A0A3Q0KCT6_SCHMA Loading...

Inositol polyphosphate 1-phosphatase

AlphaFold DB (A0A5K4EAJ8), UniProt , Accession A0A3Q0KCT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 511 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	61.3	Low	82.3	Confident	61 Å²	61	49.5 Å²	49.5	30%	0.3	25%	0.252	S	S	.	.				0	151.2	0	-71.4	171.8	-159.2	0	0	110.5	K13 S14 L17 L75 L135	M1-K13 HydrophobicContact CE-CB 4.36Å; M1-K13 HydrophobicContact CG-CB 4.5Å; M1-S14 VanDerWaalsContact CE-CA 3.43Å; M1-S14 WeakPolarHBondContact CE-OG 3.47Å; M1-S14 PolarHBondContact SD-OG 3.48Å; M1-S14 VanDerWaalsContact SD-OG 3.37Å; M1-L17 HydrophobicContact CE-CD1 3.69Å; M1-L75 HydrophobicContact CE-CD1 4.06Å; M1-L135 HydrophobicContact CE-CD2 4.26Å
2	N	72	Confident	83.3	Confident	81 Å²	81	45.3 Å²	45.3	43%	0.433	23%	0.231	S	C	.	.			trans	-84.7	117.5	172.4	-176.5	10	0	0	0	109.2	T4 D5	N2-T4 VanDerWaalsContact CG-OG1 3.25Å; N2-T4 PolarHBondContact ND2-OG1 3.42Å; N2-T4 PolarHBondContact O-N 3.42Å; N2-T4 VanDerWaalsContact O-N 3.11Å; N2-T4 PolarHBondContact OD1-N 3.15Å; N2-T4 PolarHBondContact OD1-OG1 2.78Å; N2-T4 VanDerWaalsContact OD1-OG1 3.11Å; N2-D5 WeakPolarHBondContact O-CB 3.45Å; N2-D5 PolarHBondContact O-N 2.83Å
3	K	75.9	Confident	84.1	Confident	188 Å²	188	43.5 Å²	43.5	82%	0.817	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.4	-177.9	-69.3	-169.8	175.7	-172.7	0	113.5	Q10	K3-Q10 PolarHBondContact O-NE2 3.4Å
4	T	79.8	Confident	85	Confident	114 Å²	114	40.4 Å²	40.4	70%	0.699	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.2	176.2	71.7	0	0	0	0	113.2	N2	N2-T4 VanDerWaalsContact CG-OG1 3.25Å; N2-T4 PolarHBondContact ND2-OG1 3.42Å; N2-T4 PolarHBondContact O-N 3.42Å; N2-T4 VanDerWaalsContact O-N 3.11Å; N2-T4 PolarHBondContact OD1-N 3.15Å; N2-T4 PolarHBondContact OD1-OG1 2.78Å; N2-T4 VanDerWaalsContact OD1-OG1 3.11Å
5	D	83.3	Confident	85.8	Confident	25 Å²	25	37.7 Å²	37.7	13%	0.134	19%	0.191	C	C	.	.	S	Bend	trans	-66.4	149	175.8	-68.5	-12.7	0	0	0	109.6	N2 V9 Q10 K13	N2-D5 WeakPolarHBondContact O-CB 3.45Å; N2-D5 PolarHBondContact O-N 2.83Å; D5-V9 HydrophobicContact CB-CB 4.18Å; D5-V9 HydrophobicContact CB-CG1 3.94Å; D5-Q10 HydrophobicContact CB-CG 3.94Å; D5-Q10 PolarHBondContact O-NE2 2.88Å; D5-K13 IonicContact OD2-NZ 2.68Å; D5-K13 PolarHBondContact OD2-NZ 3.17Å
6	P	83.8	Confident	86.6	Confident	7 Å²	7	35.4 Å²	35.4	5%	0.045	18%	0.179	C	C	.	.			trans	-55.8	149.4	172.8	-22.6	30.4	0	0	0	111.6	C8 V9 Q10 L159 T162	P6-C8 VanDerWaalsContact C-N 3.26Å; P6-C8 PolarHBondContact O-N 3.25Å; P6-V9 HydrophobicContact CB-CG2 4.36Å; P6-V9 HydrophobicContact CG-CG2 4.31Å; P6-V9 WeakPolarHBondContact O-CA 3.45Å; P6-V9 WeakPolarHBondContact O-CB 3Å; P6-V9 PolarHBondContact O-N 3.34Å; P6-Q10 PolarHBondContact O-N 2.8Å; P6-L159 HydrophobicContact CG-CD2 3.8Å; P6-L159 HydrophobicContact CG-CG 4.33Å; P6-T162 VanDerWaalsContact CB-OG1 3.26Å; P6-T162 WeakPolarHBondContact CB-OG1 3.49Å
7	L	87.9	Confident	87.2	Confident	30 Å²	30	33.4 Å²	33.4	16%	0.157	17%	0.169	C	C	.	.	H	α-helix	trans	-53.8	-42.3	-175.3	179.9	57.3	0	0	0	112.7	V9 Q10 L11 F76 I169 F172	L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 3.25Å; L7-Q10 PolarHBondContact O-N 3.28Å; L7-L11 HydrophobicContact CD1-CD1 4.24Å; L7-L11 HydrophobicContact CD1-CG 4.32Å; L7-L11 HydrophobicContact CG-CD1 3.94Å; L7-L11 WeakPolarHBondContact O-CB 3.14Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.39Å; L7-F76 HydrophobicContact CD1-CD1 3.89Å; L7-F76 HydrophobicContact CD1-CE1 3.63Å; L7-I169 HydrophobicContact CD1-CD1 4.13Å; L7-I169 HydrophobicContact CD2-CB 4.26Å; L7-I169 HydrophobicContact CD2-CD1 4.37Å; L7-F172 HydrophobicContact CD2-CE2 3.91Å; L7-F172 HydrophobicContact CG-CE2 4.31Å
8	C	87.6	Confident	87.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-36	177.3	70.8	0	0	0	0	113.2	P6 L11 L12 T162 I253 F290	P6-C8 VanDerWaalsContact C-N 3.26Å; P6-C8 PolarHBondContact O-N 3.25Å; C8-L11 PolarHBondContact O-N 3.23Å; C8-L12 WeakPolarHBondContact O-CB 3.16Å; C8-L12 PolarHBondContact O-N 3.24Å; C8-T162 HydrophobicContact CB-CG2 4.3Å; C8-T162 WeakPolarHBondContact SG-CB 3.46Å; C8-T162 WeakPolarHBondContact SG-CG2 3.48Å; C8-T162 PolarHBondContact SG-OG1 2.9Å; C8-I253 WeakPolarHBondContact O-CD1 3.45Å; C8-F290 HydrophobicContact CB-CE1 4.05Å; C8-F290 HydrophobicContact CB-CE2 4.2Å; C8-F290 HydrophobicContact CB-CZ 3.61Å
9	V	88.6	Confident	88.4	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-72.2	-41.1	178.3	172.8	0	0	0	0	109.6	D5 P6 L7 L12 K13 C155 L158	D5-V9 HydrophobicContact CB-CB 4.18Å; D5-V9 HydrophobicContact CB-CG1 3.94Å; P6-V9 HydrophobicContact CB-CG2 4.36Å; P6-V9 HydrophobicContact CG-CG2 4.31Å; P6-V9 WeakPolarHBondContact O-CA 3.45Å; P6-V9 WeakPolarHBondContact O-CB 3Å; P6-V9 PolarHBondContact O-N 3.34Å; L7-V9 VanDerWaalsContact C-N 3.29Å; L7-V9 PolarHBondContact O-N 3.25Å; V9-L12 PolarHBondContact O-N 2.86Å; V9-K13 HydrophobicContact CG1-CD 4.12Å; V9-K13 WeakPolarHBondContact O-CB 3.38Å; V9-K13 WeakPolarHBondContact O-CG 3.21Å; V9-K13 PolarHBondContact O-N 2.97Å; V9-C155 HydrophobicContact CG1-CB 3.88Å; V9-C155 HydrophobicContact CG2-CB 4.07Å; V9-L158 HydrophobicContact CG2-CB 3.77Å; V9-L158 HydrophobicContact CG2-CD1 3.9Å
10	Q	91.5	Very high	88.9	Confident	36 Å²	36	28.4 Å²	28.4	17%	0.168	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-46.2	173.7	-62.2	-173.6	52	0	0	110.7	K3 D5 P6 L7 K13 S14 F76	K3-Q10 PolarHBondContact O-NE2 3.4Å; D5-Q10 HydrophobicContact CB-CG 3.94Å; D5-Q10 PolarHBondContact O-NE2 2.88Å; P6-Q10 PolarHBondContact O-N 2.8Å; L7-Q10 PolarHBondContact O-N 3.28Å; Q10-K13 PolarHBondContact O-N 3Å; Q10-S14 WeakPolarHBondContact O-CB 3.43Å; Q10-S14 PolarHBondContact O-N 3.3Å; Q10-S14 PolarHBondContact O-OG 2.93Å; Q10-F76 HydrophobicContact CB-CE1 4.16Å; Q10-F76 HydrophobicContact CB-CZ 3.99Å
11	L	93.3	Very high	89.3	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-48.1	176.8	-78.1	163.9	0	0	0	112.3	L7 C8 K13 S14 L15 F76 I169 F172 L243 I253	L7-L11 HydrophobicContact CD1-CD1 4.24Å; L7-L11 HydrophobicContact CD1-CG 4.32Å; L7-L11 HydrophobicContact CG-CD1 3.94Å; L7-L11 WeakPolarHBondContact O-CB 3.14Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 3.39Å; C8-L11 PolarHBondContact O-N 3.23Å; L11-K13 PolarHBondContact O-N 3.2Å; L11-S14 WeakPolarHBondContact O-CB 3.33Å; L11-S14 PolarHBondContact O-N 3.19Å; L11-S14 VanDerWaalsContact O-N 3.16Å; L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 3.23Å; L11-F76 HydrophobicContact CD2-CD2 4.04Å; L11-F76 HydrophobicContact CD2-CE2 3.74Å; L11-F76 HydrophobicContact CD2-CZ 4.04Å; L11-F76 HydrophobicContact CG-CE2 4.38Å; L11-F76 HydrophobicContact CG-CZ 4.19Å; L11-I169 HydrophobicContact CD1-CD1 4.14Å; L11-I169 HydrophobicContact CD2-CD1 3.93Å; L11-I169 HydrophobicContact CG-CD1 4.38Å; L11-F172 HydrophobicContact CD1-CD2 3.63Å; L11-F172 HydrophobicContact CD1-CE2 3.72Å; L11-F172 HydrophobicContact CD1-CG 4.22Å; L11-F172 HydrophobicContact CD1-CZ 4.36Å; L11-L243 HydrophobicContact CB-CD1 4.11Å; L11-L243 HydrophobicContact CD1-CD1 3.82Å; L11-L243 HydrophobicContact CD2-CD1 3.93Å; L11-L243 HydrophobicContact CG-CD1 4.18Å; L11-I253 HydrophobicContact CB-CD1 4.23Å
12	L	94.1	Very high	91.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-48.1	177.6	173.7	61	0	0	0	111.9	C8 V9 S14 L15 I16 L151 I253 W286 F288	C8-L12 WeakPolarHBondContact O-CB 3.16Å; C8-L12 PolarHBondContact O-N 3.24Å; V9-L12 PolarHBondContact O-N 2.86Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 2.64Å; L12-L15 PolarHBondContact O-N 2.66Å; L12-I16 HydrophobicContact CD1-CD1 4.02Å; L12-I16 HydrophobicContact CD1-CG1 4.45Å; L12-I16 HydrophobicContact CG-CD1 4.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.19Å; L12-I16 PolarHBondContact O-N 3.42Å; L12-I16 VanDerWaalsContact O-N 3.11Å; L12-L151 HydrophobicContact CD1-CD1 4.5Å; L12-L151 HydrophobicContact CD2-CD1 3.5Å; L12-L151 HydrophobicContact CG-CD1 3.79Å; L12-I253 HydrophobicContact CB-CD1 3.93Å; L12-I253 HydrophobicContact CB-CG1 4.43Å; L12-I253 HydrophobicContact CB-CG2 4.31Å; L12-I253 HydrophobicContact CD1-CG2 3.51Å; L12-I253 HydrophobicContact CG-CG2 4.48Å; L12-W286 HydrophobicContact CD1-CB 4.37Å; L12-W286 HydrophobicContact CD1-CE3 4.26Å; L12-W286 HydrophobicContact CD2-CE3 4.2Å; L12-W286 HydrophobicContact CD2-CZ3 4.42Å; L12-F288 HydrophobicContact CD2-CD1 3.67Å; L12-F288 HydrophobicContact CD2-CE1 4.25Å
13	K	94.5	Very high	92.2	Very high	22 Å²	22	20.4 Å²	20.4	10%	0.096	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-40.8	175.8	-72.4	174.3	-177.7	178	0	111.2	M1 D5 V9 Q10 L11 L17 W148 L151	M1-K13 HydrophobicContact CE-CB 4.36Å; M1-K13 HydrophobicContact CG-CB 4.5Å; D5-K13 IonicContact OD2-NZ 2.68Å; D5-K13 PolarHBondContact OD2-NZ 3.17Å; V9-K13 HydrophobicContact CG1-CD 4.12Å; V9-K13 WeakPolarHBondContact O-CB 3.38Å; V9-K13 WeakPolarHBondContact O-CG 3.21Å; V9-K13 PolarHBondContact O-N 2.97Å; Q10-K13 PolarHBondContact O-N 3Å; L11-K13 PolarHBondContact O-N 3.2Å; K13-L17 WeakPolarHBondContact O-CG 3.31Å; K13-L17 PolarHBondContact O-N 3.32Å; K13-W148 HydrophobicContact CB-CH2 4.17Å; K13-W148 HydrophobicContact CD-CZ2 4.47Å; K13-W148 HydrophobicContact CG-CH2 4.17Å; K13-L151 HydrophobicContact CG-CD2 3.94Å
14	S	96	Very high	93.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.8	-48.5	178.4	-55.1	0	0	0	0	111.8	M1 Q10 L11 L12 I16 L17 C18	M1-S14 VanDerWaalsContact CE-CA 3.43Å; M1-S14 WeakPolarHBondContact CE-OG 3.47Å; M1-S14 PolarHBondContact SD-OG 3.48Å; M1-S14 VanDerWaalsContact SD-OG 3.37Å; Q10-S14 WeakPolarHBondContact O-CB 3.43Å; Q10-S14 PolarHBondContact O-N 3.3Å; Q10-S14 PolarHBondContact O-OG 2.93Å; L11-S14 WeakPolarHBondContact O-CB 3.33Å; L11-S14 PolarHBondContact O-N 3.19Å; L11-S14 VanDerWaalsContact O-N 3.16Å; L12-S14 VanDerWaalsContact C-N 3.28Å; L12-S14 PolarHBondContact O-N 2.64Å; S14-I16 VanDerWaalsContact C-N 3.31Å; S14-I16 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 3.19Å; S14-C18 WeakPolarHBondContact O-CB 3.49Å; S14-C18 PolarHBondContact O-N 3.41Å; S14-C18 PolarHBondContact O-SG 3.33Å
15	L	97.8	Very high	94	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.1	-37.1	-179.5	-68.1	174.3	0	0	0	112.2	L11 L12 C18 S19 L72 V174 L241 L243 I253 V255	L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 3.23Å; L12-L15 PolarHBondContact O-N 2.66Å; L15-C18 PolarHBondContact O-N 2.96Å; L15-S19 WeakPolarHBondContact O-CB 3.4Å; L15-S19 PolarHBondContact O-N 3.17Å; L15-L72 HydrophobicContact CD2-CD1 3.99Å; L15-L72 HydrophobicContact CD2-CD2 4.29Å; L15-V174 HydrophobicContact CD2-CG1 4.24Å; L15-V174 HydrophobicContact CD2-CG2 4.27Å; L15-L241 HydrophobicContact CB-CD1 4.39Å; L15-L241 HydrophobicContact CD2-CB 4.39Å; L15-L241 HydrophobicContact CD2-CD1 4.26Å; L15-L241 VanDerWaalsContact O-CD1 3.27Å; L15-L241 WeakPolarHBondContact O-CD1 3.25Å; L15-L243 HydrophobicContact CD1-CB 3.86Å; L15-L243 HydrophobicContact CD1-CD1 4.22Å; L15-I253 HydrophobicContact CD1-CB 4.43Å; L15-I253 HydrophobicContact CD1-CG2 3.81Å; L15-V255 HydrophobicContact CB-CG2 3.9Å
16	I	97.6	Very high	94.6	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-61	-48.9	173.9	-72.6	168.4	0	0	0	110.8	L12 S14 S19 E20 V144 I147 L151 V255 I284 W286	L12-I16 HydrophobicContact CD1-CD1 4.02Å; L12-I16 HydrophobicContact CD1-CG1 4.45Å; L12-I16 HydrophobicContact CG-CD1 4.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.19Å; L12-I16 PolarHBondContact O-N 3.42Å; L12-I16 VanDerWaalsContact O-N 3.11Å; S14-I16 VanDerWaalsContact C-N 3.31Å; S14-I16 PolarHBondContact O-N 3.35Å; I16-S19 WeakPolarHBondContact O-CB 3.5Å; I16-S19 PolarHBondContact O-N 2.94Å; I16-S19 PolarHBondContact O-OG 2.84Å; I16-E20 PolarHBondContact O-N 3.44Å; I16-E20 VanDerWaalsContact O-N 3.15Å; I16-V144 HydrophobicContact CG2-CG1 4.23Å; I16-V144 HydrophobicContact CG2-CG2 4.3Å; I16-I147 HydrophobicContact CD1-CD1 4.38Å; I16-I147 HydrophobicContact CG2-CD1 3.92Å; I16-L151 HydrophobicContact CD1-CD1 3.76Å; I16-L151 HydrophobicContact CD1-CD2 3.53Å; I16-L151 HydrophobicContact CD1-CG 4.22Å; I16-V255 HydrophobicContact CG1-CG1 4.32Å; I16-V255 HydrophobicContact CG1-CG2 3.92Å; I16-I284 HydrophobicContact CG2-CD1 4.33Å; I16-I284 HydrophobicContact CG2-CG2 4.49Å; I16-W286 HydrophobicContact CD1-CB 4.04Å; I16-W286 HydrophobicContact CD1-CD2 4.35Å; I16-W286 HydrophobicContact CD1-CG 3.75Å; I16-W286 HydrophobicContact CG1-CB 4.25Å; I16-W286 HydrophobicContact CG1-CG 4.43Å
17	L	97.8	Very high	95	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-67	-39.1	179.4	-63.3	171.3	0	0	0	112	M1 K13 S14 S19 E20 K21 L135 F138 Q139 V144 W148	M1-L17 HydrophobicContact CE-CD1 3.69Å; K13-L17 WeakPolarHBondContact O-CG 3.31Å; K13-L17 PolarHBondContact O-N 3.32Å; S14-L17 PolarHBondContact O-N 3.19Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.36Å; L17-E20 PolarHBondContact O-N 3.05Å; L17-K21 PolarHBondContact O-N 3.32Å; L17-L135 HydrophobicContact CB-CD1 3.77Å; L17-L135 HydrophobicContact CB-CD2 3.91Å; L17-L135 HydrophobicContact CB-CG 3.51Å; L17-L135 HydrophobicContact CD1-CD2 4.43Å; L17-L135 HydrophobicContact CD1-CG 4.13Å; L17-L135 HydrophobicContact CG-CG 4.47Å; L17-F138 HydrophobicContact CD2-CB 4.29Å; L17-Q139 HydrophobicContact CD2-CB 3.96Å; L17-V144 HydrophobicContact CD2-CG1 3.93Å; L17-W148 HydrophobicContact CD1-CH2 4.23Å; L17-W148 HydrophobicContact CD2-CH2 4.36Å; L17-W148 HydrophobicContact CD2-CZ3 4.03Å; L17-W148 HydrophobicContact CG-CH2 4.34Å; L17-W148 HydrophobicContact CG-CZ3 4.21Å
18	C	98.4	Very high	95.3	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.007	3%	0.031	C	C	.	.	H	α-helix	trans	-58.5	-43.3	173.4	-75.2	0	0	0	0	110.8	S14 L15 E20 K21 A22 V68 L241	S14-C18 WeakPolarHBondContact O-CB 3.49Å; S14-C18 PolarHBondContact O-N 3.41Å; S14-C18 PolarHBondContact O-SG 3.33Å; L15-C18 PolarHBondContact O-N 2.96Å; C18-E20 VanDerWaalsContact C-N 3.3Å; C18-E20 PolarHBondContact O-N 3.03Å; C18-K21 PolarHBondContact O-N 3.41Å; C18-A22 VanDerWaalsContact O-CB 3.27Å; C18-A22 WeakPolarHBondContact O-CB 3.39Å; C18-A22 PolarHBondContact O-N 3.37Å; C18-V68 HydrophobicContact CB-CG1 4.38Å; C18-V68 HydrophobicContact CB-CG2 4.14Å; C18-L241 HydrophobicContact CB-CD1 4.13Å
19	S	98.3	Very high	95.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.9	-37.7	177.8	84.1	0	0	0	0	112.4	L15 I16 L17 A22 A23 N257	L15-S19 WeakPolarHBondContact O-CB 3.4Å; L15-S19 PolarHBondContact O-N 3.17Å; I16-S19 WeakPolarHBondContact O-CB 3.5Å; I16-S19 PolarHBondContact O-N 2.94Å; I16-S19 PolarHBondContact O-OG 2.84Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.36Å; S19-A22 WeakPolarHBondContact O-CB 2.78Å; S19-A23 WeakPolarHBondContact O-CB 3.21Å; S19-A23 PolarHBondContact O-N 2.87Å; S19-N257 PolarHBondContact O-ND2 3.5Å
20	E	97.5	Very high	95.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-75.6	-40.3	179.2	-174.5	56.3	-153.7	0	0	112.1	I16 L17 C18 A22 A23 V24 R27 Q141 V144 N257 I284	I16-E20 PolarHBondContact O-N 3.44Å; I16-E20 VanDerWaalsContact O-N 3.15Å; L17-E20 PolarHBondContact O-N 3.05Å; C18-E20 VanDerWaalsContact C-N 3.3Å; C18-E20 PolarHBondContact O-N 3.03Å; E20-A22 VanDerWaalsContact C-N 3.27Å; E20-A22 PolarHBondContact O-N 3.06Å; E20-A23 WeakPolarHBondContact O-CB 3.19Å; E20-A23 PolarHBondContact O-N 3.45Å; E20-A23 VanDerWaalsContact O-N 3.11Å; E20-V24 WeakPolarHBondContact O-CG2 3.36Å; E20-V24 PolarHBondContact O-N 3.11Å; E20-R27 IonicContact OE1-CZ 2.96Å; E20-R27 IonicContact OE1-NH1 3.22Å; E20-R27 IonicContact OE1-NH2 3.19Å; E20-R27 PolarHBondContact OE1-NH2 3.1Å; E20-Q141 HydrophobicContact CG-CB 3.82Å; E20-Q141 HydrophobicContact CG-CG 4.08Å; E20-V144 HydrophobicContact CB-CG2 3.49Å; E20-V144 VanDerWaalsContact CB-CG2 3.49Å; E20-V144 HydrophobicContact CG-CG2 3.65Å; E20-N257 WeakPolarHBondContact CA-ND2 3.02Å; E20-N257 PolarHBondContact OE2-ND2 2.84Å; E20-I284 HydrophobicContact CB-CD1 4.11Å
21	K	98.1	Very high	95.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58	-43.7	171.6	-177.3	170.1	-177.3	-176.5	0	111.1	L17 C18 A23 V24 I25 V67 D71 I130 C131 Q133 L135 F138	L17-K21 PolarHBondContact O-N 3.32Å; C18-K21 PolarHBondContact O-N 3.41Å; K21-A23 PolarHBondContact O-N 3.34Å; K21-V24 PolarHBondContact O-N 3.37Å; K21-I25 HydrophobicContact CG-CD1 4.36Å; K21-I25 WeakPolarHBondContact O-CG1 3.34Å; K21-I25 PolarHBondContact O-N 3.48Å; K21-V67 HydrophobicContact CD-CG1 3.93Å; K21-V67 HydrophobicContact CG-CG1 4.23Å; K21-D71 VanDerWaalsContact CD-OD2 3.23Å; K21-D71 WeakPolarHBondContact CD-OD2 3.43Å; K21-D71 WeakPolarHBondContact CE-OD2 3.48Å; K21-D71 VanDerWaalsContact NZ-CG 3.32Å; K21-D71 IonicContact NZ-OD1 2.77Å; K21-D71 PolarHBondContact NZ-OD1 2.83Å; K21-D71 IonicContact NZ-OD2 2.73Å; K21-D71 PolarHBondContact NZ-OD2 3.38Å; K21-I130 WeakPolarHBondContact CE-O 3.47Å; K21-C131 WeakPolarHBondContact CE-O 3.43Å; K21-C131 PolarHBondContact NZ-O 3.48Å; K21-Q133 PolarHBondContact NZ-O 2.64Å; K21-L135 HydrophobicContact CB-CD1 4.37Å; K21-L135 HydrophobicContact CD-CD1 4.05Å; K21-F138 HydrophobicContact CB-CD1 3.96Å; K21-F138 HydrophobicContact CB-CD2 4Å; K21-F138 HydrophobicContact CB-CE1 3.86Å; K21-F138 HydrophobicContact CB-CE2 3.91Å; K21-F138 HydrophobicContact CB-CG 4.04Å; K21-F138 HydrophobicContact CB-CZ 3.86Å; K21-F138 HydrophobicContact CD-CD2 4.13Å; K21-F138 HydrophobicContact CD-CE2 3.52Å; K21-F138 HydrophobicContact CD-CZ 3.86Å; K21-F138 HydrophobicContact CG-CD1 4.48Å; K21-F138 HydrophobicContact CG-CD2 4.24Å; K21-F138 HydrophobicContact CG-CE1 3.91Å; K21-F138 HydrophobicContact CG-CE2 3.65Å; K21-F138 HydrophobicContact CG-CZ 3.47Å; K21-F138 VanDerWaalsContact CG-CZ 3.47Å
22	A	98.4	Very high	95.1	Very high	2 Å²	2	13 Å²	13	2%	0.017	6%	0.057	C	C	.	.	H	α-helix	trans	-59	-44.7	172.9	0	0	0	0	0	112.2	C18 S19 E20 V24 I25 A26 I64 I239	C18-A22 VanDerWaalsContact O-CB 3.27Å; C18-A22 WeakPolarHBondContact O-CB 3.39Å; C18-A22 PolarHBondContact O-N 3.37Å; S19-A22 WeakPolarHBondContact O-CB 2.78Å; E20-A22 VanDerWaalsContact C-N 3.27Å; E20-A22 PolarHBondContact O-N 3.06Å; A22-V24 PolarHBondContact O-N 3.08Å; A22-I25 WeakPolarHBondContact O-CB 3.32Å; A22-I25 PolarHBondContact O-N 3.17Å; A22-A26 WeakPolarHBondContact O-CB 3.33Å; A22-A26 PolarHBondContact O-N 3.49Å; A22-I64 HydrophobicContact CB-CB 4.37Å; A22-I64 HydrophobicContact CB-CD1 4.26Å; A22-I64 HydrophobicContact CB-CG1 4.11Å; A22-I64 HydrophobicContact CB-CG2 3.45Å; A22-I64 VanDerWaalsContact CB-CG2 3.45Å; A22-I64 WeakPolarHBondContact O-CD1 3.14Å; A22-I239 VanDerWaalsContact C-CD1 3.49Å; A22-I239 HydrophobicContact CB-CD1 3.67Å; A22-I239 HydrophobicContact CB-CG2 4.05Å
23	A	96.7	Very high	94.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-38.7	177.5	0	0	0	0	0	112.8	S19 E20 K21 A26 R27 I239 N257 P259	S19-A23 WeakPolarHBondContact O-CB 3.21Å; S19-A23 PolarHBondContact O-N 2.87Å; E20-A23 WeakPolarHBondContact O-CB 3.19Å; E20-A23 PolarHBondContact O-N 3.45Å; E20-A23 VanDerWaalsContact O-N 3.11Å; K21-A23 PolarHBondContact O-N 3.34Å; A23-A26 PolarHBondContact O-N 3.11Å; A23-R27 WeakPolarHBondContact O-CB 3.34Å; A23-R27 WeakPolarHBondContact O-CG 2.84Å; A23-R27 PolarHBondContact O-N 2.68Å; A23-I239 HydrophobicContact CB-CD1 4.07Å; A23-N257 WeakPolarHBondContact CB-OD1 3.1Å; A23-P259 HydrophobicContact CB-CB 3.84Å; A23-P259 HydrophobicContact CB-CG 3.9Å
24	V	96	Very high	93.9	Very high	22 Å²	22	22.1 Å²	22.1	13%	0.133	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-44.1	173.4	172	0	0	0	0	110.7	E20 K21 A22 R27 T28 I130 F138	E20-V24 WeakPolarHBondContact O-CG2 3.36Å; E20-V24 PolarHBondContact O-N 3.11Å; K21-V24 PolarHBondContact O-N 3.37Å; A22-V24 PolarHBondContact O-N 3.08Å; V24-R27 VanDerWaalsContact CG2-NH2 3.32Å; V24-R27 PolarHBondContact O-N 3.37Å; V24-T28 VanDerWaalsContact O-CB 3.29Å; V24-T28 WeakPolarHBondContact O-CB 3.38Å; V24-T28 PolarHBondContact O-N 3.4Å; V24-T28 PolarHBondContact O-OG1 3.28Å; V24-I130 HydrophobicContact CG1-CD1 4.41Å; V24-I130 HydrophobicContact CG1-CG2 3.89Å; V24-F138 HydrophobicContact CB-CE1 4.09Å; V24-F138 HydrophobicContact CG1-CE1 4.32Å; V24-F138 HydrophobicContact CG2-CD1 4.14Å; V24-F138 HydrophobicContact CG2-CE1 3.95Å
25	I	96.9	Very high	93.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-49.8	175.1	-66.7	163.9	0	0	0	110.2	K21 A22 R27 T28 I29 L63 I64 V67 I130	K21-I25 HydrophobicContact CG-CD1 4.36Å; K21-I25 WeakPolarHBondContact O-CG1 3.34Å; K21-I25 PolarHBondContact O-N 3.48Å; A22-I25 WeakPolarHBondContact O-CB 3.32Å; A22-I25 PolarHBondContact O-N 3.17Å; I25-R27 PolarHBondContact O-N 2.81Å; I25-T28 PolarHBondContact O-N 3.15Å; I25-T28 VanDerWaalsContact O-N 3.12Å; I25-I29 HydrophobicContact CG2-CD1 3.8Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 PolarHBondContact O-N 2.72Å; I25-L63 HydrophobicContact CG2-CD2 4.06Å; I25-L63 HydrophobicContact CG2-CG 4.48Å; I25-I64 HydrophobicContact CB-CG1 4.1Å; I25-I64 HydrophobicContact CD1-CG1 4.49Å; I25-I64 HydrophobicContact CG2-CD1 4.41Å; I25-I64 HydrophobicContact CG2-CG1 3.9Å; I25-V67 HydrophobicContact CD1-CB 4.28Å; I25-V67 HydrophobicContact CD1-CG1 4.09Å; I25-V67 HydrophobicContact CD1-CG2 3.9Å; I25-I130 HydrophobicContact CG1-CG2 3.75Å
26	A	95.9	Very high	92.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.3	-45.8	179.7	0	0	0	0	0	112.2	A22 A23 K30 I64 I179 Y185 I239 F260	A22-A26 WeakPolarHBondContact O-CB 3.33Å; A22-A26 PolarHBondContact O-N 3.49Å; A23-A26 PolarHBondContact O-N 3.11Å; A26-K30 VanDerWaalsContact O-CB 3.25Å; A26-K30 WeakPolarHBondContact O-CB 3.44Å; A26-K30 PolarHBondContact O-N 2.88Å; A26-I64 HydrophobicContact CB-CD1 4.06Å; A26-I179 HydrophobicContact CB-CD1 3.67Å; A26-Y185 HydrophobicContact CB-CE2 4.46Å; A26-Y185 PolarHBondContact O-OH 2.82Å; A26-I239 HydrophobicContact CB-CD1 4.5Å; A26-F260 HydrophobicContact CB-CZ 4.4Å
27	R	92.7	Very high	92.3	Very high	27 Å²	27	30.2 Å²	30.2	10%	0.102	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-40.2	176.2	-73.1	-173.7	-66.6	-98.1	2.1	112	E20 A23 V24 I25 K30 R31 P259 F260 Y281	E20-R27 IonicContact OE1-CZ 2.96Å; E20-R27 IonicContact OE1-NH1 3.22Å; E20-R27 IonicContact OE1-NH2 3.19Å; E20-R27 PolarHBondContact OE1-NH2 3.1Å; A23-R27 WeakPolarHBondContact O-CB 3.34Å; A23-R27 WeakPolarHBondContact O-CG 2.84Å; A23-R27 PolarHBondContact O-N 2.68Å; V24-R27 VanDerWaalsContact CG2-NH2 3.32Å; V24-R27 PolarHBondContact O-N 3.37Å; I25-R27 PolarHBondContact O-N 2.81Å; R27-K30 PolarHBondContact O-N 3Å; R27-R31 WeakPolarHBondContact O-CD 3.5Å; R27-R31 VanDerWaalsContact O-CG 3.26Å; R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.06Å; R27-R31 VanDerWaalsContact O-N 3.13Å; R27-P259 WeakPolarHBondContact CD-O 3.2Å; R27-P259 HydrophobicContact CG-CB 4.29Å; R27-P259 PolarHBondContact NH1-O 3.3Å; R27-P259 VanDerWaalsContact NH1-O 3.17Å; R27-F260 HydrophobicContact CB-CE1 4.34Å; R27-F260 HydrophobicContact CG-CD1 4.2Å; R27-F260 HydrophobicContact CG-CE1 3.68Å; R27-F260 HydrophobicContact CG-CZ 4.11Å; R27-Y281 PolarHBondContact NH1-O 2.94Å
28	T	93.1	Very high	91.7	Very high	17 Å²	17	33.6 Å²	33.6	10%	0.104	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-47.4	-179.1	-59.3	0	0	0	0	111.3	V24 I25 K30 R31 F123 L127 I130	V24-T28 VanDerWaalsContact O-CB 3.29Å; V24-T28 WeakPolarHBondContact O-CB 3.38Å; V24-T28 PolarHBondContact O-N 3.4Å; V24-T28 PolarHBondContact O-OG1 3.28Å; I25-T28 PolarHBondContact O-N 3.15Å; I25-T28 VanDerWaalsContact O-N 3.12Å; T28-K30 VanDerWaalsContact C-N 3.34Å; T28-K30 PolarHBondContact O-N 3.41Å; T28-R31 PolarHBondContact O-N 3.05Å; T28-F123 HydrophobicContact CG2-CE2 3.8Å; T28-F123 HydrophobicContact CG2-CZ 4.37Å; T28-L127 HydrophobicContact CG2-CD2 3.69Å; T28-I130 HydrophobicContact CG2-CD1 3.9Å
29	I	93.8	Very high	91.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-45.8	174.8	-68.1	173.5	0	0	0	110.6	I25 R31 Q32 F36 L39 L59 A60 L63 L127	I25-I29 HydrophobicContact CG2-CD1 3.8Å; I25-I29 HydrophobicContact CG2-CG1 4.45Å; I25-I29 PolarHBondContact O-N 2.72Å; I29-R31 PolarHBondContact O-N 2.92Å; I29-Q32 PolarHBondContact O-N 3.4Å; I29-Q32 VanDerWaalsContact O-N 3.11Å; I29-F36 HydrophobicContact CG2-CD2 4.05Å; I29-F36 HydrophobicContact CG2-CE2 4.01Å; I29-L39 HydrophobicContact CG2-CD1 3.9Å; I29-L59 HydrophobicContact CD1-CD2 4.4Å; I29-L59 HydrophobicContact CD1-CG 4.21Å; I29-A60 HydrophobicContact CD1-CB 3.74Å; I29-L63 HydrophobicContact CD1-CD2 4.43Å; I29-L127 HydrophobicContact CD1-CD2 4.46Å; I29-L127 HydrophobicContact CG1-CD1 4Å; I29-L127 HydrophobicContact CG1-CD2 3.81Å
30	K	90.4	Very high	90.8	Very high	11 Å²	11	35 Å²	35	5%	0.048	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-27.9	-176.9	-168.7	58.7	-176.6	176.1	0	113.7	A26 R27 T28 Q32 F36 Y185 G188 F190 L234 F260	A26-K30 VanDerWaalsContact O-CB 3.25Å; A26-K30 WeakPolarHBondContact O-CB 3.44Å; A26-K30 PolarHBondContact O-N 2.88Å; R27-K30 PolarHBondContact O-N 3Å; T28-K30 VanDerWaalsContact C-N 3.34Å; T28-K30 PolarHBondContact O-N 3.41Å; K30-Q32 VanDerWaalsContact C-N 3.3Å; K30-Q32 PolarHBondContact O-N 3.02Å; K30-F36 HydrophobicContact CB-CE2 4.35Å; K30-F36 HydrophobicContact CD-CD1 4.37Å; K30-F36 HydrophobicContact CD-CD2 4.01Å; K30-F36 HydrophobicContact CD-CE1 3.9Å; K30-F36 HydrophobicContact CD-CE2 3.48Å; K30-F36 VanDerWaalsContact CD-CE2 3.48Å; K30-F36 HydrophobicContact CD-CG 4.43Å; K30-F36 HydrophobicContact CD-CZ 3.42Å; K30-F36 VanDerWaalsContact CD-CZ 3.42Å; K30-Y185 HydrophobicContact CB-CE2 3.79Å; K30-Y185 HydrophobicContact CD-CD2 4.27Å; K30-Y185 HydrophobicContact CD-CE2 3.88Å; K30-Y185 WeakPolarHBondContact CE-O 3.44Å; K30-Y185 HydrophobicContact CG-CE2 4.03Å; K30-Y185 PolarHBondContact N-OH 2.88Å; K30-Y185 PolarHBondContact NZ-O 2.8Å; K30-G188 WeakPolarHBondContact CE-O 3.34Å; K30-G188 PolarHBondContact NZ-O 3.1Å; K30-F190 HydrophobicContact CB-CE2 4.08Å; K30-F190 HydrophobicContact CB-CZ 4.02Å; K30-F190 HydrophobicContact CG-CD2 4.47Å; K30-F190 HydrophobicContact CG-CE2 3.61Å; K30-F190 HydrophobicContact CG-CZ 3.78Å; K30-L234 HydrophobicContact CG-CD1 4.35Å; K30-F260 HydrophobicContact CB-CE1 4.11Å; K30-F260 HydrophobicContact CB-CZ 4.08Å; K30-F260 HydrophobicContact CG-CE1 4.1Å; K30-F260 HydrophobicContact CG-CZ 4.23Å
31	R	86.4	Confident	90.4	Very high	118 Å²	118	37 Å²	37	45%	0.445	20%	0.203	S	C	.	.	H	α-helix	trans	-70.5	-23.2	178.3	-80.7	168.2	143.4	-164.8	-13.8	113.6	R27 T28 I29 T33 F190	R27-R31 WeakPolarHBondContact O-CD 3.5Å; R27-R31 VanDerWaalsContact O-CG 3.26Å; R27-R31 WeakPolarHBondContact O-CG 3.35Å; R27-R31 PolarHBondContact O-N 3.06Å; R27-R31 VanDerWaalsContact O-N 3.13Å; T28-R31 PolarHBondContact O-N 3.05Å; I29-R31 PolarHBondContact O-N 2.92Å; R31-T33 PolarHBondContact O-N 3.24Å; R31-F190 HydrophobicContact CG-CE2 4.01Å; R31-F190 HydrophobicContact CG-CZ 4.03Å
32	Q	85.9	Confident	89.9	Confident	53 Å²	53	42 Å²	42	25%	0.248	23%	0.233	C	C	.	.			trans	-81.3	66.5	-178.4	-160.7	71.9	-39.2	0	0	111.5	I29 K30 S34 I35 F36 D120 F123	I29-Q32 PolarHBondContact O-N 3.4Å; I29-Q32 VanDerWaalsContact O-N 3.11Å; K30-Q32 VanDerWaalsContact C-N 3.3Å; K30-Q32 PolarHBondContact O-N 3.02Å; Q32-S34 PolarHBondContact O-N 3.36Å; Q32-S34 VanDerWaalsContact O-N 3.12Å; Q32-I35 HydrophobicContact CB-CG1 4.25Å; Q32-I35 HydrophobicContact CG-CD1 3.89Å; Q32-I35 HydrophobicContact CG-CG1 3.55Å; Q32-I35 PolarHBondContact O-N 3.3Å; Q32-F36 WeakPolarHBondContact O-CB 3.35Å; Q32-F36 PolarHBondContact O-N 3.44Å; Q32-D120 PolarHBondContact NE2-OD2 3.28Å; Q32-D120 VanDerWaalsContact NE2-OD2 3.07Å; Q32-F123 HydrophobicContact CB-CD1 4.34Å; Q32-F123 HydrophobicContact CB-CE1 3.64Å; Q32-F123 HydrophobicContact CB-CE2 4.39Å; Q32-F123 HydrophobicContact CB-CZ 3.67Å; Q32-F123 HydrophobicContact CG-CD1 3.98Å; Q32-F123 HydrophobicContact CG-CE1 3.78Å; Q32-F123 HydrophobicContact CG-CZ 4.18Å
33	T	79.5	Confident	89.2	Confident	114 Å²	114	42.5 Å²	42.5	70%	0.699	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.3	-171.7	54.2	0	0	0	0	113.9	R31 I35	R31-T33 PolarHBondContact O-N 3.24Å; T33-I35 PolarHBondContact O-N 3.37Å
34	S	84.1	Confident	88.5	Confident	98 Å²	98	45.9 Å²	45.9	69%	0.685	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-35.3	-179.2	53.3	0	0	0	0	113.7	Q32	Q32-S34 PolarHBondContact O-N 3.36Å; Q32-S34 VanDerWaalsContact O-N 3.12Å
35	I	85	Confident	87.5	Confident	37 Å²	37	49.8 Å²	49.8	19%	0.19	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-6.9	-177.2	67.2	171.7	0	0	0	113.3	Q32 T33 Q37 A38 L39 L117 F123	Q32-I35 HydrophobicContact CB-CG1 4.25Å; Q32-I35 HydrophobicContact CG-CD1 3.89Å; Q32-I35 HydrophobicContact CG-CG1 3.55Å; Q32-I35 PolarHBondContact O-N 3.3Å; T33-I35 PolarHBondContact O-N 3.37Å; I35-Q37 PolarHBondContact O-N 3.2Å; I35-Q37 VanDerWaalsContact O-N 3.09Å; I35-A38 WeakPolarHBondContact O-CA 3.31Å; I35-A38 VanDerWaalsContact O-CB 3.3Å; I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 3.22Å; I35-L39 HydrophobicContact CD1-CD1 4.34Å; I35-L39 HydrophobicContact CG1-CD1 4.32Å; I35-L39 PolarHBondContact O-N 3.16Å; I35-L117 HydrophobicContact CD1-CB 4.22Å; I35-L117 HydrophobicContact CD1-CD2 4.24Å; I35-F123 HydrophobicContact CD1-CD1 4.12Å; I35-F123 HydrophobicContact CD1-CE1 4.36Å
36	F	87.2	Confident	86.4	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.026	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-51.9	-40.8	-171.9	-179.2	-96.3	0	0	0	113.4	I29 K30 Q32 A38 L39 V40 Y185 A186	I29-F36 HydrophobicContact CG2-CD2 4.05Å; I29-F36 HydrophobicContact CG2-CE2 4.01Å; K30-F36 HydrophobicContact CB-CE2 4.35Å; K30-F36 HydrophobicContact CD-CD1 4.37Å; K30-F36 HydrophobicContact CD-CD2 4.01Å; K30-F36 HydrophobicContact CD-CE1 3.9Å; K30-F36 HydrophobicContact CD-CE2 3.48Å; K30-F36 VanDerWaalsContact CD-CE2 3.48Å; K30-F36 HydrophobicContact CD-CG 4.43Å; K30-F36 HydrophobicContact CD-CZ 3.42Å; K30-F36 VanDerWaalsContact CD-CZ 3.42Å; Q32-F36 WeakPolarHBondContact O-CB 3.35Å; Q32-F36 PolarHBondContact O-N 3.44Å; F36-A38 VanDerWaalsContact C-N 3.26Å; F36-A38 PolarHBondContact O-N 2.84Å; F36-L39 WeakPolarHBondContact O-CA 3.44Å; F36-L39 WeakPolarHBondContact O-CB 3.39Å; F36-L39 PolarHBondContact O-N 2.77Å; F36-V40 HydrophobicContact CD1-CG2 4.48Å; F36-V40 HydrophobicContact CE1-CG2 4.02Å; F36-V40 HydrophobicContact CZ-CG2 4.43Å; F36-Y185 AromaticContact CE2-CE1 3.76Å; F36-Y185 HydrophobicContact CE2-CE1 3.76Å; F36-Y185 AromaticContact CE2-CZ 3.76Å; F36-Y185 HydrophobicContact CZ-CD1 4.06Å; F36-Y185 AromaticContact CZ-CE1 3.75Å; F36-Y185 HydrophobicContact CZ-CE1 3.75Å; F36-Y185 WeakPolarHBondContact CZ-O 3.45Å; F36-A186 WeakPolarHBondContact CE1-O 3.3Å
37	Q	86.7	Confident	85.3	Confident	127 Å²	127	58.8 Å²	58.8	59%	0.593	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-65.4	-27.6	178.4	-66.9	-59.3	-35.4	0	0	113.2	I35 L39 V40 A186	I35-Q37 PolarHBondContact O-N 3.2Å; I35-Q37 VanDerWaalsContact O-N 3.09Å; Q37-L39 PolarHBondContact O-N 3.17Å; Q37-V40 PolarHBondContact O-N 3.33Å; Q37-A186 PolarHBondContact NE2-O 3.26Å
38	A	84.2	Confident	84.3	Confident	72 Å²	72	58.6 Å²	58.6	60%	0.595	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-73.1	-17.1	171.9	0	0	0	0	0	112.6	I35 F36 V40	I35-A38 WeakPolarHBondContact O-CA 3.31Å; I35-A38 VanDerWaalsContact O-CB 3.3Å; I35-A38 WeakPolarHBondContact O-CB 3.36Å; I35-A38 PolarHBondContact O-N 3.22Å; F36-A38 VanDerWaalsContact C-N 3.26Å; F36-A38 PolarHBondContact O-N 2.84Å; A38-V40 VanDerWaalsContact C-N 3.3Å
39	L	88.6	Confident	83.3	Confident	1 Å²	1	59 Å²	59	1%	0.005	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-90.8	8.1	175.7	-50.5	-178.5	0	0	0	112.7	I29 I35 F36 Q37 T58 L59 F91 V116 L117	I29-L39 HydrophobicContact CG2-CD1 3.9Å; I35-L39 HydrophobicContact CD1-CD1 4.34Å; I35-L39 HydrophobicContact CG1-CD1 4.32Å; I35-L39 PolarHBondContact O-N 3.16Å; F36-L39 WeakPolarHBondContact O-CA 3.44Å; F36-L39 WeakPolarHBondContact O-CB 3.39Å; F36-L39 PolarHBondContact O-N 2.77Å; Q37-L39 PolarHBondContact O-N 3.17Å; L39-T58 CarbonylContact O-C 3.59Å; L39-T58 WeakPolarHBondContact O-CA 3.33Å; L39-L59 HydrophobicContact CB-CB 4.22Å; L39-L59 HydrophobicContact CD1-CD2 4.39Å; L39-L59 HydrophobicContact CD2-CD2 4.29Å; L39-L59 PolarHBondContact O-N 2.95Å; L39-F91 WeakPolarHBondContact O-CZ 3.42Å; L39-V116 HydrophobicContact CD2-CG1 4.21Å; L39-V116 WeakPolarHBondContact CD2-O 3.46Å; L39-L117 HydrophobicContact CD1-CD2 3.87Å; L39-L117 HydrophobicContact CD2-CD2 3.82Å
40	V	89.6	Confident	82.2	Confident	30 Å²	30	66.3 Å²	66.3	18%	0.182	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.2	172	-175.3	0	0	0	0	108.2	F36 Q37 A38 V56 T58 A186	F36-V40 HydrophobicContact CD1-CG2 4.48Å; F36-V40 HydrophobicContact CE1-CG2 4.02Å; F36-V40 HydrophobicContact CZ-CG2 4.43Å; Q37-V40 PolarHBondContact O-N 3.33Å; A38-V40 VanDerWaalsContact C-N 3.3Å; V40-V56 HydrophobicContact CG1-CB 4.08Å; V40-V56 HydrophobicContact CG1-CG1 4.32Å; V40-V56 HydrophobicContact CG1-CG2 4.41Å; V40-T58 HydrophobicContact CG2-CG2 4.02Å; V40-A186 HydrophobicContact CG1-CB 3.95Å; V40-A186 HydrophobicContact CG2-CB 3.99Å
41	Q	89.9	Confident	81.3	Confident	41 Å²	41	71.7 Å²	71.7	19%	0.192	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.5	-179	-65.7	-176	3.5	0	0	110.5	V56 K57 F91 S92	Q41-V56 CarbonylContact O-C 3.52Å; Q41-V56 VanDerWaalsContact O-CA 3.24Å; Q41-V56 WeakPolarHBondContact O-CA 3.5Å; Q41-K57 PolarHBondContact N-O 3.07Å; Q41-K57 PolarHBondContact O-N 3.45Å; Q41-F91 HydrophobicContact CB-CE2 4.35Å; Q41-F91 HydrophobicContact CB-CZ 4.48Å; Q41-F91 VanDerWaalsContact CD-CZ 3.44Å; Q41-F91 HydrophobicContact CG-CE1 4.27Å; Q41-F91 HydrophobicContact CG-CE2 3.98Å; Q41-F91 HydrophobicContact CG-CZ 3.68Å; Q41-S92 PolarHBondContact NE2-O 2.87Å
42	V	86.3	Confident	80.2	Confident	105 Å²	105	71.3 Å²	71.3	64%	0.636	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.7	170.5	-178.9	0	0	0	0	108.1	V54 D55 V56	V42-V54 HydrophobicContact CG1-CG1 4.21Å; V42-V54 HydrophobicContact CG2-CG1 3.97Å; V42-D55 WeakPolarHBondContact CA-O 2.84Å; V42-V56 HydrophobicContact CG2-CG1 4.41Å
43	K	84	Confident	79.2	Confident	13 Å²	13	74.9 Å²	74.9	6%	0.057	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-63.9	141.2	176	-69.1	-175.1	178.8	-178.5	0	109.5	E47 A48 D55 K57 E86 E87	K43-E47 HydrophobicContact CB-CB 4.21Å; K43-A48 HydrophobicContact CB-CB 3.92Å; K43-D55 PolarHBondContact N-O 3.13Å; K43-K57 HydrophobicContact CG-CB 4.28Å; K43-K57 HydrophobicContact CG-CD 4.34Å; K43-K57 HydrophobicContact CG-CG 4.22Å; K43-E86 IonicContact NZ-OE1 2.92Å; K43-E86 PolarHBondContact NZ-OE1 3.35Å; K43-E87 WeakPolarHBondContact CE-OE1 3.4Å; K43-E87 IonicContact NZ-OE1 2.81Å; K43-E87 PolarHBondContact NZ-OE1 3.47Å; K43-E87 IonicContact NZ-OE2 3.84Å
44	D	81.3	Confident	79	Confident	72 Å²	72	73.8 Å²	73.8	39%	0.385	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-67.7	166.1	174.4	68.7	43.8	0	0	0	111.1	T46 E47 A48	D44-T46 PolarHBondContact O-N 3.39Å; D44-T46 WeakPolarHBondContact OD1-CA 3.11Å; D44-T46 WeakPolarHBondContact OD1-CB 3.01Å; D44-T46 PolarHBondContact OD1-N 3.45Å; D44-T46 PolarHBondContact OD1-OG1 2.5Å; D44-E47 PolarHBondContact O-N 3.06Å; D44-E47 VanDerWaalsContact O-N 3.11Å; D44-E47 PolarHBondContact OD1-N 3.07Å; D44-A48 WeakPolarHBondContact O-CB 3.4Å; D44-A48 PolarHBondContact O-N 2.77Å
45	S	75.5	Confident	78.6	Confident	104 Å²	104	70 Å²	70	73%	0.727	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.8	-177.2	58.1	0	0	0	0	114.7
46	T	74.1	Confident	78.7	Confident	121 Å²	121	69.3 Å²	69.3	74%	0.742	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-24.7	178.3	62.8	0	0	0	0	112.4	D44	D44-T46 PolarHBondContact O-N 3.39Å; D44-T46 WeakPolarHBondContact OD1-CA 3.11Å; D44-T46 WeakPolarHBondContact OD1-CB 3.01Å; D44-T46 PolarHBondContact OD1-N 3.45Å; D44-T46 PolarHBondContact OD1-OG1 2.5Å
47	E	72.6	Confident	78.8	Confident	67 Å²	67	69.6 Å²	69.6	31%	0.313	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-33.7	176.9	-72.1	168.6	-158.4	0	0	112.5	K43 D44 N49 K57 N88	K43-E47 HydrophobicContact CB-CB 4.21Å; D44-E47 PolarHBondContact O-N 3.06Å; D44-E47 VanDerWaalsContact O-N 3.11Å; D44-E47 PolarHBondContact OD1-N 3.07Å; E47-N49 PolarHBondContact O-N 2.8Å; E47-K57 IonicContact OE2-NZ 2.77Å; E47-K57 PolarHBondContact OE2-NZ 2.76Å; E47-N88 PolarHBondContact OE1-ND2 2.92Å; E47-N88 PolarHBondContact OE2-ND2 3.02Å
48	A	71.5	Confident	79.1	Confident	24 Å²	24	63.5 Å²	63.5	20%	0.198	37%	0.365	C	S	.	.	S	Bend	trans	-66.3	133.3	-171.6	0	0	0	0	0	112.4	K43 D44 L50 D55	K43-A48 HydrophobicContact CB-CB 3.92Å; D44-A48 WeakPolarHBondContact O-CB 3.4Å; D44-A48 PolarHBondContact O-N 2.77Å; A48-L50 PolarHBondContact O-N 2.83Å; A48-L50 VanDerWaalsContact O-N 3.16Å; A48-D55 WeakPolarHBondContact CA-OD2 3.1Å; A48-D55 HydrophobicContact CB-CB 4.05Å
49	N	71.9	Confident	79.6	Confident	24 Å²	24	60.1 Å²	60.1	13%	0.128	34%	0.336	C	S	.	.			trans	-73.4	104.9	165.2	-179.3	-6.4	0	0	0	109.6	E47 R51 F52 D55 F407	E47-N49 PolarHBondContact O-N 2.8Å; N49-R51 PolarHBondContact O-N 3.35Å; N49-R51 WeakPolarHBondContact OD1-CB 3.33Å; N49-R51 WeakPolarHBondContact OD1-CG 3.32Å; N49-R51 PolarHBondContact OD1-N 3.05Å; N49-R51 VanDerWaalsContact OD1-N 3.16Å; N49-F52 HydrophobicContact CB-CD2 3.86Å; N49-F52 HydrophobicContact CB-CE2 4.13Å; N49-F52 VanDerWaalsContact ND2-CE2 3.35Å; N49-F52 WeakPolarHBondContact ND2-CE2 3.46Å; N49-F52 PolarHBondContact O-N 2.86Å; N49-D55 WeakPolarHBondContact CB-OD2 3.25Å; N49-D55 PolarHBondContact N-OD2 3.28Å; N49-F407 WeakPolarHBondContact ND2-CE2 3.45Å
50	L	72.4	Confident	80	Confident	155 Å²	155	60 Å²	60	81%	0.812	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-5.7	-178.6	-62	173.6	0	0	0	115.3	A48	A48-L50 PolarHBondContact O-N 2.83Å; A48-L50 VanDerWaalsContact O-N 3.16Å
51	R	69.9	Low	80.4	Confident	123 Å²	123	58.6 Å²	58.6	46%	0.464	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-14.8	177.3	-57.4	-171.2	-167.5	128.2	-0.2	113.4	N49 P404 N405	N49-R51 PolarHBondContact O-N 3.35Å; N49-R51 WeakPolarHBondContact OD1-CB 3.33Å; N49-R51 WeakPolarHBondContact OD1-CG 3.32Å; N49-R51 PolarHBondContact OD1-N 3.05Å; N49-R51 VanDerWaalsContact OD1-N 3.16Å; R51-P404 VanDerWaalsContact CZ-CG 3.45Å; R51-P404 VanDerWaalsContact NH1-C 3.27Å; R51-P404 PolarHBondContact NH1-O 2.76Å; R51-P404 VanDerWaalsContact NH2-CG 3.32Å; R51-N405 WeakPolarHBondContact CD-OD1 3.17Å
52	F	63.9	Low	80.7	Confident	110 Å²	110	56.7 Å²	56.7	48%	0.482	32%	0.318	S	S	.	.	S	Bend	trans	-91.8	145.4	170.6	-60.9	-64.8	0	0	0	110.3	N49 V54 D55	N49-F52 HydrophobicContact CB-CD2 3.86Å; N49-F52 HydrophobicContact CB-CE2 4.13Å; N49-F52 VanDerWaalsContact ND2-CE2 3.35Å; N49-F52 WeakPolarHBondContact ND2-CE2 3.46Å; N49-F52 PolarHBondContact O-N 2.86Å; F52-V54 VanDerWaalsContact C-N 3.3Å; F52-D55 HydrophobicContact CB-CB 4.35Å
53	S	65.7	Low	81.2	Confident	129 Å²	129	51.7 Å²	51.7	90%	0.902	29%	0.288	S	S	*	.	S	Bend	trans	-67.1	-34.6	176.7	51.5	0	0	0	0	112.2
54	V	74.2	Confident	81.9	Confident	91 Å²	91	51 Å²	51	55%	0.552	29%	0.285	S	S	*	.	S	Bend	trans	-143.4	118.4	170	-176.1	0	0	0	0	106.8	V42 F52 V56	V42-V54 HydrophobicContact CG1-CG1 4.21Å; V42-V54 HydrophobicContact CG2-CG1 3.97Å; F52-V54 VanDerWaalsContact C-N 3.3Å; V54-V56 HydrophobicContact CG1-CG1 3.91Å
55	D	76.5	Confident	82.7	Confident	19 Å²	19	47.7 Å²	47.7	10%	0.102	27%	0.267	C	S	.	.			trans	-100.5	130.1	175.6	-164.5	7.1	0	0	0	109.5	V42 K43 A48 N49 F52	V42-D55 WeakPolarHBondContact CA-O 2.84Å; K43-D55 PolarHBondContact N-O 3.13Å; A48-D55 WeakPolarHBondContact CA-OD2 3.1Å; A48-D55 HydrophobicContact CB-CB 4.05Å; N49-D55 WeakPolarHBondContact CB-OD2 3.25Å; N49-D55 PolarHBondContact N-OD2 3.28Å; F52-D55 HydrophobicContact CB-CB 4.35Å
56	V	87.3	Confident	83.7	Confident	22 Å²	22	43.6 Å²	43.6	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	151	-171	-61.6	0	0	0	0	111.1	V40 Q41 V42 V54 T182	V40-V56 HydrophobicContact CG1-CB 4.08Å; V40-V56 HydrophobicContact CG1-CG1 4.32Å; V40-V56 HydrophobicContact CG1-CG2 4.41Å; Q41-V56 CarbonylContact O-C 3.52Å; Q41-V56 VanDerWaalsContact O-CA 3.24Å; Q41-V56 WeakPolarHBondContact O-CA 3.5Å; V42-V56 HydrophobicContact CG2-CG1 4.41Å; V54-V56 HydrophobicContact CG1-CG1 3.91Å; V56-T182 HydrophobicContact CG2-CG2 4.21Å
57	K	89.9	Confident	84.8	Confident	11 Å²	11	37.9 Å²	37.9	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.7	163.7	63.5	-174.7	-178	-171.1	0	110.2	Q41 K43 E47 V62 E87 N88 R90	Q41-K57 PolarHBondContact N-O 3.07Å; Q41-K57 PolarHBondContact O-N 3.45Å; K43-K57 HydrophobicContact CG-CB 4.28Å; K43-K57 HydrophobicContact CG-CD 4.34Å; K43-K57 HydrophobicContact CG-CG 4.22Å; E47-K57 IonicContact OE2-NZ 2.77Å; E47-K57 PolarHBondContact OE2-NZ 2.76Å; K57-V62 HydrophobicContact CD-CG2 4.25Å; K57-E87 WeakPolarHBondContact CD-OE2 3.44Å; K57-N88 PolarHBondContact NZ-OD1 2.93Å; K57-R90 PolarHBondContact NZ-O 3.47Å; K57-R90 VanDerWaalsContact NZ-O 3.15Å
58	T	92.6	Very high	86	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	164.8	172.3	73.4	0	0	0	0	111.4	L39 V40 A60 D61 V62 T182 Y185	L39-T58 CarbonylContact O-C 3.59Å; L39-T58 WeakPolarHBondContact O-CA 3.33Å; V40-T58 HydrophobicContact CG2-CG2 4.02Å; T58-A60 PolarHBondContact O-N 3.42Å; T58-A60 WeakPolarHBondContact OG1-CB 3.43Å; T58-A60 PolarHBondContact OG1-N 2.71Å; T58-D61 WeakPolarHBondContact CA-OD2 3.48Å; T58-D61 VanDerWaalsContact CB-OD2 3.3Å; T58-D61 WeakPolarHBondContact CB-OD2 3.17Å; T58-D61 PolarHBondContact N-OD2 3.41Å; T58-D61 WeakPolarHBondContact O-CB 3.48Å; T58-D61 PolarHBondContact O-N 3.3Å; T58-D61 VanDerWaalsContact O-N 3.16Å; T58-D61 PolarHBondContact OG1-N 3.25Å; T58-D61 PolarHBondContact OG1-OD2 3.42Å; T58-V62 PolarHBondContact O-N 2.88Å; T58-T182 HydrophobicContact CG2-CG2 3.95Å; T58-Y185 HydrophobicContact CG2-CD1 3.72Å; T58-Y185 HydrophobicContact CG2-CE1 3.98Å; T58-Y185 WeakPolarHBondContact OG1-CE1 3.48Å
59	L	95	Very high	87.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.8	-33.4	169.2	174.9	61.1	0	0	0	111.3	I29 L39 D61 V62 L63 F91 I101 L113 V116 L117	I29-L59 HydrophobicContact CD1-CD2 4.4Å; I29-L59 HydrophobicContact CD1-CG 4.21Å; L39-L59 HydrophobicContact CB-CB 4.22Å; L39-L59 HydrophobicContact CD1-CD2 4.39Å; L39-L59 HydrophobicContact CD2-CD2 4.29Å; L39-L59 PolarHBondContact O-N 2.95Å; L59-D61 VanDerWaalsContact C-N 3.33Å; L59-D61 PolarHBondContact O-N 2.8Å; L59-V62 PolarHBondContact O-N 3.33Å; L59-L63 HydrophobicContact CD1-CB 4.43Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 PolarHBondContact O-N 3.21Å; L59-F91 HydrophobicContact CB-CE1 4.12Å; L59-F91 HydrophobicContact CB-CE2 4.37Å; L59-F91 HydrophobicContact CB-CZ 3.99Å; L59-F91 HydrophobicContact CD1-CD1 4.35Å; L59-F91 HydrophobicContact CD1-CG 4.45Å; L59-I101 HydrophobicContact CD1-CD1 3.68Å; L59-L113 HydrophobicContact CD1-CD2 4Å; L59-L113 HydrophobicContact CD2-CD2 4.23Å; L59-V116 HydrophobicContact CD1-CG1 4.1Å; L59-V116 HydrophobicContact CD2-CG1 3.92Å; L59-V116 HydrophobicContact CG-CG1 4.47Å; L59-L117 HydrophobicContact CD2-CD2 3.61Å; L59-L117 HydrophobicContact CD2-CG 4.48Å
