A0A3Q0KNB8_SCHMA Loading...

Multiple RNA-binding domain-containing protein 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 692 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	64.8	Low	239 Å²	239	110.8 Å²	110.8	100%	1.177	54%	0.544	S	S	*	.				0	138.3	0	-70.3	173.7	171.3	0	0	109.1
2	I	37	Very low	67.2	Low	167 Å²	167	101.6 Å²	101.6	86%	0.856	50%	0.498	S	S	*	.			trans	-92.1	104	168	-59.7	173.5	0	0	0	107.4	K4	I2-K4 PolarHBondContact O-N 3.15Å
3	Q	38.7	Very low	69.1	Low	158 Å²	158	98.8 Å²	98.8	74%	0.738	48%	0.482	S	S	*	.			trans	-64.4	119.5	170.6	-76.1	179.9	-20.4	0	0	108.8	H5	Q3-H5 VanDerWaalsContact C-N 3.34Å; Q3-H5 PolarHBondContact O-N 3.31Å
4	K	47.2	Very low	70.6	Confident	197 Å²	197	94.4 Å²	94.4	86%	0.857	48%	0.475	S	S	*	.			trans	-66.5	94.2	171.9	-74.7	177.3	178.4	170.7	0	108.2	I2 V6	I2-K4 PolarHBondContact O-N 3.15Å; K4-V6 PolarHBondContact O-N 3.18Å
5	H	54.5	Low	71.9	Confident	152 Å²	152	88.7 Å²	88.7	70%	0.704	45%	0.445	S	S	*	.			trans	-57.4	98.7	172.7	-88.8	-73.5	0	0	0	110.2	Q3 A7	Q3-H5 VanDerWaalsContact C-N 3.34Å; Q3-H5 PolarHBondContact O-N 3.31Å; H5-A7 PolarHBondContact O-N 3.5Å; H5-A7 VanDerWaalsContact O-N 3.09Å
6	V	65.3	Low	72.8	Confident	116 Å²	116	83.8 Å²	83.8	70%	0.703	42%	0.422	S	S	*	.			trans	-57.3	114	169.9	-178.5	0	0	0	0	107	K4	K4-V6 PolarHBondContact O-N 3.18Å
7	A	72.1	Confident	73.5	Confident	28 Å²	28	90.5 Å²	90.5	23%	0.231	44%	0.441	C	S	.	.			trans	-81.5	125.4	174.2	0	0	0	0	0	108	H5 V9 K34 F47	H5-A7 PolarHBondContact O-N 3.5Å; H5-A7 VanDerWaalsContact O-N 3.09Å; A7-V9 WeakPolarHBondContact O-CG2 3.5Å; A7-K34 HydrophobicContact CB-CD 4.24Å; A7-F47 HydrophobicContact CB-CB 4.29Å; A7-F47 HydrophobicContact CB-CD1 3.87Å
8	Y	88.1	Confident	74.2	Confident	79 Å²	79	94.3 Å²	94.3	31%	0.31	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.9	175	-65.3	-84.2	0	0	0	109.5	F47 F48 K50 E51 L54	Y8-F47 CarbonylContact O-C 3.57Å; Y8-F47 WeakPolarHBondContact O-CA 3.4Å; Y8-F48 PolarHBondContact N-O 3.5Å; Y8-F48 PolarHBondContact O-N 3.13Å; Y8-K50 VanDerWaalsContact CD2-C 3.5Å; Y8-E51 HydrophobicContact CD1-CB 3.96Å; Y8-E51 HydrophobicContact CD1-CG 3.78Å; Y8-E51 HydrophobicContact CD2-CB 4.48Å; Y8-E51 HydrophobicContact CE1-CB 3.5Å; Y8-E51 HydrophobicContact CE1-CG 3.38Å; Y8-E51 WeakPolarHBondContact CE1-OE2 3.47Å; Y8-E51 HydrophobicContact CE2-CB 4.07Å; Y8-E51 HydrophobicContact CG-CB 4.4Å; Y8-E51 PolarHBondContact OH-OE2 3.37Å; Y8-L54 HydrophobicContact CD1-CD2 4.35Å
9	V	91.1	Very high	74.7	Confident	24 Å²	24	90.4 Å²	90.4	15%	0.145	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.3	-167.9	-163.3	0	0	0	0	112.9	A7 L45 V46 F47 H74	A7-V9 WeakPolarHBondContact O-CG2 3.5Å; V9-L45 HydrophobicContact CG1-CB 3.82Å; V9-L45 HydrophobicContact CG1-CD1 4.44Å; V9-L45 HydrophobicContact CG1-CD2 4.06Å; V9-L45 HydrophobicContact CG1-CG 4.32Å; V9-V46 WeakPolarHBondContact CA-O 3.49Å; V9-F47 HydrophobicContact CB-CD1 4.47Å; V9-F47 HydrophobicContact CG1-CD1 4.2Å; V9-F47 HydrophobicContact CG1-CE1 4.1Å; V9-F47 HydrophobicContact CG1-CZ 4.48Å; V9-F47 HydrophobicContact CG2-CD1 3.56Å; V9-F47 HydrophobicContact CG2-CE1 3.66Å; V9-H74 HydrophobicContact CB-CB 3.97Å; V9-H74 HydrophobicContact CG1-CB 3.9Å; V9-H74 WeakPolarHBondContact O-CB 3.49Å; V9-H74 PolarHBondContact O-N 3.25Å
10	A	93.1	Very high	75.4	Confident	0 Å²	0	93.3 Å²	93.3	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.7	165.4	0	0	0	0	0	111	L45 V46 F48 L54 I71 E72	A10-L45 WeakPolarHBondContact O-CA 3.43Å; A10-V46 HydrophobicContact CB-CB 4.45Å; A10-V46 PolarHBondContact N-O 3.1Å; A10-V46 PolarHBondContact O-N 3.49Å; A10-F48 HydrophobicContact CB-CE2 3.85Å; A10-L54 HydrophobicContact CB-CD1 3.67Å; A10-I71 HydrophobicContact CB-CG2 3.78Å; A10-E72 CarbonylContact C-O 3.53Å; A10-E72 WeakPolarHBondContact CA-O 3.49Å
11	K	92.6	Very high	76	Confident	59 Å²	59	92.8 Å²	92.8	26%	0.257	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.3	168.4	-172.6	172.2	-175.4	174.1	0	109.5	K13 G44 L45 E72 H74	K11-K13 HydrophobicContact CG-CG 4.44Å; K11-G44 WeakPolarHBondContact CA-O 3.32Å; K11-L45 HydrophobicContact CB-CD2 3.89Å; K11-L45 HydrophobicContact CG-CD2 4.04Å; K11-E72 PolarHBondContact N-O 3.24Å; K11-E72 PolarHBondContact O-N 2.88Å; K11-H74 HydrophobicContact CB-CB 4.22Å
12	I	93.3	Very high	78.8	Confident	0 Å²	0	89.3 Å²	89.3	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.2	174.3	-172.6	168.7	0	0	0	109.7	F15 F27 F28 F36 M43 G44 V46 V69 K70 I71	I12-F15 HydrophobicContact CG1-CD1 4.43Å; I12-F15 HydrophobicContact CG2-CD1 4.38Å; I12-F15 HydrophobicContact CG2-CE1 3.99Å; I12-F27 HydrophobicContact CD1-CD1 4.49Å; I12-F27 HydrophobicContact CD1-CE1 4.3Å; I12-F28 HydrophobicContact CD1-CE2 4.04Å; I12-F28 HydrophobicContact CD1-CZ 4.13Å; I12-F36 HydrophobicContact CG2-CE2 3.66Å; I12-F36 HydrophobicContact CG2-CZ 4.27Å; I12-M43 CarbonylContact O-C 3.55Å; I12-M43 VanDerWaalsContact O-CA 3.26Å; I12-M43 WeakPolarHBondContact O-CA 3.5Å; I12-G44 PolarHBondContact N-O 3.37Å; I12-G44 PolarHBondContact O-N 2.69Å; I12-V46 HydrophobicContact CB-CG2 4.13Å; I12-V46 HydrophobicContact CG2-CG2 3.6Å; I12-V69 HydrophobicContact CD1-CB 3.98Å; I12-V69 HydrophobicContact CD1-CG1 3.99Å; I12-V69 HydrophobicContact CD1-CG2 4.17Å; I12-V69 HydrophobicContact CG1-CB 3.91Å; I12-V69 HydrophobicContact CG1-CG1 3.92Å; I12-K70 WeakPolarHBondContact CA-O 3.49Å; I12-I71 HydrophobicContact CD1-CG1 4.45Å; I12-I71 HydrophobicContact CG1-CG1 4.3Å
13	K	92.3	Very high	81.3	Confident	66 Å²	66	84 Å²	84	29%	0.287	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.5	-177.3	-57.3	178.2	176.7	168.5	0	110.7	K11 G42 M43 V69 K70 E72	K11-K13 HydrophobicContact CG-CG 4.44Å; K13-G42 CarbonylContact C-O 3.58Å; K13-M43 HydrophobicContact CB-CG 4.35Å; K13-M43 HydrophobicContact CG-CG 4.02Å; K13-M43 HydrophobicContact CG-SD 4.24Å; K13-V69 CarbonylContact O-C 3.52Å; K13-V69 VanDerWaalsContact O-CA 3.29Å; K13-V69 WeakPolarHBondContact O-CA 3.31Å; K13-K70 PolarHBondContact N-O 3.06Å; K13-K70 PolarHBondContact O-N 2.8Å; K13-E72 WeakPolarHBondContact CE-OE2 3.28Å; K13-E72 IonicContact NZ-OE1 2.75Å; K13-E72 PolarHBondContact NZ-OE1 2.86Å; K13-E72 IonicContact NZ-OE2 3.7Å; K13-E72 PolarHBondContact NZ-OE2 3.33Å
14	G	88.8	Confident	83.9	Confident	37 Å²	37	76.4 Å²	76.4	38%	0.381	37%	0.366	S	S	.	.			trans	107.7	0.1	166.9	0	0	0	0	0	116.5	G42 R67	G14-G42 PolarHBondContact N-O 2.98Å; G14-R67 VanDerWaalsContact O-CB 3.27Å; G14-R67 WeakPolarHBondContact O-CB 3.33Å
15	F	90.5	Very high	86	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.035	35%	0.345	C	S	.	.			trans	-77.5	155.5	179.2	60.9	-90.8	0	0	0	112.5	I12 V19 I24 F36 G42 M43 V64 V69	I12-F15 HydrophobicContact CG1-CD1 4.43Å; I12-F15 HydrophobicContact CG2-CD1 4.38Å; I12-F15 HydrophobicContact CG2-CE1 3.99Å; F15-V19 HydrophobicContact CB-CG2 4.24Å; F15-V19 HydrophobicContact CD2-CB 3.98Å; F15-V19 HydrophobicContact CD2-CG1 4.29Å; F15-V19 HydrophobicContact CD2-CG2 4.44Å; F15-I24 HydrophobicContact CE2-CD1 4.5Å; F15-F36 HydrophobicContact CE1-CZ 4.14Å; F15-F36 AromaticContact CZ-CZ 3.8Å; F15-F36 HydrophobicContact CZ-CZ 3.8Å; F15-G42 WeakPolarHBondContact CD1-O 3.4Å; F15-G42 WeakPolarHBondContact CE1-O 3.41Å; F15-G42 PolarHBondContact N-O 3.47Å; F15-G42 WeakPolarHBondContact O-CA 3.36Å; F15-M43 VanDerWaalsContact CZ-C 3.45Å; F15-M43 VanDerWaalsContact CZ-O 3.22Å; F15-M43 WeakPolarHBondContact CZ-O 3.47Å; F15-V64 HydrophobicContact CB-CB 4.43Å; F15-V64 HydrophobicContact CB-CG1 4.34Å; F15-V69 HydrophobicContact CB-CG1 3.74Å; F15-V69 HydrophobicContact CD1-CG1 4.34Å
16	S	86.7	Confident	87.8	Confident	11 Å²	11	71.2 Å²	71.2	8%	0.077	34%	0.341	C	S	.	.			trans	-68.7	151.7	177.2	-168	0	0	0	0	112.1	E18 V19	S16-E18 PolarHBondContact O-N 3.02Å; S16-V19 WeakPolarHBondContact O-CB 3.22Å; S16-V19 WeakPolarHBondContact O-CG2 3.48Å; S16-V19 PolarHBondContact O-N 3.19Å; S16-V19 VanDerWaalsContact O-N 3.14Å
17	R	84.5	Confident	89.1	Confident	197 Å²	197	66.9 Å²	66.9	74%	0.743	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.7	-178.8	-64.8	-174.4	-177.6	-139.1	-2.5	113.3	N41	R17-N41 PolarHBondContact NH2-OD1 3.34Å; R17-N41 VanDerWaalsContact NH2-OD1 3.08Å
18	E	85.5	Confident	90.1	Very high	159 Å²	159	65.6 Å²	65.6	74%	0.743	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.2	177.9	-63.1	126.5	-138.4	0	0	114.5	S16 K20	S16-E18 PolarHBondContact O-N 3.02Å; E18-K20 PolarHBondContact O-N 3.15Å
19	V	84.9	Confident	90.2	Very high	20 Å²	20	69.1 Å²	69.1	12%	0.121	32%	0.319	C	S	.	.			trans	-64.5	124.3	-172.6	167.6	0	0	0	0	111.1	F15 S16 D23 I24 V64	F15-V19 HydrophobicContact CB-CG2 4.24Å; F15-V19 HydrophobicContact CD2-CB 3.98Å; F15-V19 HydrophobicContact CD2-CG1 4.29Å; F15-V19 HydrophobicContact CD2-CG2 4.44Å; S16-V19 WeakPolarHBondContact O-CB 3.22Å; S16-V19 WeakPolarHBondContact O-CG2 3.48Å; S16-V19 PolarHBondContact O-N 3.19Å; S16-V19 VanDerWaalsContact O-N 3.14Å; V19-D23 HydrophobicContact CG1-CB 4.41Å; V19-I24 HydrophobicContact CG1-CD1 3.77Å; V19-I24 HydrophobicContact CG1-CG1 3.68Å; V19-V64 HydrophobicContact CB-CG1 4.48Å; V19-V64 HydrophobicContact CG1-CG1 3.54Å; V19-V64 HydrophobicContact CG2-CG1 4.09Å
20	K	87.4	Confident	90.3	Very high	148 Å²	148	73.9 Å²	73.9	64%	0.643	35%	0.35	S	S	*	.			trans	-88.4	153.5	-178.5	-61.2	176.2	-175.8	174	0	110.2	E18 K22 D23 I24	E18-K20 PolarHBondContact O-N 3.15Å; K20-K22 PolarHBondContact O-N 3.28Å; K20-D23 PolarHBondContact O-N 3.37Å; K20-I24 PolarHBondContact O-N 3.22Å
21	I	89.9	Confident	90.2	Very high	84 Å²	84	74.7 Å²	74.7	43%	0.431	35%	0.354	S	S	.	.	H	α-helix	trans	-51.2	-31.6	175.8	-67.1	161.9	0	0	0	111.9	D23 I24 K25 F36	I21-D23 VanDerWaalsContact C-N 3.32Å; I21-D23 PolarHBondContact O-N 2.98Å; I21-I24 PolarHBondContact O-N 3.38Å; I21-K25 HydrophobicContact CG2-CD 3.97Å; I21-K25 HydrophobicContact CG2-CG 4.34Å; I21-K25 WeakPolarHBondContact O-CB 3.33Å; I21-K25 WeakPolarHBondContact O-CG 3.47Å; I21-K25 PolarHBondContact O-N 3.1Å; I21-F36 HydrophobicContact CG1-CD1 4.23Å
22	K	91.2	Very high	90	Very high	166 Å²	166	81.8 Å²	81.8	72%	0.722	38%	0.379	S	S	*	.	H	α-helix	trans	-58.8	-39.1	175.7	-65.1	-171.2	179.6	-175.7	0	112.7	K20 K25 K26	K20-K22 PolarHBondContact O-N 3.28Å; K22-K25 PolarHBondContact O-N 3.03Å; K22-K26 WeakPolarHBondContact O-CG 3.43Å; K22-K26 PolarHBondContact O-N 3.16Å
23	D	90.8	Very high	89.9	Confident	54 Å²	54	82.7 Å²	82.7	29%	0.289	38%	0.384	S	S	.	.	H	α-helix	trans	-81.6	-29.8	-174.4	-53.4	-57.9	0	0	0	111.9	V19 K20 I21 K26 F27	V19-D23 HydrophobicContact CG1-CB 4.41Å; K20-D23 PolarHBondContact O-N 3.37Å; I21-D23 VanDerWaalsContact C-N 3.32Å; I21-D23 PolarHBondContact O-N 2.98Å; D23-K26 WeakPolarHBondContact O-CB 3.36Å; D23-K26 PolarHBondContact O-N 3.21Å; D23-K26 IonicContact OD1-NZ 3.31Å; D23-K26 PolarHBondContact OD1-NZ 3.38Å; D23-K26 VanDerWaalsContact OD1-NZ 3.13Å; D23-F27 WeakPolarHBondContact O-CB 3.48Å; D23-F27 PolarHBondContact O-N 3.5Å
24	I	91.6	Very high	89.7	Confident	0 Å²	0	83 Å²	83	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-70.7	-40.2	169.3	-65.5	173.8	0	0	0	110.3	F15 V19 K20 I21 K26 F27 F28 I33 F36 V64	F15-I24 HydrophobicContact CE2-CD1 4.5Å; V19-I24 HydrophobicContact CG1-CD1 3.77Å; V19-I24 HydrophobicContact CG1-CG1 3.68Å; K20-I24 PolarHBondContact O-N 3.22Å; I21-I24 PolarHBondContact O-N 3.38Å; I24-K26 PolarHBondContact O-N 3.13Å; I24-F27 PolarHBondContact O-N 3.18Å; I24-F28 HydrophobicContact CG2-CD2 3.86Å; I24-F28 HydrophobicContact CG2-CE2 3.89Å; I24-F28 WeakPolarHBondContact O-CD2 3.2Å; I24-F28 PolarHBondContact O-N 3.34Å; I24-I33 HydrophobicContact CG2-CD1 4.07Å; I24-F36 HydrophobicContact CD1-CD1 3.88Å; I24-F36 HydrophobicContact CD1-CE1 3.22Å; I24-F36 HydrophobicContact CD1-CE2 4.11Å; I24-F36 HydrophobicContact CD1-CZ 3.37Å; I24-F36 HydrophobicContact CG2-CD1 4.49Å; I24-F36 HydrophobicContact CG2-CD2 4.27Å; I24-F36 HydrophobicContact CG2-CG 4.26Å; I24-V64 HydrophobicContact CG1-CG1 4.08Å
25	K	91.8	Very high	89.7	Confident	98 Å²	98	85.6 Å²	85.6	43%	0.426	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-37.1	170.5	-75.5	-180	179	-178.1	0	112.5	I21 K22 K29 I33	I21-K25 HydrophobicContact CG2-CD 3.97Å; I21-K25 HydrophobicContact CG2-CG 4.34Å; I21-K25 WeakPolarHBondContact O-CB 3.33Å; I21-K25 WeakPolarHBondContact O-CG 3.47Å; I21-K25 PolarHBondContact O-N 3.1Å; K22-K25 PolarHBondContact O-N 3.03Å; K25-K29 PolarHBondContact O-N 2.95Å; K25-I33 HydrophobicContact CG-CD1 3.95Å
26	K	92	Very high	89.7	Confident	141 Å²	141	85.6 Å²	85.6	61%	0.613	39%	0.391	S	S	*	.	H	α-helix	trans	-61.7	-50	168.8	-74.9	173.5	-175.4	163.3	0	111.2	K22 D23 I24 F28 K29	K22-K26 WeakPolarHBondContact O-CG 3.43Å; K22-K26 PolarHBondContact O-N 3.16Å; D23-K26 WeakPolarHBondContact O-CB 3.36Å; D23-K26 PolarHBondContact O-N 3.21Å; D23-K26 IonicContact OD1-NZ 3.31Å; D23-K26 PolarHBondContact OD1-NZ 3.38Å; D23-K26 VanDerWaalsContact OD1-NZ 3.13Å; I24-K26 PolarHBondContact O-N 3.13Å; K26-F28 VanDerWaalsContact C-N 3.32Å; K26-F28 PolarHBondContact O-N 3.02Å; K26-K29 WeakPolarHBondContact O-CB 3.49Å; K26-K29 PolarHBondContact O-N 3.18Å
27	F	92.9	Very high	89.8	Confident	26 Å²	26	89.3 Å²	89.3	11%	0.114	41%	0.408	C	S	.	.	H	α-helix	trans	-60	-37.1	-176.3	173.4	-98.3	0	0	0	113.1	I12 D23 I24 K60 V64 V69 I71	I12-F27 HydrophobicContact CD1-CD1 4.49Å; I12-F27 HydrophobicContact CD1-CE1 4.3Å; D23-F27 WeakPolarHBondContact O-CB 3.48Å; D23-F27 PolarHBondContact O-N 3.5Å; I24-F27 PolarHBondContact O-N 3.18Å; F27-K60 HydrophobicContact CZ-CG 4.4Å; F27-K60 VanDerWaalsContact O-CE 3.3Å; F27-K60 WeakPolarHBondContact O-CE 3.36Å; F27-K60 PolarHBondContact O-NZ 2.93Å; F27-V64 HydrophobicContact CB-CG2 3.64Å; F27-V64 HydrophobicContact CD1-CG2 3.92Å; F27-V64 HydrophobicContact CD2-CG2 3.4Å; F27-V64 VanDerWaalsContact CD2-CG2 3.4Å; F27-V64 HydrophobicContact CE1-CG2 4.47Å; F27-V64 HydrophobicContact CE2-CG2 4.02Å; F27-V64 HydrophobicContact CG-CG2 3.35Å; F27-V69 HydrophobicContact CE1-CG2 4.19Å; F27-V69 HydrophobicContact CE2-CG2 4.03Å; F27-V69 HydrophobicContact CZ-CG2 3.76Å; F27-I71 HydrophobicContact CE1-CD1 3.83Å; F27-I71 HydrophobicContact CZ-CD1 4.19Å
28	F	93.1	Very high	89.9	Confident	0 Å²	0	84 Å²	84	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-80.1	-21.8	178.4	-79	-72.2	0	0	0	115	I12 I24 K26 I31 I33 V46 F48 A57 K60 I71	I12-F28 HydrophobicContact CD1-CE2 4.04Å; I12-F28 HydrophobicContact CD1-CZ 4.13Å; I24-F28 HydrophobicContact CG2-CD2 3.86Å; I24-F28 HydrophobicContact CG2-CE2 3.89Å; I24-F28 WeakPolarHBondContact O-CD2 3.2Å; I24-F28 PolarHBondContact O-N 3.34Å; K26-F28 VanDerWaalsContact C-N 3.32Å; K26-F28 PolarHBondContact O-N 3.02Å; F28-I31 VanDerWaalsContact O-CB 3.28Å; F28-I31 WeakPolarHBondContact O-CB 3.38Å; F28-I31 WeakPolarHBondContact O-CG1 3.47Å; F28-I31 PolarHBondContact O-N 3.31Å; F28-I33 HydrophobicContact CB-CD1 3.92Å; F28-I33 HydrophobicContact CB-CG1 3.88Å; F28-I33 HydrophobicContact CD2-CD1 3.58Å; F28-I33 HydrophobicContact CD2-CG1 4.18Å; F28-I33 HydrophobicContact CG-CD1 4.05Å; F28-I33 HydrophobicContact CG-CG1 4.19Å; F28-V46 HydrophobicContact CD2-CG1 4.16Å; F28-V46 HydrophobicContact CE2-CB 4.4Å; F28-V46 HydrophobicContact CE2-CG1 3.9Å; F28-V46 HydrophobicContact CE2-CG2 3.71Å; F28-V46 HydrophobicContact CZ-CG1 4.28Å; F28-V46 HydrophobicContact CZ-CG2 3.97Å; F28-F48 HydrophobicContact CD1-CE1 4.26Å; F28-F48 AromaticContact CD1-CZ 3.99Å; F28-F48 HydrophobicContact CD1-CZ 3.99Å; F28-F48 AromaticContact CE1-CZ 3.94Å; F28-F48 HydrophobicContact CE1-CZ 3.94Å; F28-F48 HydrophobicContact CG-CZ 4.5Å; F28-F48 HydrophobicContact CZ-CZ 4.38Å; F28-A57 HydrophobicContact CD1-CB 4.05Å; F28-A57 HydrophobicContact CE1-CB 3.68Å; F28-K60 PolarHBondContact O-NZ 3.43Å; F28-I71 HydrophobicContact CE1-CD1 3.84Å; F28-I71 HydrophobicContact CZ-CD1 3.88Å
29	K	90.8	Very high	89.9	Confident	154 Å²	154	79.4 Å²	79.4	67%	0.67	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	133.8	176.3	-84.2	-170.5	172.4	-168.1	0	111.8	K25 K26 K60	K25-K29 PolarHBondContact O-N 2.95Å; K26-K29 WeakPolarHBondContact O-CB 3.49Å; K26-K29 PolarHBondContact O-N 3.18Å; K29-K60 PolarHBondContact O-NZ 2.99Å
30	P	92.1	Very high	89.7	Confident	124 Å²	124	87.1 Å²	87.1	81%	0.805	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	cis	-78.7	-6.1	10.3	31.6	-36.9	0	0	0	115.9	R32	P30-R32 PolarHBondContact O-N 3.44Å
31	I	92	Very high	89.5	Confident	17 Å²	17	85.6 Å²	85.6	9%	0.087	41%	0.408	C	S	.	.	S	Bend	trans	-67.1	131	-176.4	-49.2	167.4	0	0	0	110.5	F28 F48 D53 K56 A57	F28-I31 VanDerWaalsContact O-CB 3.28Å; F28-I31 WeakPolarHBondContact O-CB 3.38Å; F28-I31 WeakPolarHBondContact O-CG1 3.47Å; F28-I31 PolarHBondContact O-N 3.31Å; I31-F48 HydrophobicContact CG2-CD1 3.79Å; I31-F48 HydrophobicContact CG2-CE1 3.67Å; I31-D53 HydrophobicContact CG2-CB 3.62Å; I31-K56 HydrophobicContact CD1-CB 3.67Å; I31-K56 HydrophobicContact CG1-CB 4.26Å; I31-A57 HydrophobicContact CD1-CB 4.2Å
32	R	88.9	Confident	89.2	Confident	207 Å²	207	82 Å²	82	78%	0.781	39%	0.392	S	S	*	.			trans	-92	105.5	179.7	-64.1	-177.9	80.5	170.5	3.8	111	P30	P30-R32 PolarHBondContact O-N 3.44Å
33	I	91	Very high	89.2	Confident	20 Å²	20	76.8 Å²	76.8	10%	0.103	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.2	170.9	-49.3	176.9	0	0	0	110	I24 K25 F28 D35 V46 F47 F48	I24-I33 HydrophobicContact CG2-CD1 4.07Å; K25-I33 HydrophobicContact CG-CD1 3.95Å; F28-I33 HydrophobicContact CB-CD1 3.92Å; F28-I33 HydrophobicContact CB-CG1 3.88Å; F28-I33 HydrophobicContact CD2-CD1 3.58Å; F28-I33 HydrophobicContact CD2-CG1 4.18Å; F28-I33 HydrophobicContact CG-CD1 4.05Å; F28-I33 HydrophobicContact CG-CG1 4.19Å; I33-D35 WeakPolarHBondContact CG2-O 3.31Å; I33-V46 HydrophobicContact CB-CG1 4.44Å; I33-V46 HydrophobicContact CD1-CG1 3.98Å; I33-V46 HydrophobicContact CG1-CG1 3.99Å; I33-V46 HydrophobicContact CG2-CG1 3.67Å; I33-F47 WeakPolarHBondContact CG2-O 3.38Å; I33-F48 HydrophobicContact CG1-CE1 4.37Å
34	K	87.9	Confident	89.2	Confident	73 Å²	73	74.2 Å²	74.2	32%	0.317	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-59.1	168	179.2	170.2	-176.8	176.6	0	110.7	A7 F47 W49	A7-K34 HydrophobicContact CB-CD 4.24Å; K34-F47 HydrophobicContact CB-CB 4.21Å; K34-F47 WeakPolarHBondContact CB-O 3.29Å; K34-F47 PolarHBondContact N-O 3.14Å; K34-W49 HydrophobicContact CB-CD2 4.04Å; K34-W49 HydrophobicContact CB-CG 4.16Å; K34-W49 HydrophobicContact CB-CZ2 4.18Å; K34-W49 HydrophobicContact CD-CD2 3.98Å; K34-W49 HydrophobicContact CD-CE3 3.94Å; K34-W49 HydrophobicContact CD-CH2 4.14Å; K34-W49 HydrophobicContact CD-CZ2 4.16Å; K34-W49 HydrophobicContact CD-CZ3 4.03Å; K34-W49 HydrophobicContact CG-CD2 4.06Å; K34-W49 HydrophobicContact CG-CE3 4.43Å; K34-W49 HydrophobicContact CG-CH2 4.1Å; K34-W49 HydrophobicContact CG-CZ2 3.68Å; K34-W49 HydrophobicContact CG-CZ3 4.45Å
35	D	88.8	Confident	89.3	Confident	90 Å²	90	75 Å²	75	48%	0.481	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	167.4	174.6	-165.3	18.9	0	0	0	111.6	I33 F47	I33-D35 WeakPolarHBondContact CG2-O 3.31Å; D35-F47 HydrophobicContact CB-CD2 4.25Å; D35-F47 WeakPolarHBondContact O-CD2 3.5Å; D35-F47 PolarHBondContact O-N 3.42Å
36	F	90.3	Very high	89.3	Confident	9 Å²	9	70.3 Å²	70.3	4%	0.039	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	116.1	176.5	175	-106.8	0	0	0	112.3	I12 F15 I21 I24 V38 L45 V46	I12-F36 HydrophobicContact CG2-CE2 3.66Å; I12-F36 HydrophobicContact CG2-CZ 4.27Å; F15-F36 HydrophobicContact CE1-CZ 4.14Å; F15-F36 AromaticContact CZ-CZ 3.8Å; F15-F36 HydrophobicContact CZ-CZ 3.8Å; I21-F36 HydrophobicContact CG1-CD1 4.23Å; I24-F36 HydrophobicContact CD1-CD1 3.88Å; I24-F36 HydrophobicContact CD1-CE1 3.22Å; I24-F36 HydrophobicContact CD1-CE2 4.11Å; I24-F36 HydrophobicContact CD1-CZ 3.37Å; I24-F36 HydrophobicContact CG2-CD1 4.49Å; I24-F36 HydrophobicContact CG2-CD2 4.27Å; I24-F36 HydrophobicContact CG2-CG 4.26Å; F36-V38 HydrophobicContact CD1-CG2 4.26Å; F36-V38 HydrophobicContact CE1-CB 4.5Å; F36-V38 HydrophobicContact CE1-CG2 3.52Å; F36-V38 HydrophobicContact CZ-CG2 4.24Å; F36-L45 WeakPolarHBondContact CA-O 3.28Å; F36-L45 VanDerWaalsContact CD2-O 3.24Å; F36-L45 WeakPolarHBondContact CD2-O 3.23Å; F36-V46 HydrophobicContact CD2-CB 4.33Å; F36-V46 HydrophobicContact CD2-CG2 3.72Å; F36-V46 HydrophobicContact CE2-CG2 3.94Å
37	M	87.9	Confident	89.4	Confident	89 Å²	89	65.9 Å²	65.9	44%	0.438	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.1	176.2	-175.6	173.9	65	0	0	110.9	L39 G44 L45 F47	M37-L39 HydrophobicContact CE-CD2 4.14Å; M37-G44 CarbonylContact O-C 3.59Å; M37-G44 WeakPolarHBondContact O-CA 3.3Å; M37-L45 HydrophobicContact CE-CD1 3.84Å; M37-L45 HydrophobicContact CE-CG 4.45Å; M37-L45 PolarHBondContact N-O 3.24Å; M37-L45 PolarHBondContact O-N 3.17Å; M37-F47 HydrophobicContact CB-CE2 4.07Å
