382 PolarHBondContact O-N 3.09Å; Q380-G382 PolarHBondContact O-N 3.01Å
383	M	91.1	Very high	89.6	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.03	21%	0.205	C	C	.	.			trans	-63.6	141.2	176.5	-63.9	176.9	63.3	0	0	110.5	V232 V235 F271 G378 I387 V388	V232-M383 HydrophobicContact CB-SD 4.41Å; V232-M383 HydrophobicContact CG2-CE 4.14Å; V232-M383 HydrophobicContact CG2-SD 3.69Å; V235-M383 HydrophobicContact CB-CG 4.46Å; V235-M383 HydrophobicContact CB-SD 4.18Å; V235-M383 HydrophobicContact CG1-CG 4.35Å; V235-M383 HydrophobicContact CG2-CE 4.43Å; V235-M383 HydrophobicContact CG2-CG 4.01Å; V235-M383 HydrophobicContact CG2-SD 3.89Å; F271-M383 HydrophobicContact CE1-CG 4.47Å; F271-M383 HydrophobicContact CE2-CB 4.46Å; F271-M383 HydrophobicContact CE2-CG 4.03Å; F271-M383 HydrophobicContact CZ-CB 4.25Å; F271-M383 HydrophobicContact CZ-CG 3.81Å; G378-M383 WeakPolarHBondContact O-CB 3.39Å; G378-M383 WeakPolarHBondContact O-CG 3.38Å; G378-M383 PolarHBondContact O-N 3.32Å; M383-I387 HydrophobicContact CE-CB 4.45Å; M383-I387 HydrophobicContact CE-CG2 3.57Å; M383-V388 HydrophobicContact CB-CG2 3.52Å
384	P	86.4	Confident	89.6	Confident	35 Å²	35	38 Å²	38	23%	0.227	21%	0.208	C	C	.	.			trans	-66.5	142.9	177.8	29.1	-34.3	0	0	0	110.7	S386 I387 V388	P384-S386 PolarHBondContact O-N 2.83Å; P384-S386 VanDerWaalsContact O-N 3.07Å; P384-I387 HydrophobicContact CG-CB 4.3Å; P384-I387 HydrophobicContact CG-CD1 3.77Å; P384-I387 HydrophobicContact CG-CG1 3.96Å; P384-I387 PolarHBondContact O-N 3.05Å; P384-V388 PolarHBondContact O-N 2.81Å
385	D	86.5	Confident	89.3	Confident	95 Å²	95	40.5 Å²	40.5	51%	0.508	23%	0.234	S	C	.	.	H	α-helix	trans	-51.9	-34	177.8	-80.7	15.5	0	0	0	113	I387 V388 W389	D385-I387 PolarHBondContact O-N 2.9Å; D385-I387 VanDerWaalsContact O-N 3.14Å; D385-V388 PolarHBondContact O-N 3.16Å; D385-W389 WeakPolarHBondContact O-CB 3.03Å; D385-W389 PolarHBondContact O-N 3.08Å
386	S	82.1	Confident	89.3	Confident	92 Å²	92	39.5 Å²	39.5	64%	0.643	23%	0.233	S	C	*	.	H	α-helix	trans	-60.8	-21.3	177.7	58.2	0	0	0	0	114.3	P384	P384-S386 PolarHBondContact O-N 2.83Å; P384-S386 VanDerWaalsContact O-N 3.07Å
387	I	84.2	Confident	89.4	Confident	21 Å²	21	35.8 Å²	35.8	11%	0.108	22%	0.216	C	C	.	.	H	α-helix	trans	-99.3	-46	175.6	-64.5	179.9	0	0	0	110.7	A266 M383 P384 D385 R390	A266-I387 HydrophobicContact CB-CD1 3.2Å; M383-I387 HydrophobicContact CE-CB 4.45Å; M383-I387 HydrophobicContact CE-CG2 3.57Å; P384-I387 HydrophobicContact CG-CB 4.3Å; P384-I387 HydrophobicContact CG-CD1 3.77Å; P384-I387 HydrophobicContact CG-CG1 3.96Å; P384-I387 PolarHBondContact O-N 3.05Å; D385-I387 PolarHBondContact O-N 2.9Å; D385-I387 VanDerWaalsContact O-N 3.14Å; I387-R390 VanDerWaalsContact O-CB 3.22Å; I387-R390 WeakPolarHBondContact O-CB 3.21Å; I387-R390 PolarHBondContact O-N 2.81Å
388	V	88.9	Confident	89.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-47.4	-177.5	175.4	0	0	0	0	111.3	R375 M383 P384 D385 R390	R375-V388 HydrophobicContact CB-CG1 3.79Å; R375-V388 HydrophobicContact CG-CG1 4.26Å; R375-V388 WeakPolarHBondContact O-CG1 3.43Å; M383-V388 HydrophobicContact CB-CG2 3.52Å; P384-V388 PolarHBondContact O-N 2.81Å; D385-V388 PolarHBondContact O-N 3.16Å; V388-R390 VanDerWaalsContact C-N 3.3Å
389	W	86.2	Confident	89.6	Confident	73 Å²	73	35.8 Å²	35.8	28%	0.277	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.7	-176.1	-59.7	109.5	0	0	0	113.1	R375 D385 Q391 R432	R375-W389 HydrophobicContact CB-CE3 4.5Å; R375-W389 HydrophobicContact CB-CH2 4.24Å; R375-W389 HydrophobicContact CB-CZ3 4.22Å; D385-W389 WeakPolarHBondContact O-CB 3.03Å; D385-W389 PolarHBondContact O-N 3.08Å; W389-Q391 PolarHBondContact O-N 2.95Å; W389-R432 VanDerWaalsContact CD2-CZ 3.47Å
390	R	84.9	Confident	89.7	Confident	34 Å²	34	33.7 Å²	33.7	13%	0.128	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-56.5	138.5	174.4	-166	175.2	-150.9	-159.1	0.3	110.5	G226 R256 E259 R375 I387 V388	G226-R390 PolarHBondContact O-NH1 3.45Å; R256-R390 VanDerWaalsContact NH2-NE 3.19Å; E259-R390 VanDerWaalsContact CD-NH2 3.3Å; E259-R390 IonicContact OE1-CZ 3.67Å; E259-R390 IonicContact OE1-NH1 3.63Å; E259-R390 PolarHBondContact OE1-NH1 3.27Å; E259-R390 IonicContact OE1-NH2 3.71Å; E259-R390 PolarHBondContact OE1-NH2 2.98Å; E259-R390 VanDerWaalsContact OE1-NH2 3.08Å; E259-R390 IonicContact OE2-NH2 3.73Å; R375-R390 PolarHBondContact NH2-O 3.26Å; R375-R390 VanDerWaalsContact NH2-O 3.15Å; I387-R390 VanDerWaalsContact O-CB 3.22Å; I387-R390 WeakPolarHBondContact O-CB 3.21Å; I387-R390 PolarHBondContact O-N 2.81Å; V388-R390 VanDerWaalsContact C-N 3.3Å
391	Q	87.4	Confident	89.9	Confident	21 Å²	21	29.9 Å²	29.9	10%	0.098	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-59.7	148	174.6	-14.7	174.1	17.7	0	0	111	W389 F393 Y437	W389-Q391 PolarHBondContact O-N 2.95Å; Q391-F393 PolarHBondContact O-N 2.82Å; Q391-Y437 VanDerWaalsContact CD-CE1 3.46Å; Q391-Y437 HydrophobicContact CG-CE1 4.1Å; Q391-Y437 PolarHBondContact NE2-OH 2.88Å; Q391-Y437 PolarHBondContact OE1-O 3.3Å
392	P	85.2	Confident	90.2	Very high	44 Å²	44	29 Å²	29	29%	0.286	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-52.5	135.6	169.1	-22.9	33.2	0	0	0	111.6	W435 Q436	P392-W435 HydrophobicContact CG-CH2 4.36Å; P392-W435 HydrophobicContact CG-CZ2 3.95Å; P392-Q436 PolarHBondContact O-NE2 3.19Å; P392-Q436 VanDerWaalsContact O-NE2 3.07Å
393	F	89.4	Confident	90.4	Very high	46 Å²	46	29 Å²	29	20%	0.202	17%	0.17	C	C	.	.			trans	-126.2	127.2	174.3	-170.9	-113.3	0	0	0	108.7	L255 R256 Q391 G397 L398	L255-F393 HydrophobicContact CD2-CE1 4.01Å; R256-F393 HydrophobicContact CG-CD2 4.2Å; R256-F393 HydrophobicContact CG-CE2 3.67Å; R256-F393 HydrophobicContact CG-CZ 4.04Å; R256-F393 VanDerWaalsContact NH2-CB 3.33Å; Q391-F393 PolarHBondContact O-N 2.82Å; F393-G397 VanDerWaalsContact CE1-CA 3.43Å; F393-L398 HydrophobicContact CE2-CD2 4.13Å; F393-L398 HydrophobicContact CZ-CD2 4.2Å; F393-L398 HydrophobicContact CZ-CG 4.38Å
394	P	89.9	Confident	90.7	Very high	23 Å²	23	29.6 Å²	29.6	15%	0.149	18%	0.178	C	C	.	.			trans	-66	147.1	-175.2	27.6	-35.4	0	0	0	110.8	G397 I400	P394-G397 VanDerWaalsContact O-CA 3.26Å; P394-G397 WeakPolarHBondContact O-CA 3.18Å; P394-G397 PolarHBondContact O-N 3.3Å; P394-I400 HydrophobicContact CB-CD1 3.62Å; P394-I400 HydrophobicContact CB-CG1 4.35Å; P394-I400 HydrophobicContact CG-CD1 3.74Å; P394-I400 HydrophobicContact CG-CG1 4.06Å
395	G	86.9	Confident	91.2	Very high	54 Å²	54	31.5 Å²	31.5	56%	0.557	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-44.1	176.2	0	0	0	0	0	113.7	G397	G395-G397 PolarHBondContact O-N 2.94Å; G395-G397 VanDerWaalsContact O-N 3.1Å
396	P	92.1	Very high	91.7	Very high	19 Å²	19	27.4 Å²	27.4	12%	0.123	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-6.9	170.3	-26.3	36.3	0	0	0	115.7	R298 I301 L398 G399 I400	R298-P396 HydrophobicContact CG-CG 4.14Å; I301-P396 HydrophobicContact CD1-CB 3.84Å; P396-L398 PolarHBondContact O-N 2.79Å; P396-G399 WeakPolarHBondContact O-CA 3.38Å; P396-G399 PolarHBondContact O-N 3Å; P396-I400 HydrophobicContact CB-CG1 4.49Å; P396-I400 HydrophobicContact CB-CG2 3.87Å; P396-I400 HydrophobicContact CG-CG2 4.38Å
397	G	94.2	Very high	92.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	54	-132.9	-179.8	0	0	0	0	0	113.5	L254 F393 P394 G395 G399 I400	L254-G397 CarbonylContact O-C 3.52Å; L254-G397 WeakPolarHBondContact O-CA 3.5Å; F393-G397 VanDerWaalsContact CE1-CA 3.43Å; P394-G397 VanDerWaalsContact O-CA 3.26Å; P394-G397 WeakPolarHBondContact O-CA 3.18Å; P394-G397 PolarHBondContact O-N 3.3Å; G395-G397 PolarHBondContact O-N 2.94Å; G395-G397 VanDerWaalsContact O-N 3.1Å; G397-G399 PolarHBondContact O-N 2.69Å; G397-G399 VanDerWaalsContact O-N 3.14Å; G397-I400 WeakPolarHBondContact O-CG1 3.31Å
398	L	97.3	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-65.6	-11.3	177.2	-58.3	-172.6	0	0	0	113.3	L254 L255 F393 P396 I400 R401 V402 L411 V414 R415	L254-L398 HydrophobicContact CB-CB 4.43Å; L254-L398 WeakPolarHBondContact O-CG 3.26Å; L254-L398 PolarHBondContact O-N 3.44Å; L255-L398 VanDerWaalsContact O-CD1 3.32Å; L255-L398 WeakPolarHBondContact O-CD1 3.48Å; F393-L398 HydrophobicContact CE2-CD2 4.13Å; F393-L398 HydrophobicContact CZ-CD2 4.2Å; F393-L398 HydrophobicContact CZ-CG 4.38Å; P396-L398 PolarHBondContact O-N 2.79Å; L398-I400 PolarHBondContact O-N 3.02Å; L398-I400 VanDerWaalsContact O-N 3.17Å; L398-R401 PolarHBondContact O-N 3.23Å; L398-V402 PolarHBondContact O-N 2.92Å; L398-V402 VanDerWaalsContact O-N 3.11Å; L398-L411 HydrophobicContact CB-CD2 3.66Å; L398-L411 HydrophobicContact CD1-CD2 4.25Å; L398-V414 HydrophobicContact CD1-CG1 4.3Å; L398-V414 HydrophobicContact CD2-CG1 3.79Å; L398-R415 HydrophobicContact CD1-CG 3.46Å; L398-R415 VanDerWaalsContact CD1-CG 3.46Å
399	G	96.8	Very high	93.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-62.8	-21.4	179.5	0	0	0	0	0	114.5	K297 P396 G397 I406	K297-G399 WeakPolarHBondContact CE-O 3.35Å; K297-G399 PolarHBondContact NZ-O 3.45Å; P396-G399 WeakPolarHBondContact O-CA 3.38Å; P396-G399 PolarHBondContact O-N 3Å; G397-G399 PolarHBondContact O-N 2.69Å; G397-G399 VanDerWaalsContact O-N 3.14Å; G399-I406 VanDerWaalsContact CA-CD1 3.47Å
400	I	96.3	Very high	93.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-106.2	6.3	173	62.1	165.1	0	0	0	113	R298 P394 P396 G397 L398 E513 E515	R298-I400 HydrophobicContact CG-CG2 4.1Å; R298-I400 VanDerWaalsContact NH2-CD1 3.29Å; P394-I400 HydrophobicContact CB-CD1 3.62Å; P394-I400 HydrophobicContact CB-CG1 4.35Å; P394-I400 HydrophobicContact CG-CD1 3.74Å; P394-I400 HydrophobicContact CG-CG1 4.06Å; P396-I400 HydrophobicContact CB-CG1 4.49Å; P396-I400 HydrophobicContact CB-CG2 3.87Å; P396-I400 HydrophobicContact CG-CG2 4.38Å; G397-I400 WeakPolarHBondContact O-CG1 3.31Å; L398-I400 PolarHBondContact O-N 3.02Å; L398-I400 VanDerWaalsContact O-N 3.17Å; I400-E513 HydrophobicContact CD1-CB 4.1Å; I400-E513 HydrophobicContact CD1-CG 3.91Å; I400-E515 HydrophobicContact CB-CB 4.16Å