60	A	96.7	Very high	88.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-43.7	178.4	0	0	0	0	0	111	I29 T58 V62 L63 I64 I179 Y185	I29-A60 HydrophobicContact CD1-CB 3.74Å; T58-A60 PolarHBondContact O-N 3.42Å; T58-A60 WeakPolarHBondContact OG1-CB 3.43Å; T58-A60 PolarHBondContact OG1-N 2.71Å; A60-V62 PolarHBondContact O-N 3.11Å; A60-L63 PolarHBondContact O-N 3.39Å; A60-I64 HydrophobicContact CB-CD1 4.18Å; A60-I64 WeakPolarHBondContact O-CB 3.49Å; A60-I64 WeakPolarHBondContact O-CD1 2.94Å; A60-I64 WeakPolarHBondContact O-CG1 2.87Å; A60-I64 PolarHBondContact O-N 3.43Å; A60-I179 HydrophobicContact CB-CD1 4.32Å; A60-I179 HydrophobicContact CB-CG1 4.19Å; A60-Y185 HydrophobicContact CB-CE1 3.78Å
61	D	96.6	Very high	89.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-53.1	179	-61.1	-83.8	0	0	0	111.7	T58 L59 Q65 E87 P178 I179 T182	T58-D61 WeakPolarHBondContact CA-OD2 3.48Å; T58-D61 VanDerWaalsContact CB-OD2 3.3Å; T58-D61 WeakPolarHBondContact CB-OD2 3.17Å; T58-D61 PolarHBondContact N-OD2 3.41Å; T58-D61 WeakPolarHBondContact O-CB 3.48Å; T58-D61 PolarHBondContact O-N 3.3Å; T58-D61 VanDerWaalsContact O-N 3.16Å; T58-D61 PolarHBondContact OG1-N 3.25Å; T58-D61 PolarHBondContact OG1-OD2 3.42Å; L59-D61 VanDerWaalsContact C-N 3.33Å; L59-D61 PolarHBondContact O-N 2.8Å; D61-Q65 WeakPolarHBondContact O-CB 3.26Å; D61-Q65 PolarHBondContact O-N 2.87Å; D61-E87 HydrophobicContact CB-CG 3.6Å; D61-P178 HydrophobicContact CB-CG 3.89Å; D61-P178 VanDerWaalsContact O-CB 3.3Å; D61-P178 WeakPolarHBondContact O-CB 3.36Å; D61-P178 WeakPolarHBondContact O-CG 3.49Å; D61-I179 WeakPolarHBondContact OD1-CB 3.49Å; D61-T182 WeakPolarHBondContact OD2-CG2 3.02Å
62	V	96.1	Very high	90.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-47.2	-178.4	-179.8	0	0	0	0	111.2	K57 T58 L59 A60 E66 F91 I101	K57-V62 HydrophobicContact CD-CG2 4.25Å; T58-V62 PolarHBondContact O-N 2.88Å; L59-V62 PolarHBondContact O-N 3.33Å; A60-V62 PolarHBondContact O-N 3.11Å; V62-E66 WeakPolarHBondContact O-CG 3.01Å; V62-E66 PolarHBondContact O-N 2.73Å; V62-F91 HydrophobicContact CG2-CD2 3.99Å; V62-I101 HydrophobicContact CG1-CB 4.29Å; V62-I101 HydrophobicContact CG1-CD1 3.88Å; V62-I101 HydrophobicContact CG1-CG1 4.41Å
63	L	97.5	Very high	92.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-43.6	-175	-175.2	59.7	0	0	0	112	I25 I29 L59 A60 Q65 E66 V67 I101 L109	I25-L63 HydrophobicContact CG2-CD2 4.06Å; I25-L63 HydrophobicContact CG2-CG 4.48Å; I29-L63 HydrophobicContact CD1-CD2 4.43Å; L59-L63 HydrophobicContact CD1-CB 4.43Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 PolarHBondContact O-N 3.21Å; A60-L63 PolarHBondContact O-N 3.39Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 2.81Å; L63-E66 PolarHBondContact O-N 3.41Å; L63-V67 HydrophobicContact CD1-CG2 4.27Å; L63-V67 HydrophobicContact CG-CG2 4.33Å; L63-V67 WeakPolarHBondContact O-CB 3.43Å; L63-V67 WeakPolarHBondContact O-CG2 3.37Å; L63-V67 PolarHBondContact O-N 3.17Å; L63-I101 HydrophobicContact CD1-CG2 4.04Å; L63-L109 HydrophobicContact CD1-CD1 4.12Å; L63-L109 HydrophobicContact CD1-CD2 4.22Å
64	I	98.3	Very high	93.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-46.2	178.6	-74.7	168.2	0	0	0	110.3	A22 I25 A26 A60 E66 V67 V68 I176 P178 I179 I239	A22-I64 HydrophobicContact CB-CB 4.37Å; A22-I64 HydrophobicContact CB-CD1 4.26Å; A22-I64 HydrophobicContact CB-CG1 4.11Å; A22-I64 HydrophobicContact CB-CG2 3.45Å; A22-I64 VanDerWaalsContact CB-CG2 3.45Å; A22-I64 WeakPolarHBondContact O-CD1 3.14Å; I25-I64 HydrophobicContact CB-CG1 4.1Å; I25-I64 HydrophobicContact CD1-CG1 4.49Å; I25-I64 HydrophobicContact CG2-CD1 4.41Å; I25-I64 HydrophobicContact CG2-CG1 3.9Å; A26-I64 HydrophobicContact CB-CD1 4.06Å; A60-I64 HydrophobicContact CB-CD1 4.18Å; A60-I64 WeakPolarHBondContact O-CB 3.49Å; A60-I64 WeakPolarHBondContact O-CD1 2.94Å; A60-I64 WeakPolarHBondContact O-CG1 2.87Å; A60-I64 PolarHBondContact O-N 3.43Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 3.09Å; I64-V67 PolarHBondContact O-N 3.34Å; I64-V68 HydrophobicContact CG2-CG2 4.46Å; I64-V68 WeakPolarHBondContact O-CG2 3.19Å; I64-V68 PolarHBondContact O-N 2.83Å; I64-I176 HydrophobicContact CG2-CD1 4.05Å; I64-P178 HydrophobicContact CB-CB 3.91Å; I64-P178 HydrophobicContact CG2-CB 3.65Å; I64-I179 HydrophobicContact CD1-CD1 3.69Å; I64-I179 HydrophobicContact CD1-CG1 4.24Å; I64-I239 HydrophobicContact CD1-CD1 4.38Å
65	Q	97.7	Very high	94.6	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-44.8	-179.7	-170.5	178.7	-82.6	0	0	111.7	D61 L63 V68 K69 G85 E87 I176 P178	D61-Q65 WeakPolarHBondContact O-CB 3.26Å; D61-Q65 PolarHBondContact O-N 2.87Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 2.81Å; Q65-V68 PolarHBondContact O-N 2.99Å; Q65-K69 VanDerWaalsContact NE2-NZ 3.13Å; Q65-K69 WeakPolarHBondContact O-CG 3.5Å; Q65-K69 PolarHBondContact O-N 3.24Å; Q65-G85 VanDerWaalsContact OE1-C 3.31Å; Q65-G85 VanDerWaalsContact OE1-CA 3.28Å; Q65-E87 PolarHBondContact NE2-O 2.88Å; Q65-E87 VanDerWaalsContact OE1-N 3.09Å; Q65-I176 HydrophobicContact CG-CG2 3.75Å; Q65-P178 HydrophobicContact CB-CB 4.41Å; Q65-P178 HydrophobicContact CB-CG 4.49Å
66	E	97.3	Very high	95.4	Very high	17 Å²	17	19.7 Å²	19.7	8%	0.079	10%	0.097	C	C	.	.	H	α-helix	trans	-71.4	-32.8	179.2	-65.3	-60.6	117.6	0	0	112.6	V62 L63 I64 K69 Y70 N89 I101 L103	V62-E66 WeakPolarHBondContact O-CG 3.01Å; V62-E66 PolarHBondContact O-N 2.73Å; L63-E66 PolarHBondContact O-N 3.41Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 3.09Å; E66-K69 VanDerWaalsContact OE1-CD 3.32Å; E66-K69 WeakPolarHBondContact OE1-CD 2.91Å; E66-K69 IonicContact OE1-NZ 3.07Å; E66-K69 PolarHBondContact OE1-NZ 3.08Å; E66-Y70 WeakPolarHBondContact O-CB 3.32Å; E66-Y70 PolarHBondContact O-N 2.94Å; E66-N89 HydrophobicContact CG-CB 3.98Å; E66-I101 HydrophobicContact CB-CG2 4.43Å; E66-I101 HydrophobicContact CG-CG2 4.5Å; E66-L103 HydrophobicContact CB-CD1 3.78Å
67	V	97.9	Very high	95.6	Very high	2 Å²	2	24 Å²	24	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-47.2	172.6	168.7	0	0	0	0	111.1	K21 I25 L63 I64 K69 Y70 D71 L103 C131	K21-V67 HydrophobicContact CD-CG1 3.93Å; K21-V67 HydrophobicContact CG-CG1 4.23Å; I25-V67 HydrophobicContact CD1-CB 4.28Å; I25-V67 HydrophobicContact CD1-CG1 4.09Å; I25-V67 HydrophobicContact CD1-CG2 3.9Å; L63-V67 HydrophobicContact CD1-CG2 4.27Å; L63-V67 HydrophobicContact CG-CG2 4.33Å; L63-V67 WeakPolarHBondContact O-CB 3.43Å; L63-V67 WeakPolarHBondContact O-CG2 3.37Å; L63-V67 PolarHBondContact O-N 3.17Å; I64-V67 PolarHBondContact O-N 3.34Å; V67-K69 PolarHBondContact O-N 2.79Å; V67-Y70 PolarHBondContact O-N 3.16Å; V67-D71 PolarHBondContact O-N 2.79Å; V67-L103 HydrophobicContact CB-CD2 4.41Å; V67-L103 HydrophobicContact CG2-CD1 4.27Å; V67-L103 HydrophobicContact CG2-CD2 3.84Å; V67-C131 HydrophobicContact CG2-CB 3.89Å; V67-C131 VanDerWaalsContact CG2-SG 3.6Å
68	V	97.7	Very high	95.2	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-42	179	173.8	0	0	0	0	111.1	C18 I64 Q65 Y70 L72 V83 I176 L241	C18-V68 HydrophobicContact CB-CG1 4.38Å; C18-V68 HydrophobicContact CB-CG2 4.14Å; I64-V68 HydrophobicContact CG2-CG2 4.46Å; I64-V68 WeakPolarHBondContact O-CG2 3.19Å; I64-V68 PolarHBondContact O-N 2.83Å; Q65-V68 PolarHBondContact O-N 2.99Å; V68-Y70 VanDerWaalsContact C-N 3.33Å; V68-Y70 PolarHBondContact O-N 3.35Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 WeakPolarHBondContact O-CB 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.42Å; V68-L72 PolarHBondContact O-N 3.31Å; V68-V83 HydrophobicContact CG1-CG1 4.5Å; V68-I176 HydrophobicContact CB-CD1 3.94Å; V68-I176 HydrophobicContact CG1-CD1 4.21Å; V68-I176 HydrophobicContact CG2-CD1 3.73Å; V68-L241 HydrophobicContact CG1-CD2 4.02Å
69	K	96.7	Very high	95	Very high	45 Å²	45	26 Å²	26	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-56.7	-47	173	-76.4	174.2	-176	170.8	0	111.7	Q65 E66 V67 N73 V83	Q65-K69 VanDerWaalsContact NE2-NZ 3.13Å; Q65-K69 WeakPolarHBondContact O-CG 3.5Å; Q65-K69 PolarHBondContact O-N 3.24Å; E66-K69 VanDerWaalsContact OE1-CD 3.32Å; E66-K69 WeakPolarHBondContact OE1-CD 2.91Å; E66-K69 IonicContact OE1-NZ 3.07Å; E66-K69 PolarHBondContact OE1-NZ 3.08Å; V67-K69 PolarHBondContact O-N 2.79Å; K69-N73 VanDerWaalsContact O-CB 3.26Å; K69-N73 WeakPolarHBondContact O-CB 3.19Å; K69-N73 PolarHBondContact O-N 3.15Å; K69-N73 VanDerWaalsContact O-N 3.1Å; K69-V83 WeakPolarHBondContact CE-O 3.3Å; K69-V83 HydrophobicContact CG-CB 3.82Å; K69-V83 HydrophobicContact CG-CG1 3.6Å
70	Y	96.5	Very high	94.4	Very high	66 Å²	66	29 Å²	29	26%	0.259	17%	0.165	S	C	.	.	H	α-helix	trans	-63.5	-51.8	-179.6	176.7	-94.2	0	0	0	112.2	E66 V67 V68 L72 N73 L74 L103 F132	E66-Y70 WeakPolarHBondContact O-CB 3.32Å; E66-Y70 PolarHBondContact O-N 2.94Å; V67-Y70 PolarHBondContact O-N 3.16Å; V68-Y70 VanDerWaalsContact C-N 3.33Å; V68-Y70 PolarHBondContact O-N 3.35Å; Y70-L72 PolarHBondContact O-N 3.49Å; Y70-N73 PolarHBondContact O-N 2.93Å; Y70-L74 HydrophobicContact CE1-CD2 4.4Å; Y70-L74 WeakPolarHBondContact O-CB 3.24Å; Y70-L74 PolarHBondContact O-N 3.25Å; Y70-L103 HydrophobicContact CD1-CB 4.46Å; Y70-L103 HydrophobicContact CD1-CD2 3.9Å; Y70-L103 HydrophobicContact CD2-CB 3.53Å; Y70-L103 HydrophobicContact CD2-CD2 4.44Å; Y70-L103 HydrophobicContact CE2-CB 4.19Å; Y70-L103 HydrophobicContact CG-CB 3.7Å; Y70-L103 HydrophobicContact CG-CD2 3.79Å; Y70-L103 HydrophobicContact CG-CG 4.4Å; Y70-F132 HydrophobicContact CE1-CD1 4.3Å; Y70-F132 HydrophobicContact CE1-CE1 4.19Å; Y70-F132 HydrophobicContact CE2-CE1 4.32Å; Y70-F132 AromaticContact CZ-CE1 3.83Å
71	D	97.2	Very high	93.9	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.043	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-176.4	-76.4	-33.3	0	0	0	111.7	K21 V67 N73 L74 L75	K21-D71 VanDerWaalsContact CD-OD2 3.23Å; K21-D71 WeakPolarHBondContact CD-OD2 3.43Å; K21-D71 WeakPolarHBondContact CE-OD2 3.48Å; K21-D71 VanDerWaalsContact NZ-CG 3.32Å; K21-D71 IonicContact NZ-OD1 2.77Å; K21-D71 PolarHBondContact NZ-OD1 2.83Å; K21-D71 IonicContact NZ-OD2 2.73Å; K21-D71 PolarHBondContact NZ-OD2 3.38Å; V67-D71 PolarHBondContact O-N 2.79Å; D71-N73 VanDerWaalsContact C-N 3.34Å; D71-N73 PolarHBondContact O-N 2.9Å; D71-L74 WeakPolarHBondContact O-CB 3.35Å; D71-L74 PolarHBondContact O-N 2.82Å; D71-L75 WeakPolarHBondContact O-CG 3.44Å; D71-L75 PolarHBondContact O-N 2.77Å; D71-L75 VanDerWaalsContact O-N 3.07Å
72	L	96	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-36.7	177.5	-68.6	178.4	0	0	0	112	L15 V68 Y70 L74 L75 F76 F79 V83 V174	L15-L72 HydrophobicContact CD2-CD1 3.99Å; L15-L72 HydrophobicContact CD2-CD2 4.29Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 WeakPolarHBondContact O-CB 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.42Å; V68-L72 PolarHBondContact O-N 3.31Å; Y70-L72 PolarHBondContact O-N 3.49Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-L75 PolarHBondContact O-N 3.28Å; L72-F76 HydrophobicContact CD2-CE2 4.43Å; L72-F76 WeakPolarHBondContact O-CA 3.41Å; L72-F76 WeakPolarHBondContact O-CB 3.48Å; L72-F76 WeakPolarHBondContact O-CD2 3.37Å; L72-F76 PolarHBondContact O-N 3.23Å; L72-F79 HydrophobicContact CB-CD1 4.04Å; L72-F79 HydrophobicContact CD1-CD1 4.38Å; L72-F79 HydrophobicContact CD1-CE1 4.29Å; L72-V83 HydrophobicContact CB-CG2 4.42Å; L72-V83 HydrophobicContact CD1-CG2 3.75Å; L72-V174 HydrophobicContact CD1-CG2 4.37Å
73	N	95	Very high	93.7	Very high	53 Å²	53	34.5 Å²	34.5	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-70.2	-31	175	-175.2	68.2	0	0	0	112.9	K69 Y70 D71 F76 P77 G78 F79 N80	K69-N73 VanDerWaalsContact O-CB 3.26Å; K69-N73 WeakPolarHBondContact O-CB 3.19Å; K69-N73 PolarHBondContact O-N 3.15Å; K69-N73 VanDerWaalsContact O-N 3.1Å; Y70-N73 PolarHBondContact O-N 2.93Å; D71-N73 VanDerWaalsContact C-N 3.34Å; D71-N73 PolarHBondContact O-N 2.9Å; N73-F76 CarbonylContact O-C 3.36Å; N73-P77 WeakPolarHBondContact O-CA 3.33Å; N73-G78 PolarHBondContact OD1-N 2.96Å; N73-F79 PolarHBondContact OD1-N 3.42Å; N73-N80 HydrophobicContact CB-CB 3.85Å; N73-N80 PolarHBondContact OD1-N 3.47Å
74	L	94.4	Very high	93.6	Very high	113 Å²	113	35.8 Å²	35.8	59%	0.592	20%	0.201	S	C	*	.	H	α-helix	trans	-66.6	-40.4	174.3	-176.5	65	0	0	0	111.4	Y70 D71 L72	Y70-L74 HydrophobicContact CE1-CD2 4.4Å; Y70-L74 WeakPolarHBondContact O-CB 3.24Å; Y70-L74 PolarHBondContact O-N 3.25Å; D71-L74 WeakPolarHBondContact O-CB 3.35Å; D71-L74 PolarHBondContact O-N 2.82Å; L72-L74 VanDerWaalsContact C-N 3.34Å
75	L	93.7	Very high	93.3	Very high	56 Å²	56	36.2 Å²	36.2	29%	0.293	21%	0.205	S	C	.	.	H	α-helix	trans	-77.4	-37.9	178.3	-68.1	174.8	0	0	0	112.8	M1 D71 L72 L135	M1-L75 HydrophobicContact CE-CD1 4.06Å; D71-L75 WeakPolarHBondContact O-CG 3.44Å; D71-L75 PolarHBondContact O-N 2.77Å; D71-L75 VanDerWaalsContact O-N 3.07Å; L72-L75 PolarHBondContact O-N 3.28Å; L75-L135 HydrophobicContact CD1-CD2 3.6Å
76	F	93.1	Very high	93	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.075	21%	0.213	C	C	.	.	S	Bend	trans	-129.4	87.6	-177.1	-47.9	-76.2	0	0	0	109.1	L7 Q10 L11 L72 N73 G78 F79 I169	L7-F76 HydrophobicContact CD1-CD1 3.89Å; L7-F76 HydrophobicContact CD1-CE1 3.63Å; Q10-F76 HydrophobicContact CB-CE1 4.16Å; Q10-F76 HydrophobicContact CB-CZ 3.99Å; L11-F76 HydrophobicContact CD2-CD2 4.04Å; L11-F76 HydrophobicContact CD2-CE2 3.74Å; L11-F76 HydrophobicContact CD2-CZ 4.04Å; L11-F76 HydrophobicContact CG-CE2 4.38Å; L11-F76 HydrophobicContact CG-CZ 4.19Å; L72-F76 HydrophobicContact CD2-CE2 4.43Å; L72-F76 WeakPolarHBondContact O-CA 3.41Å; L72-F76 WeakPolarHBondContact O-CB 3.48Å; L72-F76 WeakPolarHBondContact O-CD2 3.37Å; L72-F76 PolarHBondContact O-N 3.23Å; N73-F76 CarbonylContact O-C 3.36Å; F76-G78 PolarHBondContact O-N 2.93Å; F76-F79 HydrophobicContact CB-CB 4.02Å; F76-F79 HydrophobicContact CB-CG 4.5Å; F76-F79 WeakPolarHBondContact O-CB 3.46Å; F76-F79 PolarHBondContact O-N 2.98Å; F76-F79 VanDerWaalsContact O-N 3.08Å; F76-I169 HydrophobicContact CB-CD1 3.82Å; F76-I169 HydrophobicContact CB-CG1 3.96Å; F76-I169 HydrophobicContact CD1-CD1 3.97Å; F76-I169 HydrophobicContact CD2-CD1 4.45Å; F76-I169 HydrophobicContact CG-CD1 3.82Å; F76-I169 HydrophobicContact CG-CG1 4.49Å
77	P	91.1	Very high	92.7	Very high	111 Å²	111	37.6 Å²	37.6	72%	0.721	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	129.6	-175.6	-29	36.3	0	0	0	113.3	N73	N73-P77 WeakPolarHBondContact O-CA 3.33Å
78	G	83.2	Confident	92.4	Very high	52 Å²	52	39.4 Å²	39.4	54%	0.536	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-0.9	-177.8	0	0	0	0	0	114.3	N73 F76	N73-G78 PolarHBondContact OD1-N 2.96Å; F76-G78 PolarHBondContact O-N 2.93Å
79	F	88.1	Confident	92.1	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	23%	0.233	C	C	.	.			trans	-82.4	-11.1	-177.7	-158.3	-115.2	0	0	0	114.4	L72 N73 F76 D81 S82 V83 I169 F172 V174	L72-F79 HydrophobicContact CB-CD1 4.04Å; L72-F79 HydrophobicContact CD1-CD1 4.38Å; L72-F79 HydrophobicContact CD1-CE1 4.29Å; N73-F79 PolarHBondContact OD1-N 3.42Å; F76-F79 HydrophobicContact CB-CB 4.02Å; F76-F79 HydrophobicContact CB-CG 4.5Å; F76-F79 WeakPolarHBondContact O-CB 3.46Å; F76-F79 PolarHBondContact O-N 2.98Å; F76-F79 VanDerWaalsContact O-N 3.08Å; F79-D81 VanDerWaalsContact C-N 3.26Å; F79-D81 PolarHBondContact O-N 3.38Å; F79-S82 WeakPolarHBondContact O-CA 3.18Å; F79-S82 WeakPolarHBondContact O-CB 3.4Å; F79-S82 PolarHBondContact O-N 3.28Å; F79-V83 HydrophobicContact CD1-CG2 3.93Å; F79-V83 HydrophobicContact CE1-CG2 4.12Å; F79-V83 PolarHBondContact O-N 3.15Å; F79-I169 HydrophobicContact CB-CG1 4.4Å; F79-I169 HydrophobicContact CD2-CD1 3.8Å; F79-I169 HydrophobicContact CD2-CG1 3.35Å; F79-I169 HydrophobicContact CE2-CD1 3.83Å; F79-I169 HydrophobicContact CE2-CG1 3.73Å; F79-I169 HydrophobicContact CG-CD1 4.29Å; F79-I169 HydrophobicContact CG-CG1 4.04Å; F79-I169 HydrophobicContact CZ-CD1 4.34Å; F79-F172 HydrophobicContact CE2-CB 3.94Å; F79-F172 HydrophobicContact CZ-CB 3.97Å; F79-V174 HydrophobicContact CE1-CG2 3.64Å; F79-V174 HydrophobicContact CZ-CG2 3.92Å
80	N	82.5	Confident	91.9	Very high	63 Å²	63	45.1 Å²	45.1	34%	0.337	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-53	-42.1	178.1	64	-37.3	0	0	0	112.8	N73 S82 V83	N73-N80 HydrophobicContact CB-CB 3.85Å; N73-N80 PolarHBondContact OD1-N 3.47Å; N80-S82 PolarHBondContact O-N 2.9Å; N80-V83 PolarHBondContact O-N 3.07Å
81	D	86.3	Confident	91.8	Very high	98 Å²	98	42 Å²	42	52%	0.524	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-74.3	-6.1	-179.3	-65.4	-18	0	0	0	112.7	F79 F84	F79-D81 VanDerWaalsContact C-N 3.26Å; F79-D81 PolarHBondContact O-N 3.38Å; D81-F84 VanDerWaalsContact O-CE1 3.27Å; D81-F84 WeakPolarHBondContact O-CE1 3.06Å
82	S	92.6	Very high	91.5	Very high	13 Å²	13	43.6 Å²	43.6	9%	0.091	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-105	7.3	175.2	-65.1	0	0	0	0	113	F79 N80 F84 G173 V174 K468	F79-S82 WeakPolarHBondContact O-CA 3.18Å; F79-S82 WeakPolarHBondContact O-CB 3.4Å; F79-S82 PolarHBondContact O-N 3.28Å; N80-S82 PolarHBondContact O-N 2.9Å; S82-F84 WeakPolarHBondContact O-CE2 3.32Å; S82-G173 CarbonylContact O-C 3.6Å; S82-G173 WeakPolarHBondContact O-CA 3.36Å; S82-V174 PolarHBondContact O-N 3.48Å; S82-K468 PolarHBondContact OG-NZ 2.98Å
83	V	94.9	Very high	91.1	Very high	5 Å²	5	44 Å²	44	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.4	173.5	-179.6	0	0	0	0	109.1	V68 K69 L72 F79 N80 V174 I176	V68-V83 HydrophobicContact CG1-CG1 4.5Å; K69-V83 WeakPolarHBondContact CE-O 3.3Å; K69-V83 HydrophobicContact CG-CB 3.82Å; K69-V83 HydrophobicContact CG-CG1 3.6Å; L72-V83 HydrophobicContact CB-CG2 4.42Å; L72-V83 HydrophobicContact CD1-CG2 3.75Å; F79-V83 HydrophobicContact CD1-CG2 3.93Å; F79-V83 HydrophobicContact CE1-CG2 4.12Å; F79-V83 PolarHBondContact O-N 3.15Å; N80-V83 PolarHBondContact O-N 3.07Å; V83-V174 HydrophobicContact CG1-CG1 4.48Å; V83-V174 HydrophobicContact CG2-CB 4.25Å; V83-I176 HydrophobicContact CG1-CG2 4.43Å
84	F	94.7	Very high	90.6	Very high	27 Å²	27	45 Å²	45	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.9	-176	-42.9	-73.6	0	0	0	110.1	D81 S82 V174 W175 I176 F244 L467 K468	D81-F84 VanDerWaalsContact O-CE1 3.27Å; D81-F84 WeakPolarHBondContact O-CE1 3.06Å; S82-F84 WeakPolarHBondContact O-CE2 3.32Å; F84-V174 PolarHBondContact N-O 3.49Å; F84-W175 HydrophobicContact CB-CD2 3.92Å; F84-W175 HydrophobicContact CB-CE3 3.39Å; F84-W175 HydrophobicContact CB-CH2 3.54Å; F84-W175 HydrophobicContact CB-CZ2 4.05Å; F84-W175 HydrophobicContact CB-CZ3 3.18Å; F84-W175 HydrophobicContact CD2-CD2 4.46Å; F84-W175 HydrophobicContact CD2-CZ2 4.25Å; F84-W175 HydrophobicContact CG-CE3 4.48Å; F84-W175 HydrophobicContact CG-CH2 4.13Å; F84-W175 HydrophobicContact CG-CZ2 4.29Å; F84-W175 HydrophobicContact CG-CZ3 4.23Å; F84-W175 CarbonylContact O-C 3.54Å; F84-W175 VanDerWaalsContact O-CA 3.31Å; F84-W175 WeakPolarHBondContact O-CA 3.34Å; F84-I176 WeakPolarHBondContact O-CG2 3.39Å; F84-I176 PolarHBondContact O-N 3.47Å; F84-F244 HydrophobicContact CD2-CE1 4.24Å; F84-F244 HydrophobicContact CD2-CZ 4.34Å; F84-F244 HydrophobicContact CE2-CE1 4.26Å; F84-F244 AromaticContact CE2-CZ 4Å; F84-F244 HydrophobicContact CE2-CZ 4Å; F84-L467 HydrophobicContact CB-CD1 4.42Å; F84-L467 HydrophobicContact CD1-CD1 3.89Å; F84-L467 HydrophobicContact CE1-CD1 4.43Å; F84-L467 HydrophobicContact CG-CD1 4.19Å; F84-K468 HydrophobicContact CZ-CG 4.35Å
85	G	93.8	Very high	90.2	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-175.1	177.3	0	0	0	0	0	112.9	Q65 I176	Q65-G85 VanDerWaalsContact OE1-C 3.31Å; Q65-G85 VanDerWaalsContact OE1-CA 3.28Å; G85-I176 WeakPolarHBondContact CA-O 3.33Å
86	E	90.1	Very high	89.9	Confident	37 Å²	37	43.6 Å²	43.6	17%	0.173	27%	0.273	C	S	.	.	S	Bend	trans	-68.4	-40.4	-176	-175.8	165.9	165.3	0	0	113.2	K43 W409	K43-E86 IonicContact NZ-OE1 2.92Å; K43-E86 PolarHBondContact NZ-OE1 3.35Å; E86-W409 HydrophobicContact CB-CD2 4.2Å; E86-W409 HydrophobicContact CB-CG 4.37Å; E86-W409 HydrophobicContact CB-CZ2 4.08Å; E86-W409 HydrophobicContact CG-CZ2 3.91Å; E86-W409 PolarHBondContact OE2-NE1 3.41Å
87	E	91.7	Very high	89.6	Confident	11 Å²	11	49.5 Å²	49.5	5%	0.051	30%	0.299	C	S	.	.			trans	-93	152.9	-164.3	-66.4	-54.3	147.6	0	0	113.5	K43 K57 D61 Q65 P178	K43-E87 WeakPolarHBondContact CE-OE1 3.4Å; K43-E87 IonicContact NZ-OE1 2.81Å; K43-E87 PolarHBondContact NZ-OE1 3.47Å; K43-E87 IonicContact NZ-OE2 3.84Å; K57-E87 WeakPolarHBondContact CD-OE2 3.44Å; D61-E87 HydrophobicContact CB-CG 3.6Å; Q65-E87 PolarHBondContact NE2-O 2.88Å; Q65-E87 VanDerWaalsContact OE1-N 3.09Å; E87-P178 HydrophobicContact CG-CG 4.18Å
88	N	90.5	Very high	89.7	Confident	39 Å²	39	46.7 Å²	46.7	21%	0.209	28%	0.28	C	S	.	.			trans	-79.6	177.4	159.1	76.5	11.1	0	0	0	110.6	E47 K57 R90	E47-N88 PolarHBondContact OE1-ND2 2.92Å; E47-N88 PolarHBondContact OE2-ND2 3.02Å; K57-N88 PolarHBondContact NZ-OD1 2.93Å; N88-R90 PolarHBondContact OD1-N 2.81Å; N88-R90 PolarHBondContact OD1-O 2.91Å; N88-R90 VanDerWaalsContact OD1-O 3.1Å
89	N	92.5	Very high	90.1	Very high	48 Å²	48	44.7 Å²	44.7	26%	0.257	26%	0.258	S	S	.	.	S	Bend	trans	-100.1	23.5	178.4	68.7	-13.9	0	0	0	113.3	E66 T100 I101	E66-N89 HydrophobicContact CG-CB 3.98Å; N89-T100 WeakPolarHBondContact ND2-CG2 3.46Å; N89-T100 CarbonylContact O-C 3.39Å; N89-T100 WeakPolarHBondContact O-CA 3.27Å; N89-I101 WeakPolarHBondContact CB-O 3.32Å; N89-I101 PolarHBondContact O-N 3.49Å
90	R	93.1	Very high	90.4	Very high	119 Å²	119	47.9 Å²	47.9	45%	0.449	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.3	-175.3	-60.5	-175.3	76.2	-134.2	2.8	111.2	K57 N88 T98 V99	K57-R90 PolarHBondContact NZ-O 3.47Å; K57-R90 VanDerWaalsContact NZ-O 3.15Å; N88-R90 PolarHBondContact OD1-N 2.81Å; N88-R90 PolarHBondContact OD1-O 2.91Å; N88-R90 VanDerWaalsContact OD1-O 3.1Å; R90-T98 HydrophobicContact CB-CG2 3.92Å; R90-V99 WeakPolarHBondContact CA-O 3.14Å
91	F	92.9	Very high	90.9	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	142.9	178.7	-155.5	-98.7	0	0	0	110.8	L39 Q41 L59 V62 T98 V99 I101 V116	L39-F91 WeakPolarHBondContact O-CZ 3.42Å; Q41-F91 HydrophobicContact CB-CE2 4.35Å; Q41-F91 HydrophobicContact CB-CZ 4.48Å; Q41-F91 VanDerWaalsContact CD-CZ 3.44Å; Q41-F91 HydrophobicContact CG-CE1 4.27Å; Q41-F91 HydrophobicContact CG-CE2 3.98Å; Q41-F91 HydrophobicContact CG-CZ 3.68Å; L59-F91 HydrophobicContact CB-CE1 4.12Å; L59-F91 HydrophobicContact CB-CE2 4.37Å; L59-F91 HydrophobicContact CB-CZ 3.99Å; L59-F91 HydrophobicContact CD1-CD1 4.35Å; L59-F91 HydrophobicContact CD1-CG 4.45Å; V62-F91 HydrophobicContact CG2-CD2 3.99Å; F91-T98 CarbonylContact O-C 3.53Å; F91-T98 WeakPolarHBondContact O-CA 3.19Å; F91-V99 PolarHBondContact N-O 3.45Å; F91-V99 VanDerWaalsContact O-CG2 3.31Å; F91-V99 WeakPolarHBondContact O-CG2 3.15Å; F91-V99 PolarHBondContact O-N 3.35Å; F91-I101 HydrophobicContact CB-CD1 4.26Å; F91-V116 HydrophobicContact CD1-CG1 3.49Å; F91-V116 VanDerWaalsContact CD1-CG1 3.49Å; F91-V116 HydrophobicContact CD1-CG2 4.31Å; F91-V116 HydrophobicContact CE1-CG1 3.67Å
92	S	91.6	Very high	91.2	Very high	41 Å²	41	46.3 Å²	46.3	29%	0.287	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.3	179.8	-58.4	0	0	0	0	111.4	Q41	Q41-S92 PolarHBondContact NE2-O 2.87Å
93	G	86.8	Confident	91.3	Very high	10 Å²	10	46.4 Å²	46.4	10%	0.103	26%	0.264	C	S	.	.			trans	-84	172.7	174.6	0	0	0	0	0	113.4	S95 G96 K97	G93-S95 PolarHBondContact O-N 3.43Å; G93-G96 PolarHBondContact O-N 3.44Å; G93-K97 PolarHBondContact N-O 2.9Å
94	S	84.3	Confident	91.3	Very high	73 Å²	73	49.5 Å²	49.5	51%	0.51	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.8	179	64.1	0	0	0	0	113	G96 D115	S94-G96 PolarHBondContact O-N 3.46Å; S94-D115 WeakPolarHBondContact CB-O 3.33Å; S94-D115 PolarHBondContact N-O 3.42Å; S94-D115 PolarHBondContact OG-O 3.26Å; S94-D115 PolarHBondContact OG-OD1 2.99Å
95	S	87	Confident	91.3	Very high	81 Å²	81	50.2 Å²	50.2	57%	0.566	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.3	171.5	72.1	0	0	0	0	114.8	G93 K97 D115	G93-S95 PolarHBondContact O-N 3.43Å; S95-K97 PolarHBondContact O-N 2.58Å; S95-K97 VanDerWaalsContact OG-CB 3.26Å; S95-K97 WeakPolarHBondContact OG-CB 3.25Å; S95-K97 PolarHBondContact OG-N 2.92Å; S95-D115 VanDerWaalsContact CB-OD1 3.23Å; S95-D115 WeakPolarHBondContact CB-OD1 3.42Å; S95-D115 PolarHBondContact N-OD1 2.96Å; S95-D115 VanDerWaalsContact OG-CG 3.28Å; S95-D115 PolarHBondContact OG-OD1 3.02Å; S95-D115 PolarHBondContact OG-OD2 3.08Å
96	G	86.4	Confident	91.5	Very high	58 Å²	58	54.1 Å²	54.1	60%	0.598	31%	0.309	S	S	*	.	S	Bend	trans	81.4	-3.5	-170	0	0	0	0	0	114	G93 S94	G93-G96 PolarHBondContact O-N 3.44Å; S94-G96 PolarHBondContact O-N 3.46Å
97	K	88.7	Confident	91.8	Very high	141 Å²	141	57.7 Å²	57.7	61%	0.613	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-72	127.4	173.8	-177.9	-179.1	172	-171.9	0	110.1	G93 S95	G93-K97 PolarHBondContact N-O 2.9Å; S95-K97 PolarHBondContact O-N 2.58Å; S95-K97 VanDerWaalsContact OG-CB 3.26Å; S95-K97 WeakPolarHBondContact OG-CB 3.25Å; S95-K97 PolarHBondContact OG-N 2.92Å
98	T	91.3	Very high	92	Very high	53 Å²	53	60.4 Å²	60.4	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.2	169.8	-47.8	0	0	0	0	110.6	R90 F91	R90-T98 HydrophobicContact CB-CG2 3.92Å; F91-T98 CarbonylContact O-C 3.53Å; F91-T98 WeakPolarHBondContact O-CA 3.19Å
99	V	91.9	Very high	92.3	Very high	10 Å²	10	58.5 Å²	58.5	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	148.5	170.6	-61.5	0	0	0	0	110.2	R90 F91 I101 L112 V116	R90-V99 WeakPolarHBondContact CA-O 3.14Å; F91-V99 PolarHBondContact N-O 3.45Å; F91-V99 VanDerWaalsContact O-CG2 3.31Å; F91-V99 WeakPolarHBondContact O-CG2 3.15Å; F91-V99 PolarHBondContact O-N 3.35Å; V99-I101 HydrophobicContact CG2-CG1 4.31Å; V99-L112 HydrophobicContact CB-CD2 4.36Å; V99-L112 HydrophobicContact CG1-CD2 4.45Å; V99-V116 HydrophobicContact CG2-CG2 3.51Å
100	T	94.5	Very high	92.6	Very high	69 Å²	69	56.4 Å²	56.4	42%	0.423	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115	169.7	-59.3	0	0	0	0	107.6	N89 Q102	N89-T100 WeakPolarHBondContact ND2-CG2 3.46Å; N89-T100 CarbonylContact O-C 3.39Å; N89-T100 WeakPolarHBondContact O-CA 3.27Å; T100-Q102 PolarHBondContact O-N 3.33Å
101	I	94	Very high	92.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.327	C	S	.	.			trans	-84.6	113	-179.5	-60.4	-178.6	0	0	0	107.8	L59 V62 L63 E66 N89 F91 V99 L103 L109 L113	L59-I101 HydrophobicContact CD1-CD1 3.68Å; V62-I101 HydrophobicContact CG1-CB 4.29Å; V62-I101 HydrophobicContact CG1-CD1 3.88Å; V62-I101 HydrophobicContact CG1-CG1 4.41Å; L63-I101 HydrophobicContact CD1-CG2 4.04Å; E66-I101 HydrophobicContact CB-CG2 4.43Å; E66-I101 HydrophobicContact CG-CG2 4.5Å; N89-I101 WeakPolarHBondContact CB-O 3.32Å; N89-I101 PolarHBondContact O-N 3.49Å; F91-I101 HydrophobicContact CB-CD1 4.26Å; V99-I101 HydrophobicContact CG2-CG1 4.31Å; I101-L103 HydrophobicContact CG2-CD1 4.49Å; I101-L109 HydrophobicContact CG2-CD1 4.09Å; I101-L113 HydrophobicContact CD1-CD2 4.38Å
102	Q	92.4	Very high	92.7	Very high	127 Å²	127	58.1 Å²	58.1	59%	0.593	34%	0.337	S	S	*	.			trans	-142.2	120.8	172	-172.7	176.7	-2	0	0	108.4	T100 S104	T100-Q102 PolarHBondContact O-N 3.33Å; Q102-S104 PolarHBondContact O-N 3.06Å
103	L	94.9	Very high	92.9	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.084	32%	0.323	C	S	.	.			trans	-68.6	124.5	-176	-82.2	73.4	0	0	0	110.4	E66 V67 Y70 I101 L109 C131 F132	E66-L103 HydrophobicContact CB-CD1 3.78Å; V67-L103 HydrophobicContact CB-CD2 4.41Å; V67-L103 HydrophobicContact CG2-CD1 4.27Å; V67-L103 HydrophobicContact CG2-CD2 3.84Å; Y70-L103 HydrophobicContact CD1-CB 4.46Å; Y70-L103 HydrophobicContact CD1-CD2 3.9Å; Y70-L103 HydrophobicContact CD2-CB 3.53Å; Y70-L103 HydrophobicContact CD2-CD2 4.44Å; Y70-L103 HydrophobicContact CE2-CB 4.19Å; Y70-L103 HydrophobicContact CG-CB 3.7Å; Y70-L103 HydrophobicContact CG-CD2 3.79Å; Y70-L103 HydrophobicContact CG-CG 4.4Å; I101-L103 HydrophobicContact CG2-CD1 4.49Å; L103-L109 HydrophobicContact CG-CD2 4.36Å; L103-C131 HydrophobicContact CD2-CB 4.46Å; L103-F132 HydrophobicContact CB-CZ 3.95Å; L103-F132 HydrophobicContact CD2-CE2 4.22Å; L103-F132 HydrophobicContact CD2-CZ 4.23Å; L103-F132 HydrophobicContact CG-CE2 4.14Å; L103-F132 HydrophobicContact CG-CZ 4.05Å
104	S	93.8	Very high	93.2	Very high	70 Å²	70	57.1 Å²	57.1	49%	0.49	33%	0.327	S	S	.	.	S	Bend	trans	-138.4	-49.1	178.7	49	0	0	0	0	111.9	Q102 N108	Q102-S104 PolarHBondContact O-N 3.06Å; S104-N108 PolarHBondContact OG-ND2 3.45Å
105	S	96.2	Very high	93.5	Very high	42 Å²	42	55 Å²	55	29%	0.294	31%	0.31	S	S	.	.			trans	-146.7	163.6	167.2	77.8	0	0	0	0	110.9	E107 N108 L109 F132	S105-E107 VanDerWaalsContact C-N 3.33Å; S105-E107 PolarHBondContact OG-OE2 3.26Å; S105-N108 PolarHBondContact O-N 3.29Å; S105-N108 WeakPolarHBondContact OG-CB 3.47Å; S105-N108 PolarHBondContact OG-N 3.22Å; S105-L109 PolarHBondContact O-N 3.46Å; S105-F132 VanDerWaalsContact C-CE2 3.47Å; S105-F132 WeakPolarHBondContact O-CE2 3.32Å; S105-F132 VanDerWaalsContact O-CZ 3.31Å; S105-F132 WeakPolarHBondContact O-CZ 3.41Å
106	K	96.8	Very high	93.7	Very high	90 Å²	90	51.4 Å²	51.4	39%	0.391	29%	0.285	S	S	.	.	H	α-helix	trans	-61.4	-43.3	176.7	-174.3	-176.2	66.1	174.5	0	111.3	L109 S110 S128 F132	K106-L109 PolarHBondContact O-N 2.92Å; K106-S110 WeakPolarHBondContact O-CB 3.39Å; K106-S110 PolarHBondContact O-N 3.05Å; K106-S128 WeakPolarHBondContact CA-OG 3.22Å; K106-S128 WeakPolarHBondContact CG-OG 3.42Å; K106-S128 PolarHBondContact O-OG 3.03Å; K106-F132 HydrophobicContact CB-CB 4.4Å; K106-F132 HydrophobicContact CB-CD2 4.06Å; K106-F132 HydrophobicContact CB-CG 4.18Å
107	E	96.9	Very high	94	Very high	113 Å²	113	48.7 Å²	48.7	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-45.5	-178.2	-60.8	68.9	-147.3	0	0	110.7	S105 S110 D111	S105-E107 VanDerWaalsContact C-N 3.33Å; S105-E107 PolarHBondContact OG-OE2 3.26Å; E107-S110 PolarHBondContact O-N 2.88Å; E107-D111 PolarHBondContact O-N 3.29Å
108	N	96.5	Very high	93.9	Very high	67 Å²	67	44.1 Å²	44.1	36%	0.358	25%	0.249	S	C	.	.	H	α-helix	trans	-65.1	-43	178.6	-174.4	10.6	0	0	0	111.9	S104 S105 S110 D111 L112	S104-N108 PolarHBondContact OG-ND2 3.45Å; S105-N108 PolarHBondContact O-N 3.29Å; S105-N108 WeakPolarHBondContact OG-CB 3.47Å; S105-N108 PolarHBondContact OG-N 3.22Å; N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 2.95Å; N108-D111 PolarHBondContact O-N 3Å; N108-L112 WeakPolarHBondContact O-CG 3.33Å; N108-L112 PolarHBondContact O-N 2.88Å
109	L	97	Very high	93.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-42.4	177	178.6	63	0	0	0	111.1	L63 I101 L103 S105 K106 D111 L112 L113 C131 F132	L63-L109 HydrophobicContact CD1-CD1 4.12Å; L63-L109 HydrophobicContact CD1-CD2 4.22Å; I101-L109 HydrophobicContact CG2-CD1 4.09Å; L103-L109 HydrophobicContact CG-CD2 4.36Å; S105-L109 PolarHBondContact O-N 3.46Å; K106-L109 PolarHBondContact O-N 2.92Å; L109-D111 PolarHBondContact O-N 3.27Å; L109-L112 PolarHBondContact O-N 3.21Å; L109-L113 HydrophobicContact CD1-CD1 4Å; L109-L113 HydrophobicContact CD1-CG 4Å; L109-L113 HydrophobicContact CD2-CD1 4.5Å; L109-L113 HydrophobicContact CG-CD1 3.9Å; L109-L113 HydrophobicContact CG-CG 4.3Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.19Å; L109-L113 PolarHBondContact O-N 3.42Å; L109-C131 HydrophobicContact CD2-CB 3.62Å; L109-F132 HydrophobicContact CB-CE2 3.88Å; L109-F132 HydrophobicContact CD2-CD2 4.18Å; L109-F132 HydrophobicContact CD2-CE2 3.72Å; L109-F132 HydrophobicContact CG-CE2 4.46Å
110	S	97	Very high	93.8	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-56.6	-51.5	174.1	-170.3	0	0	0	0	111.1	K106 E107 N108 L112 L113 V114 N125	K106-S110 WeakPolarHBondContact O-CB 3.39Å; K106-S110 PolarHBondContact O-N 3.05Å; E107-S110 PolarHBondContact O-N 2.88Å; N108-S110 VanDerWaalsContact C-N 3.34Å; N108-S110 PolarHBondContact O-N 2.95Å; S110-L112 VanDerWaalsContact C-N 3.3Å; S110-L112 PolarHBondContact O-N 3.33Å; S110-L113 PolarHBondContact O-N 3.39Å; S110-V114 WeakPolarHBondContact O-CG2 3.3Å; S110-V114 PolarHBondContact O-N 3.34Å; S110-N125 WeakPolarHBondContact CB-OD1 3.33Å; S110-N125 PolarHBondContact OG-N 3.26Å; S110-N125 PolarHBondContact OG-OD1 3.3Å
111	D	94.9	Very high	93.8	Very high	115 Å²	115	49.5 Å²	49.5	62%	0.615	27%	0.272	S	S	*	.	H	α-helix	trans	-57.1	-40.3	179	-72	-21.1	0	0	0	112.9	E107 N108 L109 L113	E107-D111 PolarHBondContact O-N 3.29Å; N108-D111 PolarHBondContact O-N 3Å; L109-D111 PolarHBondContact O-N 3.27Å; D111-L113 VanDerWaalsContact C-N 3.34Å
112	L	94.4	Very high	93.9	Very high	41 Å²	41	55.7 Å²	55.7	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-37.1	175.3	-71.3	171.9	0	0	0	112.2	V99 N108 L109 S110	V99-L112 HydrophobicContact CB-CD2 4.36Å; V99-L112 HydrophobicContact CG1-CD2 4.45Å; N108-L112 WeakPolarHBondContact O-CG 3.33Å; N108-L112 PolarHBondContact O-N 2.88Å; L109-L112 PolarHBondContact O-N 3.21Å; S110-L112 VanDerWaalsContact C-N 3.3Å; S110-L112 PolarHBondContact O-N 3.33Å
113	L	95.4	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-79.7	-24.1	-176.6	-70.6	179.3	0	0	0	113.4	L59 I101 L109 S110 D111 D115 V116 L117 A124 L127	L59-L113 HydrophobicContact CD1-CD2 4Å; L59-L113 HydrophobicContact CD2-CD2 4.23Å; I101-L113 HydrophobicContact CD1-CD2 4.38Å; L109-L113 HydrophobicContact CD1-CD1 4Å; L109-L113 HydrophobicContact CD1-CG 4Å; L109-L113 HydrophobicContact CD2-CD1 4.5Å; L109-L113 HydrophobicContact CG-CD1 3.9Å; L109-L113 HydrophobicContact CG-CG 4.3Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 VanDerWaalsContact O-CG 3.24Å; L109-L113 WeakPolarHBondContact O-CG 3.19Å; L109-L113 PolarHBondContact O-N 3.42Å; S110-L113 PolarHBondContact O-N 3.39Å; D111-L113 VanDerWaalsContact C-N 3.34Å; L113-D115 VanDerWaalsContact C-N 3.35Å; L113-D115 PolarHBondContact O-N 2.94Å; L113-V116 PolarHBondContact O-N 2.96Å; L113-L117 HydrophobicContact CB-CD1 3.93Å; L113-L117 HydrophobicContact CB-CG 4.41Å; L113-L117 WeakPolarHBondContact O-CB 3.29Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.26Å; L113-L117 PolarHBondContact O-N 2.69Å; L113-A124 HydrophobicContact CB-CB 4.01Å; L113-L127 HydrophobicContact CD1-CB 4.19Å
114	V	94	Very high	94.1	Very high	30 Å²	30	49.2 Å²	49.2	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-52.2	-51	-179.7	173.3	0	0	0	0	111.6	S110 V116 L117 N119 L121 A124	S110-V114 WeakPolarHBondContact O-CG2 3.3Å; S110-V114 PolarHBondContact O-N 3.34Å; V114-V116 VanDerWaalsContact C-N 3.35Å; V114-V116 PolarHBondContact O-N 3.19Å; V114-L117 PolarHBondContact O-N 3.19Å; V114-N119 HydrophobicContact CG1-CB 4.39Å; V114-N119 WeakPolarHBondContact O-CA 3.41Å; V114-N119 PolarHBondContact O-N 3.5Å; V114-L121 HydrophobicContact CG2-CD1 3.64Å; V114-A124 HydrophobicContact CG2-CB 3.94Å
115	D	89	Confident	94.2	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-67.6	-35.6	179.5	-178.9	40.6	0	0	0	112.2	S94 S95 L113 L117 G118	S94-D115 WeakPolarHBondContact CB-O 3.33Å; S94-D115 PolarHBondContact N-O 3.42Å; S94-D115 PolarHBondContact OG-O 3.26Å; S94-D115 PolarHBondContact OG-OD1 2.99Å; S95-D115 VanDerWaalsContact CB-OD1 3.23Å; S95-D115 WeakPolarHBondContact CB-OD1 3.42Å; S95-D115 PolarHBondContact N-OD1 2.96Å; S95-D115 VanDerWaalsContact OG-CG 3.28Å; S95-D115 PolarHBondContact OG-OD1 3.02Å; S95-D115 PolarHBondContact OG-OD2 3.08Å; L113-D115 VanDerWaalsContact C-N 3.35Å; L113-D115 PolarHBondContact O-N 2.94Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 3.2Å; D115-G118 PolarHBondContact O-N 3.23Å
116	V	91.8	Very high	94.3	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-38	177.5	177.3	0	0	0	0	112	L39 L59 F91 V99 L113 V114 G118	L39-V116 HydrophobicContact CD2-CG1 4.21Å; L39-V116 WeakPolarHBondContact CD2-O 3.46Å; L59-V116 HydrophobicContact CD1-CG1 4.1Å; L59-V116 HydrophobicContact CD2-CG1 3.92Å; L59-V116 HydrophobicContact CG-CG1 4.47Å; F91-V116 HydrophobicContact CD1-CG1 3.49Å; F91-V116 VanDerWaalsContact CD1-CG1 3.49Å; F91-V116 HydrophobicContact CD1-CG2 4.31Å; F91-V116 HydrophobicContact CE1-CG1 3.67Å; V99-V116 HydrophobicContact CG2-CG2 3.51Å; L113-V116 PolarHBondContact O-N 2.96Å; V114-V116 VanDerWaalsContact C-N 3.35Å; V114-V116 PolarHBondContact O-N 3.19Å; V116-G118 VanDerWaalsContact C-N 3.27Å; V116-G118 PolarHBondContact O-N 2.93Å
117	L	92.7	Very high	94.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	22.2	-176.3	-60	172.9	0	0	0	112.6	I35 L39 L59 L113 V114 D115 N119 D120 F123 A124 L127	I35-L117 HydrophobicContact CD1-CB 4.22Å; I35-L117 HydrophobicContact CD1-CD2 4.24Å; L39-L117 HydrophobicContact CD1-CD2 3.87Å; L39-L117 HydrophobicContact CD2-CD2 3.82Å; L59-L117 HydrophobicContact CD2-CD2 3.61Å; L59-L117 HydrophobicContact CD2-CG 4.48Å; L113-L117 HydrophobicContact CB-CD1 3.93Å; L113-L117 HydrophobicContact CB-CG 4.41Å; L113-L117 WeakPolarHBondContact O-CB 3.29Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.26Å; L113-L117 PolarHBondContact O-N 2.69Å; V114-L117 PolarHBondContact O-N 3.19Å; D115-L117 VanDerWaalsContact C-N 3.32Å; D115-L117 PolarHBondContact O-N 3.2Å; L117-N119 VanDerWaalsContact C-N 3.34Å; L117-N119 PolarHBondContact O-N 3.26Å; L117-D120 HydrophobicContact CB-CB 4.35Å; L117-D120 VanDerWaalsContact O-CB 3.29Å; L117-D120 WeakPolarHBondContact O-CB 3.15Å; L117-D120 PolarHBondContact O-N 2.87Å; L117-F123 HydrophobicContact CB-CD1 4.49Å; L117-F123 HydrophobicContact CD1-CB 4.49Å; L117-F123 HydrophobicContact CD1-CD1 3.87Å; L117-F123 HydrophobicContact CD1-CG 4.39Å; L117-F123 HydrophobicContact CD2-CD1 3.86Å; L117-F123 HydrophobicContact CD2-CE1 3.94Å; L117-F123 HydrophobicContact CG-CD1 4.29Å; L117-A124 VanDerWaalsContact CD1-CA 3.49Å; L117-A124 HydrophobicContact CD1-CB 3.87Å; L117-L127 HydrophobicContact CD1-CD1 3.89Å; L117-L127 HydrophobicContact CD2-CD1 4.2Å
118	G	86.5	Confident	94.3	Very high	44 Å²	44	42.5 Å²	42.5	45%	0.454	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	31.4	176.4	0	0	0	0	0	114	D115 V116 D120	D115-G118 PolarHBondContact O-N 3.23Å; V116-G118 VanDerWaalsContact C-N 3.27Å; V116-G118 PolarHBondContact O-N 2.93Å; G118-D120 VanDerWaalsContact C-N 3.3Å
119	N	88.9	Confident	94.4	Very high	111 Å²	111	44.5 Å²	44.5	59%	0.594	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	21.9	-174.3	-51.5	-69.9	0	0	0	114.9	V114 L117 L121	V114-N119 HydrophobicContact CG1-CB 4.39Å; V114-N119 WeakPolarHBondContact O-CA 3.41Å; V114-N119 PolarHBondContact O-N 3.5Å; L117-N119 VanDerWaalsContact C-N 3.34Å; L117-N119 PolarHBondContact O-N 3.26Å; N119-L121 PolarHBondContact O-N 2.97Å; N119-L121 VanDerWaalsContact O-N 3.11Å
120	D	92.3	Very high	94.4	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.251	25%	0.246	S	C	.	.			trans	-78.5	86.8	170.9	-169.3	-18	0	0	0	110.6	Q32 L117 G118 D122 F123 A124	Q32-D120 PolarHBondContact NE2-OD2 3.28Å; Q32-D120 VanDerWaalsContact NE2-OD2 3.07Å; L117-D120 HydrophobicContact CB-CB 4.35Å; L117-D120 VanDerWaalsContact O-CB 3.29Å; L117-D120 WeakPolarHBondContact O-CB 3.15Å; L117-D120 PolarHBondContact O-N 2.87Å; G118-D120 VanDerWaalsContact C-N 3.3Å; D120-D122 VanDerWaalsContact C-N 3.34Å; D120-D122 PolarHBondContact O-N 3.03Å; D120-D122 PolarHBondContact OD1-N 2.73Å; D120-F123 HydrophobicContact CB-CB 4.08Å; D120-F123 PolarHBondContact O-N 2.81Å; D120-F123 WeakPolarHBondContact OD1-CB 3.31Å; D120-F123 PolarHBondContact OD1-N 3.09Å; D120-F123 WeakPolarHBondContact OD2-CB 3.41Å; D120-A124 WeakPolarHBondContact O-CB 3.36Å; D120-A124 PolarHBondContact O-N 2.68Å
121	L	94.5	Very high	94.5	Very high	87 Å²	87	45.2 Å²	45.2	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-37.3	-179	178.2	62.1	0	0	0	112.7	V114 N119 A124 N125	V114-L121 HydrophobicContact CG2-CD1 3.64Å; N119-L121 PolarHBondContact O-N 2.97Å; N119-L121 VanDerWaalsContact O-N 3.11Å; L121-A124 PolarHBondContact O-N 2.77Å; L121-N125 WeakPolarHBondContact O-CB 3.35Å; L121-N125 VanDerWaalsContact O-CG 3.3Å; L121-N125 PolarHBondContact O-N 2.52Å; L121-N125 PolarHBondContact O-ND2 3.24Å; L121-N125 VanDerWaalsContact O-ND2 3.1Å
122	D	95.3	Very high	94.6	Very high	130 Å²	130	41.9 Å²	41.9	70%	0.695	23%	0.226	S	C	*	.	H	α-helix	trans	-66.7	-42.8	-179.1	-69.9	-27.8	0	0	0	110.2	D120 N125 Q126	D120-D122 VanDerWaalsContact C-N 3.34Å; D120-D122 PolarHBondContact O-N 3.03Å; D120-D122 PolarHBondContact OD1-N 2.73Å; D122-N125 PolarHBondContact O-N 2.72Å; D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 PolarHBondContact O-N 3.44Å
123	F	95.1	Very high	94.7	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-69.9	-36.4	176.4	-167.7	-137	0	0	0	112.9	T28 Q32 I35 L117 D120 Q126 L127	T28-F123 HydrophobicContact CG2-CE2 3.8Å; T28-F123 HydrophobicContact CG2-CZ 4.37Å; Q32-F123 HydrophobicContact CB-CD1 4.34Å; Q32-F123 HydrophobicContact CB-CE1 3.64Å; Q32-F123 HydrophobicContact CB-CE2 4.39Å; Q32-F123 HydrophobicContact CB-CZ 3.67Å; Q32-F123 HydrophobicContact CG-CD1 3.98Å; Q32-F123 HydrophobicContact CG-CE1 3.78Å; Q32-F123 HydrophobicContact CG-CZ 4.18Å; I35-F123 HydrophobicContact CD1-CD1 4.12Å; I35-F123 HydrophobicContact CD1-CE1 4.36Å; L117-F123 HydrophobicContact CB-CD1 4.49Å; L117-F123 HydrophobicContact CD1-CB 4.49Å; L117-F123 HydrophobicContact CD1-CD1 3.87Å; L117-F123 HydrophobicContact CD1-CG 4.39Å; L117-F123 HydrophobicContact CD2-CD1 3.86Å; L117-F123 HydrophobicContact CD2-CE1 3.94Å; L117-F123 HydrophobicContact CG-CD1 4.29Å; D120-F123 HydrophobicContact CB-CB 4.08Å; D120-F123 PolarHBondContact O-N 2.81Å; D120-F123 WeakPolarHBondContact OD1-CB 3.31Å; D120-F123 PolarHBondContact OD1-N 3.09Å; D120-F123 WeakPolarHBondContact OD2-CB 3.41Å; F123-Q126 PolarHBondContact O-N 2.82Å; F123-L127 HydrophobicContact CD1-CD1 4.19Å; F123-L127 HydrophobicContact CD2-CG 4.35Å; F123-L127 HydrophobicContact CE1-CD1 3.79Å; F123-L127 HydrophobicContact CE1-CG 4.48Å; F123-L127 HydrophobicContact CE2-CD1 4.2Å; F123-L127 HydrophobicContact CE2-CD2 4.4Å; F123-L127 HydrophobicContact CE2-CG 4Å; F123-L127 HydrophobicContact CZ-CD1 3.79Å; F123-L127 HydrophobicContact CZ-CD2 4.38Å; F123-L127 HydrophobicContact CZ-CG 4.07Å; F123-L127 PolarHBondContact O-N 2.92Å