38	V	87.5	Confident	89.3	Confident	85 Å²	85	64.7 Å²	64.7	52%	0.515	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.9	169.4	177.7	0	0	0	0	109.5	F36	F36-V38 HydrophobicContact CD1-CG2 4.26Å; F36-V38 HydrophobicContact CE1-CB 4.5Å; F36-V38 HydrophobicContact CE1-CG2 3.52Å; F36-V38 HydrophobicContact CZ-CG2 4.24Å
39	L	84.6	Confident	89.2	Confident	62 Å²	62	72.1 Å²	72.1	33%	0.325	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	166.9	166.8	-67.1	171	0	0	0	109.7	M37 M43 L45	M37-L39 HydrophobicContact CE-CD2 4.14Å; L39-M43 CarbonylContact C-O 3.6Å; L39-M43 WeakPolarHBondContact CA-O 3.25Å; L39-M43 HydrophobicContact CB-CB 4.12Å; L39-M43 WeakPolarHBondContact CB-O 3.45Å; L39-M43 PolarHBondContact N-O 3.07Å; L39-M43 VanDerWaalsContact O-O 3.06Å; L39-L45 HydrophobicContact CD1-CD2 4.46Å; L39-L45 HydrophobicContact CD1-CG 4.01Å
40	K	81.8	Confident	89.1	Confident	183 Å²	183	70.9 Å²	70.9	80%	0.796	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	155.1	173.4	-64	-178.9	177.5	178.3	0	110.7
41	N	81.7	Confident	89	Confident	115 Å²	115	69.2 Å²	69.2	62%	0.615	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	42	173.3	-57	-13.2	0	0	0	116.1	R17 M43	R17-N41 PolarHBondContact NH2-OD1 3.34Å; R17-N41 VanDerWaalsContact NH2-OD1 3.08Å; N41-M43 VanDerWaalsContact C-N 3.27Å; N41-M43 PolarHBondContact O-N 3.19Å
42	G	84.7	Confident	89	Confident	9 Å²	9	74.3 Å²	74.3	9%	0.093	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	28.1	172.7	0	0	0	0	0	113.5	K13 G14 F15	K13-G42 CarbonylContact C-O 3.58Å; G14-G42 PolarHBondContact N-O 2.98Å; F15-G42 WeakPolarHBondContact CD1-O 3.4Å; F15-G42 WeakPolarHBondContact CE1-O 3.41Å; F15-G42 PolarHBondContact N-O 3.47Å; F15-G42 WeakPolarHBondContact O-CA 3.36Å
43	M	91	Very high	89.2	Confident	56 Å²	56	65.8 Å²	65.8	28%	0.276	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	159.4	174.2	-64.2	-170.1	-77.2	0	0	110.1	I12 K13 F15 L39 N41	I12-M43 CarbonylContact O-C 3.55Å; I12-M43 VanDerWaalsContact O-CA 3.26Å; I12-M43 WeakPolarHBondContact O-CA 3.5Å; K13-M43 HydrophobicContact CB-CG 4.35Å; K13-M43 HydrophobicContact CG-CG 4.02Å; K13-M43 HydrophobicContact CG-SD 4.24Å; F15-M43 VanDerWaalsContact CZ-C 3.45Å; F15-M43 VanDerWaalsContact CZ-O 3.22Å; F15-M43 WeakPolarHBondContact CZ-O 3.47Å; L39-M43 CarbonylContact C-O 3.6Å; L39-M43 WeakPolarHBondContact CA-O 3.25Å; L39-M43 HydrophobicContact CB-CB 4.12Å; L39-M43 WeakPolarHBondContact CB-O 3.45Å; L39-M43 PolarHBondContact N-O 3.07Å; L39-M43 VanDerWaalsContact O-O 3.06Å; N41-M43 VanDerWaalsContact C-N 3.27Å; N41-M43 PolarHBondContact O-N 3.19Å
44	G	91.6	Very high	89.2	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	168	172.6	0	0	0	0	0	112.3	K11 I12 M37	K11-G44 WeakPolarHBondContact CA-O 3.32Å; I12-G44 PolarHBondContact N-O 3.37Å; I12-G44 PolarHBondContact O-N 2.69Å; M37-G44 CarbonylContact O-C 3.59Å; M37-G44 WeakPolarHBondContact O-CA 3.3Å
45	L	92.9	Very high	89.5	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.084	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.2	177	-64.5	-177.4	0	0	0	109.8	V9 A10 K11 F36 M37 L39 F47 H74	V9-L45 HydrophobicContact CG1-CB 3.82Å; V9-L45 HydrophobicContact CG1-CD1 4.44Å; V9-L45 HydrophobicContact CG1-CD2 4.06Å; V9-L45 HydrophobicContact CG1-CG 4.32Å; A10-L45 WeakPolarHBondContact O-CA 3.43Å; K11-L45 HydrophobicContact CB-CD2 3.89Å; K11-L45 HydrophobicContact CG-CD2 4.04Å; F36-L45 WeakPolarHBondContact CA-O 3.28Å; F36-L45 VanDerWaalsContact CD2-O 3.24Å; F36-L45 WeakPolarHBondContact CD2-O 3.23Å; M37-L45 HydrophobicContact CE-CD1 3.84Å; M37-L45 HydrophobicContact CE-CG 4.45Å; M37-L45 PolarHBondContact N-O 3.24Å; M37-L45 PolarHBondContact O-N 3.17Å; L39-L45 HydrophobicContact CD1-CD2 4.46Å; L39-L45 HydrophobicContact CD1-CG 4.01Å; L45-F47 HydrophobicContact CB-CE2 4.04Å; L45-F47 HydrophobicContact CB-CZ 4.17Å; L45-H74 HydrophobicContact CD2-CB 3.98Å
46	V	92.7	Very high	89.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.7	179.7	-166.4	0	0	0	0	107.8	V9 A10 I12 F28 I33 F36 F48	V9-V46 WeakPolarHBondContact CA-O 3.49Å; A10-V46 HydrophobicContact CB-CB 4.45Å; A10-V46 PolarHBondContact N-O 3.1Å; A10-V46 PolarHBondContact O-N 3.49Å; I12-V46 HydrophobicContact CB-CG2 4.13Å; I12-V46 HydrophobicContact CG2-CG2 3.6Å; F28-V46 HydrophobicContact CD2-CG1 4.16Å; F28-V46 HydrophobicContact CE2-CB 4.4Å; F28-V46 HydrophobicContact CE2-CG1 3.9Å; F28-V46 HydrophobicContact CE2-CG2 3.71Å; F28-V46 HydrophobicContact CZ-CG1 4.28Å; F28-V46 HydrophobicContact CZ-CG2 3.97Å; I33-V46 HydrophobicContact CB-CG1 4.44Å; I33-V46 HydrophobicContact CD1-CG1 3.98Å; I33-V46 HydrophobicContact CG1-CG1 3.99Å; I33-V46 HydrophobicContact CG2-CG1 3.67Å; F36-V46 HydrophobicContact CD2-CB 4.33Å; F36-V46 HydrophobicContact CD2-CG2 3.72Å; F36-V46 HydrophobicContact CE2-CG2 3.94Å; V46-F48 HydrophobicContact CB-CE2 3.88Å; V46-F48 HydrophobicContact CB-CZ 4.03Å; V46-F48 HydrophobicContact CG1-CE1 4.01Å; V46-F48 HydrophobicContact CG1-CE2 3.67Å; V46-F48 HydrophobicContact CG1-CZ 3.37Å
47	F	92.5	Very high	89.8	Confident	49 Å²	49	68 Å²	68	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.4	-179.3	-61.1	-91	0	0	0	109.9	A7 Y8 V9 I33 K34 D35 M37 L45	A7-F47 HydrophobicContact CB-CB 4.29Å; A7-F47 HydrophobicContact CB-CD1 3.87Å; Y8-F47 CarbonylContact O-C 3.57Å; Y8-F47 WeakPolarHBondContact O-CA 3.4Å; V9-F47 HydrophobicContact CB-CD1 4.47Å; V9-F47 HydrophobicContact CG1-CD1 4.2Å; V9-F47 HydrophobicContact CG1-CE1 4.1Å; V9-F47 HydrophobicContact CG1-CZ 4.48Å; V9-F47 HydrophobicContact CG2-CD1 3.56Å; V9-F47 HydrophobicContact CG2-CE1 3.66Å; I33-F47 WeakPolarHBondContact CG2-O 3.38Å; K34-F47 HydrophobicContact CB-CB 4.21Å; K34-F47 WeakPolarHBondContact CB-O 3.29Å; K34-F47 PolarHBondContact N-O 3.14Å; D35-F47 HydrophobicContact CB-CD2 4.25Å; D35-F47 WeakPolarHBondContact O-CD2 3.5Å; D35-F47 PolarHBondContact O-N 3.42Å; M37-F47 HydrophobicContact CB-CE2 4.07Å; L45-F47 HydrophobicContact CB-CE2 4.04Å; L45-F47 HydrophobicContact CB-CZ 4.17Å
48	F	92.5	Very high	90	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	156.6	179.2	-62.5	-80.4	0	0	0	111.6	Y8 A10 F28 I31 I33 V46 D53 L54 A57	Y8-F48 PolarHBondContact N-O 3.5Å; Y8-F48 PolarHBondContact O-N 3.13Å; A10-F48 HydrophobicContact CB-CE2 3.85Å; F28-F48 HydrophobicContact CD1-CE1 4.26Å; F28-F48 AromaticContact CD1-CZ 3.99Å; F28-F48 HydrophobicContact CD1-CZ 3.99Å; F28-F48 AromaticContact CE1-CZ 3.94Å; F28-F48 HydrophobicContact CE1-CZ 3.94Å; F28-F48 HydrophobicContact CG-CZ 4.5Å; F28-F48 HydrophobicContact CZ-CZ 4.38Å; I31-F48 HydrophobicContact CG2-CD1 3.79Å; I31-F48 HydrophobicContact CG2-CE1 3.67Å; I33-F48 HydrophobicContact CG1-CE1 4.37Å; V46-F48 HydrophobicContact CB-CE2 3.88Å; V46-F48 HydrophobicContact CB-CZ 4.03Å; V46-F48 HydrophobicContact CG1-CE1 4.01Å; V46-F48 HydrophobicContact CG1-CE2 3.67Å; V46-F48 HydrophobicContact CG1-CZ 3.37Å; F48-D53 HydrophobicContact CB-CB 4.21Å; F48-D53 HydrophobicContact CD1-CB 4.06Å; F48-D53 HydrophobicContact CG-CB 4.38Å; F48-L54 HydrophobicContact CD2-CB 4.26Å; F48-L54 HydrophobicContact CD2-CD1 4.25Å; F48-L54 HydrophobicContact CE2-CD1 4.35Å; F48-A57 HydrophobicContact CE1-CB 3.95Å; F48-A57 HydrophobicContact CE2-CB 3.74Å; F48-A57 HydrophobicContact CZ-CB 3.33Å
49	W	89.2	Confident	90.2	Very high	156 Å²	156	70.3 Å²	70.3	59%	0.591	32%	0.319	S	S	*	.	S	Bend	trans	-82.8	-25.8	178.4	-66.5	99.1	0	0	0	113.5	K34	K34-W49 HydrophobicContact CB-CD2 4.04Å; K34-W49 HydrophobicContact CB-CG 4.16Å; K34-W49 HydrophobicContact CB-CZ2 4.18Å; K34-W49 HydrophobicContact CD-CD2 3.98Å; K34-W49 HydrophobicContact CD-CE3 3.94Å; K34-W49 HydrophobicContact CD-CH2 4.14Å; K34-W49 HydrophobicContact CD-CZ2 4.16Å; K34-W49 HydrophobicContact CD-CZ3 4.03Å; K34-W49 HydrophobicContact CG-CD2 4.06Å; K34-W49 HydrophobicContact CG-CE3 4.43Å; K34-W49 HydrophobicContact CG-CH2 4.1Å; K34-W49 HydrophobicContact CG-CZ2 3.68Å; K34-W49 HydrophobicContact CG-CZ3 4.45Å
50	K	89.5	Confident	90.5	Very high	129 Å²	129	70.3 Å²	70.3	56%	0.561	32%	0.316	S	S	*	.	S	Bend	trans	-136.5	149	-175.5	-60.4	-174.6	177.7	-170.9	0	110.8	Y8 Q52 D53 L54	Y8-K50 VanDerWaalsContact CD2-C 3.5Å; K50-Q52 VanDerWaalsContact C-N 3.31Å; K50-Q52 PolarHBondContact O-N 2.96Å; K50-D53 HydrophobicContact CB-CB 4.47Å; K50-D53 WeakPolarHBondContact O-CB 3.43Å; K50-D53 PolarHBondContact O-N 2.93Å; K50-L54 PolarHBondContact O-N 2.64Å
51	E	90.7	Very high	90.9	Very high	88 Å²	88	71 Å²	71	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-40.8	174.9	-154.5	169.3	129.2	0	0	112.5	Y8 D53 L54 Y55	Y8-E51 HydrophobicContact CD1-CB 3.96Å; Y8-E51 HydrophobicContact CD1-CG 3.78Å; Y8-E51 HydrophobicContact CD2-CB 4.48Å; Y8-E51 HydrophobicContact CE1-CB 3.5Å; Y8-E51 HydrophobicContact CE1-CG 3.38Å; Y8-E51 WeakPolarHBondContact CE1-OE2 3.47Å; Y8-E51 HydrophobicContact CE2-CB 4.07Å; Y8-E51 HydrophobicContact CG-CB 4.4Å; Y8-E51 PolarHBondContact OH-OE2 3.37Å; E51-D53 PolarHBondContact O-N 3.2Å; E51-D53 VanDerWaalsContact O-N 3.16Å; E51-L54 WeakPolarHBondContact O-CA 3.33Å; E51-L54 WeakPolarHBondContact O-CB 3.48Å; E51-L54 PolarHBondContact O-N 2.92Å; E51-Y55 HydrophobicContact CG-CD2 4.09Å; E51-Y55 HydrophobicContact CG-CE2 3.92Å; E51-Y55 WeakPolarHBondContact O-CD2 3.47Å; E51-Y55 PolarHBondContact O-N 3.46Å
52	Q	91.2	Very high	91.3	Very high	125 Å²	125	67.1 Å²	67.1	58%	0.584	31%	0.306	S	S	*	.	H	α-helix	trans	-57.2	-30.9	174.9	-63	-178.8	-2.7	0	0	112.7	K50 K56	K50-Q52 VanDerWaalsContact C-N 3.31Å; K50-Q52 PolarHBondContact O-N 2.96Å; Q52-K56 WeakPolarHBondContact O-CB 3.41Å; Q52-K56 VanDerWaalsContact O-CD 3.27Å; Q52-K56 WeakPolarHBondContact O-CD 3.43Å; Q52-K56 WeakPolarHBondContact O-CG 3.44Å; Q52-K56 PolarHBondContact O-N 2.76Å
53	D	92.7	Very high	91.5	Very high	28 Å²	28	74.2 Å²	74.2	15%	0.15	33%	0.334	C	S	.	.	H	α-helix	trans	-78.8	-31.8	178.3	-69.1	-26.1	0	0	0	111.5	I31 F48 K50 E51 K56 A57	I31-D53 HydrophobicContact CG2-CB 3.62Å; F48-D53 HydrophobicContact CB-CB 4.21Å; F48-D53 HydrophobicContact CD1-CB 4.06Å; F48-D53 HydrophobicContact CG-CB 4.38Å; K50-D53 HydrophobicContact CB-CB 4.47Å; K50-D53 WeakPolarHBondContact O-CB 3.43Å; K50-D53 PolarHBondContact O-N 2.93Å; E51-D53 PolarHBondContact O-N 3.2Å; E51-D53 VanDerWaalsContact O-N 3.16Å; D53-K56 IonicContact OD1-NZ 3.82Å; D53-A57 WeakPolarHBondContact O-CB 3.45Å; D53-A57 PolarHBondContact O-N 3.37Å
54	L	92.3	Very high	91.4	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-64.7	-48.8	167.9	173.8	60.7	0	0	0	111.2	Y8 A10 F48 K50 E51 K56 A57 L58 E73	Y8-L54 HydrophobicContact CD1-CD2 4.35Å; A10-L54 HydrophobicContact CB-CD1 3.67Å; F48-L54 HydrophobicContact CD2-CB 4.26Å; F48-L54 HydrophobicContact CD2-CD1 4.25Å; F48-L54 HydrophobicContact CE2-CD1 4.35Å; K50-L54 PolarHBondContact O-N 2.64Å; E51-L54 WeakPolarHBondContact O-CA 3.33Å; E51-L54 WeakPolarHBondContact O-CB 3.48Å; E51-L54 PolarHBondContact O-N 2.92Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 3.2Å; L54-A57 CarbonylContact O-C 3.57Å; L54-A57 WeakPolarHBondContact O-CA 3.33Å; L54-A57 WeakPolarHBondContact O-CB 3.29Å; L54-A57 PolarHBondContact O-N 2.85Å; L54-L58 HydrophobicContact CD1-CD1 4.03Å; L54-L58 HydrophobicContact CD1-CD2 4.46Å; L54-L58 HydrophobicContact CD1-CG 4.02Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 HydrophobicContact CG-CG 4.45Å; L54-L58 WeakPolarHBondContact O-CG 3.21Å; L54-L58 PolarHBondContact O-N 2.82Å; L54-E73 HydrophobicContact CD2-CG 4.37Å
55	Y	92.9	Very high	91	Very high	127 Å²	127	74.3 Å²	74.3	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-38	176.8	-83.7	-72.9	0	0	0	113.2	E51 K59	E51-Y55 HydrophobicContact CG-CD2 4.09Å; E51-Y55 HydrophobicContact CG-CE2 3.92Å; E51-Y55 WeakPolarHBondContact O-CD2 3.47Å; E51-Y55 PolarHBondContact O-N 3.46Å; Y55-K59 WeakPolarHBondContact O-CG 3.35Å; Y55-K59 PolarHBondContact O-N 2.82Å
56	K	92.1	Very high	90.6	Very high	108 Å²	108	76.6 Å²	76.6	47%	0.47	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-36.3	171.9	-70.2	163.2	-163.7	165.8	0	111.9	I31 Q52 D53 L54	I31-K56 HydrophobicContact CD1-CB 3.67Å; I31-K56 HydrophobicContact CG1-CB 4.26Å; Q52-K56 WeakPolarHBondContact O-CB 3.41Å; Q52-K56 VanDerWaalsContact O-CD 3.27Å; Q52-K56 WeakPolarHBondContact O-CD 3.43Å; Q52-K56 WeakPolarHBondContact O-CG 3.44Å; Q52-K56 PolarHBondContact O-N 2.76Å; D53-K56 IonicContact OD1-NZ 3.82Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 3.2Å
57	A	93	Very high	90.4	Very high	0 Å²	0	83.7 Å²	83.7	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-67.5	-44.6	176.8	0	0	0	0	0	112.2	F28 I31 F48 D53 L54 K59 K60 I71	F28-A57 HydrophobicContact CD1-CB 4.05Å; F28-A57 HydrophobicContact CE1-CB 3.68Å; I31-A57 HydrophobicContact CD1-CB 4.2Å; F48-A57 HydrophobicContact CE1-CB 3.95Å; F48-A57 HydrophobicContact CE2-CB 3.74Å; F48-A57 HydrophobicContact CZ-CB 3.33Å; D53-A57 WeakPolarHBondContact O-CB 3.45Å; D53-A57 PolarHBondContact O-N 3.37Å; L54-A57 CarbonylContact O-C 3.57Å; L54-A57 WeakPolarHBondContact O-CA 3.33Å; L54-A57 WeakPolarHBondContact O-CB 3.29Å; L54-A57 PolarHBondContact O-N 2.85Å; A57-K59 VanDerWaalsContact C-N 3.28Å; A57-K59 PolarHBondContact O-N 3.19Å; A57-K60 WeakPolarHBondContact O-CB 3.49Å; A57-K60 PolarHBondContact O-N 3.45Å; A57-I71 VanDerWaalsContact O-CD1 3.29Å; A57-I71 WeakPolarHBondContact O-CD1 3.47Å
58	L	93.1	Very high	90.4	Very high	45 Å²	45	84.7 Å²	84.7	24%	0.236	42%	0.42	C	S	.	.	H	α-helix	trans	-61.2	-34.8	179.2	-70.3	167.1	0	0	0	112.8	L54 K60 I71 E72 E73	L54-L58 HydrophobicContact CD1-CD1 4.03Å; L54-L58 HydrophobicContact CD1-CD2 4.46Å; L54-L58 HydrophobicContact CD1-CG 4.02Å; L54-L58 HydrophobicContact CG-CD1 4.01Å; L54-L58 HydrophobicContact CG-CG 4.45Å; L54-L58 WeakPolarHBondContact O-CG 3.21Å; L54-L58 PolarHBondContact O-N 2.82Å; L58-K60 PolarHBondContact O-N 3.47Å; L58-I71 HydrophobicContact CD2-CG2 4.19Å; L58-E72 VanDerWaalsContact CD2-C 3.43Å; L58-E73 HydrophobicContact CD1-CB 4.16Å; L58-E73 HydrophobicContact CD2-CB 4.07Å; L58-E73 VanDerWaalsContact CD2-N 3.33Å
59	K	91.8	Very high	90.4	Very high	179 Å²	179	85.2 Å²	85.2	78%	0.778	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.2	175.8	-67.5	-179.2	-178.9	-175.4	0	113.6	Y55 A57	Y55-K59 WeakPolarHBondContact O-CG 3.35Å; Y55-K59 PolarHBondContact O-N 2.82Å; A57-K59 VanDerWaalsContact C-N 3.28Å; A57-K59 PolarHBondContact O-N 3.19Å
60	K	90.1	Very high	90.5	Very high	62 Å²	62	84 Å²	84	27%	0.27	42%	0.422	S	S	.	.			trans	-88.9	111	-173.2	-161.4	172.1	-160.1	177.9	0	112.8	F27 F28 K29 A57 L58 I71	F27-K60 HydrophobicContact CZ-CG 4.4Å; F27-K60 VanDerWaalsContact O-CE 3.3Å; F27-K60 WeakPolarHBondContact O-CE 3.36Å; F27-K60 PolarHBondContact O-NZ 2.93Å; F28-K60 PolarHBondContact O-NZ 3.43Å; K29-K60 PolarHBondContact O-NZ 2.99Å; A57-K60 WeakPolarHBondContact O-CB 3.49Å; A57-K60 PolarHBondContact O-N 3.45Å; L58-K60 PolarHBondContact O-N 3.47Å; K60-I71 HydrophobicContact CB-CD1 4.4Å; K60-I71 WeakPolarHBondContact O-CD1 3.44Å
61	K	89.9	Confident	90.7	Very high	198 Å²	198	78.8 Å²	78.8	86%	0.861	40%	0.4	S	S	*	.			trans	-97.8	151.1	172.3	-63.3	179	-178.3	176.1	0	111
62	G	89.9	Confident	90.8	Very high	33 Å²	33	77 Å²	77	34%	0.34	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-163.6	172.9	0	0	0	0	0	114.2	V69	G62-V69 WeakPolarHBondContact O-CG2 3.44Å; G62-V69 PolarHBondContact O-N 3.03Å
63	K	90.8	Very high	90.7	Very high	157 Å²	157	75.7 Å²	75.7	68%	0.683	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.3	-176.9	-64.4	175.4	175.8	-177.7	0	111.6	R67 A68	K63-R67 CarbonylContact C-O 3.49Å; K63-R67 WeakPolarHBondContact CA-O 3.26Å; K63-R67 WeakPolarHBondContact CB-O 3.3Å; K63-A68 HydrophobicContact CG-CB 4.38Å
64	V	88.5	Confident	90.3	Very high	7 Å²	7	77.3 Å²	77.3	4%	0.042	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	118.5	175.4	178.5	0	0	0	0	108.9	F15 V19 I24 F27 R67 V69	F15-V64 HydrophobicContact CB-CB 4.43Å; F15-V64 HydrophobicContact CB-CG1 4.34Å; V19-V64 HydrophobicContact CB-CG1 4.48Å; V19-V64 HydrophobicContact CG1-CG1 3.54Å; V19-V64 HydrophobicContact CG2-CG1 4.09Å; I24-V64 HydrophobicContact CG1-CG1 4.08Å; F27-V64 HydrophobicContact CB-CG2 3.64Å; F27-V64 HydrophobicContact CD1-CG2 3.92Å; F27-V64 HydrophobicContact CD2-CG2 3.4Å; F27-V64 VanDerWaalsContact CD2-CG2 3.4Å; F27-V64 HydrophobicContact CE1-CG2 4.47Å; F27-V64 HydrophobicContact CE2-CG2 4.02Å; F27-V64 HydrophobicContact CG-CG2 3.35Å; V64-R67 PolarHBondContact N-O 3.32Å; V64-V69 HydrophobicContact CB-CG1 4.18Å; V64-V69 HydrophobicContact CB-CG2 4.2Å; V64-V69 HydrophobicContact CG2-CG1 4.4Å; V64-V69 HydrophobicContact CG2-CG2 3.67Å
65	G	83	Confident	89.6	Confident	52 Å²	52	83.6 Å²	83.6	54%	0.536	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	47.7	-172.3	0	0	0	0	0	112.1	R67	G65-R67 PolarHBondContact O-N 2.88Å
66	G	84.9	Confident	88.3	Confident	64 Å²	64	87.1 Å²	87.1	66%	0.66	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-33	-178.8	0	0	0	0	0	115.8
67	R	88.3	Confident	86.5	Confident	148 Å²	148	90.7 Å²	90.7	56%	0.558	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.4	-177.5	-63.8	-176.3	-178.9	155.3	5.7	112.4	G14 K63 V64 G65	G14-R67 VanDerWaalsContact O-CB 3.27Å; G14-R67 WeakPolarHBondContact O-CB 3.33Å; K63-R67 CarbonylContact C-O 3.49Å; K63-R67 WeakPolarHBondContact CA-O 3.26Å; K63-R67 WeakPolarHBondContact CB-O 3.3Å; V64-R67 PolarHBondContact N-O 3.32Å; G65-R67 PolarHBondContact O-N 2.88Å
68	A	91.6	Very high	84.4	Confident	70 Å²	70	99 Å²	99	58%	0.579	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	136	173.1	0	0	0	0	0	110.4	K63	K63-A68 HydrophobicContact CG-CB 4.38Å
69	V	92.7	Very high	81.6	Confident	11 Å²	11	103.2 Å²	103.2	7%	0.067	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.9	178.1	-87	0	0	0	0	111	I12 K13 F15 F27 G62 V64	I12-V69 HydrophobicContact CD1-CB 3.98Å; I12-V69 HydrophobicContact CD1-CG1 3.99Å; I12-V69 HydrophobicContact CD1-CG2 4.17Å; I12-V69 HydrophobicContact CG1-CB 3.91Å; I12-V69 HydrophobicContact CG1-CG1 3.92Å; K13-V69 CarbonylContact O-C 3.52Å; K13-V69 VanDerWaalsContact O-CA 3.29Å; K13-V69 WeakPolarHBondContact O-CA 3.31Å; F15-V69 HydrophobicContact CB-CG1 3.74Å; F15-V69 HydrophobicContact CD1-CG1 4.34Å; F27-V69 HydrophobicContact CE1-CG2 4.19Å; F27-V69 HydrophobicContact CE2-CG2 4.03Å; F27-V69 HydrophobicContact CZ-CG2 3.76Å; G62-V69 WeakPolarHBondContact O-CG2 3.44Å; G62-V69 PolarHBondContact O-N 3.03Å; V64-V69 HydrophobicContact CB-CG1 4.18Å; V64-V69 HydrophobicContact CB-CG2 4.2Å; V64-V69 HydrophobicContact CG2-CG1 4.4Å; V64-V69 HydrophobicContact CG2-CG2 3.67Å
70	K	91.9	Very high	79	Confident	132 Å²	132	103.6 Å²	103.6	57%	0.574	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.8	168.8	-167	-175.5	178.9	-157.1	0	108.6	I12 K13 E72	I12-K70 WeakPolarHBondContact CA-O 3.49Å; K13-K70 PolarHBondContact N-O 3.06Å; K13-K70 PolarHBondContact O-N 2.8Å; K70-E72 HydrophobicContact CD-CG 4.27Å; K70-E72 WeakPolarHBondContact CD-OE1 3.34Å; K70-E72 VanDerWaalsContact CE-OE1 3.27Å; K70-E72 WeakPolarHBondContact CE-OE1 3.23Å; K70-E72 HydrophobicContact CG-CG 4.35Å; K70-E72 IonicContact NZ-OE1 2.62Å; K70-E72 PolarHBondContact NZ-OE1 3.29Å
71	I	93.8	Very high	76.2	Confident	19 Å²	19	106.8 Å²	106.8	10%	0.097	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.2	176	-47.1	173.6	0	0	0	106.6	A10 I12 F27 F28 A57 L58 K60	A10-I71 HydrophobicContact CB-CG2 3.78Å; I12-I71 HydrophobicContact CD1-CG1 4.45Å; I12-I71 HydrophobicContact CG1-CG1 4.3Å; F27-I71 HydrophobicContact CE1-CD1 3.83Å; F27-I71 HydrophobicContact CZ-CD1 4.19Å; F28-I71 HydrophobicContact CE1-CD1 3.84Å; F28-I71 HydrophobicContact CZ-CD1 3.88Å; A57-I71 VanDerWaalsContact O-CD1 3.29Å; A57-I71 WeakPolarHBondContact O-CD1 3.47Å; L58-I71 HydrophobicContact CD2-CG2 4.19Å; K60-I71 HydrophobicContact CB-CD1 4.4Å; K60-I71 WeakPolarHBondContact O-CD1 3.44Å
72	E	91.2	Very high	73.7	Confident	50 Å²	50	101.8 Å²	101.8	23%	0.234	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.9	177.6	-65.4	170	-174.9	0	0	108	A10 K11 K13 L58 K70	A10-E72 CarbonylContact C-O 3.53Å; A10-E72 WeakPolarHBondContact CA-O 3.49Å; K11-E72 PolarHBondContact N-O 3.24Å; K11-E72 PolarHBondContact O-N 2.88Å; K13-E72 WeakPolarHBondContact CE-OE2 3.28Å; K13-E72 IonicContact NZ-OE1 2.75Å; K13-E72 PolarHBondContact NZ-OE1 2.86Å; K13-E72 IonicContact NZ-OE2 3.7Å; K13-E72 PolarHBondContact NZ-OE2 3.33Å; L58-E72 VanDerWaalsContact CD2-C 3.43Å; K70-E72 HydrophobicContact CD-CG 4.27Å; K70-E72 WeakPolarHBondContact CD-OE1 3.34Å; K70-E72 VanDerWaalsContact CE-OE1 3.27Å; K70-E72 WeakPolarHBondContact CE-OE1 3.23Å; K70-E72 HydrophobicContact CG-CG 4.35Å; K70-E72 IonicContact NZ-OE1 2.62Å; K70-E72 PolarHBondContact NZ-OE1 3.29Å