401	R	98	Very high	94.4	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.015	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-6.4	175.2	-62.3	-174.3	177.6	172	-0.8	112.7	L398 V414 F438 V440 L441 E513	L398-R401 PolarHBondContact O-N 3.23Å; R401-V414 HydrophobicContact CB-CG1 4.38Å; R401-F438 HydrophobicContact CG-CD2 4.28Å; R401-F438 VanDerWaalsContact NH2-CD1 3.33Å; R401-V440 CarbonylContact O-C 3.56Å; R401-V440 WeakPolarHBondContact O-CA 3.43Å; R401-V440 WeakPolarHBondContact O-CG2 3.21Å; R401-L441 PolarHBondContact O-N 2.82Å; R401-E513 IonicContact CZ-OE1 3.71Å; R401-E513 IonicContact CZ-OE2 3.53Å; R401-E513 IonicContact NE-OE1 3.86Å; R401-E513 IonicContact NE-OE2 2.7Å; R401-E513 PolarHBondContact NE-OE2 3.35Å; R401-E513 VanDerWaalsContact NE-OE2 3.1Å; R401-E513 IonicContact NH2-OE1 2.79Å; R401-E513 PolarHBondContact NH2-OE1 3.23Å; R401-E513 IonicContact NH2-OE2 3.79Å
402	V	98.3	Very high	94.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-105.3	108	164.9	177.5	0	0	0	0	107.3	K297 L398 I406 K410 L411 V414	K297-V402 PolarHBondContact NZ-O 2.92Å; L398-V402 PolarHBondContact O-N 2.92Å; L398-V402 VanDerWaalsContact O-N 3.11Å; V402-I406 HydrophobicContact CB-CG1 4.43Å; V402-K410 HydrophobicContact CG1-CB 3.77Å; V402-K410 HydrophobicContact CG1-CD 3.63Å; V402-K410 HydrophobicContact CG1-CG 4.33Å; V402-K410 HydrophobicContact CG2-CB 4.34Å; V402-L411 HydrophobicContact CG2-CD2 4.21Å; V402-V414 HydrophobicContact CG2-CG2 3.78Å
403	L	97.6	Very high	95.5	Very high	42 Å²	42	29.7 Å²	29.7	22%	0.22	17%	0.165	C	C	.	.			trans	-70.5	136.8	-180	-84.4	67.4	0	0	0	110.3	V440 L441 W514 E515	L403-V440 HydrophobicContact CD1-CG2 3.34Å; L403-L441 PolarHBondContact N-O 2.91Å; L403-W514 HydrophobicContact CD1-CB 4.05Å; L403-W514 HydrophobicContact CD1-CE3 4.11Å; L403-W514 HydrophobicContact CD2-CE3 4.05Å; L403-E515 WeakPolarHBondContact CA-OE1 3.35Å; L403-E515 HydrophobicContact CD1-CG 4.49Å; L403-E515 HydrophobicContact CG-CG 4.11Å
404	G	95.9	Very high	95.9	Very high	18 Å²	18	27.5 Å²	27.5	19%	0.186	16%	0.155	C	C	.	.	S	Bend	trans	71.2	-145.1	-173.5	0	0	0	0	0	113.1	K297 E515	K297-G404 PolarHBondContact NZ-O 3.18Å; G404-E515 PolarHBondContact N-OE1 2.99Å
405	E	96.3	Very high	96.3	Very high	74 Å²	74	27.6 Å²	27.6	35%	0.346	15%	0.153	S	C	.	.	S	Bend	trans	-64.4	132	-176.5	-177.9	-179.1	-156.1	0	0	112.7	G290 V291 S292 T407 K410	G290-E405 WeakPolarHBondContact CA-OE1 3.21Å; G290-E405 PolarHBondContact N-OE1 2.66Å; V291-E405 WeakPolarHBondContact O-CA 3.48Å; S292-E405 PolarHBondContact OG-N 2.78Å; E405-T407 HydrophobicContact CG-CG2 4.38Å; E405-K410 WeakPolarHBondContact O-CD 3.3Å; E405-K410 PolarHBondContact O-NZ 2.97Å
406	I	97	Very high	96.9	Very high	9 Å²	9	27.2 Å²	27.2	5%	0.046	14%	0.136	C	C	.	.			trans	-86.3	128.7	176.9	-59.3	164.7	0	0	0	109.5	L254 L285 L288 K297 G399 V402 L411	L254-I406 HydrophobicContact CD2-CG2 4.14Å; L285-I406 HydrophobicContact CD2-CG2 4.25Å; L288-I406 HydrophobicContact CB-CD1 4.43Å; L288-I406 HydrophobicContact CD1-CD1 3.87Å; L288-I406 HydrophobicContact CD2-CD1 4.22Å; L288-I406 HydrophobicContact CG-CD1 4.41Å; K297-I406 HydrophobicContact CD-CD1 3.74Å; K297-I406 HydrophobicContact CD-CG1 4.1Å; G399-I406 VanDerWaalsContact CA-CD1 3.47Å; V402-I406 HydrophobicContact CB-CG1 4.43Å; I406-L411 HydrophobicContact CG2-CD1 3.56Å; I406-L411 HydrophobicContact CG2-CD2 3.9Å; I406-L411 HydrophobicContact CG2-CG 3.67Å
407	T	96.2	Very high	97.2	Very high	46 Å²	46	26.3 Å²	26.3	28%	0.282	13%	0.131	S	C	.	.			trans	-133.4	158.6	171.5	68.1	0	0	0	0	109.7	E405 E409 K410 L411	E405-T407 HydrophobicContact CG-CG2 4.38Å; T407-E409 VanDerWaalsContact C-N 3.29Å; T407-E409 PolarHBondContact O-N 2.94Å; T407-K410 PolarHBondContact O-N 2.76Å; T407-K410 VanDerWaalsContact O-N 3.14Å; T407-K410 WeakPolarHBondContact OG1-CG 3.33Å; T407-K410 PolarHBondContact OG1-N 3.42Å; T407-L411 WeakPolarHBondContact O-CG 3.48Å; T407-L411 PolarHBondContact O-N 3.1Å
408	E	95.9	Very high	97.4	Very high	66 Å²	66	26.3 Å²	26.3	31%	0.308	13%	0.131	S	C	.	.	H	α-helix	trans	-59.5	-39.9	-179.7	-170.4	59.1	-159	0	0	112.4	K281 L285 K410 L411 E412 R415	K281-E408 VanDerWaalsContact CE-CD 3.42Å; K281-E408 WeakPolarHBondContact CE-OE1 3.42Å; K281-E408 WeakPolarHBondContact CE-OE2 3.46Å; K281-E408 IonicContact NZ-OE1 2.88Å; K281-E408 PolarHBondContact NZ-OE1 2.99Å; K281-E408 IonicContact NZ-OE2 3.5Å; K281-E408 PolarHBondContact NZ-OE2 3.44Å; L285-E408 WeakPolarHBondContact CD1-OE2 3.36Å; E408-K410 PolarHBondContact O-N 3.03Å; E408-L411 PolarHBondContact O-N 3.4Å; E408-E412 WeakPolarHBondContact O-CB 3.39Å; E408-E412 PolarHBondContact O-N 3.01Å; E408-R415 IonicContact OE1-CZ 3.35Å; E408-R415 IonicContact OE1-NH1 3.13Å; E408-R415 PolarHBondContact OE1-NH1 3.38Å; E408-R415 IonicContact OE1-NH2 3.04Å; E408-R415 IonicContact OE2-NH2 3.72Å
409	E	96	Very high	97.4	Very high	96 Å²	96	27.4 Å²	27.4	45%	0.449	14%	0.14	S	C	.	.	H	α-helix	trans	-58.3	-46.4	175.1	-176.5	-167.7	161	0	0	111.8	T407 E412 I413	T407-E409 VanDerWaalsContact C-N 3.29Å; T407-E409 PolarHBondContact O-N 2.94Å; E409-E412 PolarHBondContact O-N 2.86Å; E409-I413 WeakPolarHBondContact O-CG1 3.38Å; E409-I413 PolarHBondContact O-N 2.91Å; E409-I413 VanDerWaalsContact O-N 3.14Å
410	K	97.5	Very high	97.5	Very high	31 Å²	31	27.8 Å²	27.8	14%	0.135	14%	0.141	C	C	.	.	H	α-helix	trans	-67.9	-38.3	179.2	-70.7	179.9	-172.5	178	0	112	V402 E405 T407 E408 E412 I413 V414 L441	V402-K410 HydrophobicContact CG1-CB 3.77Å; V402-K410 HydrophobicContact CG1-CD 3.63Å; V402-K410 HydrophobicContact CG1-CG 4.33Å; V402-K410 HydrophobicContact CG2-CB 4.34Å; E405-K410 WeakPolarHBondContact O-CD 3.3Å; E405-K410 PolarHBondContact O-NZ 2.97Å; T407-K410 PolarHBondContact O-N 2.76Å; T407-K410 VanDerWaalsContact O-N 3.14Å; T407-K410 WeakPolarHBondContact OG1-CG 3.33Å; T407-K410 PolarHBondContact OG1-N 3.42Å; E408-K410 PolarHBondContact O-N 3.03Å; K410-E412 VanDerWaalsContact C-N 3.33Å; K410-I413 PolarHBondContact O-N 2.86Å; K410-V414 PolarHBondContact O-N 3.2Å; K410-L441 HydrophobicContact CB-CD2 3.62Å; K410-L441 HydrophobicContact CD-CD2 4.21Å; K410-L441 HydrophobicContact CG-CD2 3.66Å
411	L	97.8	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-42.3	175.3	-74.3	168.3	0	0	0	110.8	L254 L285 L398 V402 I406 T407 E408 I413 V414 R415	L254-L411 HydrophobicContact CD2-CD1 3.85Å; L254-L411 HydrophobicContact CD2-CD2 3.83Å; L254-L411 HydrophobicContact CD2-CG 4.5Å; L285-L411 HydrophobicContact CD2-CD1 3.64Å; L398-L411 HydrophobicContact CB-CD2 3.66Å; L398-L411 HydrophobicContact CD1-CD2 4.25Å; V402-L411 HydrophobicContact CG2-CD2 4.21Å; I406-L411 HydrophobicContact CG2-CD1 3.56Å; I406-L411 HydrophobicContact CG2-CD2 3.9Å; I406-L411 HydrophobicContact CG2-CG 3.67Å; T407-L411 WeakPolarHBondContact O-CG 3.48Å; T407-L411 PolarHBondContact O-N 3.1Å; E408-L411 PolarHBondContact O-N 3.4Å; L411-I413 PolarHBondContact O-N 2.7Å; L411-V414 PolarHBondContact O-N 3.32Å; L411-R415 WeakPolarHBondContact O-CG 3.41Å; L411-R415 PolarHBondContact O-N 3.47Å
412	E	97.7	Very high	97.5	Very high	87 Å²	87	29.7 Å²	29.7	41%	0.407	15%	0.149	S	C	.	.	H	α-helix	trans	-60.8	-44.9	177.7	-169.2	64.2	-175.1	0	0	112	E408 E409 K410 V414 R415 E416	E408-E412 WeakPolarHBondContact O-CB 3.39Å; E408-E412 PolarHBondContact O-N 3.01Å; E409-E412 PolarHBondContact O-N 2.86Å; K410-E412 VanDerWaalsContact C-N 3.33Å; E412-V414 VanDerWaalsContact C-N 3.29Å; E412-V414 PolarHBondContact O-N 2.99Å; E412-R415 PolarHBondContact O-N 2.93Å; E412-R415 IonicContact OE2-NH1 3.29Å; E412-R415 PolarHBondContact OE2-NH1 2.92Å; E412-E416 HydrophobicContact CG-CG 4.38Å; E412-E416 WeakPolarHBondContact O-CG 3.44Å; E412-E416 PolarHBondContact O-N 3.01Å
413	I	98.2	Very high	97.4	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-54.8	-46.3	174.5	-68.8	167.6	0	0	0	111.2	E409 K410 L411 S417 L441 Y458 V460 V494 H496 V497	E409-I413 WeakPolarHBondContact O-CG1 3.38Å; E409-I413 PolarHBondContact O-N 2.91Å; E409-I413 VanDerWaalsContact O-N 3.14Å; K410-I413 PolarHBondContact O-N 2.86Å; L411-I413 PolarHBondContact O-N 2.7Å; I413-S417 VanDerWaalsContact O-CB 3.25Å; I413-S417 WeakPolarHBondContact O-CB 3.31Å; I413-S417 PolarHBondContact O-N 2.88Å; I413-S417 PolarHBondContact O-OG 2.93Å; I413-L441 HydrophobicContact CG2-CD1 3.92Å; I413-Y458 HydrophobicContact CD1-CD2 3.62Å; I413-Y458 HydrophobicContact CD1-CE2 4.11Å; I413-Y458 HydrophobicContact CD1-CG 4.35Å; I413-V460 HydrophobicContact CG2-CG2 3.93Å; I413-V494 HydrophobicContact CG2-CG1 4.43Å; I413-H496 HydrophobicContact CD1-CB 4.09Å; I413-V497 HydrophobicContact CG2-CG2 3.47Å; I413-V497 VanDerWaalsContact CG2-CG2 3.47Å
414	V	98.3	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.4	-42.5	179.8	179.2	0	0	0	0	111.1	L398 R401 V402 K410 L411 E412 E416 S417 D418 T439 L441	L398-V414 HydrophobicContact CD1-CG1 4.3Å; L398-V414 HydrophobicContact CD2-CG1 3.79Å; R401-V414 HydrophobicContact CB-CG1 4.38Å; V402-V414 HydrophobicContact CG2-CG2 3.78Å; K410-V414 PolarHBondContact O-N 3.2Å; L411-V414 PolarHBondContact O-N 3.32Å; E412-V414 VanDerWaalsContact C-N 3.29Å; E412-V414 PolarHBondContact O-N 2.99Å; V414-E416 PolarHBondContact O-N 2.97Å; V414-S417 WeakPolarHBondContact CA-OG 3.41Å; V414-S417 PolarHBondContact O-OG 3.43Å; V414-D418 WeakPolarHBondContact O-CB 3.37Å; V414-D418 PolarHBondContact O-N 2.92Å; V414-T439 PolarHBondContact O-OG1 3.17Å; V414-L441 HydrophobicContact CG2-CB 3.66Å
415	R	98.2	Very high	97.5	Very high	26 Å²	26	31.6 Å²	31.6	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-47.2	178.5	-75.2	-177.9	-159.2	122.1	-0.7	112.2	G253 K257 L398 E408 L411 E412 A419	G253-R415 PolarHBondContact O-NH2 2.91Å; K257-R415 HydrophobicContact CB-CB 4.24Å; L398-R415 HydrophobicContact CD1-CG 3.46Å; L398-R415 VanDerWaalsContact CD1-CG 3.46Å; E408-R415 IonicContact OE1-CZ 3.35Å; E408-R415 IonicContact OE1-NH1 3.13Å; E408-R415 PolarHBondContact OE1-NH1 3.38Å; E408-R415 IonicContact OE1-NH2 3.04Å; E408-R415 IonicContact OE2-NH2 3.72Å; L411-R415 WeakPolarHBondContact O-CG 3.41Å; L411-R415 PolarHBondContact O-N 3.47Å; E412-R415 PolarHBondContact O-N 2.93Å; E412-R415 IonicContact OE2-NH1 3.29Å; E412-R415 PolarHBondContact OE2-NH1 2.92Å; R415-A419 WeakPolarHBondContact O-CB 3.48Å; R415-A419 PolarHBondContact O-N 3.32Å; R415-A419 VanDerWaalsContact O-N 3.08Å