124	A	96.1	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-46.3	172.2	0	0	0	0	0	111.8	L113 V114 L117 D120 L121 S128	L113-A124 HydrophobicContact CB-CB 4.01Å; V114-A124 HydrophobicContact CG2-CB 3.94Å; L117-A124 VanDerWaalsContact CD1-CA 3.49Å; L117-A124 HydrophobicContact CD1-CB 3.87Å; D120-A124 WeakPolarHBondContact O-CB 3.36Å; D120-A124 PolarHBondContact O-N 2.68Å; L121-A124 PolarHBondContact O-N 2.77Å; A124-S128 VanDerWaalsContact O-CB 3.32Å; A124-S128 WeakPolarHBondContact O-CB 3.46Å; A124-S128 PolarHBondContact O-N 3.48Å
125	N	97.5	Very high	94.8	Very high	75 Å²	75	46.3 Å²	46.3	40%	0.401	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-44.1	176.4	-75.4	-37.3	0	0	0	111.8	S110 L121 D122 S128 E129	S110-N125 WeakPolarHBondContact CB-OD1 3.33Å; S110-N125 PolarHBondContact OG-N 3.26Å; S110-N125 PolarHBondContact OG-OD1 3.3Å; L121-N125 WeakPolarHBondContact O-CB 3.35Å; L121-N125 VanDerWaalsContact O-CG 3.3Å; L121-N125 PolarHBondContact O-N 2.52Å; L121-N125 PolarHBondContact O-ND2 3.24Å; L121-N125 VanDerWaalsContact O-ND2 3.1Å; D122-N125 PolarHBondContact O-N 2.72Å; N125-S128 PolarHBondContact O-N 2.95Å; N125-E129 WeakPolarHBondContact O-CB 3.23Å; N125-E129 PolarHBondContact O-N 2.97Å
126	Q	96.9	Very high	95	Very high	99 Å²	99	48.7 Å²	48.7	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-49.3	178.2	-175.5	-178	24.2	0	0	112	D122 F123 E129 I130	D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 PolarHBondContact O-N 3.44Å; F123-Q126 PolarHBondContact O-N 2.82Å; Q126-E129 PolarHBondContact O-N 3.3Å; Q126-I130 HydrophobicContact CG-CD1 4.38Å; Q126-I130 WeakPolarHBondContact O-CG1 3.48Å; Q126-I130 PolarHBondContact O-N 3.19Å; Q126-I130 VanDerWaalsContact O-N 3.11Å
127	L	96.7	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-44.8	178.3	-79.4	175.9	0	0	0	111.1	T28 I29 L113 L117 F123 E129 I130 C131	T28-L127 HydrophobicContact CG2-CD2 3.69Å; I29-L127 HydrophobicContact CD1-CD2 4.46Å; I29-L127 HydrophobicContact CG1-CD1 4Å; I29-L127 HydrophobicContact CG1-CD2 3.81Å; L113-L127 HydrophobicContact CD1-CB 4.19Å; L117-L127 HydrophobicContact CD1-CD1 3.89Å; L117-L127 HydrophobicContact CD2-CD1 4.2Å; F123-L127 HydrophobicContact CD1-CD1 4.19Å; F123-L127 HydrophobicContact CD2-CG 4.35Å; F123-L127 HydrophobicContact CE1-CD1 3.79Å; F123-L127 HydrophobicContact CE1-CG 4.48Å; F123-L127 HydrophobicContact CE2-CD1 4.2Å; F123-L127 HydrophobicContact CE2-CD2 4.4Å; F123-L127 HydrophobicContact CE2-CG 4Å; F123-L127 HydrophobicContact CZ-CD1 3.79Å; F123-L127 HydrophobicContact CZ-CD2 4.38Å; F123-L127 HydrophobicContact CZ-CG 4.07Å; F123-L127 PolarHBondContact O-N 2.92Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 2.89Å; L127-I130 PolarHBondContact O-N 2.87Å; L127-C131 PolarHBondContact O-N 2.86Å; L127-C131 PolarHBondContact O-SG 3.41Å
128	S	97.8	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-35.2	177.8	-173.2	0	0	0	0	112.5	K106 A124 N125 C131 F132	K106-S128 WeakPolarHBondContact CA-OG 3.22Å; K106-S128 WeakPolarHBondContact CG-OG 3.42Å; K106-S128 PolarHBondContact O-OG 3.03Å; A124-S128 VanDerWaalsContact O-CB 3.32Å; A124-S128 WeakPolarHBondContact O-CB 3.46Å; A124-S128 PolarHBondContact O-N 3.48Å; N125-S128 PolarHBondContact O-N 2.95Å; S128-C131 PolarHBondContact O-N 3.2Å; S128-F132 WeakPolarHBondContact O-CD2 3.46Å; S128-F132 PolarHBondContact O-N 3.12Å; S128-F132 VanDerWaalsContact O-N 3.16Å
129	E	98.1	Very high	95.5	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-46.7	174.8	-176.7	170.7	-170.8	0	0	111.1	N125 Q126 L127 C131 F132 Q133	N125-E129 WeakPolarHBondContact O-CB 3.23Å; N125-E129 PolarHBondContact O-N 2.97Å; Q126-E129 PolarHBondContact O-N 3.3Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 2.89Å; E129-C131 VanDerWaalsContact C-N 3.34Å; E129-C131 PolarHBondContact O-N 3.28Å; E129-F132 PolarHBondContact O-N 2.95Å; E129-Q133 WeakPolarHBondContact O-CG 3.45Å; E129-Q133 PolarHBondContact O-N 3.34Å
130	I	97.5	Very high	95.5	Very high	17 Å²	17	51.7 Å²	51.7	9%	0.087	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-44.9	175.4	-64.7	165.5	0	0	0	110.7	K21 V24 I25 T28 Q126 L127 F132 Q133 F138	K21-I130 WeakPolarHBondContact CE-O 3.47Å; V24-I130 HydrophobicContact CG1-CD1 4.41Å; V24-I130 HydrophobicContact CG1-CG2 3.89Å; I25-I130 HydrophobicContact CG1-CG2 3.75Å; T28-I130 HydrophobicContact CG2-CD1 3.9Å; Q126-I130 HydrophobicContact CG-CD1 4.38Å; Q126-I130 WeakPolarHBondContact O-CG1 3.48Å; Q126-I130 PolarHBondContact O-N 3.19Å; Q126-I130 VanDerWaalsContact O-N 3.11Å; L127-I130 PolarHBondContact O-N 2.87Å; I130-F132 VanDerWaalsContact C-N 3.26Å; I130-F132 PolarHBondContact O-N 3.02Å; I130-Q133 PolarHBondContact O-N 3.34Å; I130-F138 HydrophobicContact CG2-CZ 4.42Å
131	C	98.1	Very high	95.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-31.7	-179.6	-70.5	0	0	0	0	113.5	K21 V67 L103 L109 L127 S128 E129	K21-C131 WeakPolarHBondContact CE-O 3.43Å; K21-C131 PolarHBondContact NZ-O 3.48Å; V67-C131 HydrophobicContact CG2-CB 3.89Å; V67-C131 VanDerWaalsContact CG2-SG 3.6Å; L103-C131 HydrophobicContact CD2-CB 4.46Å; L109-C131 HydrophobicContact CD2-CB 3.62Å; L127-C131 PolarHBondContact O-N 2.86Å; L127-C131 PolarHBondContact O-SG 3.41Å; S128-C131 PolarHBondContact O-N 3.2Å; E129-C131 VanDerWaalsContact C-N 3.34Å; E129-C131 PolarHBondContact O-N 3.28Å
132	F	97.9	Very high	95	Very high	45 Å²	45	50.3 Å²	50.3	20%	0.197	26%	0.261	C	S	.	.	H	α-helix	trans	-101.7	2.7	180	-78.1	-91.8	0	0	0	113.9	Y70 L103 S105 K106 L109 S128 E129 I130	Y70-F132 HydrophobicContact CE1-CD1 4.3Å; Y70-F132 HydrophobicContact CE1-CE1 4.19Å; Y70-F132 HydrophobicContact CE2-CE1 4.32Å; Y70-F132 AromaticContact CZ-CE1 3.83Å; L103-F132 HydrophobicContact CB-CZ 3.95Å; L103-F132 HydrophobicContact CD2-CE2 4.22Å; L103-F132 HydrophobicContact CD2-CZ 4.23Å; L103-F132 HydrophobicContact CG-CE2 4.14Å; L103-F132 HydrophobicContact CG-CZ 4.05Å; S105-F132 VanDerWaalsContact C-CE2 3.47Å; S105-F132 WeakPolarHBondContact O-CE2 3.32Å; S105-F132 VanDerWaalsContact O-CZ 3.31Å; S105-F132 WeakPolarHBondContact O-CZ 3.41Å; K106-F132 HydrophobicContact CB-CB 4.4Å; K106-F132 HydrophobicContact CB-CD2 4.06Å; K106-F132 HydrophobicContact CB-CG 4.18Å; L109-F132 HydrophobicContact CB-CE2 3.88Å; L109-F132 HydrophobicContact CD2-CD2 4.18Å; L109-F132 HydrophobicContact CD2-CE2 3.72Å; L109-F132 HydrophobicContact CG-CE2 4.46Å; S128-F132 WeakPolarHBondContact O-CD2 3.46Å; S128-F132 PolarHBondContact O-N 3.12Å; S128-F132 VanDerWaalsContact O-N 3.16Å; E129-F132 PolarHBondContact O-N 2.95Å; I130-F132 VanDerWaalsContact C-N 3.26Å; I130-F132 PolarHBondContact O-N 3.02Å
133	Q	96.8	Very high	94.6	Very high	70 Å²	70	44.3 Å²	44.3	33%	0.327	23%	0.23	S	C	.	.	S	Bend	trans	-60.9	137.2	172.1	-89.9	178.5	-5.8	0	0	110.8	K21 E129 I130 L135 F138	K21-Q133 PolarHBondContact NZ-O 2.64Å; E129-Q133 WeakPolarHBondContact O-CG 3.45Å; E129-Q133 PolarHBondContact O-N 3.34Å; I130-Q133 PolarHBondContact O-N 3.34Å; Q133-L135 PolarHBondContact O-N 3.24Å; Q133-F138 HydrophobicContact CB-CE2 3.85Å; Q133-F138 HydrophobicContact CB-CZ 4.1Å
134	P	96.2	Very high	94.5	Very high	88 Å²	88	44 Å²	44	57%	0.571	23%	0.228	S	C	*	.			trans	-55.9	137	176.1	-25.3	34.1	0	0	0	111.4	E136 S137	P134-E136 PolarHBondContact O-N 3.45Å; P134-S137 WeakPolarHBondContact O-CB 3.44Å; P134-S137 PolarHBondContact O-N 3.17Å; P134-S137 PolarHBondContact O-OG 3.34Å
135	L	95.1	Very high	94.1	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.3	-34.2	-172.3	-166.7	63.8	0	0	0	112.5	M1 L17 K21 L75 Q133 S137 F138	M1-L135 HydrophobicContact CE-CD2 4.26Å; L17-L135 HydrophobicContact CB-CD1 3.77Å; L17-L135 HydrophobicContact CB-CD2 3.91Å; L17-L135 HydrophobicContact CB-CG 3.51Å; L17-L135 HydrophobicContact CD1-CD2 4.43Å; L17-L135 HydrophobicContact CD1-CG 4.13Å; L17-L135 HydrophobicContact CG-CG 4.47Å; K21-L135 HydrophobicContact CB-CD1 4.37Å; K21-L135 HydrophobicContact CD-CD1 4.05Å; L75-L135 HydrophobicContact CD1-CD2 3.6Å; Q133-L135 PolarHBondContact O-N 3.24Å; L135-S137 PolarHBondContact O-N 2.95Å; L135-F138 PolarHBondContact O-N 3.34Å
136	E	93.8	Very high	93.5	Very high	78 Å²	78	50.4 Å²	50.4	36%	0.364	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-63.1	-24.6	177.6	-64.5	82	179.5	0	0	113.6	P134 F138 Q139	P134-E136 PolarHBondContact O-N 3.45Å; E136-F138 PolarHBondContact O-N 3.44Å; E136-Q139 WeakPolarHBondContact O-CB 3.33Å; E136-Q139 PolarHBondContact O-N 2.85Å; E136-Q139 VanDerWaalsContact O-N 3.09Å
137	S	94.6	Very high	93.1	Very high	44 Å²	44	46.5 Å²	46.5	31%	0.308	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.9	-28	178.4	68.9	0	0	0	0	112.1	P134 L135 Q139 T140	P134-S137 WeakPolarHBondContact O-CB 3.44Å; P134-S137 PolarHBondContact O-N 3.17Å; P134-S137 PolarHBondContact O-OG 3.34Å; L135-S137 PolarHBondContact O-N 2.95Å; S137-Q139 PolarHBondContact O-N 2.92Å; S137-T140 PolarHBondContact O-N 3.46Å; S137-T140 PolarHBondContact O-OG1 2.87Å
138	F	94.8	Very high	92.8	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-73.4	-11.1	178	-64.5	-89.4	0	0	0	113.4	L17 K21 V24 I130 Q133 L135 E136 T140 Q141	L17-F138 HydrophobicContact CD2-CB 4.29Å; K21-F138 HydrophobicContact CB-CD1 3.96Å; K21-F138 HydrophobicContact CB-CD2 4Å; K21-F138 HydrophobicContact CB-CE1 3.86Å; K21-F138 HydrophobicContact CB-CE2 3.91Å; K21-F138 HydrophobicContact CB-CG 4.04Å; K21-F138 HydrophobicContact CB-CZ 3.86Å; K21-F138 HydrophobicContact CD-CD2 4.13Å; K21-F138 HydrophobicContact CD-CE2 3.52Å; K21-F138 HydrophobicContact CD-CZ 3.86Å; K21-F138 HydrophobicContact CG-CD1 4.48Å; K21-F138 HydrophobicContact CG-CD2 4.24Å; K21-F138 HydrophobicContact CG-CE1 3.91Å; K21-F138 HydrophobicContact CG-CE2 3.65Å; K21-F138 HydrophobicContact CG-CZ 3.47Å; K21-F138 VanDerWaalsContact CG-CZ 3.47Å; V24-F138 HydrophobicContact CB-CE1 4.09Å; V24-F138 HydrophobicContact CG1-CE1 4.32Å; V24-F138 HydrophobicContact CG2-CD1 4.14Å; V24-F138 HydrophobicContact CG2-CE1 3.95Å; I130-F138 HydrophobicContact CG2-CZ 4.42Å; Q133-F138 HydrophobicContact CB-CE2 3.85Å; Q133-F138 HydrophobicContact CB-CZ 4.1Å; L135-F138 PolarHBondContact O-N 3.34Å; E136-F138 PolarHBondContact O-N 3.44Å; F138-T140 PolarHBondContact O-N 3.48Å; F138-Q141 HydrophobicContact CB-CG 4.4Å; F138-Q141 HydrophobicContact CD1-CG 4.17Å; F138-Q141 WeakPolarHBondContact O-CB 3.37Å; F138-Q141 WeakPolarHBondContact O-CG 3.45Å; F138-Q141 PolarHBondContact O-N 3.2Å; F138-Q141 VanDerWaalsContact O-N 3.08Å
139	Q	91.8	Very high	92.3	Very high	66 Å²	66	54.3 Å²	54.3	31%	0.308	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.9	-24.2	176	-165.9	-175	-30.2	0	0	112.5	L17 E136 S137 V144 W148	L17-Q139 HydrophobicContact CD2-CB 3.96Å; E136-Q139 WeakPolarHBondContact O-CB 3.33Å; E136-Q139 PolarHBondContact O-N 2.85Å; E136-Q139 VanDerWaalsContact O-N 3.09Å; S137-Q139 PolarHBondContact O-N 2.92Å; Q139-V144 HydrophobicContact CG-CG1 4.47Å; Q139-W148 VanDerWaalsContact CD-CE2 3.44Å; Q139-W148 VanDerWaalsContact CD-CZ2 3.45Å; Q139-W148 HydrophobicContact CG-CD2 3.81Å; Q139-W148 HydrophobicContact CG-CE3 4.02Å; Q139-W148 HydrophobicContact CG-CG 4.38Å; Q139-W148 HydrophobicContact CG-CH2 4.05Å; Q139-W148 HydrophobicContact CG-CZ2 3.87Å; Q139-W148 HydrophobicContact CG-CZ3 4.13Å
140	T	88	Confident	91.7	Very high	115 Å²	115	52.7 Å²	52.7	71%	0.706	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-84.3	-9.6	178.4	62.4	0	0	0	0	113.6	S137 F138	S137-T140 PolarHBondContact O-N 3.46Å; S137-T140 PolarHBondContact O-OG1 2.87Å; F138-T140 PolarHBondContact O-N 3.48Å
141	Q	89.7	Confident	91.3	Very high	55 Å²	55	51.9 Å²	51.9	26%	0.257	27%	0.267	S	S	.	.	S	Bend	trans	-67.4	139.6	176.8	-62.4	-62.2	-30.4	0	0	110	E20 F138 V144 H145	E20-Q141 HydrophobicContact CG-CB 3.82Å; E20-Q141 HydrophobicContact CG-CG 4.08Å; F138-Q141 HydrophobicContact CB-CG 4.4Å; F138-Q141 HydrophobicContact CD1-CG 4.17Å; F138-Q141 WeakPolarHBondContact O-CB 3.37Å; F138-Q141 WeakPolarHBondContact O-CG 3.45Å; F138-Q141 PolarHBondContact O-N 3.2Å; F138-Q141 VanDerWaalsContact O-N 3.08Å; Q141-V144 PolarHBondContact O-N 3.14Å; Q141-H145 WeakPolarHBondContact O-CB 3.39Å; Q141-H145 PolarHBondContact O-N 2.98Å
142	F	87.8	Confident	90.8	Very high	49 Å²	49	54.6 Å²	54.6	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-50.7	-46.9	-173.9	175.8	-93.6	0	0	0	114	V144 H145 N146 N263 Y279	F142-V144 VanDerWaalsContact C-N 3.3Å; F142-V144 PolarHBondContact O-N 3.44Å; F142-H145 PolarHBondContact O-N 3.02Å; F142-N146 WeakPolarHBondContact CD1-ND2 3.4Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.33Å; F142-N146 VanDerWaalsContact CE2-ND2 3.33Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.49Å; F142-N146 VanDerWaalsContact O-CG 3.25Å; F142-N146 PolarHBondContact O-N 2.91Å; F142-N146 VanDerWaalsContact O-N 3.09Å; F142-N146 PolarHBondContact O-ND2 3.39Å; F142-N263 HydrophobicContact CE1-CB 3.67Å; F142-N263 WeakPolarHBondContact CE1-ND2 3.36Å; F142-N263 HydrophobicContact CZ-CB 4.15Å; F142-Y279 WeakPolarHBondContact CB-O 3.47Å
143	P	87.1	Confident	90.2	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.032	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-35.4	-179.6	-24.2	36	0	0	0	113.5	I284	P143-I284 HydrophobicContact CB-CD1 4.03Å; P143-I284 HydrophobicContact CB-CG1 4.05Å
144	V	91.1	Very high	89.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-78.1	-46.1	178.5	178.4	0	0	0	0	110.6	I16 L17 E20 Q139 Q141 F142 N146 I147 W148 I284	I16-V144 HydrophobicContact CG2-CG1 4.23Å; I16-V144 HydrophobicContact CG2-CG2 4.3Å; L17-V144 HydrophobicContact CD2-CG1 3.93Å; E20-V144 HydrophobicContact CB-CG2 3.49Å; E20-V144 VanDerWaalsContact CB-CG2 3.49Å; E20-V144 HydrophobicContact CG-CG2 3.65Å; Q139-V144 HydrophobicContact CG-CG1 4.47Å; Q141-V144 PolarHBondContact O-N 3.14Å; F142-V144 VanDerWaalsContact C-N 3.3Å; F142-V144 PolarHBondContact O-N 3.44Å; V144-N146 VanDerWaalsContact C-N 3.25Å; V144-N146 PolarHBondContact O-N 3.08Å; V144-I147 WeakPolarHBondContact O-CG1 3.39Å; V144-I147 PolarHBondContact O-N 3.18Å; V144-I147 VanDerWaalsContact O-N 3.09Å; V144-W148 HydrophobicContact CG1-CD2 4.44Å; V144-W148 HydrophobicContact CG1-CE3 3.45Å; V144-W148 VanDerWaalsContact CG1-CE3 3.45Å; V144-W148 HydrophobicContact CG1-CZ3 3.82Å; V144-W148 WeakPolarHBondContact O-CB 3.33Å; V144-W148 PolarHBondContact O-N 3.43Å; V144-I284 HydrophobicContact CG2-CD1 3.55Å
145	H	88.5	Confident	89.1	Confident	121 Å²	121	49.7 Å²	49.7	56%	0.56	26%	0.262	S	S	*	.	H	α-helix	trans	-54.9	-43.5	-179.4	-177.7	66.3	0	0	0	111.6	Q141 F142 I147 W148	Q141-H145 WeakPolarHBondContact O-CB 3.39Å; Q141-H145 PolarHBondContact O-N 2.98Å; F142-H145 PolarHBondContact O-N 3.02Å; H145-I147 PolarHBondContact O-N 3.27Å; H145-W148 PolarHBondContact O-N 3.28Å
146	N	85	Confident	88.3	Confident	89 Å²	89	53.8 Å²	53.8	48%	0.476	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-24.7	-179.3	-73.3	-17.2	0	0	0	114.6	F142 V144	F142-N146 WeakPolarHBondContact CD1-ND2 3.4Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.33Å; F142-N146 VanDerWaalsContact CE2-ND2 3.33Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.23Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.49Å; F142-N146 VanDerWaalsContact O-CG 3.25Å; F142-N146 PolarHBondContact O-N 2.91Å; F142-N146 VanDerWaalsContact O-N 3.09Å; F142-N146 PolarHBondContact O-ND2 3.39Å; V144-N146 VanDerWaalsContact C-N 3.25Å; V144-N146 PolarHBondContact O-N 3.08Å
147	I	89	Confident	87.1	Confident	18 Å²	18	52.7 Å²	52.7	9%	0.092	28%	0.284	C	S	.	.	H	α-helix	trans	-105.6	-10.1	-178.3	64	162.4	0	0	0	112.7	I16 V144 H145 E149 N150 L151 I284 N304	I16-I147 HydrophobicContact CD1-CD1 4.38Å; I16-I147 HydrophobicContact CG2-CD1 3.92Å; V144-I147 WeakPolarHBondContact O-CG1 3.39Å; V144-I147 PolarHBondContact O-N 3.18Å; V144-I147 VanDerWaalsContact O-N 3.09Å; H145-I147 PolarHBondContact O-N 3.27Å; I147-E149 PolarHBondContact O-N 3.12Å; I147-N150 PolarHBondContact O-N 3.03Å; I147-L151 WeakPolarHBondContact O-CB 3.45Å; I147-L151 PolarHBondContact O-N 3.39Å; I147-I284 HydrophobicContact CD1-CB 3.79Å; I147-I284 HydrophobicContact CD1-CD1 4.44Å; I147-I284 HydrophobicContact CD1-CG2 3.65Å; I147-N304 WeakPolarHBondContact CG2-ND2 3.48Å
148	W	89.6	Confident	86	Confident	22 Å²	22	50.6 Å²	50.6	8%	0.083	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-41.6	-166.1	-162.7	-100.1	0	0	0	113.4	K13 L17 Q139 V144 H145 L151 I152	K13-W148 HydrophobicContact CB-CH2 4.17Å; K13-W148 HydrophobicContact CD-CZ2 4.47Å; K13-W148 HydrophobicContact CG-CH2 4.17Å; L17-W148 HydrophobicContact CD1-CH2 4.23Å; L17-W148 HydrophobicContact CD2-CH2 4.36Å; L17-W148 HydrophobicContact CD2-CZ3 4.03Å; L17-W148 HydrophobicContact CG-CH2 4.34Å; L17-W148 HydrophobicContact CG-CZ3 4.21Å; Q139-W148 VanDerWaalsContact CD-CE2 3.44Å; Q139-W148 VanDerWaalsContact CD-CZ2 3.45Å; Q139-W148 HydrophobicContact CG-CD2 3.81Å; Q139-W148 HydrophobicContact CG-CE3 4.02Å; Q139-W148 HydrophobicContact CG-CG 4.38Å; Q139-W148 HydrophobicContact CG-CH2 4.05Å; Q139-W148 HydrophobicContact CG-CZ2 3.87Å; Q139-W148 HydrophobicContact CG-CZ3 4.13Å; V144-W148 HydrophobicContact CG1-CD2 4.44Å; V144-W148 HydrophobicContact CG1-CE3 3.45Å; V144-W148 VanDerWaalsContact CG1-CE3 3.45Å; V144-W148 HydrophobicContact CG1-CZ3 3.82Å; V144-W148 WeakPolarHBondContact O-CB 3.33Å; V144-W148 PolarHBondContact O-N 3.43Å; H145-W148 PolarHBondContact O-N 3.28Å; W148-L151 HydrophobicContact CD2-CD2 4.42Å; W148-L151 HydrophobicContact CE3-CD2 3.9Å; W148-L151 HydrophobicContact CZ3-CD2 3.96Å; W148-L151 WeakPolarHBondContact O-CB 3.34Å; W148-L151 PolarHBondContact O-N 2.97Å; W148-I152 WeakPolarHBondContact O-CG1 3.1Å; W148-I152 PolarHBondContact O-N 2.94Å
149	E	87.2	Confident	84.6	Confident	141 Å²	141	54.3 Å²	54.3	66%	0.659	29%	0.29	S	S	*	.	H	α-helix	trans	-66	-42.6	177.4	-70	-57.2	132.7	0	0	111.9	I147 L151 I152 S153	I147-E149 PolarHBondContact O-N 3.12Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 2.95Å; E149-I152 PolarHBondContact O-N 2.75Å; E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 2.84Å
150	N	86.4	Confident	83.1	Confident	75 Å²	75	60.4 Å²	60.4	40%	0.401	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-38.1	175.3	179.3	-95.9	0	0	0	111.8	I147 S154 W286	I147-N150 PolarHBondContact O-N 3.03Å; N150-S154 WeakPolarHBondContact O-CB 3.01Å; N150-S154 PolarHBondContact O-N 3.15Å; N150-S154 PolarHBondContact O-OG 3.03Å; N150-W286 WeakPolarHBondContact OD1-CZ2 3.42Å
151	L	88.6	Confident	81.9	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-51	173.6	174	67.9	0	0	0	111.5	L12 K13 I16 I147 W148 E149 S153 S154 C155 W286	L12-L151 HydrophobicContact CD1-CD1 4.5Å; L12-L151 HydrophobicContact CD2-CD1 3.5Å; L12-L151 HydrophobicContact CG-CD1 3.79Å; K13-L151 HydrophobicContact CG-CD2 3.94Å; I16-L151 HydrophobicContact CD1-CD1 3.76Å; I16-L151 HydrophobicContact CD1-CD2 3.53Å; I16-L151 HydrophobicContact CD1-CG 4.22Å; I147-L151 WeakPolarHBondContact O-CB 3.45Å; I147-L151 PolarHBondContact O-N 3.39Å; W148-L151 HydrophobicContact CD2-CD2 4.42Å; W148-L151 HydrophobicContact CE3-CD2 3.9Å; W148-L151 HydrophobicContact CZ3-CD2 3.96Å; W148-L151 WeakPolarHBondContact O-CB 3.34Å; W148-L151 PolarHBondContact O-N 2.97Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 2.95Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 3.49Å; L151-S154 PolarHBondContact O-N 3.5Å; L151-C155 WeakPolarHBondContact O-CB 3.4Å; L151-C155 PolarHBondContact O-N 3.37Å; L151-C155 PolarHBondContact O-SG 2.89Å; L151-W286 HydrophobicContact CB-CZ2 4.03Å; L151-W286 HydrophobicContact CD1-CD2 4.1Å; L151-W286 HydrophobicContact CD1-CE3 4.32Å; L151-W286 HydrophobicContact CD1-CH2 4.28Å; L151-W286 HydrophobicContact CD1-CZ2 3.96Å; L151-W286 HydrophobicContact CD1-CZ3 4.43Å
152	I	87.1	Confident	80.6	Confident	57 Å²	57	53.4 Å²	53.4	29%	0.292	28%	0.275	S	S	.	.	H	α-helix	trans	-57.6	-47.3	178.2	-69.5	169.9	0	0	0	110.4	W148 E149 S154 C155 N156	W148-I152 WeakPolarHBondContact O-CG1 3.1Å; W148-I152 PolarHBondContact O-N 2.94Å; E149-I152 PolarHBondContact O-N 2.75Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 3.12Å; I152-C155 PolarHBondContact O-N 3.44Å; I152-N156 PolarHBondContact O-N 3.43Å
153	S	85.7	Confident	79.3	Confident	79 Å²	79	56.2 Å²	56.2	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-57.8	-44.9	178.5	-172.5	0	0	0	0	112.1	E149 L151 N156	E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 2.84Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 3.49Å; S153-N156 WeakPolarHBondContact O-CB 3.5Å; S153-N156 PolarHBondContact O-N 2.85Å
154	S	85	Confident	78.4	Confident	17 Å²	17	61.4 Å²	61.4	12%	0.119	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-35.5	178.5	-63.4	0	0	0	0	113.1	N150 L151 I152 N156 S157 W286 S302	N150-S154 WeakPolarHBondContact O-CB 3.01Å; N150-S154 PolarHBondContact O-N 3.15Å; N150-S154 PolarHBondContact O-OG 3.03Å; L151-S154 PolarHBondContact O-N 3.5Å; I152-S154 VanDerWaalsContact C-N 3.33Å; I152-S154 PolarHBondContact O-N 3.12Å; S154-N156 PolarHBondContact O-N 3.25Å; S154-S157 PolarHBondContact O-N 3.1Å; S154-S157 PolarHBondContact O-OG 2.77Å; S154-W286 VanDerWaalsContact CB-CH2 3.48Å; S154-W286 WeakPolarHBondContact OG-CH2 3.32Å; S154-S302 WeakPolarHBondContact CB-OG 3.21Å; S154-S302 PolarHBondContact OG-OG 3.4Å; S154-S302 VanDerWaalsContact OG-OG 3.05Å
155	C	84.1	Confident	77.5	Confident	4 Å²	4	65.4 Å²	65.4	3%	0.027	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-20.8	177	-72.9	0	0	0	0	112.8	V9 L151 I152 S157 L158 L159	V9-C155 HydrophobicContact CG1-CB 3.88Å; V9-C155 HydrophobicContact CG2-CB 4.07Å; L151-C155 WeakPolarHBondContact O-CB 3.4Å; L151-C155 PolarHBondContact O-N 3.37Å; L151-C155 PolarHBondContact O-SG 2.89Å; I152-C155 PolarHBondContact O-N 3.44Å; C155-S157 PolarHBondContact O-N 2.99Å; C155-L158 WeakPolarHBondContact O-CB 3.32Å; C155-L158 PolarHBondContact O-N 3.48Å; C155-L159 PolarHBondContact O-N 3.35Å
156	N	78.2	Confident	77	Confident	94 Å²	94	60.1 Å²	60.1	50%	0.503	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.9	175.5	-68.4	-30.3	0	0	0	112.9	I152 S153 S154	I152-N156 PolarHBondContact O-N 3.43Å; S153-N156 WeakPolarHBondContact O-CB 3.5Å; S153-N156 PolarHBondContact O-N 2.85Å; S154-N156 PolarHBondContact O-N 3.25Å
157	S	69.8	Low	76.8	Confident	54 Å²	54	60 Å²	60	38%	0.378	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.4	172.5	65.4	0	0	0	0	113.3	S154 C155	S154-S157 PolarHBondContact O-N 3.1Å; S154-S157 PolarHBondContact O-OG 2.77Å; C155-S157 PolarHBondContact O-N 2.99Å
158	L	71.6	Confident	76.6	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-77.9	-29.1	179.2	-69.6	171.6	0	0	0	112.8	V9 C155 K160 I161 T162 F288 F290	V9-L158 HydrophobicContact CG2-CB 3.77Å; V9-L158 HydrophobicContact CG2-CD1 3.9Å; C155-L158 WeakPolarHBondContact O-CB 3.32Å; C155-L158 PolarHBondContact O-N 3.48Å; L158-K160 PolarHBondContact O-N 2.83Å; L158-I161 PolarHBondContact O-N 2.87Å; L158-T162 HydrophobicContact CD2-CG2 4.19Å; L158-T162 PolarHBondContact O-OG1 3.46Å; L158-F288 HydrophobicContact CD1-CD1 3.98Å; L158-F288 HydrophobicContact CD1-CD2 4.18Å; L158-F288 HydrophobicContact CD1-CE1 3.77Å; L158-F288 HydrophobicContact CD1-CE2 4.01Å; L158-F288 HydrophobicContact CD1-CG 4.16Å; L158-F288 HydrophobicContact CD1-CZ 3.79Å; L158-F288 HydrophobicContact CD2-CD2 3.82Å; L158-F288 HydrophobicContact CD2-CE2 3.6Å; L158-F288 HydrophobicContact CD2-CZ 4.13Å; L158-F288 HydrophobicContact CG-CD2 4.29Å; L158-F288 HydrophobicContact CG-CE1 4.28Å; L158-F288 HydrophobicContact CG-CE2 3.8Å; L158-F288 HydrophobicContact CG-CZ 3.77Å; L158-F290 HydrophobicContact CD1-CE2 4.47Å; L158-F290 HydrophobicContact CD2-CD2 3.54Å; L158-F290 HydrophobicContact CD2-CE2 4.04Å; L158-F290 HydrophobicContact CD2-CG 4.32Å
159	L	65.7	Low	76.6	Confident	80 Å²	80	63.5 Å²	63.5	42%	0.419	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-52.3	-22.2	179.5	-86.1	161.2	0	0	0	114.4	P6 C155	P6-L159 HydrophobicContact CG-CD2 3.8Å; P6-L159 HydrophobicContact CG-CG 4.33Å; C155-L159 PolarHBondContact O-N 3.35Å
160	K	60.6	Low	76.7	Confident	194 Å²	194	63.7 Å²	63.7	84%	0.843	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-92.6	-17.3	-179.6	-68.5	-175.4	179.9	-180	0	115	L158	L158-K160 PolarHBondContact O-N 2.83Å
161	I	61.2	Low	76.8	Confident	21 Å²	21	61.5 Å²	61.5	11%	0.108	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-35.3	-161.6	-70.2	167.6	0	0	0	113.3	L158 D163 D292 T300	L158-I161 PolarHBondContact O-N 2.87Å; I161-D163 PolarHBondContact O-N 2.75Å; I161-D292 HydrophobicContact CG2-CB 3.86Å; I161-T300 HydrophobicContact CD1-CG2 3.23Å; I161-T300 VanDerWaalsContact CD1-OG1 3.24Å; I161-T300 WeakPolarHBondContact CD1-OG1 3.21Å
162	T	62.4	Low	77	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.012	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.8	-158	57.4	0	0	0	0	116.2	P6 C8 L158 T164 Y166	P6-T162 VanDerWaalsContact CB-OG1 3.26Å; P6-T162 WeakPolarHBondContact CB-OG1 3.49Å; C8-T162 HydrophobicContact CB-CG2 4.3Å; C8-T162 WeakPolarHBondContact SG-CB 3.46Å; C8-T162 WeakPolarHBondContact SG-CG2 3.48Å; C8-T162 PolarHBondContact SG-OG1 2.9Å; L158-T162 HydrophobicContact CD2-CG2 4.19Å; L158-T162 PolarHBondContact O-OG1 3.46Å; T162-T164 VanDerWaalsContact C-N 3.3Å; T162-T164 PolarHBondContact O-N 3.34Å; T162-Y166 PolarHBondContact O-N 3.15Å
163	D	62.1	Low	77.4	Confident	108 Å²	108	58.8 Å²	58.8	58%	0.578	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.8	-170.1	-82.9	-7.6	0	0	0	115.1	I161	I161-D163 PolarHBondContact O-N 2.75Å
164	T	66.9	Low	78	Confident	113 Å²	113	55 Å²	55	69%	0.693	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-49.2	-176.5	55.1	0	0	0	0	113.7	T162	T162-T164 VanDerWaalsContact C-N 3.3Å; T162-T164 PolarHBondContact O-N 3.34Å
165	K	72	Confident	78.6	Confident	84 Å²	84	54.2 Å²	54.2	37%	0.365	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-32.1	-177.3	-172.1	-179.6	178.8	-159.4	0	113.2
166	Y	79.2	Confident	79.3	Confident	11 Å²	11	54 Å²	54	4%	0.043	29%	0.288	C	S	.	.	S	Bend	trans	-123.1	38.5	-164.3	-72.6	-49.8	0	0	0	111.4	T162 F172 L252 F290	T162-Y166 PolarHBondContact O-N 3.15Å; Y166-F172 AromaticContact CD1-CE1 3.55Å; Y166-F172 HydrophobicContact CD1-CE1 3.55Å; Y166-F172 AromaticContact CD1-CZ 3.63Å; Y166-F172 HydrophobicContact CD1-CZ 3.63Å; Y166-F172 HydrophobicContact CE1-CE1 4.13Å; Y166-F172 HydrophobicContact CG-CE1 4.22Å; Y166-F172 AromaticContact CG-CZ 3.98Å; Y166-F172 HydrophobicContact CG-CZ 3.98Å; Y166-L252 HydrophobicContact CD1-CD1 4.37Å; Y166-L252 HydrophobicContact CE1-CD1 3.73Å; Y166-F290 AromaticContact CD2-CD1 3.74Å; Y166-F290 HydrophobicContact CD2-CD1 3.74Å; Y166-F290 HydrophobicContact CD2-CE1 4.13Å; Y166-F290 AromaticContact CE2-CD1 3.54Å; Y166-F290 HydrophobicContact CE2-CD1 3.54Å; Y166-F290 HydrophobicContact CE2-CE1 4.21Å
167	C	79.2	Confident	80.2	Confident	87 Å²	87	49.7 Å²	49.7	59%	0.588	26%	0.264	S	S	*	.			trans	-91	-16	-178.6	60.7	0	0	0	0	113.8
168	D	86.8	Confident	81.6	Confident	80 Å²	80	47.1 Å²	47.1	43%	0.428	25%	0.246	S	C	.	.			trans	-104.3	130.8	179.6	-167.2	-11.7	0	0	0	110.9	E170 A171 F172	D168-E170 VanDerWaalsContact C-N 3.26Å; D168-E170 PolarHBondContact O-N 3.12Å; D168-E170 PolarHBondContact OD1-N 3.13Å; D168-A171 WeakPolarHBondContact O-CB 3.34Å; D168-A171 PolarHBondContact O-N 2.78Å; D168-F172 WeakPolarHBondContact O-CE2 3.48Å
169	I	89.1	Confident	82.8	Confident	32 Å²	32	47.1 Å²	47.1	16%	0.164	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.5	-30.1	177.6	-168	72.4	0	0	0	111.7	L7 L11 F76 F79 A171 F172	L7-I169 HydrophobicContact CD1-CD1 4.13Å; L7-I169 HydrophobicContact CD2-CB 4.26Å; L7-I169 HydrophobicContact CD2-CD1 4.37Å; L11-I169 HydrophobicContact CD1-CD1 4.14Å; L11-I169 HydrophobicContact CD2-CD1 3.93Å; L11-I169 HydrophobicContact CG-CD1 4.38Å; F76-I169 HydrophobicContact CB-CD1 3.82Å; F76-I169 HydrophobicContact CB-CG1 3.96Å; F76-I169 HydrophobicContact CD1-CD1 3.97Å; F76-I169 HydrophobicContact CD2-CD1 4.45Å; F76-I169 HydrophobicContact CG-CD1 3.82Å; F76-I169 HydrophobicContact CG-CG1 4.49Å; F79-I169 HydrophobicContact CB-CG1 4.4Å; F79-I169 HydrophobicContact CD2-CD1 3.8Å; F79-I169 HydrophobicContact CD2-CG1 3.35Å; F79-I169 HydrophobicContact CE2-CD1 3.83Å; F79-I169 HydrophobicContact CE2-CG1 3.73Å; F79-I169 HydrophobicContact CG-CD1 4.29Å; F79-I169 HydrophobicContact CG-CG1 4.04Å; F79-I169 HydrophobicContact CZ-CD1 4.34Å; I169-A171 PolarHBondContact O-N 2.71Å; I169-F172 HydrophobicContact CD1-CD2 4.43Å; I169-F172 PolarHBondContact O-N 3.21Å; I169-F172 VanDerWaalsContact O-N 3.07Å
170	E	89	Confident	84.3	Confident	145 Å²	145	43.7 Å²	43.7	68%	0.678	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-65.8	-21.1	-178.4	-65.1	-170.6	177.6	0	0	113.1	D168 F172 K468	D168-E170 VanDerWaalsContact C-N 3.26Å; D168-E170 PolarHBondContact O-N 3.12Å; D168-E170 PolarHBondContact OD1-N 3.13Å; E170-F172 PolarHBondContact O-N 3.34Å; E170-K468 PolarHBondContact O-NZ 3.45Å
171	A	89.4	Confident	85.8	Confident	29 Å²	29	35.1 Å²	35.1	24%	0.24	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-65.4	-17.4	175.2	0	0	0	0	0	112.8	D168 I169 C246	D168-A171 WeakPolarHBondContact O-CB 3.34Å; D168-A171 PolarHBondContact O-N 2.78Å; I169-A171 PolarHBondContact O-N 2.71Å; A171-C246 WeakPolarHBondContact O-CB 3.26Å; A171-C246 PolarHBondContact O-N 3.47Å; A171-C246 PolarHBondContact O-SG 2.95Å
172	F	92.7	Very high	87.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	153.4	-174.9	-53.9	-64.5	0	0	0	113.4	L7 L11 F79 Y166 D168 I169 E170 L243 F244 C246 L252 K468	L7-F172 HydrophobicContact CD2-CE2 3.91Å; L7-F172 HydrophobicContact CG-CE2 4.31Å; L11-F172 HydrophobicContact CD1-CD2 3.63Å; L11-F172 HydrophobicContact CD1-CE2 3.72Å; L11-F172 HydrophobicContact CD1-CG 4.22Å; L11-F172 HydrophobicContact CD1-CZ 4.36Å; F79-F172 HydrophobicContact CE2-CB 3.94Å; F79-F172 HydrophobicContact CZ-CB 3.97Å; Y166-F172 AromaticContact CD1-CE1 3.55Å; Y166-F172 HydrophobicContact CD1-CE1 3.55Å; Y166-F172 AromaticContact CD1-CZ 3.63Å; Y166-F172 HydrophobicContact CD1-CZ 3.63Å; Y166-F172 HydrophobicContact CE1-CE1 4.13Å; Y166-F172 HydrophobicContact CG-CE1 4.22Å; Y166-F172 AromaticContact CG-CZ 3.98Å; Y166-F172 HydrophobicContact CG-CZ 3.98Å; D168-F172 WeakPolarHBondContact O-CE2 3.48Å; I169-F172 HydrophobicContact CD1-CD2 4.43Å; I169-F172 PolarHBondContact O-N 3.21Å; I169-F172 VanDerWaalsContact O-N 3.07Å; E170-F172 PolarHBondContact O-N 3.34Å; F172-L243 HydrophobicContact CB-CD1 4.1Å; F172-L243 HydrophobicContact CB-CD2 4.25Å; F172-L243 HydrophobicContact CB-CG 4.13Å; F172-L243 HydrophobicContact CD1-CD2 3.46Å; F172-L243 VanDerWaalsContact CD1-CD2 3.46Å; F172-L243 HydrophobicContact CD1-CG 4.26Å; F172-L243 HydrophobicContact CE1-CD2 4.04Å; F172-L243 HydrophobicContact CG-CD1 4.28Å; F172-L243 HydrophobicContact CG-CD2 4.04Å; F172-L243 HydrophobicContact CG-CG 4.39Å; F172-F244 WeakPolarHBondContact CA-O 3.41Å; F172-C246 PolarHBondContact O-SG 2.88Å; F172-L252 HydrophobicContact CD1-CD1 4.04Å; F172-L252 HydrophobicContact CE1-CD1 3.69Å; F172-K468 PolarHBondContact O-NZ 3.27Å
173	G	95.2	Very high	88.6	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.8	163.1	0	0	0	0	0	109.4	S82 L243 F244 C246	S82-G173 CarbonylContact O-C 3.6Å; S82-G173 WeakPolarHBondContact O-CA 3.36Å; G173-L243 CarbonylContact O-C 3.59Å; G173-L243 VanDerWaalsContact O-CA 3.24Å; G173-L243 WeakPolarHBondContact O-CA 3.28Å; G173-F244 PolarHBondContact N-O 2.75Å; G173-F244 WeakPolarHBondContact O-CD1 3.23Å; G173-F244 PolarHBondContact O-N 2.95Å; G173-C246 PolarHBondContact N-SG 3.04Å; G173-C246 VanDerWaalsContact N-SG 3.44Å
174	V	97.5	Very high	89.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.4	176.6	175	0	0	0	0	108.8	L15 L72 F79 S82 V83 F84 L241 G242 L243	L15-V174 HydrophobicContact CD2-CG1 4.24Å; L15-V174 HydrophobicContact CD2-CG2 4.27Å; L72-V174 HydrophobicContact CD1-CG2 4.37Å; F79-V174 HydrophobicContact CE1-CG2 3.64Å; F79-V174 HydrophobicContact CZ-CG2 3.92Å; S82-V174 PolarHBondContact O-N 3.48Å; V83-V174 HydrophobicContact CG1-CG1 4.48Å; V83-V174 HydrophobicContact CG2-CB 4.25Å; F84-V174 PolarHBondContact N-O 3.49Å; V174-L241 HydrophobicContact CG1-CD2 4.27Å; V174-G242 CarbonylContact C-O 3.54Å; V174-G242 WeakPolarHBondContact CA-O 3.17Å; V174-L243 HydrophobicContact CG2-CB 4.1Å; V174-L243 HydrophobicContact CG2-CD1 4.12Å; V174-L243 HydrophobicContact CG2-CG 4.29Å
175	W	97.9	Very high	91	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	133	162.6	-75.8	110.2	0	0	0	109.6	F84 G242 F244 V408 W409 C412 Y464 L467 C484	F84-W175 HydrophobicContact CB-CD2 3.92Å; F84-W175 HydrophobicContact CB-CE3 3.39Å; F84-W175 HydrophobicContact CB-CH2 3.54Å; F84-W175 HydrophobicContact CB-CZ2 4.05Å; F84-W175 HydrophobicContact CB-CZ3 3.18Å; F84-W175 HydrophobicContact CD2-CD2 4.46Å; F84-W175 HydrophobicContact CD2-CZ2 4.25Å; F84-W175 HydrophobicContact CG-CE3 4.48Å; F84-W175 HydrophobicContact CG-CH2 4.13Å; F84-W175 HydrophobicContact CG-CZ2 4.29Å; F84-W175 HydrophobicContact CG-CZ3 4.23Å; F84-W175 CarbonylContact O-C 3.54Å; F84-W175 VanDerWaalsContact O-CA 3.31Å; F84-W175 WeakPolarHBondContact O-CA 3.34Å; W175-G242 PolarHBondContact N-O 2.97Å; W175-G242 PolarHBondContact O-N 2.93Å; W175-F244 AromaticContact CD1-CD1 3.52Å; W175-F244 AromaticContact CD1-CE1 3.36Å; W175-F244 HydrophobicContact CG-CE1 4.27Å; W175-F244 AromaticContact NE1-CD1 3.9Å; W175-F244 AromaticContact NE1-CE1 3.35Å; W175-F244 AromaticContact NE1-CZ 3.86Å; W175-V408 HydrophobicContact CD2-CG2 3.68Å; W175-V408 VanDerWaalsContact CE2-CG2 3.47Å; W175-V408 HydrophobicContact CE3-CG2 3.99Å; W175-V408 HydrophobicContact CG-CG2 4.27Å; W175-V408 HydrophobicContact CH2-CG2 3.93Å; W175-V408 HydrophobicContact CZ2-CG2 3.63Å; W175-V408 HydrophobicContact CZ3-CG2 4.1Å; W175-W409 HydrophobicContact CB-CB 4.41Å; W175-W409 HydrophobicContact CE3-CB 4.27Å; W175-W409 AromaticContact CE3-CE3 3.88Å; W175-W409 HydrophobicContact CE3-CE3 3.88Å; W175-W409 HydrophobicContact CH2-CE3 4.49Å; W175-W409 AromaticContact CZ3-CE3 3.65Å; W175-W409 HydrophobicContact CZ3-CE3 3.65Å; W175-W409 HydrophobicContact CZ3-CZ3 4.07Å; W175-C412 HydrophobicContact CB-CB 3.96Å; W175-C412 HydrophobicContact CG-CB 4.47Å; W175-Y464 AromaticContact CD1-CD1 3.94Å; W175-Y464 PolarHBondContact NE1-O 3.07Å; W175-L467 HydrophobicContact CH2-CD1 3.4Å; W175-L467 HydrophobicContact CH2-CG 3.85Å; W175-L467 HydrophobicContact CZ2-CD1 3.96Å; W175-L467 HydrophobicContact CZ2-CG 4.01Å; W175-L467 HydrophobicContact CZ3-CD1 4.37Å; W175-C484 VanDerWaalsContact CH2-SG 3.53Å
176	I	98	Very high	91.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.6	172.1	-175.7	175	0	0	0	110.9	I64 Q65 V68 V83 F84 G85 P178 L240 L241 W409	I64-I176 HydrophobicContact CG2-CD1 4.05Å; Q65-I176 HydrophobicContact CG-CG2 3.75Å; V68-I176 HydrophobicContact CB-CD1 3.94Å; V68-I176 HydrophobicContact CG1-CD1 4.21Å; V68-I176 HydrophobicContact CG2-CD1 3.73Å; V83-I176 HydrophobicContact CG1-CG2 4.43Å; F84-I176 WeakPolarHBondContact O-CG2 3.39Å; F84-I176 PolarHBondContact O-N 3.47Å; G85-I176 WeakPolarHBondContact CA-O 3.33Å; I176-P178 HydrophobicContact CD1-CB 4.37Å; I176-P178 HydrophobicContact CG1-CB 4.5Å; I176-L240 VanDerWaalsContact CA-O 3.31Å; I176-L240 WeakPolarHBondContact CA-O 3.42Å; I176-L241 HydrophobicContact CB-CD2 3.72Å; I176-L241 HydrophobicContact CD1-CD2 3.7Å; I176-L241 HydrophobicContact CG1-CD2 3.58Å; I176-W409 WeakPolarHBondContact O-CB 3.4Å
177	D	98.1	Very high	92.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.011	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	107.5	154.7	-174.1	-18.5	0	0	0	107	I179 D180 L240 W409	D177-I179 PolarHBondContact O-N 3.37Å; D177-I179 PolarHBondContact OD1-N 3.23Å; D177-D180 PolarHBondContact OD1-N 3.23Å; D177-D180 VanDerWaalsContact OD1-N 3.15Å; D177-D180 WeakPolarHBondContact OD2-CA 3.2Å; D177-D180 WeakPolarHBondContact OD2-CB 3.44Å; D177-L240 HydrophobicContact CB-CB 3.94Å; D177-L240 HydrophobicContact CB-CD1 4.01Å; D177-L240 HydrophobicContact CB-CG 4.15Å; D177-L240 PolarHBondContact N-O 2.75Å; D177-L240 PolarHBondContact O-N 2.78Å; D177-W409 HydrophobicContact CB-CB 4.24Å
178	P	98.1	Very high	91.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-32.4	-170.9	28.6	-35	0	0	0	112.6	D61 I64 Q65 E87 I176 I239	D61-P178 HydrophobicContact CB-CG 3.89Å; D61-P178 VanDerWaalsContact O-CB 3.3Å; D61-P178 WeakPolarHBondContact O-CB 3.36Å; D61-P178 WeakPolarHBondContact O-CG 3.49Å; I64-P178 HydrophobicContact CB-CB 3.91Å; I64-P178 HydrophobicContact CG2-CB 3.65Å; Q65-P178 HydrophobicContact CB-CB 4.41Å; Q65-P178 HydrophobicContact CB-CG 4.49Å; E87-P178 HydrophobicContact CG-CG 4.18Å; I176-P178 HydrophobicContact CD1-CB 4.37Å; I176-P178 HydrophobicContact CG1-CB 4.5Å; P178-I239 WeakPolarHBondContact O-CG1 3.34Å
179	I	97.7	Very high	91	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	89.6	172.6	-52.2	-73.2	0	0	0	108.9	A26 A60 D61 I64 D177 T182 Y185 V237 T238 I239	A26-I179 HydrophobicContact CB-CD1 3.67Å; A60-I179 HydrophobicContact CB-CD1 4.32Å; A60-I179 HydrophobicContact CB-CG1 4.19Å; D61-I179 WeakPolarHBondContact OD1-CB 3.49Å; I64-I179 HydrophobicContact CD1-CD1 3.69Å; I64-I179 HydrophobicContact CD1-CG1 4.24Å; D177-I179 PolarHBondContact O-N 3.37Å; D177-I179 PolarHBondContact OD1-N 3.23Å; I179-T182 PolarHBondContact O-N 3.27Å; I179-T182 PolarHBondContact O-OG1 3.22Å; I179-Y185 HydrophobicContact CG2-CD1 4Å; I179-Y185 HydrophobicContact CG2-CD2 4.36Å; I179-Y185 HydrophobicContact CG2-CG 3.72Å; I179-V237 HydrophobicContact CG2-CG1 3.59Å; I179-T238 CarbonylContact C-O 3.56Å; I179-I239 HydrophobicContact CD1-CD1 4.47Å; I179-I239 HydrophobicContact CD1-CG1 4.41Å
180	D	96.3	Very high	89.9	Confident	9 Å²	9	27.2 Å²	27.2	5%	0.048	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	138.4	168.8	168.9	60.9	0	0	0	109.3	D177 V237 T238 L240 G383 A384 G385 F386	D177-D180 PolarHBondContact OD1-N 3.23Å; D177-D180 VanDerWaalsContact OD1-N 3.15Å; D177-D180 WeakPolarHBondContact OD2-CA 3.2Å; D177-D180 WeakPolarHBondContact OD2-CB 3.44Å; D180-V237 WeakPolarHBondContact O-CA 3.3Å; D180-T238 WeakPolarHBondContact CB-OG1 3.23Å; D180-T238 PolarHBondContact N-O 3.32Å; D180-T238 PolarHBondContact O-N 3.29Å; D180-T238 PolarHBondContact OD2-OG1 3.49Å; D180-L240 HydrophobicContact CB-CD1 3.92Å; D180-L240 HydrophobicContact CB-CG 4.2Å; D180-G383 VanDerWaalsContact OD2-CA 3.3Å; D180-G383 WeakPolarHBondContact OD2-CA 3.27Å; D180-A384 PolarHBondContact OD1-N 3.37Å; D180-A384 PolarHBondContact OD2-N 2.93Å; D180-G385 VanDerWaalsContact CG-N 3.28Å; D180-G385 PolarHBondContact OD1-N 3.07Å; D180-G385 WeakPolarHBondContact OD2-CA 3.14Å; D180-G385 PolarHBondContact OD2-N 2.69Å; D180-F386 PolarHBondContact OD2-N 3.13Å
181	S	92.6	Very high	88.1	Confident	14 Å²	14	27.2 Å²	27.2	10%	0.098	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	47	-168.6	-147.4	0	0	0	0	113.3	A183 D184 Y185 S382 G383	S181-A183 PolarHBondContact O-N 2.98Å; S181-D184 WeakPolarHBondContact O-CA 3.28Å; S181-D184 WeakPolarHBondContact O-CB 3.44Å; S181-D184 PolarHBondContact O-N 3.2Å; S181-D184 WeakPolarHBondContact OG-CB 2.94Å; S181-D184 PolarHBondContact OG-OD2 2.79Å; S181-Y185 PolarHBondContact O-N 2.79Å; S181-S382 WeakPolarHBondContact OG-CB 3.47Å; S181-G383 PolarHBondContact OG-N 3.36Å
182	T	93.7	Very high	86.2	Confident	15 Å²	15	32 Å²	32	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-49.8	-35.1	176	-36.7	0	0	0	0	113.1	V56 T58 D61 I179 Y185 A186	V56-T182 HydrophobicContact CG2-CG2 4.21Å; T58-T182 HydrophobicContact CG2-CG2 3.95Å; D61-T182 WeakPolarHBondContact OD2-CG2 3.02Å; I179-T182 PolarHBondContact O-N 3.27Å; I179-T182 PolarHBondContact O-OG1 3.22Å; T182-Y185 PolarHBondContact O-N 2.79Å; T182-A186 WeakPolarHBondContact O-CB 3.49Å; T182-A186 PolarHBondContact O-N 3.19Å
183	A	89.1	Confident	84	Confident	48 Å²	48	32.8 Å²	32.8	40%	0.397	17%	0.168	S	C	.	.	H	α-helix	trans	-61.6	-43.1	174.7	0	0	0	0	0	112.7	S181 A186 Q187	S181-A183 PolarHBondContact O-N 2.98Å; A183-A186 PolarHBondContact O-N 2.78Å; A183-Q187 WeakPolarHBondContact O-CB 3.38Å; A183-Q187 VanDerWaalsContact O-CG 3.28Å; A183-Q187 WeakPolarHBondContact O-CG 3.19Å; A183-Q187 PolarHBondContact O-N 3.43Å
184	D	88.2	Confident	81.2	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-70.6	-36.4	175.7	-69.4	-16.4	0	0	0	111.2	S181 A186 Q187 G188 G232 L234 N236 V237 S382	S181-D184 WeakPolarHBondContact O-CA 3.28Å; S181-D184 WeakPolarHBondContact O-CB 3.44Å; S181-D184 PolarHBondContact O-N 3.2Å; S181-D184 WeakPolarHBondContact OG-CB 2.94Å; S181-D184 PolarHBondContact OG-OD2 2.79Å; D184-A186 VanDerWaalsContact C-N 3.31Å; D184-A186 PolarHBondContact O-N 2.99Å; D184-Q187 PolarHBondContact O-N 3.13Å; D184-G188 WeakPolarHBondContact O-CA 3.27Å; D184-G188 PolarHBondContact O-N 2.91Å; D184-G232 VanDerWaalsContact OD1-CA 3.3Å; D184-G232 WeakPolarHBondContact OD1-CA 3.41Å; D184-G232 PolarHBondContact OD1-N 3.13Å; D184-L234 WeakPolarHBondContact O-CD2 3.15Å; D184-N236 WeakPolarHBondContact OD2-CB 3.4Å; D184-N236 PolarHBondContact OD2-ND2 3.35Å; D184-V237 HydrophobicContact CB-CG2 4.04Å; D184-S382 PolarHBondContact OD1-OG 3.4Å; D184-S382 VanDerWaalsContact OD1-OG 3.09Å; D184-S382 WeakPolarHBondContact OD2-CB 3.27Å; D184-S382 PolarHBondContact OD2-OG 3.47Å
185	Y	92.1	Very high	78.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-40.1	172.7	-178.2	-114.1	0	0	0	111.6	A26 K30 F36 T58 A60 I179 S181 T182 L234 V237 F260	A26-Y185 HydrophobicContact CB-CE2 4.46Å; A26-Y185 PolarHBondContact O-OH 2.82Å; K30-Y185 HydrophobicContact CB-CE2 3.79Å; K30-Y185 HydrophobicContact CD-CD2 4.27Å; K30-Y185 HydrophobicContact CD-CE2 3.88Å; K30-Y185 WeakPolarHBondContact CE-O 3.44Å; K30-Y185 HydrophobicContact CG-CE2 4.03Å; K30-Y185 PolarHBondContact N-OH 2.88Å; K30-Y185 PolarHBondContact NZ-O 2.8Å; F36-Y185 AromaticContact CE2-CE1 3.76Å; F36-Y185 HydrophobicContact CE2-CE1 3.76Å; F36-Y185 AromaticContact CE2-CZ 3.76Å; F36-Y185 HydrophobicContact CZ-CD1 4.06Å; F36-Y185 AromaticContact CZ-CE1 3.75Å; F36-Y185 HydrophobicContact CZ-CE1 3.75Å; F36-Y185 WeakPolarHBondContact CZ-O 3.45Å; T58-Y185 HydrophobicContact CG2-CD1 3.72Å; T58-Y185 HydrophobicContact CG2-CE1 3.98Å; T58-Y185 WeakPolarHBondContact OG1-CE1 3.48Å; A60-Y185 HydrophobicContact CB-CE1 3.78Å; I179-Y185 HydrophobicContact CG2-CD1 4Å; I179-Y185 HydrophobicContact CG2-CD2 4.36Å; I179-Y185 HydrophobicContact CG2-CG 3.72Å; S181-Y185 PolarHBondContact O-N 2.79Å; T182-Y185 PolarHBondContact O-N 2.79Å; Y185-L234 HydrophobicContact CD2-CD2 4.36Å; Y185-V237 HydrophobicContact CD2-CG1 4.39Å; Y185-F260 AromaticContact CD2-CE2 3.76Å; Y185-F260 HydrophobicContact CD2-CE2 3.76Å; Y185-F260 HydrophobicContact CD2-CZ 4.03Å; Y185-F260 AromaticContact CE2-CE2 3.8Å; Y185-F260 HydrophobicContact CE2-CE2 3.8Å; Y185-F260 AromaticContact CE2-CZ 3.61Å; Y185-F260 HydrophobicContact CE2-CZ 3.61Å