73	E	89.5	Confident	70.7	Confident	98 Å²	98	106.4 Å²	106.4	46%	0.458	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.2	135.1	173.4	-173.5	158.4	-162.9	0	0	109.6	L54 L58 I75	L54-E73 HydrophobicContact CD2-CG 4.37Å; L58-E73 HydrophobicContact CD1-CB 4.16Å; L58-E73 HydrophobicContact CD2-CB 4.07Å; L58-E73 VanDerWaalsContact CD2-N 3.33Å; E73-I75 PolarHBondContact O-N 2.95Å
74	H	84.9	Confident	68.2	Low	61 Å²	61	104 Å²	104	28%	0.282	56%	0.557	S	S	.	*			trans	-83.5	79.1	175.2	-175.8	23.4	0	0	0	109.9	V9 K11 L45 R76	V9-H74 HydrophobicContact CB-CB 3.97Å; V9-H74 HydrophobicContact CG1-CB 3.9Å; V9-H74 WeakPolarHBondContact O-CB 3.49Å; V9-H74 PolarHBondContact O-N 3.25Å; K11-H74 HydrophobicContact CB-CB 4.22Å; L45-H74 HydrophobicContact CD2-CB 3.98Å; H74-R76 PolarHBondContact O-N 2.97Å
75	I	77.1	Confident	65.9	Low	134 Å²	134	113 Å²	113	69%	0.687	60%	0.599	S	S	*	*			trans	-52.5	113.4	157.9	-56.4	173.5	0	0	0	106.5	E73 K77	E73-I75 PolarHBondContact O-N 2.95Å; I75-K77 PolarHBondContact O-N 3.17Å
76	R	65.3	Low	63.9	Low	201 Å²	201	116.9 Å²	116.9	76%	0.758	61%	0.607	S	S	*	*			trans	-65.7	121.1	158.9	-87.2	-178.2	168.1	169.9	-3.9	105.6	H74 E78	H74-R76 PolarHBondContact O-N 2.97Å; R76-E78 PolarHBondContact O-N 2.75Å
77	K	55.9	Low	62.4	Low	184 Å²	184	120 Å²	120	80%	0.8	61%	0.613	S	S	*	*			trans	-64	100	152.3	-73	-159.9	170.8	-153.8	0	106.1	I75 N79	I75-K77 PolarHBondContact O-N 3.17Å; K77-N79 PolarHBondContact O-N 3.17Å
78	E	47.5	Very low	60.6	Low	175 Å²	175	120.8 Å²	120.8	82%	0.818	63%	0.628	S	S	*	*			trans	-56	116.3	143	-62.8	-172.8	163.6	0	0	104.4	R76 E80	R76-E78 PolarHBondContact O-N 2.75Å; E78-E80 PolarHBondContact O-N 3.26Å; E78-E80 VanDerWaalsContact O-N 3.12Å
79	N	35	Very low	58.9	Low	133 Å²	133	123.4 Å²	123.4	71%	0.711	64%	0.637	S	S	*	*			trans	-65	118.7	175.4	-80.1	-3.6	0	0	0	106	K77 T81	K77-N79 PolarHBondContact O-N 3.17Å; N79-T81 PolarHBondContact O-N 3.16Å; N79-T81 PolarHBondContact O-OG1 3.31Å; N79-T81 VanDerWaalsContact O-OG1 3.09Å
80	E	37.9	Very low	57.1	Low	187 Å²	187	125.6 Å²	125.6	87%	0.874	65%	0.651	S	S	*	*			trans	-55.9	94.3	171.9	-69.9	166.9	134.8	0	0	107.5	E78 S82	E78-E80 PolarHBondContact O-N 3.26Å; E78-E80 VanDerWaalsContact O-N 3.12Å; E80-S82 PolarHBondContact O-N 3.11Å
81	T	31.6	Very low	55.4	Low	128 Å²	128	129.3 Å²	129.3	79%	0.785	67%	0.667	S	S	*	*			trans	-80.4	76.5	174.6	-53.4	0	0	0	0	104.7	N79 C83	N79-T81 PolarHBondContact O-N 3.16Å; N79-T81 PolarHBondContact O-OG1 3.31Å; N79-T81 VanDerWaalsContact O-OG1 3.09Å; T81-C83 PolarHBondContact O-N 3.24Å
82	S	35.9	Very low	53.8	Low	94 Å²	94	137.2 Å²	137.2	66%	0.657	70%	0.696	S	S	*	*			trans	-48.8	114.9	-176.8	53.2	0	0	0	0	108.8	E80 V84	E80-S82 PolarHBondContact O-N 3.11Å; S82-V84 PolarHBondContact O-N 3.42Å
83	C	28	Very low	52.3	Low	129 Å²	129	143.2 Å²	143.2	87%	0.872	73%	0.729	S	S	*	*			trans	-76	64.6	-165.1	53.9	0	0	0	0	112.9	T81	T81-C83 PolarHBondContact O-N 3.24Å
84	V	38.6	Very low	51.1	Low	106 Å²	106	143.6 Å²	143.6	64%	0.642	74%	0.738	S	S	*	*			trans	-73.6	137.9	153.4	-178	0	0	0	0	107.3	S82 N86	S82-V84 PolarHBondContact O-N 3.42Å; V84-N86 VanDerWaalsContact C-N 3.25Å; V84-N86 PolarHBondContact O-N 2.99Å; V84-N86 PolarHBondContact O-ND2 2.89Å
85	Q	38.5	Very low	50.6	Low	197 Å²	197	145.8 Å²	145.8	92%	0.921	75%	0.746	S	S	*	*			trans	-67.7	75.3	-174.6	-65.6	172.3	-12.7	0	0	112.3
86	N	42	Very low	50.9	Low	134 Å²	134	142.6 Å²	142.6	72%	0.717	73%	0.733	S	S	*	*			trans	-97	122.3	171.8	-69.8	-74.7	0	0	0	109	V84	V84-N86 VanDerWaalsContact C-N 3.25Å; V84-N86 PolarHBondContact O-N 2.99Å; V84-N86 PolarHBondContact O-ND2 2.89Å
87	V	52.1	Low	51.9	Low	130 Å²	130	138.7 Å²	138.7	79%	0.788	73%	0.727	S	S	*	*			trans	-52.9	147.3	174.6	-178.3	0	0	0	0	110.1	V89	V87-V89 PolarHBondContact O-N 2.63Å
88	D	52.4	Low	53.4	Low	164 Å²	164	137.3 Å²	137.3	88%	0.877	72%	0.724	S	S	*	*			trans	-62.3	75.6	175.9	-83.4	-58.9	0	0	0	112.5	P90	D88-P90 WeakPolarHBondContact O-CD 3.1Å
89	V	54.4	Low	55.4	Low	125 Å²	125	133.1 Å²	133.1	76%	0.758	70%	0.704	S	S	*	*			trans	-70	118.9	169.8	-177.6	0	0	0	0	107.5	V87 K91	V87-V89 PolarHBondContact O-N 2.63Å; V89-K91 PolarHBondContact O-N 2.79Å
90	P	54.6	Low	58	Low	57 Å²	57	127.2 Å²	127.2	37%	0.37	67%	0.673	S	S	.	*			trans	-61.2	141.1	-178.3	23.3	-32.9	0	0	0	111.2	D88 W92 V94	D88-P90 WeakPolarHBondContact O-CD 3.1Å; P90-W92 HydrophobicContact CB-CD2 3.99Å; P90-W92 VanDerWaalsContact CB-CE2 3.46Å; P90-W92 HydrophobicContact CB-CG 4.32Å; P90-W92 HydrophobicContact CB-CH2 4.41Å; P90-W92 HydrophobicContact CB-CZ2 3.71Å; P90-W92 CarbonylContact O-C 3.58Å; P90-W92 PolarHBondContact O-N 3.29Å; P90-V94 HydrophobicContact CG-CG2 4.13Å
91	K	57	Low	60.6	Low	209 Å²	209	119.8 Å²	119.8	91%	0.909	64%	0.64	S	S	*	*	S	Bend	trans	-68.6	-3.3	-173.5	-162.7	166.1	-176.5	169.1	0	114.6	V89	V89-K91 PolarHBondContact O-N 2.79Å
92	W	61.1	Low	63.6	Low	186 Å²	186	117.2 Å²	117.2	71%	0.705	63%	0.627	S	S	*	*	S	Bend	trans	-94.5	121.6	165	43.5	87.5	0	0	0	109	P90 V94	P90-W92 HydrophobicContact CB-CD2 3.99Å; P90-W92 VanDerWaalsContact CB-CE2 3.46Å; P90-W92 HydrophobicContact CB-CG 4.32Å; P90-W92 HydrophobicContact CB-CH2 4.41Å; P90-W92 HydrophobicContact CB-CZ2 3.71Å; P90-W92 CarbonylContact O-C 3.58Å; P90-W92 PolarHBondContact O-N 3.29Å; W92-V94 PolarHBondContact O-N 2.83Å
93	L	58.5	Low	66.2	Low	176 Å²	176	113.4 Å²	113.4	92%	0.921	60%	0.602	S	S	*	*			trans	-54.9	105.1	170.1	-82	150.9	0	0	0	109.2	K95	L93-K95 PolarHBondContact O-N 2.69Å
94	V	65.5	Low	69.3	Low	105 Å²	105	107.2 Å²	107.2	64%	0.636	56%	0.56	S	S	*	*			trans	-73.4	97.6	170.8	179.9	0	0	0	0	106.2	P90 W92 T96	P90-V94 HydrophobicContact CG-CG2 4.13Å; W92-V94 PolarHBondContact O-N 2.83Å; V94-T96 PolarHBondContact O-N 2.99Å
95	K	73.9	Confident	71.9	Confident	107 Å²	107	106.4 Å²	106.4	47%	0.465	55%	0.551	S	S	.	*			trans	-50	134	172	-71.7	-159.6	166.1	-158.8	0	109.7	L93 E99 T100	L93-K95 PolarHBondContact O-N 2.69Å; K95-E99 WeakPolarHBondContact CA-OE2 3.17Å; K95-E99 HydrophobicContact CB-CB 4.13Å; K95-E99 HydrophobicContact CD-CB 4.31Å; K95-E99 WeakPolarHBondContact CG-OE2 3.23Å; K95-T100 HydrophobicContact CB-CG2 3.91Å; K95-T100 HydrophobicContact CD-CG2 4.49Å
96	T	83.5	Confident	74.4	Confident	67 Å²	67	104.4 Å²	104.4	41%	0.411	54%	0.542	S	S	.	.			trans	-61.2	157.8	171.7	58.6	0	0	0	0	110.9	V94 E98 E99 T100	V94-T96 PolarHBondContact O-N 2.99Å; T96-E98 PolarHBondContact O-N 3.47Å; T96-E98 VanDerWaalsContact O-N 3.15Å; T96-E99 WeakPolarHBondContact CB-OE1 3.41Å; T96-E99 WeakPolarHBondContact CG2-OE1 3.48Å; T96-E99 PolarHBondContact N-OE1 2.9Å; T96-E99 PolarHBondContact O-N 3Å; T96-E99 VanDerWaalsContact OG1-CG 3.27Å; T96-E99 WeakPolarHBondContact OG1-CG 3.45Å; T96-E99 PolarHBondContact OG1-N 3.39Å; T96-E99 PolarHBondContact OG1-OE1 3.42Å; T96-T100 PolarHBondContact O-N 2.82Å
97	N	85.2	Confident	76.8	Confident	119 Å²	119	99.4 Å²	99.4	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-61.6	-21	174.4	-69	-29.4	0	0	0	112.3	T100 V101	N97-T100 WeakPolarHBondContact CA-OG1 3.27Å; N97-T100 PolarHBondContact O-OG1 2.81Å; N97-T100 VanDerWaalsContact O-OG1 3.08Å; N97-V101 WeakPolarHBondContact O-CB 3.29Å; N97-V101 VanDerWaalsContact O-CG2 3.23Å; N97-V101 WeakPolarHBondContact O-CG2 3.47Å; N97-V101 PolarHBondContact O-N 2.96Å
98	E	88.9	Confident	78.6	Confident	156 Å²	156	93.4 Å²	93.4	73%	0.729	48%	0.481	S	S	*	.	H	α-helix	trans	-76.1	-49.4	175.5	-66.1	171.2	-171.4	0	0	110.2	T96 T100 V101 S102	T96-E98 PolarHBondContact O-N 3.47Å; T96-E98 VanDerWaalsContact O-N 3.15Å; E98-T100 VanDerWaalsContact C-N 3.29Å; E98-T100 PolarHBondContact O-N 2.98Å; E98-V101 PolarHBondContact O-N 3.36Å; E98-S102 PolarHBondContact O-N 2.96Å; E98-S102 PolarHBondContact O-OG 3.14Å
99	E	89.3	Confident	80.6	Confident	87 Å²	87	86.2 Å²	86.2	41%	0.407	44%	0.442	S	S	.	.	H	α-helix	trans	-58.2	-36.2	172.8	-74	162.7	-109.7	0	0	113.7	K95 T96 A103	K95-E99 WeakPolarHBondContact CA-OE2 3.17Å; K95-E99 HydrophobicContact CB-CB 4.13Å; K95-E99 HydrophobicContact CD-CB 4.31Å; K95-E99 WeakPolarHBondContact CG-OE2 3.23Å; T96-E99 WeakPolarHBondContact CB-OE1 3.41Å; T96-E99 WeakPolarHBondContact CG2-OE1 3.48Å; T96-E99 PolarHBondContact N-OE1 2.9Å; T96-E99 PolarHBondContact O-N 3Å; T96-E99 VanDerWaalsContact OG1-CG 3.27Å; T96-E99 WeakPolarHBondContact OG1-CG 3.45Å; T96-E99 PolarHBondContact OG1-N 3.39Å; T96-E99 PolarHBondContact OG1-OE1 3.42Å; E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 3.4Å; E99-A103 VanDerWaalsContact O-N 3.1Å
100	T	89.2	Confident	82.6	Confident	9 Å²	9	80.3 Å²	80.3	6%	0.055	41%	0.406	C	S	.	.	H	α-helix	trans	-70.4	-42.6	176.4	58.9	0	0	0	0	111.2	K95 T96 N97 E98 A103 I104 Y166	K95-T100 HydrophobicContact CB-CG2 3.91Å; K95-T100 HydrophobicContact CD-CG2 4.49Å; T96-T100 PolarHBondContact O-N 2.82Å; N97-T100 WeakPolarHBondContact CA-OG1 3.27Å; N97-T100 PolarHBondContact O-OG1 2.81Å; N97-T100 VanDerWaalsContact O-OG1 3.08Å; E98-T100 VanDerWaalsContact C-N 3.29Å; E98-T100 PolarHBondContact O-N 2.98Å; T100-A103 PolarHBondContact O-N 2.84Å; T100-I104 WeakPolarHBondContact O-CD1 3.4Å; T100-I104 WeakPolarHBondContact O-CG1 3.37Å; T100-I104 PolarHBondContact O-N 3.19Å; T100-Y166 PolarHBondContact OG1-OH 2.83Å
101	V	93.2	Very high	84.5	Confident	30 Å²	30	79.9 Å²	79.9	18%	0.182	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-45	174.8	167.1	0	0	0	0	111.4	N97 E98 A103 I104 L105 V163 Y166	N97-V101 WeakPolarHBondContact O-CB 3.29Å; N97-V101 VanDerWaalsContact O-CG2 3.23Å; N97-V101 WeakPolarHBondContact O-CG2 3.47Å; N97-V101 PolarHBondContact O-N 2.96Å; E98-V101 PolarHBondContact O-N 3.36Å; V101-A103 PolarHBondContact O-N 3.12Å; V101-I104 PolarHBondContact O-N 3.47Å; V101-L105 HydrophobicContact CG1-CD1 4.12Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CG 3.07Å; V101-L105 PolarHBondContact O-N 3.1Å; V101-V163 HydrophobicContact CG1-CG1 3.94Å; V101-V163 HydrophobicContact CG1-CG2 4.06Å; V101-V163 HydrophobicContact CG2-CG1 4.25Å; V101-Y166 HydrophobicContact CG2-CD1 4.17Å; V101-Y166 HydrophobicContact CG2-CE1 4.04Å
102	S	93	Very high	86.4	Confident	74 Å²	74	69.9 Å²	69.9	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-45.4	176.6	-64	0	0	0	0	112.3	E98 I104 L105 E106	E98-S102 PolarHBondContact O-N 2.96Å; E98-S102 PolarHBondContact O-OG 3.14Å; S102-I104 VanDerWaalsContact C-N 3.29Å; S102-I104 PolarHBondContact O-N 3.34Å; S102-L105 PolarHBondContact O-N 3.24Å; S102-E106 PolarHBondContact O-N 3.47Å
103	A	91.8	Very high	88	Confident	14 Å²	14	66.2 Å²	66.2	12%	0.116	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-25.1	177.7	0	0	0	0	0	113.5	E99 T100 V101 T107 P183	E99-A103 WeakPolarHBondContact O-CB 3.38Å; E99-A103 PolarHBondContact O-N 3.4Å; E99-A103 VanDerWaalsContact O-N 3.1Å; T100-A103 PolarHBondContact O-N 2.84Å; V101-A103 PolarHBondContact O-N 3.12Å; A103-T107 WeakPolarHBondContact O-CG2 3.45Å; A103-T107 PolarHBondContact O-N 3.24Å; A103-T107 PolarHBondContact O-OG1 2.87Å; A103-P183 HydrophobicContact CB-CB 3.67Å; A103-P183 HydrophobicContact CB-CG 4.19Å
104	I	93.3	Very high	89.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-75.9	-37.5	171.7	-68.4	164.7	0	0	0	110.8	T100 V101 S102 G108 L110 A162 V163 Y166 P183	T100-I104 WeakPolarHBondContact O-CD1 3.4Å; T100-I104 WeakPolarHBondContact O-CG1 3.37Å; T100-I104 PolarHBondContact O-N 3.19Å; V101-I104 PolarHBondContact O-N 3.47Å; S102-I104 VanDerWaalsContact C-N 3.29Å; S102-I104 PolarHBondContact O-N 3.34Å; I104-G108 WeakPolarHBondContact O-CA 3.36Å; I104-G108 PolarHBondContact O-N 3.47Å; I104-L110 HydrophobicContact CB-CD2 4.48Å; I104-L110 HydrophobicContact CD1-CD2 3.83Å; I104-L110 HydrophobicContact CG1-CD2 3.87Å; I104-L110 HydrophobicContact CG2-CD2 3.72Å; I104-A162 HydrophobicContact CG2-CB 3.5Å; I104-V163 HydrophobicContact CB-CG2 4.14Å; I104-V163 HydrophobicContact CG2-CG2 3.68Å; I104-Y166 HydrophobicContact CD1-CD1 3.46Å; I104-Y166 VanDerWaalsContact CD1-CD1 3.46Å; I104-Y166 HydrophobicContact CD1-CD2 4.04Å; I104-Y166 HydrophobicContact CD1-CE1 3.94Å; I104-Y166 HydrophobicContact CD1-CE2 4.48Å; I104-Y166 HydrophobicContact CD1-CG 3.5Å; I104-P183 HydrophobicContact CG1-CB 3.97Å
105	L	92.8	Very high	91.1	Very high	88 Å²	88	55.8 Å²	55.8	46%	0.461	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-37.9	175	-72.1	172	0	0	0	112.7	V101 S102 P159 V163	V101-L105 HydrophobicContact CG1-CD1 4.12Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CG 3.07Å; V101-L105 PolarHBondContact O-N 3.1Å; S102-L105 PolarHBondContact O-N 3.24Å; L105-P159 HydrophobicContact CD2-CB 4.36Å; L105-P159 WeakPolarHBondContact O-CB 3.48Å; L105-V163 HydrophobicContact CD2-CG2 3.59Å; L105-V163 HydrophobicContact CG-CG2 3.68Å
106	E	91.7	Very high	92	Very high	155 Å²	155	51.9 Å²	51.9	72%	0.724	27%	0.268	S	S	*	.	H	α-helix	trans	-65.2	-46.7	176.8	-178.2	176.7	-143.9	0	0	112	S102	S102-E106 PolarHBondContact O-N 3.47Å
107	T	90.8	Very high	92.4	Very high	29 Å²	29	55.2 Å²	55.2	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-96.7	-19	-170.2	61	0	0	0	0	115	A103 R109 G184 E186	A103-T107 WeakPolarHBondContact O-CG2 3.45Å; A103-T107 PolarHBondContact O-N 3.24Å; A103-T107 PolarHBondContact O-OG1 2.87Å; T107-R109 PolarHBondContact O-N 3.32Å; T107-R109 PolarHBondContact OG1-N 2.86Å; T107-G184 PolarHBondContact OG1-O 2.9Å; T107-E186 HydrophobicContact CG2-CG 4.01Å
108	G	91.6	Very high	92.6	Very high	4 Å²	4	52.9 Å²	52.9	4%	0.041	27%	0.272	C	S	.	.			trans	60.5	9.2	-169.6	0	0	0	0	0	114.8	I104 F156	I104-G108 WeakPolarHBondContact O-CA 3.36Å; I104-G108 PolarHBondContact O-N 3.47Å; G108-F156 PolarHBondContact O-N 2.99Å
109	R	93.3	Very high	92.6	Very high	14 Å²	14	45.7 Å²	45.7	5%	0.053	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.8	-165.1	-162.4	167.3	-176.9	-149.3	12.4	112.1	T107 T155 G184 Q185 E186 N187	T107-R109 PolarHBondContact O-N 3.32Å; T107-R109 PolarHBondContact OG1-N 2.86Å; R109-T155 HydrophobicContact CB-CG2 4.18Å; R109-T155 HydrophobicContact CG-CG2 4.23Å; R109-T155 PolarHBondContact NE-OG1 3.37Å; R109-G184 WeakPolarHBondContact O-CA 3.43Å; R109-G184 PolarHBondContact O-N 3.45Å; R109-Q185 WeakPolarHBondContact CD-O 3.42Å; R109-Q185 PolarHBondContact NH1-O 3.21Å; R109-E186 PolarHBondContact NH1-O 2.86Å; R109-N187 PolarHBondContact NH2-OD1 3.49Å
110	L	95.5	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.8	177.1	-58.2	-176.3	0	0	0	110.2	I104 V112 F128 F153 I154 F156 A162 A165 I181	I104-L110 HydrophobicContact CB-CD2 4.48Å; I104-L110 HydrophobicContact CD1-CD2 3.83Å; I104-L110 HydrophobicContact CG1-CD2 3.87Å; I104-L110 HydrophobicContact CG2-CD2 3.72Å; L110-V112 HydrophobicContact CB-CG2 4.4Å; L110-F128 HydrophobicContact CD1-CD1 4.33Å; L110-F128 HydrophobicContact CD1-CE1 3.86Å; L110-F153 CarbonylContact O-C 3.53Å; L110-F153 VanDerWaalsContact O-CA 3.28Å; L110-F153 WeakPolarHBondContact O-CA 3.4Å; L110-I154 PolarHBondContact N-O 3.07Å; L110-I154 PolarHBondContact O-N 2.89Å; L110-F156 HydrophobicContact CD1-CD2 4.34Å; L110-F156 HydrophobicContact CD1-CE2 3.8Å; L110-F156 HydrophobicContact CG-CE2 4.49Å; L110-A162 HydrophobicContact CD2-CB 4.1Å; L110-A162 HydrophobicContact CG-CB 4.15Å; L110-A165 HydrophobicContact CD1-CB 4.04Å; L110-I181 HydrophobicContact CB-CG2 4.05Å; L110-I181 HydrophobicContact CD1-CG2 4.05Å; L110-I181 HydrophobicContact CD2-CG2 3.93Å; L110-I181 HydrophobicContact CG-CG2 4.23Å
111	F	96	Very high	92.4	Very high	48 Å²	48	45.4 Å²	45.4	21%	0.211	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.6	165.6	175.2	-112.6	0	0	0	108.8	R113 F151 F153 I181 L182	F111-R113 HydrophobicContact CE1-CB 4.08Å; F111-R113 HydrophobicContact CE1-CG 4.5Å; F111-R113 HydrophobicContact CZ-CB 4.35Å; F111-F151 HydrophobicContact CD2-CD2 4.42Å; F111-F151 HydrophobicContact CE2-CB 4.04Å; F111-F151 AromaticContact CE2-CD2 3.48Å; F111-F151 HydrophobicContact CE2-CD2 3.48Å; F111-F151 VanDerWaalsContact CE2-CD2 3.48Å; F111-F151 HydrophobicContact CE2-CE2 4.09Å; F111-F151 AromaticContact CE2-CG 3.93Å; F111-F151 HydrophobicContact CE2-CG 3.93Å; F111-F151 HydrophobicContact CZ-CB 4.18Å; F111-F151 HydrophobicContact CZ-CD2 4.18Å; F111-F151 HydrophobicContact CZ-CG 4.21Å; F111-F153 HydrophobicContact CB-CD1 4.16Å; F111-F153 HydrophobicContact CB-CE1 4.16Å; F111-F153 AromaticContact CD2-CD1 3.84Å; F111-F153 HydrophobicContact CD2-CD1 3.84Å; F111-F153 HydrophobicContact CD2-CD2 4.49Å; F111-F153 AromaticContact CD2-CE1 3.43Å; F111-F153 HydrophobicContact CD2-CE1 3.43Å; F111-F153 VanDerWaalsContact CD2-CE1 3.43Å; F111-F153 HydrophobicContact CD2-CE2 4.15Å; F111-F153 HydrophobicContact CD2-CG 4.36Å; F111-F153 AromaticContact CD2-CZ 3.61Å; F111-F153 HydrophobicContact CD2-CZ 3.61Å; F111-F153 HydrophobicContact CE2-CE1 4.18Å; F111-F153 HydrophobicContact CE2-CE2 4.3Å; F111-F153 AromaticContact CE2-CZ 3.89Å; F111-F153 HydrophobicContact CE2-CZ 3.89Å; F111-F153 HydrophobicContact CG-CD1 4.48Å; F111-F153 HydrophobicContact CG-CE1 4.15Å; F111-I181 WeakPolarHBondContact O-CA 3.41Å; F111-L182 HydrophobicContact CB-CB 4.38Å; F111-L182 HydrophobicContact CD1-CB 4.21Å; F111-L182 HydrophobicContact CD1-CD1 4.1Å; F111-L182 HydrophobicContact CE1-CD1 4.49Å; F111-L182 PolarHBondContact N-O 3.04Å; F111-L182 PolarHBondContact O-N 3.2Å
112	V	95.8	Very high	92	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.5	-176.4	-171.4	0	0	0	0	108.5	L110 L115 F128 F151 A152 I154 I179 I181	L110-V112 HydrophobicContact CB-CG2 4.4Å; V112-L115 HydrophobicContact CG1-CD2 3.88Å; V112-L115 HydrophobicContact CG1-CG 4.24Å; V112-F128 HydrophobicContact CG1-CZ 4.32Å; V112-F128 HydrophobicContact CG2-CE1 4.27Å; V112-F128 HydrophobicContact CG2-CE2 4.29Å; V112-F128 HydrophobicContact CG2-CZ 3.66Å; V112-F151 CarbonylContact O-C 3.55Å; V112-F151 WeakPolarHBondContact O-CA 3.45Å; V112-F151 WeakPolarHBondContact O-CB 3.47Å; V112-A152 PolarHBondContact N-O 3.05Å; V112-A152 PolarHBondContact O-N 3.14Å; V112-I154 HydrophobicContact CG2-CD1 4.05Å; V112-I154 HydrophobicContact CG2-CG1 4.39Å; V112-I179 HydrophobicContact CG1-CB 4.31Å; V112-I181 HydrophobicContact CG1-CG1 4.37Å; V112-I181 HydrophobicContact CG2-CG1 4.32Å
113	R	94.9	Very high	91.9	Very high	108 Å²	108	51 Å²	51	41%	0.408	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	163.2	-179.6	69.2	178.3	-179	96.4	3.7	112.6	F111 F151 H180	F111-R113 HydrophobicContact CE1-CB 4.08Å; F111-R113 HydrophobicContact CE1-CG 4.5Å; F111-R113 HydrophobicContact CZ-CB 4.35Å; R113-F151 HydrophobicContact CB-CB 4.26Å; R113-H180 HydrophobicContact CG-CB 3.99Å; R113-H180 WeakPolarHBondContact CG-O 3.49Å; R113-H180 PolarHBondContact N-O 2.92Å; R113-H180 PolarHBondContact NE-ND1 2.98Å; R113-H180 PolarHBondContact NH2-ND1 3.04Å; R113-H180 PolarHBondContact O-N 3.46Å
114	N	95.1	Very high	92	Very high	62 Å²	62	50.4 Å²	50.4	33%	0.332	25%	0.251	S	S	.	.	S	Bend	trans	69.2	27.8	-175.7	-163.2	37.9	0	0	0	114.9	G150 R177 L178	N114-G150 PolarHBondContact N-O 2.84Å; N114-R177 WeakPolarHBondContact O-CB 3.43Å; N114-R177 PolarHBondContact O-NE 3.04Å; N114-R177 PolarHBondContact OD1-NE 3.12Å; N114-R177 VanDerWaalsContact OD1-NE 3.15Å; N114-R177 PolarHBondContact OD1-NH2 2.92Å; N114-L178 WeakPolarHBondContact CB-O 3.21Å; N114-L178 PolarHBondContact ND2-O 3.41Å
115	L	94.5	Very high	91.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.			trans	-63.1	154.7	169.7	-62.6	172.6	0	0	0	111.3	V112 C119 L124 L139 G150 A152 F174 R177 I179	V112-L115 HydrophobicContact CG1-CD2 3.88Å; V112-L115 HydrophobicContact CG1-CG 4.24Å; L115-C119 HydrophobicContact CB-CB 4.31Å; L115-L124 HydrophobicContact CD1-CD1 4.08Å; L115-L124 HydrophobicContact CD1-CD2 3.9Å; L115-L124 HydrophobicContact CD2-CD2 3.7Å; L115-L124 HydrophobicContact CG-CD2 4.47Å; L115-L139 HydrophobicContact CD1-CD1 4.02Å; L115-G150 PolarHBondContact N-O 2.8Å; L115-G150 WeakPolarHBondContact O-CA 3.35Å; L115-A152 HydrophobicContact CD1-CB 3.67Å; L115-F174 HydrophobicContact CD2-CD1 4.18Å; L115-F174 HydrophobicContact CD2-CE1 4.22Å; L115-R177 PolarHBondContact O-NE 3.43Å; L115-R177 PolarHBondContact O-NH1 3.14Å; L115-I179 HydrophobicContact CD2-CG2 3.79Å
116	S	93.1	Very high	91.7	Very high	25 Å²	25	56 Å²	56	18%	0.175	27%	0.273	C	S	.	.			trans	-64.4	148	169.7	-174.1	0	0	0	0	110.9	A118 C119	S116-A118 PolarHBondContact O-N 3.02Å; S116-C119 WeakPolarHBondContact O-CB 3.45Å; S116-C119 PolarHBondContact O-N 3.09Å
117	Y	91.3	Very high	91.8	Very high	137 Å²	137	50.4 Å²	50.4	54%	0.537	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.1	178.7	-59	-45.5	0	0	0	112.6	C119 S148	Y117-C119 VanDerWaalsContact C-N 3.29Å; Y117-S148 WeakPolarHBondContact CA-OG 3.27Å; Y117-S148 WeakPolarHBondContact CD1-O 3.3Å; Y117-S148 PolarHBondContact O-OG 3.1Å