416	E	98.5	Very high	97.4	Very high	45 Å²	45	30.5 Å²	30.5	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-70.2	-45.8	-178.7	-67.3	-57.3	131.7	0	0	111.7	K257 E412 V414 D418 A419 I420 V494	K257-E416 VanDerWaalsContact CD-OE1 3.23Å; K257-E416 WeakPolarHBondContact CD-OE1 3.31Å; K257-E416 WeakPolarHBondContact CE-OE1 3.31Å; K257-E416 IonicContact NZ-OE1 2.92Å; K257-E416 PolarHBondContact NZ-OE1 2.98Å; K257-E416 IonicContact NZ-OE2 3.33Å; K257-E416 PolarHBondContact NZ-OE2 3.01Å; E412-E416 HydrophobicContact CG-CG 4.38Å; E412-E416 WeakPolarHBondContact O-CG 3.44Å; E412-E416 PolarHBondContact O-N 3.01Å; V414-E416 PolarHBondContact O-N 2.97Å; E416-D418 PolarHBondContact O-N 3.05Å; E416-A419 PolarHBondContact O-N 2.87Å; E416-I420 PolarHBondContact O-N 3.36Å; E416-I420 VanDerWaalsContact O-N 3.16Å; E416-V494 HydrophobicContact CB-CG1 3.99Å; E416-V494 HydrophobicContact CB-CG2 3.88Å
417	S	98.6	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-38.8	178.6	61.4	0	0	0	0	112.9	I413 V414 I420 L421 T439	I413-S417 VanDerWaalsContact O-CB 3.25Å; I413-S417 WeakPolarHBondContact O-CB 3.31Å; I413-S417 PolarHBondContact O-N 2.88Å; I413-S417 PolarHBondContact O-OG 2.93Å; V414-S417 WeakPolarHBondContact CA-OG 3.41Å; V414-S417 PolarHBondContact O-OG 3.43Å; S417-I420 PolarHBondContact O-N 2.64Å; S417-L421 PolarHBondContact O-N 2.92Å; S417-T439 WeakPolarHBondContact OG-CB 3.46Å; S417-T439 PolarHBondContact OG-OG1 2.84Å
418	D	98.3	Very high	97.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-65.3	-38.6	175.2	-177.6	83.3	0	0	0	111.4	V414 E416 L421 R422 F438 T439	V414-D418 WeakPolarHBondContact O-CB 3.37Å; V414-D418 PolarHBondContact O-N 2.92Å; E416-D418 PolarHBondContact O-N 3.05Å; D418-L421 PolarHBondContact O-N 2.88Å; D418-R422 WeakPolarHBondContact O-CB 3.47Å; D418-R422 WeakPolarHBondContact O-CG 3.4Å; D418-R422 PolarHBondContact O-N 2.8Å; D418-R422 IonicContact OD2-CZ 2.82Å; D418-R422 IonicContact OD2-NE 2.94Å; D418-R422 PolarHBondContact OD2-NE 2.8Å; D418-R422 IonicContact OD2-NH2 3.64Å; D418-F438 WeakPolarHBondContact OD1-CA 3.34Å; D418-T439 WeakPolarHBondContact CA-OG1 3.28Å; D418-T439 WeakPolarHBondContact CB-OG1 3.29Å; D418-T439 PolarHBondContact N-OG1 2.79Å
419	A	97.9	Very high	97.4	Very high	22 Å²	22	34 Å²	34	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-46.4	176.2	0	0	0	0	0	111.9	K257 R415 E416 R422 E423	K257-A419 HydrophobicContact CB-CB 4.28Å; K257-A419 HydrophobicContact CD-CB 3.97Å; R415-A419 WeakPolarHBondContact O-CB 3.48Å; R415-A419 PolarHBondContact O-N 3.32Å; R415-A419 VanDerWaalsContact O-N 3.08Å; E416-A419 PolarHBondContact O-N 2.87Å; A419-R422 PolarHBondContact O-N 3.32Å; A419-E423 WeakPolarHBondContact O-CB 3.21Å; A419-E423 PolarHBondContact O-N 2.8Å
420	I	98.6	Very high	97.4	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-46.4	176.7	-67.7	171.1	0	0	0	111.1	E416 S417 R422 E423 E424 R489 I490 E493 V494	E416-I420 PolarHBondContact O-N 3.36Å; E416-I420 VanDerWaalsContact O-N 3.16Å; S417-I420 PolarHBondContact O-N 2.64Å; I420-R422 VanDerWaalsContact C-N 3.3Å; I420-R422 PolarHBondContact O-N 2.82Å; I420-E423 PolarHBondContact O-N 2.86Å; I420-E424 WeakPolarHBondContact O-CG 3.46Å; I420-E424 PolarHBondContact O-N 2.86Å; I420-R489 HydrophobicContact CG2-CB 3.54Å; I420-I490 HydrophobicContact CB-CG1 4.04Å; I420-I490 HydrophobicContact CD1-CG1 4.28Å; I420-I490 HydrophobicContact CG2-CG1 3.78Å; I420-E493 HydrophobicContact CD1-CB 3.8Å; I420-V494 HydrophobicContact CD1-CG2 3.68Å
421	L	98.4	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-48.1	176.7	172.3	64.5	0	0	0	110.6	S417 D418 E424 I425 Y437 F438 T439 I462 I486	S417-L421 PolarHBondContact O-N 2.92Å; D418-L421 PolarHBondContact O-N 2.88Å; L421-E424 PolarHBondContact O-N 3.26Å; L421-I425 HydrophobicContact CD1-CG1 3.96Å; L421-I425 HydrophobicContact CG-CG1 4.49Å; L421-I425 VanDerWaalsContact O-CG1 3.29Å; L421-I425 WeakPolarHBondContact O-CG1 3.49Å; L421-I425 PolarHBondContact O-N 2.88Å; L421-Y437 HydrophobicContact CD2-CD2 4.37Å; L421-Y437 HydrophobicContact CG-CD2 4.23Å; L421-F438 VanDerWaalsContact CD2-C 3.42Å; L421-T439 HydrophobicContact CB-CG2 4.14Å; L421-T439 HydrophobicContact CD2-CG2 3.88Å; L421-I462 HydrophobicContact CD1-CG2 3.99Å; L421-I462 HydrophobicContact CD2-CG2 4.12Å; L421-I486 HydrophobicContact CD1-CD1 3.7Å; L421-I486 HydrophobicContact CD1-CG1 4.35Å; L421-I486 HydrophobicContact CD1-CG2 4.06Å
422	R	96.2	Very high	96.5	Very high	46 Å²	46	39.1 Å²	39.1	17%	0.174	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-40.7	-178.6	-71.7	-172.1	-67.1	115.9	-0.4	113.3	D418 A419 I420 A426 Y437	D418-R422 WeakPolarHBondContact O-CB 3.47Å; D418-R422 WeakPolarHBondContact O-CG 3.4Å; D418-R422 PolarHBondContact O-N 2.8Å; D418-R422 IonicContact OD2-CZ 2.82Å; D418-R422 IonicContact OD2-NE 2.94Å; D418-R422 PolarHBondContact OD2-NE 2.8Å; D418-R422 IonicContact OD2-NH2 3.64Å; A419-R422 PolarHBondContact O-N 3.32Å; I420-R422 VanDerWaalsContact C-N 3.3Å; I420-R422 PolarHBondContact O-N 2.82Å; R422-A426 WeakPolarHBondContact O-CB 3.24Å; R422-A426 PolarHBondContact O-N 2.85Å; R422-A426 VanDerWaalsContact O-N 3.11Å; R422-Y437 HydrophobicContact CB-CE2 4.35Å; R422-Y437 HydrophobicContact CG-CD2 4.33Å; R422-Y437 HydrophobicContact CG-CE2 3.84Å
423	E	96.8	Very high	96.2	Very high	92 Å²	92	40.3 Å²	40.3	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-47.3	176.1	-168.2	-167.7	161.8	0	0	111.2	A419 I420 A426 N427 R489	A419-E423 WeakPolarHBondContact O-CB 3.21Å; A419-E423 PolarHBondContact O-N 2.8Å; I420-E423 PolarHBondContact O-N 2.86Å; E423-A426 PolarHBondContact O-N 3.07Å; E423-N427 WeakPolarHBondContact O-CB 3.35Å; E423-N427 PolarHBondContact O-N 2.95Å; E423-N427 PolarHBondContact O-ND2 3.14Å; E423-R489 IonicContact OE1-NH1 3.92Å; E423-R489 PolarHBondContact OE1-NH1 3.47Å; E423-R489 IonicContact OE2-CZ 3.85Å; E423-R489 IonicContact OE2-NH1 3.1Å; E423-R489 PolarHBondContact OE2-NH1 3.06Å; E423-R489 IonicContact OE2-NH2 3.68Å; E423-R489 PolarHBondContact OE2-NH2 3.07Å
424	E	98.2	Very high	96	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-71.7	-34.9	-177.2	-69.5	-57.4	159.8	0	0	113.8	I420 L421 N427 A428 K485 I486 R489	I420-E424 WeakPolarHBondContact O-CG 3.46Å; I420-E424 PolarHBondContact O-N 2.86Å; L421-E424 PolarHBondContact O-N 3.26Å; E424-N427 PolarHBondContact O-N 2.97Å; E424-A428 WeakPolarHBondContact O-CB 3.3Å; E424-A428 PolarHBondContact O-N 2.91Å; E424-K485 VanDerWaalsContact CD-CE 3.48Å; E424-K485 VanDerWaalsContact OE1-CE 3.3Å; E424-K485 WeakPolarHBondContact OE1-CE 3.44Å; E424-K485 IonicContact OE1-NZ 2.81Å; E424-K485 PolarHBondContact OE1-NZ 3.39Å; E424-K485 VanDerWaalsContact OE2-CD 3.24Å; E424-K485 WeakPolarHBondContact OE2-CD 3.48Å; E424-K485 WeakPolarHBondContact OE2-CE 3.35Å; E424-K485 IonicContact OE2-NZ 3.44Å; E424-K485 PolarHBondContact OE2-NZ 2.97Å; E424-I486 HydrophobicContact CB-CD1 4.24Å; E424-I486 HydrophobicContact CB-CG1 3.51Å; E424-I486 HydrophobicContact CG-CG1 4.01Å; E424-R489 WeakPolarHBondContact OE1-CD 3.33Å; E424-R489 IonicContact OE1-CZ 3.06Å; E424-R489 IonicContact OE1-NE 2.64Å; E424-R489 IonicContact OE1-NH1 3.85Å; E424-R489 PolarHBondContact OE1-NH1 3.45Å
425	I	97.1	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-42.1	172.8	-69	-61.2	0	0	0	111	L421 A428 G429 L430 D431 I434 Y437 I478 V482 I486	L421-I425 HydrophobicContact CD1-CG1 3.96Å; L421-I425 HydrophobicContact CG-CG1 4.49Å; L421-I425 VanDerWaalsContact O-CG1 3.29Å; L421-I425 WeakPolarHBondContact O-CG1 3.49Å; L421-I425 PolarHBondContact O-N 2.88Å; I425-A428 PolarHBondContact O-N 3.49Å; I425-G429 PolarHBondContact O-N 3.05Å; I425-L430 HydrophobicContact CD1-CD1 4.38Å; I425-L430 HydrophobicContact CG2-CB 3.95Å; I425-L430 PolarHBondContact O-N 2.94Å; I425-D431 HydrophobicContact CG2-CB 4.45Å; I425-I434 HydrophobicContact CD1-CD1 3.92Å; I425-I434 HydrophobicContact CG2-CD1 4.29Å; I425-Y437 HydrophobicContact CB-CD2 4.25Å; I425-Y437 HydrophobicContact CB-CE2 3.71Å; I425-Y437 HydrophobicContact CG1-CD2 3.97Å; I425-Y437 HydrophobicContact CG1-CE2 3.96Å; I425-Y437 HydrophobicContact CG2-CD1 4.4Å; I425-Y437 HydrophobicContact CG2-CD2 4.21Å; I425-Y437 HydrophobicContact CG2-CE1 3.86Å; I425-Y437 HydrophobicContact CG2-CE2 3.59Å; I425-Y437 VanDerWaalsContact CG2-CZ 3.41Å; I425-I478 HydrophobicContact CD1-CD1 4.04Å; I425-I478 HydrophobicContact CD1-CG2 4.23Å; I425-V482 HydrophobicContact CD1-CG1 4.44Å; I425-I486 HydrophobicContact CD1-CD1 4.2Å
426	A	94.5	Very high	95.5	Very high	50 Å²	50	43 Å²	43	41%	0.413	23%	0.233	S	C	.	.	H	α-helix	trans	-65.6	-43.8	175.3	0	0	0	0	0	111.9	R422 E423 A428 G429	R422-A426 WeakPolarHBondContact O-CB 3.24Å; R422-A426 PolarHBondContact O-N 2.85Å; R422-A426 VanDerWaalsContact O-N 3.11Å; E423-A426 PolarHBondContact O-N 3.07Å; A426-A428 PolarHBondContact O-N 2.87Å; A426-G429 PolarHBondContact O-N 3.11Å
427	N	96.8	Very high	95.4	Very high	105 Å²	105	41.4 Å²	41.4	56%	0.561	23%	0.225	S	C	*	.	H	α-helix	trans	-61	-28.6	176.1	-72.5	-24.2	0	0	0	112.9	E423 E424 G429	E423-N427 WeakPolarHBondContact O-CB 3.35Å; E423-N427 PolarHBondContact O-N 2.95Å; E423-N427 PolarHBondContact O-ND2 3.14Å; E424-N427 PolarHBondContact O-N 2.97Å; N427-G429 VanDerWaalsContact C-N 3.33Å
428	A	97	Very high	95.4	Very high	44 Å²	44	41.5 Å²	41.5	36%	0.364	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6	174.7	0	0	0	0	0	113.8	E424 I425 A426 L430 V482	E424-A428 WeakPolarHBondContact O-CB 3.3Å; E424-A428 PolarHBondContact O-N 2.91Å; I425-A428 PolarHBondContact O-N 3.49Å; A426-A428 PolarHBondContact O-N 2.87Å; A428-L430 VanDerWaalsContact C-N 3.3Å; A428-L430 HydrophobicContact CB-CD1 3.81Å; A428-L430 HydrophobicContact CB-CG 3.9Å; A428-L430 PolarHBondContact O-N 2.73Å; A428-V482 HydrophobicContact CB-CG1 4.14Å; A428-V482 HydrophobicContact CB-CG2 3.96Å
429	G	95.4	Very high	95.4	Very high	46 Å²	46	41.4 Å²	41.4	47%	0.474	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	24.3	-176.5	0	0	0	0	0	114.1	I425 A426 N427	I425-G429 PolarHBondContact O-N 3.05Å; A426-G429 PolarHBondContact O-N 3.11Å; N427-G429 VanDerWaalsContact C-N 3.33Å
430	L	94.9	Very high	95.4	Very high	29 Å²	29	40.4 Å²	40.4	15%	0.152	22%	0.217	C	C	.	.			trans	-99.7	-0.3	-174.3	-65.5	174.5	0	0	0	113.3	I425 A428 R432 D433 I434 I478 P479	I425-L430 HydrophobicContact CD1-CD1 4.38Å; I425-L430 HydrophobicContact CG2-CB 3.95Å; I425-L430 PolarHBondContact O-N 2.94Å; A428-L430 VanDerWaalsContact C-N 3.3Å; A428-L430 HydrophobicContact CB-CD1 3.81Å; A428-L430 HydrophobicContact CB-CG 3.9Å; A428-L430 PolarHBondContact O-N 2.73Å; L430-R432 PolarHBondContact O-N 2.71Å; L430-D433 PolarHBondContact O-N 3.41Å; L430-I434 HydrophobicContact CB-CD1 4.06Å; L430-I434 HydrophobicContact CB-CG1 4.41Å; L430-I434 WeakPolarHBondContact O-CG1 3.49Å; L430-I434 PolarHBondContact O-N 3.06Å; L430-I478 HydrophobicContact CD1-CG2 4.34Å; L430-P479 HydrophobicContact CD1-CG 4.45Å