186	A	90.1	Very high	75.3	Confident	6 Å²	6	51.4 Å²	51.4	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-39.9	178.2	0	0	0	0	0	112.6	F36 Q37 V40 T182 A183 D184	F36-A186 WeakPolarHBondContact CE1-O 3.3Å; Q37-A186 PolarHBondContact NE2-O 3.26Å; V40-A186 HydrophobicContact CG1-CB 3.95Å; V40-A186 HydrophobicContact CG2-CB 3.99Å; T182-A186 WeakPolarHBondContact O-CB 3.49Å; T182-A186 PolarHBondContact O-N 3.19Å; A183-A186 PolarHBondContact O-N 2.78Å; D184-A186 VanDerWaalsContact C-N 3.31Å; D184-A186 PolarHBondContact O-N 2.99Å
187	Q	84.9	Confident	72.2	Confident	134 Å²	134	55.5 Å²	55.5	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-94	-26.9	-172.6	-65	175.7	15.6	0	0	114.2	A183 D184	A183-Q187 WeakPolarHBondContact O-CB 3.38Å; A183-Q187 VanDerWaalsContact O-CG 3.28Å; A183-Q187 WeakPolarHBondContact O-CG 3.19Å; A183-Q187 PolarHBondContact O-N 3.43Å; D184-Q187 PolarHBondContact O-N 3.13Å
188	G	73.1	Confident	69.1	Low	2 Å²	2	59 Å²	59	2%	0.021	31%	0.307	C	S	.	.			trans	-66.5	145.3	-171.6	0	0	0	0	0	113.2	K30 D184 G232	K30-G188 WeakPolarHBondContact CE-O 3.34Å; K30-G188 PolarHBondContact NZ-O 3.1Å; D184-G188 WeakPolarHBondContact O-CA 3.27Å; D184-G188 PolarHBondContact O-N 2.91Å; G188-G232 WeakPolarHBondContact CA-O 3.29Å
189	Q	68.9	Low	65.9	Low	122 Å²	122	65.6 Å²	65.6	57%	0.57	34%	0.342	S	S	*	.			trans	-116.4	144.8	174.6	-68.5	179.9	-22	0	0	109.1	D191	Q189-D191 PolarHBondContact O-N 3.24Å
190	F	66.1	Low	62.8	Low	40 Å²	40	72.6 Å²	72.6	18%	0.175	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-61.6	-26.1	176.9	-75.8	-77.2	0	0	0	112.7	K30 R31 K192 F193 L234 F260	K30-F190 HydrophobicContact CB-CE2 4.08Å; K30-F190 HydrophobicContact CB-CZ 4.02Å; K30-F190 HydrophobicContact CG-CD2 4.47Å; K30-F190 HydrophobicContact CG-CE2 3.61Å; K30-F190 HydrophobicContact CG-CZ 3.78Å; R31-F190 HydrophobicContact CG-CE2 4.01Å; R31-F190 HydrophobicContact CG-CZ 4.03Å; F190-K192 VanDerWaalsContact C-N 3.28Å; F190-K192 PolarHBondContact O-N 3.08Å; F190-F193 WeakPolarHBondContact O-CD2 3.41Å; F190-L234 HydrophobicContact CD1-CD1 4.35Å; F190-L234 HydrophobicContact CE1-CD1 4.48Å; F190-F260 AromaticContact CE1-CD1 3.77Å; F190-F260 HydrophobicContact CE1-CD1 3.77Å; F190-F260 AromaticContact CE1-CE1 3.87Å; F190-F260 HydrophobicContact CE1-CE1 3.87Å; F190-F260 HydrophobicContact CZ-CD1 4.25Å; F190-F260 AromaticContact CZ-CE1 3.87Å; F190-F260 HydrophobicContact CZ-CE1 3.87Å
191	D	50.8	Low	59.7	Low	146 Å²	146	76.6 Å²	76.6	78%	0.781	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-82.9	-0.6	-170.7	-56.4	-26.9	0	0	0	114	Q189 F193	Q189-D191 PolarHBondContact O-N 3.24Å; D191-F193 VanDerWaalsContact C-N 3.29Å; D191-F193 PolarHBondContact O-N 3.17Å
192	K	50	Low	56.9	Low	129 Å²	129	81.5 Å²	81.5	56%	0.561	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-85.7	6.3	174.8	-70.4	-170.6	178.5	-179.6	0	114.1	F190	F190-K192 VanDerWaalsContact C-N 3.28Å; F190-K192 PolarHBondContact O-N 3.08Å
193	F	45.1	Very low	54.3	Low	17 Å²	17	85.6 Å²	85.6	8%	0.075	47%	0.473	C	S	.	.			trans	-94.5	19.1	-172.3	-80.3	-81.4	0	0	0	115.8	F190 D191 F195 L234 I235 F260	F190-F193 WeakPolarHBondContact O-CD2 3.41Å; D191-F193 VanDerWaalsContact C-N 3.29Å; D191-F193 PolarHBondContact O-N 3.17Å; F193-F195 VanDerWaalsContact C-N 3.32Å; F193-F195 PolarHBondContact O-N 2.9Å; F193-L234 HydrophobicContact CE2-CB 3.78Å; F193-L234 HydrophobicContact CE2-CD1 4.13Å; F193-L234 HydrophobicContact CE2-CG 4.21Å; F193-L234 HydrophobicContact CZ-CB 3.69Å; F193-I235 HydrophobicContact CE1-CB 4.11Å; F193-I235 HydrophobicContact CZ-CB 4.44Å; F193-F260 HydrophobicContact CZ-CB 4.41Å
194	H	37.4	Very low	52	Low	163 Å²	163	91 Å²	91	76%	0.755	49%	0.494	S	S	*	.			trans	-78.2	82	175.5	-82.1	14.1	0	0	0	112.1	N196	H194-N196 PolarHBondContact O-N 3.46Å
195	F	40.6	Very low	49.7	Very low	97 Å²	97	94.3 Å²	94.3	43%	0.425	51%	0.511	S	S	.	.			trans	-76.7	72	158.8	-70.9	-71.2	0	0	0	109.6	F193 F330	F193-F195 VanDerWaalsContact C-N 3.32Å; F193-F195 PolarHBondContact O-N 2.9Å; F195-F330 HydrophobicContact CD1-CD2 4.47Å; F195-F330 AromaticContact CE1-CD2 3.47Å; F195-F330 HydrophobicContact CE1-CD2 3.47Å; F195-F330 VanDerWaalsContact CE1-CD2 3.47Å; F195-F330 AromaticContact CE1-CE2 3.5Å; F195-F330 HydrophobicContact CE1-CE2 3.5Å; F195-F330 VanDerWaalsContact CE1-CE2 3.5Å; F195-F330 AromaticContact CZ-CD2 3.79Å; F195-F330 HydrophobicContact CZ-CD2 3.79Å; F195-F330 AromaticContact CZ-CE2 3.7Å; F195-F330 HydrophobicContact CZ-CE2 3.7Å
196	N	31.3	Very low	47.5	Very low	132 Å²	132	98.7 Å²	98.7	71%	0.706	54%	0.542	S	S	*	.			trans	-77.6	121.8	155.2	-82	-25.9	0	0	0	106.5	H194	H194-N196 PolarHBondContact O-N 3.46Å
197	P	33.1	Very low	46.1	Very low	86 Å²	86	100.9 Å²	100.9	56%	0.558	57%	0.565	S	S	*	*			trans	-54.4	137.2	168.7	24.9	-31.4	0	0	0	106.8	N199	P197-N199 VanDerWaalsContact C-N 3.29Å; P197-N199 PolarHBondContact O-N 2.66Å
198	P	32.5	Very low	44.5	Very low	75 Å²	75	96.9 Å²	96.9	49%	0.487	55%	0.55	S	S	.	.			trans	-63.8	97.5	-178.4	24.8	-30.6	0	0	0	107.9	T200 I333	P198-T200 PolarHBondContact O-N 3.04Å; P198-I333 HydrophobicContact CG-CG2 4.43Å
199	N	30.7	Very low	43.5	Very low	139 Å²	139	100.2 Å²	100.2	74%	0.743	57%	0.565	S	S	*	*			trans	-54.3	132.7	156.6	-75.9	-24	0	0	0	105.4	P197 S201	P197-N199 VanDerWaalsContact C-N 3.29Å; P197-N199 PolarHBondContact O-N 2.66Å; N199-S201 PolarHBondContact O-N 3.15Å
200	T	32.9	Very low	43	Very low	146 Å²	146	95.5 Å²	95.5	90%	0.896	55%	0.547	S	S	*	.	S	Bend	trans	-62.4	46.7	-168.6	37	0	0	0	0	114.9	P198	P198-T200 PolarHBondContact O-N 3.04Å
201	S	31.3	Very low	42.7	Very low	93 Å²	93	98.6 Å²	98.6	65%	0.65	56%	0.562	S	S	*	*	S	Bend	trans	-155.3	91.5	-179.7	-65.7	0	0	0	0	110.8	N199 T203	N199-S201 PolarHBondContact O-N 3.15Å; S201-T203 PolarHBondContact O-N 2.84Å
202	S	34.3	Very low	42.9	Very low	118 Å²	118	91.9 Å²	91.9	83%	0.825	53%	0.526	S	S	*	.			trans	48.1	48.8	149.6	68.1	0	0	0	0	118.8	I204	S202-I204 PolarHBondContact O-N 3.37Å
203	T	38.1	Very low	43.2	Very low	101 Å²	101	87.4 Å²	87.4	62%	0.62	51%	0.509	S	S	*	.			trans	-74.2	120.2	155.9	30.3	0	0	0	0	108.9	S201 L205	S201-T203 PolarHBondContact O-N 2.84Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact O-N 2.79Å
204	I	40.7	Very low	44	Very low	161 Å²	161	91 Å²	91	83%	0.826	53%	0.529	S	S	*	.			trans	-70.3	94	174.2	-59.2	173	0	0	0	106.7	S202 S206	S202-I204 PolarHBondContact O-N 3.37Å; I204-S206 PolarHBondContact O-N 3.25Å
205	L	40.8	Very low	45.1	Very low	73 Å²	73	85 Å²	85	38%	0.382	50%	0.501	S	S	.	.			trans	-54.4	129.3	170.1	-62.8	160.5	0	0	0	107.7	T203 E209 A210 V213	T203-L205 VanDerWaalsContact C-N 3.34Å; T203-L205 PolarHBondContact O-N 2.79Å; L205-E209 HydrophobicContact CD2-CG 3.73Å; L205-A210 HydrophobicContact CB-CB 4.01Å; L205-V213 HydrophobicContact CD1-CB 4.31Å; L205-V213 HydrophobicContact CD1-CG1 4.34Å; L205-V213 HydrophobicContact CD1-CG2 3.88Å
206	S	45.1	Very low	45.8	Very low	92 Å²	92	80.7 Å²	80.7	64%	0.643	48%	0.483	S	S	*	.			trans	-132.6	147.2	-179.8	71.3	0	0	0	0	111.5	I204	I204-S206 PolarHBondContact O-N 3.25Å
207	G	60.2	Low	47	Very low	53 Å²	53	79.7 Å²	79.7	55%	0.546	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-143.6	-177.7	0	0	0	0	0	113.8	E209 A210 E211	G207-E209 PolarHBondContact O-N 2.87Å; G207-A210 PolarHBondContact O-N 3.08Å; G207-A210 VanDerWaalsContact O-N 3.16Å; G207-E211 PolarHBondContact O-N 3.2Å
208	T	51.9	Low	48.3	Very low	49 Å²	49	80.1 Å²	80.1	30%	0.301	47%	0.471	S	S	.	.	H	α-helix	trans	-57.5	-29.4	-176.3	40.9	0	0	0	0	113.4	E211 N212 Y230	T208-E211 PolarHBondContact O-N 2.62Å; T208-N212 WeakPolarHBondContact O-CB 3.38Å; T208-N212 PolarHBondContact O-N 2.85Å; T208-N212 PolarHBondContact O-ND2 3.38Å; T208-N212 PolarHBondContact O-OD1 3.15Å; T208-Y230 WeakPolarHBondContact OG1-CD1 3.33Å; T208-Y230 WeakPolarHBondContact OG1-CE1 3.43Å
209	E	51	Low	49.3	Very low	73 Å²	73	77 Å²	77	34%	0.341	45%	0.45	S	S	.	.	H	α-helix	trans	-62.6	-46.5	178.2	-155.3	162.2	-79.5	0	0	111.4	L205 G207 N212 V213 Y230	L205-E209 HydrophobicContact CD2-CG 3.73Å; G207-E209 PolarHBondContact O-N 2.87Å; E209-N212 PolarHBondContact O-N 3.44Å; E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 2.96Å; E209-Y230 HydrophobicContact CB-CE1 4.28Å; E209-Y230 WeakPolarHBondContact CB-OH 3.25Å; E209-Y230 WeakPolarHBondContact CG-OH 3.22Å; E209-Y230 PolarHBondContact OE1-OH 3.28Å
210	A	58.4	Low	50.5	Low	22 Å²	22	73.3 Å²	73.3	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-69.4	-37	173.7	0	0	0	0	0	112.1	L205 G207 N212 V213 N214	L205-A210 HydrophobicContact CB-CB 4.01Å; G207-A210 PolarHBondContact O-N 3.08Å; G207-A210 VanDerWaalsContact O-N 3.16Å; A210-N212 VanDerWaalsContact C-N 3.32Å; A210-N212 PolarHBondContact O-N 2.97Å; A210-V213 PolarHBondContact O-N 3.39Å; A210-N214 WeakPolarHBondContact O-CB 3.45Å; A210-N214 PolarHBondContact O-N 3.48Å; A210-N214 PolarHBondContact O-ND2 3.05Å; A210-N214 VanDerWaalsContact O-ND2 3.17Å
211	E	60.7	Low	51.8	Low	106 Å²	106	74.4 Å²	74.4	50%	0.495	42%	0.423	S	S	.	.	H	α-helix	trans	-63.4	-39.1	174.8	-70.4	-175.8	168.4	0	0	112.3	G207 T208 N214 Q215	G207-E211 PolarHBondContact O-N 3.2Å; T208-E211 PolarHBondContact O-N 2.62Å; E211-N214 PolarHBondContact O-N 3.33Å; E211-Q215 WeakPolarHBondContact O-CB 3.43Å; E211-Q215 WeakPolarHBondContact O-CG 3.49Å; E211-Q215 PolarHBondContact O-N 3.16Å
212	N	54.3	Low	53.2	Low	4 Å²	4	74.6 Å²	74.6	2%	0.021	42%	0.416	C	S	.	.	H	α-helix	trans	-65.6	-49.6	176.4	-67.3	-11.7	0	0	0	110.1	T208 E209 A210 N214 Q215 I216 R228	T208-N212 WeakPolarHBondContact O-CB 3.38Å; T208-N212 PolarHBondContact O-N 2.85Å; T208-N212 PolarHBondContact O-ND2 3.38Å; T208-N212 PolarHBondContact O-OD1 3.15Å; E209-N212 PolarHBondContact O-N 3.44Å; A210-N212 VanDerWaalsContact C-N 3.32Å; A210-N212 PolarHBondContact O-N 2.97Å; N212-N214 VanDerWaalsContact C-N 3.26Å; N212-N214 PolarHBondContact O-N 3.17Å; N212-Q215 WeakPolarHBondContact O-CA 3.46Å; N212-Q215 WeakPolarHBondContact O-CB 3.41Å; N212-Q215 PolarHBondContact O-N 3.32Å; N212-I216 WeakPolarHBondContact O-CB 3.44Å; N212-I216 WeakPolarHBondContact O-CD1 3.31Å; N212-I216 VanDerWaalsContact O-CG1 3.31Å; N212-I216 WeakPolarHBondContact O-CG1 3.21Å; N212-I216 PolarHBondContact O-N 3.09Å; N212-R228 PolarHBondContact ND2-O 2.99Å; N212-R228 PolarHBondContact OD1-O 3.22Å
213	V	56.6	Low	54.2	Low	36 Å²	36	71.2 Å²	71.2	22%	0.218	39%	0.391	C	S	.	.	H	α-helix	trans	-58.6	-37.8	174.9	172.3	0	0	0	0	111.8	L205 E209 A210 I216 H217 L334	L205-V213 HydrophobicContact CD1-CB 4.31Å; L205-V213 HydrophobicContact CD1-CG1 4.34Å; L205-V213 HydrophobicContact CD1-CG2 3.88Å; E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 2.96Å; A210-V213 PolarHBondContact O-N 3.39Å; V213-I216 WeakPolarHBondContact O-CB 3.26Å; V213-I216 PolarHBondContact O-N 2.85Å; V213-H217 PolarHBondContact O-CD2 2.59Å; V213-H217 VanDerWaalsContact O-CD2 3.25Å; V213-H217 PolarHBondContact O-N 3.16Å; V213-L334 HydrophobicContact CG2-CD2 4.1Å
214	N	61.2	Low	55.4	Low	93 Å²	93	67.7 Å²	67.7	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-39	173.8	-72.6	-27	0	0	0	112.6	A210 E211 N212 I216 H217 N218	A210-N214 WeakPolarHBondContact O-CB 3.45Å; A210-N214 PolarHBondContact O-N 3.48Å; A210-N214 PolarHBondContact O-ND2 3.05Å; A210-N214 VanDerWaalsContact O-ND2 3.17Å; E211-N214 PolarHBondContact O-N 3.33Å; N212-N214 VanDerWaalsContact C-N 3.26Å; N212-N214 PolarHBondContact O-N 3.17Å; N214-I216 VanDerWaalsContact C-N 3.25Å; N214-I216 PolarHBondContact O-N 2.77Å; N214-H217 PolarHBondContact O-N 2.83Å; N214-N218 PolarHBondContact O-N 3.12Å
215	Q	60.8	Low	56.4	Low	35 Å²	35	60.6 Å²	60.6	16%	0.164	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-34.3	174.5	-81.9	171.6	36.2	0	0	112	E211 N212 N218 F219 L226	E211-Q215 WeakPolarHBondContact O-CB 3.43Å; E211-Q215 WeakPolarHBondContact O-CG 3.49Å; E211-Q215 PolarHBondContact O-N 3.16Å; N212-Q215 WeakPolarHBondContact O-CA 3.46Å; N212-Q215 WeakPolarHBondContact O-CB 3.41Å; N212-Q215 PolarHBondContact O-N 3.32Å; Q215-N218 CarbonylContact O-C 3.47Å; Q215-N218 PolarHBondContact O-N 3.47Å; Q215-F219 WeakPolarHBondContact O-CB 3.38Å; Q215-F219 PolarHBondContact O-N 2.8Å; Q215-L226 WeakPolarHBondContact CB-O 3.31Å; Q215-L226 PolarHBondContact OE1-O 2.83Å
216	I	55.7	Low	57.6	Low	7 Å²	7	57.7 Å²	57.7	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-68.2	-43.6	171.9	-75.2	152.4	0	0	0	111.2	N212 V213 N214 N218 F219 F220 I227 L334	N212-I216 WeakPolarHBondContact O-CB 3.44Å; N212-I216 WeakPolarHBondContact O-CD1 3.31Å; N212-I216 VanDerWaalsContact O-CG1 3.31Å; N212-I216 WeakPolarHBondContact O-CG1 3.21Å; N212-I216 PolarHBondContact O-N 3.09Å; V213-I216 WeakPolarHBondContact O-CB 3.26Å; V213-I216 PolarHBondContact O-N 2.85Å; N214-I216 VanDerWaalsContact C-N 3.25Å; N214-I216 PolarHBondContact O-N 2.77Å; I216-N218 VanDerWaalsContact C-N 3.27Å; I216-N218 PolarHBondContact O-N 3.2Å; I216-F219 WeakPolarHBondContact O-CA 3.31Å; I216-F219 WeakPolarHBondContact O-CB 3.34Å; I216-F219 PolarHBondContact O-N 3.07Å; I216-F220 HydrophobicContact CG2-CD2 4.41Å; I216-F220 HydrophobicContact CG2-CE2 3.72Å; I216-F220 WeakPolarHBondContact O-CD2 3.38Å; I216-F220 WeakPolarHBondContact O-CE2 3.41Å; I216-F220 PolarHBondContact O-N 3.05Å; I216-I227 HydrophobicContact CG1-CD1 4.43Å; I216-I227 HydrophobicContact CG1-CG1 4.35Å; I216-L334 HydrophobicContact CD1-CB 3.22Å; I216-L334 HydrophobicContact CD1-CD1 3.93Å; I216-L334 HydrophobicContact CD1-CD2 3.11Å; I216-L334 HydrophobicContact CD1-CG 3.48Å; I216-L334 VanDerWaalsContact CD1-CG 3.48Å; I216-L334 WeakPolarHBondContact CD1-O 3.33Å; I216-L334 HydrophobicContact CG1-CB 4.15Å; I216-L334 WeakPolarHBondContact CG1-O 3.45Å; I216-L334 WeakPolarHBondContact CG2-O 3.28Å
217	H	57.5	Low	58.6	Low	111 Å²	111	53.3 Å²	53.3	51%	0.514	29%	0.289	S	S	.	.	H	α-helix	trans	-59	-42.8	172.2	-82.4	-59.6	0	0	0	111.4	V213 N214 F219 F220	V213-H217 PolarHBondContact O-CD2 2.59Å; V213-H217 VanDerWaalsContact O-CD2 3.25Å; V213-H217 PolarHBondContact O-N 3.16Å; N214-H217 PolarHBondContact O-N 2.83Å; H217-F219 PolarHBondContact O-N 3.28Å; H217-F220 WeakPolarHBondContact O-CB 3.37Å; H217-F220 PolarHBondContact O-N 3.04Å
218	N	60.2	Low	58.6	Low	96 Å²	96	55.6 Å²	55.6	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-25.1	172.1	-68.2	-17.8	0	0	0	112.7	N214 Q215 I216 F220 E221 N222	N214-N218 PolarHBondContact O-N 3.12Å; Q215-N218 CarbonylContact O-C 3.47Å; Q215-N218 PolarHBondContact O-N 3.47Å; I216-N218 VanDerWaalsContact C-N 3.27Å; I216-N218 PolarHBondContact O-N 3.2Å; N218-F220 VanDerWaalsContact C-N 3.31Å; N218-E221 PolarHBondContact O-N 2.82Å; N218-E221 VanDerWaalsContact O-N 3.17Å; N218-N222 PolarHBondContact O-N 3.04Å
219	F	54	Low	59.1	Low	10 Å²	10	54 Å²	54	4%	0.044	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-40.8	174.3	172.5	-74.4	0	0	0	111.5	Q215 I216 H217 E221 N222 S225 V339 V377	Q215-F219 WeakPolarHBondContact O-CB 3.38Å; Q215-F219 PolarHBondContact O-N 2.8Å; I216-F219 WeakPolarHBondContact O-CA 3.31Å; I216-F219 WeakPolarHBondContact O-CB 3.34Å; I216-F219 PolarHBondContact O-N 3.07Å; H217-F219 PolarHBondContact O-N 3.28Å; F219-E221 PolarHBondContact O-N 3.26Å; F219-N222 CarbonylContact O-C 3.52Å; F219-N222 VanDerWaalsContact O-C 3.32Å; F219-N222 PolarHBondContact O-N 3.39Å; F219-S225 WeakPolarHBondContact CA-OG 3.33Å; F219-S225 WeakPolarHBondContact CB-OG 3.42Å; F219-S225 WeakPolarHBondContact CD2-OG 3.49Å; F219-S225 WeakPolarHBondContact CG-OG 2.97Å; F219-V339 HydrophobicContact CD1-CG2 3.88Å; F219-V339 HydrophobicContact CE1-CB 4.11Å; F219-V339 HydrophobicContact CE1-CG1 3.47Å; F219-V339 VanDerWaalsContact CE1-CG1 3.47Å; F219-V339 HydrophobicContact CE1-CG2 3.42Å; F219-V339 VanDerWaalsContact CE1-CG2 3.42Å; F219-V339 HydrophobicContact CZ-CG1 3.88Å; F219-V339 HydrophobicContact CZ-CG2 4.49Å; F219-V377 HydrophobicContact CD2-CG1 4.12Å; F219-V377 HydrophobicContact CD2-CG2 4.48Å; F219-V377 HydrophobicContact CE2-CB 4.06Å; F219-V377 HydrophobicContact CE2-CG1 3.83Å; F219-V377 HydrophobicContact CE2-CG2 3.42Å; F219-V377 VanDerWaalsContact CE2-CG2 3.42Å; F219-V377 HydrophobicContact CZ-CG2 3.86Å
220	F	54.3	Low	59.5	Low	61 Å²	61	52.1 Å²	52.1	27%	0.268	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-26.2	174.5	-68.4	-75.2	0	0	0	113.8	I216 H217 N218 P336 Q338 V339	I216-F220 HydrophobicContact CG2-CD2 4.41Å; I216-F220 HydrophobicContact CG2-CE2 3.72Å; I216-F220 WeakPolarHBondContact O-CD2 3.38Å; I216-F220 WeakPolarHBondContact O-CE2 3.41Å; I216-F220 PolarHBondContact O-N 3.05Å; H217-F220 WeakPolarHBondContact O-CB 3.37Å; H217-F220 PolarHBondContact O-N 3.04Å; N218-F220 VanDerWaalsContact C-N 3.31Å; F220-P336 HydrophobicContact CE1-CB 4.18Å; F220-P336 HydrophobicContact CE1-CG 4.32Å; F220-P336 HydrophobicContact CE2-CB 4.28Å; F220-P336 HydrophobicContact CE2-CG 3.54Å; F220-P336 HydrophobicContact CZ-CB 3.52Å; F220-P336 HydrophobicContact CZ-CG 3.25Å; F220-Q338 HydrophobicContact CD1-CB 4.36Å; F220-Q338 HydrophobicContact CE1-CB 3.83Å; F220-V339 HydrophobicContact CD1-CG2 3.94Å; F220-V339 HydrophobicContact CE1-CB 4.25Å; F220-V339 HydrophobicContact CE1-CG2 3.1Å; F220-V339 HydrophobicContact CZ-CG2 3.41Å; F220-V339 VanDerWaalsContact CZ-CG2 3.41Å
221	E	60.3	Low	59.6	Low	169 Å²	169	54.7 Å²	54.7	79%	0.79	27%	0.268	S	S	*	.	H	α-helix	trans	-87.9	-22.9	176.5	-62.3	-162.5	166.5	0	0	112.9	N218 F219	N218-E221 PolarHBondContact O-N 2.82Å; N218-E221 VanDerWaalsContact O-N 3.17Å; F219-E221 PolarHBondContact O-N 3.26Å
222	N	60.3	Low	59.7	Low	97 Å²	97	50 Å²	50	52%	0.519	25%	0.248	S	C	.	.			trans	-151.1	109.3	-175.6	-149.7	-23.1	0	0	0	112.4	N218 F219 T224 S225	N218-N222 PolarHBondContact O-N 3.04Å; F219-N222 CarbonylContact O-C 3.52Å; F219-N222 VanDerWaalsContact O-C 3.32Å; F219-N222 PolarHBondContact O-N 3.39Å; N222-T224 PolarHBondContact O-N 3.05Å; N222-S225 WeakPolarHBondContact O-CB 3.4Å; N222-S225 PolarHBondContact O-OG 3.05Å
223	P	56.4	Low	60.8	Low	46 Å²	46	50.6 Å²	50.6	30%	0.299	25%	0.253	S	S	.	.	S	Bend	trans	-72.7	6.9	-168.2	25	-32.8	0	0	0	116.4	N375 V376	P223-N375 HydrophobicContact CB-CB 3.85Å; P223-N375 VanDerWaalsContact CB-CG 3.41Å; P223-N375 WeakPolarHBondContact CB-OD1 3.31Å; P223-V376 CarbonylContact O-C 3.6Å; P223-V376 PolarHBondContact O-N 3.49Å; P223-V376 VanDerWaalsContact O-N 3.08Å
224	T	62.5	Low	62.1	Low	28 Å²	28	48.9 Å²	48.9	17%	0.172	24%	0.242	C	C	.	.	S	Bend	trans	-108.4	44.5	175	59.7	0	0	0	0	112.4	N222 T360 V376	N222-T224 PolarHBondContact O-N 3.05Å; T224-T360 WeakPolarHBondContact O-CG2 2.96Å; T224-V376 WeakPolarHBondContact CA-O 3.48Å
225	S	63.4	Low	63.2	Low	12 Å²	12	46.2 Å²	46.2	8%	0.084	23%	0.228	C	C	.	.			trans	-96.1	150.8	-163.3	10.1	0	0	0	0	111.9	F219 N222 F378	F219-S225 WeakPolarHBondContact CA-OG 3.33Å; F219-S225 WeakPolarHBondContact CB-OG 3.42Å; F219-S225 WeakPolarHBondContact CD2-OG 3.49Å; F219-S225 WeakPolarHBondContact CG-OG 2.97Å; N222-S225 WeakPolarHBondContact O-CB 3.4Å; N222-S225 PolarHBondContact O-OG 3.05Å; S225-F378 PolarHBondContact O-N 2.77Å
226	L	65.8	Low	64.4	Low	11 Å²	11	44.6 Å²	44.6	6%	0.058	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.1	173.2	-166.8	57.9	0	0	0	109.4	Q215 R228 F356 F378	Q215-L226 WeakPolarHBondContact CB-O 3.31Å; Q215-L226 PolarHBondContact OE1-O 2.83Å; L226-R228 HydrophobicContact CD2-CG 3.65Å; L226-R228 HydrophobicContact CG-CG 3.97Å; L226-F356 HydrophobicContact CB-CD1 4.38Å; L226-F356 HydrophobicContact CB-CD2 3.9Å; L226-F356 HydrophobicContact CB-CE1 3.95Å; L226-F356 HydrophobicContact CB-CE2 3.42Å; L226-F356 VanDerWaalsContact CB-CE2 3.42Å; L226-F356 HydrophobicContact CB-CG 4.36Å; L226-F356 HydrophobicContact CB-CZ 3.47Å; L226-F356 VanDerWaalsContact CB-CZ 3.47Å; L226-F356 HydrophobicContact CD1-CB 4.4Å; L226-F356 HydrophobicContact CD1-CD2 3.25Å; L226-F356 HydrophobicContact CD1-CE2 3.61Å; L226-F356 HydrophobicContact CD1-CG 3.85Å; L226-F356 HydrophobicContact CD1-CZ 4.45Å; L226-F356 HydrophobicContact CD2-CB 4.21Å; L226-F356 HydrophobicContact CD2-CD1 3.76Å; L226-F356 HydrophobicContact CD2-CD2 3.9Å; L226-F356 HydrophobicContact CD2-CE1 4.12Å; L226-F356 HydrophobicContact CD2-CE2 4.25Å; L226-F356 HydrophobicContact CD2-CG 3.65Å; L226-F356 HydrophobicContact CD2-CZ 4.37Å; L226-F356 HydrophobicContact CG-CD1 4.48Å; L226-F356 HydrophobicContact CG-CD2 3.86Å; L226-F356 HydrophobicContact CG-CE2 3.93Å; L226-F356 HydrophobicContact CG-CG 4.16Å; L226-F356 HydrophobicContact CG-CZ 4.29Å; L226-F378 CarbonylContact C-O 3.55Å; L226-F378 WeakPolarHBondContact CA-O 3.47Å; L226-F378 HydrophobicContact CD1-CB 3.58Å; L226-F378 WeakPolarHBondContact CD1-O 3.26Å
227	I	64.8	Low	66.2	Low	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.9	160.4	-59.2	174.5	0	0	0	106.4	I216 F229 F331 L334 V377 F378 S380	I216-I227 HydrophobicContact CG1-CD1 4.43Å; I216-I227 HydrophobicContact CG1-CG1 4.35Å; I227-F229 HydrophobicContact CB-CE2 4.45Å; I227-F229 HydrophobicContact CG2-CE2 3.77Å; I227-F229 HydrophobicContact CG2-CZ 4.29Å; I227-F331 HydrophobicContact CD1-CD1 4.3Å; I227-F331 HydrophobicContact CD1-CE1 3.81Å; I227-L334 HydrophobicContact CG2-CD1 4.36Å; I227-V377 HydrophobicContact CD1-CG1 3.67Å; I227-V377 HydrophobicContact CG1-CG1 4.11Å; I227-F378 PolarHBondContact N-O 2.84Å; I227-S380 PolarHBondContact O-N 3.34Å
228	R	61.5	Low	68	Low	102 Å²	102	39 Å²	39	39%	0.385	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	141.4	171.4	-69.6	-175.6	-175.9	-174	-0.3	110	N212 L226 S380	N212-R228 PolarHBondContact ND2-O 2.99Å; N212-R228 PolarHBondContact OD1-O 3.22Å; L226-R228 HydrophobicContact CD2-CG 3.65Å; L226-R228 HydrophobicContact CG-CG 3.97Å; R228-S380 CarbonylContact C-O 3.51Å
229	F	61.5	Low	69.9	Low	15 Å²	15	34.5 Å²	34.5	7%	0.066	17%	0.17	C	C	.	.			trans	-97.6	160.1	167.6	-75.4	-103.9	0	0	0	108.2	I227 H231 F330 F331 L379 S380	I227-F229 HydrophobicContact CB-CE2 4.45Å; I227-F229 HydrophobicContact CG2-CE2 3.77Å; I227-F229 HydrophobicContact CG2-CZ 4.29Å; F229-H231 PolarHBondContact O-N 3.19Å; F229-F330 HydrophobicContact CD1-CD1 4.41Å; F229-F330 AromaticContact CD1-CE1 3.65Å; F229-F330 HydrophobicContact CD1-CE1 3.65Å; F229-F330 AromaticContact CD1-CZ 3.98Å; F229-F330 HydrophobicContact CD1-CZ 3.98Å; F229-F330 AromaticContact CE1-CD1 3.44Å; F229-F330 HydrophobicContact CE1-CD1 3.44Å; F229-F330 VanDerWaalsContact CE1-CD1 3.44Å; F229-F330 AromaticContact CE1-CE1 2.97Å; F229-F330 HydrophobicContact CE1-CE1 2.97Å; F229-F330 AromaticContact CE1-CZ 3.76Å; F229-F330 HydrophobicContact CE1-CZ 3.76Å; F229-F330 AromaticContact CZ-CD1 3.91Å; F229-F330 HydrophobicContact CZ-CD1 3.91Å; F229-F330 AromaticContact CZ-CE1 3.48Å; F229-F330 HydrophobicContact CZ-CE1 3.48Å; F229-F330 VanDerWaalsContact CZ-CE1 3.48Å; F229-F331 AromaticContact CE1-CE2 3.96Å; F229-F331 HydrophobicContact CE1-CE2 3.96Å; F229-F331 HydrophobicContact CE2-CE2 4.09Å; F229-F331 AromaticContact CE2-CZ 3.85Å; F229-F331 HydrophobicContact CE2-CZ 3.85Å; F229-F331 HydrophobicContact CZ-CD2 4.12Å; F229-F331 HydrophobicContact CZ-CE1 4.4Å; F229-F331 AromaticContact CZ-CE2 3.21Å; F229-F331 HydrophobicContact CZ-CE2 3.21Å; F229-F331 AromaticContact CZ-CZ 3.42Å; F229-F331 HydrophobicContact CZ-CZ 3.42Å; F229-F331 VanDerWaalsContact CZ-CZ 3.42Å; F229-L379 HydrophobicContact CD2-CD1 3.8Å; F229-L379 HydrophobicContact CD2-CD2 4.19Å; F229-L379 HydrophobicContact CD2-CG 3.52Å; F229-L379 HydrophobicContact CE1-CD1 4.26Å; F229-L379 HydrophobicContact CE2-CB 4.21Å; F229-L379 HydrophobicContact CE2-CD1 3.26Å; F229-L379 HydrophobicContact CE2-CD2 4.4Å; F229-L379 HydrophobicContact CE2-CG 3.32Å; F229-L379 HydrophobicContact CZ-CD1 3.57Å; F229-L379 HydrophobicContact CZ-CG 4.16Å; F229-S380 PolarHBondContact N-O 2.91Å
230	Y	58.8	Low	72	Confident	33 Å²	33	34 Å²	34	13%	0.129	17%	0.168	C	C	.	.			trans	-57.4	99.4	178.3	-68.6	-103.4	0	0	0	110.2	T208 E209 S233 N236 F330	T208-Y230 WeakPolarHBondContact OG1-CD1 3.33Å; T208-Y230 WeakPolarHBondContact OG1-CE1 3.43Å; E209-Y230 HydrophobicContact CB-CE1 4.28Å; E209-Y230 WeakPolarHBondContact CB-OH 3.25Å; E209-Y230 WeakPolarHBondContact CG-OH 3.22Å; E209-Y230 PolarHBondContact OE1-OH 3.28Å; Y230-S233 VanDerWaalsContact CB-CB 3.46Å; Y230-S233 WeakPolarHBondContact O-CB 3.34Å; Y230-S233 PolarHBondContact O-N 3.49Å; Y230-N236 PolarHBondContact O-ND2 2.8Å; Y230-F330 HydrophobicContact CE2-CE2 4.48Å; Y230-F330 HydrophobicContact CE2-CZ 4.39Å
231	H	61.5	Low	74.1	Confident	77 Å²	77	31.1 Å²	31.1	36%	0.356	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.4	155.3	-69.9	-59.4	0	0	0	107.9	F229 S382	F229-H231 PolarHBondContact O-N 3.19Å; H231-S382 PolarHBondContact CE1-N 3.3Å; H231-S382 PolarHBondContact ND1-OG 3.08Å
232	G	63	Low	75.9	Confident	8 Å²	8	23.1 Å²	23.1	8%	0.082	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	17.4	-171.7	0	0	0	0	0	114.7	D184 G188	D184-G232 VanDerWaalsContact OD1-CA 3.3Å; D184-G232 WeakPolarHBondContact OD1-CA 3.41Å; D184-G232 PolarHBondContact OD1-N 3.13Å; G188-G232 WeakPolarHBondContact CA-O 3.29Å
233	S	76.9	Confident	77.7	Confident	16 Å²	16	18.5 Å²	18.5	11%	0.112	9%	0.093	C	C	.	.			trans	-96.7	133.7	172.1	179.6	0	0	0	0	112	Y230 I235 N236	Y230-S233 VanDerWaalsContact CB-CB 3.46Å; Y230-S233 WeakPolarHBondContact O-CB 3.34Å; Y230-S233 PolarHBondContact O-N 3.49Å; S233-I235 PolarHBondContact O-N 2.68Å; S233-I235 VanDerWaalsContact O-N 3.12Å; S233-I235 WeakPolarHBondContact OG-CG2 3.48Å; S233-I235 PolarHBondContact OG-N 3.32Å; S233-N236 PolarHBondContact O-N 2.99Å; S233-N236 VanDerWaalsContact O-N 3.13Å
234	L	84.7	Confident	79.6	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-66	-13.8	177.7	-55.9	173.5	0	0	0	112.5	K30 D184 Y185 F190 F193 N236 V237 F260	K30-L234 HydrophobicContact CG-CD1 4.35Å; D184-L234 WeakPolarHBondContact O-CD2 3.15Å; Y185-L234 HydrophobicContact CD2-CD2 4.36Å; F190-L234 HydrophobicContact CD1-CD1 4.35Å; F190-L234 HydrophobicContact CE1-CD1 4.48Å; F193-L234 HydrophobicContact CE2-CB 3.78Å; F193-L234 HydrophobicContact CE2-CD1 4.13Å; F193-L234 HydrophobicContact CE2-CG 4.21Å; F193-L234 HydrophobicContact CZ-CB 3.69Å; L234-N236 PolarHBondContact O-N 3.27Å; L234-V237 HydrophobicContact CD2-CG2 4.33Å; L234-V237 WeakPolarHBondContact O-CB 3.35Å; L234-V237 PolarHBondContact O-N 3.04Å; L234-V237 VanDerWaalsContact O-N 3.13Å; L234-F260 HydrophobicContact CB-CB 3.52Å; L234-F260 HydrophobicContact CB-CD1 4.29Å; L234-F260 HydrophobicContact CB-CD2 3.87Å; L234-F260 HydrophobicContact CB-CG 3.63Å; L234-F260 HydrophobicContact CD1-CD1 3.92Å; L234-F260 HydrophobicContact CD1-CE1 4.33Å; L234-F260 HydrophobicContact CD1-CG 4.12Å; L234-F260 HydrophobicContact CG-CG 4.37Å
235	I	83	Confident	81	Confident	37 Å²	37	15.3 Å²	15.3	19%	0.19	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-65.8	-28.5	174.5	-156.6	157.9	0	0	0	111.5	F193 S233 V237 Q258 Y261 F386	F193-I235 HydrophobicContact CE1-CB 4.11Å; F193-I235 HydrophobicContact CZ-CB 4.44Å; S233-I235 PolarHBondContact O-N 2.68Å; S233-I235 VanDerWaalsContact O-N 3.12Å; S233-I235 WeakPolarHBondContact OG-CG2 3.48Å; S233-I235 PolarHBondContact OG-N 3.32Å; I235-V237 PolarHBondContact O-N 3.35Å; I235-Q258 VanDerWaalsContact CG1-NE2 3.32Å; I235-Q258 PolarHBondContact O-NE2 3.29Å; I235-Y261 HydrophobicContact CD1-CD2 4.21Å; I235-F386 HydrophobicContact CG1-CE2 4.42Å; I235-F386 WeakPolarHBondContact O-CD2 3.33Å
236	N	86.6	Confident	82.4	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-76.1	-9.6	178.2	-55.4	-28.6	0	0	0	112.4	D184 Y230 S233 L234 S382 F386	D184-N236 WeakPolarHBondContact OD2-CB 3.4Å; D184-N236 PolarHBondContact OD2-ND2 3.35Å; Y230-N236 PolarHBondContact O-ND2 2.8Å; S233-N236 PolarHBondContact O-N 2.99Å; S233-N236 VanDerWaalsContact O-N 3.13Å; L234-N236 PolarHBondContact O-N 3.27Å; N236-S382 PolarHBondContact ND2-OG 2.97Å; N236-F386 HydrophobicContact CB-CB 4.3Å; N236-F386 HydrophobicContact CB-CD1 4.37Å; N236-F386 HydrophobicContact CB-CG 4.24Å; N236-F386 WeakPolarHBondContact O-CB 3.48Å; N236-F386 WeakPolarHBondContact OD1-CD1 3.19Å; N236-F386 WeakPolarHBondContact OD1-CE1 3.46Å
237	V	92.7	Very high	83.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.			trans	-78.3	125.9	-177.2	178.1	0	0	0	0	109.6	I179 D180 D184 Y185 L234 I235 P259 F260	I179-V237 HydrophobicContact CG2-CG1 3.59Å; D180-V237 WeakPolarHBondContact O-CA 3.3Å; D184-V237 HydrophobicContact CB-CG2 4.04Å; Y185-V237 HydrophobicContact CD2-CG1 4.39Å; L234-V237 HydrophobicContact CD2-CG2 4.33Å; L234-V237 WeakPolarHBondContact O-CB 3.35Å; L234-V237 PolarHBondContact O-N 3.04Å; L234-V237 VanDerWaalsContact O-N 3.13Å; I235-V237 PolarHBondContact O-N 3.35Å; V237-P259 WeakPolarHBondContact O-CD 3.44Å; V237-F260 HydrophobicContact CB-CD2 4.08Å; V237-F260 HydrophobicContact CB-CE2 4.44Å; V237-F260 HydrophobicContact CG1-CD2 4.18Å; V237-F260 HydrophobicContact CG1-CE2 4.08Å
238	T	96.7	Very high	84.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.7	176.1	60.2	0	0	0	0	111.5	I179 D180 L240 I256 N257 Q258 L389	I179-T238 CarbonylContact C-O 3.56Å; D180-T238 WeakPolarHBondContact CB-OG1 3.23Å; D180-T238 PolarHBondContact N-O 3.32Å; D180-T238 PolarHBondContact O-N 3.29Å; D180-T238 PolarHBondContact OD2-OG1 3.49Å; T238-L240 WeakPolarHBondContact OG1-CD2 3.49Å; T238-I256 HydrophobicContact CG2-CG2 3.92Å; T238-N257 CarbonylContact C-O 3.58Å; T238-N257 VanDerWaalsContact CA-O 3.29Å; T238-N257 WeakPolarHBondContact CA-O 3.38Å; T238-Q258 HydrophobicContact CG2-CB 4.41Å; T238-Q258 HydrophobicContact CG2-CG 4.32Å; T238-L389 HydrophobicContact CG2-CD2 4.5Å
239	I	98.6	Very high	86.4	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.7	170.5	-53.7	-175.5	0	0	0	105.9	A22 A23 A26 I64 P178 I179 I256 N257 P259	A22-I239 VanDerWaalsContact C-CD1 3.49Å; A22-I239 HydrophobicContact CB-CD1 3.67Å; A22-I239 HydrophobicContact CB-CG2 4.05Å; A23-I239 HydrophobicContact CB-CD1 4.07Å; A26-I239 HydrophobicContact CB-CD1 4.5Å; I64-I239 HydrophobicContact CD1-CD1 4.38Å; P178-I239 WeakPolarHBondContact O-CG1 3.34Å; I179-I239 HydrophobicContact CD1-CD1 4.47Å; I179-I239 HydrophobicContact CD1-CG1 4.41Å; I239-I256 WeakPolarHBondContact O-CA 3.48Å; I239-N257 HydrophobicContact CB-CB 4.25Å; I239-N257 PolarHBondContact N-O 3.15Å; I239-N257 PolarHBondContact O-N 2.84Å; I239-P259 HydrophobicContact CD1-CG 3.7Å; I239-P259 HydrophobicContact CG1-CG 3.78Å
240	L	98.8	Very high	88	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.7	-171.4	-48.8	176.8	0	0	0	109.8	I176 D177 D180 T238 I256 D410 P414	I176-L240 VanDerWaalsContact CA-O 3.31Å; I176-L240 WeakPolarHBondContact CA-O 3.42Å; D177-L240 HydrophobicContact CB-CB 3.94Å; D177-L240 HydrophobicContact CB-CD1 4.01Å; D177-L240 HydrophobicContact CB-CG 4.15Å; D177-L240 PolarHBondContact N-O 2.75Å; D177-L240 PolarHBondContact O-N 2.78Å; D180-L240 HydrophobicContact CB-CD1 3.92Å; D180-L240 HydrophobicContact CB-CG 4.2Å; T238-L240 WeakPolarHBondContact OG1-CD2 3.49Å; L240-I256 HydrophobicContact CD2-CB 4.32Å; L240-I256 HydrophobicContact CD2-CD1 4.46Å; L240-I256 HydrophobicContact CD2-CG1 3.86Å; L240-I256 HydrophobicContact CD2-CG2 3.99Å; L240-D410 WeakPolarHBondContact CD1-O 3.05Å; L240-P414 HydrophobicContact CD1-CG 4.36Å; L240-P414 HydrophobicContact CD2-CG 3.99Å
241	L	98.7	Very high	89.8	Confident	1 Å²	1	18 Å²	18	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.2	171.6	-67.7	167.9	0	0	0	108.7	L15 C18 V68 V174 I176 G254 V255 G413	L15-L241 HydrophobicContact CB-CD1 4.39Å; L15-L241 HydrophobicContact CD2-CB 4.39Å; L15-L241 HydrophobicContact CD2-CD1 4.26Å; L15-L241 VanDerWaalsContact O-CD1 3.27Å; L15-L241 WeakPolarHBondContact O-CD1 3.25Å; C18-L241 HydrophobicContact CB-CD1 4.13Å; V68-L241 HydrophobicContact CG1-CD2 4.02Å; V174-L241 HydrophobicContact CG1-CD2 4.27Å; I176-L241 HydrophobicContact CB-CD2 3.72Å; I176-L241 HydrophobicContact CD1-CD2 3.7Å; I176-L241 HydrophobicContact CG1-CD2 3.58Å; L241-G254 CarbonylContact O-C 3.55Å; L241-G254 WeakPolarHBondContact O-CA 3.38Å; L241-V255 HydrophobicContact CB-CB 4.27Å; L241-V255 PolarHBondContact N-O 2.91Å; L241-V255 PolarHBondContact O-N 2.99Å; L241-G413 VanDerWaalsContact O-CA 3.28Å; L241-G413 WeakPolarHBondContact O-CA 3.35Å
242	G	98.4	Very high	91.4	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.9	176.5	0	0	0	0	0	111.3	V174 W175 I253 C412	V174-G242 CarbonylContact C-O 3.54Å; V174-G242 WeakPolarHBondContact CA-O 3.17Å; W175-G242 PolarHBondContact N-O 2.97Å; W175-G242 PolarHBondContact O-N 2.93Å; G242-I253 CarbonylContact C-O 3.53Å; G242-I253 WeakPolarHBondContact CA-O 3.39Å; G242-C412 VanDerWaalsContact C-SG 3.58Å
243	L	97.4	Very high	93	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.3	172.9	178.1	151.9	0	0	0	109.9	L11 L15 F172 G173 V174 L252 I253	L11-L243 HydrophobicContact CB-CD1 4.11Å; L11-L243 HydrophobicContact CD1-CD1 3.82Å; L11-L243 HydrophobicContact CD2-CD1 3.93Å; L11-L243 HydrophobicContact CG-CD1 4.18Å; L15-L243 HydrophobicContact CD1-CB 3.86Å; L15-L243 HydrophobicContact CD1-CD1 4.22Å; F172-L243 HydrophobicContact CB-CD1 4.1Å; F172-L243 HydrophobicContact CB-CD2 4.25Å; F172-L243 HydrophobicContact CB-CG 4.13Å; F172-L243 HydrophobicContact CD1-CD2 3.46Å; F172-L243 VanDerWaalsContact CD1-CD2 3.46Å; F172-L243 HydrophobicContact CD1-CG 4.26Å; F172-L243 HydrophobicContact CE1-CD2 4.04Å; F172-L243 HydrophobicContact CG-CD1 4.28Å; F172-L243 HydrophobicContact CG-CD2 4.04Å; F172-L243 HydrophobicContact CG-CG 4.39Å; G173-L243 CarbonylContact O-C 3.59Å; G173-L243 VanDerWaalsContact O-CA 3.24Å; G173-L243 WeakPolarHBondContact O-CA 3.28Å; V174-L243 HydrophobicContact CG2-CB 4.1Å; V174-L243 HydrophobicContact CG2-CD1 4.12Å; V174-L243 HydrophobicContact CG2-CG 4.29Å; L243-L252 HydrophobicContact CD2-CB 3.95Å; L243-L252 HydrophobicContact CD2-CD1 4.21Å; L243-L252 PolarHBondContact O-N 3.09Å; L243-I253 HydrophobicContact CB-CB 4.11Å; L243-I253 HydrophobicContact CD2-CD1 4.33Å; L243-I253 PolarHBondContact N-O 3.09Å; L243-I253 PolarHBondContact O-N 3.17Å; L243-I253 VanDerWaalsContact O-N 3.15Å
244	F	96	Very high	94	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.5	-176.4	69.7	-85.2	0	0	0	112	F84 F172 G173 W175 L250 Y464 N465	F84-F244 HydrophobicContact CD2-CE1 4.24Å; F84-F244 HydrophobicContact CD2-CZ 4.34Å; F84-F244 HydrophobicContact CE2-CE1 4.26Å; F84-F244 AromaticContact CE2-CZ 4Å; F84-F244 HydrophobicContact CE2-CZ 4Å; F172-F244 WeakPolarHBondContact CA-O 3.41Å; G173-F244 PolarHBondContact N-O 2.75Å; G173-F244 WeakPolarHBondContact O-CD1 3.23Å; G173-F244 PolarHBondContact O-N 2.95Å; W175-F244 AromaticContact CD1-CD1 3.52Å; W175-F244 AromaticContact CD1-CE1 3.36Å; W175-F244 HydrophobicContact CG-CE1 4.27Å; W175-F244 AromaticContact NE1-CD1 3.9Å; W175-F244 AromaticContact NE1-CE1 3.35Å; W175-F244 AromaticContact NE1-CZ 3.86Å; F244-L250 VanDerWaalsContact CA-O 3.3Å; F244-L250 WeakPolarHBondContact CA-O 3.33Å; F244-L250 WeakPolarHBondContact CB-O 3.41Å; F244-Y464 HydrophobicContact CB-CG 4.41Å; F244-Y464 WeakPolarHBondContact CE2-O 3.35Å; F244-Y464 WeakPolarHBondContact CZ-O 3.41Å; F244-N465 HydrophobicContact CD2-CB 4.46Å; F244-N465 HydrophobicContact CE2-CB 4.01Å
245	D	93.1	Very high	94.6	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.6	171.1	176.8	-11.8	0	0	0	109.7	S247 T248 G249 L250 L252	D245-S247 VanDerWaalsContact C-N 3.26Å; D245-S247 PolarHBondContact O-N 2.77Å; D245-S247 WeakPolarHBondContact OD1-CB 3.5Å; D245-S247 PolarHBondContact OD1-N 2.81Å; D245-S247 PolarHBondContact OD1-OG 3.27Å; D245-S247 PolarHBondContact OD2-OG 3.13Å; D245-T248 VanDerWaalsContact CB-OG1 3.28Å; D245-T248 WeakPolarHBondContact CB-OG1 3.46Å; D245-T248 PolarHBondContact OD1-N 3.42Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.45Å; D245-T248 PolarHBondContact OD2-OG1 3.02Å; D245-G249 WeakPolarHBondContact O-CA 3.41Å; D245-G249 PolarHBondContact O-N 3.14Å; D245-L250 PolarHBondContact N-O 3.35Å; D245-L252 HydrophobicContact CB-CD1 3.84Å; D245-L252 HydrophobicContact CB-CG 4.21Å
246	C	92.4	Very high	95.3	Very high	22 Å²	22	11.7 Å²	11.7	15%	0.149	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.3	-177.5	-62.6	0	0	0	0	113.2	A171 F172 G173 N465 K468	A171-C246 WeakPolarHBondContact O-CB 3.26Å; A171-C246 PolarHBondContact O-N 3.47Å; A171-C246 PolarHBondContact O-SG 2.95Å; F172-C246 PolarHBondContact O-SG 2.88Å; G173-C246 PolarHBondContact N-SG 3.04Å; G173-C246 VanDerWaalsContact N-SG 3.44Å; C246-N465 VanDerWaalsContact O-CB 3.27Å; C246-N465 WeakPolarHBondContact O-CB 3.35Å; C246-N465 PolarHBondContact O-ND2 3.3Å; C246-K468 HydrophobicContact CB-CD 3.85Å; C246-K468 WeakPolarHBondContact SG-CD 3.46Å; C246-K468 PolarHBondContact SG-NZ 3.33Å
247	S	90.5	Very high	95.8	Very high	95 Å²	95	11.7 Å²	11.7	66%	0.664	7%	0.073	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-46.8	-177.9	71	0	0	0	0	111.7	D245	D245-S247 VanDerWaalsContact C-N 3.26Å; D245-S247 PolarHBondContact O-N 2.77Å; D245-S247 WeakPolarHBondContact OD1-CB 3.5Å; D245-S247 PolarHBondContact OD1-N 2.81Å; D245-S247 PolarHBondContact OD1-OG 3.27Å; D245-S247 PolarHBondContact OD2-OG 3.13Å
248	T	91.6	Very high	95.8	Very high	52 Å²	52	11.7 Å²	11.7	32%	0.319	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-22.1	-176.9	61.8	0	0	0	0	113.1	D245 L250	D245-T248 VanDerWaalsContact CB-OG1 3.28Å; D245-T248 WeakPolarHBondContact CB-OG1 3.46Å; D245-T248 PolarHBondContact OD1-N 3.42Å; D245-T248 WeakPolarHBondContact OD2-CG2 3.45Å; D245-T248 PolarHBondContact OD2-OG1 3.02Å; T248-L250 PolarHBondContact O-N 3.37Å; T248-L250 PolarHBondContact OG1-N 3.13Å
249	G	94.6	Very high	95.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.073	C	C	.	.			trans	73.9	5.3	-170.9	0	0	0	0	0	113.9	D245 Q463 Y464 N465	D245-G249 WeakPolarHBondContact O-CA 3.41Å; D245-G249 PolarHBondContact O-N 3.14Å; G249-Q463 CarbonylContact O-C 3.54Å; G249-Q463 WeakPolarHBondContact O-CA 3.34Å; G249-Y464 WeakPolarHBondContact O-CD2 3.48Å; G249-Y464 PolarHBondContact O-N 3.46Å; G249-N465 VanDerWaalsContact CA-CG 3.44Å
250	L	94.6	Very high	95.1	Very high	58 Å²	58	11.6 Å²	11.6	30%	0.304	7%	0.073	S	C	.	.			trans	-83.9	143.3	-176.4	-65.7	177.1	0	0	0	112	F244 D245 T248 Q461	F244-L250 VanDerWaalsContact CA-O 3.3Å; F244-L250 WeakPolarHBondContact CA-O 3.33Å; F244-L250 WeakPolarHBondContact CB-O 3.41Å; D245-L250 PolarHBondContact N-O 3.35Å; T248-L250 PolarHBondContact O-N 3.37Å; T248-L250 PolarHBondContact OG1-N 3.13Å; L250-Q461 HydrophobicContact CD2-CB 4.48Å
251	P	96.5	Very high	94.3	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.013	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.6	-179.1	38.3	-38.5	0	0	0	110.4	H415 T416 Y464	P251-H415 HydrophobicContact CG-CB 4.27Å; P251-T416 WeakPolarHBondContact CB-OG1 3.29Å; P251-Y464 HydrophobicContact CB-CD2 3.87Å; P251-Y464 HydrophobicContact CB-CE2 3.75Å; P251-Y464 HydrophobicContact CG-CD2 4.08Å; P251-Y464 HydrophobicContact CG-CE2 3.65Å
252	L	94.3	Very high	93.1	Very high	7 Å²	7	14.9 Å²	14.9	4%	0.037	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-41	-169.4	-64.3	179	0	0	0	114	Y166 F172 L243 D245 F288 N289 F290 T416	Y166-L252 HydrophobicContact CD1-CD1 4.37Å; Y166-L252 HydrophobicContact CE1-CD1 3.73Å; F172-L252 HydrophobicContact CD1-CD1 4.04Å; F172-L252 HydrophobicContact CE1-CD1 3.69Å; L243-L252 HydrophobicContact CD2-CB 3.95Å; L243-L252 HydrophobicContact CD2-CD1 4.21Å; L243-L252 PolarHBondContact O-N 3.09Å; D245-L252 HydrophobicContact CB-CD1 3.84Å; D245-L252 HydrophobicContact CB-CG 4.21Å; L252-F288 CarbonylContact O-C 3.5Å; L252-F288 WeakPolarHBondContact O-CA 3.41Å; L252-N289 WeakPolarHBondContact CD2-O 3.41Å; L252-N289 PolarHBondContact O-N 2.7Å; L252-F290 HydrophobicContact CB-CD1 4.45Å; L252-F290 HydrophobicContact CB-CE1 3.92Å; L252-F290 HydrophobicContact CB-CZ 4.18Å; L252-F290 HydrophobicContact CD1-CD1 4.37Å; L252-F290 HydrophobicContact CD1-CE1 3.91Å; L252-F290 HydrophobicContact CD2-CD1 4.18Å; L252-F290 HydrophobicContact CD2-CE1 4.4Å; L252-F290 HydrophobicContact CG-CE1 4.32Å; L252-T416 WeakPolarHBondContact O-CG2 3.18Å
253	I	96.1	Very high	91.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.1	175.3	-67.5	160.5	0	0	0	108.4	C8 L11 L12 L15 G242 L243 F288 F290 T416	C8-I253 WeakPolarHBondContact O-CD1 3.45Å; L11-I253 HydrophobicContact CB-CD1 4.23Å; L12-I253 HydrophobicContact CB-CD1 3.93Å; L12-I253 HydrophobicContact CB-CG1 4.43Å; L12-I253 HydrophobicContact CB-CG2 4.31Å; L12-I253 HydrophobicContact CD1-CG2 3.51Å; L12-I253 HydrophobicContact CG-CG2 4.48Å; L15-I253 HydrophobicContact CD1-CB 4.43Å; L15-I253 HydrophobicContact CD1-CG2 3.81Å; G242-I253 CarbonylContact C-O 3.53Å; G242-I253 WeakPolarHBondContact CA-O 3.39Å; L243-I253 HydrophobicContact CB-CB 4.11Å; L243-I253 HydrophobicContact CD2-CD1 4.33Å; L243-I253 PolarHBondContact N-O 3.09Å; L243-I253 PolarHBondContact O-N 3.17Å; L243-I253 VanDerWaalsContact O-N 3.15Å; I253-F288 HydrophobicContact CG1-CB 4.14Å; I253-F290 HydrophobicContact CD1-CE2 4.3Å; I253-F290 HydrophobicContact CD1-CZ 3.81Å; I253-F290 HydrophobicContact CG1-CE2 3.95Å; I253-F290 HydrophobicContact CG1-CZ 3.75Å; I253-T416 PolarHBondContact O-OG1 3.43Å
254	G	98	Very high	89.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.4	175.2	0	0	0	0	0	111.8	L241 W286 G287 G413	L241-G254 CarbonylContact O-C 3.55Å; L241-G254 WeakPolarHBondContact O-CA 3.38Å; G254-W286 CarbonylContact O-C 3.54Å; G254-W286 WeakPolarHBondContact O-CA 3.46Å; G254-G287 PolarHBondContact N-O 3.27Å; G254-G287 PolarHBondContact O-N 3.09Å; G254-G413 WeakPolarHBondContact CA-O 3.34Å