118	A	89.3	Confident	92	Very high	71 Å²	71	49 Å²	49	59%	0.587	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	6.7	170.4	0	0	0	0	0	113.6	S116	S116-A118 PolarHBondContact O-N 3.02Å
119	C	89.7	Confident	91.9	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.027	26%	0.256	C	S	.	.			trans	-68.2	141	174.2	-170.7	0	0	0	0	110.3	L115 S116 Y117 L139 M175	L115-C119 HydrophobicContact CB-CB 4.31Å; S116-C119 WeakPolarHBondContact O-CB 3.45Å; S116-C119 PolarHBondContact O-N 3.09Å; Y117-C119 VanDerWaalsContact C-N 3.29Å; C119-L139 WeakPolarHBondContact O-CD2 2.89Å; C119-M175 HydrophobicContact CB-SD 3.81Å
120	T	88.3	Confident	92	Very high	52 Å²	52	56 Å²	56	32%	0.319	29%	0.285	S	S	.	.			trans	-118.1	163	176.4	66.9	0	0	0	0	109.9	Q122 H123 L124	T120-Q122 PolarHBondContact O-N 2.85Å; T120-H123 PolarHBondContact O-N 3.01Å; T120-H123 VanDerWaalsContact O-N 3.13Å; T120-H123 PolarHBondContact OG1-CD2 3.44Å; T120-H123 VanDerWaalsContact OG1-CG 3.31Å; T120-H123 PolarHBondContact OG1-N 2.88Å; T120-L124 PolarHBondContact O-N 3.38Å; T120-L124 VanDerWaalsContact O-N 3.16Å
121	E	85.6	Confident	91.8	Very high	38 Å²	38	57.1 Å²	57.1	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-30.8	177.1	-63.7	-173.7	146.8	0	0	111.9	L124 E125 I137 L139 S402	E121-L124 PolarHBondContact O-N 3.36Å; E121-E125 WeakPolarHBondContact O-CB 3.45Å; E121-E125 PolarHBondContact O-N 2.95Å; E121-I137 HydrophobicContact CB-CG2 3.98Å; E121-I137 HydrophobicContact CG-CG2 3.89Å; E121-L139 HydrophobicContact CG-CB 3.55Å; E121-L139 HydrophobicContact CG-CD2 4.25Å; E121-L139 PolarHBondContact OE1-N 3.34Å; E121-S402 VanDerWaalsContact CD-OG 3.29Å; E121-S402 PolarHBondContact OE1-OG 2.81Å; E121-S402 VanDerWaalsContact OE2-CB 3.29Å; E121-S402 WeakPolarHBondContact OE2-CB 3.48Å; E121-S402 PolarHBondContact OE2-OG 2.89Å
122	Q	85.4	Confident	91.5	Very high	142 Å²	142	55.7 Å²	55.7	66%	0.664	29%	0.288	S	S	*	.	H	α-helix	trans	-64.7	-38.6	172.1	-68.1	175	-23.2	0	0	113	T120 L124 E125 K126	T120-Q122 PolarHBondContact O-N 2.85Å; Q122-L124 VanDerWaalsContact C-N 3.34Å; Q122-E125 PolarHBondContact O-N 3.02Å; Q122-K126 PolarHBondContact O-N 3.01Å
123	H	91.2	Very high	91.1	Very high	81 Å²	81	58.3 Å²	58.3	38%	0.375	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-34.5	174.9	-64.4	-36.6	0	0	0	111.9	T120 L127 F174	T120-H123 PolarHBondContact O-N 3.01Å; T120-H123 VanDerWaalsContact O-N 3.13Å; T120-H123 PolarHBondContact OG1-CD2 3.44Å; T120-H123 VanDerWaalsContact OG1-CG 3.31Å; T120-H123 PolarHBondContact OG1-N 2.88Å; H123-L127 PolarHBondContact O-N 3.49Å; H123-F174 HydrophobicContact CB-CZ 4.07Å
124	L	92.2	Very high	90.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-39.8	171.9	-65.7	176.8	0	0	0	111.7	L115 T120 E121 Q122 L127 F128 I137 L139 A152 I154 F174	L115-L124 HydrophobicContact CD1-CD1 4.08Å; L115-L124 HydrophobicContact CD1-CD2 3.9Å; L115-L124 HydrophobicContact CD2-CD2 3.7Å; L115-L124 HydrophobicContact CG-CD2 4.47Å; T120-L124 PolarHBondContact O-N 3.38Å; T120-L124 VanDerWaalsContact O-N 3.16Å; E121-L124 PolarHBondContact O-N 3.36Å; Q122-L124 VanDerWaalsContact C-N 3.34Å; L124-L127 PolarHBondContact O-N 2.86Å; L124-F128 HydrophobicContact CD2-CE2 4.45Å; L124-F128 WeakPolarHBondContact O-CB 3.19Å; L124-F128 WeakPolarHBondContact O-CD2 3.44Å; L124-F128 PolarHBondContact O-N 2.84Å; L124-I137 HydrophobicContact CB-CG2 4.44Å; L124-I137 HydrophobicContact CD1-CG2 4.08Å; L124-L139 HydrophobicContact CD1-CB 4.41Å; L124-L139 HydrophobicContact CD1-CD1 4.44Å; L124-A152 HydrophobicContact CD1-CB 3.51Å; L124-I154 HydrophobicContact CB-CD1 4.18Å; L124-I154 HydrophobicContact CD1-CD1 4.46Å; L124-I154 HydrophobicContact CD2-CD1 4.43Å; L124-F174 HydrophobicContact CD2-CE1 4.31Å
125	E	89.9	Confident	90.2	Very high	64 Å²	64	52.4 Å²	52.4	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-51.9	176.1	178.7	153.9	-128.2	0	0	112.4	E121 Q122 L127 F128 S129 I137 R337	E121-E125 WeakPolarHBondContact O-CB 3.45Å; E121-E125 PolarHBondContact O-N 2.95Å; Q122-E125 PolarHBondContact O-N 3.02Å; E125-L127 PolarHBondContact O-N 3.38Å; E125-L127 VanDerWaalsContact O-N 3.1Å; E125-F128 PolarHBondContact O-N 3.1Å; E125-S129 WeakPolarHBondContact O-CB 3.39Å; E125-S129 PolarHBondContact O-N 2.86Å; E125-I137 HydrophobicContact CB-CD1 3.79Å; E125-R337 IonicContact OE1-CZ 2.66Å; E125-R337 IonicContact OE1-NH1 3.86Å; E125-R337 PolarHBondContact OE1-NH1 3Å; E125-R337 IonicContact OE1-NH2 3.62Å; E125-R337 PolarHBondContact OE1-NH2 3.21Å
126	K	91.4	Very high	89.6	Confident	142 Å²	142	54.2 Å²	54.2	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-54.4	-30.5	175.9	-77.7	-170.3	173.6	-171.9	0	111.8	Q122 E443	Q122-K126 PolarHBondContact O-N 3.01Å; K126-E443 IonicContact NZ-OE1 3.82Å; K126-E443 PolarHBondContact NZ-OE1 2.92Å
127	L	93.8	Very high	89.3	Confident	38 Å²	38	53.7 Å²	53.7	20%	0.199	29%	0.291	C	S	.	.	H	α-helix	trans	-80.8	-52.9	176.5	-177.4	67.4	0	0	0	113.4	H123 L124 E125 L169 F174 I179	H123-L127 PolarHBondContact O-N 3.49Å; L124-L127 PolarHBondContact O-N 2.86Å; E125-L127 PolarHBondContact O-N 3.38Å; E125-L127 VanDerWaalsContact O-N 3.1Å; L127-L169 HydrophobicContact CD1-CD2 3.95Å; L127-L169 HydrophobicContact CD2-CD1 4.44Å; L127-L169 HydrophobicContact CG-CD1 4.1Å; L127-L169 HydrophobicContact CG-CD2 4.29Å; L127-F174 HydrophobicContact CB-CE2 4.2Å; L127-F174 HydrophobicContact CD1-CD2 4.32Å; L127-F174 HydrophobicContact CD1-CE2 4.47Å; L127-F174 HydrophobicContact CD2-CD1 4.35Å; L127-F174 HydrophobicContact CD2-CD2 3.78Å; L127-F174 HydrophobicContact CD2-CE1 4.41Å; L127-F174 HydrophobicContact CD2-CE2 3.86Å; L127-F174 HydrophobicContact CD2-CG 4.01Å; L127-F174 HydrophobicContact CD2-CZ 4.17Å; L127-F174 HydrophobicContact CG-CE2 4.41Å; L127-I179 HydrophobicContact CD2-CD1 4.1Å
128	F	93.9	Very high	89.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-83.1	-24.7	-170.1	-80.2	-97.3	0	0	0	113.5	L110 V112 L124 E125 V130 H131 L134 I154 F156 A165 L169 I181	L110-F128 HydrophobicContact CD1-CD1 4.33Å; L110-F128 HydrophobicContact CD1-CE1 3.86Å; V112-F128 HydrophobicContact CG1-CZ 4.32Å; V112-F128 HydrophobicContact CG2-CE1 4.27Å; V112-F128 HydrophobicContact CG2-CE2 4.29Å; V112-F128 HydrophobicContact CG2-CZ 3.66Å; L124-F128 HydrophobicContact CD2-CE2 4.45Å; L124-F128 WeakPolarHBondContact O-CB 3.19Å; L124-F128 WeakPolarHBondContact O-CD2 3.44Å; L124-F128 PolarHBondContact O-N 2.84Å; E125-F128 PolarHBondContact O-N 3.1Å; F128-V130 PolarHBondContact O-N 3.36Å; F128-V130 VanDerWaalsContact O-N 3.11Å; F128-H131 PolarHBondContact O-N 3.29Å; F128-L134 HydrophobicContact CB-CD1 3.9Å; F128-L134 HydrophobicContact CB-CD2 3.86Å; F128-I154 HydrophobicContact CB-CD1 4.33Å; F128-I154 HydrophobicContact CB-CG2 4.48Å; F128-I154 HydrophobicContact CD1-CD1 3.99Å; F128-I154 HydrophobicContact CD1-CG2 4.46Å; F128-I154 HydrophobicContact CD2-CD1 3.32Å; F128-I154 HydrophobicContact CE1-CD1 4.12Å; F128-I154 HydrophobicContact CE2-CD1 3.45Å; F128-I154 VanDerWaalsContact CE2-CD1 3.45Å; F128-I154 HydrophobicContact CG-CD1 3.61Å; F128-I154 HydrophobicContact CG-CG2 4.47Å; F128-I154 HydrophobicContact CZ-CD1 3.87Å; F128-F156 HydrophobicContact CB-CZ 4.25Å; F128-F156 HydrophobicContact CD1-CE2 4.02Å; F128-F156 HydrophobicContact CD1-CZ 4.01Å; F128-A165 HydrophobicContact CD1-CB 4.02Å; F128-A165 HydrophobicContact CE1-CB 4.27Å; F128-L169 HydrophobicContact CD1-CD1 3.69Å; F128-L169 HydrophobicContact CD2-CD1 4.19Å; F128-L169 HydrophobicContact CE1-CD1 3.57Å; F128-L169 HydrophobicContact CE2-CD1 4.09Å; F128-L169 HydrophobicContact CG-CD1 4.01Å; F128-L169 HydrophobicContact CZ-CD1 3.77Å; F128-I181 HydrophobicContact CE1-CD1 3.96Å; F128-I181 HydrophobicContact CZ-CD1 3.85Å
129	S	90.7	Very high	89.1	Confident	56 Å²	56	46.8 Å²	46.8	39%	0.392	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.8	178.8	-169.8	0	0	0	0	113.9	E125 H131	E125-S129 WeakPolarHBondContact O-CB 3.39Å; E125-S129 PolarHBondContact O-N 2.86Å; S129-H131 VanDerWaalsContact C-N 3.26Å; S129-H131 PolarHBondContact O-N 3.05Å
130	V	93.5	Very high	89	Confident	109 Å²	109	46.9 Å²	46.9	66%	0.661	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-26.9	172.7	-178	0	0	0	0	111.7	F128	F128-V130 PolarHBondContact O-N 3.36Å; F128-V130 VanDerWaalsContact O-N 3.11Å
131	H	92.8	Very high	88.7	Confident	23 Å²	23	45.9 Å²	45.9	11%	0.106	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-31.7	-176.5	-64.7	-78.5	0	0	0	112.9	F128 S129 F156 K164 A165 S168	F128-H131 PolarHBondContact O-N 3.29Å; S129-H131 VanDerWaalsContact C-N 3.26Å; S129-H131 PolarHBondContact O-N 3.05Å; H131-F156 HydrophobicContact CB-CE1 4.33Å; H131-F156 HydrophobicContact CB-CZ 4.4Å; H131-K164 HydrophobicContact CB-CG 4.5Å; H131-K164 WeakPolarHBondContact O-CD 3.38Å; H131-K164 WeakPolarHBondContact O-CE 3.5Å; H131-K164 PolarHBondContact O-NZ 2.83Å; H131-A165 HydrophobicContact CB-CB 3.71Å; H131-S168 WeakPolarHBondContact CE1-CB 3.39Å
132	G	89.2	Confident	88.3	Confident	17 Å²	17	48 Å²	48	18%	0.175	25%	0.254	C	S	.	.	S	Bend	trans	169.7	-176.4	178.1	0	0	0	0	0	112.6	D161	G132-D161 WeakPolarHBondContact CA-OD2 3.06Å
133	S	87.7	Confident	87.4	Confident	56 Å²	56	44.7 Å²	44.7	39%	0.392	25%	0.245	S	C	.	.			trans	-76.8	125.6	-176.7	-57.9	0	0	0	0	112.1	L157	S133-L157 WeakPolarHBondContact O-CB 3.45Å; S133-L157 PolarHBondContact O-N 2.83Å
134	L	87.8	Confident	86.1	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.4	177.3	-30.7	174.4	0	0	0	110.3	F128 I137 I154 T155 F156 R337	F128-L134 HydrophobicContact CB-CD1 3.9Å; F128-L134 HydrophobicContact CB-CD2 3.86Å; L134-I137 HydrophobicContact CD1-CD1 3.77Å; L134-I137 HydrophobicContact CD1-CG1 4.08Å; L134-I154 HydrophobicContact CB-CG2 4.5Å; L134-I154 HydrophobicContact CD1-CG2 4.15Å; L134-I154 HydrophobicContact CD2-CG2 4.05Å; L134-I154 HydrophobicContact CG-CG2 4.46Å; L134-T155 CarbonylContact C-O 3.57Å; L134-T155 WeakPolarHBondContact CA-O 3.35Å; L134-F156 HydrophobicContact CD2-CD1 3.71Å; L134-F156 HydrophobicContact CD2-CD2 4.2Å; L134-F156 HydrophobicContact CD2-CE1 3.28Å; L134-F156 HydrophobicContact CD2-CE2 3.79Å; L134-F156 HydrophobicContact CD2-CG 4.17Å; L134-F156 HydrophobicContact CD2-CZ 3.32Å; L134-R337 PolarHBondContact O-NE 3.44Å; L134-R337 PolarHBondContact O-NH2 3.03Å
135	S	82.9	Confident	85.2	Confident	43 Å²	43	52 Å²	52	30%	0.301	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-34	176.4	55.8	0	0	0	0	112.7	T155 F156	S135-T155 PolarHBondContact N-O 3.09Å; S135-T155 WeakPolarHBondContact OG-CB 3.31Å; S135-T155 WeakPolarHBondContact OG-CG2 3.46Å; S135-T155 PolarHBondContact OG-O 2.88Å; S135-T155 VanDerWaalsContact OG-O 3.1Å; S135-F156 VanDerWaalsContact OG-C 3.26Å; S135-F156 PolarHBondContact OG-O 3.37Å
136	D	81.9	Confident	84.2	Confident	37 Å²	37	51.8 Å²	51.8	20%	0.198	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	148.1	172.4	-169.7	28.9	0	0	0	113.2	T155 R406	D136-T155 PolarHBondContact N-O 3.16Å; D136-T155 PolarHBondContact O-N 2.84Å; D136-R406 VanDerWaalsContact CG-NH1 3.33Å; D136-R406 IonicContact OD1-CZ 2.75Å; D136-R406 IonicContact OD1-NH1 2.76Å; D136-R406 PolarHBondContact OD1-NH1 2.82Å; D136-R406 IonicContact OD1-NH2 3.68Å; D136-R406 PolarHBondContact OD1-NH2 2.85Å; D136-R406 IonicContact OD2-NH1 2.67Å; D136-R406 PolarHBondContact OD2-NH1 2.77Å
137	I	87.5	Confident	83.7	Confident	15 Å²	15	48.5 Å²	48.5	8%	0.077	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.1	168.4	-55.4	177.9	0	0	0	108.4	E121 L124 E125 L134 R406	E121-I137 HydrophobicContact CB-CG2 3.98Å; E121-I137 HydrophobicContact CG-CG2 3.89Å; L124-I137 HydrophobicContact CB-CG2 4.44Å; L124-I137 HydrophobicContact CD1-CG2 4.08Å; E125-I137 HydrophobicContact CB-CD1 3.79Å; L134-I137 HydrophobicContact CD1-CD1 3.77Å; L134-I137 HydrophobicContact CD1-CG1 4.08Å; I137-R406 PolarHBondContact O-NH1 2.86Å
138	H	86.9	Confident	83.3	Confident	62 Å²	62	46.9 Å²	46.9	29%	0.287	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	88.4	177.9	-177.9	104.3	0	0	0	109.6	A152 F153 Q403	H138-A152 CarbonylContact O-C 3.52Å; H138-A152 VanDerWaalsContact O-CA 3.24Å; H138-A152 WeakPolarHBondContact O-CA 3.47Å; H138-F153 HydrophobicContact CB-CB 4.39Å; H138-F153 AromaticContact CD2-CD2 3.92Å; H138-F153 PolarHBondContact N-O 2.76Å; H138-F153 PolarHBondContact O-N 2.96Å; H138-Q403 PolarHBondContact CD2-NE2 2.91Å; H138-Q403 PolarHBondContact CE1-NE2 2.92Å; H138-Q403 PolarHBondContact ND1-NE2 2.97Å; H138-Q403 PolarHBondContact NE2-NE2 3.11Å
139	L	88.9	Confident	83.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.9	172.2	174.2	64.4	0	0	0	109.5	L115 C119 E121 L124 F141 A152 Q403	L115-L139 HydrophobicContact CD1-CD1 4.02Å; C119-L139 WeakPolarHBondContact O-CD2 2.89Å; E121-L139 HydrophobicContact CG-CB 3.55Å; E121-L139 HydrophobicContact CG-CD2 4.25Å; E121-L139 PolarHBondContact OE1-N 3.34Å; L124-L139 HydrophobicContact CD1-CB 4.41Å; L124-L139 HydrophobicContact CD1-CD1 4.44Å; L139-F141 HydrophobicContact CB-CE2 4.17Å; L139-F141 HydrophobicContact CD2-CE1 4.49Å; L139-F141 HydrophobicContact CD2-CE2 3.95Å; L139-F141 HydrophobicContact CD2-CZ 3.63Å; L139-F141 HydrophobicContact CG-CE2 3.9Å; L139-F141 HydrophobicContact CG-CZ 4.02Å; L139-F141 WeakPolarHBondContact O-CD2 3.14Å; L139-F141 VanDerWaalsContact O-CE2 3.28Å; L139-F141 WeakPolarHBondContact O-CE2 3.47Å; L139-A152 HydrophobicContact CB-CB 4.31Å; L139-A152 HydrophobicContact CD1-CB 4.1Å; L139-Q403 PolarHBondContact O-NE2 3.19Å; L139-Q403 PolarHBondContact O-OE1 2.99Å
140	A	87.6	Confident	83.1	Confident	7 Å²	7	48.9 Å²	48.9	6%	0.058	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.5	-171.7	0	0	0	0	0	112.5	K149 F151	A140-K149 HydrophobicContact CB-CD 4.36Å; A140-K149 WeakPolarHBondContact O-CB 3.42Å; A140-K149 PolarHBondContact O-N 3.06Å; A140-F151 HydrophobicContact CB-CD2 3.72Å; A140-F151 HydrophobicContact CB-CE1 4.3Å; A140-F151 HydrophobicContact CB-CE2 3.26Å; A140-F151 HydrophobicContact CB-CG 4.43Å; A140-F151 HydrophobicContact CB-CZ 3.59Å; A140-F151 PolarHBondContact N-O 2.94Å
141	F	82.1	Confident	83.2	Confident	31 Å²	31	46.6 Å²	46.6	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	159.4	176.8	-68.9	-89.6	0	0	0	113.2	L139 Q146 K149 H401 Q403	L139-F141 HydrophobicContact CB-CE2 4.17Å; L139-F141 HydrophobicContact CD2-CE1 4.49Å; L139-F141 HydrophobicContact CD2-CE2 3.95Å; L139-F141 HydrophobicContact CD2-CZ 3.63Å; L139-F141 HydrophobicContact CG-CE2 3.9Å; L139-F141 HydrophobicContact CG-CZ 4.02Å; L139-F141 WeakPolarHBondContact O-CD2 3.14Å; L139-F141 VanDerWaalsContact O-CE2 3.28Å; L139-F141 WeakPolarHBondContact O-CE2 3.47Å; F141-Q146 VanDerWaalsContact CD1-O 3.25Å; F141-Q146 WeakPolarHBondContact CD1-O 3.49Å; F141-K149 WeakPolarHBondContact O-CE 3.13Å; F141-K149 PolarHBondContact O-NZ 3.46Å; F141-H401 AromaticContact CE1-CE1 3.88Å; F141-H401 AromaticContact CE1-ND1 3.68Å; F141-H401 AromaticContact CE2-ND1 3.87Å; F141-H401 AromaticContact CZ-ND1 3.61Å; F141-Q403 HydrophobicContact CD2-CG 4.13Å
142	E	77.5	Confident	83.2	Confident	82 Å²	82	45.5 Å²	45.5	38%	0.383	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-80.6	127.7	165.4	175.9	166.8	-122.5	0	0	111.1	W144 S145 Q146 V147	E142-W144 HydrophobicContact CG-CE3 4.24Å; E142-W144 PolarHBondContact O-N 3.44Å; E142-W144 VanDerWaalsContact O-N 3.14Å; E142-S145 WeakPolarHBondContact CB-OG 3.5Å; E142-S145 WeakPolarHBondContact OE2-CB 3.33Å; E142-S145 PolarHBondContact OE2-OG 3.36Å; E142-Q146 WeakPolarHBondContact O-CA 3.29Å; E142-Q146 PolarHBondContact O-N 3.06Å; E142-V147 PolarHBondContact N-O 2.82Å
143	P	65.8	Low	83.4	Confident	73 Å²	73	46.9 Å²	46.9	47%	0.474	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.7	-174.2	-27.3	35.9	0	0	0	115.8	Q146	P143-Q146 PolarHBondContact O-NE2 3.21Å
144	W	63.5	Low	83.7	Confident	181 Å²	181	44.2 Å²	44.2	69%	0.686	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-46.9	-175.3	-60	-75.1	0	0	0	113.3	E142	E142-W144 HydrophobicContact CG-CE3 4.24Å; E142-W144 PolarHBondContact O-N 3.44Å; E142-W144 VanDerWaalsContact O-N 3.14Å
145	S	73.1	Confident	83.8	Confident	54 Å²	54	45.3 Å²	45.3	38%	0.378	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-18	-177.7	65.8	0	0	0	0	114	E142 V147	E142-S145 WeakPolarHBondContact CB-OG 3.5Å; E142-S145 WeakPolarHBondContact OE2-CB 3.33Å; E142-S145 PolarHBondContact OE2-OG 3.36Å; S145-V147 PolarHBondContact O-N 2.95Å; S145-V147 VanDerWaalsContact O-N 3.12Å; S145-V147 PolarHBondContact OG-N 2.95Å
146	Q	68.8	Low	84.2	Confident	59 Å²	59	43.6 Å²	43.6	28%	0.276	22%	0.216	S	C	.	.			trans	54.9	18.5	-168.4	-57.4	-59.1	-53.3	0	0	114.3	F141 E142 P143 H401 Q404	F141-Q146 VanDerWaalsContact CD1-O 3.25Å; F141-Q146 WeakPolarHBondContact CD1-O 3.49Å; E142-Q146 WeakPolarHBondContact O-CA 3.29Å; E142-Q146 PolarHBondContact O-N 3.06Å; P143-Q146 PolarHBondContact O-NE2 3.21Å; Q146-H401 PolarHBondContact OE1-CD2 3.37Å; Q146-H401 VanDerWaalsContact OE1-CD2 3.3Å; Q146-Q404 VanDerWaalsContact CD-NE2 3.26Å
147	V	80.8	Confident	84.4	Confident	72 Å²	72	44.1 Å²	44.1	44%	0.436	22%	0.218	S	C	.	.			trans	-80.1	143.1	169.1	-177.4	0	0	0	0	109.1	E142 S145	E142-V147 PolarHBondContact N-O 2.82Å; S145-V147 PolarHBondContact O-N 2.95Å; S145-V147 VanDerWaalsContact O-N 3.12Å; S145-V147 PolarHBondContact OG-N 2.95Å
148	S	86.2	Confident	84.6	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.028	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	144.3	176.2	76	0	0	0	0	110.9	Y117 G150	Y117-S148 WeakPolarHBondContact CA-OG 3.27Å; Y117-S148 WeakPolarHBondContact CD1-O 3.3Å; Y117-S148 PolarHBondContact O-OG 3.1Å; S148-G150 PolarHBondContact O-N 2.83Å
149	K	90.2	Very high	84.9	Confident	95 Å²	95	46.9 Å²	46.9	41%	0.413	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	8.2	-178.1	-71.5	170.2	169.4	146.9	0	113.7	A140 F141 F151	A140-K149 HydrophobicContact CB-CD 4.36Å; A140-K149 WeakPolarHBondContact O-CB 3.42Å; A140-K149 PolarHBondContact O-N 3.06Å; F141-K149 WeakPolarHBondContact O-CE 3.13Å; F141-K149 PolarHBondContact O-NZ 3.46Å; K149-F151 VanDerWaalsContact C-N 3.26Å; K149-F151 HydrophobicContact CB-CD1 3.7Å; K149-F151 HydrophobicContact CB-CE1 3.52Å; K149-F151 HydrophobicContact CB-CZ 4.34Å; K149-F151 HydrophobicContact CD-CE1 3.9Å; K149-F151 HydrophobicContact CD-CZ 4.11Å; K149-F151 HydrophobicContact CG-CE1 4.33Å; K149-F151 PolarHBondContact O-N 3.33Å
150	G	91.3	Very high	85.2	Confident	4 Å²	4	50 Å²	50	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.2	22.5	-175.7	0	0	0	0	0	114.2	N114 L115 S148	N114-G150 PolarHBondContact N-O 2.84Å; L115-G150 PolarHBondContact N-O 2.8Å; L115-G150 WeakPolarHBondContact O-CA 3.35Å; S148-G150 PolarHBondContact O-N 2.83Å
151	F	94.3	Very high	85.5	Confident	60 Å²	60	51 Å²	51	26%	0.263	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.1	171.2	71.2	-99.7	0	0	0	112.6	F111 V112 R113 A140 K149 F153	F111-F151 HydrophobicContact CD2-CD2 4.42Å; F111-F151 HydrophobicContact CE2-CB 4.04Å; F111-F151 AromaticContact CE2-CD2 3.48Å; F111-F151 HydrophobicContact CE2-CD2 3.48Å; F111-F151 VanDerWaalsContact CE2-CD2 3.48Å; F111-F151 HydrophobicContact CE2-CE2 4.09Å; F111-F151 AromaticContact CE2-CG 3.93Å; F111-F151 HydrophobicContact CE2-CG 3.93Å; F111-F151 HydrophobicContact CZ-CB 4.18Å; F111-F151 HydrophobicContact CZ-CD2 4.18Å; F111-F151 HydrophobicContact CZ-CG 4.21Å; V112-F151 CarbonylContact O-C 3.55Å; V112-F151 WeakPolarHBondContact O-CA 3.45Å; V112-F151 WeakPolarHBondContact O-CB 3.47Å; R113-F151 HydrophobicContact CB-CB 4.26Å; A140-F151 HydrophobicContact CB-CD2 3.72Å; A140-F151 HydrophobicContact CB-CE1 4.3Å; A140-F151 HydrophobicContact CB-CE2 3.26Å; A140-F151 HydrophobicContact CB-CG 4.43Å; A140-F151 HydrophobicContact CB-CZ 3.59Å; A140-F151 PolarHBondContact N-O 2.94Å; K149-F151 VanDerWaalsContact C-N 3.26Å; K149-F151 HydrophobicContact CB-CD1 3.7Å; K149-F151 HydrophobicContact CB-CE1 3.52Å; K149-F151 HydrophobicContact CB-CZ 4.34Å; K149-F151 HydrophobicContact CD-CE1 3.9Å; K149-F151 HydrophobicContact CD-CZ 4.11Å; K149-F151 HydrophobicContact CG-CE1 4.33Å; K149-F151 PolarHBondContact O-N 3.33Å; F151-F153 HydrophobicContact CD2-CE2 4.38Å; F151-F153 HydrophobicContact CE2-CE2 4.09Å
152	A	93.9	Very high	86.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.3	177.5	0	0	0	0	0	111.2	V112 L115 L124 H138 L139	V112-A152 PolarHBondContact N-O 3.05Å; V112-A152 PolarHBondContact O-N 3.14Å; L115-A152 HydrophobicContact CD1-CB 3.67Å; L124-A152 HydrophobicContact CD1-CB 3.51Å; H138-A152 CarbonylContact O-C 3.52Å; H138-A152 VanDerWaalsContact O-CA 3.24Å; H138-A152 WeakPolarHBondContact O-CA 3.47Å; L139-A152 HydrophobicContact CB-CB 4.31Å; L139-A152 HydrophobicContact CD1-CB 4.1Å