431	D	89.7	Confident	95.4	Very high	73 Å²	73	40 Å²	40	39%	0.39	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.4	-175.3	64.2	-48.8	0	0	0	113.7	I425	I425-D431 HydrophobicContact CG2-CB 4.45Å
432	R	87.7	Confident	95.3	Very high	132 Å²	132	41.1 Å²	41.1	50%	0.498	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-24.5	175.3	-56.9	-70	-94.6	140.4	-11.3	113.2	W389 L430	W389-R432 VanDerWaalsContact CD2-CZ 3.47Å; L430-R432 PolarHBondContact O-N 2.71Å
433	D	90.3	Very high	95.2	Very high	113 Å²	113	40.8 Å²	40.8	60%	0.604	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-35.4	-177.1	-66.2	-27.2	0	0	0	111.9	L430	L430-D433 PolarHBondContact O-N 3.41Å
434	I	94.1	Very high	95.1	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.051	24%	0.238	C	C	.	.			trans	-93.5	121.2	-179.9	-52.8	176.2	0	0	0	109.1	I425 L430 Y437 A464 V465 A476 I478	I425-I434 HydrophobicContact CD1-CD1 3.92Å; I425-I434 HydrophobicContact CG2-CD1 4.29Å; L430-I434 HydrophobicContact CB-CD1 4.06Å; L430-I434 HydrophobicContact CB-CG1 4.41Å; L430-I434 WeakPolarHBondContact O-CG1 3.49Å; L430-I434 PolarHBondContact O-N 3.06Å; I434-Y437 HydrophobicContact CB-CD1 3.84Å; I434-Y437 HydrophobicContact CB-CE1 4.28Å; I434-Y437 HydrophobicContact CG2-CD1 3.58Å; I434-Y437 HydrophobicContact CG2-CE1 4.48Å; I434-Y437 HydrophobicContact CG2-CG 4.21Å; I434-A464 HydrophobicContact CG2-CB 3.98Å; I434-V465 WeakPolarHBondContact CG2-O 3.48Å; I434-A476 HydrophobicContact CD1-CB 4.2Å; I434-A476 HydrophobicContact CG1-CB 4.08Å; I434-A476 HydrophobicContact CG2-CB 3.99Å; I434-I478 HydrophobicContact CD1-CD1 4.17Å; I434-I478 HydrophobicContact CD1-CG1 3.84Å
435	W	90.8	Very high	95	Very high	69 Å²	69	46.1 Å²	46.1	26%	0.261	26%	0.255	S	S	.	.	S	Bend	trans	-68.2	-43.8	-174.7	178.4	78.4	0	0	0	113	P392 V465 V512	P392-W435 HydrophobicContact CG-CH2 4.36Å; P392-W435 HydrophobicContact CG-CZ2 3.95Å; W435-V465 WeakPolarHBondContact CB-O 3.33Å; W435-V465 HydrophobicContact CE3-CG2 3.77Å; W435-V465 HydrophobicContact CZ3-CG2 4.29Å; W435-V465 PolarHBondContact N-O 3.48Å; W435-V512 HydrophobicContact CZ3-CG1 4.4Å; W435-V512 HydrophobicContact CZ3-CG2 4.39Å
436	Q	94.9	Very high	94.8	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	137.2	177.2	-162.6	-173.4	9.4	0	0	109.9	P392 F438 A464 V465 E513	P392-Q436 PolarHBondContact O-NE2 3.19Å; P392-Q436 VanDerWaalsContact O-NE2 3.07Å; Q436-F438 HydrophobicContact CG-CD1 4.12Å; Q436-F438 HydrophobicContact CG-CE1 4.21Å; Q436-A464 WeakPolarHBondContact O-CA 3.07Å; Q436-V465 HydrophobicContact CB-CG2 4.24Å; Q436-V465 PolarHBondContact N-O 3.2Å; Q436-V465 PolarHBondContact O-N 3.46Å; Q436-E513 PolarHBondContact NE2-OE1 3.5Å
437	Y	97.1	Very high	94.8	Very high	13 Å²	13	47.9 Å²	47.9	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	138.8	178.4	52.2	-83.9	0	0	0	111.9	Q391 L421 R422 I425 I434 R463	Q391-Y437 VanDerWaalsContact CD-CE1 3.46Å; Q391-Y437 HydrophobicContact CG-CE1 4.1Å; Q391-Y437 PolarHBondContact NE2-OH 2.88Å; Q391-Y437 PolarHBondContact OE1-O 3.3Å; L421-Y437 HydrophobicContact CD2-CD2 4.37Å; L421-Y437 HydrophobicContact CG-CD2 4.23Å; R422-Y437 HydrophobicContact CB-CE2 4.35Å; R422-Y437 HydrophobicContact CG-CD2 4.33Å; R422-Y437 HydrophobicContact CG-CE2 3.84Å; I425-Y437 HydrophobicContact CB-CD2 4.25Å; I425-Y437 HydrophobicContact CB-CE2 3.71Å; I425-Y437 HydrophobicContact CG1-CD2 3.97Å; I425-Y437 HydrophobicContact CG1-CE2 3.96Å; I425-Y437 HydrophobicContact CG2-CD1 4.4Å; I425-Y437 HydrophobicContact CG2-CD2 4.21Å; I425-Y437 HydrophobicContact CG2-CE1 3.86Å; I425-Y437 HydrophobicContact CG2-CE2 3.59Å; I425-Y437 VanDerWaalsContact CG2-CZ 3.41Å; I434-Y437 HydrophobicContact CB-CD1 3.84Å; I434-Y437 HydrophobicContact CB-CE1 4.28Å; I434-Y437 HydrophobicContact CG2-CD1 3.58Å; I434-Y437 HydrophobicContact CG2-CE1 4.48Å; I434-Y437 HydrophobicContact CG2-CG 4.21Å; Y437-R463 CarbonylContact C-O 3.52Å; Y437-R463 WeakPolarHBondContact CA-O 3.22Å
438	F	98.2	Very high	94.4	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	166.3	-173.9	52.3	-90.1	0	0	0	112.1	R401 D418 L421 Q436 R463 V512 E513	R401-F438 HydrophobicContact CG-CD2 4.28Å; R401-F438 VanDerWaalsContact NH2-CD1 3.33Å; D418-F438 WeakPolarHBondContact OD1-CA 3.34Å; L421-F438 VanDerWaalsContact CD2-C 3.42Å; Q436-F438 HydrophobicContact CG-CD1 4.12Å; Q436-F438 HydrophobicContact CG-CE1 4.21Å; F438-R463 HydrophobicContact CD2-CB 4.04Å; F438-R463 HydrophobicContact CE1-CB 4.21Å; F438-R463 HydrophobicContact CE1-CG 3.85Å; F438-R463 HydrophobicContact CE2-CB 3.63Å; F438-R463 HydrophobicContact CE2-CG 3.87Å; F438-R463 HydrophobicContact CG-CB 4.49Å; F438-R463 HydrophobicContact CZ-CB 3.72Å; F438-R463 HydrophobicContact CZ-CG 3.42Å; F438-R463 VanDerWaalsContact CZ-CG 3.42Å; F438-R463 PolarHBondContact N-O 3.34Å; F438-R463 PolarHBondContact O-N 3.23Å; F438-V512 HydrophobicContact CE1-CG1 4.11Å; F438-V512 HydrophobicContact CZ-CG1 4.4Å; F438-V512 WeakPolarHBondContact CZ-O 3.42Å; F438-E513 WeakPolarHBondContact CE2-OE2 3.28Å; F438-E513 VanDerWaalsContact CZ-OE2 3.25Å; F438-E513 WeakPolarHBondContact CZ-OE2 3.12Å
439	T	98.6	Very high	93.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	151.1	168.3	61.5	0	0	0	0	111.7	V414 S417 D418 L421 V460 G461 I462 I490	V414-T439 PolarHBondContact O-OG1 3.17Å; S417-T439 WeakPolarHBondContact OG-CB 3.46Å; S417-T439 PolarHBondContact OG-OG1 2.84Å; D418-T439 WeakPolarHBondContact CA-OG1 3.28Å; D418-T439 WeakPolarHBondContact CB-OG1 3.29Å; D418-T439 PolarHBondContact N-OG1 2.79Å; L421-T439 HydrophobicContact CB-CG2 4.14Å; L421-T439 HydrophobicContact CD2-CG2 3.88Å; T439-V460 HydrophobicContact CG2-CG1 3.98Å; T439-G461 CarbonylContact C-O 3.53Å; T439-G461 VanDerWaalsContact CA-O 3.27Å; T439-G461 WeakPolarHBondContact CA-O 3.33Å; T439-I462 HydrophobicContact CG2-CG1 4.48Å; T439-I490 HydrophobicContact CG2-CD1 4.4Å
440	V	98.4	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.1	178.9	60.1	0	0	0	0	109.7	R401 L403 P442 G461 W514	R401-V440 CarbonylContact O-C 3.56Å; R401-V440 WeakPolarHBondContact O-CA 3.43Å; R401-V440 WeakPolarHBondContact O-CG2 3.21Å; L403-V440 HydrophobicContact CD1-CG2 3.34Å; V440-P442 VanDerWaalsContact O-CD 3.24Å; V440-P442 WeakPolarHBondContact O-CD 3.26Å; V440-G461 PolarHBondContact N-O 3.19Å; V440-G461 PolarHBondContact O-N 2.77Å; V440-W514 HydrophobicContact CB-CD2 4.3Å; V440-W514 HydrophobicContact CB-CE3 4.47Å; V440-W514 HydrophobicContact CB-CG 4.5Å; V440-W514 HydrophobicContact CG1-CD2 3.61Å; V440-W514 HydrophobicContact CG1-CE3 3.8Å; V440-W514 HydrophobicContact CG1-CG 4.19Å; V440-W514 HydrophobicContact CG1-CH2 4.05Å; V440-W514 HydrophobicContact CG1-CZ2 3.88Å; V440-W514 HydrophobicContact CG1-CZ3 4.03Å; V440-W514 HydrophobicContact CG2-CB 3.98Å; V440-W514 HydrophobicContact CG2-CD2 3.82Å; V440-W514 HydrophobicContact CG2-CE3 3.76Å; V440-W514 HydrophobicContact CG2-CG 3.94Å
441	L	98.2	Very high	92.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-107.8	97.4	178.8	-169	68.8	0	0	0	110.5	R401 L403 K410 I413 V414 G443 Y458 V460	R401-L441 PolarHBondContact O-N 2.82Å; L403-L441 PolarHBondContact N-O 2.91Å; K410-L441 HydrophobicContact CB-CD2 3.62Å; K410-L441 HydrophobicContact CD-CD2 4.21Å; K410-L441 HydrophobicContact CG-CD2 3.66Å; I413-L441 HydrophobicContact CG2-CD1 3.92Å; V414-L441 HydrophobicContact CG2-CB 3.66Å; L441-G443 PolarHBondContact O-N 2.9Å; L441-G443 VanDerWaalsContact O-N 3.13Å; L441-Y458 HydrophobicContact CD1-CD1 4.14Å; L441-Y458 HydrophobicContact CD1-CG 4.03Å; L441-V460 HydrophobicContact CD1-CG2 4.12Å
442	P	97.3	Very high	91.6	Very high	23 Å²	23	55.2 Å²	55.2	15%	0.149	31%	0.307	C	S	.	.			trans	-65.9	-9.4	-179.3	19.2	-32.2	0	0	0	116.6	V440 I444 T459 W514	V440-P442 VanDerWaalsContact O-CD 3.24Å; V440-P442 WeakPolarHBondContact O-CD 3.26Å; P442-I444 HydrophobicContact CB-CD1 4.05Å; P442-I444 HydrophobicContact CB-CG1 4.12Å; P442-I444 HydrophobicContact CG-CD1 4.44Å; P442-I444 PolarHBondContact O-N 3.08Å; P442-T459 VanDerWaalsContact CD-O 3.24Å; P442-T459 WeakPolarHBondContact CD-O 3.46Å; P442-T459 WeakPolarHBondContact CG-O 3.44Å; P442-W514 HydrophobicContact CB-CZ3 3.98Å; P442-W514 HydrophobicContact CG-CZ3 4.38Å
443	G	94.2	Very high	91.3	Very high	39 Å²	39	50.5 Å²	50.5	40%	0.402	30%	0.3	S	S	.	.	S	Bend	trans	75.7	8.4	-173.2	0	0	0	0	0	114.6	L441	L441-G443 PolarHBondContact O-N 2.9Å; L441-G443 VanDerWaalsContact O-N 3.13Å
444	I	94.6	Very high	91	Very high	104 Å²	104	55 Å²	55	53%	0.533	31%	0.308	S	S	.	.			trans	-85.8	132.4	175.2	-57.7	166.7	0	0	0	109.4	P442 T459	P442-I444 HydrophobicContact CB-CD1 4.05Å; P442-I444 HydrophobicContact CB-CG1 4.12Å; P442-I444 HydrophobicContact CG-CD1 4.44Å; P442-I444 PolarHBondContact O-N 3.08Å; I444-T459 PolarHBondContact O-N 3.22Å
445	R	94.4	Very high	90.8	Very high	108 Å²	108	55.9 Å²	55.9	41%	0.408	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147	170.2	-67.5	-171.9	-180	-168.5	0.2	111.1	Y456 D457 Y458	R445-Y456 HydrophobicContact CB-CD1 3.99Å; R445-Y456 HydrophobicContact CB-CD2 4.37Å; R445-Y456 HydrophobicContact CB-CE1 3.48Å; R445-Y456 VanDerWaalsContact CB-CE1 3.48Å; R445-Y456 HydrophobicContact CB-CE2 3.9Å; R445-Y456 HydrophobicContact CB-CG 4.42Å; R445-Y456 VanDerWaalsContact CB-CZ 3.43Å; R445-Y456 HydrophobicContact CG-CE1 4.21Å; R445-D457 CarbonylContact C-O 3.46Å; R445-D457 WeakPolarHBondContact CA-O 3.38Å; R445-Y458 HydrophobicContact CG-CD1 4.08Å; R445-Y458 HydrophobicContact CG-CE1 4.08Å; R445-Y458 PolarHBondContact NH2-OH 3.18Å
446	S	94.2	Very high	91	Very high	20 Å²	20	59.2 Å²	59.2	14%	0.14	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	153	-178.2	-160.9	0	0	0	0	112.1	Y456 D457 N498 R499	S446-Y456 VanDerWaalsContact O-CA 3.32Å; S446-Y456 WeakPolarHBondContact O-CA 3.37Å; S446-D457 PolarHBondContact N-O 3.3Å; S446-D457 PolarHBondContact O-N 2.91Å; S446-N498 PolarHBondContact O-ND2 3.26Å; S446-N498 PolarHBondContact O-OD1 3.22Å; S446-R499 PolarHBondContact OG-NE 2.88Å; S446-R499 PolarHBondContact OG-NH2 2.87Å
447	V	93.3	Very high	91	Very high	66 Å²	66	60.1 Å²	60.1	40%	0.4	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.4	170.7	-64.2	0	0	0	0	109.9	T455 Y456 R499	V447-T455 WeakPolarHBondContact CA-O 3.4Å; V447-Y456 HydrophobicContact CG1-CD2 3.92Å; V447-Y456 HydrophobicContact CG1-CE2 4.39Å; V447-R499 PolarHBondContact O-NH2 2.9Å; V447-R499 VanDerWaalsContact O-NH2 3.11Å