255	V	98.4	Very high	87.3	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.3	172.9	-174	0	0	0	0	108.8	L15 I16 L241 I284 F285 W286	L15-V255 HydrophobicContact CB-CG2 3.9Å; I16-V255 HydrophobicContact CG1-CG1 4.32Å; I16-V255 HydrophobicContact CG1-CG2 3.92Å; L241-V255 HydrophobicContact CB-CB 4.27Å; L241-V255 PolarHBondContact N-O 2.91Å; L241-V255 PolarHBondContact O-N 2.99Å; V255-I284 HydrophobicContact CG1-CG2 3.84Å; V255-F285 CarbonylContact C-O 3.59Å; V255-F285 WeakPolarHBondContact CA-O 3.36Å; V255-W286 HydrophobicContact CG2-CB 4.27Å
256	I	98.2	Very high	84.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.7	168.3	-57.8	176.6	0	0	0	106.8	T238 I239 L240 I284 F285 L389 I392 P414 I417	T238-I256 HydrophobicContact CG2-CG2 3.92Å; I239-I256 WeakPolarHBondContact O-CA 3.48Å; L240-I256 HydrophobicContact CD2-CB 4.32Å; L240-I256 HydrophobicContact CD2-CD1 4.46Å; L240-I256 HydrophobicContact CD2-CG1 3.86Å; L240-I256 HydrophobicContact CD2-CG2 3.99Å; I256-I284 WeakPolarHBondContact O-CA 3.45Å; I256-F285 HydrophobicContact CB-CB 4.32Å; I256-F285 PolarHBondContact N-O 2.95Å; I256-F285 PolarHBondContact O-N 3.09Å; I256-L389 HydrophobicContact CD1-CB 4.47Å; I256-L389 HydrophobicContact CD1-CD1 4.38Å; I256-I392 HydrophobicContact CD1-CD1 3.44Å; I256-I392 VanDerWaalsContact CD1-CD1 3.44Å; I256-P414 HydrophobicContact CD1-CB 3.93Å; I256-P414 HydrophobicContact CD1-CG 3.77Å; I256-P414 HydrophobicContact CG1-CG 4.15Å; I256-I417 HydrophobicContact CB-CD1 4.41Å; I256-I417 HydrophobicContact CD1-CD1 3.95Å; I256-I417 HydrophobicContact CG1-CD1 3.78Å
257	N	96.9	Very high	82.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.6	166.2	-168.9	-44.5	0	0	0	108.4	S19 E20 A23 T238 I239 P259 I284	S19-N257 PolarHBondContact O-ND2 3.5Å; E20-N257 WeakPolarHBondContact CA-ND2 3.02Å; E20-N257 PolarHBondContact OE2-ND2 2.84Å; A23-N257 WeakPolarHBondContact CB-OD1 3.1Å; T238-N257 CarbonylContact C-O 3.58Å; T238-N257 VanDerWaalsContact CA-O 3.29Å; T238-N257 WeakPolarHBondContact CA-O 3.38Å; I239-N257 HydrophobicContact CB-CB 4.25Å; I239-N257 PolarHBondContact N-O 3.15Å; I239-N257 PolarHBondContact O-N 2.84Å; N257-P259 WeakPolarHBondContact O-CD 3.47Å; N257-I284 HydrophobicContact CB-CG1 4.27Å; N257-I284 VanDerWaalsContact ND2-CG1 3.32Å; N257-I284 WeakPolarHBondContact ND2-CG1 3.4Å
258	Q	93.2	Very high	79.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	94.5	172.9	-168.8	-179.2	28.1	0	0	107.9	I235 T238 F260 G282 R283	I235-Q258 VanDerWaalsContact CG1-NE2 3.32Å; I235-Q258 PolarHBondContact O-NE2 3.29Å; T238-Q258 HydrophobicContact CG2-CB 4.41Å; T238-Q258 HydrophobicContact CG2-CG 4.32Å; Q258-F260 VanDerWaalsContact C-N 3.25Å; Q258-F260 PolarHBondContact O-N 3.3Å; Q258-G282 VanDerWaalsContact O-CA 3.31Å; Q258-G282 WeakPolarHBondContact O-CA 3.45Å; Q258-R283 HydrophobicContact CB-CG 4.16Å; Q258-R283 PolarHBondContact N-O 2.95Å; Q258-R283 PolarHBondContact O-N 3.42Å
259	P	92.8	Very high	76.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-26.9	-164.5	-23.5	34.9	0	0	0	114	A23 R27 V237 I239 N257	A23-P259 HydrophobicContact CB-CB 3.84Å; A23-P259 HydrophobicContact CB-CG 3.9Å; R27-P259 WeakPolarHBondContact CD-O 3.2Å; R27-P259 HydrophobicContact CG-CB 4.29Å; R27-P259 PolarHBondContact NH1-O 3.3Å; R27-P259 VanDerWaalsContact NH1-O 3.17Å; V237-P259 WeakPolarHBondContact O-CD 3.44Å; I239-P259 HydrophobicContact CD1-CG 3.7Å; I239-P259 HydrophobicContact CG1-CG 3.78Å; N257-P259 WeakPolarHBondContact O-CD 3.47Å
260	F	87.1	Confident	74	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	44.6	-171.9	-53	-78.7	0	0	0	112	A26 R27 K30 Y185 F190 F193 L234 V237 Q258	A26-F260 HydrophobicContact CB-CZ 4.4Å; R27-F260 HydrophobicContact CB-CE1 4.34Å; R27-F260 HydrophobicContact CG-CD1 4.2Å; R27-F260 HydrophobicContact CG-CE1 3.68Å; R27-F260 HydrophobicContact CG-CZ 4.11Å; K30-F260 HydrophobicContact CB-CE1 4.11Å; K30-F260 HydrophobicContact CB-CZ 4.08Å; K30-F260 HydrophobicContact CG-CE1 4.1Å; K30-F260 HydrophobicContact CG-CZ 4.23Å; Y185-F260 AromaticContact CD2-CE2 3.76Å; Y185-F260 HydrophobicContact CD2-CE2 3.76Å; Y185-F260 HydrophobicContact CD2-CZ 4.03Å; Y185-F260 AromaticContact CE2-CE2 3.8Å; Y185-F260 HydrophobicContact CE2-CE2 3.8Å; Y185-F260 AromaticContact CE2-CZ 3.61Å; Y185-F260 HydrophobicContact CE2-CZ 3.61Å; F190-F260 AromaticContact CE1-CD1 3.77Å; F190-F260 HydrophobicContact CE1-CD1 3.77Å; F190-F260 AromaticContact CE1-CE1 3.87Å; F190-F260 HydrophobicContact CE1-CE1 3.87Å; F190-F260 HydrophobicContact CZ-CD1 4.25Å; F190-F260 AromaticContact CZ-CE1 3.87Å; F190-F260 HydrophobicContact CZ-CE1 3.87Å; F193-F260 HydrophobicContact CZ-CB 4.41Å; L234-F260 HydrophobicContact CB-CB 3.52Å; L234-F260 HydrophobicContact CB-CD1 4.29Å; L234-F260 HydrophobicContact CB-CD2 3.87Å; L234-F260 HydrophobicContact CB-CG 3.63Å; L234-F260 HydrophobicContact CD1-CD1 3.92Å; L234-F260 HydrophobicContact CD1-CE1 4.33Å; L234-F260 HydrophobicContact CD1-CG 4.12Å; L234-F260 HydrophobicContact CG-CG 4.37Å; V237-F260 HydrophobicContact CB-CD2 4.08Å; V237-F260 HydrophobicContact CB-CE2 4.44Å; V237-F260 HydrophobicContact CG1-CD2 4.18Å; V237-F260 HydrophobicContact CG1-CE2 4.08Å; Q258-F260 VanDerWaalsContact C-N 3.25Å; Q258-F260 PolarHBondContact O-N 3.3Å
261	Y	81.1	Confident	71.2	Confident	19 Å²	19	56 Å²	56	8%	0.075	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.1	171.5	-177.4	-96.2	0	0	0	110	I235 Y281 G282 R283 D328	I235-Y261 HydrophobicContact CD1-CD2 4.21Å; Y261-Y281 CarbonylContact O-C 3.56Å; Y261-Y281 VanDerWaalsContact O-CA 3.26Å; Y261-Y281 WeakPolarHBondContact O-CA 3.42Å; Y261-G282 PolarHBondContact O-N 2.88Å; Y261-R283 HydrophobicContact CD1-CB 4.06Å; Y261-R283 HydrophobicContact CD1-CG 3.79Å; Y261-R283 HydrophobicContact CE1-CG 4.44Å; Y261-R283 HydrophobicContact CG-CG 3.81Å; Y261-D328 PolarHBondContact OH-OD2 2.83Å
262	L	73.9	Confident	68.4	Low	51 Å²	51	63.6 Å²	63.6	27%	0.267	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.4	179.8	-176.5	71.4	0	0	0	110.2	N264 Y281	L262-N264 WeakPolarHBondContact CD2-OD1 3.41Å; L262-N264 PolarHBondContact O-N 3.33Å; L262-Y281 HydrophobicContact CB-CD1 4.5Å; L262-Y281 HydrophobicContact CB-CE1 4.09Å; L262-Y281 HydrophobicContact CD1-CD1 4.42Å; L262-Y281 HydrophobicContact CD1-CE1 3.86Å; L262-Y281 HydrophobicContact CD1-CE2 3.94Å
263	N	65.5	Low	65.6	Low	23 Å²	23	68.5 Å²	68.5	12%	0.123	37%	0.368	C	S	.	.			trans	-85.9	112.5	173.6	-65.9	-74.2	0	0	0	110.7	F142 N265 N280 G282	F142-N263 HydrophobicContact CE1-CB 3.67Å; F142-N263 WeakPolarHBondContact CE1-ND2 3.36Å; F142-N263 HydrophobicContact CZ-CB 4.15Å; N263-N265 VanDerWaalsContact C-N 3.28Å; N263-N265 PolarHBondContact O-N 2.85Å; N263-N280 HydrophobicContact CB-CB 4.39Å; N263-N280 WeakPolarHBondContact CB-O 3.41Å; N263-N280 PolarHBondContact N-O 3.4Å; N263-N280 PolarHBondContact ND2-O 2.81Å; N263-N280 PolarHBondContact O-ND2 2.88Å; N263-G282 PolarHBondContact ND2-O 3.3Å
264	N	54.5	Low	62.9	Low	96 Å²	96	71.9 Å²	71.9	51%	0.513	40%	0.403	S	S	.	.			trans	-80.5	2.5	-179.7	-76.2	-14.5	0	0	0	114.6	L262 N266	L262-N264 WeakPolarHBondContact CD2-OD1 3.41Å; L262-N264 PolarHBondContact O-N 3.33Å; N264-N266 PolarHBondContact O-N 3.5Å
265	N	49.2	Very low	60.1	Low	133 Å²	133	78.4 Å²	78.4	71%	0.711	44%	0.437	S	S	*	.			trans	-69.6	6.4	-171	-79	-15.1	0	0	0	116.3	N263 N267	N263-N265 VanDerWaalsContact C-N 3.28Å; N263-N265 PolarHBondContact O-N 2.85Å; N265-N267 VanDerWaalsContact C-N 3.32Å; N265-N267 PolarHBondContact O-N 3.08Å; N265-N267 VanDerWaalsContact O-N 3.08Å
266	N	42.6	Very low	57.3	Low	102 Å²	102	82.7 Å²	82.7	55%	0.545	46%	0.46	S	S	.	.			trans	-86.1	74.7	173.3	-72.5	-2.8	0	0	0	111	N264 N268 N280	N264-N266 PolarHBondContact O-N 3.5Å; N266-N268 PolarHBondContact O-N 3.47Å; N266-N280 PolarHBondContact ND2-ND2 2.95Å; N266-N280 PolarHBondContact ND2-OD1 3.37Å
267	N	35.9	Very low	54.9	Low	151 Å²	151	85 Å²	85	81%	0.807	48%	0.476	S	S	*	.			trans	-71.3	27.6	168.7	-86.8	-20.4	0	0	0	114	N265	N265-N267 VanDerWaalsContact C-N 3.32Å; N265-N267 PolarHBondContact O-N 3.08Å; N265-N267 VanDerWaalsContact O-N 3.08Å
268	N	36.2	Very low	52.7	Low	133 Å²	133	88.7 Å²	88.7	71%	0.711	49%	0.492	S	S	*	.	S	Bend	trans	-136.2	97	179.1	-75.7	-29.6	0	0	0	112	N266 T270	N266-N268 PolarHBondContact O-N 3.47Å; N268-T270 PolarHBondContact O-N 2.95Å
269	D	34.9	Very low	50.8	Low	172 Å²	172	96 Å²	96	92%	0.92	52%	0.521	S	S	*	.	S	Bend		41.7	21.8	129.7	-78.8	-13.5	0	0	0	123.2
270	T	34.6	Very low	49.3	Very low	122 Å²	122	97 Å²	97	75%	0.748	53%	0.526	S	S	*	.			trans	-132.5	40.9	173.3	53.1	0	0	0	0	115.5	N268 N272	N268-T270 PolarHBondContact O-N 2.95Å; T270-N272 PolarHBondContact O-N 3.29Å
271	L	36.5	Very low	48.8	Very low	164 Å²	164	98.1 Å²	98.1	86%	0.859	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	26.1	174.2	-102.9	157.1	0	0	0	115.3
272	N	35.9	Very low	49.1	Very low	162 Å²	162	97.2 Å²	97.2	87%	0.866	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	1.1	179	-93.1	-6.3	0	0	0	115.8	T270	T270-N272 PolarHBondContact O-N 3.29Å
273	D	35.6	Very low	49.9	Very low	110 Å²	110	96.4 Å²	96.4	59%	0.588	52%	0.52	S	S	*	.			trans	-120.5	108.4	169.8	-83.2	-32.2	0	0	0	110.4	I275 N276	D273-I275 PolarHBondContact O-N 3.34Å; D273-N276 PolarHBondContact O-N 3.08Å
274	G	39.2	Very low	51.3	Low	71 Å²	71	95.5 Å²	95.5	73%	0.732	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	5	176.9	0	0	0	0	0	115.5
275	I	41.1	Very low	53.2	Low	138 Å²	138	91.6 Å²	91.6	71%	0.708	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-25.6	178.1	-59.4	174.6	0	0	0	111.2	D273	D273-I275 PolarHBondContact O-N 3.34Å
276	N	39	Very low	55.4	Low	90 Å²	90	85.3 Å²	85.3	48%	0.481	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-92.7	-5.3	-172.4	-83	-20.5	0	0	0	116	D273 F278	D273-N276 PolarHBondContact O-N 3.08Å; N276-F278 PolarHBondContact O-N 2.88Å; N276-F278 VanDerWaalsContact O-N 3.15Å
277	S	48.5	Very low	57.8	Low	49 Å²	49	80.4 Å²	80.4	34%	0.343	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-62.8	-20.2	176	163	0	0	0	0	113.3
278	F	49.3	Very low	60.5	Low	76 Å²	76	73.2 Å²	73.2	33%	0.333	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-92.5	-12	-165.1	-65	-83.6	0	0	0	115.9	N276 N280 Y281	N276-F278 PolarHBondContact O-N 2.88Å; N276-F278 VanDerWaalsContact O-N 3.15Å; F278-N280 PolarHBondContact O-N 2.86Å; F278-Y281 HydrophobicContact CD1-CD2 4.02Å; F278-Y281 AromaticContact CD1-CE2 3.71Å; F278-Y281 HydrophobicContact CD1-CE2 3.71Å; F278-Y281 HydrophobicContact CE1-CE2 4.24Å; F278-Y281 HydrophobicContact CG-CE2 4.49Å
279	Y	53.7	Low	63	Low	153 Å²	153	68.1 Å²	68.1	60%	0.6	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-67.8	-12	169.5	-72.1	-77.8	0	0	0	112.5	F142	F142-Y279 WeakPolarHBondContact CB-O 3.47Å
280	N	62	Low	65.4	Low	22 Å²	22	60 Å²	60	12%	0.118	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-93.7	3.9	-175.9	-68.3	2.5	0	0	0	113.9	N263 N266 F278	N263-N280 HydrophobicContact CB-CB 4.39Å; N263-N280 WeakPolarHBondContact CB-O 3.41Å; N263-N280 PolarHBondContact N-O 3.4Å; N263-N280 PolarHBondContact ND2-O 2.81Å; N263-N280 PolarHBondContact O-ND2 2.88Å; N266-N280 PolarHBondContact ND2-ND2 2.95Å; N266-N280 PolarHBondContact ND2-OD1 3.37Å; F278-N280 PolarHBondContact O-N 2.86Å
281	Y	76.6	Confident	67.3	Low	23 Å²	23	58.3 Å²	58.3	9%	0.09	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.4	178.9	-74.2	-86	0	0	0	112.4	R27 Y261 L262 F278	R27-Y281 PolarHBondContact NH1-O 2.94Å; Y261-Y281 CarbonylContact O-C 3.56Å; Y261-Y281 VanDerWaalsContact O-CA 3.26Å; Y261-Y281 WeakPolarHBondContact O-CA 3.42Å; L262-Y281 HydrophobicContact CB-CD1 4.5Å; L262-Y281 HydrophobicContact CB-CE1 4.09Å; L262-Y281 HydrophobicContact CD1-CD1 4.42Å; L262-Y281 HydrophobicContact CD1-CE1 3.86Å; L262-Y281 HydrophobicContact CD1-CE2 3.94Å; F278-Y281 HydrophobicContact CD1-CD2 4.02Å; F278-Y281 AromaticContact CD1-CE2 3.71Å; F278-Y281 HydrophobicContact CD1-CE2 3.71Å; F278-Y281 HydrophobicContact CE1-CE2 4.24Å; F278-Y281 HydrophobicContact CG-CE2 4.49Å
282	G	87	Confident	68.5	Low	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.7	146	172.4	0	0	0	0	0	112.7	Q258 Y261 N263	Q258-G282 VanDerWaalsContact O-CA 3.31Å; Q258-G282 WeakPolarHBondContact O-CA 3.45Å; Y261-G282 PolarHBondContact O-N 2.88Å; N263-G282 PolarHBondContact ND2-O 3.3Å
283	R	90.6	Very high	69.4	Low	34 Å²	34	48.3 Å²	48.3	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.2	164	63.4	176.4	-179.4	179.6	4.9	109.9	Q258 Y261 F285	Q258-R283 HydrophobicContact CB-CG 4.16Å; Q258-R283 PolarHBondContact N-O 2.95Å; Q258-R283 PolarHBondContact O-N 3.42Å; Y261-R283 HydrophobicContact CD1-CB 4.06Å; Y261-R283 HydrophobicContact CD1-CG 3.79Å; Y261-R283 HydrophobicContact CE1-CG 4.44Å; Y261-R283 HydrophobicContact CG-CG 3.81Å; R283-F285 HydrophobicContact CG-CE2 3.71Å; R283-F285 HydrophobicContact CG-CZ 4.11Å
284	I	93.7	Very high	70.3	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132	-175.5	-60.9	173.2	0	0	0	109.4	I16 E20 P143 V144 I147 V255 I256 N257 N304	I16-I284 HydrophobicContact CG2-CD1 4.33Å; I16-I284 HydrophobicContact CG2-CG2 4.49Å; E20-I284 HydrophobicContact CB-CD1 4.11Å; P143-I284 HydrophobicContact CB-CD1 4.03Å; P143-I284 HydrophobicContact CB-CG1 4.05Å; V144-I284 HydrophobicContact CG2-CD1 3.55Å; I147-I284 HydrophobicContact CD1-CB 3.79Å; I147-I284 HydrophobicContact CD1-CD1 4.44Å; I147-I284 HydrophobicContact CD1-CG2 3.65Å; V255-I284 HydrophobicContact CG1-CG2 3.84Å; I256-I284 WeakPolarHBondContact O-CA 3.45Å; N257-I284 HydrophobicContact CB-CG1 4.27Å; N257-I284 VanDerWaalsContact ND2-CG1 3.32Å; N257-I284 WeakPolarHBondContact ND2-CG1 3.4Å; I284-N304 PolarHBondContact O-ND2 3.06Å
285	F	94.6	Very high	70.7	Confident	15 Å²	15	50 Å²	50	7%	0.066	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.4	168.9	-56.1	-86.2	0	0	0	108.6	V255 I256 R283 N304 N305 L389 L393 I417	V255-F285 CarbonylContact C-O 3.59Å; V255-F285 WeakPolarHBondContact CA-O 3.36Å; I256-F285 HydrophobicContact CB-CB 4.32Å; I256-F285 PolarHBondContact N-O 2.95Å; I256-F285 PolarHBondContact O-N 3.09Å; R283-F285 HydrophobicContact CG-CE2 3.71Å; R283-F285 HydrophobicContact CG-CZ 4.11Å; F285-N304 WeakPolarHBondContact CA-OD1 3.28Å; F285-N305 HydrophobicContact CD1-CB 4.17Å; F285-L389 HydrophobicContact CD1-CD1 4.3Å; F285-L389 HydrophobicContact CD2-CD1 3.47Å; F285-L389 VanDerWaalsContact CD2-CD1 3.47Å; F285-L389 HydrophobicContact CD2-CD2 4.34Å; F285-L389 HydrophobicContact CE1-CD1 4.36Å; F285-L389 HydrophobicContact CE2-CD1 3.54Å; F285-L389 HydrophobicContact CE2-CD2 3.94Å; F285-L389 HydrophobicContact CE2-CG 4.34Å; F285-L389 HydrophobicContact CG-CD1 3.86Å; F285-L389 HydrophobicContact CZ-CD1 3.99Å; F285-L393 HydrophobicContact CD1-CD2 4.48Å; F285-L393 HydrophobicContact CE1-CD2 3.56Å; F285-L393 HydrophobicContact CE1-CG 4.41Å; F285-L393 HydrophobicContact CZ-CD1 4.35Å; F285-L393 HydrophobicContact CZ-CD2 3.84Å; F285-L393 HydrophobicContact CZ-CG 4.43Å; F285-I417 HydrophobicContact CB-CD1 4.06Å
286	W	95.5	Very high	71.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159	175.3	62.9	-94.8	0	0	0	110.6	L12 I16 N150 L151 S154 G254 V255 F288 S303 N304	L12-W286 HydrophobicContact CD1-CB 4.37Å; L12-W286 HydrophobicContact CD1-CE3 4.26Å; L12-W286 HydrophobicContact CD2-CE3 4.2Å; L12-W286 HydrophobicContact CD2-CZ3 4.42Å; I16-W286 HydrophobicContact CD1-CB 4.04Å; I16-W286 HydrophobicContact CD1-CD2 4.35Å; I16-W286 HydrophobicContact CD1-CG 3.75Å; I16-W286 HydrophobicContact CG1-CB 4.25Å; I16-W286 HydrophobicContact CG1-CG 4.43Å; N150-W286 WeakPolarHBondContact OD1-CZ2 3.42Å; L151-W286 HydrophobicContact CB-CZ2 4.03Å; L151-W286 HydrophobicContact CD1-CD2 4.1Å; L151-W286 HydrophobicContact CD1-CE3 4.32Å; L151-W286 HydrophobicContact CD1-CH2 4.28Å; L151-W286 HydrophobicContact CD1-CZ2 3.96Å; L151-W286 HydrophobicContact CD1-CZ3 4.43Å; S154-W286 VanDerWaalsContact CB-CH2 3.48Å; S154-W286 WeakPolarHBondContact OG-CH2 3.32Å; G254-W286 CarbonylContact O-C 3.54Å; G254-W286 WeakPolarHBondContact O-CA 3.46Å; V255-W286 HydrophobicContact CG2-CB 4.27Å; W286-F288 HydrophobicContact CE3-CD1 4.21Å; W286-F288 HydrophobicContact CH2-CE1 4.34Å; W286-F288 AromaticContact CZ3-CD1 3.65Å; W286-F288 HydrophobicContact CZ3-CD1 3.65Å; W286-F288 AromaticContact CZ3-CE1 3.7Å; W286-F288 HydrophobicContact CZ3-CE1 3.7Å; W286-S303 WeakPolarHBondContact O-CA 3.49Å; W286-S303 VanDerWaalsContact O-CB 3.26Å; W286-S303 WeakPolarHBondContact O-CB 3.48Å; W286-S303 PolarHBondContact O-OG 3.26Å; W286-N304 HydrophobicContact CD2-CB 4.38Å; W286-N304 HydrophobicContact CZ2-CB 3.88Å; W286-N304 PolarHBondContact N-OD1 3.04Å; W286-N304 PolarHBondContact O-N 3.23Å; W286-N304 PolarHBondContact O-OD1 2.87Å
287	G	93.3	Very high	71.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	153.2	174.5	0	0	0	0	0	111	G254 S302 T416	G254-G287 PolarHBondContact N-O 3.27Å; G254-G287 PolarHBondContact O-N 3.09Å; G287-S302 CarbonylContact C-O 3.6Å; G287-S302 WeakPolarHBondContact CA-O 3.42Å; G287-T416 WeakPolarHBondContact O-CG2 3.44Å
288	F	92.7	Very high	71.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.5	170.3	62.4	-103.5	0	0	0	110.9	L12 L158 L252 I253 W286 F290 T300 R301 S302 S420	L12-F288 HydrophobicContact CD2-CD1 3.67Å; L12-F288 HydrophobicContact CD2-CE1 4.25Å; L158-F288 HydrophobicContact CD1-CD1 3.98Å; L158-F288 HydrophobicContact CD1-CD2 4.18Å; L158-F288 HydrophobicContact CD1-CE1 3.77Å; L158-F288 HydrophobicContact CD1-CE2 4.01Å; L158-F288 HydrophobicContact CD1-CG 4.16Å; L158-F288 HydrophobicContact CD1-CZ 3.79Å; L158-F288 HydrophobicContact CD2-CD2 3.82Å; L158-F288 HydrophobicContact CD2-CE2 3.6Å; L158-F288 HydrophobicContact CD2-CZ 4.13Å; L158-F288 HydrophobicContact CG-CD2 4.29Å; L158-F288 HydrophobicContact CG-CE1 4.28Å; L158-F288 HydrophobicContact CG-CE2 3.8Å; L158-F288 HydrophobicContact CG-CZ 3.77Å; L252-F288 CarbonylContact O-C 3.5Å; L252-F288 WeakPolarHBondContact O-CA 3.41Å; I253-F288 HydrophobicContact CG1-CB 4.14Å; W286-F288 HydrophobicContact CE3-CD1 4.21Å; W286-F288 HydrophobicContact CH2-CE1 4.34Å; W286-F288 AromaticContact CZ3-CD1 3.65Å; W286-F288 HydrophobicContact CZ3-CD1 3.65Å; W286-F288 AromaticContact CZ3-CE1 3.7Å; W286-F288 HydrophobicContact CZ3-CE1 3.7Å; F288-F290 HydrophobicContact CB-CD2 4.01Å; F288-F290 HydrophobicContact CB-CE2 3.7Å; F288-F290 AromaticContact CD2-CD2 3.86Å; F288-F290 HydrophobicContact CD2-CD2 3.86Å; F288-F290 HydrophobicContact CD2-CE2 4.28Å; F288-F290 HydrophobicContact CG-CD2 4.25Å; F288-F290 HydrophobicContact CG-CE2 4.21Å; F288-T300 WeakPolarHBondContact CD2-O 3.49Å; F288-R301 VanDerWaalsContact O-CA 3.31Å; F288-R301 WeakPolarHBondContact O-CA 3.33Å; F288-S302 PolarHBondContact N-O 3.31Å; F288-S302 PolarHBondContact O-N 3.32Å; F288-S420 VanDerWaalsContact O-CB 3.29Å; F288-S420 WeakPolarHBondContact O-CB 3.34Å
289	N	89.5	Confident	72	Confident	26 Å²	26	50.5 Å²	50.5	14%	0.139	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	98.7	175.9	-175.8	29.8	0	0	0	109.7	L252 T416 N419	L252-N289 WeakPolarHBondContact CD2-O 3.41Å; L252-N289 PolarHBondContact O-N 2.7Å; N289-T416 HydrophobicContact CB-CG2 4.43Å; N289-N419 HydrophobicContact CB-CB 4.37Å
290	F	85.6	Confident	73	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129	177.2	-66.4	-84.6	0	0	0	110.2	C8 L158 Y166 L252 I253 F288 T300	C8-F290 HydrophobicContact CB-CE1 4.05Å; C8-F290 HydrophobicContact CB-CE2 4.2Å; C8-F290 HydrophobicContact CB-CZ 3.61Å; L158-F290 HydrophobicContact CD1-CE2 4.47Å; L158-F290 HydrophobicContact CD2-CD2 3.54Å; L158-F290 HydrophobicContact CD2-CE2 4.04Å; L158-F290 HydrophobicContact CD2-CG 4.32Å; Y166-F290 AromaticContact CD2-CD1 3.74Å; Y166-F290 HydrophobicContact CD2-CD1 3.74Å; Y166-F290 HydrophobicContact CD2-CE1 4.13Å; Y166-F290 AromaticContact CE2-CD1 3.54Å; Y166-F290 HydrophobicContact CE2-CD1 3.54Å; Y166-F290 HydrophobicContact CE2-CE1 4.21Å; L252-F290 HydrophobicContact CB-CD1 4.45Å; L252-F290 HydrophobicContact CB-CE1 3.92Å; L252-F290 HydrophobicContact CB-CZ 4.18Å; L252-F290 HydrophobicContact CD1-CD1 4.37Å; L252-F290 HydrophobicContact CD1-CE1 3.91Å; L252-F290 HydrophobicContact CD2-CD1 4.18Å; L252-F290 HydrophobicContact CD2-CE1 4.4Å; L252-F290 HydrophobicContact CG-CE1 4.32Å; I253-F290 HydrophobicContact CD1-CE2 4.3Å; I253-F290 HydrophobicContact CD1-CZ 3.81Å; I253-F290 HydrophobicContact CG1-CE2 3.95Å; I253-F290 HydrophobicContact CG1-CZ 3.75Å; F288-F290 HydrophobicContact CB-CD2 4.01Å; F288-F290 HydrophobicContact CB-CE2 3.7Å; F288-F290 AromaticContact CD2-CD2 3.86Å; F288-F290 HydrophobicContact CD2-CD2 3.86Å; F288-F290 HydrophobicContact CD2-CE2 4.28Å; F288-F290 HydrophobicContact CG-CD2 4.25Å; F288-F290 HydrophobicContact CG-CE2 4.21Å; F290-T300 PolarHBondContact N-O 2.9Å; F290-T300 PolarHBondContact O-N 3.23Å; F290-T300 VanDerWaalsContact O-N 3.08Å; F290-T300 PolarHBondContact O-OG1 3.28Å
291	I	72.8	Confident	74	Confident	87 Å²	87	48.2 Å²	48.2	45%	0.446	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.9	173.8	-58.1	170.9	0	0	0	107.6
292	D	63.5	Low	74.3	Confident	26 Å²	26	48.1 Å²	48.1	14%	0.139	28%	0.278	C	S	.	.			trans	-76.7	130.1	169.6	-162.4	-14.4	0	0	0	109.7	I161 T294	I161-D292 HydrophobicContact CG2-CB 3.86Å; D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 PolarHBondContact OD1-N 3.2Å; D292-T294 PolarHBondContact OD1-OG1 3.45Å
293	S	54.1	Low	74.1	Confident	91 Å²	91	48.2 Å²	48.2	64%	0.636	28%	0.279	S	S	*	.	S	Bend	trans	-79.4	-14.5	-175.6	49.4	0	0	0	0	113.7
294	T	53.2	Low	73.8	Confident	109 Å²	109	48.4 Å²	48.4	67%	0.669	28%	0.282	S	S	*	.	S	Bend	trans	-92.6	-21.9	-172.5	49.3	0	0	0	0	114.7	D292	D292-T294 VanDerWaalsContact C-N 3.34Å; D292-T294 PolarHBondContact OD1-N 3.2Å; D292-T294 PolarHBondContact OD1-OG1 3.45Å
295	D	49	Very low	72.9	Confident	107 Å²	107	49.4 Å²	49.4	57%	0.572	29%	0.288	S	S	*	.			trans	-147	114.9	171.5	-88.4	-43.1	0	0	0	109.2	S297 S298	D295-S297 PolarHBondContact O-N 3.31Å; D295-S298 PolarHBondContact O-N 2.93Å
296	S	49	Very low	71.1	Confident	121 Å²	121	50.7 Å²	50.7	85%	0.846	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-0.3	178.5	59.6	0	0	0	0	115.6
297	S	45.7	Very low	68.6	Low	104 Å²	104	53.2 Å²	53.2	73%	0.727	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-20.2	-175.8	58.3	0	0	0	0	114.6	D295	D295-S297 PolarHBondContact O-N 3.31Å
298	S	52.1	Low	65.9	Low	44 Å²	44	60 Å²	60	31%	0.308	36%	0.357	S	S	.	.			trans	-105.3	65.9	-178.4	43.6	0	0	0	0	112.9	D295 T300	D295-S298 PolarHBondContact O-N 2.93Å; S298-T300 PolarHBondContact O-N 2.92Å
299	I	57.2	Low	63.1	Low	95 Å²	95	70.2 Å²	70.2	49%	0.487	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	115.1	164.8	-61.6	172.4	0	0	0	107.7	R301	I299-R301 HydrophobicContact CG2-CB 4.31Å; I299-R301 HydrophobicContact CG2-CG 4.25Å
300	T	74.7	Confident	60.6	Low	15 Å²	15	70.7 Å²	70.7	9%	0.092	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	102.8	169.4	28.5	0	0	0	0	109.7	I161 F288 F290 S298	I161-T300 HydrophobicContact CD1-CG2 3.23Å; I161-T300 VanDerWaalsContact CD1-OG1 3.24Å; I161-T300 WeakPolarHBondContact CD1-OG1 3.21Å; F288-T300 WeakPolarHBondContact CD2-O 3.49Å; F290-T300 PolarHBondContact N-O 2.9Å; F290-T300 PolarHBondContact O-N 3.23Å; F290-T300 VanDerWaalsContact O-N 3.08Å; F290-T300 PolarHBondContact O-OG1 3.28Å; S298-T300 PolarHBondContact O-N 2.92Å
301	R	82.6	Confident	58.2	Low	112 Å²	112	74.6 Å²	74.6	42%	0.423	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.8	172.5	62.1	-174.8	-176.8	-179.6	-0.9	109.7	F288 I299 S420	F288-R301 VanDerWaalsContact O-CA 3.31Å; F288-R301 WeakPolarHBondContact O-CA 3.33Å; I299-R301 HydrophobicContact CG2-CB 4.31Å; I299-R301 HydrophobicContact CG2-CG 4.25Å; R301-S420 WeakPolarHBondContact CD-O 3.43Å
302	S	84.7	Confident	56.2	Low	20 Å²	20	77.7 Å²	77.7	14%	0.14	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151	168.5	-169.4	0	0	0	0	109.4	S154 G287 F288	S154-S302 WeakPolarHBondContact CB-OG 3.21Å; S154-S302 PolarHBondContact OG-OG 3.4Å; S154-S302 VanDerWaalsContact OG-OG 3.05Å; G287-S302 CarbonylContact C-O 3.6Å; G287-S302 WeakPolarHBondContact CA-O 3.42Å; F288-S302 PolarHBondContact N-O 3.31Å; F288-S302 PolarHBondContact O-N 3.32Å
303	S	81.7	Confident	54.6	Low	3 Å²	3	80.4 Å²	80.4	2%	0.021	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.7	166.8	169.9	0	0	0	0	108.7	W286 N305 C306 S420	W286-S303 WeakPolarHBondContact O-CA 3.49Å; W286-S303 VanDerWaalsContact O-CB 3.26Å; W286-S303 WeakPolarHBondContact O-CB 3.48Å; W286-S303 PolarHBondContact O-OG 3.26Å; S303-N305 PolarHBondContact O-N 3.43Å; S303-N305 VanDerWaalsContact O-N 3.16Å; S303-N305 PolarHBondContact OG-N 2.97Å; S303-C306 WeakPolarHBondContact O-CB 3.18Å; S303-C306 PolarHBondContact O-N 2.97Å; S303-C306 VanDerWaalsContact O-N 3.12Å; S303-S420 VanDerWaalsContact CB-OG 3.25Å; S303-S420 WeakPolarHBondContact CB-OG 3.48Å
304	N	85.5	Confident	53.5	Low	37 Å²	37	83.4 Å²	83.4	20%	0.198	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-7	171.4	67.2	-23.4	0	0	0	113.5	I147 I284 F285 W286	I147-N304 WeakPolarHBondContact CG2-ND2 3.48Å; I284-N304 PolarHBondContact O-ND2 3.06Å; F285-N304 WeakPolarHBondContact CA-OD1 3.28Å; W286-N304 HydrophobicContact CD2-CB 4.38Å; W286-N304 HydrophobicContact CZ2-CB 3.88Å; W286-N304 PolarHBondContact N-OD1 3.04Å; W286-N304 PolarHBondContact O-N 3.23Å; W286-N304 PolarHBondContact O-OD1 2.87Å
305	N	74.4	Confident	52.7	Low	26 Å²	26	85 Å²	85	14%	0.139	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	19.7	172.2	-157.2	46.2	0	0	0	113.7	F285 S303 S307 I392 L393	F285-N305 HydrophobicContact CD1-CB 4.17Å; S303-N305 PolarHBondContact O-N 3.43Å; S303-N305 VanDerWaalsContact O-N 3.16Å; S303-N305 PolarHBondContact OG-N 2.97Å; N305-S307 PolarHBondContact O-N 3.25Å; N305-I392 HydrophobicContact CB-CG2 4.11Å; N305-I392 VanDerWaalsContact ND2-C 3.3Å; N305-I392 WeakPolarHBondContact ND2-CG2 3.48Å; N305-I392 PolarHBondContact ND2-O 3.43Å; N305-L393 WeakPolarHBondContact ND2-CA 3.46Å
306	C	55.3	Low	52	Low	42 Å²	42	86.3 Å²	86.3	28%	0.284	47%	0.466	S	S	.	.			trans	-65.6	89.7	162.6	-97.7	0	0	0	0	108.7	S303 T308 L311	S303-C306 WeakPolarHBondContact O-CB 3.18Å; S303-C306 PolarHBondContact O-N 2.97Å; S303-C306 VanDerWaalsContact O-N 3.12Å; C306-T308 VanDerWaalsContact C-N 3.32Å; C306-T308 PolarHBondContact O-N 3.27Å; C306-L311 WeakPolarHBondContact SG-CD1 3.18Å
307	S	43.8	Very low	51.2	Low	52 Å²	52	85.2 Å²	85.2	36%	0.364	45%	0.45	S	S	.	.			trans	-51.6	107.8	153.8	-35.3	0	0	0	0	105.4	N305 R309 T310	N305-S307 PolarHBondContact O-N 3.25Å; S307-R309 PolarHBondContact O-N 3.27Å; S307-T310 PolarHBondContact O-N 2.77Å; S307-T310 PolarHBondContact O-OG1 2.97Å
308	T	36.7	Very low	50.9	Low	142 Å²	142	85.8 Å²	85.8	87%	0.871	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	5.5	-170.3	-12.7	0	0	0	0	113.7	C306	C306-T308 VanDerWaalsContact C-N 3.32Å; C306-T308 PolarHBondContact O-N 3.27Å
309	R	34.9	Very low	50	Low	216 Å²	216	90.4 Å²	90.4	82%	0.815	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-18.5	-179.8	-88.4	-177.4	178	-176.9	-0.2	116	S307	S307-R309 PolarHBondContact O-N 3.27Å
310	T	36.4	Very low	48.8	Very low	35 Å²	35	91 Å²	91	22%	0.215	47%	0.469	C	S	.	.	S	Bend	trans	-93.8	-26.3	-167.6	30.3	0	0	0	0	115.7	S307 R494	S307-T310 PolarHBondContact O-N 2.77Å; S307-T310 PolarHBondContact O-OG1 2.97Å; T310-R494 PolarHBondContact OG1-NH2 3.24Å
311	L	34.1	Very low	46.7	Very low	82 Å²	82	94.6 Å²	94.6	43%	0.429	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.8	-174.8	-83.8	154.5	0	0	0	115.3	C306	C306-L311 WeakPolarHBondContact SG-CD1 3.18Å
312	L	31.7	Very low	44.4	Very low	152 Å²	152	94.4 Å²	94.4	80%	0.796	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-0.8	-177.5	-84.5	164.5	0	0	0	114.7	H314	L312-H314 PolarHBondContact O-N 2.82Å
313	N	29.8	Very low	42	Very low	84 Å²	84	101.1 Å²	101.1	45%	0.449	52%	0.518	S	S	.	.			trans	-83.5	106.4	175.4	-72.4	-0.1	0	0	0	109
314	H	30.2	Very low	39.7	Very low	154 Å²	154	103.1 Å²	103.1	71%	0.713	53%	0.528	S	S	*	.			trans	-39	147.7	158	-94.7	-88.3	0	0	0	110.8	L312 D316	L312-H314 PolarHBondContact O-N 2.82Å; H314-D316 PolarHBondContact O-N 3.4Å
315	L	37.5	Very low	37	Very low	141 Å²	141	107.3 Å²	107.3	74%	0.738	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-2.6	176.3	-83.9	138.1	0	0	0	115.9
316	D	33.5	Very low	35.2	Very low	135 Å²	135	107.3 Å²	107.3	72%	0.722	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.4	-171.6	-60.7	-34.4	0	0	0	115	H314	H314-D316 PolarHBondContact O-N 3.4Å
317	N	32.6	Very low	34.4	Very low	98 Å²	98	108 Å²	108	52%	0.524	55%	0.549	S	S	.	.			trans	-114.7	49.4	179	-83.9	-20.2	0	0	0	113.4	N319	N317-N319 PolarHBondContact O-N 3.34Å
318	L	40.4	Very low	34.5	Very low	117 Å²	117	109 Å²	109	61%	0.613	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-9.4	171	-75.1	163.8	0	0	0	113.7	L497	L318-L497 HydrophobicContact CD1-CD2 4.18Å; L318-L497 HydrophobicContact CD2-CD2 4.01Å
319	N	32.6	Very low	34.8	Very low	140 Å²	140	107.8 Å²	107.8	75%	0.749	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	18.2	-170	-71.8	-6	0	0	0	115.9	N317	N317-N319 PolarHBondContact O-N 3.34Å
320	I	31.4	Very low	35.3	Very low	108 Å²	108	99.2 Å²	99.2	55%	0.554	50%	0.503	S	S	*	.	S	Bend	trans	-123	115.1	176.3	-53.1	175	0	0	0	108.4	K322	I320-K322 PolarHBondContact O-N 3.16Å
321	P	31.4	Very low	35.7	Very low	90 Å²	90	98.1 Å²	98.1	58%	0.584	50%	0.496	S	S	*	.			trans	-57.4	108.5	168.6	-16	28.1	0	0	0	107.4	Y323	P321-Y323 PolarHBondContact O-N 2.83Å
322	K	34.6	Very low	36.1	Very low	109 Å²	109	96.7 Å²	96.7	47%	0.474	49%	0.488	S	S	.	.			trans	-73.3	102.7	173.3	-76.2	-178.4	-179	174.4	0	106.8	I320 L324	I320-K322 PolarHBondContact O-N 3.16Å; K322-L324 HydrophobicContact CB-CD1 4.37Å; K322-L324 PolarHBondContact O-N 3.32Å
323	Y	34.3	Very low	36.6	Very low	161 Å²	161	93.4 Å²	93.4	63%	0.631	47%	0.471	S	S	*	.			trans	-53.6	109.9	162.2	-56.8	-82.8	0	0	0	107.9	P321 Y340	P321-Y323 PolarHBondContact O-N 2.83Å; Y323-Y340 HydrophobicContact CE1-CD1 4.38Å; Y323-Y340 HydrophobicContact CE1-CG 4.48Å
324	L	32.4	Very low	37.2	Very low	44 Å²	44	90 Å²	90	23%	0.23	45%	0.453	C	S	.	.			trans	-107.5	102.9	176.7	-101.7	139.1	0	0	0	107.6	K322 D394	K322-L324 HydrophobicContact CB-CD1 4.37Å; K322-L324 PolarHBondContact O-N 3.32Å; L324-D394 HydrophobicContact CD1-CB 4.07Å; L324-D394 WeakPolarHBondContact CD1-O 3.43Å; L324-D394 WeakPolarHBondContact CD1-OD2 3.31Å; L324-D394 HydrophobicContact CD2-CB 3.56Å; L324-D394 HydrophobicContact CG-CB 4.42Å
325	H	29.4	Very low	38	Very low	125 Å²	125	83.2 Å²	83.2	58%	0.579	42%	0.422	S	S	*	.			trans	-75.7	120.7	170.8	-70.9	-68.8	0	0	0	108.2	D332	H325-D332 IonicContact CE1-OD2 3.89Å; H325-D332 IonicContact CG-OD2 2.7Å; H325-D332 IonicContact ND1-OD1 3.78Å; H325-D332 PolarHBondContact ND1-OD1 2.9Å; H325-D332 IonicContact ND1-OD2 2.66Å; H325-D332 PolarHBondContact ND1-OD2 3.4Å
326	F	36.9	Very low	38.3	Very low	26 Å²	26	78.9 Å²	78.9	11%	0.114	40%	0.402	C	S	.	.			trans	-56.9	144.1	162.3	-75	-109	0	0	0	108.4	D328 H329 F331 E395	F326-D328 VanDerWaalsContact C-N 3.31Å; F326-D328 PolarHBondContact O-N 3.36Å; F326-H329 PolarHBondContact O-N 2.89Å; F326-F331 AromaticContact CD1-CD2 3.93Å; F326-F331 HydrophobicContact CD1-CD2 3.93Å; F326-F331 HydrophobicContact CD1-CE2 4.31Å; F326-F331 HydrophobicContact CD2-CB 3.52Å; F326-F331 AromaticContact CD2-CD2 3.47Å; F326-F331 HydrophobicContact CD2-CD2 3.47Å; F326-F331 VanDerWaalsContact CD2-CD2 3.47Å; F326-F331 HydrophobicContact CD2-CE2 4.36Å; F326-F331 AromaticContact CD2-CG 3.82Å; F326-F331 HydrophobicContact CD2-CG 3.82Å; F326-F331 AromaticContact CE1-CD2 3.38Å; F326-F331 HydrophobicContact CE1-CD2 3.38Å; F326-F331 AromaticContact CE1-CE2 3.37Å; F326-F331 HydrophobicContact CE1-CE2 3.37Å; F326-F331 HydrophobicContact CE2-CB 3.42Å; F326-F331 VanDerWaalsContact CE2-CB 3.42Å; F326-F331 HydrophobicContact CE2-CD1 4.22Å; F326-F331 AromaticContact CE2-CD2 2.9Å; F326-F331 HydrophobicContact CE2-CD2 2.9Å; F326-F331 AromaticContact CE2-CE2 3.48Å; F326-F331 HydrophobicContact CE2-CE2 3.48Å; F326-F331 VanDerWaalsContact CE2-CE2 3.48Å; F326-F331 AromaticContact CE2-CG 3.26Å; F326-F331 HydrophobicContact CE2-CG 3.26Å; F326-F331 HydrophobicContact CE2-CZ 4.33Å; F326-F331 HydrophobicContact CG-CB 4.49Å; F326-F331 AromaticContact CG-CD2 3.97Å; F326-F331 HydrophobicContact CG-CD2 3.97Å; F326-F331 HydrophobicContact CZ-CB 4.3Å; F326-F331 HydrophobicContact CZ-CD1 4.5Å; F326-F331 AromaticContact CZ-CD2 2.85Å; F326-F331 HydrophobicContact CZ-CD2 2.85Å; F326-F331 AromaticContact CZ-CE2 2.88Å; F326-F331 HydrophobicContact CZ-CE2 2.88Å; F326-F331 AromaticContact CZ-CG 3.67Å; F326-F331 HydrophobicContact CZ-CG 3.67Å; F326-F331 AromaticContact CZ-CZ 3.82Å; F326-F331 HydrophobicContact CZ-CZ 3.82Å; F326-E395 VanDerWaalsContact CA-OE1 3.25Å; F326-E395 WeakPolarHBondContact CA-OE1 3.3Å; F326-E395 HydrophobicContact CD1-CB 4.18Å; F326-E395 HydrophobicContact CD1-CG 3.56Å; F326-E395 WeakPolarHBondContact CD1-OE1 3.29Å; F326-E395 WeakPolarHBondContact CD1-OE2 3.15Å; F326-E395 WeakPolarHBondContact CD2-OE2 3.48Å; F326-E395 HydrophobicContact CE1-CB 3.26Å; F326-E395 HydrophobicContact CE1-CG 3.13Å; F326-E395 VanDerWaalsContact CE1-OE2 3.32Å; F326-E395 WeakPolarHBondContact CE1-OE2 3.23Å; F326-E395 HydrophobicContact CE2-CB 4.03Å; F326-E395 HydrophobicContact CE2-CG 4.21Å; F326-E395 WeakPolarHBondContact CE2-OE2 3.41Å; F326-E395 HydrophobicContact CG-CG 4.27Å; F326-E395 WeakPolarHBondContact CG-OE1 3.26Å; F326-E395 WeakPolarHBondContact CG-OE2 3.48Å; F326-E395 HydrophobicContact CZ-CB 3.14Å; F326-E395 HydrophobicContact CZ-CG 3.49Å; F326-E395 VanDerWaalsContact CZ-CG 3.49Å; F326-E395 WeakPolarHBondContact CZ-OE2 3.5Å
327	P	37.3	Very low	39.1	Very low	56 Å²	56	78.7 Å²	78.7	36%	0.364	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	108.9	157.1	27.7	-28	0	0	0	105	E395	P327-E395 WeakPolarHBondContact CD-OE1 3.45Å
328	D	46.2	Very low	39.8	Very low	74 Å²	74	80.6 Å²	80.6	40%	0.396	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	36.5	177.5	-42.9	-42.4	0	0	0	118.6	Y261 F326 F330	Y261-D328 PolarHBondContact OH-OD2 2.83Å; F326-D328 VanDerWaalsContact C-N 3.31Å; F326-D328 PolarHBondContact O-N 3.36Å; D328-F330 PolarHBondContact O-N 3.45Å
329	H	43.1	Very low	40.1	Very low	117 Å²	117	75.3 Å²	75.3	54%	0.542	38%	0.38	S	S	.	.	S	Bend	trans	54.2	10.2	163.8	-62.2	-59.5	0	0	0	116.5	F326 F331 D332 I333	F326-H329 PolarHBondContact O-N 2.89Å; H329-F331 VanDerWaalsContact C-N 3.3Å; H329-F331 PolarHBondContact O-N 2.87Å; H329-D332 HydrophobicContact CB-CB 4.27Å; H329-D332 IonicContact CG-OD2 3.73Å; H329-D332 IonicContact ND1-OD2 2.66Å; H329-D332 PolarHBondContact ND1-OD2 3.09Å; H329-D332 PolarHBondContact O-N 3.5Å; H329-I333 HydrophobicContact CB-CD1 4.15Å; H329-I333 HydrophobicContact CB-CG1 4.27Å; H329-I333 VanDerWaalsContact O-CG1 3.31Å; H329-I333 WeakPolarHBondContact O-CG1 3.39Å; H329-I333 PolarHBondContact O-N 3.18Å
330	F	45.1	Very low	41	Very low	36 Å²	36	72.5 Å²	72.5	16%	0.158	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-40.8	-165.5	-171.9	-84.9	0	0	0	111	F195 F229 Y230 D328 L334	F195-F330 HydrophobicContact CD1-CD2 4.47Å; F195-F330 AromaticContact CE1-CD2 3.47Å; F195-F330 HydrophobicContact CE1-CD2 3.47Å; F195-F330 VanDerWaalsContact CE1-CD2 3.47Å; F195-F330 AromaticContact CE1-CE2 3.5Å; F195-F330 HydrophobicContact CE1-CE2 3.5Å; F195-F330 VanDerWaalsContact CE1-CE2 3.5Å; F195-F330 AromaticContact CZ-CD2 3.79Å; F195-F330 HydrophobicContact CZ-CD2 3.79Å; F195-F330 AromaticContact CZ-CE2 3.7Å; F195-F330 HydrophobicContact CZ-CE2 3.7Å; F229-F330 HydrophobicContact CD1-CD1 4.41Å; F229-F330 AromaticContact CD1-CE1 3.65Å; F229-F330 HydrophobicContact CD1-CE1 3.65Å; F229-F330 AromaticContact CD1-CZ 3.98Å; F229-F330 HydrophobicContact CD1-CZ 3.98Å; F229-F330 AromaticContact CE1-CD1 3.44Å; F229-F330 HydrophobicContact CE1-CD1 3.44Å; F229-F330 VanDerWaalsContact CE1-CD1 3.44Å; F229-F330 AromaticContact CE1-CE1 2.97Å; F229-F330 HydrophobicContact CE1-CE1 2.97Å; F229-F330 AromaticContact CE1-CZ 3.76Å; F229-F330 HydrophobicContact CE1-CZ 3.76Å; F229-F330 AromaticContact CZ-CD1 3.91Å; F229-F330 HydrophobicContact CZ-CD1 3.91Å; F229-F330 AromaticContact CZ-CE1 3.48Å; F229-F330 HydrophobicContact CZ-CE1 3.48Å; F229-F330 VanDerWaalsContact CZ-CE1 3.48Å; Y230-F330 HydrophobicContact CE2-CE2 4.48Å; Y230-F330 HydrophobicContact CE2-CZ 4.39Å; D328-F330 PolarHBondContact O-N 3.45Å; F330-L334 HydrophobicContact CD1-CD1 3.74Å; F330-L334 HydrophobicContact CE1-CD1 3.26Å; F330-L334 HydrophobicContact CE1-CG 4.48Å; F330-L334 HydrophobicContact CZ-CD1 3.9Å; F330-L334 WeakPolarHBondContact O-CB 3.41Å; F330-L334 WeakPolarHBondContact O-CD1 3.4Å; F330-L334 WeakPolarHBondContact O-CG 3.44Å; F330-L334 PolarHBondContact O-N 2.93Å
331	F	45.5	Very low	41.7	Very low	12 Å²	12	73.5 Å²	73.5	5%	0.053	37%	0.366	C	S	.	.	H	α-helix	trans	-83.7	-25.6	171.3	-84.7	-101	0	0	0	114.4	I227 F229 F326 H329 I333 L334 C335 L379	I227-F331 HydrophobicContact CD1-CD1 4.3Å; I227-F331 HydrophobicContact CD1-CE1 3.81Å; F229-F331 AromaticContact CE1-CE2 3.96Å; F229-F331 HydrophobicContact CE1-CE2 3.96Å; F229-F331 HydrophobicContact CE2-CE2 4.09Å; F229-F331 AromaticContact CE2-CZ 3.85Å; F229-F331 HydrophobicContact CE2-CZ 3.85Å; F229-F331 HydrophobicContact CZ-CD2 4.12Å; F229-F331 HydrophobicContact CZ-CE1 4.4Å; F229-F331 AromaticContact CZ-CE2 3.21Å; F229-F331 HydrophobicContact CZ-CE2 3.21Å; F229-F331 AromaticContact CZ-CZ 3.42Å; F229-F331 HydrophobicContact CZ-CZ 3.42Å; F229-F331 VanDerWaalsContact CZ-CZ 3.42Å; F326-F331 AromaticContact CD1-CD2 3.93Å; F326-F331 HydrophobicContact CD1-CD2 3.93Å; F326-F331 HydrophobicContact CD1-CE2 4.31Å; F326-F331 HydrophobicContact CD2-CB 3.52Å; F326-F331 AromaticContact CD2-CD2 3.47Å; F326-F331 HydrophobicContact CD2-CD2 3.47Å; F326-F331 VanDerWaalsContact CD2-CD2 3.47Å; F326-F331 HydrophobicContact CD2-CE2 4.36Å; F326-F331 AromaticContact CD2-CG 3.82Å; F326-F331 HydrophobicContact CD2-CG 3.82Å; F326-F331 AromaticContact CE1-CD2 3.38Å; F326-F331 HydrophobicContact CE1-CD2 3.38Å; F326-F331 AromaticContact CE1-CE2 3.37Å; F326-F331 HydrophobicContact CE1-CE2 3.37Å; F326-F331 HydrophobicContact CE2-CB 3.42Å; F326-F331 VanDerWaalsContact CE2-CB 3.42Å; F326-F331 HydrophobicContact CE2-CD1 4.22Å; F326-F331 AromaticContact CE2-CD2 2.9Å; F326-F331 HydrophobicContact CE2-CD2 2.9Å; F326-F331 AromaticContact CE2-CE2 3.48Å; F326-F331 HydrophobicContact CE2-CE2 3.48Å; F326-F331 VanDerWaalsContact CE2-CE2 3.48Å; F326-F331 AromaticContact CE2-CG 3.26Å; F326-F331 HydrophobicContact CE2-CG 3.26Å; F326-F331 HydrophobicContact CE2-CZ 4.33Å; F326-F331 HydrophobicContact CG-CB 4.49Å; F326-F331 AromaticContact CG-CD2 3.97Å; F326-F331 HydrophobicContact CG-CD2 3.97Å; F326-F331 HydrophobicContact CZ-CB 4.3Å; F326-F331 HydrophobicContact CZ-CD1 4.5Å; F326-F331 AromaticContact CZ-CD2 2.85Å; F326-F331 HydrophobicContact CZ-CD2 2.85Å; F326-F331 AromaticContact CZ-CE2 2.88Å; F326-F331 HydrophobicContact CZ-CE2 2.88Å; F326-F331 AromaticContact CZ-CG 3.67Å; F326-F331 HydrophobicContact CZ-CG 3.67Å; F326-F331 AromaticContact CZ-CZ 3.82Å; F326-F331 HydrophobicContact CZ-CZ 3.82Å; H329-F331 VanDerWaalsContact C-N 3.3Å; H329-F331 PolarHBondContact O-N 2.87Å; F331-I333 PolarHBondContact O-N 2.75Å; F331-L334 CarbonylContact O-C 3.56Å; F331-L334 PolarHBondContact O-N 2.73Å; F331-L334 VanDerWaalsContact O-N 3.11Å; F331-C335 WeakPolarHBondContact O-CA 3.48Å; F331-C335 WeakPolarHBondContact O-CB 3.47Å; F331-C335 PolarHBondContact O-N 3.03Å; F331-L379 HydrophobicContact CE2-CD1 3.97Å; F331-L379 HydrophobicContact CZ-CD1 3.7Å
332	D	42.5	Very low	42.9	Very low	51 Å²	51	74.4 Å²	74.4	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-36.3	174.4	-60.5	-22	0	0	0	110.8	H325 H329 L334	H325-D332 IonicContact CE1-OD2 3.89Å; H325-D332 IonicContact CG-OD2 2.7Å; H325-D332 IonicContact ND1-OD1 3.78Å; H325-D332 PolarHBondContact ND1-OD1 2.9Å; H325-D332 IonicContact ND1-OD2 2.66Å; H325-D332 PolarHBondContact ND1-OD2 3.4Å; H329-D332 HydrophobicContact CB-CB 4.27Å; H329-D332 IonicContact CG-OD2 3.73Å; H329-D332 IonicContact ND1-OD2 2.66Å; H329-D332 PolarHBondContact ND1-OD2 3.09Å; H329-D332 PolarHBondContact O-N 3.5Å; D332-L334 VanDerWaalsContact C-N 3.33Å
333	I	41.6	Very low	44.3	Very low	83 Å²	83	78.3 Å²	78.3	43%	0.426	38%	0.382	S	S	.	.	H	α-helix	trans	-69.9	-35.2	175.1	-65.9	165.6	0	0	0	110.9	P198 H329 F331	P198-I333 HydrophobicContact CG-CG2 4.43Å; H329-I333 HydrophobicContact CB-CD1 4.15Å; H329-I333 HydrophobicContact CB-CG1 4.27Å; H329-I333 VanDerWaalsContact O-CG1 3.31Å; H329-I333 WeakPolarHBondContact O-CG1 3.39Å; H329-I333 PolarHBondContact O-N 3.18Å; F331-I333 PolarHBondContact O-N 2.75Å
334	L	42.9	Very low	45.8	Very low	13 Å²	13	75.3 Å²	75.3	7%	0.068	37%	0.373	C	S	.	.	H	α-helix	trans	-93.1	-17.2	-173.5	-69.2	-176.4	0	0	0	113.8	V213 I216 I227 F330 F331 D332 P336	V213-L334 HydrophobicContact CG2-CD2 4.1Å; I216-L334 HydrophobicContact CD1-CB 3.22Å; I216-L334 HydrophobicContact CD1-CD1 3.93Å; I216-L334 HydrophobicContact CD1-CD2 3.11Å; I216-L334 HydrophobicContact CD1-CG 3.48Å; I216-L334 VanDerWaalsContact CD1-CG 3.48Å; I216-L334 WeakPolarHBondContact CD1-O 3.33Å; I216-L334 HydrophobicContact CG1-CB 4.15Å; I216-L334 WeakPolarHBondContact CG1-O 3.45Å; I216-L334 WeakPolarHBondContact CG2-O 3.28Å; I227-L334 HydrophobicContact CG2-CD1 4.36Å; F330-L334 HydrophobicContact CD1-CD1 3.74Å; F330-L334 HydrophobicContact CE1-CD1 3.26Å; F330-L334 HydrophobicContact CE1-CG 4.48Å; F330-L334 HydrophobicContact CZ-CD1 3.9Å; F330-L334 WeakPolarHBondContact O-CB 3.41Å; F330-L334 WeakPolarHBondContact O-CD1 3.4Å; F330-L334 WeakPolarHBondContact O-CG 3.44Å; F330-L334 PolarHBondContact O-N 2.93Å; F331-L334 CarbonylContact O-C 3.56Å; F331-L334 PolarHBondContact O-N 2.73Å; F331-L334 VanDerWaalsContact O-N 3.11Å; D332-L334 VanDerWaalsContact C-N 3.33Å; L334-P336 WeakPolarHBondContact O-CD 3.41Å
335	C	46.1	Very low	47.7	Very low	12 Å²	12	75.9 Å²	75.9	8%	0.081	38%	0.379	C	S	.	.	S	Bend	trans	-121.6	86.9	176.5	-80.1	0	0	0	0	108.9	F331 Y340	F331-C335 WeakPolarHBondContact O-CA 3.48Å; F331-C335 WeakPolarHBondContact O-CB 3.47Å; F331-C335 PolarHBondContact O-N 3.03Å; C335-Y340 HydrophobicContact CB-CE2 4.13Å