153	F	93.4	Very high	87	Confident	46 Å²	46	46.3 Å²	46.3	20%	0.202	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.6	160.9	-58.3	-96.8	0	0	0	109	L110 F111 H138 F151	L110-F153 CarbonylContact O-C 3.53Å; L110-F153 VanDerWaalsContact O-CA 3.28Å; L110-F153 WeakPolarHBondContact O-CA 3.4Å; F111-F153 HydrophobicContact CB-CD1 4.16Å; F111-F153 HydrophobicContact CB-CE1 4.16Å; F111-F153 AromaticContact CD2-CD1 3.84Å; F111-F153 HydrophobicContact CD2-CD1 3.84Å; F111-F153 HydrophobicContact CD2-CD2 4.49Å; F111-F153 AromaticContact CD2-CE1 3.43Å; F111-F153 HydrophobicContact CD2-CE1 3.43Å; F111-F153 VanDerWaalsContact CD2-CE1 3.43Å; F111-F153 HydrophobicContact CD2-CE2 4.15Å; F111-F153 HydrophobicContact CD2-CG 4.36Å; F111-F153 AromaticContact CD2-CZ 3.61Å; F111-F153 HydrophobicContact CD2-CZ 3.61Å; F111-F153 HydrophobicContact CE2-CE1 4.18Å; F111-F153 HydrophobicContact CE2-CE2 4.3Å; F111-F153 AromaticContact CE2-CZ 3.89Å; F111-F153 HydrophobicContact CE2-CZ 3.89Å; F111-F153 HydrophobicContact CG-CD1 4.48Å; F111-F153 HydrophobicContact CG-CE1 4.15Å; H138-F153 HydrophobicContact CB-CB 4.39Å; H138-F153 AromaticContact CD2-CD2 3.92Å; H138-F153 PolarHBondContact N-O 2.76Å; H138-F153 PolarHBondContact O-N 2.96Å; F151-F153 HydrophobicContact CD2-CE2 4.38Å; F151-F153 HydrophobicContact CE2-CE2 4.09Å
154	I	93.1	Very high	88.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118.6	176.5	-58.7	179.1	0	0	0	107	L110 V112 L124 F128 L134 F156	L110-I154 PolarHBondContact N-O 3.07Å; L110-I154 PolarHBondContact O-N 2.89Å; V112-I154 HydrophobicContact CG2-CD1 4.05Å; V112-I154 HydrophobicContact CG2-CG1 4.39Å; L124-I154 HydrophobicContact CB-CD1 4.18Å; L124-I154 HydrophobicContact CD1-CD1 4.46Å; L124-I154 HydrophobicContact CD2-CD1 4.43Å; F128-I154 HydrophobicContact CB-CD1 4.33Å; F128-I154 HydrophobicContact CB-CG2 4.48Å; F128-I154 HydrophobicContact CD1-CD1 3.99Å; F128-I154 HydrophobicContact CD1-CG2 4.46Å; F128-I154 HydrophobicContact CD2-CD1 3.32Å; F128-I154 HydrophobicContact CE1-CD1 4.12Å; F128-I154 HydrophobicContact CE2-CD1 3.45Å; F128-I154 VanDerWaalsContact CE2-CD1 3.45Å; F128-I154 HydrophobicContact CG-CD1 3.61Å; F128-I154 HydrophobicContact CG-CG2 4.47Å; F128-I154 HydrophobicContact CZ-CD1 3.87Å; L134-I154 HydrophobicContact CB-CG2 4.5Å; L134-I154 HydrophobicContact CD1-CG2 4.15Å; L134-I154 HydrophobicContact CD2-CG2 4.05Å; L134-I154 HydrophobicContact CG-CG2 4.46Å; I154-F156 HydrophobicContact CG2-CD2 4.4Å; I154-F156 HydrophobicContact CG2-CE2 4.08Å
155	T	90.9	Very high	90	Very high	27 Å²	27	39.5 Å²	39.5	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.5	177.9	-37.4	0	0	0	0	107.3	R109 L134 S135 D136	R109-T155 HydrophobicContact CB-CG2 4.18Å; R109-T155 HydrophobicContact CG-CG2 4.23Å; R109-T155 PolarHBondContact NE-OG1 3.37Å; L134-T155 CarbonylContact C-O 3.57Å; L134-T155 WeakPolarHBondContact CA-O 3.35Å; S135-T155 PolarHBondContact N-O 3.09Å; S135-T155 WeakPolarHBondContact OG-CB 3.31Å; S135-T155 WeakPolarHBondContact OG-CG2 3.46Å; S135-T155 PolarHBondContact OG-O 2.88Å; S135-T155 VanDerWaalsContact OG-O 3.1Å; D136-T155 PolarHBondContact N-O 3.16Å; D136-T155 PolarHBondContact O-N 2.84Å
156	F	91.5	Very high	91.1	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	161.8	171.1	-80.9	-101.6	0	0	0	110.5	G108 L110 F128 H131 L134 S135 I154 F158 D161 A162 A165	G108-F156 PolarHBondContact O-N 2.99Å; L110-F156 HydrophobicContact CD1-CD2 4.34Å; L110-F156 HydrophobicContact CD1-CE2 3.8Å; L110-F156 HydrophobicContact CG-CE2 4.49Å; F128-F156 HydrophobicContact CB-CZ 4.25Å; F128-F156 HydrophobicContact CD1-CE2 4.02Å; F128-F156 HydrophobicContact CD1-CZ 4.01Å; H131-F156 HydrophobicContact CB-CE1 4.33Å; H131-F156 HydrophobicContact CB-CZ 4.4Å; L134-F156 HydrophobicContact CD2-CD1 3.71Å; L134-F156 HydrophobicContact CD2-CD2 4.2Å; L134-F156 HydrophobicContact CD2-CE1 3.28Å; L134-F156 HydrophobicContact CD2-CE2 3.79Å; L134-F156 HydrophobicContact CD2-CG 4.17Å; L134-F156 HydrophobicContact CD2-CZ 3.32Å; S135-F156 VanDerWaalsContact OG-C 3.26Å; S135-F156 PolarHBondContact OG-O 3.37Å; I154-F156 HydrophobicContact CG2-CD2 4.4Å; I154-F156 HydrophobicContact CG2-CE2 4.08Å; F156-F158 WeakPolarHBondContact CB-O 3.48Å; F156-D161 HydrophobicContact CB-CB 4.47Å; F156-D161 HydrophobicContact CD1-CB 3.38Å; F156-D161 HydrophobicContact CE1-CB 3.86Å; F156-D161 HydrophobicContact CG-CB 4.15Å; F156-A162 HydrophobicContact CB-CB 4.03Å; F156-A162 HydrophobicContact CD2-CB 3.63Å; F156-A162 HydrophobicContact CE2-CB 4.38Å; F156-A162 HydrophobicContact CG-CB 3.96Å; F156-A165 HydrophobicContact CE1-CB 4.39Å; F156-A165 HydrophobicContact CE2-CB 3.84Å; F156-A165 HydrophobicContact CZ-CB 3.5Å; F156-A165 VanDerWaalsContact CZ-CB 3.5Å
157	L	86.1	Confident	92.4	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.257	21%	0.212	S	C	.	.	S	Bend	trans	-75	-42.5	168.4	173.5	56	0	0	0	111.2	S133 R333	S133-L157 WeakPolarHBondContact O-CB 3.45Å; S133-L157 PolarHBondContact O-N 2.83Å; L157-R333 HydrophobicContact CD1-CG 3.57Å; L157-R333 HydrophobicContact CD2-CB 3.9Å; L157-R333 HydrophobicContact CD2-CG 3.72Å; L157-R333 HydrophobicContact CG-CG 4.29Å
158	F	91.1	Very high	93.1	Very high	88 Å²	88	42.1 Å²	42.1	39%	0.386	21%	0.213	S	C	.	.	S	Bend	trans	-110.7	123.6	176.6	-56	-69.4	0	0	0	109.5	F156 S160 D161 A162	F156-F158 WeakPolarHBondContact CB-O 3.48Å; F158-S160 WeakPolarHBondContact CB-OG 3.3Å; F158-S160 PolarHBondContact O-N 2.84Å; F158-D161 WeakPolarHBondContact O-CB 3.36Å; F158-D161 PolarHBondContact O-N 2.79Å; F158-A162 PolarHBondContact O-N 3.03Å
159	P	93.5	Very high	93.5	Very high	47 Å²	47	42.6 Å²	42.6	31%	0.305	22%	0.215	S	C	.	.	H	α-helix	trans	-61.6	-23.5	179.4	-25.4	34.6	0	0	0	114.3	L105 D161 A162 V163	L105-P159 HydrophobicContact CD2-CB 4.36Å; L105-P159 WeakPolarHBondContact O-CB 3.48Å; P159-D161 PolarHBondContact O-N 2.9Å; P159-A162 PolarHBondContact O-N 2.88Å; P159-V163 PolarHBondContact O-N 3.09Å; P159-V163 VanDerWaalsContact O-N 3.14Å
160	S	94.1	Very high	93.8	Very high	65 Å²	65	39.2 Å²	39.2	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-52.3	-41.9	167.7	49.3	0	0	0	0	112.6	F158 V163 K164	F158-S160 WeakPolarHBondContact CB-OG 3.3Å; F158-S160 PolarHBondContact O-N 2.84Å; S160-V163 PolarHBondContact O-N 2.65Å; S160-K164 PolarHBondContact O-N 3.08Å
161	D	95.2	Very high	93.8	Very high	29 Å²	29	45.3 Å²	45.3	16%	0.155	23%	0.227	C	C	.	.	H	α-helix	trans	-78.6	-32	-172.5	-58.6	4.8	0	0	0	110	G132 F156 F158 P159 K164 A165	G132-D161 WeakPolarHBondContact CA-OD2 3.06Å; F156-D161 HydrophobicContact CB-CB 4.47Å; F156-D161 HydrophobicContact CD1-CB 3.38Å; F156-D161 HydrophobicContact CE1-CB 3.86Å; F156-D161 HydrophobicContact CG-CB 4.15Å; F158-D161 WeakPolarHBondContact O-CB 3.36Å; F158-D161 PolarHBondContact O-N 2.79Å; P159-D161 PolarHBondContact O-N 2.9Å; D161-K164 PolarHBondContact O-N 3.48Å; D161-A165 WeakPolarHBondContact O-CB 3.26Å; D161-A165 PolarHBondContact O-N 3.33Å
162	A	94.8	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-41.2	168.6	0	0	0	0	0	111.8	I104 L110 F156 F158 P159 A165 Y166	I104-A162 HydrophobicContact CG2-CB 3.5Å; L110-A162 HydrophobicContact CD2-CB 4.1Å; L110-A162 HydrophobicContact CG-CB 4.15Å; F156-A162 HydrophobicContact CB-CB 4.03Å; F156-A162 HydrophobicContact CD2-CB 3.63Å; F156-A162 HydrophobicContact CE2-CB 4.38Å; F156-A162 HydrophobicContact CG-CB 3.96Å; F158-A162 PolarHBondContact O-N 3.03Å; P159-A162 PolarHBondContact O-N 2.88Å; A162-A165 PolarHBondContact O-N 3.05Å; A162-Y166 VanDerWaalsContact O-CB 3.29Å; A162-Y166 WeakPolarHBondContact O-CB 3.33Å; A162-Y166 PolarHBondContact O-N 3.36Å
163	V	95.9	Very high	93.9	Very high	14 Å²	14	53.2 Å²	53.2	9%	0.085	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-40.7	173.9	174.5	0	0	0	0	111.7	V101 I104 L105 P159 S160 Y166 K167	V101-V163 HydrophobicContact CG1-CG1 3.94Å; V101-V163 HydrophobicContact CG1-CG2 4.06Å; V101-V163 HydrophobicContact CG2-CG1 4.25Å; I104-V163 HydrophobicContact CB-CG2 4.14Å; I104-V163 HydrophobicContact CG2-CG2 3.68Å; L105-V163 HydrophobicContact CD2-CG2 3.59Å; L105-V163 HydrophobicContact CG-CG2 3.68Å; P159-V163 PolarHBondContact O-N 3.09Å; P159-V163 VanDerWaalsContact O-N 3.14Å; S160-V163 PolarHBondContact O-N 2.65Å; V163-Y166 PolarHBondContact O-N 3.22Å; V163-K167 HydrophobicContact CG1-CD 4.07Å; V163-K167 HydrophobicContact CG1-CG 4.45Å; V163-K167 WeakPolarHBondContact O-CB 3.32Å; V163-K167 WeakPolarHBondContact O-CG 3.5Å; V163-K167 PolarHBondContact O-N 2.97Å
164	K	95.7	Very high	93.9	Very high	110 Å²	110	52.7 Å²	52.7	48%	0.478	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.1	-178.5	-178.8	166.8	-159.4	0	111.2	H131 S160 D161 K167 S168	H131-K164 HydrophobicContact CB-CG 4.5Å; H131-K164 WeakPolarHBondContact O-CD 3.38Å; H131-K164 WeakPolarHBondContact O-CE 3.5Å; H131-K164 PolarHBondContact O-NZ 2.83Å; S160-K164 PolarHBondContact O-N 3.08Å; D161-K164 PolarHBondContact O-N 3.48Å; K164-K167 PolarHBondContact O-N 3.14Å; K164-S168 PolarHBondContact O-N 2.91Å; K164-S168 PolarHBondContact O-OG 3.16Å
165	A	96.1	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-44.7	175.1	0	0	0	0	0	112.2	L110 F128 H131 F156 D161 A162 K167 S168 L169	L110-A165 HydrophobicContact CD1-CB 4.04Å; F128-A165 HydrophobicContact CD1-CB 4.02Å; F128-A165 HydrophobicContact CE1-CB 4.27Å; H131-A165 HydrophobicContact CB-CB 3.71Å; F156-A165 HydrophobicContact CE1-CB 4.39Å; F156-A165 HydrophobicContact CE2-CB 3.84Å; F156-A165 HydrophobicContact CZ-CB 3.5Å; F156-A165 VanDerWaalsContact CZ-CB 3.5Å; D161-A165 WeakPolarHBondContact O-CB 3.26Å; D161-A165 PolarHBondContact O-N 3.33Å; A162-A165 PolarHBondContact O-N 3.05Å; A165-K167 PolarHBondContact O-N 2.93Å; A165-S168 PolarHBondContact O-N 3.17Å; A165-L169 VanDerWaalsContact O-CB 3.27Å; A165-L169 WeakPolarHBondContact O-CB 3.24Å; A165-L169 PolarHBondContact O-N 3.41Å
166	Y	96.5	Very high	93.7	Very high	20 Å²	20	62.9 Å²	62.9	8%	0.078	32%	0.315	C	S	.	.	H	α-helix	trans	-56.2	-50.1	175.7	171	-126.5	0	0	0	112.1	T100 V101 I104 A162 V163 S168 D170 I181	T100-Y166 PolarHBondContact OG1-OH 2.83Å; V101-Y166 HydrophobicContact CG2-CD1 4.17Å; V101-Y166 HydrophobicContact CG2-CE1 4.04Å; I104-Y166 HydrophobicContact CD1-CD1 3.46Å; I104-Y166 VanDerWaalsContact CD1-CD1 3.46Å; I104-Y166 HydrophobicContact CD1-CD2 4.04Å; I104-Y166 HydrophobicContact CD1-CE1 3.94Å; I104-Y166 HydrophobicContact CD1-CE2 4.48Å; I104-Y166 HydrophobicContact CD1-CG 3.5Å; A162-Y166 VanDerWaalsContact O-CB 3.29Å; A162-Y166 WeakPolarHBondContact O-CB 3.33Å; A162-Y166 PolarHBondContact O-N 3.36Å; V163-Y166 PolarHBondContact O-N 3.22Å; Y166-S168 VanDerWaalsContact C-N 3.29Å; Y166-S168 PolarHBondContact O-N 2.92Å; Y166-D170 HydrophobicContact CD2-CB 4.06Å; Y166-D170 HydrophobicContact CE2-CB 4.06Å; Y166-D170 VanDerWaalsContact O-CB 3.31Å; Y166-D170 WeakPolarHBondContact O-CB 3.5Å; Y166-D170 PolarHBondContact O-N 3.08Å; Y166-D170 VanDerWaalsContact O-N 3.15Å; Y166-I181 HydrophobicContact CD2-CB 3.89Å; Y166-I181 HydrophobicContact CD2-CG2 3.7Å; Y166-I181 HydrophobicContact CE2-CB 4.43Å; Y166-I181 HydrophobicContact CG-CG2 4.49Å
167	K	95.5	Very high	93.8	Very high	154 Å²	154	65.7 Å²	65.7	67%	0.67	33%	0.326	S	S	*	.	H	α-helix	trans	-63.9	-29.6	-179.7	-73.4	177.3	178.1	-177.8	0	113.7	V163 K164 A165	V163-K167 HydrophobicContact CG1-CD 4.07Å; V163-K167 HydrophobicContact CG1-CG 4.45Å; V163-K167 WeakPolarHBondContact O-CB 3.32Å; V163-K167 WeakPolarHBondContact O-CG 3.5Å; V163-K167 PolarHBondContact O-N 2.97Å; K164-K167 PolarHBondContact O-N 3.14Å; A165-K167 PolarHBondContact O-N 2.93Å
168	S	95.7	Very high	94.2	Very high	67 Å²	67	67.9 Å²	67.9	47%	0.469	34%	0.337	S	S	.	.	H	α-helix	trans	-94.7	-30.4	-178.7	-64.2	0	0	0	0	114.8	H131 K164 A165 Y166 T172	H131-S168 WeakPolarHBondContact CE1-CB 3.39Å; K164-S168 PolarHBondContact O-N 2.91Å; K164-S168 PolarHBondContact O-OG 3.16Å; A165-S168 PolarHBondContact O-N 3.17Å; Y166-S168 VanDerWaalsContact C-N 3.29Å; Y166-S168 PolarHBondContact O-N 2.92Å; S168-T172 VanDerWaalsContact O-CG2 3.31Å; S168-T172 WeakPolarHBondContact O-CG2 3.21Å
169	L	95.7	Very high	94.4	Very high	13 Å²	13	63.8 Å²	63.8	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-108.1	-16.4	-169.9	-64.1	177.2	0	0	0	114.4	L127 F128 A165 K171 T172 I179 I181	L127-L169 HydrophobicContact CD1-CD2 3.95Å; L127-L169 HydrophobicContact CD2-CD1 4.44Å; L127-L169 HydrophobicContact CG-CD1 4.1Å; L127-L169 HydrophobicContact CG-CD2 4.29Å; F128-L169 HydrophobicContact CD1-CD1 3.69Å; F128-L169 HydrophobicContact CD2-CD1 4.19Å; F128-L169 HydrophobicContact CE1-CD1 3.57Å; F128-L169 HydrophobicContact CE2-CD1 4.09Å; F128-L169 HydrophobicContact CG-CD1 4.01Å; F128-L169 HydrophobicContact CZ-CD1 3.77Å; A165-L169 VanDerWaalsContact O-CB 3.27Å; A165-L169 WeakPolarHBondContact O-CB 3.24Å; A165-L169 PolarHBondContact O-N 3.41Å; L169-K171 PolarHBondContact O-N 3.36Å; L169-T172 WeakPolarHBondContact O-CB 3.08Å; L169-T172 WeakPolarHBondContact O-CG2 2.99Å; L169-T172 PolarHBondContact O-N 2.95Å; L169-T172 PolarHBondContact O-OG1 3.08Å; L169-I179 HydrophobicContact CB-CD1 4.32Å; L169-I179 WeakPolarHBondContact O-CG1 3.34Å; L169-I181 HydrophobicContact CB-CD1 3.59Å
170	D	94.8	Very high	94.5	Very high	25 Å²	25	63.8 Å²	63.8	13%	0.134	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	135.8	176.3	-173.7	44.9	0	0	0	111.4	Y166 T172 H180 I181	Y166-D170 HydrophobicContact CD2-CB 4.06Å; Y166-D170 HydrophobicContact CE2-CB 4.06Å; Y166-D170 VanDerWaalsContact O-CB 3.31Å; Y166-D170 WeakPolarHBondContact O-CB 3.5Å; Y166-D170 PolarHBondContact O-N 3.08Å; Y166-D170 VanDerWaalsContact O-N 3.15Å; D170-T172 PolarHBondContact O-N 3.05Å; D170-T172 VanDerWaalsContact O-N 3.16Å; D170-H180 WeakPolarHBondContact OD1-CA 3.28Å; D170-H180 IonicContact OD1-CD2 3.88Å; D170-H180 IonicContact OD1-CG 3.65Å; D170-I181 HydrophobicContact CB-CB 4.21Å; D170-I181 HydrophobicContact CB-CG1 4.47Å; D170-I181 PolarHBondContact OD1-N 3.31Å
171	K	92.8	Very high	94.6	Very high	131 Å²	131	60.7 Å²	60.7	57%	0.57	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	12.3	-177.3	-56.9	152.6	-173.8	121.1	0	115.1	L169 L178 I179	L169-K171 PolarHBondContact O-N 3.36Å; K171-L178 VanDerWaalsContact O-CD2 3.31Å; K171-L178 WeakPolarHBondContact O-CD2 3.26Å; K171-I179 WeakPolarHBondContact CA-O 3.42Å; K171-I179 PolarHBondContact N-O 3.14Å
172	T	95.3	Very high	94.5	Very high	46 Å²	46	62.1 Å²	62.1	28%	0.282	30%	0.3	S	S	.	.			trans	-74.5	160.2	172.3	62.4	0	0	0	0	112.4	S168 L169 D170 L178 I179	S168-T172 VanDerWaalsContact O-CG2 3.31Å; S168-T172 WeakPolarHBondContact O-CG2 3.21Å; L169-T172 WeakPolarHBondContact O-CB 3.08Å; L169-T172 WeakPolarHBondContact O-CG2 2.99Å; L169-T172 PolarHBondContact O-N 2.95Å; L169-T172 PolarHBondContact O-OG1 3.08Å; D170-T172 PolarHBondContact O-N 3.05Å; D170-T172 VanDerWaalsContact O-N 3.16Å; T172-L178 CarbonylContact O-C 3.59Å; T172-L178 WeakPolarHBondContact O-CA 3.29Å; T172-I179 PolarHBondContact O-N 2.79Å; T172-I179 WeakPolarHBondContact OG1-CG1 3.41Å
173	K	94	Very high	94.5	Very high	181 Å²	181	63.6 Å²	63.6	79%	0.787	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	125.3	173.8	-68.8	-179.7	-177.9	176.2	0	110.3	R177 L178	K173-R177 CarbonylContact C-O 3.55Å; K173-R177 WeakPolarHBondContact CA-O 3.2Å; K173-L178 HydrophobicContact CG-CD2 3.6Å; K173-L178 HydrophobicContact CG-CG 4.42Å
174	F	92.8	Very high	94.2	Very high	35 Å²	35	63 Å²	63	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	130.3	176.5	175.4	-108.6	0	0	0	109.6	L115 H123 L124 L127 N176 R177 I179	L115-F174 HydrophobicContact CD2-CD1 4.18Å; L115-F174 HydrophobicContact CD2-CE1 4.22Å; H123-F174 HydrophobicContact CB-CZ 4.07Å; L124-F174 HydrophobicContact CD2-CE1 4.31Å; L127-F174 HydrophobicContact CB-CE2 4.2Å; L127-F174 HydrophobicContact CD1-CD2 4.32Å; L127-F174 HydrophobicContact CD1-CE2 4.47Å; L127-F174 HydrophobicContact CD2-CD1 4.35Å; L127-F174 HydrophobicContact CD2-CD2 3.78Å; L127-F174 HydrophobicContact CD2-CE1 4.41Å; L127-F174 HydrophobicContact CD2-CE2 3.86Å; L127-F174 HydrophobicContact CD2-CG 4.01Å; L127-F174 HydrophobicContact CD2-CZ 4.17Å; L127-F174 HydrophobicContact CG-CE2 4.41Å; F174-N176 VanDerWaalsContact C-N 3.29Å; F174-N176 PolarHBondContact O-N 2.92Å; F174-R177 PolarHBondContact N-O 3.35Å; F174-R177 PolarHBondContact O-N 2.63Å; F174-I179 HydrophobicContact CB-CD1 4.46Å; F174-I179 HydrophobicContact CB-CG2 3.94Å; F174-I179 HydrophobicContact CD1-CG2 4.13Å
175	M	91.1	Very high	93.8	Very high	68 Å²	68	65.5 Å²	65.5	34%	0.335	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	49.7	-174	-55.9	-176.9	85	0	0	113	C119 R177	C119-M175 HydrophobicContact CB-SD 3.81Å; M175-R177 PolarHBondContact O-N 2.83Å; M175-R177 VanDerWaalsContact O-N 3.12Å
176	N	90.7	Very high	92.9	Very high	173 Å²	173	71.5 Å²	71.5	93%	0.925	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	14.9	-177.2	-63.5	-13	0	0	0	116.4	F174	F174-N176 VanDerWaalsContact C-N 3.29Å; F174-N176 PolarHBondContact O-N 2.92Å
177	R	93.4	Very high	91.6	Very high	65 Å²	65	75.1 Å²	75.1	25%	0.245	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150	176	-64.2	171.9	73.7	151.9	-1.6	110.8	N114 L115 K173 F174 M175 I179	N114-R177 WeakPolarHBondContact O-CB 3.43Å; N114-R177 PolarHBondContact O-NE 3.04Å; N114-R177 PolarHBondContact OD1-NE 3.12Å; N114-R177 VanDerWaalsContact OD1-NE 3.15Å; N114-R177 PolarHBondContact OD1-NH2 2.92Å; L115-R177 PolarHBondContact O-NE 3.43Å; L115-R177 PolarHBondContact O-NH1 3.14Å; K173-R177 CarbonylContact C-O 3.55Å; K173-R177 WeakPolarHBondContact CA-O 3.2Å; F174-R177 PolarHBondContact N-O 3.35Å; F174-R177 PolarHBondContact O-N 2.63Å; M175-R177 PolarHBondContact O-N 2.83Å; M175-R177 VanDerWaalsContact O-N 3.12Å; R177-I179 PolarHBondContact O-N 3.32Å
178	L	93.7	Very high	90.1	Very high	95 Å²	95	74 Å²	74	50%	0.497	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.7	173.1	-70.9	165.7	0	0	0	109.2	N114 K171 T172 K173	N114-L178 WeakPolarHBondContact CB-O 3.21Å; N114-L178 PolarHBondContact ND2-O 3.41Å; K171-L178 VanDerWaalsContact O-CD2 3.31Å; K171-L178 WeakPolarHBondContact O-CD2 3.26Å; T172-L178 CarbonylContact O-C 3.59Å; T172-L178 WeakPolarHBondContact O-CA 3.29Å; K173-L178 HydrophobicContact CG-CD2 3.6Å; K173-L178 HydrophobicContact CG-CG 4.42Å
179	I	95.5	Very high	88.2	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.005	37%	0.37	C	S	.	.			trans	-77	145.5	176	61	170.5	0	0	0	110.1	V112 L115 L127 L169 K171 T172 F174 R177	V112-I179 HydrophobicContact CG1-CB 4.31Å; L115-I179 HydrophobicContact CD2-CG2 3.79Å; L127-I179 HydrophobicContact CD2-CD1 4.1Å; L169-I179 HydrophobicContact CB-CD1 4.32Å; L169-I179 WeakPolarHBondContact O-CG1 3.34Å; K171-I179 WeakPolarHBondContact CA-O 3.42Å; K171-I179 PolarHBondContact N-O 3.14Å; T172-I179 PolarHBondContact O-N 2.79Å; T172-I179 WeakPolarHBondContact OG1-CG1 3.41Å; F174-I179 HydrophobicContact CB-CD1 4.46Å; F174-I179 HydrophobicContact CB-CG2 3.94Å; F174-I179 HydrophobicContact CD1-CG2 4.13Å; R177-I179 PolarHBondContact O-N 3.32Å
180	H	94.9	Very high	86.1	Confident	47 Å²	47	78.5 Å²	78.5	22%	0.218	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.9	178.2	-176.3	-76.4	0	0	0	109.3	R113 D170	R113-H180 HydrophobicContact CG-CB 3.99Å; R113-H180 WeakPolarHBondContact CG-O 3.49Å; R113-H180 PolarHBondContact N-O 2.92Å; R113-H180 PolarHBondContact NE-ND1 2.98Å; R113-H180 PolarHBondContact NH2-ND1 3.04Å; R113-H180 PolarHBondContact O-N 3.46Å; D170-H180 WeakPolarHBondContact OD1-CA 3.28Å; D170-H180 IonicContact OD1-CD2 3.88Å; D170-H180 IonicContact OD1-CG 3.65Å
181	I	95.8	Very high	83.7	Confident	0 Å²	0	86.4 Å²	86.4	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.8	-172	-56.9	-178.5	0	0	0	109.1	L110 F111 V112 F128 Y166 L169 D170	L110-I181 HydrophobicContact CB-CG2 4.05Å; L110-I181 HydrophobicContact CD1-CG2 4.05Å; L110-I181 HydrophobicContact CD2-CG2 3.93Å; L110-I181 HydrophobicContact CG-CG2 4.23Å; F111-I181 WeakPolarHBondContact O-CA 3.41Å; V112-I181 HydrophobicContact CG1-CG1 4.37Å; V112-I181 HydrophobicContact CG2-CG1 4.32Å; F128-I181 HydrophobicContact CE1-CD1 3.96Å; F128-I181 HydrophobicContact CZ-CD1 3.85Å; Y166-I181 HydrophobicContact CD2-CB 3.89Å; Y166-I181 HydrophobicContact CD2-CG2 3.7Å; Y166-I181 HydrophobicContact CE2-CB 4.43Å; Y166-I181 HydrophobicContact CG-CG2 4.49Å; L169-I181 HydrophobicContact CB-CD1 3.59Å; D170-I181 HydrophobicContact CB-CB 4.21Å; D170-I181 HydrophobicContact CB-CG1 4.47Å; D170-I181 PolarHBondContact OD1-N 3.31Å
182	L	94.2	Very high	81.2	Confident	59 Å²	59	87.3 Å²	87.3	31%	0.309	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.7	178.8	-73.8	169.6	0	0	0	109.7	F111 G184	F111-L182 HydrophobicContact CB-CB 4.38Å; F111-L182 HydrophobicContact CD1-CB 4.21Å; F111-L182 HydrophobicContact CD1-CD1 4.1Å; F111-L182 HydrophobicContact CE1-CD1 4.49Å; F111-L182 PolarHBondContact N-O 3.04Å; F111-L182 PolarHBondContact O-N 3.2Å; L182-G184 PolarHBondContact O-N 3.1Å