448	G	89.2	Confident	91	Very high	15 Å²	15	60.5 Å²	60.5	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	166.5	174.9	0	0	0	0	0	111.5	R454 T455 N498	G448-R454 WeakPolarHBondContact O-CA 3.33Å; G448-T455 WeakPolarHBondContact CA-OG1 3.44Å; G448-T455 PolarHBondContact N-O 2.96Å; G448-T455 PolarHBondContact O-N 3.32Å; G448-N498 PolarHBondContact N-ND2 2.86Å
449	V	85.3	Confident	91	Very high	122 Å²	122	60.9 Å²	60.9	74%	0.739	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.8	167.9	-178.5	0	0	0	0	106.1	G453	V449-G453 WeakPolarHBondContact CA-O 3.41Å
450	M	77.7	Confident	91	Very high	62 Å²	62	60.9 Å²	60.9	31%	0.305	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.3	-176.1	-65.7	173.7	137.8	0	0	108.1	G453 T455 V491 V497 N498	M450-G453 PolarHBondContact N-O 3.49Å; M450-G453 PolarHBondContact O-N 3.26Å; M450-T455 HydrophobicContact CB-CG2 3.87Å; M450-T455 HydrophobicContact CG-CG2 4.05Å; M450-T455 HydrophobicContact SD-CG2 3.72Å; M450-V491 HydrophobicContact CE-CG1 3.31Å; M450-V497 VanDerWaalsContact CE-O 3.3Å; M450-V497 WeakPolarHBondContact CE-O 3.44Å; M450-N498 HydrophobicContact CE-CB 3.45Å; M450-N498 VanDerWaalsContact CE-CB 3.45Å; M450-N498 HydrophobicContact SD-CB 3.8Å
451	G	79.3	Confident	91	Very high	69 Å²	69	60.9 Å²	60.9	71%	0.711	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-133.7	-161.4	0	0	0	0	0	110.6
452	D	76.3	Confident	91	Very high	183 Å²	183	60.9 Å²	60.9	98%	0.979	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	6.1	177.2	-61.7	-30.2	0	0	0	113
453	G	80.1	Confident	91.1	Very high	34 Å²	34	59.8 Å²	59.8	35%	0.351	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	149.4	-173.8	0	0	0	0	0	114.3	V449 M450	V449-G453 WeakPolarHBondContact CA-O 3.41Å; M450-G453 PolarHBondContact N-O 3.49Å; M450-G453 PolarHBondContact O-N 3.26Å
454	R	85.5	Confident	91.3	Very high	207 Å²	207	58 Å²	58	78%	0.781	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.9	168.4	-176	178.5	179.9	-178.3	-0.7	109.7	G448	G448-R454 WeakPolarHBondContact O-CA 3.33Å
455	T	90.2	Very high	91.3	Very high	29 Å²	29	53 Å²	53	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	156.3	176.2	63.7	0	0	0	0	112	V447 G448 M450 D457 N498	V447-T455 WeakPolarHBondContact CA-O 3.4Å; G448-T455 WeakPolarHBondContact CA-OG1 3.44Å; G448-T455 PolarHBondContact N-O 2.96Å; G448-T455 PolarHBondContact O-N 3.32Å; M450-T455 HydrophobicContact CB-CG2 3.87Å; M450-T455 HydrophobicContact CG-CG2 4.05Å; M450-T455 HydrophobicContact SD-CG2 3.72Å; T455-D457 WeakPolarHBondContact CB-OD2 3.28Å; T455-N498 PolarHBondContact OG1-ND2 2.89Å; T455-N498 VanDerWaalsContact OG1-ND2 3.08Å
456	Y	93.2	Very high	91.3	Very high	138 Å²	138	50.6 Å²	50.6	54%	0.541	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	82.3	172.7	-170.1	-112.9	0	0	0	110.1	R445 S446 V447	R445-Y456 HydrophobicContact CB-CD1 3.99Å; R445-Y456 HydrophobicContact CB-CD2 4.37Å; R445-Y456 HydrophobicContact CB-CE1 3.48Å; R445-Y456 VanDerWaalsContact CB-CE1 3.48Å; R445-Y456 HydrophobicContact CB-CE2 3.9Å; R445-Y456 HydrophobicContact CB-CG 4.42Å; R445-Y456 VanDerWaalsContact CB-CZ 3.43Å; R445-Y456 HydrophobicContact CG-CE1 4.21Å; S446-Y456 VanDerWaalsContact O-CA 3.32Å; S446-Y456 WeakPolarHBondContact O-CA 3.37Å; V447-Y456 HydrophobicContact CG1-CD2 3.92Å; V447-Y456 HydrophobicContact CG1-CE2 4.39Å
457	D	95.6	Very high	90.9	Very high	29 Å²	29	50.8 Å²	50.8	16%	0.155	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	177	-165.8	-79.1	-54.2	0	0	0	111.4	R445 S446 T455 H496 N498	R445-D457 CarbonylContact C-O 3.46Å; R445-D457 WeakPolarHBondContact CA-O 3.38Å; S446-D457 PolarHBondContact N-O 3.3Å; S446-D457 PolarHBondContact O-N 2.91Å; T455-D457 WeakPolarHBondContact CB-OD2 3.28Å; D457-H496 WeakPolarHBondContact CB-O 3.29Å; D457-H496 WeakPolarHBondContact OD1-CA 3.39Å; D457-H496 IonicContact OD1-CG 3.59Å; D457-H496 IonicContact OD1-ND1 2.73Å; D457-H496 PolarHBondContact OD1-ND1 3.23Å; D457-N498 HydrophobicContact CB-CB 4.08Å; D457-N498 PolarHBondContact N-ND2 3.28Å
458	Y	97.5	Very high	89.9	Confident	21 Å²	21	54 Å²	54	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.3	-173.2	-70.6	-79.4	0	0	0	113.5	I413 L441 R445 H496 V497 N498	I413-Y458 HydrophobicContact CD1-CD2 3.62Å; I413-Y458 HydrophobicContact CD1-CE2 4.11Å; I413-Y458 HydrophobicContact CD1-CG 4.35Å; L441-Y458 HydrophobicContact CD1-CD1 4.14Å; L441-Y458 HydrophobicContact CD1-CG 4.03Å; R445-Y458 HydrophobicContact CG-CD1 4.08Å; R445-Y458 HydrophobicContact CG-CE1 4.08Å; R445-Y458 PolarHBondContact NH2-OH 3.18Å; Y458-H496 WeakPolarHBondContact CB-O 3.14Å; Y458-H496 HydrophobicContact CD2-CB 4.37Å; Y458-H496 PolarHBondContact N-O 2.82Å; Y458-V497 WeakPolarHBondContact O-CA 3.16Å; Y458-N498 PolarHBondContact O-N 3.3Å; Y458-N498 VanDerWaalsContact O-N 3.12Å
459	T	98.2	Very high	88.9	Confident	8 Å²	8	57 Å²	57	5%	0.049	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.8	164.4	-57.9	0	0	0	0	109.2	P442 I444 R499 V501	P442-T459 VanDerWaalsContact CD-O 3.24Å; P442-T459 WeakPolarHBondContact CD-O 3.46Å; P442-T459 WeakPolarHBondContact CG-O 3.44Å; I444-T459 PolarHBondContact O-N 3.22Å; T459-R499 CarbonylContact C-O 3.59Å; T459-R499 VanDerWaalsContact CA-O 3.31Å; T459-R499 WeakPolarHBondContact CA-O 3.17Å; T459-R499 HydrophobicContact CG2-CB 4.14Å; T459-R499 HydrophobicContact CG2-CG 4.07Å; T459-V501 HydrophobicContact CG2-CG1 3.95Å; T459-V501 HydrophobicContact CG2-CG2 4.2Å
460	V	98.6	Very high	88.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.9	172.1	170	0	0	0	0	109.4	I413 T439 L441 V497 R499 I500 V501	I413-V460 HydrophobicContact CG2-CG2 3.93Å; T439-V460 HydrophobicContact CG2-CG1 3.98Å; L441-V460 HydrophobicContact CD1-CG2 4.12Å; V460-V497 HydrophobicContact CB-CG1 4.22Å; V460-V497 HydrophobicContact CG2-CB 4.43Å; V460-V497 HydrophobicContact CG2-CG1 3.75Å; V460-V497 HydrophobicContact CG2-CG2 3.73Å; V460-R499 PolarHBondContact N-O 2.85Å; V460-I500 HydrophobicContact CB-CD1 3.92Å; V460-I500 HydrophobicContact CG1-CD1 4.47Å; V460-I500 WeakPolarHBondContact O-CA 3.19Å; V460-V501 PolarHBondContact O-N 3.2Å
461	G	98.4	Very high	87.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	139.5	169.3	0	0	0	0	0	111.1	T439 V440 V501	T439-G461 CarbonylContact C-O 3.53Å; T439-G461 VanDerWaalsContact CA-O 3.27Å; T439-G461 WeakPolarHBondContact CA-O 3.33Å; V440-G461 PolarHBondContact N-O 3.19Å; V440-G461 PolarHBondContact O-N 2.77Å; G461-V501 CarbonylContact C-O 3.54Å
462	I	98.7	Very high	87.6	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.4	166.6	-63.2	169.9	0	0	0	107.3	L421 T439 I486 I500 V501 Y502 D503	L421-I462 HydrophobicContact CD1-CG2 3.99Å; L421-I462 HydrophobicContact CD2-CG2 4.12Å; T439-I462 HydrophobicContact CG2-CG1 4.48Å; I462-I486 HydrophobicContact CD1-CG2 3.63Å; I462-I500 HydrophobicContact CD1-CG2 3.5Å; I462-I500 VanDerWaalsContact CD1-CG2 3.5Å; I462-I500 HydrophobicContact CG1-CG2 3.96Å; I462-V501 PolarHBondContact N-O 3.36Å; I462-Y502 HydrophobicContact CB-CD2 3.87Å; I462-Y502 HydrophobicContact CG2-CD2 3.71Å; I462-Y502 HydrophobicContact CG2-CE2 3.91Å; I462-Y502 VanDerWaalsContact O-CD2 3.26Å; I462-Y502 WeakPolarHBondContact O-CD2 3.39Å; I462-D503 PolarHBondContact O-N 2.8Å
463	R	98.4	Very high	88.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.3	171.1	179.6	56.3	166.1	170.3	-8.1	108.5	Y437 F438 D503 T505 T511 V512	Y437-R463 CarbonylContact C-O 3.52Å; Y437-R463 WeakPolarHBondContact CA-O 3.22Å; F438-R463 HydrophobicContact CD2-CB 4.04Å; F438-R463 HydrophobicContact CE1-CB 4.21Å; F438-R463 HydrophobicContact CE1-CG 3.85Å; F438-R463 HydrophobicContact CE2-CB 3.63Å; F438-R463 HydrophobicContact CE2-CG 3.87Å; F438-R463 HydrophobicContact CG-CB 4.49Å; F438-R463 HydrophobicContact CZ-CB 3.72Å; F438-R463 HydrophobicContact CZ-CG 3.42Å; F438-R463 VanDerWaalsContact CZ-CG 3.42Å; F438-R463 PolarHBondContact N-O 3.34Å; F438-R463 PolarHBondContact O-N 3.23Å; R463-D503 WeakPolarHBondContact CD-OD2 3.35Å; R463-D503 IonicContact CZ-OD2 3.44Å; R463-D503 IonicContact NE-OD2 3.39Å; R463-D503 PolarHBondContact NH1-O 2.89Å; R463-D503 IonicContact NH1-OD1 2.7Å; R463-D503 IonicContact NH1-OD2 2.69Å; R463-T505 VanDerWaalsContact CZ-O 3.22Å; R463-T505 PolarHBondContact NH1-O 3.46Å; R463-T505 PolarHBondContact NH2-O 3.11Å; R463-T511 PolarHBondContact NH2-O 2.93Å; R463-T511 VanDerWaalsContact NH2-O 3.08Å; R463-V512 WeakPolarHBondContact CG-O 3.25Å; R463-V512 PolarHBondContact NE-O 3.31Å
464	A	97.9	Very high	88.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.9	172.3	0	0	0	0	0	109.4	I434 Q436 F475 A476 I478 Y502	I434-A464 HydrophobicContact CG2-CB 3.98Å; Q436-A464 WeakPolarHBondContact O-CA 3.07Å; A464-F475 WeakPolarHBondContact O-CA 3.43Å; A464-A476 HydrophobicContact CB-CB 3.84Å; A464-A476 PolarHBondContact O-N 3.15Å; A464-I478 HydrophobicContact CB-CD1 3.66Å; A464-I478 HydrophobicContact CB-CG1 4.45Å; A464-Y502 HydrophobicContact CB-CE2 4.07Å; A464-Y502 PolarHBondContact O-OH 3.44Å
465	V	95.9	Very high	89	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149.7	-175.9	-58.6	0	0	0	0	112.2	I434 W435 Q436 A473 D474 V512	I434-V465 WeakPolarHBondContact CG2-O 3.48Å; W435-V465 WeakPolarHBondContact CB-O 3.33Å; W435-V465 HydrophobicContact CE3-CG2 3.77Å; W435-V465 HydrophobicContact CZ3-CG2 4.29Å; W435-V465 PolarHBondContact N-O 3.48Å; Q436-V465 HydrophobicContact CB-CG2 4.24Å; Q436-V465 PolarHBondContact N-O 3.2Å; Q436-V465 PolarHBondContact O-N 3.46Å; V465-A473 HydrophobicContact CB-CB 4.05Å; V465-A473 HydrophobicContact CG1-CB 4.49Å; V465-A473 HydrophobicContact CG2-CB 4.27Å; V465-D474 CarbonylContact C-O 3.55Å; V465-D474 WeakPolarHBondContact CA-O 3.3Å; V465-D474 WeakPolarHBondContact CB-O 3.3Å; V465-V512 HydrophobicContact CG1-CG1 4.45Å; V465-V512 HydrophobicContact CG2-CG1 3.84Å; V465-V512 HydrophobicContact CG2-CG2 4.25Å
466	T	93.6	Very high	89.3	Confident	57 Å²	57	40 Å²	40	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.4	167.6	54	0	0	0	0	109	A473 D474 A476	T466-A473 WeakPolarHBondContact O-CA 3.35Å; T466-D474 PolarHBondContact N-O 2.75Å; T466-D474 PolarHBondContact O-N 2.81Å; T466-D474 VanDerWaalsContact O-N 3.1Å; T466-A476 HydrophobicContact CG2-CB 4.28Å