336	P	45.1	Very low	50	Low	49 Å²	49	72.2 Å²	72.2	32%	0.318	36%	0.363	S	S	.	.			trans	-48.2	146.6	171.6	-27.3	23.5	0	0	0	113.7	F220 L334 Q338 V339	F220-P336 HydrophobicContact CE1-CB 4.18Å; F220-P336 HydrophobicContact CE1-CG 4.32Å; F220-P336 HydrophobicContact CE2-CB 4.28Å; F220-P336 HydrophobicContact CE2-CG 3.54Å; F220-P336 HydrophobicContact CZ-CB 3.52Å; F220-P336 HydrophobicContact CZ-CG 3.25Å; L334-P336 WeakPolarHBondContact O-CD 3.41Å; P336-Q338 PolarHBondContact O-N 3.33Å; P336-V339 PolarHBondContact O-N 2.96Å
337	D	50.2	Low	52.3	Low	132 Å²	132	71.4 Å²	71.4	71%	0.706	36%	0.36	S	S	*	.	H	α-helix	trans	-46.6	-24.4	175.2	-68.5	-32.7	0	0	0	114	V339 Y340 N341	D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 3.11Å; D337-Y340 PolarHBondContact O-N 2.66Å; D337-Y340 VanDerWaalsContact O-N 3.15Å; D337-N341 PolarHBondContact O-N 2.7Å; D337-N341 PolarHBondContact O-ND2 3.47Å
338	Q	46.1	Very low	54.6	Low	137 Å²	137	70.5 Å²	70.5	64%	0.64	35%	0.35	S	S	*	.	H	α-helix	trans	-57.1	-34	175.2	-77.4	-176.5	-13.2	0	0	114	F220 P336 Y340 N341	F220-Q338 HydrophobicContact CD1-CB 4.36Å; F220-Q338 HydrophobicContact CE1-CB 3.83Å; P336-Q338 PolarHBondContact O-N 3.33Å; Q338-Y340 VanDerWaalsContact C-N 3.32Å; Q338-N341 PolarHBondContact O-N 3.07Å
339	V	47.9	Very low	56.7	Low	7 Å²	7	67 Å²	67	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-41.5	176.5	-176.5	0	0	0	0	110.6	F219 F220 P336 D337 N341 E342 I346	F219-V339 HydrophobicContact CD1-CG2 3.88Å; F219-V339 HydrophobicContact CE1-CB 4.11Å; F219-V339 HydrophobicContact CE1-CG1 3.47Å; F219-V339 VanDerWaalsContact CE1-CG1 3.47Å; F219-V339 HydrophobicContact CE1-CG2 3.42Å; F219-V339 VanDerWaalsContact CE1-CG2 3.42Å; F219-V339 HydrophobicContact CZ-CG1 3.88Å; F219-V339 HydrophobicContact CZ-CG2 4.49Å; F220-V339 HydrophobicContact CD1-CG2 3.94Å; F220-V339 HydrophobicContact CE1-CB 4.25Å; F220-V339 HydrophobicContact CE1-CG2 3.1Å; F220-V339 HydrophobicContact CZ-CG2 3.41Å; F220-V339 VanDerWaalsContact CZ-CG2 3.41Å; P336-V339 PolarHBondContact O-N 2.96Å; D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 3.11Å; V339-N341 PolarHBondContact O-N 3.03Å; V339-E342 PolarHBondContact O-N 3.41Å; V339-I346 HydrophobicContact CG1-CD1 3.61Å
340	Y	50.5	Low	59	Low	80 Å²	80	61.4 Å²	61.4	31%	0.314	31%	0.306	S	S	.	.	H	α-helix	trans	-74.8	-15.1	-175.7	-63.3	-75.6	0	0	0	112.8	Y323 C335 D337 Q338 I346	Y323-Y340 HydrophobicContact CE1-CD1 4.38Å; Y323-Y340 HydrophobicContact CE1-CG 4.48Å; C335-Y340 HydrophobicContact CB-CE2 4.13Å; D337-Y340 PolarHBondContact O-N 2.66Å; D337-Y340 VanDerWaalsContact O-N 3.15Å; Q338-Y340 VanDerWaalsContact C-N 3.32Å; Y340-I346 HydrophobicContact CD1-CD1 4.23Å; Y340-I346 HydrophobicContact CE1-CD1 4.06Å
341	N	47.3	Very low	61.1	Low	130 Å²	130	59.7 Å²	59.7	70%	0.695	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.1	176.7	-77.1	-30.8	0	0	0	114.1	D337 Q338 V339 E343	D337-N341 PolarHBondContact O-N 2.7Å; D337-N341 PolarHBondContact O-ND2 3.47Å; Q338-N341 PolarHBondContact O-N 3.07Å; V339-N341 PolarHBondContact O-N 3.03Å; N341-E343 VanDerWaalsContact C-N 3.26Å; N341-E343 PolarHBondContact O-N 2.71Å
342	E	55.2	Low	63	Low	108 Å²	108	59.9 Å²	59.9	51%	0.505	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	3.5	-177.4	-71.3	-156.8	158.3	0	0	115.4	V339 K344	V339-E342 PolarHBondContact O-N 3.41Å; E342-K344 PolarHBondContact O-N 3.45Å
343	E	64.6	Low	64.7	Low	191 Å²	191	60 Å²	60	89%	0.893	31%	0.305	S	S	*	.			trans	55.9	-9.4	-174.5	-67.3	-171.2	163.8	0	0	116.1	N341	N341-E343 VanDerWaalsContact C-N 3.26Å; N341-E343 PolarHBondContact O-N 2.71Å
344	K	65.6	Low	66.5	Low	99 Å²	99	61.5 Å²	61.5	43%	0.43	32%	0.318	S	S	.	.			trans	-78	136.2	179.1	-69.8	178.1	-172.3	161.9	0	111.4	E342	E342-K344 PolarHBondContact O-N 3.45Å
345	P	71.8	Confident	68.5	Low	56 Å²	56	61 Å²	61	36%	0.364	32%	0.316	S	S	.	.			trans	-60.9	151.2	171.6	24.9	-32.7	0	0	0	111.4	V374 N375	P345-V374 HydrophobicContact CB-CG2 4.32Å; P345-V374 HydrophobicContact CG-CB 4.35Å; P345-V374 HydrophobicContact CG-CG2 3.68Å; P345-V374 WeakPolarHBondContact O-CA 3.13Å; P345-V374 WeakPolarHBondContact O-CG1 3.43Å; P345-N375 PolarHBondContact O-N 3.26Å
346	I	78	Confident	70.3	Confident	48 Å²	48	62.5 Å²	62.5	25%	0.246	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.6	-179.7	-56.4	172.6	0	0	0	108.8	V339 Y340 K348 N375 V377	V339-I346 HydrophobicContact CG1-CD1 3.61Å; Y340-I346 HydrophobicContact CD1-CD1 4.23Å; Y340-I346 HydrophobicContact CE1-CD1 4.06Å; I346-K348 HydrophobicContact CG2-CG 4.18Å; I346-N375 CarbonylContact C-O 3.51Å; I346-N375 WeakPolarHBondContact CA-O 3.39Å; I346-N375 HydrophobicContact CG1-CB 4.42Å; I346-V377 HydrophobicContact CG2-CG2 3.41Å; I346-V377 VanDerWaalsContact CG2-CG2 3.41Å
347	L	84.6	Confident	72.1	Confident	8 Å²	8	64 Å²	64	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.3	169.6	179.1	68.4	0	0	0	109.5	L349 F363 Y366 V374 N375 V376 V377 D397 I498 I502	L347-L349 HydrophobicContact CD1-CD2 4.15Å; L347-L349 HydrophobicContact CD2-CD1 3.99Å; L347-L349 HydrophobicContact CD2-CD2 4.02Å; L347-L349 HydrophobicContact CD2-CG 4.08Å; L347-L349 HydrophobicContact CG-CD1 4.43Å; L347-L349 HydrophobicContact CG-CD2 3.92Å; L347-L349 HydrophobicContact CG-CG 3.99Å; L347-F363 HydrophobicContact CD2-CD1 4.36Å; L347-F363 HydrophobicContact CD2-CE1 4.17Å; L347-Y366 HydrophobicContact CB-CE1 4.31Å; L347-Y366 HydrophobicContact CD2-CD1 3.86Å; L347-Y366 HydrophobicContact CD2-CE1 3.51Å; L347-Y366 HydrophobicContact CD2-CE2 4.41Å; L347-Y366 HydrophobicContact CG-CE1 4.45Å; L347-V374 HydrophobicContact CB-CG1 3.7Å; L347-N375 PolarHBondContact N-O 3.44Å; L347-V376 HydrophobicContact CB-CG2 4.46Å; L347-V376 CarbonylContact O-C 3.48Å; L347-V376 WeakPolarHBondContact O-CA 3.37Å; L347-V377 PolarHBondContact O-N 3.15Å; L347-D397 HydrophobicContact CD1-CB 3.84Å; L347-I498 HydrophobicContact CD1-CG2 3.83Å; L347-I502 HydrophobicContact CD1-CD1 4.28Å; L347-I502 HydrophobicContact CD2-CD1 4.41Å; L347-I502 HydrophobicContact CD2-CG1 4.16Å
348	K	86.2	Confident	73.9	Confident	38 Å²	38	62.1 Å²	62.1	17%	0.165	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120	179.8	-59.9	177.3	-68.2	163.8	0	109.9	I346 D394 E395 V396 D397 A398	I346-K348 HydrophobicContact CG2-CG 4.18Å; K348-D394 PolarHBondContact NZ-O 3.5Å; K348-E395 WeakPolarHBondContact CD-O 3.24Å; K348-E395 VanDerWaalsContact CE-O 3.26Å; K348-E395 WeakPolarHBondContact CE-O 3.47Å; K348-E395 PolarHBondContact NZ-O 3.3Å; K348-V396 HydrophobicContact CB-CB 4.28Å; K348-V396 HydrophobicContact CB-CG1 4.33Å; K348-D397 PolarHBondContact N-OD2 3.39Å; K348-D397 PolarHBondContact O-N 2.58Å; K348-A398 PolarHBondContact O-N 2.92Å
349	L	90.7	Very high	75.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.3	-176.7	-60.9	179.5	0	0	0	111.4	L347 F363 V376 V377 F378 L379 A398 I400 I502	L347-L349 HydrophobicContact CD1-CD2 4.15Å; L347-L349 HydrophobicContact CD2-CD1 3.99Å; L347-L349 HydrophobicContact CD2-CD2 4.02Å; L347-L349 HydrophobicContact CD2-CG 4.08Å; L347-L349 HydrophobicContact CG-CD1 4.43Å; L347-L349 HydrophobicContact CG-CD2 3.92Å; L347-L349 HydrophobicContact CG-CG 3.99Å; L349-F363 HydrophobicContact CD1-CD1 3.89Å; L349-F363 HydrophobicContact CD1-CD2 4.18Å; L349-F363 HydrophobicContact CD1-CE1 3.66Å; L349-F363 HydrophobicContact CD1-CE2 3.96Å; L349-F363 HydrophobicContact CD1-CG 4.13Å; L349-F363 HydrophobicContact CD1-CZ 3.69Å; L349-V376 HydrophobicContact CD1-CG1 3.76Å; L349-V376 HydrophobicContact CG-CG1 4.27Å; L349-V377 PolarHBondContact N-O 2.89Å; L349-F378 HydrophobicContact CB-CD1 3.9Å; L349-F378 HydrophobicContact CB-CE1 3.92Å; L349-F378 HydrophobicContact CD1-CE1 3.74Å; L349-F378 HydrophobicContact CD1-CZ 4.01Å; L349-F378 HydrophobicContact CG-CE1 4.47Å; L349-F378 CarbonylContact O-C 3.53Å; L349-F378 VanDerWaalsContact O-CA 3.25Å; L349-F378 WeakPolarHBondContact O-CA 3.35Å; L349-L379 PolarHBondContact O-N 2.92Å; L349-A398 CarbonylContact C-O 3.54Å; L349-A398 WeakPolarHBondContact CA-O 3.18Å; L349-A398 HydrophobicContact CD2-CB 3.96Å; L349-I400 HydrophobicContact CD1-CD1 3.92Å; L349-I400 HydrophobicContact CD2-CD1 4.1Å; L349-I400 HydrophobicContact CD2-CG1 4.44Å; L349-I502 HydrophobicContact CD2-CD1 3.79Å
350	A	91.6	Very high	77.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	143.1	165.1	0	0	0	0	0	110.7	L379 K387 V396 A398 F399 I400	A350-L379 CarbonylContact C-O 3.57Å; A350-L379 VanDerWaalsContact CA-O 3.3Å; A350-L379 WeakPolarHBondContact CA-O 3.39Å; A350-L379 HydrophobicContact CB-CD2 3.89Å; A350-K387 HydrophobicContact CB-CB 4.19Å; A350-K387 HydrophobicContact CB-CD 4.37Å; A350-K387 HydrophobicContact CB-CG 4.19Å; A350-V396 HydrophobicContact CB-CB 4.49Å; A350-V396 HydrophobicContact CB-CG1 4.29Å; A350-V396 HydrophobicContact CB-CG2 3.94Å; A350-A398 PolarHBondContact N-O 2.89Å; A350-F399 HydrophobicContact CB-CB 3.94Å; A350-F399 HydrophobicContact CB-CD2 4.09Å; A350-F399 HydrophobicContact CB-CG 4.32Å; A350-F399 WeakPolarHBondContact O-CD2 3.4Å; A350-I400 PolarHBondContact O-N 3.48Å
351	C	89.7	Confident	79.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163	176	67	0	0	0	0	113.1	L359 F378 L379 S380	C351-L359 HydrophobicContact CB-CD1 3.35Å; C351-F378 HydrophobicContact CB-CD1 4.28Å; C351-L379 PolarHBondContact N-O 3.08Å; C351-S380 WeakPolarHBondContact O-CA 3.46Å; C351-S380 PolarHBondContact O-OG 3.19Å
352	S	83.7	Confident	81.4	Confident	15 Å²	15	52.3 Å²	52.3	11%	0.105	27%	0.273	C	S	.	.			trans	-75.2	145	169.2	71.9	0	0	0	0	110.7	V354 E355 F356	S352-V354 PolarHBondContact O-N 3.42Å; S352-V354 WeakPolarHBondContact OG-CG2 3.41Å; S352-E355 PolarHBondContact O-N 2.91Å; S352-E355 WeakPolarHBondContact OG-CB 3.46Å; S352-E355 VanDerWaalsContact OG-CG 3.26Å; S352-E355 WeakPolarHBondContact OG-CG 3.19Å; S352-E355 PolarHBondContact OG-N 3.12Å; S352-E355 PolarHBondContact OG-OE2 3.31Å; S352-F356 PolarHBondContact O-N 2.91Å
353	S	78.7	Confident	83.1	Confident	53 Å²	53	47.2 Å²	47.2	37%	0.371	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59.9	-32.9	-178.9	55.1	0	0	0	0	112.6	E355 F356 S380	S353-E355 VanDerWaalsContact C-N 3.26Å; S353-E355 PolarHBondContact O-N 2.95Å; S353-F356 PolarHBondContact O-N 3.33Å; S353-S380 VanDerWaalsContact CA-OG 3.29Å; S353-S380 WeakPolarHBondContact CA-OG 3.34Å; S353-S380 WeakPolarHBondContact CB-OG 3.34Å; S353-S380 PolarHBondContact N-OG 3.47Å; S353-S380 VanDerWaalsContact N-OG 3.16Å
354	V	79.9	Confident	84	Confident	116 Å²	116	43 Å²	43	70%	0.703	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-69.2	-20.3	176.3	-63.4	0	0	0	0	113.5	S352	S352-V354 PolarHBondContact O-N 3.42Å; S352-V354 WeakPolarHBondContact OG-CG2 3.41Å
355	E	85.6	Confident	84.8	Confident	3 Å²	3	43 Å²	43	1%	0.014	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-100.8	-8.4	178.4	-71	-179.5	113.4	0	0	113.8	S352 S353 S357 R358 L359 L401 M402 E403	S352-E355 PolarHBondContact O-N 2.91Å; S352-E355 WeakPolarHBondContact OG-CB 3.46Å; S352-E355 VanDerWaalsContact OG-CG 3.26Å; S352-E355 WeakPolarHBondContact OG-CG 3.19Å; S352-E355 PolarHBondContact OG-N 3.12Å; S352-E355 PolarHBondContact OG-OE2 3.31Å; S353-E355 VanDerWaalsContact C-N 3.26Å; S353-E355 PolarHBondContact O-N 2.95Å; E355-S357 PolarHBondContact O-N 2.96Å; E355-R358 WeakPolarHBondContact O-CB 3.3Å; E355-R358 PolarHBondContact O-N 2.7Å; E355-R358 VanDerWaalsContact O-N 3.09Å; E355-R358 IonicContact OE1-CZ 3.93Å; E355-R358 IonicContact OE1-NH2 3.55Å; E355-R358 PolarHBondContact OE1-NH2 2.84Å; E355-L359 HydrophobicContact CB-CD1 4.06Å; E355-L359 HydrophobicContact CB-CG 4.36Å; E355-L359 PolarHBondContact O-N 2.92Å; E355-L401 WeakPolarHBondContact OE2-CD1 3.44Å; E355-M402 WeakPolarHBondContact OE1-CA 3.37Å; E355-M402 PolarHBondContact OE1-N 3.37Å; E355-E403 HydrophobicContact CG-CG 4.31Å; E355-E403 PolarHBondContact OE1-N 3.48Å
356	F	83	Confident	85.4	Confident	43 Å²	43	40.6 Å²	40.6	19%	0.189	22%	0.218	C	C	.	.	H	α-helix	trans	-49.7	-58.8	-173.8	171.8	-113.5	0	0	0	111.9	L226 S352 S353 R358 L359 T360 F378	L226-F356 HydrophobicContact CB-CD1 4.38Å; L226-F356 HydrophobicContact CB-CD2 3.9Å; L226-F356 HydrophobicContact CB-CE1 3.95Å; L226-F356 HydrophobicContact CB-CE2 3.42Å; L226-F356 VanDerWaalsContact CB-CE2 3.42Å; L226-F356 HydrophobicContact CB-CG 4.36Å; L226-F356 HydrophobicContact CB-CZ 3.47Å; L226-F356 VanDerWaalsContact CB-CZ 3.47Å; L226-F356 HydrophobicContact CD1-CB 4.4Å; L226-F356 HydrophobicContact CD1-CD2 3.25Å; L226-F356 HydrophobicContact CD1-CE2 3.61Å; L226-F356 HydrophobicContact CD1-CG 3.85Å; L226-F356 HydrophobicContact CD1-CZ 4.45Å; L226-F356 HydrophobicContact CD2-CB 4.21Å; L226-F356 HydrophobicContact CD2-CD1 3.76Å; L226-F356 HydrophobicContact CD2-CD2 3.9Å; L226-F356 HydrophobicContact CD2-CE1 4.12Å; L226-F356 HydrophobicContact CD2-CE2 4.25Å; L226-F356 HydrophobicContact CD2-CG 3.65Å; L226-F356 HydrophobicContact CD2-CZ 4.37Å; L226-F356 HydrophobicContact CG-CD1 4.48Å; L226-F356 HydrophobicContact CG-CD2 3.86Å; L226-F356 HydrophobicContact CG-CE2 3.93Å; L226-F356 HydrophobicContact CG-CG 4.16Å; L226-F356 HydrophobicContact CG-CZ 4.29Å; S352-F356 PolarHBondContact O-N 2.91Å; S353-F356 PolarHBondContact O-N 3.33Å; F356-R358 PolarHBondContact O-N 3.03Å; F356-R358 VanDerWaalsContact O-N 3.17Å; F356-L359 CarbonylContact O-C 3.32Å; F356-L359 PolarHBondContact O-N 3.37Å; F356-T360 WeakPolarHBondContact CD2-OG1 3.36Å; F356-T360 HydrophobicContact CE2-CG2 4.46Å; F356-T360 WeakPolarHBondContact CE2-OG1 3.13Å; F356-T360 HydrophobicContact CZ-CG2 4.21Å; F356-T360 WeakPolarHBondContact CZ-OG1 3.49Å; F356-T360 PolarHBondContact O-N 2.88Å; F356-T360 PolarHBondContact O-OG1 2.97Å; F356-F378 HydrophobicContact CD2-CB 3.93Å; F356-F378 HydrophobicContact CD2-CD2 4.36Å; F356-F378 HydrophobicContact CD2-CG 4.11Å; F356-F378 HydrophobicContact CE2-CB 3.85Å; F356-F378 AromaticContact CE2-CD2 3.9Å; F356-F378 HydrophobicContact CE2-CD2 3.9Å; F356-F378 HydrophobicContact CE2-CG 4.03Å
357	S	82.5	Confident	85.7	Confident	79 Å²	79	42.8 Å²	42.8	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-57	-38.4	-177.1	177	0	0	0	0	112.9	E355 N361	E355-S357 PolarHBondContact O-N 2.96Å; S357-N361 PolarHBondContact O-N 2.91Å; S357-N361 PolarHBondContact O-ND2 2.81Å
358	R	88.2	Confident	85.4	Confident	94 Å²	94	43.9 Å²	43.9	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-46	176.7	-179.6	172.9	67.8	-177.2	-13.6	111	E355 F356 L362 M402 E403	E355-R358 WeakPolarHBondContact O-CB 3.3Å; E355-R358 PolarHBondContact O-N 2.7Å; E355-R358 VanDerWaalsContact O-N 3.09Å; E355-R358 IonicContact OE1-CZ 3.93Å; E355-R358 IonicContact OE1-NH2 3.55Å; E355-R358 PolarHBondContact OE1-NH2 2.84Å; F356-R358 PolarHBondContact O-N 3.03Å; F356-R358 VanDerWaalsContact O-N 3.17Å; R358-L362 WeakPolarHBondContact O-CB 3.46Å; R358-L362 PolarHBondContact O-N 3.23Å; R358-L362 VanDerWaalsContact O-N 3.08Å; R358-M402 VanDerWaalsContact NH2-CB 3.27Å; R358-E403 IonicContact CZ-OE1 3.02Å; R358-E403 IonicContact NH1-OE1 2.8Å; R358-E403 PolarHBondContact NH1-OE1 3.47Å; R358-E403 IonicContact NH2-OE1 3.94Å; R358-E403 PolarHBondContact NH2-OE1 3.31Å
359	L	89.4	Confident	84.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.3	-39.1	-178.6	-67.1	172.4	0	0	0	111.7	C351 E355 F356 N361 L362 F363 F378 I400 M402	C351-L359 HydrophobicContact CB-CD1 3.35Å; E355-L359 HydrophobicContact CB-CD1 4.06Å; E355-L359 HydrophobicContact CB-CG 4.36Å; E355-L359 PolarHBondContact O-N 2.92Å; F356-L359 CarbonylContact O-C 3.32Å; F356-L359 PolarHBondContact O-N 3.37Å; L359-N361 VanDerWaalsContact C-N 3.31Å; L359-N361 PolarHBondContact O-N 3.11Å; L359-L362 PolarHBondContact O-N 2.94Å; L359-F363 HydrophobicContact CD2-CE2 4.28Å; L359-F363 WeakPolarHBondContact O-CD2 3.42Å; L359-F363 PolarHBondContact O-N 3.21Å; L359-F378 HydrophobicContact CB-CD1 4.36Å; L359-F378 HydrophobicContact CB-CE1 3.54Å; L359-F378 HydrophobicContact CB-CZ 3.78Å; L359-F378 HydrophobicContact CD1-CE1 4.24Å; L359-F378 HydrophobicContact CG-CE1 4.47Å; L359-I400 HydrophobicContact CD1-CB 4.5Å; L359-I400 HydrophobicContact CD2-CG2 4.05Å; L359-M402 HydrophobicContact CD2-CG 4.38Å
360	T	84	Confident	83.9	Confident	19 Å²	19	49 Å²	49	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-45.3	175.6	-40.7	0	0	0	0	111.6	T224 F356 L362 F363 H364	T224-T360 WeakPolarHBondContact O-CG2 2.96Å; F356-T360 WeakPolarHBondContact CD2-OG1 3.36Å; F356-T360 HydrophobicContact CE2-CG2 4.46Å; F356-T360 WeakPolarHBondContact CE2-OG1 3.13Å; F356-T360 HydrophobicContact CZ-CG2 4.21Å; F356-T360 WeakPolarHBondContact CZ-OG1 3.49Å; F356-T360 PolarHBondContact O-N 2.88Å; F356-T360 PolarHBondContact O-OG1 2.97Å; T360-L362 VanDerWaalsContact C-N 3.31Å; T360-L362 PolarHBondContact O-N 3.41Å; T360-F363 PolarHBondContact O-N 2.79Å; T360-H364 PolarHBondContact O-N 2.83Å
361	N	86.5	Confident	83.2	Confident	115 Å²	115	53.9 Å²	53.9	62%	0.615	29%	0.288	S	S	*	.	H	α-helix	trans	-64.1	-40	176.2	-71.4	-21.1	0	0	0	111.7	S357 L359 F363 H364	S357-N361 PolarHBondContact O-N 2.91Å; S357-N361 PolarHBondContact O-ND2 2.81Å; L359-N361 VanDerWaalsContact C-N 3.31Å; L359-N361 PolarHBondContact O-N 3.11Å; N361-F363 VanDerWaalsContact C-N 3.34Å; N361-H364 WeakPolarHBondContact O-CB 3.2Å; N361-H364 PolarHBondContact O-N 3.48Å
362	L	90.7	Very high	82.6	Confident	14 Å²	14	58 Å²	58	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-70.1	-32	-177.3	-166.6	141.7	0	0	0	112.5	R358 L359 T360 H505 I506 I509 Q510	R358-L362 WeakPolarHBondContact O-CB 3.46Å; R358-L362 PolarHBondContact O-N 3.23Å; R358-L362 VanDerWaalsContact O-N 3.08Å; L359-L362 PolarHBondContact O-N 2.94Å; T360-L362 VanDerWaalsContact C-N 3.31Å; T360-L362 PolarHBondContact O-N 3.41Å; L362-H505 PolarHBondContact O-NE2 2.9Å; L362-I506 HydrophobicContact CD1-CG2 4.24Å; L362-I506 HydrophobicContact CD2-CB 4.09Å; L362-I506 HydrophobicContact CD2-CG1 3.5Å; L362-I506 VanDerWaalsContact CD2-CG1 3.5Å; L362-I506 HydrophobicContact CD2-CG2 4.2Å; L362-I509 HydrophobicContact CG-CG2 4.23Å; L362-Q510 HydrophobicContact CD1-CG 4.39Å
363	F	89.8	Confident	82.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9.4	177.3	-76.4	-92.7	0	0	0	113.6	L347 L349 L359 T360 N361 N365 Y366 V376 F378 I400 I502 I506	L347-F363 HydrophobicContact CD2-CD1 4.36Å; L347-F363 HydrophobicContact CD2-CE1 4.17Å; L349-F363 HydrophobicContact CD1-CD1 3.89Å; L349-F363 HydrophobicContact CD1-CD2 4.18Å; L349-F363 HydrophobicContact CD1-CE1 3.66Å; L349-F363 HydrophobicContact CD1-CE2 3.96Å; L349-F363 HydrophobicContact CD1-CG 4.13Å; L349-F363 HydrophobicContact CD1-CZ 3.69Å; L359-F363 HydrophobicContact CD2-CE2 4.28Å; L359-F363 WeakPolarHBondContact O-CD2 3.42Å; L359-F363 PolarHBondContact O-N 3.21Å; T360-F363 PolarHBondContact O-N 2.79Å; N361-F363 VanDerWaalsContact C-N 3.34Å; F363-N365 PolarHBondContact O-N 3.31Å; F363-Y366 AromaticContact CD1-CD2 3.82Å; F363-Y366 HydrophobicContact CD1-CD2 3.82Å; F363-Y366 HydrophobicContact CD1-CE2 4.43Å; F363-Y366 HydrophobicContact CD1-CG 4.06Å; F363-Y366 HydrophobicContact CE1-CD2 4.13Å; F363-Y366 HydrophobicContact CE1-CE2 4.31Å; F363-Y366 WeakPolarHBondContact O-CB 3.42Å; F363-Y366 PolarHBondContact O-N 2.9Å; F363-Y366 VanDerWaalsContact O-N 3.11Å; F363-V376 HydrophobicContact CB-CG1 4.13Å; F363-V376 HydrophobicContact CB-CG2 4.32Å; F363-V376 HydrophobicContact CD1-CG1 4.39Å; F363-V376 HydrophobicContact CG-CG1 4.39Å; F363-F378 HydrophobicContact CB-CE2 4.37Å; F363-F378 HydrophobicContact CB-CZ 3.98Å; F363-F378 HydrophobicContact CD2-CE1 4.44Å; F363-F378 AromaticContact CD2-CZ 3.86Å; F363-F378 HydrophobicContact CD2-CZ 3.86Å; F363-F378 HydrophobicContact CG-CZ 4.07Å; F363-I400 HydrophobicContact CE2-CD1 3.72Å; F363-I400 HydrophobicContact CZ-CD1 3.45Å; F363-I400 VanDerWaalsContact CZ-CD1 3.45Å; F363-I502 HydrophobicContact CE1-CG1 4.37Å; F363-I502 HydrophobicContact CE1-CG2 4.33Å; F363-I502 HydrophobicContact CZ-CG2 3.91Å; F363-I506 HydrophobicContact CE2-CG1 4.41Å; F363-I506 HydrophobicContact CZ-CD1 4.32Å; F363-I506 HydrophobicContact CZ-CG1 4.17Å
364	H	83.5	Confident	82.3	Confident	103 Å²	103	59.5 Å²	59.5	48%	0.477	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	129.9	173.6	-170.2	68.2	0	0	0	110	T360 N361 Y366	T360-H364 PolarHBondContact O-N 2.83Å; N361-H364 WeakPolarHBondContact O-CB 3.2Å; N361-H364 PolarHBondContact O-N 3.48Å; H364-Y366 VanDerWaalsContact C-N 3.25Å; H364-Y366 PolarHBondContact O-N 3.42Å
365	N	82.5	Confident	82.2	Confident	100 Å²	100	54.5 Å²	54.5	54%	0.535	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	35.6	-172.7	-56.5	-43.6	0	0	0	114	F363 K367 L373	F363-N365 PolarHBondContact O-N 3.31Å; N365-K367 PolarHBondContact O-N 3.15Å; N365-L373 HydrophobicContact CB-CD2 4.27Å
366	Y	85.6	Confident	82.1	Confident	5 Å²	5	54.4 Å²	54.4	2%	0.02	28%	0.282	C	S	.	.			trans	-54.1	137.7	171.3	178.5	-107.1	0	0	0	111	L347 F363 H364 V374 V376 H505	L347-Y366 HydrophobicContact CB-CE1 4.31Å; L347-Y366 HydrophobicContact CD2-CD1 3.86Å; L347-Y366 HydrophobicContact CD2-CE1 3.51Å; L347-Y366 HydrophobicContact CD2-CE2 4.41Å; L347-Y366 HydrophobicContact CG-CE1 4.45Å; F363-Y366 AromaticContact CD1-CD2 3.82Å; F363-Y366 HydrophobicContact CD1-CD2 3.82Å; F363-Y366 HydrophobicContact CD1-CE2 4.43Å; F363-Y366 HydrophobicContact CD1-CG 4.06Å; F363-Y366 HydrophobicContact CE1-CD2 4.13Å; F363-Y366 HydrophobicContact CE1-CE2 4.31Å; F363-Y366 WeakPolarHBondContact O-CB 3.42Å; F363-Y366 PolarHBondContact O-N 2.9Å; F363-Y366 VanDerWaalsContact O-N 3.11Å; H364-Y366 VanDerWaalsContact C-N 3.25Å; H364-Y366 PolarHBondContact O-N 3.42Å; Y366-V374 HydrophobicContact CD1-CB 3.63Å; Y366-V374 HydrophobicContact CD1-CG1 3.8Å; Y366-V374 HydrophobicContact CD1-CG2 4.13Å; Y366-V374 HydrophobicContact CE1-CB 4Å; Y366-V374 HydrophobicContact CE1-CG1 3.95Å; Y366-V374 HydrophobicContact CE1-CG2 4.07Å; Y366-V374 PolarHBondContact O-N 2.92Å; Y366-V376 HydrophobicContact CD1-CG2 3.9Å; Y366-V376 HydrophobicContact CG-CG2 4.06Å; Y366-H505 HydrophobicContact CD2-CB 3.95Å; Y366-H505 AromaticContact CD2-CD2 3.74Å; Y366-H505 AromaticContact CD2-CE1 3.89Å; Y366-H505 AromaticContact CD2-CG 3.47Å; Y366-H505 VanDerWaalsContact CD2-CG 3.47Å; Y366-H505 AromaticContact CD2-ND1 3.59Å; Y366-H505 AromaticContact CD2-NE2 3.99Å; Y366-H505 HydrophobicContact CE2-CB 3.76Å; Y366-H505 AromaticContact CE2-CG 3.84Å
367	K	83.1	Confident	81.9	Confident	94 Å²	94	52.8 Å²	52.8	41%	0.409	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-127.2	144.5	177.3	-67.2	-179.2	174.1	-162.6	0	110.2	N365 Q371 D372 L373	N365-K367 PolarHBondContact O-N 3.15Å; K367-Q371 HydrophobicContact CD-CB 4.47Å; K367-Q371 WeakPolarHBondContact CD-O 3.28Å; K367-D372 WeakPolarHBondContact CA-O 3.5Å; K367-L373 HydrophobicContact CG-CD2 4.27Å
368	D	78.1	Confident	81.9	Confident	30 Å²	30	49 Å²	49	16%	0.16	25%	0.25	C	C	.	.			trans	-79	-173.2	172.6	71.8	0.8	0	0	0	112	N370 Q371 D372 V374	D368-N370 PolarHBondContact O-N 3.19Å; D368-N370 WeakPolarHBondContact OD1-CA 3.29Å; D368-N370 WeakPolarHBondContact OD1-CB 3.35Å; D368-N370 PolarHBondContact OD1-N 2.68Å; D368-Q371 PolarHBondContact O-N 3.25Å; D368-Q371 VanDerWaalsContact O-N 3.1Å; D368-Q371 PolarHBondContact OD1-N 3.42Å; D368-Q371 VanDerWaalsContact OD1-N 3.15Å; D368-D372 PolarHBondContact N-O 3.11Å; D368-D372 PolarHBondContact OD1-N 3.19Å; D368-V374 HydrophobicContact CB-CG2 3.74Å
369	A	72.2	Confident	81.6	Confident	36 Å²	36	44.8 Å²	44.8	30%	0.298	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.5	176.5	0	0	0	0	0	113.5	Q371 I450	A369-Q371 PolarHBondContact O-N 2.89Å; A369-I450 HydrophobicContact CB-CD1 4.4Å
370	N	73.3	Confident	81.2	Confident	109 Å²	109	44.8 Å²	44.8	58%	0.583	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	1.1	178.1	-63.3	-34.7	0	0	0	112.9	D368 D372	D368-N370 PolarHBondContact O-N 3.19Å; D368-N370 WeakPolarHBondContact OD1-CA 3.29Å; D368-N370 WeakPolarHBondContact OD1-CB 3.35Å; D368-N370 PolarHBondContact OD1-N 2.68Å; N370-D372 PolarHBondContact O-N 3.2Å
371	Q	76.8	Confident	81.1	Confident	103 Å²	103	44 Å²	44	48%	0.481	23%	0.229	S	C	.	.			trans	68.2	15	-174.4	-56.5	-65.4	-52.2	0	0	114	K367 D368 A369	K367-Q371 HydrophobicContact CD-CB 4.47Å; K367-Q371 WeakPolarHBondContact CD-O 3.28Å; D368-Q371 PolarHBondContact O-N 3.25Å; D368-Q371 VanDerWaalsContact O-N 3.1Å; D368-Q371 PolarHBondContact OD1-N 3.42Å; D368-Q371 VanDerWaalsContact OD1-N 3.15Å; A369-Q371 PolarHBondContact O-N 2.89Å
372	D	78	Confident	80.9	Confident	88 Å²	88	39.5 Å²	39.5	47%	0.471	21%	0.207	S	C	.	.			trans	-78.6	141	176.3	-68.9	-40.1	0	0	0	109.7	K367 D368 N370 V374	K367-D372 WeakPolarHBondContact CA-O 3.5Å; D368-D372 PolarHBondContact N-O 3.11Å; D368-D372 PolarHBondContact OD1-N 3.19Å; N370-D372 PolarHBondContact O-N 3.2Å; D372-V374 PolarHBondContact O-N 3.38Å
373	L	77.2	Confident	80.8	Confident	85 Å²	85	39.2 Å²	39.2	45%	0.445	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-68.7	127.9	174.5	-80.7	165.7	0	0	0	109.3	N365 K367	N365-L373 HydrophobicContact CB-CD2 4.27Å; K367-L373 HydrophobicContact CG-CD2 4.27Å
374	V	78.3	Confident	81	Confident	14 Å²	14	39.8 Å²	39.8	9%	0.085	21%	0.212	C	C	.	.			trans	-112.8	134.9	-177.8	173.5	0	0	0	0	108.4	P345 L347 Y366 D368 D372	P345-V374 HydrophobicContact CB-CG2 4.32Å; P345-V374 HydrophobicContact CG-CB 4.35Å; P345-V374 HydrophobicContact CG-CG2 3.68Å; P345-V374 WeakPolarHBondContact O-CA 3.13Å; P345-V374 WeakPolarHBondContact O-CG1 3.43Å; L347-V374 HydrophobicContact CB-CG1 3.7Å; Y366-V374 HydrophobicContact CD1-CB 3.63Å; Y366-V374 HydrophobicContact CD1-CG1 3.8Å; Y366-V374 HydrophobicContact CD1-CG2 4.13Å; Y366-V374 HydrophobicContact CE1-CB 4Å; Y366-V374 HydrophobicContact CE1-CG1 3.95Å; Y366-V374 HydrophobicContact CE1-CG2 4.07Å; Y366-V374 PolarHBondContact O-N 2.92Å; D368-V374 HydrophobicContact CB-CG2 3.74Å; D372-V374 PolarHBondContact O-N 3.38Å
375	N	78.8	Confident	81.6	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.053	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.9	172.7	-69.4	-18.6	0	0	0	109.1	P223 P345 I346 L347	P223-N375 HydrophobicContact CB-CB 3.85Å; P223-N375 VanDerWaalsContact CB-CG 3.41Å; P223-N375 WeakPolarHBondContact CB-OD1 3.31Å; P345-N375 PolarHBondContact O-N 3.26Å; I346-N375 CarbonylContact C-O 3.51Å; I346-N375 WeakPolarHBondContact CA-O 3.39Å; I346-N375 HydrophobicContact CG1-CB 4.42Å; L347-N375 PolarHBondContact N-O 3.44Å
376	V	81.8	Confident	82.1	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.2	-175.2	-173.9	0	0	0	0	110.3	P223 T224 L347 L349 F363 Y366 F378	P223-V376 CarbonylContact O-C 3.6Å; P223-V376 PolarHBondContact O-N 3.49Å; P223-V376 VanDerWaalsContact O-N 3.08Å; T224-V376 WeakPolarHBondContact CA-O 3.48Å; L347-V376 HydrophobicContact CB-CG2 4.46Å; L347-V376 CarbonylContact O-C 3.48Å; L347-V376 WeakPolarHBondContact O-CA 3.37Å; L349-V376 HydrophobicContact CD1-CG1 3.76Å; L349-V376 HydrophobicContact CG-CG1 4.27Å; F363-V376 HydrophobicContact CB-CG1 4.13Å; F363-V376 HydrophobicContact CB-CG2 4.32Å; F363-V376 HydrophobicContact CD1-CG1 4.39Å; F363-V376 HydrophobicContact CG-CG1 4.39Å; Y366-V376 HydrophobicContact CD1-CG2 3.9Å; Y366-V376 HydrophobicContact CG-CG2 4.06Å; V376-F378 HydrophobicContact CB-CE2 4.49Å; V376-F378 HydrophobicContact CG1-CD2 4.28Å; V376-F378 HydrophobicContact CG1-CE2 3.69Å; V376-F378 HydrophobicContact CG1-CZ 3.88Å
377	V	79.8	Confident	82.4	Confident	9 Å²	9	31.3 Å²	31.3	6%	0.055	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.9	178.5	-161.8	0	0	0	0	109.1	F219 I227 I346 L347 L349	F219-V377 HydrophobicContact CD2-CG1 4.12Å; F219-V377 HydrophobicContact CD2-CG2 4.48Å; F219-V377 HydrophobicContact CE2-CB 4.06Å; F219-V377 HydrophobicContact CE2-CG1 3.83Å; F219-V377 HydrophobicContact CE2-CG2 3.42Å; F219-V377 VanDerWaalsContact CE2-CG2 3.42Å; F219-V377 HydrophobicContact CZ-CG2 3.86Å; I227-V377 HydrophobicContact CD1-CG1 3.67Å; I227-V377 HydrophobicContact CG1-CG1 4.11Å; I346-V377 HydrophobicContact CG2-CG2 3.41Å; I346-V377 VanDerWaalsContact CG2-CG2 3.41Å; L347-V377 PolarHBondContact O-N 3.15Å; L349-V377 PolarHBondContact N-O 2.89Å
378	F	83.2	Confident	83.1	Confident	1 Å²	1	26.8 Å²	26.8	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.3	172.6	-73	-81.8	0	0	0	110.7	S225 L226 I227 L349 C351 F356 L359 F363 V376	S225-F378 PolarHBondContact O-N 2.77Å; L226-F378 CarbonylContact C-O 3.55Å; L226-F378 WeakPolarHBondContact CA-O 3.47Å; L226-F378 HydrophobicContact CD1-CB 3.58Å; L226-F378 WeakPolarHBondContact CD1-O 3.26Å; I227-F378 PolarHBondContact N-O 2.84Å; L349-F378 HydrophobicContact CB-CD1 3.9Å; L349-F378 HydrophobicContact CB-CE1 3.92Å; L349-F378 HydrophobicContact CD1-CE1 3.74Å; L349-F378 HydrophobicContact CD1-CZ 4.01Å; L349-F378 HydrophobicContact CG-CE1 4.47Å; L349-F378 CarbonylContact O-C 3.53Å; L349-F378 VanDerWaalsContact O-CA 3.25Å; L349-F378 WeakPolarHBondContact O-CA 3.35Å; C351-F378 HydrophobicContact CB-CD1 4.28Å; F356-F378 HydrophobicContact CD2-CB 3.93Å; F356-F378 HydrophobicContact CD2-CD2 4.36Å; F356-F378 HydrophobicContact CD2-CG 4.11Å; F356-F378 HydrophobicContact CE2-CB 3.85Å; F356-F378 AromaticContact CE2-CD2 3.9Å; F356-F378 HydrophobicContact CE2-CD2 3.9Å; F356-F378 HydrophobicContact CE2-CG 4.03Å; L359-F378 HydrophobicContact CB-CD1 4.36Å; L359-F378 HydrophobicContact CB-CE1 3.54Å; L359-F378 HydrophobicContact CB-CZ 3.78Å; L359-F378 HydrophobicContact CD1-CE1 4.24Å; L359-F378 HydrophobicContact CG-CE1 4.47Å; F363-F378 HydrophobicContact CB-CE2 4.37Å; F363-F378 HydrophobicContact CB-CZ 3.98Å; F363-F378 HydrophobicContact CD2-CE1 4.44Å; F363-F378 AromaticContact CD2-CZ 3.86Å; F363-F378 HydrophobicContact CD2-CZ 3.86Å; F363-F378 HydrophobicContact CG-CZ 4.07Å; V376-F378 HydrophobicContact CB-CE2 4.49Å; V376-F378 HydrophobicContact CG1-CD2 4.28Å; V376-F378 HydrophobicContact CG1-CE2 3.69Å; V376-F378 HydrophobicContact CG1-CZ 3.88Å
379	L	81.2	Confident	83.8	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.1	164.2	174.8	151.8	0	0	0	108.5	F229 F331 L349 A350 C351 K387 V396	F229-L379 HydrophobicContact CD2-CD1 3.8Å; F229-L379 HydrophobicContact CD2-CD2 4.19Å; F229-L379 HydrophobicContact CD2-CG 3.52Å; F229-L379 HydrophobicContact CE1-CD1 4.26Å; F229-L379 HydrophobicContact CE2-CB 4.21Å; F229-L379 HydrophobicContact CE2-CD1 3.26Å; F229-L379 HydrophobicContact CE2-CD2 4.4Å; F229-L379 HydrophobicContact CE2-CG 3.32Å; F229-L379 HydrophobicContact CZ-CD1 3.57Å; F229-L379 HydrophobicContact CZ-CG 4.16Å; F331-L379 HydrophobicContact CE2-CD1 3.97Å; F331-L379 HydrophobicContact CZ-CD1 3.7Å; L349-L379 PolarHBondContact O-N 2.92Å; A350-L379 CarbonylContact C-O 3.57Å; A350-L379 VanDerWaalsContact CA-O 3.3Å; A350-L379 WeakPolarHBondContact CA-O 3.39Å; A350-L379 HydrophobicContact CB-CD2 3.89Å; C351-L379 PolarHBondContact N-O 3.08Å; L379-K387 HydrophobicContact CD2-CG 4.48Å; L379-V396 HydrophobicContact CB-CG1 3.98Å; L379-V396 HydrophobicContact CD1-CG1 4.04Å; L379-V396 HydrophobicContact CG-CG1 4.49Å
380	S	81.6	Confident	84.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.2	170.9	-167.4	0	0	0	0	111.6	I227 R228 F229 C351 S353	I227-S380 PolarHBondContact O-N 3.34Å; R228-S380 CarbonylContact C-O 3.51Å; F229-S380 PolarHBondContact N-O 2.91Å; C351-S380 WeakPolarHBondContact O-CA 3.46Å; C351-S380 PolarHBondContact O-OG 3.19Å; S353-S380 VanDerWaalsContact CA-OG 3.29Å; S353-S380 WeakPolarHBondContact CA-OG 3.34Å; S353-S380 WeakPolarHBondContact CB-OG 3.34Å; S353-S380 PolarHBondContact N-OG 3.47Å; S353-S380 VanDerWaalsContact N-OG 3.16Å
381	S	80.1	Confident	85.5	Confident	3 Å²	3	18.7 Å²	18.7	2%	0.021	10%	0.101	C	C	.	.			trans	-142.9	159.7	175.6	76	0	0	0	0	110.7	F386 K387	S381-F386 WeakPolarHBondContact OG-CD1 3.27Å; S381-K387 PolarHBondContact O-NZ 3.09Å; S381-K387 VanDerWaalsContact OG-CG 3.22Å; S381-K387 WeakPolarHBondContact OG-CG 3.38Å
382	S	83.1	Confident	86.3	Confident	21 Å²	21	13.8 Å²	13.8	15%	0.147	8%	0.078	C	C	.	.	S	Bend	trans	-72.6	169.7	160.1	28.8	0	0	0	0	110.6	S181 D184 H231 N236	S181-S382 WeakPolarHBondContact OG-CB 3.47Å; D184-S382 PolarHBondContact OD1-OG 3.4Å; D184-S382 VanDerWaalsContact OD1-OG 3.09Å; D184-S382 WeakPolarHBondContact OD2-CB 3.27Å; D184-S382 PolarHBondContact OD2-OG 3.47Å; H231-S382 PolarHBondContact CE1-N 3.3Å; H231-S382 PolarHBondContact ND1-OG 3.08Å; N236-S382 PolarHBondContact ND2-OG 2.97Å
383	G	89.4	Confident	86.7	Confident	8 Å²	8	10.5 Å²	10.5	8%	0.082	6%	0.061	C	C	.	.			trans	75.3	114.6	-175	0	0	0	0	0	113.6	D180 S181 K387	D180-G383 VanDerWaalsContact OD2-CA 3.3Å; D180-G383 WeakPolarHBondContact OD2-CA 3.27Å; S181-G383 PolarHBondContact OG-N 3.36Å; G383-K387 PolarHBondContact O-N 3.35Å; G383-K387 PolarHBondContact O-NZ 3.25Å
384	A	93.7	Very high	87	Confident	12 Å²	12	7.5 Å²	7.5	10%	0.099	5%	0.045	C	C	.	.	H	α-helix	trans	-72.5	-36.3	174.8	0	0	0	0	0	110.7	D180 Q388 T406 D410	D180-A384 PolarHBondContact OD1-N 3.37Å; D180-A384 PolarHBondContact OD2-N 2.93Å; A384-Q388 WeakPolarHBondContact O-CG 3.34Å; A384-Q388 PolarHBondContact O-N 3Å; A384-Q388 PolarHBondContact O-NE2 3.27Å; A384-T406 HydrophobicContact CB-CG2 3.67Å; A384-D410 HydrophobicContact CB-CB 3.92Å
385	G	95.8	Very high	87.1	Confident	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-46.9	171.1	0	0	0	0	0	111.8	D180 K387 Q388 L389	D180-G385 VanDerWaalsContact CG-N 3.28Å; D180-G385 PolarHBondContact OD1-N 3.07Å; D180-G385 WeakPolarHBondContact OD2-CA 3.14Å; D180-G385 PolarHBondContact OD2-N 2.69Å; G385-K387 PolarHBondContact O-N 3.11Å; G385-Q388 PolarHBondContact O-N 3.19Å; G385-L389 WeakPolarHBondContact O-CB 3.46Å; G385-L389 PolarHBondContact O-N 2.94Å
386	F	92.7	Very high	87.4	Confident	16 Å²	16	6.6 Å²	6.6	7%	0.07	4%	0.04	C	C	.	.	H	α-helix	trans	-63.4	-39.9	178.7	-176.1	-103	0	0	0	113.8	D180 I235 N236 S381 Q388 L389 C390	D180-F386 PolarHBondContact OD2-N 3.13Å; I235-F386 HydrophobicContact CG1-CE2 4.42Å; I235-F386 WeakPolarHBondContact O-CD2 3.33Å; N236-F386 HydrophobicContact CB-CB 4.3Å; N236-F386 HydrophobicContact CB-CD1 4.37Å; N236-F386 HydrophobicContact CB-CG 4.24Å; N236-F386 WeakPolarHBondContact O-CB 3.48Å; N236-F386 WeakPolarHBondContact OD1-CD1 3.19Å; N236-F386 WeakPolarHBondContact OD1-CE1 3.46Å; S381-F386 WeakPolarHBondContact OG-CD1 3.27Å; F386-Q388 VanDerWaalsContact C-N 3.33Å; F386-Q388 PolarHBondContact O-N 3.06Å; F386-L389 HydrophobicContact CD2-CD2 4.37Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 PolarHBondContact O-N 2.83Å; F386-C390 PolarHBondContact O-N 2.77Å; F386-C390 PolarHBondContact O-SG 3.46Å
387	K	92.9	Very high	87.8	Confident	13 Å²	13	7.9 Å²	7.9	6%	0.057	5%	0.047	C	C	.	.	H	α-helix	trans	-63.2	-39.1	174.9	-76	-176	-70.4	-65.2	0	112.3	A350 L379 S381 G383 G385 C390 V391 F399	A350-K387 HydrophobicContact CB-CB 4.19Å; A350-K387 HydrophobicContact CB-CD 4.37Å; A350-K387 HydrophobicContact CB-CG 4.19Å; L379-K387 HydrophobicContact CD2-CG 4.48Å; S381-K387 PolarHBondContact O-NZ 3.09Å; S381-K387 VanDerWaalsContact OG-CG 3.22Å; S381-K387 WeakPolarHBondContact OG-CG 3.38Å; G383-K387 PolarHBondContact O-N 3.35Å; G383-K387 PolarHBondContact O-NZ 3.25Å; G385-K387 PolarHBondContact O-N 3.11Å; K387-C390 WeakPolarHBondContact O-CB 3.49Å; K387-C390 PolarHBondContact O-N 2.77Å; K387-V391 PolarHBondContact O-N 2.59Å; K387-F399 HydrophobicContact CB-CD1 4.04Å; K387-F399 HydrophobicContact CB-CD2 4.13Å; K387-F399 HydrophobicContact CB-CE1 4.19Å; K387-F399 HydrophobicContact CB-CE2 4.33Å; K387-F399 HydrophobicContact CB-CG 4.01Å; K387-F399 HydrophobicContact CB-CZ 4.36Å; K387-F399 HydrophobicContact CD-CD2 3.99Å; K387-F399 HydrophobicContact CD-CE2 3.69Å; K387-F399 HydrophobicContact CD-CZ 4.12Å
388	Q	96.4	Very high	88.5	Confident	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-71.6	-32.4	174.2	-68.3	170.5	96.2	0	0	111.9	A384 G385 F386 C390 V391 I392 F399 D410 P414 I418 A492	A384-Q388 WeakPolarHBondContact O-CG 3.34Å; A384-Q388 PolarHBondContact O-N 3Å; A384-Q388 PolarHBondContact O-NE2 3.27Å; G385-Q388 PolarHBondContact O-N 3.19Å; F386-Q388 VanDerWaalsContact C-N 3.33Å; F386-Q388 PolarHBondContact O-N 3.06Å; Q388-C390 VanDerWaalsContact C-N 3.27Å; Q388-C390 PolarHBondContact O-N 3.36Å; Q388-V391 WeakPolarHBondContact O-CB 3.42Å; Q388-V391 PolarHBondContact O-N 3.16Å; Q388-V391 VanDerWaalsContact O-N 3.08Å; Q388-I392 WeakPolarHBondContact O-CG1 3.22Å; Q388-I392 PolarHBondContact O-N 3.12Å; Q388-F399 HydrophobicContact CG-CD1 3.68Å; Q388-F399 HydrophobicContact CG-CE1 4.12Å; Q388-D410 PolarHBondContact NE2-O 3.43Å; Q388-P414 HydrophobicContact CB-CB 3.57Å; Q388-P414 HydrophobicContact CB-CG 4.19Å; Q388-P414 HydrophobicContact CG-CB 4.21Å; Q388-I418 HydrophobicContact CB-CD1 4.37Å; Q388-A492 HydrophobicContact CG-CB 4.33Å
389	L	93.2	Very high	89.2	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.2	-37.4	171.1	-179.6	60	0	0	0	111.3	T238 I256 F285 G385 F386 V391 I392 L393	T238-L389 HydrophobicContact CG2-CD2 4.5Å; I256-L389 HydrophobicContact CD1-CB 4.47Å; I256-L389 HydrophobicContact CD1-CD1 4.38Å; F285-L389 HydrophobicContact CD1-CD1 4.3Å; F285-L389 HydrophobicContact CD2-CD1 3.47Å; F285-L389 VanDerWaalsContact CD2-CD1 3.47Å; F285-L389 HydrophobicContact CD2-CD2 4.34Å; F285-L389 HydrophobicContact CE1-CD1 4.36Å; F285-L389 HydrophobicContact CE2-CD1 3.54Å; F285-L389 HydrophobicContact CE2-CD2 3.94Å; F285-L389 HydrophobicContact CE2-CG 4.34Å; F285-L389 HydrophobicContact CG-CD1 3.86Å; F285-L389 HydrophobicContact CZ-CD1 3.99Å; G385-L389 WeakPolarHBondContact O-CB 3.46Å; G385-L389 PolarHBondContact O-N 2.94Å; F386-L389 HydrophobicContact CD2-CD2 4.37Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 PolarHBondContact O-N 2.83Å; L389-V391 VanDerWaalsContact C-N 3.32Å; L389-V391 PolarHBondContact O-N 2.91Å; L389-I392 HydrophobicContact CD1-CB 4.42Å; L389-I392 HydrophobicContact CD1-CG2 4.36Å; L389-I392 WeakPolarHBondContact O-CB 3.46Å; L389-I392 PolarHBondContact O-N 3.09Å; L389-L393 HydrophobicContact CD1-CD1 4Å; L389-L393 HydrophobicContact CD1-CG 4Å; L389-L393 HydrophobicContact CD2-CD1 4.43Å; L389-L393 HydrophobicContact CG-CD1 3.82Å; L389-L393 HydrophobicContact CG-CG 4.28Å; L389-L393 WeakPolarHBondContact O-CB 3.34Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 2.99Å
390	C	89.9	Confident	89.9	Confident	4 Å²	4	7.2 Å²	7.2	3%	0.027	4%	0.043	C	C	.	.	H	α-helix	trans	-61	-39.7	171.9	-61.5	0	0	0	0	111.7	F386 K387 Q388 L393 D394 E395 V396	F386-C390 PolarHBondContact O-N 2.77Å; F386-C390 PolarHBondContact O-SG 3.46Å; K387-C390 WeakPolarHBondContact O-CB 3.49Å; K387-C390 PolarHBondContact O-N 2.77Å; Q388-C390 VanDerWaalsContact C-N 3.27Å; Q388-C390 PolarHBondContact O-N 3.36Å; C390-L393 PolarHBondContact O-N 3.43Å; C390-D394 PolarHBondContact O-N 3.24Å; C390-E395 HydrophobicContact CB-CB 4.04Å; C390-E395 VanDerWaalsContact O-CB 3.27Å; C390-E395 WeakPolarHBondContact O-CB 3.24Å; C390-E395 PolarHBondContact O-N 3.48Å; C390-V396 HydrophobicContact CB-CG1 4.4Å; C390-V396 HydrophobicContact CB-CG2 3.81Å; C390-V396 PolarHBondContact O-N 3.21Å
391	V	92.4	Very high	90.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.4	-43.1	173.8	-179.9	0	0	0	0	111	K387 Q388 L389 L393 D394 V396 F399 I418 A492 R494	K387-V391 PolarHBondContact O-N 2.59Å; Q388-V391 WeakPolarHBondContact O-CB 3.42Å; Q388-V391 PolarHBondContact O-N 3.16Å; Q388-V391 VanDerWaalsContact O-N 3.08Å; L389-V391 VanDerWaalsContact C-N 3.32Å; L389-V391 PolarHBondContact O-N 2.91Å; V391-L393 VanDerWaalsContact C-N 3.32Å; V391-L393 PolarHBondContact O-N 2.92Å; V391-D394 PolarHBondContact O-N 3.05Å; V391-D394 VanDerWaalsContact O-N 3.14Å; V391-V396 HydrophobicContact CB-CG2 4.42Å; V391-V396 HydrophobicContact CG2-CG2 3.67Å; V391-F399 HydrophobicContact CG2-CB 3.74Å; V391-I418 HydrophobicContact CB-CD1 4.31Å; V391-I418 HydrophobicContact CG1-CD1 4.15Å; V391-I418 HydrophobicContact CG1-CG1 4.45Å; V391-A492 HydrophobicContact CG2-CB 4.48Å; V391-R494 HydrophobicContact CG1-CB 4.36Å
392	I	92.6	Very high	91.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.9	-45.3	178.8	-73	163	0	0	0	110.8	I256 N305 Q388 L389 D394 P414 I417 I418 L421	I256-I392 HydrophobicContact CD1-CD1 3.44Å; I256-I392 VanDerWaalsContact CD1-CD1 3.44Å; N305-I392 HydrophobicContact CB-CG2 4.11Å; N305-I392 VanDerWaalsContact ND2-C 3.3Å; N305-I392 WeakPolarHBondContact ND2-CG2 3.48Å; N305-I392 PolarHBondContact ND2-O 3.43Å; Q388-I392 WeakPolarHBondContact O-CG1 3.22Å; Q388-I392 PolarHBondContact O-N 3.12Å; L389-I392 HydrophobicContact CD1-CB 4.42Å; L389-I392 HydrophobicContact CD1-CG2 4.36Å; L389-I392 WeakPolarHBondContact O-CB 3.46Å; L389-I392 PolarHBondContact O-N 3.09Å; I392-D394 PolarHBondContact O-N 2.87Å; I392-P414 HydrophobicContact CD1-CB 4.22Å; I392-I417 HydrophobicContact CB-CG2 4.44Å; I392-I417 HydrophobicContact CD1-CB 3.75Å; I392-I417 HydrophobicContact CD1-CD1 4.21Å; I392-I417 HydrophobicContact CD1-CG2 3.8Å; I392-I417 HydrophobicContact CG1-CB 4.19Å; I392-I417 HydrophobicContact CG1-CG2 3.89Å; I392-I417 HydrophobicContact CG2-CG2 3.68Å; I392-I418 HydrophobicContact CD1-CG1 4.13Å; I392-I418 HydrophobicContact CG1-CD1 4.25Å; I392-I418 HydrophobicContact CG1-CG1 3.48Å; I392-I418 VanDerWaalsContact CG1-CG1 3.48Å; I392-L421 HydrophobicContact CG2-CD1 4.16Å
393	L	86.8	Confident	91.4	Very high	20 Å²	20	10.2 Å²	10.2	11%	0.105	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-1.7	179.6	-70.6	172.6	0	0	0	113.5	F285 N305 L389 C390 V391 E395	F285-L393 HydrophobicContact CD1-CD2 4.48Å; F285-L393 HydrophobicContact CE1-CD2 3.56Å; F285-L393 HydrophobicContact CE1-CG 4.41Å; F285-L393 HydrophobicContact CZ-CD1 4.35Å; F285-L393 HydrophobicContact CZ-CD2 3.84Å; F285-L393 HydrophobicContact CZ-CG 4.43Å; N305-L393 WeakPolarHBondContact ND2-CA 3.46Å; L389-L393 HydrophobicContact CD1-CD1 4Å; L389-L393 HydrophobicContact CD1-CG 4Å; L389-L393 HydrophobicContact CD2-CD1 4.43Å; L389-L393 HydrophobicContact CG-CD1 3.82Å; L389-L393 HydrophobicContact CG-CG 4.28Å; L389-L393 WeakPolarHBondContact O-CB 3.34Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 2.99Å; C390-L393 PolarHBondContact O-N 3.43Å; V391-L393 VanDerWaalsContact C-N 3.32Å; V391-L393 PolarHBondContact O-N 2.92Å; L393-E395 HydrophobicContact CB-CG 3.45Å; L393-E395 VanDerWaalsContact CB-CG 3.45Å; L393-E395 HydrophobicContact CD1-CG 4.48Å; L393-E395 PolarHBondContact O-N 3.47Å