183	P	94.1	Very high	78.7	Confident	31 Å²	31	89.4 Å²	89.4	20%	0.201	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	122.9	164.5	22.4	-32.7	0	0	0	110	A103 I104	A103-P183 HydrophobicContact CB-CB 3.67Å; A103-P183 HydrophobicContact CB-CG 4.19Å; I104-P183 HydrophobicContact CG1-CB 3.97Å
184	G	90.2	Very high	76.2	Confident	3 Å²	3	85.9 Å²	85.9	3%	0.031	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-79.6	145.5	170.7	0	0	0	0	0	110.2	T107 R109 L182	T107-G184 PolarHBondContact OG1-O 2.9Å; R109-G184 WeakPolarHBondContact O-CA 3.43Å; R109-G184 PolarHBondContact O-N 3.45Å; L182-G184 PolarHBondContact O-N 3.1Å
185	Q	87.5	Confident	73.7	Confident	161 Å²	161	93.9 Å²	93.9	75%	0.752	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-73.1	150	169	-68.3	177.9	-39.7	0	0	109.8	R109	R109-Q185 WeakPolarHBondContact CD-O 3.42Å; R109-Q185 PolarHBondContact NH1-O 3.21Å
186	E	77.4	Confident	71.2	Confident	127 Å²	127	97.5 Å²	97.5	59%	0.593	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-48.1	154	172.9	-64.2	-168.2	142.6	0	0	112.2	T107 R109 I188	T107-E186 HydrophobicContact CG2-CG 4.01Å; R109-E186 PolarHBondContact NH1-O 2.86Å; E186-I188 PolarHBondContact O-N 2.86Å
187	N	69.3	Low	68.6	Low	95 Å²	95	93 Å²	93	51%	0.508	46%	0.458	S	S	.	.			trans	-78.7	73.5	174.5	-156.7	30.7	0	0	0	110.3	R109 E189	R109-N187 PolarHBondContact NH2-OD1 3.49Å; N187-E189 VanDerWaalsContact C-N 3.26Å; N187-E189 PolarHBondContact O-N 3.43Å
188	I	63.6	Low	66.1	Low	132 Å²	132	94.3 Å²	94.3	68%	0.677	47%	0.469	S	S	*	.			trans	-61.1	94.2	167.7	-55.4	175.2	0	0	0	106.9	E186	E186-I188 PolarHBondContact O-N 2.86Å
189	E	55.8	Low	63.5	Low	102 Å²	102	95.4 Å²	95.4	48%	0.477	48%	0.476	S	S	.	.			trans	-53.1	129.7	170.9	-63.2	-149	126.8	0	0	108.2	N187 K191 K410	N187-E189 VanDerWaalsContact C-N 3.26Å; N187-E189 PolarHBondContact O-N 3.43Å; E189-K191 VanDerWaalsContact C-N 3.32Å; E189-K191 PolarHBondContact O-N 3.3Å; E189-K410 IonicContact OE1-NZ 3.79Å; E189-K410 PolarHBondContact OE1-NZ 3.5Å
190	P	51.7	Low	60.8	Low	71 Å²	71	100 Å²	100	46%	0.461	50%	0.5	S	S	.	.			trans	-74.6	89.6	-170.1	29.2	-35.5	0	0	0	110.3	D192 S193	P190-D192 PolarHBondContact O-N 2.75Å; P190-S193 WeakPolarHBondContact CB-OG 3.49Å; P190-S193 PolarHBondContact O-N 2.92Å
191	K	44.8	Very low	58.1	Low	191 Å²	191	102.9 Å²	102.9	83%	0.83	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-22.3	-176.9	-67.8	179.1	179.5	174.8	0	113.9	E189	E189-K191 VanDerWaalsContact C-N 3.32Å; E189-K191 PolarHBondContact O-N 3.3Å
192	D	39.9	Very low	55.3	Low	150 Å²	150	109.4 Å²	109.4	80%	0.802	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	-9	-176.2	-61.2	-80.2	0	0	0	115.8	P190	P190-D192 PolarHBondContact O-N 2.75Å
193	S	41.8	Very low	52.4	Low	90 Å²	90	115.9 Å²	115.9	63%	0.629	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-21.4	-171.2	94.2	0	0	0	0	114.9	P190 R195	P190-S193 WeakPolarHBondContact CB-OG 3.49Å; P190-S193 PolarHBondContact O-N 2.92Å; S193-R195 VanDerWaalsContact C-N 3.31Å; S193-R195 PolarHBondContact O-N 2.94Å
194	F	42.1	Very low	49.5	Very low	107 Å²	107	120.5 Å²	120.5	47%	0.469	59%	0.59	S	S	.	*	S	Bend	trans	-68.8	98.4	151.4	-87.5	-83.1	0	0	0	107.3	K196 L407 A411	F194-K196 PolarHBondContact O-N 3.27Å; F194-L407 HydrophobicContact CE2-CD2 3.85Å; F194-L407 HydrophobicContact CZ-CB 4.4Å; F194-L407 HydrophobicContact CZ-CD2 3.69Å; F194-A411 HydrophobicContact CE1-CB 4.41Å
195	R	40.1	Very low	47	Very low	204 Å²	204	128.6 Å²	128.6	77%	0.77	63%	0.626	S	S	*	*			trans	-45.1	134.7	165.9	-69.5	-179.9	176.5	177.3	-0.2	108	S193	S193-R195 VanDerWaalsContact C-N 3.31Å; S193-R195 PolarHBondContact O-N 2.94Å
196	K	38.4	Very low	44.7	Very low	143 Å²	143	128.5 Å²	128.5	62%	0.622	63%	0.631	S	S	*	*			trans	-41.6	137.1	176.4	-62.8	-178.2	176.6	-176.3	0	110.1	F194 N200	F194-K196 PolarHBondContact O-N 3.27Å; K196-N200 HydrophobicContact CD-CB 4.06Å; K196-N200 VanDerWaalsContact CD-OD1 3.24Å; K196-N200 WeakPolarHBondContact CD-OD1 3.22Å; K196-N200 PolarHBondContact NZ-OD1 3.05Å
197	P	37.4	Very low	43	Very low	79 Å²	79	125.8 Å²	125.8	51%	0.513	63%	0.626	S	S	.	*			trans	-51.4	150.1	169.1	24.9	-34	0	0	0	109.2	N199	P197-N199 PolarHBondContact O-N 3.2Å
198	L	39.6	Very low	41.3	Very low	92 Å²	92	125.5 Å²	125.5	48%	0.482	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-64.7	1.9	-155.1	-127.9	87.3	0	0	0	116.4	N200 V201 Y202	L198-N200 PolarHBondContact O-N 2.7Å; L198-V201 HydrophobicContact CD2-CB 4.24Å; L198-V201 HydrophobicContact CG-CB 4.06Å; L198-V201 HydrophobicContact CG-CG2 4.11Å; L198-V201 PolarHBondContact O-N 2.66Å; L198-Y202 HydrophobicContact CD2-CD2 4.27Å; L198-Y202 HydrophobicContact CD2-CE2 3.69Å; L198-Y202 PolarHBondContact O-N 3.43Å
199	N	39.7	Very low	40.1	Very low	119 Å²	119	122.9 Å²	122.9	64%	0.636	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-42	-24.7	165.6	-56.6	17.4	0	0	0	114.4	P197	P197-N199 PolarHBondContact O-N 3.2Å
200	N	38.2	Very low	39.4	Very low	98 Å²	98	124.2 Å²	124.2	52%	0.524	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-96	-2.4	177.4	-106.1	106.3	0	0	0	115.4	K196 L198	K196-N200 HydrophobicContact CD-CB 4.06Å; K196-N200 VanDerWaalsContact CD-OD1 3.24Å; K196-N200 WeakPolarHBondContact CD-OD1 3.22Å; K196-N200 PolarHBondContact NZ-OD1 3.05Å; L198-N200 PolarHBondContact O-N 2.7Å
201	V	39.1	Very low	39.1	Very low	106 Å²	106	124.8 Å²	124.8	64%	0.642	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-29.2	172.8	-178.1	0	0	0	0	111.2	L198 R203	L198-V201 HydrophobicContact CD2-CB 4.24Å; L198-V201 HydrophobicContact CG-CB 4.06Å; L198-V201 HydrophobicContact CG-CG2 4.11Å; L198-V201 PolarHBondContact O-N 2.66Å; V201-R203 PolarHBondContact O-N 2.83Å
202	Y	35.8	Very low	39.4	Very low	137 Å²	137	120.3 Å²	120.3	54%	0.537	64%	0.637	S	S	.	*			trans	-84.3	60.8	168.4	-67.4	-69.4	0	0	0	112.1	L198	L198-Y202 HydrophobicContact CD2-CD2 4.27Å; L198-Y202 HydrophobicContact CD2-CE2 3.69Å; L198-Y202 PolarHBondContact O-N 3.43Å
203	R	34	Very low	40.1	Very low	195 Å²	195	119.3 Å²	119.3	74%	0.736	63%	0.63	S	S	*	*			trans	-107.6	28	165.8	-152	-174.1	-176.6	171.6	4.2	112.2	V201	V201-R203 PolarHBondContact O-N 2.83Å
204	N	32.6	Very low	40.9	Very low	129 Å²	129	123.2 Å²	123.2	69%	0.69	64%	0.643	S	S	*	*			trans	-83.3	116.4	161.5	-85.2	0.3	0	0	0	107.8	N206	N204-N206 PolarHBondContact O-N 3.08Å; N204-N206 VanDerWaalsContact O-N 3.09Å
205	E	38.5	Very low	42.2	Very low	172 Å²	172	120.8 Å²	120.8	80%	0.804	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	6.9	-177.8	-64	170.4	165.7	0	0	112.5
206	N	39.4	Very low	44.1	Very low	160 Å²	160	113.6 Å²	113.6	86%	0.856	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	23.2	-168.6	-63.4	-7.6	0	0	0	114.1	N204	N204-N206 PolarHBondContact O-N 3.08Å; N204-N206 VanDerWaalsContact O-N 3.09Å
207	S	40.2	Very low	46.2	Very low	69 Å²	69	111.1 Å²	111.1	48%	0.483	62%	0.616	S	S	.	*			trans	-125.6	106.1	171.8	62.1	0	0	0	0	110.6	D209	S207-D209 PolarHBondContact O-N 3.27Å
208	G	34.3	Very low	48.3	Very low	90 Å²	90	114.1 Å²	114.1	93%	0.928	62%	0.622	S	S	*	*			trans	-73.6	62.4	-175.9	0	0	0	0	0	114.1	P210	G208-P210 WeakPolarHBondContact O-CD 3.1Å
209	D	38.7	Very low	50.2	Low	76 Å²	76	114.1 Å²	114.1	41%	0.406	62%	0.619	S	S	.	*			trans	-102.1	97.6	180	-179.8	7.2	0	0	0	109.2	S207 S211 K212	S207-D209 PolarHBondContact O-N 3.27Å; D209-S211 PolarHBondContact O-N 2.66Å; D209-S211 VanDerWaalsContact O-N 3.08Å; D209-S211 PolarHBondContact OD1-OG 2.9Å; D209-K212 IonicContact OD2-NZ 3.22Å; D209-K212 PolarHBondContact OD2-NZ 3.03Å
210	P	40.5	Very low	52	Low	131 Å²	131	111 Å²	111	85%	0.851	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-3.9	-163.9	30.3	-37.1	0	0	0	114.5	G208 K212	G208-P210 WeakPolarHBondContact O-CD 3.1Å; P210-K212 PolarHBondContact O-N 2.79Å
211	S	45.8	Very low	54.2	Low	83 Å²	83	110.3 Å²	110.3	58%	0.58	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-13.3	-172.4	60.8	0	0	0	0	115	D209 I213	D209-S211 PolarHBondContact O-N 2.66Å; D209-S211 VanDerWaalsContact O-N 3.08Å; D209-S211 PolarHBondContact OD1-OG 2.9Å; S211-I213 PolarHBondContact O-N 2.69Å
212	K	50.9	Low	56.3	Low	97 Å²	97	112 Å²	112	42%	0.422	59%	0.594	S	S	.	*			trans	-89.2	88.6	-172.7	-71.9	172.1	-179.8	117.2	0	112	D209 P210 L214	D209-K212 IonicContact OD2-NZ 3.22Å; D209-K212 PolarHBondContact OD2-NZ 3.03Å; P210-K212 PolarHBondContact O-N 2.79Å; K212-L214 PolarHBondContact O-N 3.31Å; K212-L214 VanDerWaalsContact O-N 3.07Å
213	I	55.1	Low	58.3	Low	128 Å²	128	108 Å²	108	66%	0.656	58%	0.579	S	S	*	*			trans	-54.4	112.7	174.5	-58.1	174.7	0	0	0	110.2	S211 L215	S211-I213 PolarHBondContact O-N 2.69Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 HydrophobicContact CG2-CD2 3.77Å; I213-L215 HydrophobicContact CG2-CG 4.23Å; I213-L215 PolarHBondContact O-N 3.28Å
214	L	59.5	Low	60.5	Low	173 Å²	173	103.2 Å²	103.2	91%	0.906	57%	0.565	S	S	*	*			trans	-72.9	80.3	171.2	-70.1	175.7	0	0	0	110.1	K212 S216	K212-L214 PolarHBondContact O-N 3.31Å; K212-L214 VanDerWaalsContact O-N 3.07Å; L214-S216 PolarHBondContact O-N 3.07Å
215	L	68.5	Low	62.9	Low	56 Å²	56	102.2 Å²	102.2	29%	0.293	56%	0.556	S	S	.	*			trans	-57.3	128.1	172.9	-62.3	173.9	0	0	0	109.7	I213 Q219 N220	I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 HydrophobicContact CG2-CD2 3.77Å; I213-L215 HydrophobicContact CG2-CG 4.23Å; I213-L215 PolarHBondContact O-N 3.28Å; L215-Q219 HydrophobicContact CB-CB 4.01Å; L215-Q219 HydrophobicContact CD2-CB 4.05Å; L215-N220 WeakPolarHBondContact CB-ND2 3.45Å; L215-N220 PolarHBondContact O-ND2 2.71Å
216	S	80.6	Confident	65	Low	53 Å²	53	96.9 Å²	96.9	37%	0.371	53%	0.533	S	S	.	.			trans	-62.4	163.6	169.3	60.2	0	0	0	0	111.5	L214 F218 Q219 N220	L214-S216 PolarHBondContact O-N 3.07Å; S216-F218 PolarHBondContact O-N 2.87Å; S216-Q219 PolarHBondContact O-N 2.96Å; S216-Q219 WeakPolarHBondContact OG-CG 3.45Å; S216-Q219 PolarHBondContact OG-N 2.66Å; S216-Q219 PolarHBondContact OG-OE1 3.04Å; S216-N220 PolarHBondContact O-N 3.04Å; S216-N220 PolarHBondContact O-ND2 3.37Å
217	S	81.3	Confident	67	Low	90 Å²	90	92.1 Å²	92.1	63%	0.629	51%	0.505	S	S	*	.	H	α-helix	trans	-49.2	-56.2	175.7	45.6	0	0	0	0	111.4	Q219 N220 D221	S217-Q219 PolarHBondContact O-N 3.36Å; S217-Q219 VanDerWaalsContact O-N 3.11Å; S217-N220 CarbonylContact O-C 3.57Å; S217-N220 WeakPolarHBondContact O-CA 3.41Å; S217-N220 WeakPolarHBondContact O-CB 3.26Å; S217-N220 PolarHBondContact O-N 3.42Å; S217-D221 VanDerWaalsContact C-OD2 3.27Å; S217-D221 PolarHBondContact O-N 3.18Å; S217-D221 VanDerWaalsContact O-OD2 3.04Å
218	F	81.4	Confident	68.7	Low	143 Å²	143	95.4 Å²	95.4	63%	0.627	51%	0.51	S	S	*	.	H	α-helix	trans	-52.7	-35.7	176.4	179.1	-103.7	0	0	0	114.2	S216 R222	S216-F218 PolarHBondContact O-N 2.87Å; F218-R222 VanDerWaalsContact O-CB 3.23Å; F218-R222 WeakPolarHBondContact O-CB 3.49Å; F218-R222 PolarHBondContact O-N 2.79Å
219	Q	79	Confident	70.6	Confident	92 Å²	92	95.8 Å²	95.8	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-73.3	-39.9	174.8	-73.9	166	-62.1	0	0	112.3	L215 S216 S217 F223	L215-Q219 HydrophobicContact CB-CB 4.01Å; L215-Q219 HydrophobicContact CD2-CB 4.05Å; S216-Q219 PolarHBondContact O-N 2.96Å; S216-Q219 WeakPolarHBondContact OG-CG 3.45Å; S216-Q219 PolarHBondContact OG-N 2.66Å; S216-Q219 PolarHBondContact OG-OE1 3.04Å; S217-Q219 PolarHBondContact O-N 3.36Å; S217-Q219 VanDerWaalsContact O-N 3.11Å; Q219-F223 WeakPolarHBondContact O-CB 3.26Å; Q219-F223 PolarHBondContact O-N 2.68Å
220	N	79.3	Confident	72.1	Confident	54 Å²	54	92.9 Å²	92.9	29%	0.289	48%	0.477	S	S	.	.	H	α-helix	trans	-67.1	-36.3	174.5	-69.1	-73.5	0	0	0	112.3	L215 S216 S217 Q224	L215-N220 WeakPolarHBondContact CB-ND2 3.45Å; L215-N220 PolarHBondContact O-ND2 2.71Å; S216-N220 PolarHBondContact O-N 3.04Å; S216-N220 PolarHBondContact O-ND2 3.37Å; S217-N220 CarbonylContact O-C 3.57Å; S217-N220 WeakPolarHBondContact O-CA 3.41Å; S217-N220 WeakPolarHBondContact O-CB 3.26Å; S217-N220 PolarHBondContact O-N 3.42Å; N220-Q224 VanDerWaalsContact O-CG 3.29Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.3Å; N220-Q224 PolarHBondContact O-NE2 3.4Å; N220-Q224 VanDerWaalsContact O-NE2 3.14Å
221	D	83.8	Confident	73.3	Confident	82 Å²	82	88.9 Å²	88.9	44%	0.439	46%	0.459	S	S	.	.	H	α-helix	trans	-69	-50.8	179.3	-60.2	-33.7	0	0	0	109.7	S217 F223 Q224 E225	S217-D221 VanDerWaalsContact C-OD2 3.27Å; S217-D221 PolarHBondContact O-N 3.18Å; S217-D221 VanDerWaalsContact O-OD2 3.04Å; D221-F223 VanDerWaalsContact C-N 3.28Å; D221-F223 PolarHBondContact O-N 3.11Å; D221-Q224 WeakPolarHBondContact O-CA 3.22Å; D221-Q224 WeakPolarHBondContact O-CB 3.42Å; D221-Q224 PolarHBondContact O-N 2.66Å; D221-E225 WeakPolarHBondContact O-CG 3.48Å; D221-E225 PolarHBondContact O-N 2.74Å
222	R	82.1	Confident	74.1	Confident	141 Å²	141	88.1 Å²	88.1	53%	0.532	45%	0.451	S	S	.	.	H	α-helix	trans	-60.1	-35	173.6	-174.4	177.2	179.3	-179.2	0.7	113.3	F218 E225 L226	F218-R222 VanDerWaalsContact O-CB 3.23Å; F218-R222 WeakPolarHBondContact O-CB 3.49Å; F218-R222 PolarHBondContact O-N 2.79Å; R222-E225 WeakPolarHBondContact CA-OE2 3.24Å; R222-E225 PolarHBondContact O-N 3.41Å; R222-L226 HydrophobicContact CG-CD1 4.36Å; R222-L226 WeakPolarHBondContact O-CG 3.34Å; R222-L226 PolarHBondContact O-N 2.68Å
223	F	79.4	Confident	74.3	Confident	53 Å²	53	84.8 Å²	84.8	23%	0.232	44%	0.444	C	S	.	.	H	α-helix	trans	-65.3	-42	173.5	179.8	-78.4	0	0	0	111.3	Q219 D221 K227 Y414	Q219-F223 WeakPolarHBondContact O-CB 3.26Å; Q219-F223 PolarHBondContact O-N 2.68Å; D221-F223 VanDerWaalsContact C-N 3.28Å; D221-F223 PolarHBondContact O-N 3.11Å; F223-K227 HydrophobicContact CE1-CD 4.1Å; F223-K227 VanDerWaalsContact O-CB 3.22Å; F223-K227 WeakPolarHBondContact O-CB 3.47Å; F223-K227 PolarHBondContact O-N 2.87Å; F223-Y414 WeakPolarHBondContact CE2-O 3.25Å; F223-Y414 WeakPolarHBondContact CZ-O 3.43Å
224	Q	80.1	Confident	74.2	Confident	96 Å²	96	84.3 Å²	84.3	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-33	175.2	-75	170.3	70.7	0	0	112.9	N220 D221 K228	N220-Q224 VanDerWaalsContact O-CG 3.29Å; N220-Q224 WeakPolarHBondContact O-CG 3.49Å; N220-Q224 PolarHBondContact O-N 3.3Å; N220-Q224 PolarHBondContact O-NE2 3.4Å; N220-Q224 VanDerWaalsContact O-NE2 3.14Å; D221-Q224 WeakPolarHBondContact O-CA 3.22Å; D221-Q224 WeakPolarHBondContact O-CB 3.42Å; D221-Q224 PolarHBondContact O-N 2.66Å; Q224-K228 VanDerWaalsContact O-CD 3.25Å; Q224-K228 WeakPolarHBondContact O-CD 3.44Å; Q224-K228 WeakPolarHBondContact O-CE 3.46Å; Q224-K228 WeakPolarHBondContact O-CG 3.48Å; Q224-K228 PolarHBondContact O-N 2.97Å; Q224-K228 VanDerWaalsContact O-N 3.16Å
225	E	82.9	Confident	74	Confident	107 Å²	107	78.4 Å²	78.4	50%	0.5	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-59.4	171.1	-69.6	168.8	165.5	0	0	110.6	D221 R222 K227 K228 D229	D221-E225 WeakPolarHBondContact O-CG 3.48Å; D221-E225 PolarHBondContact O-N 2.74Å; R222-E225 WeakPolarHBondContact CA-OE2 3.24Å; R222-E225 PolarHBondContact O-N 3.41Å; E225-K227 PolarHBondContact O-N 2.87Å; E225-K227 VanDerWaalsContact O-N 3.13Å; E225-K228 WeakPolarHBondContact O-CB 3.29Å; E225-K228 PolarHBondContact O-N 2.82Å; E225-D229 PolarHBondContact O-N 2.92Å
226	L	81.3	Confident	73.5	Confident	60 Å²	60	84.5 Å²	84.5	31%	0.314	43%	0.427	S	S	.	.	H	α-helix	trans	-53.9	-37.2	177.1	-70.4	169.8	0	0	0	112.7	R222 D229 S230 Y414	R222-L226 HydrophobicContact CG-CD1 4.36Å; R222-L226 WeakPolarHBondContact O-CG 3.34Å; R222-L226 PolarHBondContact O-N 2.68Å; L226-D229 PolarHBondContact O-N 3.32Å; L226-S230 PolarHBondContact O-N 2.98Å; L226-Y414 HydrophobicContact CB-CD1 4.04Å; L226-Y414 HydrophobicContact CB-CD2 4.18Å; L226-Y414 HydrophobicContact CB-CE1 3.85Å; L226-Y414 HydrophobicContact CB-CE2 4.01Å; L226-Y414 HydrophobicContact CB-CG 4.2Å; L226-Y414 HydrophobicContact CD1-CD1 4.33Å; L226-Y414 HydrophobicContact CD1-CE1 4.06Å; L226-Y414 HydrophobicContact CD2-CE1 4.27Å; L226-Y414 HydrophobicContact CG-CE1 4.29Å; L226-Y414 WeakPolarHBondContact O-CD2 3.39Å; L226-Y414 WeakPolarHBondContact O-CE2 3.37Å
227	K	81.4	Confident	72.7	Confident	60 Å²	60	84 Å²	84	26%	0.261	42%	0.42	S	S	.	.	H	α-helix	trans	-70.1	-30.1	177.7	-166	172.5	-174.5	87.4	0	113.6	F223 E225 S230 K410 A411 A413	F223-K227 HydrophobicContact CE1-CD 4.1Å; F223-K227 VanDerWaalsContact O-CB 3.22Å; F223-K227 WeakPolarHBondContact O-CB 3.47Å; F223-K227 PolarHBondContact O-N 2.87Å; E225-K227 PolarHBondContact O-N 2.87Å; E225-K227 VanDerWaalsContact O-N 3.13Å; K227-S230 PolarHBondContact O-OG 2.93Å; K227-K410 WeakPolarHBondContact CE-O 3.33Å; K227-K410 PolarHBondContact NZ-O 3.28Å; K227-A411 PolarHBondContact NZ-O 3.09Å; K227-A413 PolarHBondContact NZ-O 3.14Å
228	K	77.3	Confident	72.1	Confident	138 Å²	138	79.9 Å²	79.9	60%	0.6	39%	0.392	S	S	*	.	H	α-helix	trans	-71.1	-47.1	170.1	-66.5	154.3	-165.6	163.8	0	110.4	Q224 E225 S230 G231	Q224-K228 VanDerWaalsContact O-CD 3.25Å; Q224-K228 WeakPolarHBondContact O-CD 3.44Å; Q224-K228 WeakPolarHBondContact O-CE 3.46Å; Q224-K228 WeakPolarHBondContact O-CG 3.48Å; Q224-K228 PolarHBondContact O-N 2.97Å; Q224-K228 VanDerWaalsContact O-N 3.16Å; E225-K228 WeakPolarHBondContact O-CB 3.29Å; E225-K228 PolarHBondContact O-N 2.82Å; K228-S230 PolarHBondContact O-N 3.25Å; K228-S230 VanDerWaalsContact O-N 3.17Å; K228-G231 PolarHBondContact O-N 3.39Å
229	D	73.7	Confident	71.8	Confident	99 Å²	99	73.7 Å²	73.7	53%	0.529	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-20.2	-179.1	-62.3	-16.5	0	0	0	112.7	E225 L226 G231 V232	E225-D229 PolarHBondContact O-N 2.92Å; L226-D229 PolarHBondContact O-N 3.32Å; D229-G231 PolarHBondContact O-N 3.4Å; D229-V232 WeakPolarHBondContact O-CB 3.47Å; D229-V232 WeakPolarHBondContact O-CG2 3.45Å; D229-V232 PolarHBondContact O-N 2.94Å
230	S	70.2	Confident	71.8	Confident	15 Å²	15	72.7 Å²	72.7	11%	0.105	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.3	178.6	76.5	0	0	0	0	115.4	L226 K227 K228 Y409 A413	L226-S230 PolarHBondContact O-N 2.98Å; K227-S230 PolarHBondContact O-OG 2.93Å; K228-S230 PolarHBondContact O-N 3.25Å; K228-S230 VanDerWaalsContact O-N 3.17Å; S230-Y409 VanDerWaalsContact O-CE1 3.27Å; S230-Y409 WeakPolarHBondContact O-CE1 3.24Å; S230-Y409 PolarHBondContact O-OH 3.01Å; S230-A413 VanDerWaalsContact OG-CB 3.29Å; S230-A413 WeakPolarHBondContact OG-CB 3.37Å
231	G	65.4	Low	72.1	Confident	47 Å²	47	70.6 Å²	70.6	49%	0.485	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14	174.6	0	0	0	0	0	114.8	K228 D229 G233	K228-G231 PolarHBondContact O-N 3.39Å; D229-G231 PolarHBondContact O-N 3.4Å; G231-G233 PolarHBondContact O-N 2.91Å
232	V	62.1	Low	72.2	Confident	67 Å²	67	72.1 Å²	72.1	41%	0.406	35%	0.348	S	S	.	.	S	Bend	trans	-73.9	122.4	-179.7	-176.2	0	0	0	0	109.6	D229 H234	D229-V232 WeakPolarHBondContact O-CB 3.47Å; D229-V232 WeakPolarHBondContact O-CG2 3.45Å; D229-V232 PolarHBondContact O-N 2.94Å; V232-H234 WeakPolarHBondContact CG1-NE2 3.49Å; V232-H234 PolarHBondContact O-N 3.13Å
233	G	56.7	Low	72.6	Confident	26 Å²	26	69.1 Å²	69.1	27%	0.268	35%	0.346	S	S	.	.			trans	-69.9	43.9	-174	0	0	0	0	0	116	G231 N235	G231-G233 PolarHBondContact O-N 2.91Å; G233-N235 PolarHBondContact O-N 2.94Å
234	H	52.5	Low	73.1	Confident	118 Å²	118	70.1 Å²	70.1	55%	0.546	36%	0.355	S	S	.	.			trans	-66	101.6	170.2	-67.9	-50.3	0	0	0	109.8	V232 W236	V232-H234 WeakPolarHBondContact CG1-NE2 3.49Å; V232-H234 PolarHBondContact O-N 3.13Å; H234-W236 VanDerWaalsContact C-N 3.26Å; H234-W236 VanDerWaalsContact O-CD1 3.27Å; H234-W236 PolarHBondContact O-N 2.88Å
235	N	55.4	Low	73.5	Confident	50 Å²	50	66.1 Å²	66.1	27%	0.267	34%	0.338	S	S	.	.			trans	-78	72.8	178.3	-166	0.8	0	0	0	111.3	G233 N237 H302 Q425	G233-N235 PolarHBondContact O-N 2.94Å; N235-N237 PolarHBondContact O-N 3Å; N235-H302 PolarHBondContact ND2-CD2 3.43Å; N235-H302 VanDerWaalsContact ND2-CG 3.35Å; N235-Q425 PolarHBondContact OD1-NE2 3.08Å
236	W	57.2	Low	73.9	Confident	184 Å²	184	61.1 Å²	61.1	70%	0.697	31%	0.314	S	S	*	.			trans	-62.4	129.3	164.3	-61.2	78.4	0	0	0	108	H234 A238 Q425	H234-W236 VanDerWaalsContact C-N 3.26Å; H234-W236 VanDerWaalsContact O-CD1 3.27Å; H234-W236 PolarHBondContact O-N 2.88Å; W236-A238 PolarHBondContact O-N 2.98Å; W236-A238 VanDerWaalsContact O-N 3.08Å; W236-Q425 PolarHBondContact O-NE2 3.2Å; W236-Q425 PolarHBondContact O-OE1 3.35Å
237	N	65.3	Low	74.4	Confident	42 Å²	42	58.2 Å²	58.2	23%	0.225	30%	0.299	C	S	.	.			trans	-37.3	119.7	-177.1	178.7	-5.5	0	0	0	111.6	N235 L239 F240 K347	N235-N237 PolarHBondContact O-N 3Å; N237-L239 PolarHBondContact O-N 2.83Å; N237-L239 PolarHBondContact OD1-N 2.89Å; N237-F240 HydrophobicContact CB-CB 4.44Å; N237-F240 WeakPolarHBondContact O-CB 3.46Å; N237-F240 PolarHBondContact O-N 3.44Å; N237-K347 PolarHBondContact O-NZ 3.31Å