467	S	85.8	Confident	89.5	Confident	25 Å²	25	43.2 Å²	43.2	18%	0.175	22%	0.22	C	C	.	.			trans	-153.6	157.9	-179.9	-172.8	0	0	0	0	110.6	D469 G470 T472	S467-D469 PolarHBondContact OG-N 3Å; S467-G470 VanDerWaalsContact OG-CA 3.28Å; S467-G470 WeakPolarHBondContact OG-CA 3.25Å; S467-G470 PolarHBondContact OG-N 3.23Å; S467-T472 WeakPolarHBondContact CB-O 3.38Å; S467-T472 PolarHBondContact OG-O 3.24Å
468	I	71.5	Confident	89.6	Confident	134 Å²	134	42.2 Å²	42.2	69%	0.687	22%	0.215	S	C	*	.	S	Bend	trans	-97	-40.9	173.8	-58.5	175.4	0	0	0	110.4
469	D	68.6	Low	89.6	Confident	76 Å²	76	43.8 Å²	43.8	41%	0.406	23%	0.228	S	C	.	.	S	Bend	trans	-131.6	-2.3	-169.5	59	15.8	0	0	0	114.1	S467 M471	S467-D469 PolarHBondContact OG-N 3Å; D469-M471 HydrophobicContact CB-CE 4.41Å; D469-M471 PolarHBondContact O-N 3.17Å; D469-M471 WeakPolarHBondContact OD1-CB 3.4Å; D469-M471 PolarHBondContact OD1-N 2.71Å; D469-M471 WeakPolarHBondContact OD2-CE 3.38Å
470	G	72.7	Confident	89.6	Confident	14 Å²	14	53.4 Å²	53.4	14%	0.144	26%	0.263	C	S	.	.	S	Bend	trans	74.1	-3.5	-175.7	0	0	0	0	0	114.8	S467 K507	S467-G470 VanDerWaalsContact OG-CA 3.28Å; S467-G470 WeakPolarHBondContact OG-CA 3.25Å; S467-G470 PolarHBondContact OG-N 3.23Å; G470-K507 PolarHBondContact O-NZ 3.49Å
471	M	70.6	Confident	89.5	Confident	131 Å²	131	58.6 Å²	58.6	65%	0.645	29%	0.291	S	S	*	.	S	Bend	trans	-77.2	-41.4	177.6	-66.8	-163.3	-76.6	0	0	111.2	D469 K507	D469-M471 HydrophobicContact CB-CE 4.41Å; D469-M471 PolarHBondContact O-N 3.17Å; D469-M471 WeakPolarHBondContact OD1-CB 3.4Å; D469-M471 PolarHBondContact OD1-N 2.71Å; D469-M471 WeakPolarHBondContact OD2-CE 3.38Å; M471-K507 WeakPolarHBondContact O-CE 3.42Å
472	T	72.7	Confident	89.5	Confident	90 Å²	90	59.4 Å²	59.4	55%	0.552	30%	0.296	S	S	*	.	S	Bend	trans	-123.4	146.2	169.1	58.8	0	0	0	0	109.8	S467	S467-T472 WeakPolarHBondContact CB-O 3.38Å; S467-T472 PolarHBondContact OG-O 3.24Å
473	A	86.8	Confident	89.5	Confident	7 Å²	7	60 Å²	60	6%	0.058	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-151.6	139.9	-179.5	0	0	0	0	0	111	V465 T466 S506 K507 V512	V465-A473 HydrophobicContact CB-CB 4.05Å; V465-A473 HydrophobicContact CG1-CB 4.49Å; V465-A473 HydrophobicContact CG2-CB 4.27Å; T466-A473 WeakPolarHBondContact O-CA 3.35Å; A473-S506 WeakPolarHBondContact O-CB 3.38Å; A473-K507 HydrophobicContact CB-CB 4.19Å; A473-K507 PolarHBondContact N-O 2.91Å; A473-K507 VanDerWaalsContact N-O 3.07Å; A473-K507 PolarHBondContact O-N 3.48Å; A473-V512 HydrophobicContact CB-CG2 4.24Å
474	D	88.7	Confident	89.5	Confident	56 Å²	56	66.5 Å²	66.5	30%	0.299	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	153.9	168.3	-160.9	20.4	0	0	0	110	V465 T466 S506	V465-D474 CarbonylContact C-O 3.55Å; V465-D474 WeakPolarHBondContact CA-O 3.3Å; V465-D474 WeakPolarHBondContact CB-O 3.3Å; T466-D474 PolarHBondContact N-O 2.75Å; T466-D474 PolarHBondContact O-N 2.81Å; T466-D474 VanDerWaalsContact O-N 3.1Å; D474-S506 PolarHBondContact OD1-OG 3.11Å
475	F	95.2	Very high	89.6	Confident	51 Å²	51	71.4 Å²	71.4	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.3	173.3	72.8	-85	0	0	0	109.5	A464 R477 Y502 I504	A464-F475 WeakPolarHBondContact O-CA 3.43Å; F475-R477 HydrophobicContact CE2-CG 4.15Å; F475-R477 PolarHBondContact O-N 3.03Å; F475-Y502 HydrophobicContact CD2-CE1 4.11Å; F475-I504 HydrophobicContact CD1-CB 4.35Å; F475-I504 VanDerWaalsContact CD1-O 3.26Å; F475-I504 WeakPolarHBondContact CD1-O 3.36Å; F475-I504 HydrophobicContact CD2-CB 4.14Å; F475-I504 HydrophobicContact CD2-CG2 4.04Å; F475-I504 HydrophobicContact CE1-CB 4.46Å; F475-I504 HydrophobicContact CE2-CB 4.26Å; F475-I504 HydrophobicContact CE2-CG2 4.1Å; F475-I504 HydrophobicContact CG-CB 4.2Å; F475-I504 HydrophobicContact CZ-CB 4.41Å
476	A	96.8	Very high	89.7	Confident	2 Å²	2	71.4 Å²	71.4	2%	0.017	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-68.5	135	-179.3	0	0	0	0	0	110.3	I434 A464 T466 I478 Y502	I434-A476 HydrophobicContact CD1-CB 4.2Å; I434-A476 HydrophobicContact CG1-CB 4.08Å; I434-A476 HydrophobicContact CG2-CB 3.99Å; A464-A476 HydrophobicContact CB-CB 3.84Å; A464-A476 PolarHBondContact O-N 3.15Å; T466-A476 HydrophobicContact CG2-CB 4.28Å; A476-I478 HydrophobicContact CB-CG1 4.09Å; A476-I478 PolarHBondContact O-N 3.39Å; A476-Y502 PolarHBondContact N-OH 2.97Å; A476-Y502 PolarHBondContact O-OH 2.81Å
477	R	96.4	Very high	89.9	Confident	204 Å²	204	70.6 Å²	70.6	77%	0.77	35%	0.347	S	S	*	.			trans	-86.4	65.6	175	-63.6	-178.5	-170.5	160	6	110.2	F475	F475-R477 HydrophobicContact CE2-CG 4.15Å; F475-R477 PolarHBondContact O-N 3.03Å
478	I	98	Very high	90.5	Very high	9 Å²	9	72.9 Å²	72.9	5%	0.046	36%	0.36	C	S	.	.			trans	-59.6	132	177.7	-55.5	173.9	0	0	0	108.3	I425 L430 I434 A464 A476 W480 V482 L483 Y502	I425-I478 HydrophobicContact CD1-CD1 4.04Å; I425-I478 HydrophobicContact CD1-CG2 4.23Å; L430-I478 HydrophobicContact CD1-CG2 4.34Å; I434-I478 HydrophobicContact CD1-CD1 4.17Å; I434-I478 HydrophobicContact CD1-CG1 3.84Å; A464-I478 HydrophobicContact CB-CD1 3.66Å; A464-I478 HydrophobicContact CB-CG1 4.45Å; A476-I478 HydrophobicContact CB-CG1 4.09Å; A476-I478 PolarHBondContact O-N 3.39Å; I478-W480 PolarHBondContact O-N 3.26Å; I478-V482 HydrophobicContact CG2-CB 3.99Å; I478-V482 HydrophobicContact CG2-CG1 3.9Å; I478-L483 HydrophobicContact CB-CD1 4.14Å; I478-L483 HydrophobicContact CB-CD2 4.19Å; I478-L483 HydrophobicContact CB-CG 3.87Å; I478-L483 HydrophobicContact CD1-CD2 4.1Å; I478-L483 HydrophobicContact CG2-CD2 4.19Å; I478-L483 HydrophobicContact CG2-CG 3.79Å; I478-Y502 HydrophobicContact CD1-CE2 4.11Å
479	P	98	Very high	91.8	Very high	54 Å²	54	68.3 Å²	68.3	35%	0.351	33%	0.334	S	S	.	.			trans	-51.9	137.1	175.2	-26.7	35	0	0	0	112.1	L430 D481 V482 L483	L430-P479 HydrophobicContact CD1-CG 4.45Å; P479-D481 WeakPolarHBondContact CB-OD1 3.35Å; P479-D481 PolarHBondContact O-N 2.92Å; P479-V482 HydrophobicContact CB-CB 4.37Å; P479-V482 HydrophobicContact CB-CG2 4.02Å; P479-V482 HydrophobicContact CG-CG2 4.31Å; P479-V482 WeakPolarHBondContact O-CB 3.45Å; P479-V482 PolarHBondContact O-N 3.42Å; P479-V482 VanDerWaalsContact O-N 3.07Å; P479-L483 PolarHBondContact O-N 3.35Å
480	W	97.9	Very high	93.2	Very high	209 Å²	209	64.7 Å²	64.7	79%	0.792	32%	0.315	S	S	*	.	H	α-helix	trans	-61.3	-32.8	-174.2	-70.4	111.3	0	0	0	113.3	I478 L483 Q484	I478-W480 PolarHBondContact O-N 3.26Å; W480-L483 HydrophobicContact CE3-CD1 3.96Å; W480-L483 HydrophobicContact CZ3-CD1 4.13Å; W480-L483 PolarHBondContact O-N 2.81Å; W480-Q484 VanDerWaalsContact O-CB 3.32Å; W480-Q484 WeakPolarHBondContact O-CB 3.42Å; W480-Q484 PolarHBondContact O-N 2.68Å
481	D	98	Very high	94.3	Very high	109 Å²	109	65.7 Å²	65.7	58%	0.583	32%	0.318	S	S	*	.	H	α-helix	trans	-67	-39.9	175.1	59.9	-50.9	0	0	0	111.9	P479 Q484 K485	P479-D481 WeakPolarHBondContact CB-OD1 3.35Å; P479-D481 PolarHBondContact O-N 2.92Å; D481-Q484 PolarHBondContact O-N 3.16Å; D481-K485 WeakPolarHBondContact O-CB 3.45Å; D481-K485 PolarHBondContact O-N 3Å
482	V	98.3	Very high	95.5	Very high	17 Å²	17	65.2 Å²	65.2	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-46	173.6	178.5	0	0	0	0	110.2	I425 A428 I478 P479 Q484 K485 I486	I425-V482 HydrophobicContact CD1-CG1 4.44Å; A428-V482 HydrophobicContact CB-CG1 4.14Å; A428-V482 HydrophobicContact CB-CG2 3.96Å; I478-V482 HydrophobicContact CG2-CB 3.99Å; I478-V482 HydrophobicContact CG2-CG1 3.9Å; P479-V482 HydrophobicContact CB-CB 4.37Å; P479-V482 HydrophobicContact CB-CG2 4.02Å; P479-V482 HydrophobicContact CG-CG2 4.31Å; P479-V482 WeakPolarHBondContact O-CB 3.45Å; P479-V482 PolarHBondContact O-N 3.42Å; P479-V482 VanDerWaalsContact O-N 3.07Å; V482-Q484 VanDerWaalsContact C-N 3.33Å; V482-Q484 PolarHBondContact O-N 2.99Å; V482-K485 PolarHBondContact O-N 3.29Å; V482-I486 HydrophobicContact CG1-CD1 3.88Å; V482-I486 WeakPolarHBondContact O-CD1 3.41Å; V482-I486 WeakPolarHBondContact O-CG1 3.35Å; V482-I486 PolarHBondContact O-N 3.18Å
483	L	98.5	Very high	96.7	Very high	16 Å²	16	66 Å²	66	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-42.2	174.3	-79.8	172.5	0	0	0	112.4	I478 P479 W480 I486 S487 Y502	I478-L483 HydrophobicContact CB-CD1 4.14Å; I478-L483 HydrophobicContact CB-CD2 4.19Å; I478-L483 HydrophobicContact CB-CG 3.87Å; I478-L483 HydrophobicContact CD1-CD2 4.1Å; I478-L483 HydrophobicContact CG2-CD2 4.19Å; I478-L483 HydrophobicContact CG2-CG 3.79Å; P479-L483 PolarHBondContact O-N 3.35Å; W480-L483 HydrophobicContact CE3-CD1 3.96Å; W480-L483 HydrophobicContact CZ3-CD1 4.13Å; W480-L483 PolarHBondContact O-N 2.81Å; L483-I486 PolarHBondContact O-N 2.92Å; L483-S487 WeakPolarHBondContact O-CB 3.11Å; L483-S487 PolarHBondContact O-N 3.35Å; L483-Y502 HydrophobicContact CD1-CD1 4.1Å; L483-Y502 HydrophobicContact CD1-CE1 4.39Å; L483-Y502 HydrophobicContact CD1-CG 4.49Å; L483-Y502 HydrophobicContact CD2-CD2 4.25Å; L483-Y502 HydrophobicContact CD2-CG 4.29Å
484	Q	98.4	Very high	97.2	Very high	136 Å²	136	66.2 Å²	66.2	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-62.2	-44.5	176.3	-176.6	178.7	11.5	0	0	110.9	W480 D481 V482 S487 V488	W480-Q484 VanDerWaalsContact O-CB 3.32Å; W480-Q484 WeakPolarHBondContact O-CB 3.42Å; W480-Q484 PolarHBondContact O-N 2.68Å; D481-Q484 PolarHBondContact O-N 3.16Å; V482-Q484 VanDerWaalsContact C-N 3.33Å; V482-Q484 PolarHBondContact O-N 2.99Å; Q484-S487 PolarHBondContact O-N 3.14Å; Q484-V488 VanDerWaalsContact O-CG2 3.32Å; Q484-V488 WeakPolarHBondContact O-CG2 3.11Å; Q484-V488 PolarHBondContact O-N 3.3Å
485	K	98.5	Very high	97.5	Very high	102 Å²	102	66.8 Å²	66.8	44%	0.443	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-47.8	177.9	-170.9	179.7	178.3	-155.9	0	111.7	E424 D481 V482 S487 V488 R489	E424-K485 VanDerWaalsContact CD-CE 3.48Å; E424-K485 VanDerWaalsContact OE1-CE 3.3Å; E424-K485 WeakPolarHBondContact OE1-CE 3.44Å; E424-K485 IonicContact OE1-NZ 2.81Å; E424-K485 PolarHBondContact OE1-NZ 3.39Å; E424-K485 VanDerWaalsContact OE2-CD 3.24Å; E424-K485 WeakPolarHBondContact OE2-CD 3.48Å; E424-K485 WeakPolarHBondContact OE2-CE 3.35Å; E424-K485 IonicContact OE2-NZ 3.44Å; E424-K485 PolarHBondContact OE2-NZ 2.97Å; D481-K485 WeakPolarHBondContact O-CB 3.45Å; D481-K485 PolarHBondContact O-N 3Å; V482-K485 PolarHBondContact O-N 3.29Å; K485-S487 VanDerWaalsContact C-N 3.32Å; K485-S487 PolarHBondContact O-N 2.98Å; K485-V488 PolarHBondContact O-N 3.47Å; K485-R489 WeakPolarHBondContact O-CG 3.4Å; K485-R489 PolarHBondContact O-N 3.15Å