394	D	83.9	Confident	91.5	Very high	22 Å²	22	10.6 Å²	10.6	12%	0.118	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	21.7	179.6	-148.2	43.5	0	0	0	113.2	L324 K348 C390 V391 I392 R494	L324-D394 HydrophobicContact CD1-CB 4.07Å; L324-D394 WeakPolarHBondContact CD1-O 3.43Å; L324-D394 WeakPolarHBondContact CD1-OD2 3.31Å; L324-D394 HydrophobicContact CD2-CB 3.56Å; L324-D394 HydrophobicContact CG-CB 4.42Å; K348-D394 PolarHBondContact NZ-O 3.5Å; C390-D394 PolarHBondContact O-N 3.24Å; V391-D394 PolarHBondContact O-N 3.05Å; V391-D394 VanDerWaalsContact O-N 3.14Å; I392-D394 PolarHBondContact O-N 2.87Å; D394-R494 WeakPolarHBondContact OD1-CD 3.4Å; D394-R494 IonicContact OD1-NH1 3.41Å; D394-R494 PolarHBondContact OD1-NH1 2.97Å; D394-R494 IonicContact OD2-NH1 3.82Å; D394-R494 PolarHBondContact OD2-NH1 3.46Å
395	E	79	Confident	91.1	Very high	3 Å²	3	11.8 Å²	11.8	1%	0.014	6%	0.06	C	C	.	.	S	Bend	trans	-77.7	-33.1	-179.9	-61.6	-50.6	-172.4	0	0	112.1	F326 P327 K348 C390 L393	F326-E395 VanDerWaalsContact CA-OE1 3.25Å; F326-E395 WeakPolarHBondContact CA-OE1 3.3Å; F326-E395 HydrophobicContact CD1-CB 4.18Å; F326-E395 HydrophobicContact CD1-CG 3.56Å; F326-E395 WeakPolarHBondContact CD1-OE1 3.29Å; F326-E395 WeakPolarHBondContact CD1-OE2 3.15Å; F326-E395 WeakPolarHBondContact CD2-OE2 3.48Å; F326-E395 HydrophobicContact CE1-CB 3.26Å; F326-E395 HydrophobicContact CE1-CG 3.13Å; F326-E395 VanDerWaalsContact CE1-OE2 3.32Å; F326-E395 WeakPolarHBondContact CE1-OE2 3.23Å; F326-E395 HydrophobicContact CE2-CB 4.03Å; F326-E395 HydrophobicContact CE2-CG 4.21Å; F326-E395 WeakPolarHBondContact CE2-OE2 3.41Å; F326-E395 HydrophobicContact CG-CG 4.27Å; F326-E395 WeakPolarHBondContact CG-OE1 3.26Å; F326-E395 WeakPolarHBondContact CG-OE2 3.48Å; F326-E395 HydrophobicContact CZ-CB 3.14Å; F326-E395 HydrophobicContact CZ-CG 3.49Å; F326-E395 VanDerWaalsContact CZ-CG 3.49Å; F326-E395 WeakPolarHBondContact CZ-OE2 3.5Å; P327-E395 WeakPolarHBondContact CD-OE1 3.45Å; K348-E395 WeakPolarHBondContact CD-O 3.24Å; K348-E395 VanDerWaalsContact CE-O 3.26Å; K348-E395 WeakPolarHBondContact CE-O 3.47Å; K348-E395 PolarHBondContact NZ-O 3.3Å; C390-E395 HydrophobicContact CB-CB 4.04Å; C390-E395 VanDerWaalsContact O-CB 3.27Å; C390-E395 WeakPolarHBondContact O-CB 3.24Å; C390-E395 PolarHBondContact O-N 3.48Å; L393-E395 HydrophobicContact CB-CG 3.45Å; L393-E395 VanDerWaalsContact CB-CG 3.45Å; L393-E395 HydrophobicContact CD1-CG 4.48Å; L393-E395 PolarHBondContact O-N 3.47Å
396	V	86.7	Confident	91	Very high	1 Å²	1	12 Å²	12	1%	0.006	6%	0.061	C	C	.	.	S	Bend	trans	-127.7	150.6	168.6	-61.6	0	0	0	0	108.6	K348 A350 L379 C390 V391	K348-V396 HydrophobicContact CB-CB 4.28Å; K348-V396 HydrophobicContact CB-CG1 4.33Å; A350-V396 HydrophobicContact CB-CB 4.49Å; A350-V396 HydrophobicContact CB-CG1 4.29Å; A350-V396 HydrophobicContact CB-CG2 3.94Å; L379-V396 HydrophobicContact CB-CG1 3.98Å; L379-V396 HydrophobicContact CD1-CG1 4.04Å; L379-V396 HydrophobicContact CG-CG1 4.49Å; C390-V396 HydrophobicContact CB-CG1 4.4Å; C390-V396 HydrophobicContact CB-CG2 3.81Å; C390-V396 PolarHBondContact O-N 3.21Å; V391-V396 HydrophobicContact CB-CG2 4.42Å; V391-V396 HydrophobicContact CG2-CG2 3.67Å
397	D	89.4	Confident	91.2	Very high	29 Å²	29	12.6 Å²	12.6	16%	0.155	6%	0.064	C	C	.	.	S	Bend	trans	-74.7	-33.1	179.5	-58.7	-69.9	0	0	0	111.6	L347 K348 I498	L347-D397 HydrophobicContact CD1-CB 3.84Å; K348-D397 PolarHBondContact N-OD2 3.39Å; K348-D397 PolarHBondContact O-N 2.58Å; D397-I498 HydrophobicContact CB-CD1 4.3Å; D397-I498 HydrophobicContact CB-CG2 4.14Å
398	A	95.5	Very high	91.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.1	176.4	0	0	0	0	0	113	K348 L349 A350 L491 A492 I502	K348-A398 PolarHBondContact O-N 2.92Å; L349-A398 CarbonylContact C-O 3.54Å; L349-A398 WeakPolarHBondContact CA-O 3.18Å; L349-A398 HydrophobicContact CD2-CB 3.96Å; A350-A398 PolarHBondContact N-O 2.89Å; A398-L491 HydrophobicContact CB-CD1 3.85Å; A398-A492 CarbonylContact C-O 3.47Å; A398-A492 WeakPolarHBondContact CA-O 3.37Å; A398-A492 WeakPolarHBondContact CB-O 3.39Å; A398-I502 HydrophobicContact CB-CD1 3.81Å
399	F	96.1	Very high	91.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.5	164.8	164.3	-140.9	0	0	0	109	A350 K387 Q388 V391 L401 L490 L491 A492	A350-F399 HydrophobicContact CB-CB 3.94Å; A350-F399 HydrophobicContact CB-CD2 4.09Å; A350-F399 HydrophobicContact CB-CG 4.32Å; A350-F399 WeakPolarHBondContact O-CD2 3.4Å; K387-F399 HydrophobicContact CB-CD1 4.04Å; K387-F399 HydrophobicContact CB-CD2 4.13Å; K387-F399 HydrophobicContact CB-CE1 4.19Å; K387-F399 HydrophobicContact CB-CE2 4.33Å; K387-F399 HydrophobicContact CB-CG 4.01Å; K387-F399 HydrophobicContact CB-CZ 4.36Å; K387-F399 HydrophobicContact CD-CD2 3.99Å; K387-F399 HydrophobicContact CD-CE2 3.69Å; K387-F399 HydrophobicContact CD-CZ 4.12Å; Q388-F399 HydrophobicContact CG-CD1 3.68Å; Q388-F399 HydrophobicContact CG-CE1 4.12Å; V391-F399 HydrophobicContact CG2-CB 3.74Å; F399-L401 HydrophobicContact CE2-CB 4.04Å; F399-L401 HydrophobicContact CE2-CD1 4.23Å; F399-L401 HydrophobicContact CZ-CB 3.96Å; F399-L401 HydrophobicContact CZ-CD1 4.1Å; F399-L401 HydrophobicContact CZ-CG 4.45Å; F399-L490 HydrophobicContact CD1-CD1 3.75Å; F399-L490 HydrophobicContact CE1-CD1 3.72Å; F399-L490 HydrophobicContact CG-CD1 4.4Å; F399-L490 HydrophobicContact CZ-CD1 4.31Å; F399-L491 WeakPolarHBondContact O-CA 3.15Å; F399-A492 HydrophobicContact CB-CB 4.2Å; F399-A492 HydrophobicContact CD1-CB 4.38Å; F399-A492 PolarHBondContact N-O 2.97Å; F399-A492 PolarHBondContact O-N 3.34Å
400	I	96.2	Very high	91.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.2	-179.6	-46.9	-172.2	0	0	0	109.7	L349 A350 L359 F363 M402 L428 L491 I502	L349-I400 HydrophobicContact CD1-CD1 3.92Å; L349-I400 HydrophobicContact CD2-CD1 4.1Å; L349-I400 HydrophobicContact CD2-CG1 4.44Å; A350-I400 PolarHBondContact O-N 3.48Å; L359-I400 HydrophobicContact CD1-CB 4.5Å; L359-I400 HydrophobicContact CD2-CG2 4.05Å; F363-I400 HydrophobicContact CE2-CD1 3.72Å; F363-I400 HydrophobicContact CZ-CD1 3.45Å; F363-I400 VanDerWaalsContact CZ-CD1 3.45Å; I400-M402 HydrophobicContact CG2-SD 4.45Å; I400-L428 HydrophobicContact CG2-CD2 3.82Å; I400-L491 HydrophobicContact CD1-CD1 4.29Å; I400-L491 HydrophobicContact CG1-CD1 3.69Å; I400-I502 HydrophobicContact CD1-CG2 3.86Å
401	L	94.9	Very high	92	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	113.6	172.5	-169.1	85.8	0	0	0	108.2	E355 F399 E403 N405 T406 G489 L490	E355-L401 WeakPolarHBondContact OE2-CD1 3.44Å; F399-L401 HydrophobicContact CE2-CB 4.04Å; F399-L401 HydrophobicContact CE2-CD1 4.23Å; F399-L401 HydrophobicContact CZ-CB 3.96Å; F399-L401 HydrophobicContact CZ-CD1 4.1Å; F399-L401 HydrophobicContact CZ-CG 4.45Å; L401-E403 VanDerWaalsContact CD2-O 3.23Å; L401-E403 WeakPolarHBondContact CD2-O 3.45Å; L401-E403 VanDerWaalsContact CG-O 3.3Å; L401-E403 WeakPolarHBondContact CG-O 3.3Å; L401-N405 HydrophobicContact CD1-CB 4.5Å; L401-N405 HydrophobicContact CD2-CB 4.39Å; L401-T406 HydrophobicContact CD2-CG2 3.62Å; L401-G489 CarbonylContact O-C 3.46Å; L401-G489 WeakPolarHBondContact O-CA 3.37Å; L401-L490 HydrophobicContact CB-CD1 4.16Å; L401-L490 HydrophobicContact CB-CG 4.04Å; L401-L490 HydrophobicContact CD2-CG 4.36Å; L401-L490 PolarHBondContact N-O 3.25Å; L401-L490 PolarHBondContact O-N 3.4Å; L401-L490 VanDerWaalsContact O-O 3.12Å
402	M	92.9	Very high	92.3	Very high	11 Å²	11	12.7 Å²	12.7	5%	0.054	6%	0.064	C	C	.	.			trans	-93.4	-28.3	176.2	-31	-101.3	-64.7	0	0	112	E355 R358 L359 I400 L428 K429 L432 Q510	E355-M402 WeakPolarHBondContact OE1-CA 3.37Å; E355-M402 PolarHBondContact OE1-N 3.37Å; R358-M402 VanDerWaalsContact NH2-CB 3.27Å; L359-M402 HydrophobicContact CD2-CG 4.38Å; I400-M402 HydrophobicContact CG2-SD 4.45Å; M402-L428 HydrophobicContact CB-CD2 4.42Å; M402-L428 HydrophobicContact CG-CD2 4.17Å; M402-L428 HydrophobicContact SD-CD2 3.36Å; M402-L428 WeakPolarHBondContact SD-CD2 3.35Å; M402-L428 HydrophobicContact SD-CG 4.24Å; M402-K429 WeakPolarHBondContact O-CE 3.15Å; M402-K429 PolarHBondContact O-NZ 3.23Å; M402-K429 VanDerWaalsContact O-NZ 3.1Å; M402-L432 HydrophobicContact CE-CD1 4.49Å; M402-Q510 VanDerWaalsContact CE-NE2 3.3Å
403	E	90	Very high	92.6	Very high	71 Å²	71	12.7 Å²	12.7	33%	0.332	6%	0.064	S	C	.	.	S	Bend	trans	-76.6	149.5	174.6	-68	-41.8	127.7	0	0	111.9	E355 R358 L401 N405	E355-E403 HydrophobicContact CG-CG 4.31Å; E355-E403 PolarHBondContact OE1-N 3.48Å; R358-E403 IonicContact CZ-OE1 3.02Å; R358-E403 IonicContact NH1-OE1 2.8Å; R358-E403 PolarHBondContact NH1-OE1 3.47Å; R358-E403 IonicContact NH2-OE1 3.94Å; R358-E403 PolarHBondContact NH2-OE1 3.31Å; L401-E403 VanDerWaalsContact CD2-O 3.23Å; L401-E403 WeakPolarHBondContact CD2-O 3.45Å; L401-E403 VanDerWaalsContact CG-O 3.3Å; L401-E403 WeakPolarHBondContact CG-O 3.3Å; E403-N405 PolarHBondContact O-N 2.93Å
404	P	89.9	Confident	93.1	Very high	16 Å²	16	11.7 Å²	11.7	10%	0.104	6%	0.059	C	C	.	.	S	Bend	trans	-74.5	36.2	-176.1	31.1	-37.4	0	0	0	114.5	R51 T406 C485 N486	R51-P404 VanDerWaalsContact CZ-CG 3.45Å; R51-P404 VanDerWaalsContact NH1-C 3.27Å; R51-P404 PolarHBondContact NH1-O 2.76Å; R51-P404 VanDerWaalsContact NH2-CG 3.32Å; P404-T406 VanDerWaalsContact C-N 3.28Å; P404-T406 PolarHBondContact O-N 2.8Å; P404-C485 PolarHBondContact O-SG 2.86Å; P404-N486 WeakPolarHBondContact CA-O 3.35Å
405	N	86.9	Confident	93.8	Very high	37 Å²	37	10.7 Å²	10.7	20%	0.198	5%	0.054	C	C	.	.			trans	-84.4	8.2	-166.1	-66.7	-19.4	0	0	0	115.4	R51 L401 E403	R51-N405 WeakPolarHBondContact CD-OD1 3.17Å; L401-N405 HydrophobicContact CD1-CB 4.5Å; L401-N405 HydrophobicContact CD2-CB 4.39Å; E403-N405 PolarHBondContact O-N 2.93Å
406	T	93.6	Very high	94.6	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.025	5%	0.053	C	C	.	.			trans	-123.4	160.8	174.6	55.9	0	0	0	0	111.6	A384 L401 P404 D410 N486 L490	A384-T406 HydrophobicContact CB-CG2 3.67Å; L401-T406 HydrophobicContact CD2-CG2 3.62Å; P404-T406 VanDerWaalsContact C-N 3.28Å; P404-T406 PolarHBondContact O-N 2.8Å; T406-D410 WeakPolarHBondContact CA-OD2 3.46Å; T406-D410 VanDerWaalsContact CB-OD2 3.23Å; T406-D410 WeakPolarHBondContact CB-OD2 3.27Å; T406-D410 HydrophobicContact CG2-CB 4.43Å; T406-N486 WeakPolarHBondContact O-CB 3.5Å; T406-N486 PolarHBondContact O-N 2.97Å; T406-N486 PolarHBondContact OG1-ND2 3.28Å; T406-L490 WeakPolarHBondContact OG1-CD2 3.5Å
407	F	95.5	Very high	95.1	Very high	29 Å²	29	10.5 Å²	10.5	13%	0.127	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-118.2	173.2	175.7	-64.6	-99.2	0	0	0	110.8	N49 W409 D410 T411 C484 C485 N486	N49-F407 WeakPolarHBondContact ND2-CE2 3.45Å; F407-W409 VanDerWaalsContact C-N 3.28Å; F407-W409 HydrophobicContact CB-CD2 3.61Å; F407-W409 HydrophobicContact CB-CE3 4Å; F407-W409 HydrophobicContact CB-CG 4.22Å; F407-W409 HydrophobicContact CB-CH2 3.83Å; F407-W409 HydrophobicContact CB-CZ2 3.43Å; F407-W409 VanDerWaalsContact CB-CZ2 3.43Å; F407-W409 HydrophobicContact CB-CZ3 4.1Å; F407-W409 AromaticContact CD1-CH2 3.4Å; F407-W409 HydrophobicContact CD1-CH2 3.4Å; F407-W409 VanDerWaalsContact CD1-CH2 3.4Å; F407-W409 AromaticContact CD1-CZ2 3.48Å; F407-W409 HydrophobicContact CD1-CZ2 3.48Å; F407-W409 VanDerWaalsContact CD1-CZ2 3.48Å; F407-W409 HydrophobicContact CD1-CZ3 4.17Å; F407-W409 AromaticContact CD2-CZ2 3.81Å; F407-W409 HydrophobicContact CD2-CZ2 3.81Å; F407-W409 HydrophobicContact CE1-CH2 4.09Å; F407-W409 HydrophobicContact CE1-CZ2 4.16Å; F407-W409 HydrophobicContact CE2-CZ2 4.45Å; F407-W409 HydrophobicContact CG-CD2 4.43Å; F407-W409 AromaticContact CG-CE2 3.7Å; F407-W409 AromaticContact CG-CH2 3.7Å; F407-W409 HydrophobicContact CG-CH2 3.7Å; F407-W409 AromaticContact CG-CZ2 3.29Å; F407-W409 HydrophobicContact CG-CZ2 3.29Å; F407-W409 HydrophobicContact CG-CZ3 4.42Å; F407-W409 PolarHBondContact O-N 3.14Å; F407-D410 PolarHBondContact N-OD2 3.11Å; F407-D410 WeakPolarHBondContact O-CB 3.31Å; F407-D410 PolarHBondContact O-N 3.29Å; F407-T411 PolarHBondContact O-OG1 3.24Å; F407-C484 CarbonylContact C-O 3.49Å; F407-C484 VanDerWaalsContact CA-O 3.28Å; F407-C484 WeakPolarHBondContact CA-O 3.33Å; F407-C484 HydrophobicContact CD1-CB 4.3Å; F407-C485 HydrophobicContact CD1-CB 3.88Å; F407-C485 HydrophobicContact CE1-CB 3.67Å; F407-C485 HydrophobicContact CZ-CB 4.33Å; F407-N486 VanDerWaalsContact C-ND2 3.28Å; F407-N486 PolarHBondContact O-ND2 3.11Å
408	V	96.8	Very high	95.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64	-31.5	179.5	-70.2	0	0	0	0	112.9	W175 T411 C412 Y464 I466 C484	W175-V408 HydrophobicContact CD2-CG2 3.68Å; W175-V408 VanDerWaalsContact CE2-CG2 3.47Å; W175-V408 HydrophobicContact CE3-CG2 3.99Å; W175-V408 HydrophobicContact CG-CG2 4.27Å; W175-V408 HydrophobicContact CH2-CG2 3.93Å; W175-V408 HydrophobicContact CZ2-CG2 3.63Å; W175-V408 HydrophobicContact CZ3-CG2 4.1Å; V408-T411 PolarHBondContact O-N 3.4Å; V408-T411 PolarHBondContact O-OG1 2.87Å; V408-C412 WeakPolarHBondContact O-CB 3.4Å; V408-C412 PolarHBondContact O-N 3.33Å; V408-Y464 HydrophobicContact CB-CD1 3.74Å; V408-Y464 HydrophobicContact CB-CE1 3.98Å; V408-Y464 HydrophobicContact CG1-CD1 4.06Å; V408-Y464 HydrophobicContact CG1-CE1 4.27Å; V408-Y464 WeakPolarHBondContact O-CE1 3.27Å; V408-I466 HydrophobicContact CG1-CD1 3.52Å; V408-I466 HydrophobicContact CG1-CG1 4.48Å; V408-C484 HydrophobicContact CG2-CB 3.78Å; V408-C484 PolarHBondContact N-O 3.47Å
409	W	97.2	Very high	95.4	Very high	7 Å²	7	9.6 Å²	9.6	3%	0.027	5%	0.048	C	C	.	.	H	α-helix	trans	-66.6	-37	174.9	49.2	85.8	0	0	0	112.7	E86 W175 I176 D177 F407 T411 L481 C484	E86-W409 HydrophobicContact CB-CD2 4.2Å; E86-W409 HydrophobicContact CB-CG 4.37Å; E86-W409 HydrophobicContact CB-CZ2 4.08Å; E86-W409 HydrophobicContact CG-CZ2 3.91Å; E86-W409 PolarHBondContact OE2-NE1 3.41Å; W175-W409 HydrophobicContact CB-CB 4.41Å; W175-W409 HydrophobicContact CE3-CB 4.27Å; W175-W409 AromaticContact CE3-CE3 3.88Å; W175-W409 HydrophobicContact CE3-CE3 3.88Å; W175-W409 HydrophobicContact CH2-CE3 4.49Å; W175-W409 AromaticContact CZ3-CE3 3.65Å; W175-W409 HydrophobicContact CZ3-CE3 3.65Å; W175-W409 HydrophobicContact CZ3-CZ3 4.07Å; I176-W409 WeakPolarHBondContact O-CB 3.4Å; D177-W409 HydrophobicContact CB-CB 4.24Å; F407-W409 VanDerWaalsContact C-N 3.28Å; F407-W409 HydrophobicContact CB-CD2 3.61Å; F407-W409 HydrophobicContact CB-CE3 4Å; F407-W409 HydrophobicContact CB-CG 4.22Å; F407-W409 HydrophobicContact CB-CH2 3.83Å; F407-W409 HydrophobicContact CB-CZ2 3.43Å; F407-W409 VanDerWaalsContact CB-CZ2 3.43Å; F407-W409 HydrophobicContact CB-CZ3 4.1Å; F407-W409 AromaticContact CD1-CH2 3.4Å; F407-W409 HydrophobicContact CD1-CH2 3.4Å; F407-W409 VanDerWaalsContact CD1-CH2 3.4Å; F407-W409 AromaticContact CD1-CZ2 3.48Å; F407-W409 HydrophobicContact CD1-CZ2 3.48Å; F407-W409 VanDerWaalsContact CD1-CZ2 3.48Å; F407-W409 HydrophobicContact CD1-CZ3 4.17Å; F407-W409 AromaticContact CD2-CZ2 3.81Å; F407-W409 HydrophobicContact CD2-CZ2 3.81Å; F407-W409 HydrophobicContact CE1-CH2 4.09Å; F407-W409 HydrophobicContact CE1-CZ2 4.16Å; F407-W409 HydrophobicContact CE2-CZ2 4.45Å; F407-W409 HydrophobicContact CG-CD2 4.43Å; F407-W409 AromaticContact CG-CE2 3.7Å; F407-W409 AromaticContact CG-CH2 3.7Å; F407-W409 HydrophobicContact CG-CH2 3.7Å; F407-W409 AromaticContact CG-CZ2 3.29Å; F407-W409 HydrophobicContact CG-CZ2 3.29Å; F407-W409 HydrophobicContact CG-CZ3 4.42Å; F407-W409 PolarHBondContact O-N 3.14Å; W409-T411 PolarHBondContact O-N 3.41Å; W409-T411 VanDerWaalsContact O-N 3.14Å; W409-L481 HydrophobicContact CH2-CB 4.16Å; W409-L481 HydrophobicContact CH2-CD2 4.23Å; W409-L481 HydrophobicContact CZ3-CD2 3.95Å; W409-C484 HydrophobicContact CE3-CB 4.24Å; W409-C484 HydrophobicContact CH2-CB 4.09Å; W409-C484 HydrophobicContact CZ3-CB 3.47Å; W409-C484 VanDerWaalsContact CZ3-CB 3.47Å
410	D	97.7	Very high	95.2	Very high	12 Å²	12	9.6 Å²	9.6	6%	0.064	5%	0.048	C	C	.	.	H	α-helix	trans	-61.7	-23.3	174.6	-51	-13.4	0	0	0	113.8	L240 A384 Q388 T406 F407	L240-D410 WeakPolarHBondContact CD1-O 3.05Å; A384-D410 HydrophobicContact CB-CB 3.92Å; Q388-D410 PolarHBondContact NE2-O 3.43Å; T406-D410 WeakPolarHBondContact CA-OD2 3.46Å; T406-D410 VanDerWaalsContact CB-OD2 3.23Å; T406-D410 WeakPolarHBondContact CB-OD2 3.27Å; T406-D410 HydrophobicContact CG2-CB 4.43Å; F407-D410 PolarHBondContact N-OD2 3.11Å; F407-D410 WeakPolarHBondContact O-CB 3.31Å; F407-D410 PolarHBondContact O-N 3.29Å
411	T	98.3	Very high	94.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-118.9	-25.4	-166.5	58.5	0	0	0	0	114	F407 V408 W409 G413 P414 H415 I462 Y464 L490	F407-T411 PolarHBondContact O-OG1 3.24Å; V408-T411 PolarHBondContact O-N 3.4Å; V408-T411 PolarHBondContact O-OG1 2.87Å; W409-T411 PolarHBondContact O-N 3.41Å; W409-T411 VanDerWaalsContact O-N 3.14Å; T411-G413 PolarHBondContact O-N 2.8Å; T411-P414 WeakPolarHBondContact O-CD 3.39Å; T411-H415 WeakPolarHBondContact O-CB 3.34Å; T411-H415 PolarHBondContact O-N 2.8Å; T411-I462 HydrophobicContact CG2-CD1 4.47Å; T411-Y464 PolarHBondContact O-OH 3.47Å; T411-Y464 WeakPolarHBondContact OG1-CE1 3.41Å; T411-Y464 PolarHBondContact OG1-OH 3.07Å; T411-Y464 VanDerWaalsContact OG1-OH 3.13Å; T411-L490 HydrophobicContact CG2-CD2 3.56Å
412	C	98.4	Very high	94.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.4	-51.6	-171.1	-165.9	0	0	0	0	112.7	W175 G242 V408 T416 Y464	W175-C412 HydrophobicContact CB-CB 3.96Å; W175-C412 HydrophobicContact CG-CB 4.47Å; G242-C412 VanDerWaalsContact C-SG 3.58Å; V408-C412 WeakPolarHBondContact O-CB 3.4Å; V408-C412 PolarHBondContact O-N 3.33Å; C412-T416 PolarHBondContact O-N 3.23Å; C412-T416 PolarHBondContact O-OG1 2.78Å; C412-Y464 HydrophobicContact CB-CD1 3.49Å; C412-Y464 VanDerWaalsContact CB-CD1 3.49Å; C412-Y464 HydrophobicContact CB-CE1 3.38Å; C412-Y464 HydrophobicContact CB-CG 4.25Å; C412-Y464 VanDerWaalsContact SG-CD1 3.55Å
413	G	98.2	Very high	94.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.4	-57.1	178.4	0	0	0	0	0	112.2	L241 G254 T411 H415 T416 I417	L241-G413 VanDerWaalsContact O-CA 3.28Å; L241-G413 WeakPolarHBondContact O-CA 3.35Å; G254-G413 WeakPolarHBondContact CA-O 3.34Å; T411-G413 PolarHBondContact O-N 2.8Å; G413-H415 VanDerWaalsContact C-N 3.29Å; G413-H415 PolarHBondContact O-N 3.41Å; G413-T416 PolarHBondContact O-N 3.31Å; G413-I417 PolarHBondContact O-N 2.81Å
414	P	98.2	Very high	95	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.4	-38.8	178	-24.5	31.5	0	0	0	114	L240 I256 Q388 I392 T411 T416 I417 I418	L240-P414 HydrophobicContact CD1-CG 4.36Å; L240-P414 HydrophobicContact CD2-CG 3.99Å; I256-P414 HydrophobicContact CD1-CB 3.93Å; I256-P414 HydrophobicContact CD1-CG 3.77Å; I256-P414 HydrophobicContact CG1-CG 4.15Å; Q388-P414 HydrophobicContact CB-CB 3.57Å; Q388-P414 HydrophobicContact CB-CG 4.19Å; Q388-P414 HydrophobicContact CG-CB 4.21Å; I392-P414 HydrophobicContact CD1-CB 4.22Å; T411-P414 WeakPolarHBondContact O-CD 3.39Å; P414-T416 PolarHBondContact O-N 2.85Å; P414-I417 PolarHBondContact O-N 3.39Å; P414-I417 VanDerWaalsContact O-N 3.13Å; P414-I418 VanDerWaalsContact O-CG1 3.31Å; P414-I418 WeakPolarHBondContact O-CG1 3.42Å; P414-I418 PolarHBondContact O-N 2.62Å
415	H	98.2	Very high	95.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.2	-43.1	-179.7	-175.2	-179	0	0	0	112.1	P251 T411 G413 I417 I418 N419 V425 Q461 Y464	P251-H415 HydrophobicContact CG-CB 4.27Å; T411-H415 WeakPolarHBondContact O-CB 3.34Å; T411-H415 PolarHBondContact O-N 2.8Å; G413-H415 VanDerWaalsContact C-N 3.29Å; G413-H415 PolarHBondContact O-N 3.41Å; H415-I417 VanDerWaalsContact C-N 3.31Å; H415-I417 PolarHBondContact O-N 2.91Å; H415-I418 PolarHBondContact O-N 3.32Å; H415-N419 PolarHBondContact CD2-ND2 3.25Å; H415-N419 VanDerWaalsContact CD2-ND2 3.34Å; H415-N419 PolarHBondContact NE2-ND2 3.21Å; H415-N419 WeakPolarHBondContact O-CB 3.15Å; H415-N419 PolarHBondContact O-N 2.65Å; H415-V425 HydrophobicContact CB-CB 4.04Å; H415-V425 HydrophobicContact CB-CG2 3.65Å; H415-V425 PolarHBondContact CD2-N 2.92Å; H415-V425 PolarHBondContact CE1-O 3.12Å; H415-V425 PolarHBondContact NE2-N 3.18Å; H415-V425 PolarHBondContact NE2-O 3.44Å; H415-Q461 PolarHBondContact CE1-OE1 2.89Å; H415-Q461 PolarHBondContact NE2-OE1 3.22Å; H415-Q461 VanDerWaalsContact NE2-OE1 3.08Å; H415-Y464 WeakPolarHBondContact CB-OH 3.44Å; H415-Y464 AromaticContact ND1-CE2 3.46Å; H415-Y464 WeakPolarHBondContact ND1-CE2 3.39Å; H415-Y464 AromaticContact ND1-CZ 3.64Å; H415-Y464 PolarHBondContact ND1-OH 3.44Å
416	T	96.7	Very high	96	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-59.4	-44.2	174.3	-57.4	0	0	0	0	111.8	P251 L252 I253 G287 N289 C412 G413 P414 I418 N419 S420	P251-T416 WeakPolarHBondContact CB-OG1 3.29Å; L252-T416 WeakPolarHBondContact O-CG2 3.18Å; I253-T416 PolarHBondContact O-OG1 3.43Å; G287-T416 WeakPolarHBondContact O-CG2 3.44Å; N289-T416 HydrophobicContact CB-CG2 4.43Å; C412-T416 PolarHBondContact O-N 3.23Å; C412-T416 PolarHBondContact O-OG1 2.78Å; G413-T416 PolarHBondContact O-N 3.31Å; P414-T416 PolarHBondContact O-N 2.85Å; T416-I418 VanDerWaalsContact C-N 3.34Å; T416-I418 PolarHBondContact O-N 3.16Å; T416-N419 WeakPolarHBondContact O-CB 3.3Å; T416-N419 PolarHBondContact O-N 3.03Å; T416-S420 WeakPolarHBondContact O-CB 3.24Å; T416-S420 PolarHBondContact O-N 3.49Å
417	I	96.3	Very high	96.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.6	-46.2	-178.8	-55.8	-179.5	0	0	0	109.4	I256 F285 I392 G413 P414 H415 N419 S420 L421	I256-I417 HydrophobicContact CB-CD1 4.41Å; I256-I417 HydrophobicContact CD1-CD1 3.95Å; I256-I417 HydrophobicContact CG1-CD1 3.78Å; F285-I417 HydrophobicContact CB-CD1 4.06Å; I392-I417 HydrophobicContact CB-CG2 4.44Å; I392-I417 HydrophobicContact CD1-CB 3.75Å; I392-I417 HydrophobicContact CD1-CD1 4.21Å; I392-I417 HydrophobicContact CD1-CG2 3.8Å; I392-I417 HydrophobicContact CG1-CB 4.19Å; I392-I417 HydrophobicContact CG1-CG2 3.89Å; I392-I417 HydrophobicContact CG2-CG2 3.68Å; G413-I417 PolarHBondContact O-N 2.81Å; P414-I417 PolarHBondContact O-N 3.39Å; P414-I417 VanDerWaalsContact O-N 3.13Å; H415-I417 VanDerWaalsContact C-N 3.31Å; H415-I417 PolarHBondContact O-N 2.91Å; I417-N419 PolarHBondContact O-N 2.66Å; I417-S420 PolarHBondContact O-N 3.49Å; I417-S420 VanDerWaalsContact O-N 3.15Å; I417-S420 PolarHBondContact O-OG 2.99Å; I417-L421 HydrophobicContact CG2-CD1 4.45Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 3.19Å
418	I	96.2	Very high	96.2	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-60.2	-44.9	176.5	-65.9	171.5	0	0	0	111.3	Q388 V391 I392 P414 H415 T416 S420 L421 G422 G423 V425 A492 Y493	Q388-I418 HydrophobicContact CB-CD1 4.37Å; V391-I418 HydrophobicContact CB-CD1 4.31Å; V391-I418 HydrophobicContact CG1-CD1 4.15Å; V391-I418 HydrophobicContact CG1-CG1 4.45Å; I392-I418 HydrophobicContact CD1-CG1 4.13Å; I392-I418 HydrophobicContact CG1-CD1 4.25Å; I392-I418 HydrophobicContact CG1-CG1 3.48Å; I392-I418 VanDerWaalsContact CG1-CG1 3.48Å; P414-I418 VanDerWaalsContact O-CG1 3.31Å; P414-I418 WeakPolarHBondContact O-CG1 3.42Å; P414-I418 PolarHBondContact O-N 2.62Å; H415-I418 PolarHBondContact O-N 3.32Å; T416-I418 VanDerWaalsContact C-N 3.34Å; T416-I418 PolarHBondContact O-N 3.16Å; I418-S420 VanDerWaalsContact C-N 3.3Å; I418-S420 PolarHBondContact O-N 2.87Å; I418-L421 WeakPolarHBondContact O-CB 3.38Å; I418-L421 PolarHBondContact O-N 2.88Å; I418-L421 VanDerWaalsContact O-N 3.08Å; I418-G422 PolarHBondContact O-N 3.46Å; I418-G423 WeakPolarHBondContact O-CA 3.23Å; I418-G423 PolarHBondContact O-N 3.43Å; I418-V425 HydrophobicContact CD1-CG2 3.86Å; I418-A492 HydrophobicContact CD1-CB 4.02Å; I418-Y493 WeakPolarHBondContact CG2-O 3.41Å
419	N	94.5	Very high	96.2	Very high	9 Å²	9	9 Å²	9	5%	0.048	5%	0.05	C	C	.	.	H	α-helix	trans	-58.1	-42.2	175	-87.8	-18	0	0	0	111.7	N289 H415 T416 I417 L421 G422 G423 G424 Q461	N289-N419 HydrophobicContact CB-CB 4.37Å; H415-N419 PolarHBondContact CD2-ND2 3.25Å; H415-N419 VanDerWaalsContact CD2-ND2 3.34Å; H415-N419 PolarHBondContact NE2-ND2 3.21Å; H415-N419 WeakPolarHBondContact O-CB 3.15Å; H415-N419 PolarHBondContact O-N 2.65Å; T416-N419 WeakPolarHBondContact O-CB 3.3Å; T416-N419 PolarHBondContact O-N 3.03Å; I417-N419 PolarHBondContact O-N 2.66Å; N419-L421 PolarHBondContact O-N 2.92Å; N419-G422 PolarHBondContact O-N 2.67Å; N419-G423 PolarHBondContact OD1-O 3.05Å; N419-G423 VanDerWaalsContact OD1-O 3.09Å; N419-G424 WeakPolarHBondContact OD1-CA 3.36Å; N419-Q461 PolarHBondContact ND2-OE1 3.48Å; N419-Q461 PolarHBondContact OD1-NE2 2.77Å; N419-Q461 VanDerWaalsContact OD1-NE2 3.08Å
420	S	91.8	Very high	96.2	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.007	6%	0.059	C	C	.	.	H	α-helix	trans	-65.2	-22.2	179.2	77	0	0	0	0	113.2	F288 R301 S303 T416 I417 I418	F288-S420 VanDerWaalsContact O-CB 3.29Å; F288-S420 WeakPolarHBondContact O-CB 3.34Å; R301-S420 WeakPolarHBondContact CD-O 3.43Å; S303-S420 VanDerWaalsContact CB-OG 3.25Å; S303-S420 WeakPolarHBondContact CB-OG 3.48Å; T416-S420 WeakPolarHBondContact O-CB 3.24Å; T416-S420 PolarHBondContact O-N 3.49Å; I417-S420 PolarHBondContact O-N 3.49Å; I417-S420 VanDerWaalsContact O-N 3.15Å; I417-S420 PolarHBondContact O-OG 2.99Å; I418-S420 VanDerWaalsContact C-N 3.3Å; I418-S420 PolarHBondContact O-N 2.87Å
421	L	90.3	Very high	96.2	Very high	7 Å²	7	9.7 Å²	9.7	4%	0.037	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	3.4	174.8	-62	174	0	0	0	113.4	I392 I417 I418 N419 R494	I392-L421 HydrophobicContact CG2-CD1 4.16Å; I417-L421 HydrophobicContact CG2-CD1 4.45Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 3.19Å; I418-L421 WeakPolarHBondContact O-CB 3.38Å; I418-L421 PolarHBondContact O-N 2.88Å; I418-L421 VanDerWaalsContact O-N 3.08Å; N419-L421 PolarHBondContact O-N 2.92Å; L421-R494 HydrophobicContact CB-CG 4.15Å
422	G	89.9	Confident	96.1	Very high	22 Å²	22	9.8 Å²	9.8	23%	0.227	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	4.5	-179.4	0	0	0	0	0	115.2	I418 N419	I418-G422 PolarHBondContact O-N 3.46Å; N419-G422 PolarHBondContact O-N 2.67Å
423	G	94.2	Very high	96	Very high	8 Å²	8	14.6 Å²	14.6	8%	0.082	8%	0.082	C	C	.	.			trans	-91.1	-155.6	177.1	0	0	0	0	0	113.9	I418 N419 Y493 R494	I418-G423 WeakPolarHBondContact O-CA 3.23Å; I418-G423 PolarHBondContact O-N 3.43Å; N419-G423 PolarHBondContact OD1-O 3.05Å; N419-G423 VanDerWaalsContact OD1-O 3.09Å; G423-Y493 CarbonylContact C-O 3.54Å; G423-Y493 WeakPolarHBondContact CA-O 3.41Å; G423-R494 WeakPolarHBondContact CA-O 3.39Å; G423-R494 PolarHBondContact N-O 3.31Å
424	G	96.8	Very high	95.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	173.2	167.3	0	0	0	0	0	113.4	N419 A492 Y493	N419-G424 WeakPolarHBondContact OD1-CA 3.36Å; G424-A492 WeakPolarHBondContact O-CA 3.39Å; G424-Y493 PolarHBondContact N-O 2.99Å; G424-Y493 WeakPolarHBondContact O-CD1 3.23Å; G424-Y493 WeakPolarHBondContact O-CE1 3.26Å; G424-Y493 PolarHBondContact O-N 3.27Å
425	V	98.4	Very high	95.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.2	169	-172	0	0	0	0	108.5	H415 I418 Q461 I462 L490 L491 A492	H415-V425 HydrophobicContact CB-CB 4.04Å; H415-V425 HydrophobicContact CB-CG2 3.65Å; H415-V425 PolarHBondContact CD2-N 2.92Å; H415-V425 PolarHBondContact CE1-O 3.12Å; H415-V425 PolarHBondContact NE2-N 3.18Å; H415-V425 PolarHBondContact NE2-O 3.44Å; I418-V425 HydrophobicContact CD1-CG2 3.86Å; V425-Q461 WeakPolarHBondContact O-CA 3.32Å; V425-I462 HydrophobicContact CG1-CD1 3.66Å; V425-I462 HydrophobicContact CG1-CG1 4.37Å; V425-I462 PolarHBondContact O-N 3.04Å; V425-L490 HydrophobicContact CG1-CB 4.1Å; V425-L490 HydrophobicContact CG1-CD1 4.37Å; V425-L490 HydrophobicContact CG1-CD2 4.25Å; V425-L490 HydrophobicContact CG1-CG 4.48Å; V425-L491 WeakPolarHBondContact CA-O 3.45Å; V425-A492 HydrophobicContact CB-CB 4.46Å; V425-A492 HydrophobicContact CG1-CB 4.18Å; V425-A492 HydrophobicContact CG2-CB 3.8Å
426	I	98.1	Very high	95.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.7	-170.4	64.1	172.8	0	0	0	112.6	L428 I431 L457 Y460 Q461 L490 L491 Y493 L503	I426-L428 PolarHBondContact O-N 3.35Å; I426-I431 HydrophobicContact CD1-CD1 3.95Å; I426-I431 HydrophobicContact CD1-CG2 3.97Å; I426-L457 HydrophobicContact CD1-CD2 3.6Å; I426-L457 WeakPolarHBondContact CG2-O 3.11Å; I426-Y460 CarbonylContact C-O 3.55Å; I426-Y460 WeakPolarHBondContact CA-O 3.21Å; I426-Y460 WeakPolarHBondContact CB-O 3.36Å; I426-Q461 HydrophobicContact CG2-CG 4.34Å; I426-L490 WeakPolarHBondContact O-CA 3.44Å; I426-L491 HydrophobicContact CD1-CB 4.3Å; I426-L491 HydrophobicContact CD1-CD2 4.16Å; I426-L491 HydrophobicContact CG1-CB 3.88Å; I426-L491 PolarHBondContact N-O 3.32Å; I426-L491 PolarHBondContact O-N 3.5Å; I426-Y493 HydrophobicContact CD1-CE1 4.08Å; I426-Y493 HydrophobicContact CG1-CE1 4.09Å; I426-Y493 HydrophobicContact CG2-CE1 3.9Å; I426-L503 HydrophobicContact CD1-CD1 3.9Å
427	Q	97.6	Very high	95.2	Very high	52 Å²	52	24 Å²	24	24%	0.243	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	103.1	173.7	-61.5	-177.9	17.3	0	0	111.1	K429 S430 I431 Y460 I462 N488	Q427-K429 PolarHBondContact O-N 3.05Å; Q427-S430 PolarHBondContact O-N 3.28Å; Q427-S430 PolarHBondContact OE1-OG 3.03Å; Q427-I431 PolarHBondContact O-N 3.38Å; Q427-Y460 PolarHBondContact N-O 3.49Å; Q427-I462 HydrophobicContact CG-CG1 4.21Å; Q427-N488 HydrophobicContact CB-CB 3.94Å; Q427-N488 HydrophobicContact CG-CB 4.47Å; Q427-N488 PolarHBondContact OE1-ND2 2.68Å
428	L	97.2	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-50.7	-168.8	-178.6	54.4	0	0	0	113.5	I400 M402 I426 S430 I431 L432 N488 G489 L491 L503 I506	I400-L428 HydrophobicContact CG2-CD2 3.82Å; M402-L428 HydrophobicContact CB-CD2 4.42Å; M402-L428 HydrophobicContact CG-CD2 4.17Å; M402-L428 HydrophobicContact SD-CD2 3.36Å; M402-L428 WeakPolarHBondContact SD-CD2 3.35Å; M402-L428 HydrophobicContact SD-CG 4.24Å; I426-L428 PolarHBondContact O-N 3.35Å; L428-S430 VanDerWaalsContact C-N 3.31Å; L428-S430 PolarHBondContact O-N 2.93Å; L428-I431 VanDerWaalsContact O-CG2 3.27Å; L428-I431 WeakPolarHBondContact O-CG2 3.47Å; L428-I431 PolarHBondContact O-N 2.6Å; L428-L432 HydrophobicContact CD1-CD1 3.73Å; L428-L432 HydrophobicContact CD1-CG 3.97Å; L428-L432 HydrophobicContact CG-CD1 3.86Å; L428-L432 HydrophobicContact CG-CG 4.49Å; L428-L432 WeakPolarHBondContact O-CB 3.46Å; L428-L432 VanDerWaalsContact O-CG 3.23Å; L428-L432 WeakPolarHBondContact O-CG 3.34Å; L428-L432 PolarHBondContact O-N 2.9Å; L428-N488 PolarHBondContact N-O 3.49Å; L428-G489 PolarHBondContact N-O 2.97Å; L428-L491 HydrophobicContact CD1-CB 4.27Å; L428-L503 HydrophobicContact CD1-CD2 3.46Å; L428-L503 VanDerWaalsContact CD1-CD2 3.46Å; L428-I506 HydrophobicContact CD1-CD1 4.38Å
429	K	96.5	Very high	94.7	Very high	71 Å²	71	26 Å²	26	31%	0.309	14%	0.143	S	C	.	.	H	α-helix	trans	-62.8	-38.2	-179.7	-69.6	174.9	-164.2	161.1	0	112.3	M402 Q427 N433 R487 N488	M402-K429 WeakPolarHBondContact O-CE 3.15Å; M402-K429 PolarHBondContact O-NZ 3.23Å; M402-K429 VanDerWaalsContact O-NZ 3.1Å; Q427-K429 PolarHBondContact O-N 3.05Å; K429-N433 VanDerWaalsContact O-CG 3.28Å; K429-N433 PolarHBondContact O-N 3.27Å; K429-N433 VanDerWaalsContact O-N 3.15Å; K429-N433 PolarHBondContact O-ND2 3.15Å; K429-R487 PolarHBondContact NZ-O 2.83Å; K429-N488 HydrophobicContact CB-CB 4.17Å; K429-N488 WeakPolarHBondContact CB-O 3.48Å; K429-N488 VanDerWaalsContact CG-O 3.28Å; K429-N488 WeakPolarHBondContact CG-O 3.45Å; K429-N488 PolarHBondContact N-O 3.16Å
430	S	96.5	Very high	94.4	Very high	30 Å²	30	31.9 Å²	31.9	21%	0.21	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-49.3	-179	-56.9	0	0	0	0	111.3	Q427 L428 S434 N488	Q427-S430 PolarHBondContact O-N 3.28Å; Q427-S430 PolarHBondContact OE1-OG 3.03Å; L428-S430 VanDerWaalsContact C-N 3.31Å; L428-S430 PolarHBondContact O-N 2.93Å; S430-S434 PolarHBondContact O-N 2.89Å; S430-N488 PolarHBondContact OG-ND2 3.27Å; S430-N488 VanDerWaalsContact OG-ND2 3.09Å
431	I	97.2	Very high	94.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-70.9	-38.4	-179.7	-167.2	165.1	0	0	0	112	I426 Q427 L428 N433 S434 I435 I453 L457 Y460 L503	I426-I431 HydrophobicContact CD1-CD1 3.95Å; I426-I431 HydrophobicContact CD1-CG2 3.97Å; Q427-I431 PolarHBondContact O-N 3.38Å; L428-I431 VanDerWaalsContact O-CG2 3.27Å; L428-I431 WeakPolarHBondContact O-CG2 3.47Å; L428-I431 PolarHBondContact O-N 2.6Å; I431-N433 VanDerWaalsContact C-N 3.26Å; I431-N433 PolarHBondContact O-N 2.55Å; I431-S434 WeakPolarHBondContact O-CB 3.43Å; I431-S434 PolarHBondContact O-N 2.81Å; I431-S434 VanDerWaalsContact O-N 3.07Å; I431-I435 HydrophobicContact CG1-CD1 4.02Å; I431-I435 HydrophobicContact CG1-CG1 4.36Å; I431-I435 WeakPolarHBondContact O-CG1 3.35Å; I431-I435 PolarHBondContact O-N 3.45Å; I431-I453 HydrophobicContact CD1-CG2 4.3Å; I431-L457 HydrophobicContact CD1-CD2 3.87Å; I431-Y460 HydrophobicContact CB-CD1 3.91Å; I431-Y460 HydrophobicContact CB-CD2 3.88Å; I431-Y460 HydrophobicContact CB-CE1 4.29Å; I431-Y460 HydrophobicContact CB-CE2 4.23Å; I431-Y460 HydrophobicContact CB-CG 3.71Å; I431-Y460 HydrophobicContact CD1-CD2 3.52Å; I431-Y460 HydrophobicContact CD1-CE2 4.02Å; I431-Y460 HydrophobicContact CD1-CG 4.08Å; I431-Y460 HydrophobicContact CG1-CD2 3.65Å; I431-Y460 HydrophobicContact CG1-CE2 3.79Å; I431-Y460 HydrophobicContact CG1-CG 4.04Å; I431-L503 HydrophobicContact CD1-CD1 3.75Å; I431-L503 HydrophobicContact CG1-CD1 4.35Å; I431-L503 HydrophobicContact CG2-CD1 4.17Å; I431-L503 HydrophobicContact CG2-CD2 3.68Å
432	L	97	Very high	93.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-36.6	178	-73.4	173.4	0	0	0	112.1	M402 L428 I435 K436 L503 I506 A507	M402-L432 HydrophobicContact CE-CD1 4.49Å; L428-L432 HydrophobicContact CD1-CD1 3.73Å; L428-L432 HydrophobicContact CD1-CG 3.97Å; L428-L432 HydrophobicContact CG-CD1 3.86Å; L428-L432 HydrophobicContact CG-CG 4.49Å; L428-L432 WeakPolarHBondContact O-CB 3.46Å; L428-L432 VanDerWaalsContact O-CG 3.23Å; L428-L432 WeakPolarHBondContact O-CG 3.34Å; L428-L432 PolarHBondContact O-N 2.9Å; L432-I435 PolarHBondContact O-N 3.26Å; L432-K436 VanDerWaalsContact O-CG 3.31Å; L432-K436 WeakPolarHBondContact O-CG 3.26Å; L432-K436 PolarHBondContact O-N 2.92Å; L432-L503 HydrophobicContact CD2-CD2 4.01Å; L432-L503 WeakPolarHBondContact CD2-O 3.34Å; L432-L503 HydrophobicContact CG-CD2 4.33Å; L432-I506 HydrophobicContact CD1-CG2 3.68Å; L432-I506 HydrophobicContact CD2-CB 3.88Å; L432-I506 HydrophobicContact CD2-CG2 3.73Å; L432-I506 HydrophobicContact CG-CG2 4.39Å; L432-A507 HydrophobicContact CD2-CB 4.18Å
433	N	95.3	Very high	92.6	Very high	100 Å²	100	43.7 Å²	43.7	54%	0.535	23%	0.23	S	C	.	.	H	α-helix	trans	-62.7	-42.8	174.8	-72	-20.4	0	0	0	111.7	K429 I431 K436 L437	K429-N433 VanDerWaalsContact O-CG 3.28Å; K429-N433 PolarHBondContact O-N 3.27Å; K429-N433 VanDerWaalsContact O-N 3.15Å; K429-N433 PolarHBondContact O-ND2 3.15Å; I431-N433 VanDerWaalsContact C-N 3.26Å; I431-N433 PolarHBondContact O-N 2.55Å; N433-K436 PolarHBondContact O-N 3.38Å; N433-L437 PolarHBondContact O-N 3.47Å
434	S	94.7	Very high	91.8	Very high	36 Å²	36	50.9 Å²	50.9	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-41	175.1	-56.8	0	0	0	0	112.3	S430 I431 K436 L437 L438 Y460	S430-S434 PolarHBondContact O-N 2.89Å; I431-S434 WeakPolarHBondContact O-CB 3.43Å; I431-S434 PolarHBondContact O-N 2.81Å; I431-S434 VanDerWaalsContact O-N 3.07Å; S434-K436 VanDerWaalsContact C-N 3.35Å; S434-K436 PolarHBondContact O-N 2.84Å; S434-L437 WeakPolarHBondContact O-CB 3.39Å; S434-L437 PolarHBondContact O-N 3.31Å; S434-L438 PolarHBondContact O-N 3.11Å; S434-Y460 WeakPolarHBondContact CB-OH 3.46Å; S434-Y460 PolarHBondContact OG-OH 2.81Å
435	I	95.1	Very high	91.3	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-40.1	178.8	-64.3	170.4	0	0	0	111.1	I431 L432 L437 L438 L439 I453 L503 L504 A507	I431-I435 HydrophobicContact CG1-CD1 4.02Å; I431-I435 HydrophobicContact CG1-CG1 4.36Å; I431-I435 WeakPolarHBondContact O-CG1 3.35Å; I431-I435 PolarHBondContact O-N 3.45Å; L432-I435 PolarHBondContact O-N 3.26Å; I435-L437 VanDerWaalsContact C-N 3.25Å; I435-L437 PolarHBondContact O-N 3.06Å; I435-L438 WeakPolarHBondContact O-CB 3.49Å; I435-L438 PolarHBondContact O-N 3.49Å; I435-L438 VanDerWaalsContact O-N 3.12Å; I435-L439 HydrophobicContact CG2-CD1 4.06Å; I435-L439 HydrophobicContact CG2-CG 4.4Å; I435-L439 WeakPolarHBondContact O-CG 3.39Å; I435-L439 PolarHBondContact O-N 2.81Å; I435-I453 HydrophobicContact CD1-CD1 3.62Å; I435-I453 HydrophobicContact CD1-CG1 3.75Å; I435-I453 HydrophobicContact CD1-CG2 4.14Å; I435-I453 HydrophobicContact CG1-CD1 3.89Å; I435-I453 HydrophobicContact CG1-CG1 3.75Å; I435-I453 HydrophobicContact CG2-CD1 4.09Å; I435-L503 HydrophobicContact CD1-CB 3.6Å; I435-L503 HydrophobicContact CD1-CD1 4.27Å; I435-L503 HydrophobicContact CD1-CG 4.41Å; I435-L504 HydrophobicContact CG2-CD1 4.44Å; I435-A507 HydrophobicContact CB-CB 4.12Å; I435-A507 HydrophobicContact CG2-CB 3.49Å; I435-A507 VanDerWaalsContact CG2-CB 3.49Å
436	K	93.6	Very high	90.7	Very high	58 Å²	58	56.8 Å²	56.8	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-36.9	175.2	-73.4	173.4	-174.1	-176.3	0	111.9	L432 N433 S434 Q440 A507	L432-K436 VanDerWaalsContact O-CG 3.31Å; L432-K436 WeakPolarHBondContact O-CG 3.26Å; L432-K436 PolarHBondContact O-N 2.92Å; N433-K436 PolarHBondContact O-N 3.38Å; S434-K436 VanDerWaalsContact C-N 3.35Å; S434-K436 PolarHBondContact O-N 2.84Å; K436-Q440 WeakPolarHBondContact O-CG 3.4Å; K436-Q440 PolarHBondContact O-N 3.1Å; K436-A507 HydrophobicContact CG-CB 4.4Å
437	L	91.7	Very high	90.3	Very high	103 Å²	103	61.7 Å²	61.7	54%	0.539	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-42.5	173.2	-66.3	167.2	0	0	0	111.8	N433 S434 I435 L439 Q440 N441	N433-L437 PolarHBondContact O-N 3.47Å; S434-L437 WeakPolarHBondContact O-CB 3.39Å; S434-L437 PolarHBondContact O-N 3.31Å; I435-L437 VanDerWaalsContact C-N 3.25Å; I435-L437 PolarHBondContact O-N 3.06Å; L437-L439 VanDerWaalsContact C-N 3.32Å; L437-L439 PolarHBondContact O-N 3Å; L437-Q440 WeakPolarHBondContact O-CB 3.5Å; L437-Q440 PolarHBondContact O-N 3.15Å; L437-Q440 VanDerWaalsContact O-N 3.15Å; L437-N441 PolarHBondContact O-N 2.91Å
438	L	91.2	Very high	89.9	Confident	39 Å²	39	63.1 Å²	63.1	20%	0.204	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-41.7	175	-69.3	174.5	0	0	0	112	S434 I435 Q440 N441 H442 L452	S434-L438 PolarHBondContact O-N 3.11Å; I435-L438 WeakPolarHBondContact O-CB 3.49Å; I435-L438 PolarHBondContact O-N 3.49Å; I435-L438 VanDerWaalsContact O-N 3.12Å; L438-Q440 PolarHBondContact O-N 2.96Å; L438-N441 PolarHBondContact O-N 2.97Å; L438-N441 VanDerWaalsContact O-N 3.07Å; L438-H442 PolarHBondContact O-N 3.08Å; L438-L452 HydrophobicContact CD1-CB 4.25Å; L438-L452 HydrophobicContact CD2-CD1 4.15Å
439	L	91.3	Very high	89.6	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-20.9	177.4	-78.7	168	0	0	0	113.9	I435 L437 L446 I449 L504 A507 L508	I435-L439 HydrophobicContact CG2-CD1 4.06Å; I435-L439 HydrophobicContact CG2-CG 4.4Å; I435-L439 WeakPolarHBondContact O-CG 3.39Å; I435-L439 PolarHBondContact O-N 2.81Å; L437-L439 VanDerWaalsContact C-N 3.32Å; L437-L439 PolarHBondContact O-N 3Å; L439-L446 HydrophobicContact CD2-CD2 4.4Å; L439-I449 HydrophobicContact CD2-CD1 3.57Å; L439-I449 HydrophobicContact CG-CD1 4.18Å; L439-L504 HydrophobicContact CD1-CD1 4.32Å; L439-L504 HydrophobicContact CD2-CD1 4.01Å; L439-L504 HydrophobicContact CG-CD1 4.43Å; L439-A507 HydrophobicContact CD1-CB 3.87Å; L439-L508 HydrophobicContact CD1-CD2 4.05Å; L439-L508 HydrophobicContact CD1-CG 4.32Å; L439-L508 HydrophobicContact CD2-CD2 3.74Å; L439-L508 HydrophobicContact CD2-CG 4.48Å
440	Q	88.7	Confident	89.4	Confident	133 Å²	133	60.2 Å²	60.2	62%	0.621	32%	0.321	S	S	*	.	H	α-helix	trans	-77.9	-33.3	172.4	-69.7	169.5	1.1	0	0	111.4	K436 L437 L438	K436-Q440 WeakPolarHBondContact O-CG 3.4Å; K436-Q440 PolarHBondContact O-N 3.1Å; L437-Q440 WeakPolarHBondContact O-CB 3.5Å; L437-Q440 PolarHBondContact O-N 3.15Å; L437-Q440 VanDerWaalsContact O-N 3.15Å; L438-Q440 PolarHBondContact O-N 2.96Å
441	N	84.1	Confident	89.3	Confident	121 Å²	121	63.7 Å²	63.7	65%	0.647	33%	0.334	S	S	*	.	H	α-helix	trans	-88.9	-28.7	-177	-65	-23.9	0	0	0	113.5	L437 L438	L437-N441 PolarHBondContact O-N 2.91Å; L438-N441 PolarHBondContact O-N 2.97Å; L438-N441 VanDerWaalsContact O-N 3.07Å
442	H	77.5	Confident	89.1	Confident	87 Å²	87	66.5 Å²	66.5	40%	0.403	35%	0.348	S	S	.	.			trans	-129.3	41.2	-170.5	-63.1	-69.9	0	0	0	113.7	L438 N444 N445 I449	L438-H442 PolarHBondContact O-N 3.08Å; H442-N444 PolarHBondContact O-N 3.49Å; H442-N445 PolarHBondContact O-N 3.46Å; H442-I449 HydrophobicContact CB-CD1 4.18Å; H442-I449 HydrophobicContact CB-CG1 4.16Å
443	S	72	Confident	89.1	Confident	70 Å²	70	66.5 Å²	66.5	49%	0.49	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-22.8	-167.5	54.4	0	0	0	0	116.9
444	N	76.7	Confident	89.1	Confident	158 Å²	158	64.2 Å²	64.2	85%	0.845	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	2.4	-170.6	-63.1	-15	0	0	0	115.2	H442	H442-N444 PolarHBondContact O-N 3.49Å
445	N	86.3	Confident	89.1	Confident	67 Å²	67	67 Å²	67	36%	0.358	35%	0.348	S	S	.	.			trans	-133.2	85.1	-178.8	-163.3	-35.7	0	0	0	112.1	H442 D447 I448 I449	H442-N445 PolarHBondContact O-N 3.46Å; N445-D447 VanDerWaalsContact C-N 3.31Å; N445-D447 PolarHBondContact O-N 2.98Å; N445-D447 PolarHBondContact OD1-N 3.22Å; N445-I448 HydrophobicContact CB-CB 4.31Å; N445-I448 HydrophobicContact CB-CD1 4.09Å; N445-I448 HydrophobicContact CB-CG1 4.34Å; N445-I448 VanDerWaalsContact CG-CD1 3.49Å; N445-I448 WeakPolarHBondContact ND2-CD1 3.33Å; N445-I448 PolarHBondContact O-N 3.4Å; N445-I448 WeakPolarHBondContact OD1-CG1 3.36Å; N445-I448 PolarHBondContact OD1-N 3.33Å; N445-I448 VanDerWaalsContact OD1-N 3.11Å; N445-I449 WeakPolarHBondContact O-CG1 3.4Å; N445-I449 PolarHBondContact O-N 2.77Å
446	L	87.5	Confident	89.1	Confident	57 Å²	57	69.1 Å²	69.1	30%	0.298	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-34.1	-177.9	-61.6	-177.9	0	0	0	112.4	L439 I449 I450 L504 L508	L439-L446 HydrophobicContact CD2-CD2 4.4Å; L446-I449 WeakPolarHBondContact O-CB 3.2Å; L446-I449 PolarHBondContact O-N 3.25Å; L446-I449 VanDerWaalsContact O-N 3.13Å; L446-I450 WeakPolarHBondContact O-CG1 3.29Å; L446-I450 PolarHBondContact O-N 2.71Å; L446-L504 HydrophobicContact CB-CD2 4.14Å; L446-L504 HydrophobicContact CD2-CD1 4.38Å; L446-L504 HydrophobicContact CD2-CD2 4.23Å; L446-L508 HydrophobicContact CD2-CD1 4.39Å