238	A	67.5	Low	74.9	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.033	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.7	-173.8	0	0	0	0	0	112.9	W236 F299 L345 K347	W236-A238 PolarHBondContact O-N 2.98Å; W236-A238 VanDerWaalsContact O-N 3.08Å; A238-F299 HydrophobicContact CB-CB 4.29Å; A238-F299 HydrophobicContact CB-CD1 3.21Å; A238-F299 HydrophobicContact CB-CE1 3.66Å; A238-F299 HydrophobicContact CB-CG 3.97Å; A238-L345 HydrophobicContact CB-CD2 3.96Å; A238-L345 WeakPolarHBondContact O-CD2 3.5Å; A238-K347 WeakPolarHBondContact O-CE 3.32Å; A238-K347 PolarHBondContact O-NZ 3.34Å
239	L	75.6	Confident	75.4	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.063	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	2.7	-179.8	-58.3	173.1	0	0	0	114.2	N237 I241 V282 K286 F289	N237-L239 PolarHBondContact O-N 2.83Å; N237-L239 PolarHBondContact OD1-N 2.89Å; L239-I241 VanDerWaalsContact O-CG1 3.26Å; L239-I241 WeakPolarHBondContact O-CG1 3.3Å; L239-V282 HydrophobicContact CB-CG1 4.21Å; L239-V282 HydrophobicContact CD1-CG1 4.29Å; L239-V282 WeakPolarHBondContact O-CG2 3.43Å; L239-K286 HydrophobicContact CD1-CD 4.04Å; L239-K286 HydrophobicContact CD1-CG 3.62Å; L239-F289 HydrophobicContact CD2-CD2 4.2Å; L239-F289 HydrophobicContact CD2-CE2 4.09Å
240	F	79	Confident	76.2	Confident	72 Å²	72	46.7 Å²	46.7	32%	0.316	25%	0.248	S	C	.	.			trans	-65.1	133	174.2	173.9	-114.9	0	0	0	111.9	N237 H679	N237-F240 HydrophobicContact CB-CB 4.44Å; N237-F240 WeakPolarHBondContact O-CB 3.46Å; N237-F240 PolarHBondContact O-N 3.44Å; F240-H679 AromaticContact CD2-CD2 3.98Å; F240-H679 AromaticContact CD2-CE1 3.49Å; F240-H679 VanDerWaalsContact CD2-CE1 3.49Å; F240-H679 WeakPolarHBondContact CD2-CE1 3.31Å; F240-H679 AromaticContact CD2-ND1 3.88Å; F240-H679 AromaticContact CD2-NE2 3.55Å; F240-H679 AromaticContact CE2-CD2 3.88Å; F240-H679 AromaticContact CE2-NE2 3.94Å
241	I	85.1	Confident	77.2	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.046	25%	0.248	C	C	.	.			trans	-120.6	145.9	-175.8	-38.2	-175.4	0	0	0	109.7	L239 A245 V246 E278 L281 V282 M285 I393	L239-I241 VanDerWaalsContact O-CG1 3.26Å; L239-I241 WeakPolarHBondContact O-CG1 3.3Å; I241-A245 HydrophobicContact CG2-CB 4.06Å; I241-V246 HydrophobicContact CB-CG2 4.01Å; I241-V246 HydrophobicContact CG2-CG2 3.84Å; I241-E278 HydrophobicContact CB-CG 4.49Å; I241-E278 HydrophobicContact CD1-CG 4.48Å; I241-E278 HydrophobicContact CG1-CG 4.46Å; I241-L281 HydrophobicContact CD1-CB 4.05Å; I241-L281 HydrophobicContact CD1-CD2 3.44Å; I241-L281 VanDerWaalsContact CD1-CD2 3.44Å; I241-L281 HydrophobicContact CD1-CG 3.48Å; I241-L281 VanDerWaalsContact CD1-CG 3.48Å; I241-L281 HydrophobicContact CG2-CD2 4.15Å; I241-V282 HydrophobicContact CD1-CG2 3.72Å; I241-V282 HydrophobicContact CG1-CG2 4.1Å; I241-M285 HydrophobicContact CD1-CE 3.44Å; I241-M285 VanDerWaalsContact CD1-CE 3.44Å; I241-M285 HydrophobicContact CG1-CE 3.98Å; I241-I393 HydrophobicContact CG2-CG2 4.43Å
242	R	86.9	Confident	78.3	Confident	115 Å²	115	47.4 Å²	47.4	43%	0.434	25%	0.251	S	S	.	.			trans	-73.6	138.1	172.1	-65.4	169.9	65.3	90.2	0.6	109.5	D244 A245 V246 N348	R242-D244 HydrophobicContact CB-CB 4.34Å; R242-D244 PolarHBondContact O-N 3.38Å; R242-D244 VanDerWaalsContact O-N 3.1Å; R242-A245 PolarHBondContact O-N 2.94Å; R242-V246 PolarHBondContact O-N 2.98Å; R242-V246 VanDerWaalsContact O-N 3.08Å; R242-N348 WeakPolarHBondContact CD-OD1 3.44Å
243	P	89.6	Confident	79.5	Confident	77 Å²	77	47.9 Å²	47.9	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-26.5	179.1	23	-33.7	0	0	0	113.1	V246 A247 L274	P243-V246 PolarHBondContact O-N 3.17Å; P243-A247 WeakPolarHBondContact O-CB 3.43Å; P243-A247 PolarHBondContact O-N 3.02Å; P243-L274 HydrophobicContact CB-CD1 4.19Å
244	D	89.6	Confident	80.9	Confident	75 Å²	75	49 Å²	49	40%	0.401	25%	0.245	S	C	.	.	H	α-helix	trans	-57.6	-49.9	169.6	179.4	29.6	0	0	0	113.2	R242 V246 A247 T248 M258	R242-D244 HydrophobicContact CB-CB 4.34Å; R242-D244 PolarHBondContact O-N 3.38Å; R242-D244 VanDerWaalsContact O-N 3.1Å; D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.16Å; D244-A247 PolarHBondContact O-N 2.95Å; D244-T248 PolarHBondContact O-N 3.41Å; D244-T248 PolarHBondContact O-OG1 3.02Å; D244-M258 VanDerWaalsContact OD1-CE 3.31Å; D244-M258 WeakPolarHBondContact OD1-CE 3.29Å
245	A	89.3	Confident	82.6	Confident	12 Å²	12	46.9 Å²	46.9	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-72.1	-28.2	175.7	0	0	0	0	0	112.3	I241 R242 Y249 I393	I241-A245 HydrophobicContact CG2-CB 4.06Å; R242-A245 PolarHBondContact O-N 2.94Å; A245-Y249 WeakPolarHBondContact O-CB 3.42Å; A245-Y249 PolarHBondContact O-N 2.8Å; A245-I393 HydrophobicContact CB-CD1 4.04Å; A245-I393 HydrophobicContact CB-CG1 4.31Å; A245-I393 HydrophobicContact CB-CG2 3.84Å
246	V	91.1	Very high	84.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-43	170.5	175.9	0	0	0	0	111.4	I241 R242 P243 D244 T248 Y249 L250 L274 G277 E278 L281	I241-V246 HydrophobicContact CB-CG2 4.01Å; I241-V246 HydrophobicContact CG2-CG2 3.84Å; R242-V246 PolarHBondContact O-N 2.98Å; R242-V246 VanDerWaalsContact O-N 3.08Å; P243-V246 PolarHBondContact O-N 3.17Å; D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.16Å; V246-T248 VanDerWaalsContact C-N 3.27Å; V246-T248 PolarHBondContact O-N 3.47Å; V246-Y249 WeakPolarHBondContact O-CB 3.2Å; V246-Y249 PolarHBondContact O-N 3.07Å; V246-Y249 VanDerWaalsContact O-N 3.16Å; V246-L250 HydrophobicContact CG1-CD1 4.46Å; V246-L250 WeakPolarHBondContact O-CG 3.13Å; V246-L250 PolarHBondContact O-N 2.91Å; V246-L274 HydrophobicContact CB-CD2 4.49Å; V246-L274 HydrophobicContact CG1-CD2 4.16Å; V246-L274 WeakPolarHBondContact CG1-O 3.16Å; V246-G277 VanDerWaalsContact CG1-C 3.43Å; V246-E278 HydrophobicContact CG1-CB 4.39Å; V246-E278 VanDerWaalsContact CG1-N 3.31Å; V246-E278 HydrophobicContact CG2-CB 3.94Å; V246-E278 HydrophobicContact CG2-CG 4.24Å; V246-L281 HydrophobicContact CG2-CD2 4.46Å
247	A	92.4	Very high	85.9	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-40.8	174.4	0	0	0	0	0	111.1	P243 D244 L250 A251 M258 V261 L262 L274	P243-A247 WeakPolarHBondContact O-CB 3.43Å; P243-A247 PolarHBondContact O-N 3.02Å; D244-A247 PolarHBondContact O-N 2.95Å; A247-L250 PolarHBondContact O-N 2.91Å; A247-A251 WeakPolarHBondContact O-CB 3.29Å; A247-A251 PolarHBondContact O-N 3.16Å; A247-M258 HydrophobicContact CB-CE 4.36Å; A247-M258 HydrophobicContact CB-CG 4.26Å; A247-V261 HydrophobicContact CB-CG1 4.14Å; A247-L262 HydrophobicContact CB-CD1 4.22Å; A247-L262 HydrophobicContact CB-CD2 3.96Å; A247-L262 HydrophobicContact CB-CG 4.11Å; A247-L274 HydrophobicContact CB-CD2 3.91Å
248	T	90.7	Very high	87.1	Confident	44 Å²	44	41.6 Å²	41.6	27%	0.27	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-35.4	175.1	-49.2	0	0	0	0	112.3	D244 V246 A252 A351	D244-T248 PolarHBondContact O-N 3.41Å; D244-T248 PolarHBondContact O-OG1 3.02Å; V246-T248 VanDerWaalsContact C-N 3.27Å; V246-T248 PolarHBondContact O-N 3.47Å; T248-A252 WeakPolarHBondContact O-CB 3.15Å; T248-A252 PolarHBondContact O-N 3.24Å; T248-A351 HydrophobicContact CG2-CB 3.42Å; T248-A351 VanDerWaalsContact CG2-CB 3.42Å
249	Y	89.3	Confident	88.2	Confident	8 Å²	8	49.2 Å²	49.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-48.7	171.8	163.5	-100.4	0	0	0	112.6	A245 V246 A251 A252 K253 Q280 L281 E284 L391	A245-Y249 WeakPolarHBondContact O-CB 3.42Å; A245-Y249 PolarHBondContact O-N 2.8Å; V246-Y249 WeakPolarHBondContact O-CB 3.2Å; V246-Y249 PolarHBondContact O-N 3.07Å; V246-Y249 VanDerWaalsContact O-N 3.16Å; Y249-A251 VanDerWaalsContact C-N 3.33Å; Y249-A251 PolarHBondContact O-N 3.07Å; Y249-A252 PolarHBondContact O-N 3.43Å; Y249-K253 HydrophobicContact CE1-CD 4.13Å; Y249-K253 HydrophobicContact CE2-CD 3.94Å; Y249-K253 WeakPolarHBondContact O-CB 3.2Å; Y249-K253 PolarHBondContact O-N 2.93Å; Y249-K253 WeakPolarHBondContact OH-CD 3.34Å; Y249-K253 PolarHBondContact OH-NZ 2.85Å; Y249-Q280 PolarHBondContact OH-OE1 3.44Å; Y249-L281 HydrophobicContact CD1-CB 3.95Å; Y249-L281 HydrophobicContact CD1-CD2 4.35Å; Y249-L281 HydrophobicContact CD2-CB 4.32Å; Y249-L281 HydrophobicContact CD2-CD1 3.69Å; Y249-L281 HydrophobicContact CD2-CD2 4.26Å; Y249-L281 HydrophobicContact CD2-CG 4.29Å; Y249-L281 HydrophobicContact CE1-CB 3.85Å; Y249-L281 HydrophobicContact CE2-CB 4.22Å; Y249-L281 HydrophobicContact CE2-CD1 3.79Å; Y249-L281 HydrophobicContact CE2-CG 4.48Å; Y249-L281 HydrophobicContact CG-CB 4.17Å; Y249-L281 HydrophobicContact CG-CD1 4.19Å; Y249-L281 HydrophobicContact CG-CD2 3.93Å; Y249-L281 HydrophobicContact CG-CG 4.32Å; Y249-E284 WeakPolarHBondContact CE2-OE2 3.23Å; Y249-E284 PolarHBondContact OH-OE1 2.77Å; Y249-E284 PolarHBondContact OH-OE2 3.01Å; Y249-L391 VanDerWaalsContact CB-CD2 3.44Å; Y249-L391 HydrophobicContact CD2-CD2 3.59Å; Y249-L391 HydrophobicContact CG-CD2 4Å
250	L	89.6	Confident	88.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-42.5	177	-67.5	176.5	0	0	0	111.2	V246 A247 K253 F254 V261 I481	V246-L250 HydrophobicContact CG1-CD1 4.46Å; V246-L250 WeakPolarHBondContact O-CG 3.13Å; V246-L250 PolarHBondContact O-N 2.91Å; A247-L250 PolarHBondContact O-N 2.91Å; L250-K253 PolarHBondContact O-N 3.41Å; L250-F254 HydrophobicContact CD2-CD2 4.29Å; L250-F254 HydrophobicContact CD2-CE2 3.97Å; L250-F254 WeakPolarHBondContact O-CB 3.47Å; L250-F254 WeakPolarHBondContact O-CD2 3.41Å; L250-F254 PolarHBondContact O-N 3.25Å; L250-V261 HydrophobicContact CB-CG1 3.86Å; L250-V261 HydrophobicContact CB-CG2 3.99Å; L250-V261 HydrophobicContact CD1-CG1 3.84Å; L250-I481 HydrophobicContact CD2-CD1 3.81Å; L250-I481 HydrophobicContact CD2-CG1 4.48Å; L250-I481 HydrophobicContact CD2-CG2 4.31Å
251	A	91.6	Very high	89.3	Confident	12 Å²	12	48 Å²	48	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-53.2	174.3	0	0	0	0	0	111.6	A247 Y249 G255 L256 V261	A247-A251 WeakPolarHBondContact O-CB 3.29Å; A247-A251 PolarHBondContact O-N 3.16Å; Y249-A251 VanDerWaalsContact C-N 3.33Å; Y249-A251 PolarHBondContact O-N 3.07Å; A251-G255 CarbonylContact O-C 3.52Å; A251-G255 WeakPolarHBondContact O-CA 3.32Å; A251-G255 PolarHBondContact O-N 2.82Å; A251-L256 CarbonylContact C-O 3.47Å; A251-L256 VanDerWaalsContact CA-O 3.3Å; A251-L256 WeakPolarHBondContact CA-O 3.06Å; A251-L256 VanDerWaalsContact CB-O 3.26Å; A251-L256 WeakPolarHBondContact CB-O 3.22Å; A251-L256 PolarHBondContact O-N 3.26Å; A251-V261 HydrophobicContact CB-CG2 4.26Å
252	A	88.1	Confident	89.6	Confident	66 Å²	66	50.6 Å²	50.6	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-39.9	-179.7	0	0	0	0	0	113.6	T248 Y249 L391	T248-A252 WeakPolarHBondContact O-CB 3.15Å; T248-A252 PolarHBondContact O-N 3.24Å; Y249-A252 PolarHBondContact O-N 3.43Å; A252-L391 HydrophobicContact CB-CD1 4.08Å
253	K	86.2	Confident	89.8	Confident	77 Å²	77	48 Å²	48	34%	0.335	28%	0.279	S	S	.	.	H	α-helix	trans	-73	-36.1	-176.1	-177	170.5	177.2	178.1	0	113.1	Y249 L250 E284	Y249-K253 HydrophobicContact CE1-CD 4.13Å; Y249-K253 HydrophobicContact CE2-CD 3.94Å; Y249-K253 WeakPolarHBondContact O-CB 3.2Å; Y249-K253 PolarHBondContact O-N 2.93Å; Y249-K253 WeakPolarHBondContact OH-CD 3.34Å; Y249-K253 PolarHBondContact OH-NZ 2.85Å; L250-K253 PolarHBondContact O-N 3.41Å; K253-E284 IonicContact NZ-OE1 3.03Å; K253-E284 PolarHBondContact NZ-OE1 3.48Å
254	F	87.5	Confident	89.7	Confident	50 Å²	50	49.5 Å²	49.5	22%	0.219	29%	0.289	C	S	.	.	H	α-helix	trans	-104.7	3.5	-176.7	-65.8	-87.7	0	0	0	113.7	L250 L256 F478 I481 T482	L250-F254 HydrophobicContact CD2-CD2 4.29Å; L250-F254 HydrophobicContact CD2-CE2 3.97Å; L250-F254 WeakPolarHBondContact O-CB 3.47Å; L250-F254 WeakPolarHBondContact O-CD2 3.41Å; L250-F254 PolarHBondContact O-N 3.25Å; F254-L256 HydrophobicContact CB-CD1 4.01Å; F254-L256 HydrophobicContact CB-CG 3.99Å; F254-L256 PolarHBondContact O-N 3.21Å; F254-F478 AromaticContact CE1-CD1 3.92Å; F254-F478 HydrophobicContact CE1-CD1 3.92Å; F254-F478 AromaticContact CZ-CD1 3.86Å; F254-F478 HydrophobicContact CZ-CD1 3.86Å; F254-F478 HydrophobicContact CZ-CE1 4.13Å; F254-I481 HydrophobicContact CB-CG2 4.48Å; F254-I481 HydrophobicContact CD1-CG2 4.03Å; F254-I481 HydrophobicContact CD2-CB 4.48Å; F254-I481 HydrophobicContact CD2-CG2 3.5Å; F254-I481 HydrophobicContact CE1-CB 4.18Å; F254-I481 HydrophobicContact CE1-CG2 4.1Å; F254-I481 HydrophobicContact CE2-CB 4.16Å; F254-I481 HydrophobicContact CE2-CD1 3.77Å; F254-I481 HydrophobicContact CE2-CG2 3.6Å; F254-I481 HydrophobicContact CG-CG2 3.73Å; F254-I481 HydrophobicContact CZ-CB 3.99Å; F254-I481 HydrophobicContact CZ-CD1 3.74Å; F254-I481 HydrophobicContact CZ-CG1 4.48Å; F254-I481 HydrophobicContact CZ-CG2 3.9Å; F254-T482 HydrophobicContact CD1-CG2 4.28Å; F254-T482 HydrophobicContact CE1-CG2 4.17Å
255	G	88.2	Confident	89.4	Confident	72 Å²	72	50.6 Å²	50.6	74%	0.742	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	21.6	-178.7	0	0	0	0	0	114.1	A251	A251-G255 CarbonylContact O-C 3.52Å; A251-G255 WeakPolarHBondContact O-CA 3.32Å; A251-G255 PolarHBondContact O-N 2.82Å
256	L	90.2	Very high	88.8	Confident	18 Å²	18	51.6 Å²	51.6	9%	0.094	31%	0.314	C	S	.	.			trans	-92.4	160.8	-178.8	-61.5	175.3	0	0	0	111.1	A251 F254 V261 I484 T486	A251-L256 CarbonylContact C-O 3.47Å; A251-L256 VanDerWaalsContact CA-O 3.3Å; A251-L256 WeakPolarHBondContact CA-O 3.06Å; A251-L256 VanDerWaalsContact CB-O 3.26Å; A251-L256 WeakPolarHBondContact CB-O 3.22Å; A251-L256 PolarHBondContact O-N 3.26Å; F254-L256 HydrophobicContact CB-CD1 4.01Å; F254-L256 HydrophobicContact CB-CG 3.99Å; F254-L256 PolarHBondContact O-N 3.21Å; L256-V261 HydrophobicContact CB-CG2 4.05Å; L256-V261 HydrophobicContact CD1-CG2 4.12Å; L256-I484 HydrophobicContact CD1-CB 4.08Å; L256-I484 HydrophobicContact CD1-CD1 3.72Å; L256-I484 HydrophobicContact CD1-CG1 4.48Å; L256-I484 HydrophobicContact CD1-CG2 4.11Å; L256-I484 HydrophobicContact CD2-CG2 4.08Å; L256-T486 HydrophobicContact CD2-CG2 4.24Å
257	T	91.7	Very high	88.1	Confident	72 Å²	72	59.6 Å²	59.6	44%	0.442	36%	0.357	S	S	.	.			trans	-77.3	153.2	164.4	62.9	0	0	0	0	111	E259 Q260 V261	T257-E259 PolarHBondContact O-N 3.39Å; T257-Q260 PolarHBondContact O-N 2.95Å; T257-Q260 WeakPolarHBondContact OG1-CB 3.39Å; T257-Q260 VanDerWaalsContact OG1-CD 3.3Å; T257-Q260 VanDerWaalsContact OG1-CG 3.25Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.27Å; T257-Q260 PolarHBondContact OG1-N 3.41Å; T257-Q260 PolarHBondContact OG1-OE1 2.94Å; T257-V261 WeakPolarHBondContact O-CG2 3.29Å; T257-V261 PolarHBondContact O-N 3.17Å; T257-V261 VanDerWaalsContact O-N 3.11Å
258	M	89.2	Confident	87.5	Confident	75 Å²	75	61.8 Å²	61.8	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-30.4	173.4	-174.6	-176.6	178.3	0	0	112.2	D244 A247 L262	D244-M258 VanDerWaalsContact OD1-CE 3.31Å; D244-M258 WeakPolarHBondContact OD1-CE 3.29Å; A247-M258 HydrophobicContact CB-CE 4.36Å; A247-M258 HydrophobicContact CB-CG 4.26Å; M258-L262 HydrophobicContact CE-CD1 3.92Å; M258-L262 HydrophobicContact CG-CD1 3.99Å; M258-L262 WeakPolarHBondContact O-CB 2.93Å; M258-L262 VanDerWaalsContact O-CG 3.3Å; M258-L262 WeakPolarHBondContact O-CG 3.32Å; M258-L262 PolarHBondContact O-N 3.11Å; M258-L262 VanDerWaalsContact O-N 3.16Å
259	E	91.1	Very high	87.5	Confident	164 Å²	164	61.1 Å²	61.1	77%	0.766	36%	0.364	S	S	*	.	H	α-helix	trans	-65.3	-50.6	174.7	-176.4	165.8	-153.6	0	0	111.6	T257 V261 L262 D263	T257-E259 PolarHBondContact O-N 3.39Å; E259-V261 VanDerWaalsContact C-N 3.29Å; E259-V261 PolarHBondContact O-N 3.03Å; E259-L262 CarbonylContact O-C 3.46Å; E259-L262 PolarHBondContact O-N 2.67Å; E259-D263 PolarHBondContact O-N 3.45Å
260	Q	89.8	Confident	87.6	Confident	59 Å²	59	62.2 Å²	62.2	28%	0.276	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-37.7	174.9	-74.5	164.2	-52.8	0	0	112.7	T257 L262 I484	T257-Q260 PolarHBondContact O-N 2.95Å; T257-Q260 WeakPolarHBondContact OG1-CB 3.39Å; T257-Q260 VanDerWaalsContact OG1-CD 3.3Å; T257-Q260 VanDerWaalsContact OG1-CG 3.25Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.27Å; T257-Q260 PolarHBondContact OG1-N 3.41Å; T257-Q260 PolarHBondContact OG1-OE1 2.94Å; Q260-L262 VanDerWaalsContact C-N 3.27Å; Q260-L262 PolarHBondContact O-N 3.47Å; Q260-I484 HydrophobicContact CB-CG2 3.96Å
261	V	89.2	Confident	87.7	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-32.7	175.1	172.5	0	0	0	0	111.9	A247 L250 A251 L256 T257 E259 R273	A247-V261 HydrophobicContact CB-CG1 4.14Å; L250-V261 HydrophobicContact CB-CG1 3.86Å; L250-V261 HydrophobicContact CB-CG2 3.99Å; L250-V261 HydrophobicContact CD1-CG1 3.84Å; A251-V261 HydrophobicContact CB-CG2 4.26Å; L256-V261 HydrophobicContact CB-CG2 4.05Å; L256-V261 HydrophobicContact CD1-CG2 4.12Å; T257-V261 WeakPolarHBondContact O-CG2 3.29Å; T257-V261 PolarHBondContact O-N 3.17Å; T257-V261 VanDerWaalsContact O-N 3.11Å; E259-V261 VanDerWaalsContact C-N 3.29Å; E259-V261 PolarHBondContact O-N 3.03Å; V261-R273 PolarHBondContact O-NE 3.18Å; V261-R273 PolarHBondContact O-NH2 3.45Å
262	L	90.4	Very high	87.7	Confident	63 Å²	63	62.3 Å²	62.3	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	-100	-2.8	-175.3	-66.4	176.7	0	0	0	114.9	A247 M258 E259 Q260 P264 V270 L274	A247-L262 HydrophobicContact CB-CD1 4.22Å; A247-L262 HydrophobicContact CB-CD2 3.96Å; A247-L262 HydrophobicContact CB-CG 4.11Å; M258-L262 HydrophobicContact CE-CD1 3.92Å; M258-L262 HydrophobicContact CG-CD1 3.99Å; M258-L262 WeakPolarHBondContact O-CB 2.93Å; M258-L262 VanDerWaalsContact O-CG 3.3Å; M258-L262 WeakPolarHBondContact O-CG 3.32Å; M258-L262 PolarHBondContact O-N 3.11Å; M258-L262 VanDerWaalsContact O-N 3.16Å; E259-L262 CarbonylContact O-C 3.46Å; E259-L262 PolarHBondContact O-N 2.67Å; Q260-L262 VanDerWaalsContact C-N 3.27Å; Q260-L262 PolarHBondContact O-N 3.47Å; L262-P264 WeakPolarHBondContact O-CD 3.35Å; L262-V270 HydrophobicContact CD2-CG1 3.85Å; L262-V270 WeakPolarHBondContact O-CG2 3.27Å; L262-L274 HydrophobicContact CD2-CD1 3.92Å; L262-L274 HydrophobicContact CD2-CD2 4.15Å; L262-L274 HydrophobicContact CD2-CG 4.4Å
263	D	90.3	Very high	87.9	Confident	59 Å²	59	59.7 Å²	59.7	32%	0.316	35%	0.348	S	S	.	.			trans	-59.1	119.2	-178.9	170.9	36.5	0	0	0	112.4	E259 S265 G266 V270 R273	E259-D263 PolarHBondContact O-N 3.45Å; D263-S265 PolarHBondContact O-N 2.77Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 3.25Å; D263-S265 PolarHBondContact OD1-OG 3.07Å; D263-S265 WeakPolarHBondContact OD2-CB 3.4Å; D263-G266 PolarHBondContact OD2-N 2.76Å; D263-V270 WeakPolarHBondContact O-CG2 2.99Å; D263-R273 PolarHBondContact O-NH1 3.11Å; D263-R273 PolarHBondContact O-NH2 2.97Å
264	P	87.7	Confident	88.2	Confident	110 Å²	110	57.3 Å²	57.3	71%	0.714	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-9	176.9	32.8	-37.3	0	0	0	114	L262 V270	L262-P264 WeakPolarHBondContact O-CD 3.35Å; P264-V270 HydrophobicContact CB-CG2 4.35Å
265	S	84.8	Confident	88.4	Confident	98 Å²	98	55 Å²	55	69%	0.685	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-21.6	-174.9	-38.3	0	0	0	0	113.5	D263	D263-S265 PolarHBondContact O-N 2.77Å; D263-S265 WeakPolarHBondContact OD1-CB 3.41Å; D263-S265 PolarHBondContact OD1-N 3.25Å; D263-S265 PolarHBondContact OD1-OG 3.07Å; D263-S265 WeakPolarHBondContact OD2-CB 3.4Å
266	G	75.8	Confident	88.5	Confident	33 Å²	33	53 Å²	53	34%	0.34	30%	0.3	S	S	.	.	S	Bend	trans	-71.7	155.3	179.4	0	0	0	0	0	115.1	D263 K268	D263-G266 PolarHBondContact OD2-N 2.76Å; G266-K268 PolarHBondContact O-N 2.75Å
267	N	76	Confident	88.5	Confident	168 Å²	168	52.1 Å²	52.1	90%	0.898	30%	0.295	S	S	*	.	S	Bend	trans	-56.8	-7.4	-170.4	-64.3	-8.6	0	0	0	118
268	K	80.7	Confident	88.4	Confident	46 Å²	46	49.1 Å²	49.1	20%	0.2	28%	0.276	C	S	.	.	S	Bend	trans	-137	134.1	-172.3	-61.9	174.8	-176.8	171.4	0	109.4	G266 V270 R273 E479 L480	G266-K268 PolarHBondContact O-N 2.75Å; K268-V270 PolarHBondContact O-N 2.96Å; K268-R273 PolarHBondContact O-NH1 2.77Å; K268-E479 PolarHBondContact NZ-O 3.02Å; K268-L480 HydrophobicContact CD-CG 4.09Å
269	S	89.9	Confident	88.5	Confident	31 Å²	31	46.2 Å²	46.2	22%	0.217	26%	0.263	C	S	.	.			trans	-56.8	132.2	-173.1	174.3	0	0	0	0	112.4	A271 V272 R273 E629 E632	S269-A271 PolarHBondContact O-N 3.34Å; S269-A271 VanDerWaalsContact O-N 3.14Å; S269-A271 PolarHBondContact OG-N 3.07Å; S269-V272 WeakPolarHBondContact O-CA 3.41Å; S269-V272 WeakPolarHBondContact O-CB 3.47Å; S269-V272 PolarHBondContact O-N 2.88Å; S269-R273 PolarHBondContact O-N 3.25Å; S269-E629 PolarHBondContact OG-OE1 2.85Å; S269-E632 PolarHBondContact N-OE2 3.46Å