486	I	98.6	Very high	97.4	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56	-48.9	174.2	-67.2	157.3	0	0	0	110.2	L421 E424 I425 I462 V482 L483 V488 R489 I490	L421-I486 HydrophobicContact CD1-CD1 3.7Å; L421-I486 HydrophobicContact CD1-CG1 4.35Å; L421-I486 HydrophobicContact CD1-CG2 4.06Å; E424-I486 HydrophobicContact CB-CD1 4.24Å; E424-I486 HydrophobicContact CB-CG1 3.51Å; E424-I486 HydrophobicContact CG-CG1 4.01Å; I425-I486 HydrophobicContact CD1-CD1 4.2Å; I462-I486 HydrophobicContact CD1-CG2 3.63Å; V482-I486 HydrophobicContact CG1-CD1 3.88Å; V482-I486 WeakPolarHBondContact O-CD1 3.41Å; V482-I486 WeakPolarHBondContact O-CG1 3.35Å; V482-I486 PolarHBondContact O-N 3.18Å; L483-I486 PolarHBondContact O-N 2.92Å; I486-V488 VanDerWaalsContact C-N 3.34Å; I486-V488 PolarHBondContact O-N 3.08Å; I486-R489 PolarHBondContact O-N 3.42Å; I486-I490 HydrophobicContact CG2-CD1 3.58Å; I486-I490 HydrophobicContact CG2-CG1 4.26Å; I486-I490 WeakPolarHBondContact O-CG1 3.47Å; I486-I490 PolarHBondContact O-N 3.12Å
487	S	98.4	Very high	97.4	Very high	40 Å²	40	69 Å²	69	28%	0.28	34%	0.339	S	S	.	.	H	α-helix	trans	-60.5	-43.4	-178.1	179.3	0	0	0	0	112.4	L483 Q484 K485 V491	L483-S487 WeakPolarHBondContact O-CB 3.11Å; L483-S487 PolarHBondContact O-N 3.35Å; Q484-S487 PolarHBondContact O-N 3.14Å; K485-S487 VanDerWaalsContact C-N 3.32Å; K485-S487 PolarHBondContact O-N 2.98Å; S487-V491 WeakPolarHBondContact O-CB 3.42Å; S487-V491 VanDerWaalsContact O-CG2 3.22Å; S487-V491 WeakPolarHBondContact O-CG2 3.33Å; S487-V491 PolarHBondContact O-N 3.04Å
488	V	97.8	Very high	97.4	Very high	73 Å²	73	60 Å²	60	44%	0.442	31%	0.307	S	S	.	.	H	α-helix	trans	-66.1	-45.2	179.7	168.9	0	0	0	0	110.5	Q484 K485 I486 N492	Q484-V488 VanDerWaalsContact O-CG2 3.32Å; Q484-V488 WeakPolarHBondContact O-CG2 3.11Å; Q484-V488 PolarHBondContact O-N 3.3Å; K485-V488 PolarHBondContact O-N 3.47Å; I486-V488 VanDerWaalsContact C-N 3.34Å; I486-V488 PolarHBondContact O-N 3.08Å; V488-N492 WeakPolarHBondContact CG1-ND2 3.47Å; V488-N492 WeakPolarHBondContact O-CB 3.48Å; V488-N492 VanDerWaalsContact O-CG 3.22Å; V488-N492 PolarHBondContact O-N 2.65Å; V488-N492 PolarHBondContact O-ND2 2.71Å; V488-N492 VanDerWaalsContact O-ND2 3.17Å
489	R	98.4	Very high	97.4	Very high	39 Å²	39	65 Å²	65	15%	0.147	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-50.4	178.6	-74.1	-165.4	64.4	-159.2	-8.5	112.2	I420 E423 E424 K485 I486 V491 N492 E493	I420-R489 HydrophobicContact CG2-CB 3.54Å; E423-R489 IonicContact OE1-NH1 3.92Å; E423-R489 PolarHBondContact OE1-NH1 3.47Å; E423-R489 IonicContact OE2-CZ 3.85Å; E423-R489 IonicContact OE2-NH1 3.1Å; E423-R489 PolarHBondContact OE2-NH1 3.06Å; E423-R489 IonicContact OE2-NH2 3.68Å; E423-R489 PolarHBondContact OE2-NH2 3.07Å; E424-R489 WeakPolarHBondContact OE1-CD 3.33Å; E424-R489 IonicContact OE1-CZ 3.06Å; E424-R489 IonicContact OE1-NE 2.64Å; E424-R489 IonicContact OE1-NH1 3.85Å; E424-R489 PolarHBondContact OE1-NH1 3.45Å; K485-R489 WeakPolarHBondContact O-CG 3.4Å; K485-R489 PolarHBondContact O-N 3.15Å; I486-R489 PolarHBondContact O-N 3.42Å; R489-V491 VanDerWaalsContact C-N 3.32Å; R489-V491 PolarHBondContact O-N 3.5Å; R489-N492 PolarHBondContact O-N 3.1Å; R489-E493 VanDerWaalsContact CB-OE1 3.32Å; R489-E493 WeakPolarHBondContact CB-OE1 3.41Å; R489-E493 VanDerWaalsContact CG-OE1 3.27Å; R489-E493 WeakPolarHBondContact CG-OE1 3.46Å; R489-E493 IonicContact CZ-OE1 3.93Å; R489-E493 IonicContact CZ-OE2 2.69Å; R489-E493 IonicContact NE-OE1 3.74Å; R489-E493 PolarHBondContact NE-OE1 2.86Å; R489-E493 IonicContact NE-OE2 3.31Å; R489-E493 IonicContact NH2-OE1 3.55Å; R489-E493 IonicContact NH2-OE2 2.69Å; R489-E493 PolarHBondContact NH2-OE2 2.88Å; R489-E493 VanDerWaalsContact O-CB 3.24Å; R489-E493 WeakPolarHBondContact O-CB 3.36Å; R489-E493 WeakPolarHBondContact O-CG 3.44Å; R489-E493 PolarHBondContact O-N 3.01Å
490	I	98.3	Very high	97.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-45.6	-179.5	-65	172.4	0	0	0	110.9	I420 T439 I486 N492 V494 V497 I500	I420-I490 HydrophobicContact CB-CG1 4.04Å; I420-I490 HydrophobicContact CD1-CG1 4.28Å; I420-I490 HydrophobicContact CG2-CG1 3.78Å; T439-I490 HydrophobicContact CG2-CD1 4.4Å; I486-I490 HydrophobicContact CG2-CD1 3.58Å; I486-I490 HydrophobicContact CG2-CG1 4.26Å; I486-I490 WeakPolarHBondContact O-CG1 3.47Å; I486-I490 PolarHBondContact O-N 3.12Å; I490-N492 VanDerWaalsContact C-N 3.32Å; I490-N492 PolarHBondContact O-N 3.45Å; I490-V494 HydrophobicContact CG2-CB 4.27Å; I490-V494 HydrophobicContact CG2-CG2 3.97Å; I490-V494 VanDerWaalsContact O-CB 3.24Å; I490-V494 WeakPolarHBondContact O-CB 3.17Å; I490-V494 WeakPolarHBondContact O-CG2 3.33Å; I490-V494 PolarHBondContact O-N 3.05Å; I490-V497 HydrophobicContact CG2-CB 4.49Å; I490-V497 HydrophobicContact CG2-CG1 3.92Å; I490-I500 HydrophobicContact CB-CD1 3.9Å; I490-I500 HydrophobicContact CD1-CD1 4.31Å; I490-I500 HydrophobicContact CG2-CD1 3.52Å
491	V	96.9	Very high	97.4	Very high	34 Å²	34	56.9 Å²	56.9	21%	0.206	30%	0.296	C	S	.	.	H	α-helix	trans	-66.5	-31.8	-178.7	170.4	0	0	0	0	112.8	M450 S487 R489 I500	M450-V491 HydrophobicContact CE-CG1 3.31Å; S487-V491 WeakPolarHBondContact O-CB 3.42Å; S487-V491 VanDerWaalsContact O-CG2 3.22Å; S487-V491 WeakPolarHBondContact O-CG2 3.33Å; S487-V491 PolarHBondContact O-N 3.04Å; R489-V491 VanDerWaalsContact C-N 3.32Å; R489-V491 PolarHBondContact O-N 3.5Å; V491-I500 HydrophobicContact CG2-CD1 4.26Å; V491-I500 HydrophobicContact CG2-CG1 3.79Å
492	N	95.7	Very high	97.4	Very high	121 Å²	121	53.8 Å²	53.8	65%	0.647	28%	0.276	S	S	*	.	H	α-helix	trans	-89	-30.2	-178.3	-70.3	-24.8	0	0	0	113.5	V488 R489 I490	V488-N492 WeakPolarHBondContact CG1-ND2 3.47Å; V488-N492 WeakPolarHBondContact O-CB 3.48Å; V488-N492 VanDerWaalsContact O-CG 3.22Å; V488-N492 PolarHBondContact O-N 2.65Å; V488-N492 PolarHBondContact O-ND2 2.71Å; V488-N492 VanDerWaalsContact O-ND2 3.17Å; R489-N492 PolarHBondContact O-N 3.1Å; I490-N492 VanDerWaalsContact C-N 3.32Å; I490-N492 PolarHBondContact O-N 3.45Å
493	E	97.4	Very high	97.4	Very high	108 Å²	108	53.9 Å²	53.9	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-103	-27.7	-170.8	-63.7	169.6	-134.6	0	0	112.6	I420 R489	I420-E493 HydrophobicContact CD1-CB 3.8Å; R489-E493 VanDerWaalsContact CB-OE1 3.32Å; R489-E493 WeakPolarHBondContact CB-OE1 3.41Å; R489-E493 VanDerWaalsContact CG-OE1 3.27Å; R489-E493 WeakPolarHBondContact CG-OE1 3.46Å; R489-E493 IonicContact CZ-OE1 3.93Å; R489-E493 IonicContact CZ-OE2 2.69Å; R489-E493 IonicContact NE-OE1 3.74Å; R489-E493 PolarHBondContact NE-OE1 2.86Å; R489-E493 IonicContact NE-OE2 3.31Å; R489-E493 IonicContact NH2-OE1 3.55Å; R489-E493 IonicContact NH2-OE2 2.69Å; R489-E493 PolarHBondContact NH2-OE2 2.88Å; R489-E493 VanDerWaalsContact O-CB 3.24Å; R489-E493 WeakPolarHBondContact O-CB 3.36Å; R489-E493 WeakPolarHBondContact O-CG 3.44Å; R489-E493 PolarHBondContact O-N 3.01Å
494	V	97.2	Very high	97.4	Very high	10 Å²	10	58.1 Å²	58.1	6%	0.061	30%	0.298	C	S	.	.	S	Bend	trans	-98.1	118	-177.3	-171.4	0	0	0	0	110.5	I413 E416 I420 I490 V497	I413-V494 HydrophobicContact CG2-CG1 4.43Å; E416-V494 HydrophobicContact CB-CG1 3.99Å; E416-V494 HydrophobicContact CB-CG2 3.88Å; I420-V494 HydrophobicContact CD1-CG2 3.68Å; I490-V494 HydrophobicContact CG2-CB 4.27Å; I490-V494 HydrophobicContact CG2-CG2 3.97Å; I490-V494 VanDerWaalsContact O-CB 3.24Å; I490-V494 WeakPolarHBondContact O-CB 3.17Å; I490-V494 WeakPolarHBondContact O-CG2 3.33Å; I490-V494 PolarHBondContact O-N 3.05Å; V494-V497 HydrophobicContact CB-CB 4.46Å; V494-V497 HydrophobicContact CB-CG2 4.2Å; V494-V497 HydrophobicContact CG1-CG2 3.76Å
495	A	93.9	Very high	97	Very high	69 Å²	69	54.3 Å²	54.3	57%	0.57	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	146.4	175.3	0	0	0	0	0	111.3	V497	A495-V497 PolarHBondContact O-N 2.85Å
496	H	94	Very high	96.5	Very high	96 Å²	96	51.2 Å²	51.2	44%	0.444	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	25.3	177.4	-57.4	-63.8	0	0	0	115.8	I413 D457 Y458	I413-H496 HydrophobicContact CD1-CB 4.09Å; D457-H496 WeakPolarHBondContact CB-O 3.29Å; D457-H496 WeakPolarHBondContact OD1-CA 3.39Å; D457-H496 IonicContact OD1-CG 3.59Å; D457-H496 IonicContact OD1-ND1 2.73Å; D457-H496 PolarHBondContact OD1-ND1 3.23Å; Y458-H496 WeakPolarHBondContact CB-O 3.14Å; Y458-H496 HydrophobicContact CD2-CB 4.37Å; Y458-H496 PolarHBondContact N-O 2.82Å
497	V	96.7	Very high	95.8	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.8	171.2	-178.8	0	0	0	0	110.1	I413 M450 Y458 V460 I490 V494 A495 I500	I413-V497 HydrophobicContact CG2-CG2 3.47Å; I413-V497 VanDerWaalsContact CG2-CG2 3.47Å; M450-V497 VanDerWaalsContact CE-O 3.3Å; M450-V497 WeakPolarHBondContact CE-O 3.44Å; Y458-V497 WeakPolarHBondContact O-CA 3.16Å; V460-V497 HydrophobicContact CB-CG1 4.22Å; V460-V497 HydrophobicContact CG2-CB 4.43Å; V460-V497 HydrophobicContact CG2-CG1 3.75Å; V460-V497 HydrophobicContact CG2-CG2 3.73Å; I490-V497 HydrophobicContact CG2-CB 4.49Å; I490-V497 HydrophobicContact CG2-CG1 3.92Å; V494-V497 HydrophobicContact CB-CB 4.46Å; V494-V497 HydrophobicContact CB-CG2 4.2Å; V494-V497 HydrophobicContact CG1-CG2 3.76Å; A495-V497 PolarHBondContact O-N 2.85Å; V497-I500 HydrophobicContact CG1-CD1 3.86Å
498	N	96.1	Very high	94.7	Very high	16 Å²	16	57 Å²	57	9%	0.086	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	3.9	178.8	74	2.8	0	0	0	115	S446 G448 M450 T455 D457 Y458	S446-N498 PolarHBondContact O-ND2 3.26Å; S446-N498 PolarHBondContact O-OD1 3.22Å; G448-N498 PolarHBondContact N-ND2 2.86Å; M450-N498 HydrophobicContact CE-CB 3.45Å; M450-N498 VanDerWaalsContact CE-CB 3.45Å; M450-N498 HydrophobicContact SD-CB 3.8Å; T455-N498 PolarHBondContact OG1-ND2 2.89Å; T455-N498 VanDerWaalsContact OG1-ND2 3.08Å; D457-N498 HydrophobicContact CB-CB 4.08Å; D457-N498 PolarHBondContact N-ND2 3.28Å; Y458-N498 PolarHBondContact O-N 3.3Å; Y458-N498 VanDerWaalsContact O-N 3.12Å
499	R	97.5	Very high	94.1	Very high	114 Å²	114	59.3 Å²	59.3	43%	0.43	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.9	-179.9	-171.2	168	-61.7	-124.6	2	110.9	S446 V447 T459 V460	S446-R499 PolarHBondContact OG-NE 2.88Å; S446-R499 PolarHBondContact OG-NH2 2.87Å; V447-R499 PolarHBondContact O-NH2 2.9Å; V447-R499 VanDerWaalsContact O-NH2 3.11Å; T459-R499 CarbonylContact C-O 3.59Å; T459-R499 VanDerWaalsContact CA-O 3.31Å; T459-R499 WeakPolarHBondContact CA-O 3.17Å; T459-R499 HydrophobicContact CG2-CB 4.14Å; T459-R499 HydrophobicContact CG2-CG 4.07Å; V460-R499 PolarHBondContact N-O 2.85Å