447	D	87.8	Confident	89.2	Confident	104 Å²	104	66.6 Å²	66.6	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-64.3	-43.2	179.3	-63.8	-34.3	0	0	0	111.9	N445 I449 I450 Q451	N445-D447 VanDerWaalsContact C-N 3.31Å; N445-D447 PolarHBondContact O-N 2.98Å; N445-D447 PolarHBondContact OD1-N 3.22Å; D447-I449 VanDerWaalsContact C-N 3.28Å; D447-I449 PolarHBondContact O-N 2.95Å; D447-I450 PolarHBondContact O-N 2.94Å; D447-Q451 WeakPolarHBondContact O-CG 3.4Å; D447-Q451 PolarHBondContact O-N 3.23Å
448	I	90	Very high	89.3	Confident	81 Å²	81	67.2 Å²	67.2	42%	0.415	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-41.6	173.8	-69.5	176.9	0	0	0	110.1	N445 Q451 L452	N445-I448 HydrophobicContact CB-CB 4.31Å; N445-I448 HydrophobicContact CB-CD1 4.09Å; N445-I448 HydrophobicContact CB-CG1 4.34Å; N445-I448 VanDerWaalsContact CG-CD1 3.49Å; N445-I448 WeakPolarHBondContact ND2-CD1 3.33Å; N445-I448 PolarHBondContact O-N 3.4Å; N445-I448 WeakPolarHBondContact OD1-CG1 3.36Å; N445-I448 PolarHBondContact OD1-N 3.33Å; N445-I448 VanDerWaalsContact OD1-N 3.11Å; I448-Q451 PolarHBondContact O-N 3.43Å; I448-L452 HydrophobicContact CG2-CD1 4.06Å; I448-L452 HydrophobicContact CG2-CG 4.38Å; I448-L452 WeakPolarHBondContact O-CG 3.31Å; I448-L452 PolarHBondContact O-N 3.24Å
449	I	91.4	Very high	89.6	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-43.6	178.2	-64.2	175.2	0	0	0	110.6	L439 H442 N445 L446 D447 Q451 L452 I453 L504	L439-I449 HydrophobicContact CD2-CD1 3.57Å; L439-I449 HydrophobicContact CG-CD1 4.18Å; H442-I449 HydrophobicContact CB-CD1 4.18Å; H442-I449 HydrophobicContact CB-CG1 4.16Å; N445-I449 WeakPolarHBondContact O-CG1 3.4Å; N445-I449 PolarHBondContact O-N 2.77Å; L446-I449 WeakPolarHBondContact O-CB 3.2Å; L446-I449 PolarHBondContact O-N 3.25Å; L446-I449 VanDerWaalsContact O-N 3.13Å; D447-I449 VanDerWaalsContact C-N 3.28Å; D447-I449 PolarHBondContact O-N 2.95Å; I449-Q451 VanDerWaalsContact C-N 3.31Å; I449-Q451 PolarHBondContact O-N 2.94Å; I449-L452 PolarHBondContact O-N 3.4Å; I449-I453 HydrophobicContact CG2-CD1 3.8Å; I449-I453 HydrophobicContact CG2-CG1 4.27Å; I449-I453 VanDerWaalsContact O-CG1 3.23Å; I449-I453 WeakPolarHBondContact O-CG1 3.43Å; I449-I453 PolarHBondContact O-N 3.1Å; I449-L504 HydrophobicContact CG2-CD1 3.87Å
450	I	92.2	Very high	89.8	Confident	11 Å²	11	73.4 Å²	73.4	6%	0.056	37%	0.373	C	S	.	.	H	α-helix	trans	-57.5	-44.8	175.5	-71.7	174	0	0	0	110.9	A369 L446 D447 I453 L454 L497 Q501 L504	A369-I450 HydrophobicContact CB-CD1 4.4Å; L446-I450 WeakPolarHBondContact O-CG1 3.29Å; L446-I450 PolarHBondContact O-N 2.71Å; D447-I450 PolarHBondContact O-N 2.94Å; I450-I453 PolarHBondContact O-N 3.43Å; I450-L454 WeakPolarHBondContact O-CB 3.38Å; I450-L454 PolarHBondContact O-N 2.93Å; I450-L497 HydrophobicContact CG2-CD1 3.77Å; I450-Q501 HydrophobicContact CD1-CG 4.23Å; I450-L504 HydrophobicContact CD1-CD2 4.01Å; I450-L504 HydrophobicContact CG1-CD2 3.61Å
451	Q	93.2	Very high	90.2	Very high	103 Å²	103	68.5 Å²	68.5	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-40.4	178.2	-68.7	-59.5	-30.2	0	0	112.3	D447 I448 I449 L454 N455	D447-Q451 WeakPolarHBondContact O-CG 3.4Å; D447-Q451 PolarHBondContact O-N 3.23Å; I448-Q451 PolarHBondContact O-N 3.43Å; I449-Q451 VanDerWaalsContact C-N 3.31Å; I449-Q451 PolarHBondContact O-N 2.94Å; Q451-L454 PolarHBondContact O-N 2.96Å; Q451-N455 WeakPolarHBondContact O-CB 3.43Å; Q451-N455 VanDerWaalsContact O-CG 3.24Å; Q451-N455 PolarHBondContact O-N 3.47Å; Q451-N455 PolarHBondContact O-ND2 3.23Å; Q451-N455 VanDerWaalsContact O-ND2 3.15Å
452	L	94.5	Very high	90.8	Very high	60 Å²	60	63 Å²	63	31%	0.314	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-43.6	174.8	-70	173.4	0	0	0	111.7	L438 I448 I449 N455 D456	L438-L452 HydrophobicContact CD1-CB 4.25Å; L438-L452 HydrophobicContact CD2-CD1 4.15Å; I448-L452 HydrophobicContact CG2-CD1 4.06Å; I448-L452 HydrophobicContact CG2-CG 4.38Å; I448-L452 WeakPolarHBondContact O-CG 3.31Å; I448-L452 PolarHBondContact O-N 3.24Å; I449-L452 PolarHBondContact O-N 3.4Å; L452-N455 PolarHBondContact O-N 3.06Å; L452-D456 WeakPolarHBondContact O-CB 3.24Å; L452-D456 PolarHBondContact O-N 3.38Å; L452-D456 VanDerWaalsContact O-N 3.12Å
453	I	95.8	Very high	91.7	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.015	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-50.2	175.3	-63.9	164.4	0	0	0	109.7	I431 I435 I449 I450 N455 D456 L457 S500 L503 L504	I431-I453 HydrophobicContact CD1-CG2 4.3Å; I435-I453 HydrophobicContact CD1-CD1 3.62Å; I435-I453 HydrophobicContact CD1-CG1 3.75Å; I435-I453 HydrophobicContact CD1-CG2 4.14Å; I435-I453 HydrophobicContact CG1-CD1 3.89Å; I435-I453 HydrophobicContact CG1-CG1 3.75Å; I435-I453 HydrophobicContact CG2-CD1 4.09Å; I449-I453 HydrophobicContact CG2-CD1 3.8Å; I449-I453 HydrophobicContact CG2-CG1 4.27Å; I449-I453 VanDerWaalsContact O-CG1 3.23Å; I449-I453 WeakPolarHBondContact O-CG1 3.43Å; I449-I453 PolarHBondContact O-N 3.1Å; I450-I453 PolarHBondContact O-N 3.43Å; I453-N455 VanDerWaalsContact C-N 3.26Å; I453-N455 PolarHBondContact O-N 3.28Å; I453-D456 CarbonylContact O-C 3.56Å; I453-D456 PolarHBondContact O-N 2.9Å; I453-L457 HydrophobicContact CG2-CD2 4.35Å; I453-L457 HydrophobicContact CG2-CG 4.46Å; I453-L457 WeakPolarHBondContact O-CG 3.32Å; I453-L457 PolarHBondContact O-N 3.36Å; I453-S500 WeakPolarHBondContact CG2-OG 3.32Å; I453-L503 HydrophobicContact CG2-CD1 3.83Å; I453-L504 HydrophobicContact CD1-CB 4.09Å
454	L	95	Very high	92.9	Very high	53 Å²	53	60.3 Å²	60.3	28%	0.277	30%	0.3	S	S	.	.	H	α-helix	trans	-56.5	-42.1	-177.9	-172.5	141.3	0	0	0	111.7	I450 Q451 D456 P496 L497 S500	I450-L454 WeakPolarHBondContact O-CB 3.38Å; I450-L454 PolarHBondContact O-N 2.93Å; Q451-L454 PolarHBondContact O-N 2.96Å; L454-D456 VanDerWaalsContact C-N 3.31Å; L454-D456 PolarHBondContact O-N 2.92Å; L454-P496 HydrophobicContact CD1-CB 4.28Å; L454-P496 HydrophobicContact CG-CB 4.27Å; L454-L497 HydrophobicContact CD1-CB 4.27Å; L454-L497 HydrophobicContact CD1-CD1 4.35Å; L454-S500 WeakPolarHBondContact CA-OG 3.45Å; L454-S500 PolarHBondContact N-OG 3.5Å
455	N	94.7	Very high	93.7	Very high	95 Å²	95	54.2 Å²	54.2	51%	0.508	27%	0.267	S	S	.	.	H	α-helix	trans	-68.2	-28.6	176.7	-70.5	-28.3	0	0	0	113.2	Q451 L452 I453 H458	Q451-N455 WeakPolarHBondContact O-CB 3.43Å; Q451-N455 VanDerWaalsContact O-CG 3.24Å; Q451-N455 PolarHBondContact O-N 3.47Å; Q451-N455 PolarHBondContact O-ND2 3.23Å; Q451-N455 VanDerWaalsContact O-ND2 3.15Å; L452-N455 PolarHBondContact O-N 3.06Å; I453-N455 VanDerWaalsContact C-N 3.26Å; I453-N455 PolarHBondContact O-N 3.28Å; N455-H458 PolarHBondContact O-CE1 3.4Å; N455-H458 PolarHBondContact O-ND1 3.44Å
456	D	95.6	Very high	93.8	Very high	46 Å²	46	53.1 Å²	53.1	25%	0.246	26%	0.261	C	S	.	.	H	α-helix	trans	-97.2	-12.7	-173.5	-81.6	-2.1	0	0	0	114.5	L452 I453 L454 H458 K459 Y460	L452-D456 WeakPolarHBondContact O-CB 3.24Å; L452-D456 PolarHBondContact O-N 3.38Å; L452-D456 VanDerWaalsContact O-N 3.12Å; I453-D456 CarbonylContact O-C 3.56Å; I453-D456 PolarHBondContact O-N 2.9Å; L454-D456 VanDerWaalsContact C-N 3.31Å; L454-D456 PolarHBondContact O-N 2.92Å; D456-H458 PolarHBondContact O-N 3.16Å; D456-H458 VanDerWaalsContact O-N 3.08Å; D456-K459 HydrophobicContact CB-CD 4.29Å; D456-K459 VanDerWaalsContact O-CB 3.28Å; D456-K459 WeakPolarHBondContact O-CB 3.45Å; D456-K459 PolarHBondContact O-N 2.87Å; D456-K459 WeakPolarHBondContact OD1-CE 3.43Å; D456-K459 IonicContact OD1-NZ 2.67Å; D456-K459 PolarHBondContact OD1-NZ 3.29Å; D456-K459 IonicContact OD2-NZ 2.7Å; D456-Y460 HydrophobicContact CB-CE2 4.2Å; D456-Y460 VanDerWaalsContact O-CD2 3.31Å; D456-Y460 WeakPolarHBondContact O-CD2 3.15Å
457	L	96.8	Very high	93.3	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-46.3	-44.2	-178.4	-79.5	169.4	0	0	0	113.4	I426 I431 I453 K459 Y460 Y493 P496 A499 L503	I426-L457 HydrophobicContact CD1-CD2 3.6Å; I426-L457 WeakPolarHBondContact CG2-O 3.11Å; I431-L457 HydrophobicContact CD1-CD2 3.87Å; I453-L457 HydrophobicContact CG2-CD2 4.35Å; I453-L457 HydrophobicContact CG2-CG 4.46Å; I453-L457 WeakPolarHBondContact O-CG 3.32Å; I453-L457 PolarHBondContact O-N 3.36Å; L457-K459 PolarHBondContact O-N 3.27Å; L457-K459 VanDerWaalsContact O-N 3.17Å; L457-Y460 PolarHBondContact O-N 3.25Å; L457-Y460 VanDerWaalsContact O-N 3.09Å; L457-Y493 WeakPolarHBondContact CB-OH 3.46Å; L457-Y493 HydrophobicContact CD1-CE2 4.17Å; L457-Y493 HydrophobicContact CD2-CE1 4.19Å; L457-P496 HydrophobicContact CD1-CB 3.7Å; L457-A499 HydrophobicContact CD1-CB 4.44Å; L457-A499 HydrophobicContact CD2-CB 4.45Å; L457-L503 HydrophobicContact CD2-CD1 3.8Å
458	H	93.5	Very high	92.2	Very high	117 Å²	117	50.4 Å²	50.4	54%	0.542	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59.6	-27.2	-179.2	71	-84.1	0	0	0	113.8	N455 D456 Y460	N455-H458 PolarHBondContact O-CE1 3.4Å; N455-H458 PolarHBondContact O-ND1 3.44Å; D456-H458 PolarHBondContact O-N 3.16Å; D456-H458 VanDerWaalsContact O-N 3.08Å; H458-Y460 PolarHBondContact O-N 3.02Å
459	K	95.9	Very high	90.4	Very high	126 Å²	126	50.6 Å²	50.6	55%	0.548	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-72.1	-17.4	-179.8	-58.3	175.7	179	166.5	0	112.9	D456 L457	D456-K459 HydrophobicContact CB-CD 4.29Å; D456-K459 VanDerWaalsContact O-CB 3.28Å; D456-K459 WeakPolarHBondContact O-CB 3.45Å; D456-K459 PolarHBondContact O-N 2.87Å; D456-K459 WeakPolarHBondContact OD1-CE 3.43Å; D456-K459 IonicContact OD1-NZ 2.67Å; D456-K459 PolarHBondContact OD1-NZ 3.29Å; D456-K459 IonicContact OD2-NZ 2.7Å; L457-K459 PolarHBondContact O-N 3.27Å; L457-K459 VanDerWaalsContact O-N 3.17Å
460	Y	97.4	Very high	88.3	Confident	46 Å²	46	52.9 Å²	52.9	18%	0.18	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-107.1	9.3	-174.5	-62.8	-79.7	0	0	0	113.2	I426 Q427 I431 S434 D456 L457 H458	I426-Y460 CarbonylContact C-O 3.55Å; I426-Y460 WeakPolarHBondContact CA-O 3.21Å; I426-Y460 WeakPolarHBondContact CB-O 3.36Å; Q427-Y460 PolarHBondContact N-O 3.49Å; I431-Y460 HydrophobicContact CB-CD1 3.91Å; I431-Y460 HydrophobicContact CB-CD2 3.88Å; I431-Y460 HydrophobicContact CB-CE1 4.29Å; I431-Y460 HydrophobicContact CB-CE2 4.23Å; I431-Y460 HydrophobicContact CB-CG 3.71Å; I431-Y460 HydrophobicContact CD1-CD2 3.52Å; I431-Y460 HydrophobicContact CD1-CE2 4.02Å; I431-Y460 HydrophobicContact CD1-CG 4.08Å; I431-Y460 HydrophobicContact CG1-CD2 3.65Å; I431-Y460 HydrophobicContact CG1-CE2 3.79Å; I431-Y460 HydrophobicContact CG1-CG 4.04Å; S434-Y460 WeakPolarHBondContact CB-OH 3.46Å; S434-Y460 PolarHBondContact OG-OH 2.81Å; D456-Y460 HydrophobicContact CB-CE2 4.2Å; D456-Y460 VanDerWaalsContact O-CD2 3.31Å; D456-Y460 WeakPolarHBondContact O-CD2 3.15Å; L457-Y460 PolarHBondContact O-N 3.25Å; L457-Y460 VanDerWaalsContact O-N 3.09Å; H458-Y460 PolarHBondContact O-N 3.02Å
461	Q	96.9	Very high	85.9	Confident	30 Å²	30	62.3 Å²	62.3	14%	0.14	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-56.8	144.1	176.7	-73.8	-159.2	18.2	0	0	111.9	L250 H415 N419 V425 I426	L250-Q461 HydrophobicContact CD2-CB 4.48Å; H415-Q461 PolarHBondContact CE1-OE1 2.89Å; H415-Q461 PolarHBondContact NE2-OE1 3.22Å; H415-Q461 VanDerWaalsContact NE2-OE1 3.08Å; N419-Q461 PolarHBondContact ND2-OE1 3.48Å; N419-Q461 PolarHBondContact OD1-NE2 2.77Å; N419-Q461 VanDerWaalsContact OD1-NE2 3.08Å; V425-Q461 WeakPolarHBondContact O-CA 3.32Å; I426-Q461 HydrophobicContact CG2-CG 4.34Å
462	I	96.7	Very high	83.3	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	32%	0.323	C	S	.	.			trans	-61.4	137.8	172	-62.4	179.3	0	0	0	109.3	T411 V425 Q427 Y464 L490	T411-I462 HydrophobicContact CG2-CD1 4.47Å; V425-I462 HydrophobicContact CG1-CD1 3.66Å; V425-I462 HydrophobicContact CG1-CG1 4.37Å; V425-I462 PolarHBondContact O-N 3.04Å; Q427-I462 HydrophobicContact CG-CG1 4.21Å; I462-Y464 HydrophobicContact CB-CE2 4.3Å; I462-Y464 HydrophobicContact CG2-CE1 3.98Å; I462-Y464 HydrophobicContact CG2-CE2 4.12Å; I462-Y464 VanDerWaalsContact O-CE2 3.27Å; I462-Y464 WeakPolarHBondContact O-CE2 3.42Å; I462-L490 HydrophobicContact CD1-CB 4.07Å; I462-L490 HydrophobicContact CD1-CD2 4.25Å
463	Q	95.5	Very high	80.5	Confident	101 Å²	101	67 Å²	67	47%	0.472	34%	0.335	S	S	.	.			trans	-108.9	144.3	177.5	-66.5	-179.5	-40.5	0	0	110.6	G249	G249-Q463 CarbonylContact O-C 3.54Å; G249-Q463 WeakPolarHBondContact O-CA 3.34Å
464	Y	96.5	Very high	78	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.381	C	S	.	.			trans	-114.8	-4.4	-167.2	-63.9	-81.8	0	0	0	114.2	W175 F244 G249 P251 V408 T411 C412 H415 I462 I466	W175-Y464 AromaticContact CD1-CD1 3.94Å; W175-Y464 PolarHBondContact NE1-O 3.07Å; F244-Y464 HydrophobicContact CB-CG 4.41Å; F244-Y464 WeakPolarHBondContact CE2-O 3.35Å; F244-Y464 WeakPolarHBondContact CZ-O 3.41Å; G249-Y464 WeakPolarHBondContact O-CD2 3.48Å; G249-Y464 PolarHBondContact O-N 3.46Å; P251-Y464 HydrophobicContact CB-CD2 3.87Å; P251-Y464 HydrophobicContact CB-CE2 3.75Å; P251-Y464 HydrophobicContact CG-CD2 4.08Å; P251-Y464 HydrophobicContact CG-CE2 3.65Å; V408-Y464 HydrophobicContact CB-CD1 3.74Å; V408-Y464 HydrophobicContact CB-CE1 3.98Å; V408-Y464 HydrophobicContact CG1-CD1 4.06Å; V408-Y464 HydrophobicContact CG1-CE1 4.27Å; V408-Y464 WeakPolarHBondContact O-CE1 3.27Å; T411-Y464 PolarHBondContact O-OH 3.47Å; T411-Y464 WeakPolarHBondContact OG1-CE1 3.41Å; T411-Y464 PolarHBondContact OG1-OH 3.07Å; T411-Y464 VanDerWaalsContact OG1-OH 3.13Å; C412-Y464 HydrophobicContact CB-CD1 3.49Å; C412-Y464 VanDerWaalsContact CB-CD1 3.49Å; C412-Y464 HydrophobicContact CB-CE1 3.38Å; C412-Y464 HydrophobicContact CB-CG 4.25Å; C412-Y464 VanDerWaalsContact SG-CD1 3.55Å; H415-Y464 WeakPolarHBondContact CB-OH 3.44Å; H415-Y464 AromaticContact ND1-CE2 3.46Å; H415-Y464 WeakPolarHBondContact ND1-CE2 3.39Å; H415-Y464 AromaticContact ND1-CZ 3.64Å; H415-Y464 PolarHBondContact ND1-OH 3.44Å; I462-Y464 HydrophobicContact CB-CE2 4.3Å; I462-Y464 HydrophobicContact CG2-CE1 3.98Å; I462-Y464 HydrophobicContact CG2-CE2 4.12Å; I462-Y464 VanDerWaalsContact O-CE2 3.27Å; I462-Y464 WeakPolarHBondContact O-CE2 3.42Å; Y464-I466 PolarHBondContact O-N 3.28Å; Y464-I466 VanDerWaalsContact O-N 3.14Å
465	N	93.6	Very high	75.5	Confident	30 Å²	30	81 Å²	81	16%	0.16	39%	0.394	C	S	.	.			trans	-84	29.6	179.9	64	-19	0	0	0	114.4	F244 C246 G249 L467 S469	F244-N465 HydrophobicContact CD2-CB 4.46Å; F244-N465 HydrophobicContact CE2-CB 4.01Å; C246-N465 VanDerWaalsContact O-CB 3.27Å; C246-N465 WeakPolarHBondContact O-CB 3.35Å; C246-N465 PolarHBondContact O-ND2 3.3Å; G249-N465 VanDerWaalsContact CA-CG 3.44Å; N465-L467 VanDerWaalsContact C-N 3.33Å; N465-L467 PolarHBondContact O-N 2.87Å; N465-S469 WeakPolarHBondContact O-CB 3.2Å; N465-S469 PolarHBondContact O-N 3.07Å; N465-S469 PolarHBondContact O-OG 2.97Å
466	I	88.1	Confident	73.2	Confident	45 Å²	45	82.6 Å²	82.6	23%	0.231	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-37.2	-174.1	-55.7	-176.8	0	0	0	112.3	V408 Y464 S469 K483	V408-I466 HydrophobicContact CG1-CD1 3.52Å; V408-I466 HydrophobicContact CG1-CG1 4.48Å; Y464-I466 PolarHBondContact O-N 3.28Å; Y464-I466 VanDerWaalsContact O-N 3.14Å; I466-S469 PolarHBondContact O-OG 3.21Å; I466-K483 HydrophobicContact CG2-CB 3.94Å
467	L	77.5	Confident	70.7	Confident	28 Å²	28	87.8 Å²	87.8	15%	0.147	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-30.8	-175.6	-64.3	-172.1	0	0	0	114.4	F84 W175 N465 S470 I479	F84-L467 HydrophobicContact CB-CD1 4.42Å; F84-L467 HydrophobicContact CD1-CD1 3.89Å; F84-L467 HydrophobicContact CE1-CD1 4.43Å; F84-L467 HydrophobicContact CG-CD1 4.19Å; W175-L467 HydrophobicContact CH2-CD1 3.4Å; W175-L467 HydrophobicContact CH2-CG 3.85Å; W175-L467 HydrophobicContact CZ2-CD1 3.96Å; W175-L467 HydrophobicContact CZ2-CG 4.01Å; W175-L467 HydrophobicContact CZ3-CD1 4.37Å; N465-L467 VanDerWaalsContact C-N 3.33Å; N465-L467 PolarHBondContact O-N 2.87Å; L467-S470 PolarHBondContact O-OG 2.82Å; L467-I479 HydrophobicContact CD1-CD1 4.38Å; L467-I479 HydrophobicContact CD1-CG2 3.72Å; L467-I479 HydrophobicContact CD2-CG2 3.45Å; L467-I479 VanDerWaalsContact CD2-CG2 3.45Å; L467-I479 HydrophobicContact CG-CG2 4.23Å
468	K	64.8	Low	68.7	Low	76 Å²	76	91.8 Å²	91.8	33%	0.33	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-18.3	179.7	-88.8	-177.7	175.2	-178.9	0	113.2	S82 F84 E170 F172 C246 S470	S82-K468 PolarHBondContact OG-NZ 2.98Å; F84-K468 HydrophobicContact CZ-CG 4.35Å; E170-K468 PolarHBondContact O-NZ 3.45Å; F172-K468 PolarHBondContact O-NZ 3.27Å; C246-K468 HydrophobicContact CB-CD 3.85Å; C246-K468 WeakPolarHBondContact SG-CD 3.46Å; C246-K468 PolarHBondContact SG-NZ 3.33Å; K468-S470 VanDerWaalsContact C-N 3.34Å
469	S	53.2	Low	67.3	Low	84 Å²	84	89.7 Å²	89.7	59%	0.587	45%	0.45	S	S	*	.	S	Bend	trans	-76.2	-18.7	-179.9	49.9	0	0	0	0	114.1	N465 I466 E471	N465-S469 WeakPolarHBondContact O-CB 3.2Å; N465-S469 PolarHBondContact O-N 3.07Å; N465-S469 PolarHBondContact O-OG 2.97Å; I466-S469 PolarHBondContact O-OG 3.21Å; S469-E471 PolarHBondContact O-N 3.27Å
470	S	46.9	Very low	66.4	Low	49 Å²	49	88 Å²	88	34%	0.343	45%	0.447	S	S	.	.			trans	-86.1	108.3	171.5	43.3	0	0	0	0	110.1	L467 K468 E472	L467-S470 PolarHBondContact O-OG 2.82Å; K468-S470 VanDerWaalsContact C-N 3.34Å; S470-E472 PolarHBondContact O-N 2.77Å
471	E	42.1	Very low	65.7	Low	208 Å²	208	88.8 Å²	88.8	97%	0.972	45%	0.454	S	S	*	.	S	Bend	trans	-55.7	-10.1	167.4	-70.8	-176.3	148.9	0	0	113	S469	S469-E471 PolarHBondContact O-N 3.27Å
472	E	37.2	Very low	65.1	Low	154 Å²	154	89.9 Å²	89.9	72%	0.72	47%	0.465	S	S	*	.	S	Bend	trans	-95	117.5	178.7	-65.9	178.2	163.7	0	0	111.5	S470	S470-E472 PolarHBondContact O-N 2.77Å
473	N	37.4	Very low	64.6	Low	107 Å²	107	95.3 Å²	95.3	57%	0.572	49%	0.489	S	S	*	.			trans	103.6	71.8	163.6	-54.3	-37.3	0	0	0	117.7	T475	N473-T475 PolarHBondContact O-N 3.07Å
474	R	42.4	Very low	64.5	Low	259 Å²	259	90.5 Å²	90.5	98%	0.977	47%	0.466	S	S	*	.			trans	-70.9	18.7	149.9	-73.3	-176.5	175.5	178.2	-2.3	114
475	T	41.8	Very low	64.3	Low	91 Å²	91	91.1 Å²	91.1	56%	0.558	47%	0.47	S	S	*	.			trans	-108.8	106	167.8	49.5	0	0	0	0	108.2	N473 N477	N473-T475 PolarHBondContact O-N 3.07Å; T475-N477 PolarHBondContact O-N 3.48Å
476	L	46.3	Very low	64.4	Low	130 Å²	130	90.3 Å²	90.3	68%	0.681	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	1.1	-174.1	-131.9	81.7	0	0	0	115.5
477	N	43.5	Very low	64.6	Low	154 Å²	154	95 Å²	95	82%	0.824	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	3.9	-162.8	-72.5	-6.2	0	0	0	115.8	T475	T475-N477 PolarHBondContact O-N 3.48Å
478	S	54.9	Low	65.4	Low	88 Å²	88	96.4 Å²	96.4	62%	0.615	49%	0.489	S	S	*	.			trans	-155.7	51.4	169.6	63.5	0	0	0	0	114.3	N480	S478-N480 PolarHBondContact O-N 3.07Å; S478-N480 VanDerWaalsContact O-N 3.08Å
479	I	65.5	Low	66.9	Low	73 Å²	73	92.8 Å²	92.8	37%	0.374	47%	0.473	S	S	.	.			trans	-63.9	114.6	169.7	-66.8	170.6	0	0	0	108.2	L467 L481	L467-I479 HydrophobicContact CD1-CD1 4.38Å; L467-I479 HydrophobicContact CD1-CG2 3.72Å; L467-I479 HydrophobicContact CD2-CG2 3.45Å; L467-I479 VanDerWaalsContact CD2-CG2 3.45Å; L467-I479 HydrophobicContact CG-CG2 4.23Å; I479-L481 HydrophobicContact CG2-CD2 4.1Å; I479-L481 PolarHBondContact O-N 3.19Å
480	N	75.9	Confident	69	Low	91 Å²	91	88.8 Å²	88.8	49%	0.487	45%	0.445	S	S	.	.			trans	-76.1	89.4	177.3	-173.9	-13.6	0	0	0	110.2	S478 S482 K483	S478-N480 PolarHBondContact O-N 3.07Å; S478-N480 VanDerWaalsContact O-N 3.08Å; N480-S482 PolarHBondContact O-N 3.21Å; N480-S482 VanDerWaalsContact OD1-CB 3.26Å; N480-S482 WeakPolarHBondContact OD1-CB 3.14Å; N480-S482 PolarHBondContact OD1-N 3.23Å; N480-S482 VanDerWaalsContact OD1-N 3.15Å; N480-S482 PolarHBondContact OD1-OG 3.33Å; N480-K483 WeakPolarHBondContact O-CB 3.37Å; N480-K483 PolarHBondContact O-N 2.74Å; N480-K483 VanDerWaalsContact O-N 3.09Å
481	L	83.8	Confident	71.4	Confident	62 Å²	62	86.5 Å²	86.5	33%	0.325	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-59.1	-15.9	-179.7	-67.5	175.6	0	0	0	113.8	W409 I479 K483 C484	W409-L481 HydrophobicContact CH2-CB 4.16Å; W409-L481 HydrophobicContact CH2-CD2 4.23Å; W409-L481 HydrophobicContact CZ3-CD2 3.95Å; I479-L481 HydrophobicContact CG2-CD2 4.1Å; I479-L481 PolarHBondContact O-N 3.19Å; L481-K483 PolarHBondContact O-N 3.37Å; L481-K483 VanDerWaalsContact O-N 3.12Å; L481-C484 VanDerWaalsContact O-CB 3.23Å; L481-C484 WeakPolarHBondContact O-CB 3.4Å; L481-C484 PolarHBondContact O-N 3.42Å
482	S	83.2	Confident	74.1	Confident	54 Å²	54	76.6 Å²	76.6	38%	0.378	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17	173.1	77.2	0	0	0	0	113.9	N480 C484 C485 R487	N480-S482 PolarHBondContact O-N 3.21Å; N480-S482 VanDerWaalsContact OD1-CB 3.26Å; N480-S482 WeakPolarHBondContact OD1-CB 3.14Å; N480-S482 PolarHBondContact OD1-N 3.23Å; N480-S482 VanDerWaalsContact OD1-N 3.15Å; N480-S482 PolarHBondContact OD1-OG 3.33Å; S482-C484 VanDerWaalsContact C-N 3.31Å; S482-C485 WeakPolarHBondContact O-CB 3.39Å; S482-R487 PolarHBondContact O-NH2 2.87Å
483	K	86.7	Confident	77	Confident	117 Å²	117	69.5 Å²	69.5	51%	0.509	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-73	-26	171.3	-67.8	-175.4	178.2	-179.5	0	112	I466 N480 L481 C485	I466-K483 HydrophobicContact CG2-CB 3.94Å; N480-K483 WeakPolarHBondContact O-CB 3.37Å; N480-K483 PolarHBondContact O-N 2.74Å; N480-K483 VanDerWaalsContact O-N 3.09Å; L481-K483 PolarHBondContact O-N 3.37Å; L481-K483 VanDerWaalsContact O-N 3.12Å; K483-C485 PolarHBondContact O-N 3.29Å
484	C	92.5	Very high	79.5	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-78.6	-0.7	-179.9	-67.4	0	0	0	0	113.8	W175 F407 V408 W409 L481 S482	W175-C484 VanDerWaalsContact CH2-SG 3.53Å; F407-C484 CarbonylContact C-O 3.49Å; F407-C484 VanDerWaalsContact CA-O 3.28Å; F407-C484 WeakPolarHBondContact CA-O 3.33Å; F407-C484 HydrophobicContact CD1-CB 4.3Å; V408-C484 HydrophobicContact CG2-CB 3.78Å; V408-C484 PolarHBondContact N-O 3.47Å; W409-C484 HydrophobicContact CE3-CB 4.24Å; W409-C484 HydrophobicContact CH2-CB 4.09Å; W409-C484 HydrophobicContact CZ3-CB 3.47Å; W409-C484 VanDerWaalsContact CZ3-CB 3.47Å; L481-C484 VanDerWaalsContact O-CB 3.23Å; L481-C484 WeakPolarHBondContact O-CB 3.4Å; L481-C484 PolarHBondContact O-N 3.42Å; S482-C484 VanDerWaalsContact C-N 3.31Å
485	C	93.6	Very high	81.9	Confident	13 Å²	13	56.2 Å²	56.2	9%	0.088	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-74.6	135.4	178.3	174.7	0	0	0	0	111.5	P404 F407 S482 K483 R487	P404-C485 PolarHBondContact O-SG 2.86Å; F407-C485 HydrophobicContact CD1-CB 3.88Å; F407-C485 HydrophobicContact CE1-CB 3.67Å; F407-C485 HydrophobicContact CZ-CB 4.33Å; S482-C485 WeakPolarHBondContact O-CB 3.39Å; K483-C485 PolarHBondContact O-N 3.29Å; C485-R487 HydrophobicContact CB-CG 4.27Å; C485-R487 PolarHBondContact O-N 3.11Å
486	N	94.5	Very high	84.4	Confident	13 Å²	13	53.8 Å²	53.8	7%	0.07	28%	0.282	C	S	.	.			trans	-74.2	70.2	172.8	-63	-41.5	0	0	0	110.7	P404 T406 F407 N488 G489	P404-N486 WeakPolarHBondContact CA-O 3.35Å; T406-N486 WeakPolarHBondContact O-CB 3.5Å; T406-N486 PolarHBondContact O-N 2.97Å; T406-N486 PolarHBondContact OG1-ND2 3.28Å; F407-N486 VanDerWaalsContact C-ND2 3.28Å; F407-N486 PolarHBondContact O-ND2 3.11Å; N486-N488 PolarHBondContact O-N 3.06Å; N486-G489 PolarHBondContact O-N 2.8Å
487	R	93.4	Very high	86.6	Confident	143 Å²	143	48.9 Å²	48.9	54%	0.54	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.6	-170.9	-68.9	-178.7	-175.9	-172.3	-0.3	114.5	K429 S482 C485 G489	K429-R487 PolarHBondContact NZ-O 2.83Å; S482-R487 PolarHBondContact O-NH2 2.87Å; C485-R487 HydrophobicContact CB-CG 4.27Å; C485-R487 PolarHBondContact O-N 3.11Å; R487-G489 PolarHBondContact O-N 2.99Å
488	N	94.7	Very high	88.9	Confident	58 Å²	58	43 Å²	43	31%	0.31	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	6.3	-177.3	-68.3	-30.1	0	0	0	113.6	Q427 L428 K429 S430 N486	Q427-N488 HydrophobicContact CB-CB 3.94Å; Q427-N488 HydrophobicContact CG-CB 4.47Å; Q427-N488 PolarHBondContact OE1-ND2 2.68Å; L428-N488 PolarHBondContact N-O 3.49Å; K429-N488 HydrophobicContact CB-CB 4.17Å; K429-N488 WeakPolarHBondContact CB-O 3.48Å; K429-N488 VanDerWaalsContact CG-O 3.28Å; K429-N488 WeakPolarHBondContact CG-O 3.45Å; K429-N488 PolarHBondContact N-O 3.16Å; S430-N488 PolarHBondContact OG-ND2 3.27Å; S430-N488 VanDerWaalsContact OG-ND2 3.09Å; N486-N488 PolarHBondContact O-N 3.06Å
489	G	95.1	Very high	90.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	20%	0.195	C	C	.	.			trans	62.2	-174.2	-165.5	0	0	0	0	0	110.6	L401 L428 N486 R487	L401-G489 CarbonylContact O-C 3.46Å; L401-G489 WeakPolarHBondContact O-CA 3.37Å; L428-G489 PolarHBondContact N-O 2.97Å; N486-G489 PolarHBondContact O-N 2.8Å; R487-G489 PolarHBondContact O-N 2.99Å
490	L	97.5	Very high	92.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.8	177.1	64	80.9	0	0	0	113.7	F399 L401 T406 T411 V425 I426 I462 A492	F399-L490 HydrophobicContact CD1-CD1 3.75Å; F399-L490 HydrophobicContact CE1-CD1 3.72Å; F399-L490 HydrophobicContact CG-CD1 4.4Å; F399-L490 HydrophobicContact CZ-CD1 4.31Å; L401-L490 HydrophobicContact CB-CD1 4.16Å; L401-L490 HydrophobicContact CB-CG 4.04Å; L401-L490 HydrophobicContact CD2-CG 4.36Å; L401-L490 PolarHBondContact N-O 3.25Å; L401-L490 PolarHBondContact O-N 3.4Å; L401-L490 VanDerWaalsContact O-O 3.12Å; T406-L490 WeakPolarHBondContact OG1-CD2 3.5Å; T411-L490 HydrophobicContact CG2-CD2 3.56Å; V425-L490 HydrophobicContact CG1-CB 4.1Å; V425-L490 HydrophobicContact CG1-CD1 4.37Å; V425-L490 HydrophobicContact CG1-CD2 4.25Å; V425-L490 HydrophobicContact CG1-CG 4.48Å; I426-L490 WeakPolarHBondContact O-CA 3.44Å; I462-L490 HydrophobicContact CD1-CB 4.07Å; I462-L490 HydrophobicContact CD1-CD2 4.25Å; L490-A492 HydrophobicContact CD1-CB 4.32Å
491	L	98.2	Very high	93.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.1	161.2	176.7	70.2	0	0	0	107.1	A398 F399 I400 V425 I426 L428 Y493 A499 I502 L503	A398-L491 HydrophobicContact CB-CD1 3.85Å; F399-L491 WeakPolarHBondContact O-CA 3.15Å; I400-L491 HydrophobicContact CD1-CD1 4.29Å; I400-L491 HydrophobicContact CG1-CD1 3.69Å; V425-L491 WeakPolarHBondContact CA-O 3.45Å; I426-L491 HydrophobicContact CD1-CB 4.3Å; I426-L491 HydrophobicContact CD1-CD2 4.16Å; I426-L491 HydrophobicContact CG1-CB 3.88Å; I426-L491 PolarHBondContact N-O 3.32Å; I426-L491 PolarHBondContact O-N 3.5Å; L428-L491 HydrophobicContact CD1-CB 4.27Å; L491-Y493 HydrophobicContact CD2-CD1 4.25Å; L491-Y493 HydrophobicContact CG-CD1 4.1Å; L491-A499 HydrophobicContact CD2-CB 3.99Å; L491-I502 HydrophobicContact CD1-CG2 4.31Å; L491-I502 HydrophobicContact CD2-CG2 4.5Å; L491-L503 HydrophobicContact CD2-CD1 4.14Å; L491-L503 HydrophobicContact CD2-CD2 3.89Å; L491-L503 HydrophobicContact CD2-CG 3.77Å
492	A	98.4	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.9	169.5	0	0	0	0	0	108.8	Q388 V391 A398 F399 I418 G424 V425 L490	Q388-A492 HydrophobicContact CG-CB 4.33Å; V391-A492 HydrophobicContact CG2-CB 4.48Å; A398-A492 CarbonylContact C-O 3.47Å; A398-A492 WeakPolarHBondContact CA-O 3.37Å; A398-A492 WeakPolarHBondContact CB-O 3.39Å; F399-A492 HydrophobicContact CB-CB 4.2Å; F399-A492 HydrophobicContact CD1-CB 4.38Å; F399-A492 PolarHBondContact N-O 2.97Å; F399-A492 PolarHBondContact O-N 3.34Å; I418-A492 HydrophobicContact CD1-CB 4.02Å; G424-A492 WeakPolarHBondContact O-CA 3.39Å; V425-A492 HydrophobicContact CB-CB 4.46Å; V425-A492 HydrophobicContact CG1-CB 4.18Å; V425-A492 HydrophobicContact CG2-CB 3.8Å; L490-A492 HydrophobicContact CD1-CB 4.32Å
493	Y	97	Very high	94.2	Very high	6 Å²	6	27 Å²	27	2%	0.024	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.1	-174.4	62.3	-89	0	0	0	110.8	I418 G423 G424 I426 L457 L491 P496 A499	I418-Y493 WeakPolarHBondContact CG2-O 3.41Å; G423-Y493 CarbonylContact C-O 3.54Å; G423-Y493 WeakPolarHBondContact CA-O 3.41Å; G424-Y493 PolarHBondContact N-O 2.99Å; G424-Y493 WeakPolarHBondContact O-CD1 3.23Å; G424-Y493 WeakPolarHBondContact O-CE1 3.26Å; G424-Y493 PolarHBondContact O-N 3.27Å; I426-Y493 HydrophobicContact CD1-CE1 4.08Å; I426-Y493 HydrophobicContact CG1-CE1 4.09Å; I426-Y493 HydrophobicContact CG2-CE1 3.9Å; L457-Y493 WeakPolarHBondContact CB-OH 3.46Å; L457-Y493 HydrophobicContact CD1-CE2 4.17Å; L457-Y493 HydrophobicContact CD2-CE1 4.19Å; L491-Y493 HydrophobicContact CD2-CD1 4.25Å; L491-Y493 HydrophobicContact CG-CD1 4.1Å; Y493-P496 HydrophobicContact CE2-CB 4.28Å; Y493-P496 HydrophobicContact CE2-CG 4.17Å; Y493-A499 HydrophobicContact CD1-CB 3.66Å; Y493-A499 HydrophobicContact CD2-CB 3.56Å; Y493-A499 HydrophobicContact CE1-CB 4.09Å; Y493-A499 HydrophobicContact CE2-CB 4.03Å; Y493-A499 HydrophobicContact CG-CB 3.38Å
494	R	91.5	Very high	94.6	Very high	22 Å²	22	21.9 Å²	21.9	8%	0.083	11%	0.106	C	C	.	.	S	Bend	trans	-93.6	-34.6	171.7	-165.2	-177.1	-177.1	-171.2	15.3	112.6	T310 V391 D394 L421 G423	T310-R494 PolarHBondContact OG1-NH2 3.24Å; V391-R494 HydrophobicContact CG1-CB 4.36Å; D394-R494 WeakPolarHBondContact OD1-CD 3.4Å; D394-R494 IonicContact OD1-NH1 3.41Å; D394-R494 PolarHBondContact OD1-NH1 2.97Å; D394-R494 IonicContact OD2-NH1 3.82Å; D394-R494 PolarHBondContact OD2-NH1 3.46Å; L421-R494 HydrophobicContact CB-CG 4.15Å; G423-R494 WeakPolarHBondContact CA-O 3.39Å; G423-R494 PolarHBondContact N-O 3.31Å
495	N	91.8	Very high	94.6	Very high	64 Å²	64	23.1 Å²	23.1	34%	0.342	11%	0.112	S	C	.	.			trans	-105.8	112.8	-177.9	-174.4	-23.1	0	0	0	111.3	L497 I498 A499	N495-L497 VanDerWaalsContact C-N 3.26Å; N495-L497 PolarHBondContact O-N 3.48Å; N495-L497 WeakPolarHBondContact OD1-CB 3.46Å; N495-L497 PolarHBondContact OD1-N 2.66Å; N495-I498 HydrophobicContact CB-CB 4.14Å; N495-I498 HydrophobicContact CB-CD1 3.89Å; N495-I498 HydrophobicContact CB-CG1 3.98Å; N495-I498 PolarHBondContact O-N 3.48Å; N495-A499 PolarHBondContact O-N 2.96Å
496	P	94.5	Very high	94.7	Very high	41 Å²	41	22.5 Å²	22.5	27%	0.266	11%	0.108	S	C	.	.	H	α-helix	trans	-57.3	-33.6	178.4	-26.1	34.6	0	0	0	114.4	L454 L457 Y493 A499 S500	L454-P496 HydrophobicContact CD1-CB 4.28Å; L454-P496 HydrophobicContact CG-CB 4.27Å; L457-P496 HydrophobicContact CD1-CB 3.7Å; Y493-P496 HydrophobicContact CE2-CB 4.28Å; Y493-P496 HydrophobicContact CE2-CG 4.17Å; P496-A499 PolarHBondContact O-N 2.96Å; P496-S500 PolarHBondContact O-N 3.44Å; P496-S500 PolarHBondContact O-OG 3.48Å; P496-S500 VanDerWaalsContact O-OG 3.05Å
497	L	92	Very high	94.6	Very high	26 Å²	26	21.9 Å²	21.9	14%	0.136	10%	0.104	C	C	.	.	H	α-helix	trans	-69.1	-45.6	179.8	-179	62.5	0	0	0	111.4	L318 I450 L454 N495 A499 S500 Q501	L318-L497 HydrophobicContact CD1-CD2 4.18Å; L318-L497 HydrophobicContact CD2-CD2 4.01Å; I450-L497 HydrophobicContact CG2-CD1 3.77Å; L454-L497 HydrophobicContact CD1-CB 4.27Å; L454-L497 HydrophobicContact CD1-CD1 4.35Å; N495-L497 VanDerWaalsContact C-N 3.26Å; N495-L497 PolarHBondContact O-N 3.48Å; N495-L497 WeakPolarHBondContact OD1-CB 3.46Å; N495-L497 PolarHBondContact OD1-N 2.66Å; L497-A499 VanDerWaalsContact C-N 3.29Å; L497-A499 PolarHBondContact O-N 3.32Å; L497-S500 PolarHBondContact O-N 3.03Å; L497-Q501 WeakPolarHBondContact O-CG 3.5Å; L497-Q501 PolarHBondContact O-N 3.3Å
498	I	91.6	Very high	94.5	Very high	32 Å²	32	18.5 Å²	18.5	16%	0.164	10%	0.096	C	C	.	.	H	α-helix	trans	-61.2	-43.1	175.9	-63.5	178.1	0	0	0	109.6	L347 D397 N495 S500 Q501 I502	L347-I498 HydrophobicContact CD1-CG2 3.83Å; D397-I498 HydrophobicContact CB-CD1 4.3Å; D397-I498 HydrophobicContact CB-CG2 4.14Å; N495-I498 HydrophobicContact CB-CB 4.14Å; N495-I498 HydrophobicContact CB-CD1 3.89Å; N495-I498 HydrophobicContact CB-CG1 3.98Å; N495-I498 PolarHBondContact O-N 3.48Å; I498-S500 PolarHBondContact O-N 2.79Å; I498-Q501 PolarHBondContact O-N 3.23Å; I498-I502 HydrophobicContact CG2-CD1 3.75Å; I498-I502 HydrophobicContact CG2-CG1 4.3Å; I498-I502 WeakPolarHBondContact O-CB 3.46Å; I498-I502 WeakPolarHBondContact O-CG1 3.36Å; I498-I502 PolarHBondContact O-N 3.26Å
499	A	96	Very high	94.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-45.8	175.7	0	0	0	0	0	112.1	L457 L491 Y493 N495 P496 L497 Q501 I502 L503	L457-A499 HydrophobicContact CD1-CB 4.44Å; L457-A499 HydrophobicContact CD2-CB 4.45Å; L491-A499 HydrophobicContact CD2-CB 3.99Å; Y493-A499 HydrophobicContact CD1-CB 3.66Å; Y493-A499 HydrophobicContact CD2-CB 3.56Å; Y493-A499 HydrophobicContact CE1-CB 4.09Å; Y493-A499 HydrophobicContact CE2-CB 4.03Å; Y493-A499 HydrophobicContact CG-CB 3.38Å; N495-A499 PolarHBondContact O-N 2.96Å; P496-A499 PolarHBondContact O-N 2.96Å; L497-A499 VanDerWaalsContact C-N 3.29Å; L497-A499 PolarHBondContact O-N 3.32Å; A499-Q501 PolarHBondContact O-N 3.21Å; A499-I502 PolarHBondContact O-N 3.47Å; A499-L503 WeakPolarHBondContact O-CB 3.4Å; A499-L503 WeakPolarHBondContact O-CG 3.32Å; A499-L503 PolarHBondContact O-N 3.5Å
500	S	95.5	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-41.8	177.1	-64.9	0	0	0	0	112.8	I453 L454 P496 L497 I498 L503 L504	I453-S500 WeakPolarHBondContact CG2-OG 3.32Å; L454-S500 WeakPolarHBondContact CA-OG 3.45Å; L454-S500 PolarHBondContact N-OG 3.5Å; P496-S500 PolarHBondContact O-N 3.44Å; P496-S500 PolarHBondContact O-OG 3.48Å; P496-S500 VanDerWaalsContact O-OG 3.05Å; L497-S500 PolarHBondContact O-N 3.03Å; I498-S500 PolarHBondContact O-N 2.79Å; S500-L503 PolarHBondContact O-N 3.1Å; S500-L504 WeakPolarHBondContact O-CB 3.33Å; S500-L504 PolarHBondContact O-N 3.25Å
501	Q	93.2	Very high	92.4	Very high	31 Å²	31	31.5 Å²	31.5	15%	0.145	15%	0.154	C	C	.	.	H	α-helix	trans	-64.3	-46.1	176.4	-70.8	170.1	-18.1	0	0	111.6	I450 L497 I498 A499 L503 L504 H505	I450-Q501 HydrophobicContact CD1-CG 4.23Å; L497-Q501 WeakPolarHBondContact O-CG 3.5Å; L497-Q501 PolarHBondContact O-N 3.3Å; I498-Q501 PolarHBondContact O-N 3.23Å; A499-Q501 PolarHBondContact O-N 3.21Å; Q501-L503 PolarHBondContact O-N 2.92Å; Q501-L504 PolarHBondContact O-N 2.9Å; Q501-H505 WeakPolarHBondContact O-CB 3.31Å; Q501-H505 PolarHBondContact O-N 3Å
502	I	94.9	Very high	92.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.2	-50.7	174.8	-74.7	169.4	0	0	0	110.5	L347 L349 F363 A398 I400 L491 I498 A499 L504 H505 I506	L347-I502 HydrophobicContact CD1-CD1 4.28Å; L347-I502 HydrophobicContact CD2-CD1 4.41Å; L347-I502 HydrophobicContact CD2-CG1 4.16Å; L349-I502 HydrophobicContact CD2-CD1 3.79Å; F363-I502 HydrophobicContact CE1-CG1 4.37Å; F363-I502 HydrophobicContact CE1-CG2 4.33Å; F363-I502 HydrophobicContact CZ-CG2 3.91Å; A398-I502 HydrophobicContact CB-CD1 3.81Å; I400-I502 HydrophobicContact CD1-CG2 3.86Å; L491-I502 HydrophobicContact CD1-CG2 4.31Å; L491-I502 HydrophobicContact CD2-CG2 4.5Å; I498-I502 HydrophobicContact CG2-CD1 3.75Å; I498-I502 HydrophobicContact CG2-CG1 4.3Å; I498-I502 WeakPolarHBondContact O-CB 3.46Å; I498-I502 WeakPolarHBondContact O-CG1 3.36Å; I498-I502 PolarHBondContact O-N 3.26Å; A499-I502 PolarHBondContact O-N 3.47Å; I502-L504 PolarHBondContact O-N 2.96Å; I502-H505 WeakPolarHBondContact O-CB 3.49Å; I502-H505 PolarHBondContact O-N 3.42Å; I502-I506 HydrophobicContact CG2-CD1 3.63Å; I502-I506 HydrophobicContact CG2-CG1 4.38Å; I502-I506 VanDerWaalsContact O-CG1 3.24Å; I502-I506 WeakPolarHBondContact O-CG1 3.26Å; I502-I506 PolarHBondContact O-N 3.32Å
503	L	96.4	Very high	91.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-42.4	-177.6	-72.6	169	0	0	0	112.5	I426 L428 I431 L432 I435 I453 L457 L491 A499 S500 Q501 I506 A507	I426-L503 HydrophobicContact CD1-CD1 3.9Å; L428-L503 HydrophobicContact CD1-CD2 3.46Å; L428-L503 VanDerWaalsContact CD1-CD2 3.46Å; I431-L503 HydrophobicContact CD1-CD1 3.75Å; I431-L503 HydrophobicContact CG1-CD1 4.35Å; I431-L503 HydrophobicContact CG2-CD1 4.17Å; I431-L503 HydrophobicContact CG2-CD2 3.68Å; L432-L503 HydrophobicContact CD2-CD2 4.01Å; L432-L503 WeakPolarHBondContact CD2-O 3.34Å; L432-L503 HydrophobicContact CG-CD2 4.33Å; I435-L503 HydrophobicContact CD1-CB 3.6Å; I435-L503 HydrophobicContact CD1-CD1 4.27Å; I435-L503 HydrophobicContact CD1-CG 4.41Å; I453-L503 HydrophobicContact CG2-CD1 3.83Å; L457-L503 HydrophobicContact CD2-CD1 3.8Å; L491-L503 HydrophobicContact CD2-CD1 4.14Å; L491-L503 HydrophobicContact CD2-CD2 3.89Å; L491-L503 HydrophobicContact CD2-CG 3.77Å; A499-L503 WeakPolarHBondContact O-CB 3.4Å; A499-L503 WeakPolarHBondContact O-CG 3.32Å; A499-L503 PolarHBondContact O-N 3.5Å; S500-L503 PolarHBondContact O-N 3.1Å; Q501-L503 PolarHBondContact O-N 2.92Å; L503-I506 PolarHBondContact O-N 3.08Å; L503-A507 WeakPolarHBondContact O-CB 3.11Å; L503-A507 PolarHBondContact O-N 2.81Å
504	L	93.7	Very high	91.5	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-45.3	176.2	178.7	59.2	0	0	0	111	I435 L439 L446 I449 I450 I453 S500 Q501 I502 A507 L508	I435-L504 HydrophobicContact CG2-CD1 4.44Å; L439-L504 HydrophobicContact CD1-CD1 4.32Å; L439-L504 HydrophobicContact CD2-CD1 4.01Å; L439-L504 HydrophobicContact CG-CD1 4.43Å; L446-L504 HydrophobicContact CB-CD2 4.14Å; L446-L504 HydrophobicContact CD2-CD1 4.38Å; L446-L504 HydrophobicContact CD2-CD2 4.23Å; I449-L504 HydrophobicContact CG2-CD1 3.87Å; I450-L504 HydrophobicContact CD1-CD2 4.01Å; I450-L504 HydrophobicContact CG1-CD2 3.61Å; I453-L504 HydrophobicContact CD1-CB 4.09Å; S500-L504 WeakPolarHBondContact O-CB 3.33Å; S500-L504 PolarHBondContact O-N 3.25Å; Q501-L504 PolarHBondContact O-N 2.9Å; I502-L504 PolarHBondContact O-N 2.96Å; L504-A507 PolarHBondContact O-N 3.42Å; L504-L508 HydrophobicContact CD1-CD1 4.13Å; L504-L508 HydrophobicContact CD1-CG 4.16Å; L504-L508 HydrophobicContact CG-CD1 4Å; L504-L508 HydrophobicContact CG-CG 4.48Å; L504-L508 WeakPolarHBondContact O-CG 3.32Å; L504-L508 PolarHBondContact O-N 3Å
505	H	93.4	Very high	91.5	Very high	26 Å²	26	37.3 Å²	37.3	12%	0.12	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-49.8	176.2	179.1	81.9	0	0	0	111.7	L362 Y366 Q501 I502 A507 L508 I509	L362-H505 PolarHBondContact O-NE2 2.9Å; Y366-H505 HydrophobicContact CD2-CB 3.95Å; Y366-H505 AromaticContact CD2-CD2 3.74Å; Y366-H505 AromaticContact CD2-CE1 3.89Å; Y366-H505 AromaticContact CD2-CG 3.47Å; Y366-H505 VanDerWaalsContact CD2-CG 3.47Å; Y366-H505 AromaticContact CD2-ND1 3.59Å; Y366-H505 AromaticContact CD2-NE2 3.99Å; Y366-H505 HydrophobicContact CE2-CB 3.76Å; Y366-H505 AromaticContact CE2-CG 3.84Å; Q501-H505 WeakPolarHBondContact O-CB 3.31Å; Q501-H505 PolarHBondContact O-N 3Å; I502-H505 WeakPolarHBondContact O-CB 3.49Å; I502-H505 PolarHBondContact O-N 3.42Å; H505-A507 VanDerWaalsContact C-N 3.3Å; H505-A507 PolarHBondContact O-N 3.27Å; H505-L508 PolarHBondContact O-N 3.44Å; H505-I509 WeakPolarHBondContact O-CG1 3.46Å; H505-I509 PolarHBondContact O-N 3.21Å; H505-I509 VanDerWaalsContact O-N 3.07Å
506	I	94.7	Very high	91.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-45.1	176.8	-62.1	162.4	0	0	0	110.7	L362 F363 L428 L432 I502 L503 L508 Q510	L362-I506 HydrophobicContact CD1-CG2 4.24Å; L362-I506 HydrophobicContact CD2-CB 4.09Å; L362-I506 HydrophobicContact CD2-CG1 3.5Å; L362-I506 VanDerWaalsContact CD2-CG1 3.5Å; L362-I506 HydrophobicContact CD2-CG2 4.2Å; F363-I506 HydrophobicContact CE2-CG1 4.41Å; F363-I506 HydrophobicContact CZ-CD1 4.32Å; F363-I506 HydrophobicContact CZ-CG1 4.17Å; L428-I506 HydrophobicContact CD1-CD1 4.38Å; L432-I506 HydrophobicContact CD1-CG2 3.68Å; L432-I506 HydrophobicContact CD2-CB 3.88Å; L432-I506 HydrophobicContact CD2-CG2 3.73Å; L432-I506 HydrophobicContact CG-CG2 4.39Å; I502-I506 HydrophobicContact CG2-CD1 3.63Å; I502-I506 HydrophobicContact CG2-CG1 4.38Å; I502-I506 VanDerWaalsContact O-CG1 3.24Å; I502-I506 WeakPolarHBondContact O-CG1 3.26Å; I502-I506 PolarHBondContact O-N 3.32Å; L503-I506 PolarHBondContact O-N 3.08Å; I506-L508 PolarHBondContact O-N 3.42Å; I506-Q510 HydrophobicContact CG2-CG 4.45Å; I506-Q510 WeakPolarHBondContact O-CB 3.49Å; I506-Q510 VanDerWaalsContact O-CG 3.3Å; I506-Q510 WeakPolarHBondContact O-CG 3.49Å; I506-Q510 PolarHBondContact O-N 3.4Å; I506-Q510 VanDerWaalsContact O-N 3.15Å
507	A	93.5	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-36.2	-178.5	0	0	0	0	0	113.1	L432 I435 K436 L439 L503 L504 H505 K511	L432-A507 HydrophobicContact CD2-CB 4.18Å; I435-A507 HydrophobicContact CB-CB 4.12Å; I435-A507 HydrophobicContact CG2-CB 3.49Å; I435-A507 VanDerWaalsContact CG2-CB 3.49Å; K436-A507 HydrophobicContact CG-CB 4.4Å; L439-A507 HydrophobicContact CD1-CB 3.87Å; L503-A507 WeakPolarHBondContact O-CB 3.11Å; L503-A507 PolarHBondContact O-N 2.81Å; L504-A507 PolarHBondContact O-N 3.42Å; H505-A507 VanDerWaalsContact C-N 3.3Å; H505-A507 PolarHBondContact O-N 3.27Å; A507-K511 PolarHBondContact O-N 2.85Å
508	L	90.9	Very high	91.2	Very high	71 Å²	71	35.9 Å²	35.9	37%	0.372	17%	0.171	S	C	.	.	H	α-helix	trans	-69	-43.3	177.2	-74.6	169.6	0	0	0	112.3	L439 L446 L504 H505 I506 Q510 K511	L439-L508 HydrophobicContact CD1-CD2 4.05Å; L439-L508 HydrophobicContact CD1-CG 4.32Å; L439-L508 HydrophobicContact CD2-CD2 3.74Å; L439-L508 HydrophobicContact CD2-CG 4.48Å; L446-L508 HydrophobicContact CD2-CD1 4.39Å; L504-L508 HydrophobicContact CD1-CD1 4.13Å; L504-L508 HydrophobicContact CD1-CG 4.16Å; L504-L508 HydrophobicContact CG-CD1 4Å; L504-L508 HydrophobicContact CG-CG 4.48Å; L504-L508 WeakPolarHBondContact O-CG 3.32Å; L504-L508 PolarHBondContact O-N 3Å; H505-L508 PolarHBondContact O-N 3.44Å; I506-L508 PolarHBondContact O-N 3.42Å; L508-Q510 VanDerWaalsContact C-N 3.29Å; L508-Q510 PolarHBondContact O-N 2.79Å; L508-K511 WeakPolarHBondContact O-CB 3.48Å; L508-K511 PolarHBondContact O-N 3.19Å
509	I	89.3	Confident	91.2	Very high	84 Å²	84	36.2 Å²	36.2	43%	0.431	17%	0.171	S	C	.	.	H	α-helix	trans	-66.2	-33.4	178.7	-64.7	-89.8	0	0	0	111.3	L362 H505	L362-I509 HydrophobicContact CG-CG2 4.23Å; H505-I509 WeakPolarHBondContact O-CG1 3.46Å; H505-I509 PolarHBondContact O-N 3.21Å; H505-I509 VanDerWaalsContact O-N 3.07Å
510	Q	85.2	Confident	90.8	Very high	71 Å²	71	39.3 Å²	39.3	33%	0.332	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4	-178.7	-67.8	-175.1	-4.8	0	0	114.7	L362 M402 I506 L508	L362-Q510 HydrophobicContact CD1-CG 4.39Å; M402-Q510 VanDerWaalsContact CE-NE2 3.3Å; I506-Q510 HydrophobicContact CG2-CG 4.45Å; I506-Q510 WeakPolarHBondContact O-CB 3.49Å; I506-Q510 VanDerWaalsContact O-CG 3.3Å; I506-Q510 WeakPolarHBondContact O-CG 3.49Å; I506-Q510 PolarHBondContact O-N 3.4Å; I506-Q510 VanDerWaalsContact O-N 3.15Å; L508-Q510 VanDerWaalsContact C-N 3.29Å; L508-Q510 PolarHBondContact O-N 2.79Å
511	K	69	Low	90.4	Very high	178 Å²	178	42.8 Å²	42.8	77%	0.774	20%	0.202	S	C	*	.			trans	-75.2	0	175.8	-169	178.7	-177.2	177.3	0	109.9	A507 L508	A507-K511 PolarHBondContact O-N 2.85Å; L508-K511 WeakPolarHBondContact O-CB 3.48Å; L508-K511 PolarHBondContact O-N 3.19Å

Retrieved 511 of 511 residues in 901.6 ms (Link to these results)

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