500	I	98.2	Very high	93.7	Very high	30 Å²	30	59.1 Å²	59.1	15%	0.154	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.4	178	-52.7	-61.9	0	0	0	108.7	V460 I462 I490 V491 V497	V460-I500 HydrophobicContact CB-CD1 3.92Å; V460-I500 HydrophobicContact CG1-CD1 4.47Å; V460-I500 WeakPolarHBondContact O-CA 3.19Å; I462-I500 HydrophobicContact CD1-CG2 3.5Å; I462-I500 VanDerWaalsContact CD1-CG2 3.5Å; I462-I500 HydrophobicContact CG1-CG2 3.96Å; I490-I500 HydrophobicContact CB-CD1 3.9Å; I490-I500 HydrophobicContact CD1-CD1 4.31Å; I490-I500 HydrophobicContact CG2-CD1 3.52Å; V491-I500 HydrophobicContact CG2-CD1 4.26Å; V491-I500 HydrophobicContact CG2-CG1 3.79Å; V497-I500 HydrophobicContact CG1-CD1 3.86Å
501	V	98.3	Very high	93.4	Very high	62 Å²	62	63.2 Å²	63.2	38%	0.376	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.6	171.9	-61.2	0	0	0	0	109.8	T459 V460 G461 I462	T459-V501 HydrophobicContact CG2-CG1 3.95Å; T459-V501 HydrophobicContact CG2-CG2 4.2Å; V460-V501 PolarHBondContact O-N 3.2Å; G461-V501 CarbonylContact C-O 3.54Å; I462-V501 PolarHBondContact N-O 3.36Å
502	Y	98.6	Very high	93.2	Very high	45 Å²	45	62.2 Å²	62.2	18%	0.176	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.4	177.3	-175	-129.6	0	0	0	110.7	I462 A464 F475 A476 I478 L483 I504	I462-Y502 HydrophobicContact CB-CD2 3.87Å; I462-Y502 HydrophobicContact CG2-CD2 3.71Å; I462-Y502 HydrophobicContact CG2-CE2 3.91Å; I462-Y502 VanDerWaalsContact O-CD2 3.26Å; I462-Y502 WeakPolarHBondContact O-CD2 3.39Å; A464-Y502 HydrophobicContact CB-CE2 4.07Å; A464-Y502 PolarHBondContact O-OH 3.44Å; F475-Y502 HydrophobicContact CD2-CE1 4.11Å; A476-Y502 PolarHBondContact N-OH 2.97Å; A476-Y502 PolarHBondContact O-OH 2.81Å; I478-Y502 HydrophobicContact CD1-CE2 4.11Å; L483-Y502 HydrophobicContact CD1-CD1 4.1Å; L483-Y502 HydrophobicContact CD1-CE1 4.39Å; L483-Y502 HydrophobicContact CD1-CG 4.49Å; L483-Y502 HydrophobicContact CD2-CD2 4.25Å; L483-Y502 HydrophobicContact CD2-CG 4.29Å; Y502-I504 HydrophobicContact CD1-CG2 3.74Å; Y502-I504 HydrophobicContact CE1-CG2 4.11Å; Y502-I504 PolarHBondContact O-N 2.83Å
503	D	98.3	Very high	93.2	Very high	18 Å²	18	57.6 Å²	57.6	10%	0.096	32%	0.322	C	S	.	.			trans	-82.5	107.3	179.4	-174	-3.1	0	0	0	111.4	I462 R463 T505 W514	I462-D503 PolarHBondContact O-N 2.8Å; R463-D503 WeakPolarHBondContact CD-OD2 3.35Å; R463-D503 IonicContact CZ-OD2 3.44Å; R463-D503 IonicContact NE-OD2 3.39Å; R463-D503 PolarHBondContact NH1-O 2.89Å; R463-D503 IonicContact NH1-OD1 2.7Å; R463-D503 IonicContact NH1-OD2 2.69Å; D503-T505 WeakPolarHBondContact OD1-CB 3.26Å; D503-T505 PolarHBondContact OD1-N 3.39Å; D503-T505 PolarHBondContact OD1-OG1 3.38Å; D503-W514 HydrophobicContact CB-CZ2 4.12Å; D503-W514 PolarHBondContact OD2-NE1 3.3Å
504	I	97.4	Very high	93.2	Very high	106 Å²	106	56.3 Å²	56.3	54%	0.544	31%	0.313	S	S	.	.			trans	-98	20.5	179.2	61.8	171.9	0	0	0	112.9	F475 Y502	F475-I504 HydrophobicContact CD1-CB 4.35Å; F475-I504 VanDerWaalsContact CD1-O 3.26Å; F475-I504 WeakPolarHBondContact CD1-O 3.36Å; F475-I504 HydrophobicContact CD2-CB 4.14Å; F475-I504 HydrophobicContact CD2-CG2 4.04Å; F475-I504 HydrophobicContact CE1-CB 4.46Å; F475-I504 HydrophobicContact CE2-CB 4.26Å; F475-I504 HydrophobicContact CE2-CG2 4.1Å; F475-I504 HydrophobicContact CG-CB 4.2Å; F475-I504 HydrophobicContact CZ-CB 4.41Å; Y502-I504 HydrophobicContact CD1-CG2 3.74Å; Y502-I504 HydrophobicContact CE1-CG2 4.11Å; Y502-I504 PolarHBondContact O-N 2.83Å
505	T	90.2	Very high	93.1	Very high	56 Å²	56	57.9 Å²	57.9	34%	0.344	32%	0.32	S	S	.	.			trans	-94.6	121	-177.6	-38.3	0	0	0	0	111.1	R463 D503 P509 A510	R463-T505 VanDerWaalsContact CZ-O 3.22Å; R463-T505 PolarHBondContact NH1-O 3.46Å; R463-T505 PolarHBondContact NH2-O 3.11Å; D503-T505 WeakPolarHBondContact OD1-CB 3.26Å; D503-T505 PolarHBondContact OD1-N 3.39Å; D503-T505 PolarHBondContact OD1-OG1 3.38Å; T505-P509 HydrophobicContact CG2-CG 4.16Å; T505-A510 HydrophobicContact CG2-CB 3.61Å
506	S	88.4	Confident	93	Very high	37 Å²	37	57.4 Å²	57.4	26%	0.259	31%	0.307	S	S	.	.			trans	-72.9	165.8	176.3	-42.3	0	0	0	0	112.1	A473 D474 P508 P509 A510	A473-S506 WeakPolarHBondContact O-CB 3.38Å; D474-S506 PolarHBondContact OD1-OG 3.11Å; S506-P508 CarbonylContact C-O 3.58Å; S506-P508 VanDerWaalsContact C-O 3.27Å; S506-P508 CarbonylContact O-C 3.51Å; S506-P508 VanDerWaalsContact O-O 3.12Å; S506-P509 WeakPolarHBondContact O-CD 3.16Å; S506-A510 PolarHBondContact O-N 3.37Å; S506-A510 VanDerWaalsContact O-N 3.16Å
507	K	83.8	Confident	93	Very high	61 Å²	61	55.3 Å²	55.3	27%	0.265	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-107.3	112.6	167.4	173.7	178.4	-177.8	-169.1	0	108.8	G470 M471 A473 A510 V512	G470-K507 PolarHBondContact O-NZ 3.49Å; M471-K507 WeakPolarHBondContact O-CE 3.42Å; A473-K507 HydrophobicContact CB-CB 4.19Å; A473-K507 PolarHBondContact N-O 2.91Å; A473-K507 VanDerWaalsContact N-O 3.07Å; A473-K507 PolarHBondContact O-N 3.48Å; K507-A510 VanDerWaalsContact CA-O 3.32Å; K507-A510 WeakPolarHBondContact CA-O 3.39Å; K507-A510 VanDerWaalsContact CB-O 3.3Å; K507-A510 WeakPolarHBondContact CB-O 3.29Å; K507-A510 VanDerWaalsContact CG-O 3.29Å; K507-A510 WeakPolarHBondContact CG-O 3.33Å; K507-V512 HydrophobicContact CD-CG2 4.09Å
508	P	75.3	Confident	92.7	Very high	99 Å²	99	58.3 Å²	58.3	64%	0.643	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	cis	-72.5	166.3	-7.9	31	-35.6	0	0	0	113.5	S506	S506-P508 CarbonylContact C-O 3.58Å; S506-P508 VanDerWaalsContact C-O 3.27Å; S506-P508 CarbonylContact O-C 3.51Å; S506-P508 VanDerWaalsContact O-O 3.12Å
509	P	84.8	Confident	92.6	Very high	122 Å²	122	60.8 Å²	60.8	79%	0.792	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.7	-12	11.2	36.4	-36.9	0	0	0	115.4	T505 S506	T505-P509 HydrophobicContact CG2-CG 4.16Å; S506-P509 WeakPolarHBondContact O-CD 3.16Å
510	A	91.1	Very high	92.2	Very high	35 Å²	35	57.4 Å²	57.4	29%	0.289	32%	0.323	S	S	.	.	S	Bend	trans	-91.9	177.2	-180	0	0	0	0	0	111.9	T505 S506 K507	T505-A510 HydrophobicContact CG2-CB 3.61Å; S506-A510 PolarHBondContact O-N 3.37Å; S506-A510 VanDerWaalsContact O-N 3.16Å; K507-A510 VanDerWaalsContact CA-O 3.32Å; K507-A510 WeakPolarHBondContact CA-O 3.39Å; K507-A510 VanDerWaalsContact CB-O 3.3Å; K507-A510 WeakPolarHBondContact CB-O 3.29Å; K507-A510 VanDerWaalsContact CG-O 3.29Å; K507-A510 WeakPolarHBondContact CG-O 3.33Å
511	T	91.5	Very high	91.8	Very high	87 Å²	87	59.3 Å²	59.3	53%	0.534	33%	0.334	S	S	.	.			trans	-94.9	175.6	166.6	46.3	0	0	0	0	111.1	R463 E513	R463-T511 PolarHBondContact NH2-O 2.93Å; R463-T511 VanDerWaalsContact NH2-O 3.08Å; T511-E513 PolarHBondContact OG1-O 3.39Å
512	V	93.7	Very high	91.4	Very high	13 Å²	13	59.1 Å²	59.1	8%	0.079	33%	0.331	C	S	.	.	S	Bend	trans	-75.3	-57.2	174.7	177.1	0	0	0	0	110.1	W435 F438 R463 V465 A473 K507	W435-V512 HydrophobicContact CZ3-CG1 4.4Å; W435-V512 HydrophobicContact CZ3-CG2 4.39Å; F438-V512 HydrophobicContact CE1-CG1 4.11Å; F438-V512 HydrophobicContact CZ-CG1 4.4Å; F438-V512 WeakPolarHBondContact CZ-O 3.42Å; R463-V512 WeakPolarHBondContact CG-O 3.25Å; R463-V512 PolarHBondContact NE-O 3.31Å; V465-V512 HydrophobicContact CG1-CG1 4.45Å; V465-V512 HydrophobicContact CG2-CG1 3.84Å; V465-V512 HydrophobicContact CG2-CG2 4.25Å; A473-V512 HydrophobicContact CB-CG2 4.24Å; K507-V512 HydrophobicContact CD-CG2 4.09Å
513	E	95.4	Very high	90.8	Very high	23 Å²	23	60.2 Å²	60.2	11%	0.107	34%	0.343	C	S	.	.	S	Bend	trans	-74.7	154.9	171.1	-55.5	-72.1	170.2	0	0	110.2	I400 R401 Q436 F438 T511	I400-E513 HydrophobicContact CD1-CB 4.1Å; I400-E513 HydrophobicContact CD1-CG 3.91Å; R401-E513 IonicContact CZ-OE1 3.71Å; R401-E513 IonicContact CZ-OE2 3.53Å; R401-E513 IonicContact NE-OE1 3.86Å; R401-E513 IonicContact NE-OE2 2.7Å; R401-E513 PolarHBondContact NE-OE2 3.35Å; R401-E513 VanDerWaalsContact NE-OE2 3.1Å; R401-E513 IonicContact NH2-OE1 2.79Å; R401-E513 PolarHBondContact NH2-OE1 3.23Å; R401-E513 IonicContact NH2-OE2 3.79Å; Q436-E513 PolarHBondContact NE2-OE1 3.5Å; F438-E513 WeakPolarHBondContact CE2-OE2 3.28Å; F438-E513 VanDerWaalsContact CZ-OE2 3.25Å; F438-E513 WeakPolarHBondContact CZ-OE2 3.12Å; T511-E513 PolarHBondContact OG1-O 3.39Å
514	W	96.4	Very high	90.2	Very high	82 Å²	82	63.7 Å²	63.7	31%	0.311	36%	0.364	S	S	.	.			trans	-85.8	-14	-178.4	-78.2	26.2	0	0	0	113.9	L403 V440 P442 D503	L403-W514 HydrophobicContact CD1-CB 4.05Å; L403-W514 HydrophobicContact CD1-CE3 4.11Å; L403-W514 HydrophobicContact CD2-CE3 4.05Å; V440-W514 HydrophobicContact CB-CD2 4.3Å; V440-W514 HydrophobicContact CB-CE3 4.47Å; V440-W514 HydrophobicContact CB-CG 4.5Å; V440-W514 HydrophobicContact CG1-CD2 3.61Å; V440-W514 HydrophobicContact CG1-CE3 3.8Å; V440-W514 HydrophobicContact CG1-CG 4.19Å; V440-W514 HydrophobicContact CG1-CH2 4.05Å; V440-W514 HydrophobicContact CG1-CZ2 3.88Å; V440-W514 HydrophobicContact CG1-CZ3 4.03Å; V440-W514 HydrophobicContact CG2-CB 3.98Å; V440-W514 HydrophobicContact CG2-CD2 3.82Å; V440-W514 HydrophobicContact CG2-CE3 3.76Å; V440-W514 HydrophobicContact CG2-CG 3.94Å; P442-W514 HydrophobicContact CB-CZ3 3.98Å; P442-W514 HydrophobicContact CG-CZ3 4.38Å; D503-W514 HydrophobicContact CB-CZ2 4.12Å; D503-W514 PolarHBondContact OD2-NE1 3.3Å
515	E	94.3	Very high	89.6	Confident	43 Å²	43	59.8 Å²	59.8	20%	0.201	35%	0.348	C	S	.	.			trans	-144.7	0	176	-79.2	-174.9	165.7	0	0	110.6	P294 K297 R298 I400 L403 G404	P294-E515 HydrophobicContact CB-CB 3.71Å; P294-E515 HydrophobicContact CB-CG 3.84Å; P294-E515 HydrophobicContact CG-CG 4.3Å; K297-E515 VanDerWaalsContact CE-OE2 3.31Å; K297-E515 WeakPolarHBondContact CE-OE2 3.13Å; K297-E515 IonicContact NZ-OE1 2.87Å; K297-E515 IonicContact NZ-OE2 3.61Å; K297-E515 PolarHBondContact NZ-OE2 2.79Å; R298-E515 PolarHBondContact NE-OXT 3.16Å; R298-E515 PolarHBondContact NH2-O 2.52Å; R298-E515 PolarHBondContact NH2-OXT 2.66Å; I400-E515 HydrophobicContact CB-CB 4.16Å; L403-E515 WeakPolarHBondContact CA-OE1 3.35Å; L403-E515 HydrophobicContact CD1-CG 4.49Å; L403-E515 HydrophobicContact CG-CG 4.11Å; G404-E515 PolarHBondContact N-OE1 2.99Å

Retrieved 515 of 515 residues in 371.3 ms (Link to these results)

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