270	V	91.6	Very high	88.4	Confident	30 Å²	30	40.1 Å²	40.1	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-52.7	-37.2	176.3	-175.6	0	0	0	0	111.3	L262 D263 P264 K268 V272 R273 L274	L262-V270 HydrophobicContact CD2-CG1 3.85Å; L262-V270 WeakPolarHBondContact O-CG2 3.27Å; D263-V270 WeakPolarHBondContact O-CG2 2.99Å; P264-V270 HydrophobicContact CB-CG2 4.35Å; K268-V270 PolarHBondContact O-N 2.96Å; V270-V272 VanDerWaalsContact C-N 3.3Å; V270-V272 PolarHBondContact O-N 3.13Å; V270-R273 PolarHBondContact O-N 3.35Å; V270-L274 HydrophobicContact CG1-CD1 4.05Å; V270-L274 HydrophobicContact CG1-CG 4.44Å; V270-L274 WeakPolarHBondContact O-CB 3.39Å; V270-L274 VanDerWaalsContact O-CG 3.29Å; V270-L274 WeakPolarHBondContact O-CG 3.49Å; V270-L274 PolarHBondContact O-N 2.89Å
271	A	92.1	Very high	88.4	Confident	15 Å²	15	37.7 Å²	37.7	12%	0.124	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-34.8	177.9	0	0	0	0	0	112.8	S269 A275 L680 L681	S269-A271 PolarHBondContact O-N 3.34Å; S269-A271 VanDerWaalsContact O-N 3.14Å; S269-A271 PolarHBondContact OG-N 3.07Å; A271-A275 WeakPolarHBondContact O-CB 3.3Å; A271-A275 PolarHBondContact O-N 3.21Å; A271-L680 HydrophobicContact CB-CD1 4.17Å; A271-L681 HydrophobicContact CB-CD2 3.45Å; A271-L681 VanDerWaalsContact CB-CD2 3.45Å; A271-L681 HydrophobicContact CB-CG 3.98Å
272	V	92.3	Very high	88.4	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-79	-38.5	178.1	179.3	0	0	0	0	111	S269 V270 L274 A275 H276 E629 E632 L633 L680	S269-V272 WeakPolarHBondContact O-CA 3.41Å; S269-V272 WeakPolarHBondContact O-CB 3.47Å; S269-V272 PolarHBondContact O-N 2.88Å; V270-V272 VanDerWaalsContact C-N 3.3Å; V270-V272 PolarHBondContact O-N 3.13Å; V272-L274 VanDerWaalsContact C-N 3.31Å; V272-L274 PolarHBondContact O-N 3.19Å; V272-A275 PolarHBondContact O-N 2.8Å; V272-H276 PolarHBondContact O-N 3.31Å; V272-H276 VanDerWaalsContact O-N 3.09Å; V272-H276 PolarHBondContact O-ND1 2.86Å; V272-E629 HydrophobicContact CG2-CB 3.76Å; V272-E629 HydrophobicContact CG2-CG 4.06Å; V272-E629 WeakPolarHBondContact CG2-O 3.38Å; V272-E632 HydrophobicContact CB-CB 4.44Å; V272-E632 HydrophobicContact CG1-CB 3.92Å; V272-E632 HydrophobicContact CG2-CB 4.2Å; V272-L633 HydrophobicContact CG1-CB 4.24Å; V272-L633 HydrophobicContact CG1-CD1 4.36Å; V272-L680 HydrophobicContact CG2-CD1 4.36Å
273	R	91.4	Very high	88.2	Confident	12 Å²	12	37.8 Å²	37.8	5%	0.045	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-43.7	172.3	-58.4	-162.8	-55.6	-115.1	19.4	111.1	V261 D263 K268 S269 V270 G277	V261-R273 PolarHBondContact O-NE 3.18Å; V261-R273 PolarHBondContact O-NH2 3.45Å; D263-R273 PolarHBondContact O-NH1 3.11Å; D263-R273 PolarHBondContact O-NH2 2.97Å; K268-R273 PolarHBondContact O-NH1 2.77Å; S269-R273 PolarHBondContact O-N 3.25Å; V270-R273 PolarHBondContact O-N 3.35Å; R273-G277 PolarHBondContact O-N 3.33Å
274	L	92.4	Very high	88.2	Confident	27 Å²	27	39 Å²	39	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-37.4	176.3	-67.2	172.4	0	0	0	113.2	P243 V246 A247 L262 V270 V272 G277 E278	P243-L274 HydrophobicContact CB-CD1 4.19Å; V246-L274 HydrophobicContact CB-CD2 4.49Å; V246-L274 HydrophobicContact CG1-CD2 4.16Å; V246-L274 WeakPolarHBondContact CG1-O 3.16Å; A247-L274 HydrophobicContact CB-CD2 3.91Å; L262-L274 HydrophobicContact CD2-CD1 3.92Å; L262-L274 HydrophobicContact CD2-CD2 4.15Å; L262-L274 HydrophobicContact CD2-CG 4.4Å; V270-L274 HydrophobicContact CG1-CD1 4.05Å; V270-L274 HydrophobicContact CG1-CG 4.44Å; V270-L274 WeakPolarHBondContact O-CB 3.39Å; V270-L274 VanDerWaalsContact O-CG 3.29Å; V270-L274 WeakPolarHBondContact O-CG 3.49Å; V270-L274 PolarHBondContact O-N 2.89Å; V272-L274 VanDerWaalsContact C-N 3.31Å; V272-L274 PolarHBondContact O-N 3.19Å; L274-G277 PolarHBondContact O-N 2.69Å; L274-E278 WeakPolarHBondContact O-CB 3.32Å; L274-E278 PolarHBondContact O-N 2.85Å
275	A	92.1	Very high	88.2	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-39	176.8	0	0	0	0	0	112.6	A271 V272 T279 L633 L680	A271-A275 WeakPolarHBondContact O-CB 3.3Å; A271-A275 PolarHBondContact O-N 3.21Å; V272-A275 PolarHBondContact O-N 2.8Å; A275-T279 PolarHBondContact O-N 3.37Å; A275-T279 VanDerWaalsContact O-N 3.14Å; A275-T279 PolarHBondContact O-OG1 2.78Å; A275-L633 HydrophobicContact CB-CD1 3.9Å; A275-L680 HydrophobicContact CB-CD1 4.48Å
276	H	90.1	Very high	88.4	Confident	30 Å²	30	31.4 Å²	31.4	14%	0.139	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-46.5	172	-72.5	101.5	0	0	0	112	V272 E278 T279 Q280 L480 L633 P636	V272-H276 PolarHBondContact O-N 3.31Å; V272-H276 VanDerWaalsContact O-N 3.09Å; V272-H276 PolarHBondContact O-ND1 2.86Å; H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact O-N 3.47Å; H276-T279 WeakPolarHBondContact O-CB 3.43Å; H276-T279 PolarHBondContact O-N 3.19Å; H276-T279 VanDerWaalsContact O-N 3.12Å; H276-Q280 PolarHBondContact O-N 2.93Å; H276-L480 WeakPolarHBondContact CE1-CD2 3.17Å; H276-L633 PolarHBondContact NE2-O 2.83Å; H276-P636 WeakPolarHBondContact NE2-CG 3.35Å
277	G	90.5	Very high	89.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-37.6	176.9	0	0	0	0	0	113.4	V246 R273 L274 L281	V246-G277 VanDerWaalsContact CG1-C 3.43Å; R273-G277 PolarHBondContact O-N 3.33Å; L274-G277 PolarHBondContact O-N 2.69Å; G277-L281 VanDerWaalsContact O-CB 3.29Å; G277-L281 WeakPolarHBondContact O-CB 3.23Å; G277-L281 PolarHBondContact O-N 3.29Å
278	E	89.8	Confident	89.9	Confident	8 Å²	8	25.5 Å²	25.5	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-48.5	173.3	-172.9	-174.2	-156.5	0	0	110.3	I241 V246 L274 H276 Q280 L281 V282 H679	I241-E278 HydrophobicContact CB-CG 4.49Å; I241-E278 HydrophobicContact CD1-CG 4.48Å; I241-E278 HydrophobicContact CG1-CG 4.46Å; V246-E278 HydrophobicContact CG1-CB 4.39Å; V246-E278 VanDerWaalsContact CG1-N 3.31Å; V246-E278 HydrophobicContact CG2-CB 3.94Å; V246-E278 HydrophobicContact CG2-CG 4.24Å; L274-E278 WeakPolarHBondContact O-CB 3.32Å; L274-E278 PolarHBondContact O-N 2.85Å; H276-E278 VanDerWaalsContact C-N 3.29Å; H276-E278 PolarHBondContact O-N 3.47Å; E278-Q280 VanDerWaalsContact C-N 3.34Å; E278-Q280 PolarHBondContact O-N 2.89Å; E278-L281 PolarHBondContact O-N 2.94Å; E278-V282 HydrophobicContact CG-CG2 4.21Å; E278-V282 WeakPolarHBondContact O-CB 3.32Å; E278-V282 VanDerWaalsContact O-CG2 3.28Å; E278-V282 WeakPolarHBondContact O-CG2 3.14Å; E278-V282 PolarHBondContact O-N 2.75Å; E278-H679 IonicContact OE1-CE1 2.58Å; E278-H679 PolarHBondContact OE1-CE1 2.94Å; E278-H679 IonicContact OE1-CG 3.13Å; E278-H679 IonicContact OE1-ND1 2.65Å; E278-H679 PolarHBondContact OE1-ND1 3.43Å; E278-H679 VanDerWaalsContact OE2-CB 3.3Å; E278-H679 WeakPolarHBondContact OE2-CB 3.48Å; E278-H679 IonicContact OE2-CG 2.8Å; E278-H679 PolarHBondContact OE2-N 3.16Å; E278-H679 IonicContact OE2-ND1 3.86Å; E278-H679 PolarHBondContact OE2-ND1 2.71Å
279	T	89.5	Confident	90.3	Very high	15 Å²	15	23.7 Å²	23.7	9%	0.092	14%	0.139	C	C	.	.	H	α-helix	trans	-58.3	-46.6	-179.3	-54.7	0	0	0	0	111.4	A275 H276 V282 A283 T673 L674 T678	A275-T279 PolarHBondContact O-N 3.37Å; A275-T279 VanDerWaalsContact O-N 3.14Å; A275-T279 PolarHBondContact O-OG1 2.78Å; H276-T279 WeakPolarHBondContact O-CB 3.43Å; H276-T279 PolarHBondContact O-N 3.19Å; H276-T279 VanDerWaalsContact O-N 3.12Å; T279-V282 PolarHBondContact O-N 2.76Å; T279-A283 WeakPolarHBondContact O-CB 3.28Å; T279-A283 PolarHBondContact O-N 3.03Å; T279-T673 HydrophobicContact CG2-CG2 4.2Å; T279-T673 VanDerWaalsContact CG2-O 3.26Å; T279-T673 WeakPolarHBondContact CG2-O 3.47Å; T279-L674 HydrophobicContact CG2-CD2 4.22Å; T279-T678 WeakPolarHBondContact OG1-CG2 3.46Å
280	Q	89.6	Confident	90.3	Very high	35 Å²	35	29.5 Å²	29.5	16%	0.164	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-44.8	179.5	-164.8	176.4	69.1	0	0	111.9	Y249 H276 E278 A283 E284	Y249-Q280 PolarHBondContact OH-OE1 3.44Å; H276-Q280 PolarHBondContact O-N 2.93Å; E278-Q280 VanDerWaalsContact C-N 3.34Å; E278-Q280 PolarHBondContact O-N 2.89Å; Q280-A283 PolarHBondContact O-N 3.03Å; Q280-E284 PolarHBondContact O-N 2.66Å
281	L	89.7	Confident	90.3	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-37.8	176.1	176.6	56.9	0	0	0	112.4	I241 V246 Y249 G277 E278 M285 I393	I241-L281 HydrophobicContact CD1-CB 4.05Å; I241-L281 HydrophobicContact CD1-CD2 3.44Å; I241-L281 VanDerWaalsContact CD1-CD2 3.44Å; I241-L281 HydrophobicContact CD1-CG 3.48Å; I241-L281 VanDerWaalsContact CD1-CG 3.48Å; I241-L281 HydrophobicContact CG2-CD2 4.15Å; V246-L281 HydrophobicContact CG2-CD2 4.46Å; Y249-L281 HydrophobicContact CD1-CB 3.95Å; Y249-L281 HydrophobicContact CD1-CD2 4.35Å; Y249-L281 HydrophobicContact CD2-CB 4.32Å; Y249-L281 HydrophobicContact CD2-CD1 3.69Å; Y249-L281 HydrophobicContact CD2-CD2 4.26Å; Y249-L281 HydrophobicContact CD2-CG 4.29Å; Y249-L281 HydrophobicContact CE1-CB 3.85Å; Y249-L281 HydrophobicContact CE2-CB 4.22Å; Y249-L281 HydrophobicContact CE2-CD1 3.79Å; Y249-L281 HydrophobicContact CE2-CG 4.48Å; Y249-L281 HydrophobicContact CG-CB 4.17Å; Y249-L281 HydrophobicContact CG-CD1 4.19Å; Y249-L281 HydrophobicContact CG-CD2 3.93Å; Y249-L281 HydrophobicContact CG-CG 4.32Å; G277-L281 VanDerWaalsContact O-CB 3.29Å; G277-L281 WeakPolarHBondContact O-CB 3.23Å; G277-L281 PolarHBondContact O-N 3.29Å; E278-L281 PolarHBondContact O-N 2.94Å; L281-M285 HydrophobicContact CD1-CG 4.19Å; L281-M285 WeakPolarHBondContact O-CB 3.36Å; L281-M285 WeakPolarHBondContact O-CG 3.25Å; L281-M285 PolarHBondContact O-N 2.72Å; L281-I393 HydrophobicContact CD2-CD1 3.77Å
282	V	88.7	Confident	90.3	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.036	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-40.8	173.3	171.4	0	0	0	0	110.8	L239 I241 E278 T279 M285 K286	L239-V282 HydrophobicContact CB-CG1 4.21Å; L239-V282 HydrophobicContact CD1-CG1 4.29Å; L239-V282 WeakPolarHBondContact O-CG2 3.43Å; I241-V282 HydrophobicContact CD1-CG2 3.72Å; I241-V282 HydrophobicContact CG1-CG2 4.1Å; E278-V282 HydrophobicContact CG-CG2 4.21Å; E278-V282 WeakPolarHBondContact O-CB 3.32Å; E278-V282 VanDerWaalsContact O-CG2 3.28Å; E278-V282 WeakPolarHBondContact O-CG2 3.14Å; E278-V282 PolarHBondContact O-N 2.75Å; T279-V282 PolarHBondContact O-N 2.76Å; V282-M285 HydrophobicContact CG2-CE 4.47Å; V282-M285 PolarHBondContact O-N 3.12Å; V282-K286 HydrophobicContact CG1-CD 4.35Å; V282-K286 HydrophobicContact CG1-CG 4.33Å; V282-K286 WeakPolarHBondContact O-CB 3.48Å; V282-K286 WeakPolarHBondContact O-CG 3.07Å; V282-K286 PolarHBondContact O-N 3.02Å
283	A	87.9	Confident	90	Very high	60 Å²	60	37.3 Å²	37.3	50%	0.496	20%	0.204	S	C	.	.	H	α-helix	trans	-62.8	-46.5	176.1	0	0	0	0	0	111.9	T279 Q280 K286 G287	T279-A283 WeakPolarHBondContact O-CB 3.28Å; T279-A283 PolarHBondContact O-N 3.03Å; Q280-A283 PolarHBondContact O-N 3.03Å; A283-K286 PolarHBondContact O-N 3.43Å; A283-G287 PolarHBondContact O-N 2.89Å
284	E	88.7	Confident	89.9	Confident	85 Å²	85	37 Å²	37	40%	0.397	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-44.2	175.9	-75.2	174.8	-176.3	0	0	112.2	Y249 K253 Q280 G287 F288	Y249-E284 WeakPolarHBondContact CE2-OE2 3.23Å; Y249-E284 PolarHBondContact OH-OE1 2.77Å; Y249-E284 PolarHBondContact OH-OE2 3.01Å; K253-E284 IonicContact NZ-OE1 3.03Å; K253-E284 PolarHBondContact NZ-OE1 3.48Å; Q280-E284 PolarHBondContact O-N 2.66Å; E284-G287 PolarHBondContact O-N 3.08Å; E284-F288 WeakPolarHBondContact O-CB 3.29Å; E284-F288 PolarHBondContact O-N 3.41Å
285	M	89.3	Confident	89.5	Confident	7 Å²	7	41.7 Å²	41.7	3%	0.034	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-42.4	173.9	-74.6	-165.2	-52.3	0	0	112.2	I241 L281 V282 G287 F288 F289 P389 T394	I241-M285 HydrophobicContact CD1-CE 3.44Å; I241-M285 VanDerWaalsContact CD1-CE 3.44Å; I241-M285 HydrophobicContact CG1-CE 3.98Å; L281-M285 HydrophobicContact CD1-CG 4.19Å; L281-M285 WeakPolarHBondContact O-CB 3.36Å; L281-M285 WeakPolarHBondContact O-CG 3.25Å; L281-M285 PolarHBondContact O-N 2.72Å; V282-M285 HydrophobicContact CG2-CE 4.47Å; V282-M285 PolarHBondContact O-N 3.12Å; M285-G287 VanDerWaalsContact C-N 3.34Å; M285-G287 PolarHBondContact O-N 3.04Å; M285-F288 PolarHBondContact O-N 3.33Å; M285-F289 HydrophobicContact CB-CD2 4.24Å; M285-F289 HydrophobicContact CB-CE2 4.01Å; M285-F289 WeakPolarHBondContact O-CB 3.43Å; M285-F289 WeakPolarHBondContact O-CD2 3.42Å; M285-F289 VanDerWaalsContact O-CG 3.29Å; M285-F289 WeakPolarHBondContact O-CG 3.22Å; M285-F289 PolarHBondContact O-N 2.71Å; M285-F289 HydrophobicContact SD-CE2 4.5Å; M285-P389 HydrophobicContact CG-CB 4.14Å; M285-P389 HydrophobicContact CG-CG 4.16Å; M285-P389 HydrophobicContact SD-CG 4.44Å; M285-T394 HydrophobicContact SD-CG2 4.28Å
286	K	88.2	Confident	89	Confident	41 Å²	41	43.1 Å²	43.1	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-58.4	-46.6	174.5	-82.7	-169.4	167.6	-164.2	0	110.7	L239 V282 A283 K290 L296 E300	L239-K286 HydrophobicContact CD1-CD 4.04Å; L239-K286 HydrophobicContact CD1-CG 3.62Å; V282-K286 HydrophobicContact CG1-CD 4.35Å; V282-K286 HydrophobicContact CG1-CG 4.33Å; V282-K286 WeakPolarHBondContact O-CB 3.48Å; V282-K286 WeakPolarHBondContact O-CG 3.07Å; V282-K286 PolarHBondContact O-N 3.02Å; A283-K286 PolarHBondContact O-N 3.43Å; K286-K290 VanDerWaalsContact O-CB 3.26Å; K286-K290 WeakPolarHBondContact O-CB 3.35Å; K286-K290 PolarHBondContact O-N 2.89Å; K286-L296 HydrophobicContact CB-CD1 3.69Å; K286-L296 HydrophobicContact CD-CD1 4.12Å; K286-L296 HydrophobicContact CG-CD1 3.77Å; K286-L296 HydrophobicContact CG-CD2 4.21Å; K286-E300 IonicContact NZ-OE1 3.62Å; K286-E300 PolarHBondContact NZ-OE1 2.91Å
287	G	90.5	Very high	88.5	Confident	35 Å²	35	47.5 Å²	47.5	36%	0.361	25%	0.247	S	C	.	.	H	α-helix	trans	-57.7	-53.5	175	0	0	0	0	0	112.3	A283 E284 M285 F289 K290 T291	A283-G287 PolarHBondContact O-N 2.89Å; E284-G287 PolarHBondContact O-N 3.08Å; M285-G287 VanDerWaalsContact C-N 3.34Å; M285-G287 PolarHBondContact O-N 3.04Å; G287-F289 PolarHBondContact O-N 3.49Å; G287-K290 PolarHBondContact O-N 2.96Å; G287-T291 PolarHBondContact O-N 2.88Å; G287-T291 PolarHBondContact O-OG1 3.2Å
288	F	92.1	Very high	87.8	Confident	43 Å²	43	48.2 Å²	48.2	19%	0.189	25%	0.252	C	S	.	.	H	α-helix	trans	-55.6	-49.3	178.1	178.9	-90.8	0	0	0	112.5	E284 M285 T291 H292 L387 V388 P389 P390	E284-F288 WeakPolarHBondContact O-CB 3.29Å; E284-F288 PolarHBondContact O-N 3.41Å; M285-F288 PolarHBondContact O-N 3.33Å; F288-T291 PolarHBondContact O-N 3.24Å; F288-H292 AromaticContact CD1-ND1 3.92Å; F288-H292 AromaticContact CD2-CE1 3.65Å; F288-H292 AromaticContact CD2-ND1 3.8Å; F288-H292 AromaticContact CE1-ND1 3.77Å; F288-H292 AromaticContact CE2-CE1 3.23Å; F288-H292 WeakPolarHBondContact CE2-CE1 3.26Å; F288-H292 AromaticContact CE2-ND1 3.66Å; F288-H292 AromaticContact CG-ND1 3.93Å; F288-H292 AromaticContact CZ-CE1 3.47Å; F288-H292 VanDerWaalsContact CZ-CE1 3.47Å; F288-H292 WeakPolarHBondContact CZ-CE1 3.21Å; F288-H292 AromaticContact CZ-ND1 3.63Å; F288-H292 PolarHBondContact O-N 2.84Å; F288-H292 VanDerWaalsContact O-N 3.08Å; F288-H292 PolarHBondContact O-ND1 3.03Å; F288-L387 HydrophobicContact CE1-CB 4.44Å; F288-V388 WeakPolarHBondContact CZ-O 3.35Å; F288-P389 HydrophobicContact CD1-CB 3.92Å; F288-P389 HydrophobicContact CD1-CG 3.81Å; F288-P389 HydrophobicContact CE1-CB 4.25Å; F288-P389 HydrophobicContact CE1-CG 4.05Å; F288-P389 HydrophobicContact CG-CB 4.19Å; F288-P390 HydrophobicContact CD2-CG 4.38Å
289	F	90.1	Very high	86.9	Confident	7 Å²	7	48.6 Å²	48.6	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-40.3	-179.9	-70	-42	0	0	0	112.2	L239 M285 G287 T291 H292 G293 V294 L296 P389 I396	L239-F289 HydrophobicContact CD2-CD2 4.2Å; L239-F289 HydrophobicContact CD2-CE2 4.09Å; M285-F289 HydrophobicContact CB-CD2 4.24Å; M285-F289 HydrophobicContact CB-CE2 4.01Å; M285-F289 WeakPolarHBondContact O-CB 3.43Å; M285-F289 WeakPolarHBondContact O-CD2 3.42Å; M285-F289 VanDerWaalsContact O-CG 3.29Å; M285-F289 WeakPolarHBondContact O-CG 3.22Å; M285-F289 PolarHBondContact O-N 2.71Å; M285-F289 HydrophobicContact SD-CE2 4.5Å; G287-F289 PolarHBondContact O-N 3.49Å; F289-T291 PolarHBondContact O-N 3.34Å; F289-H292 CarbonylContact O-C 3.46Å; F289-H292 PolarHBondContact O-N 2.97Å; F289-G293 PolarHBondContact O-N 3.23Å; F289-V294 HydrophobicContact CB-CB 3.9Å; F289-V294 HydrophobicContact CB-CG1 4.32Å; F289-V294 HydrophobicContact CB-CG2 3.99Å; F289-V294 HydrophobicContact CD1-CG2 4.27Å; F289-V294 HydrophobicContact CG-CG2 4.48Å; F289-V294 VanDerWaalsContact O-CB 3.25Å; F289-V294 WeakPolarHBondContact O-CB 3.49Å; F289-V294 WeakPolarHBondContact O-CG2 3.38Å; F289-V294 PolarHBondContact O-N 2.93Å; F289-L296 HydrophobicContact CB-CD2 4.14Å; F289-P389 HydrophobicContact CE1-CG 3.69Å; F289-P389 HydrophobicContact CE2-CG 4.27Å; F289-P389 HydrophobicContact CZ-CG 3.51Å; F289-I396 HydrophobicContact CD1-CD1 3.66Å; F289-I396 HydrophobicContact CE1-CD1 3.51Å; F289-I396 HydrophobicContact CE1-CG1 3.98Å; F289-I396 HydrophobicContact CG-CD1 4.34Å; F289-I396 HydrophobicContact CZ-CD1 4.07Å; F289-I396 HydrophobicContact CZ-CG1 4.35Å
290	K	90.3	Very high	85.9	Confident	153 Å²	153	51.3 Å²	51.3	67%	0.665	27%	0.266	S	S	*	.	H	α-helix	trans	-59.2	-45.2	175.6	-174.3	180	-179.5	-177.7	0	111.4	K286 G287 H292 G293 L296	K286-K290 VanDerWaalsContact O-CB 3.26Å; K286-K290 WeakPolarHBondContact O-CB 3.35Å; K286-K290 PolarHBondContact O-N 2.89Å; G287-K290 PolarHBondContact O-N 2.96Å; K290-H292 PolarHBondContact O-N 3.45Å; K290-G293 PolarHBondContact O-N 3Å; K290-L296 HydrophobicContact CB-CD1 4.39Å
291	T	91.7	Very high	84.4	Confident	121 Å²	121	55.2 Å²	55.2	74%	0.742	28%	0.282	S	S	*	.	H	α-helix	trans	-62.1	-40.7	176	-60.1	0	0	0	0	112.1	G287 F288 F289 G293	G287-T291 PolarHBondContact O-N 2.88Å; G287-T291 PolarHBondContact O-OG1 3.2Å; F288-T291 PolarHBondContact O-N 3.24Å; F289-T291 PolarHBondContact O-N 3.34Å; T291-G293 PolarHBondContact O-N 3.27Å
292	H	90.5	Very high	82.7	Confident	79 Å²	79	56.8 Å²	56.8	37%	0.366	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	16.3	177.9	-67.7	86.8	0	0	0	114.8	F288 F289 K290 R385 L387	F288-H292 AromaticContact CD1-ND1 3.92Å; F288-H292 AromaticContact CD2-CE1 3.65Å; F288-H292 AromaticContact CD2-ND1 3.8Å; F288-H292 AromaticContact CE1-ND1 3.77Å; F288-H292 AromaticContact CE2-CE1 3.23Å; F288-H292 WeakPolarHBondContact CE2-CE1 3.26Å; F288-H292 AromaticContact CE2-ND1 3.66Å; F288-H292 AromaticContact CG-ND1 3.93Å; F288-H292 AromaticContact CZ-CE1 3.47Å; F288-H292 VanDerWaalsContact CZ-CE1 3.47Å; F288-H292 WeakPolarHBondContact CZ-CE1 3.21Å; F288-H292 AromaticContact CZ-ND1 3.63Å; F288-H292 PolarHBondContact O-N 2.84Å; F288-H292 VanDerWaalsContact O-N 3.08Å; F288-H292 PolarHBondContact O-ND1 3.03Å; F289-H292 CarbonylContact O-C 3.46Å; F289-H292 PolarHBondContact O-N 2.97Å; K290-H292 PolarHBondContact O-N 3.45Å; H292-R385 PolarHBondContact O-NH1 3.13Å; H292-L387 HydrophobicContact CB-CD1 3.8Å; H292-L387 HydrophobicContact CB-CD2 3.81Å; H292-L387 HydrophobicContact CB-CG 4.43Å
293	G	87.6	Confident	80.7	Confident	11 Å²	11	60.5 Å²	60.5	11%	0.113	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	25.6	171.9	0	0	0	0	0	115.1	F289 K290 T291 K433	F289-G293 PolarHBondContact O-N 3.23Å; K290-G293 PolarHBondContact O-N 3Å; T291-G293 PolarHBondContact O-N 3.27Å; G293-K433 WeakPolarHBondContact O-CG 3.36Å; G293-K433 PolarHBondContact O-N 3.08Å; G293-K433 VanDerWaalsContact O-N 3.09Å
294	V	87.8	Confident	78.6	Confident	6 Å²	6	63.7 Å²	63.7	4%	0.036	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-91.6	130.2	172.5	-172.2	0	0	0	0	109.3	F289 L296 F299 L387 I396 A431 L432	F289-V294 HydrophobicContact CB-CB 3.9Å; F289-V294 HydrophobicContact CB-CG1 4.32Å; F289-V294 HydrophobicContact CB-CG2 3.99Å; F289-V294 HydrophobicContact CD1-CG2 4.27Å; F289-V294 HydrophobicContact CG-CG2 4.48Å; F289-V294 VanDerWaalsContact O-CB 3.25Å; F289-V294 WeakPolarHBondContact O-CB 3.49Å; F289-V294 WeakPolarHBondContact O-CG2 3.38Å; F289-V294 PolarHBondContact O-N 2.93Å; V294-L296 PolarHBondContact O-N 3.04Å; V294-F299 HydrophobicContact CG1-CE2 3.71Å; V294-F299 HydrophobicContact CG1-CZ 4.19Å; V294-L387 HydrophobicContact CG2-CD1 3.89Å; V294-I396 HydrophobicContact CG1-CD1 4.25Å; V294-I396 HydrophobicContact CG2-CD1 4.03Å; V294-A431 CarbonylContact C-O 3.59Å; V294-A431 WeakPolarHBondContact CA-O 3.01Å; V294-A431 WeakPolarHBondContact CG1-O 3.2Å; V294-L432 HydrophobicContact CG1-CD2 4.37Å; V294-L432 HydrophobicContact CG2-CD2 3.96Å
295	R	85.7	Confident	76.4	Confident	125 Å²	125	65.9 Å²	65.9	47%	0.472	33%	0.328	S	S	.	.			trans	-87.6	99.8	176.4	-73.5	-172.1	-75.2	-152.4	-6.5	110.5	E297 A298 G430 A431 L432	R295-E297 VanDerWaalsContact C-N 3.31Å; R295-E297 PolarHBondContact O-N 3.05Å; R295-A298 WeakPolarHBondContact O-CB 3.37Å; R295-A298 PolarHBondContact O-N 3.3Å; R295-G430 PolarHBondContact NE-O 2.54Å; R295-G430 PolarHBondContact NH2-O 2.84Å; R295-A431 PolarHBondContact N-O 3.46Å; R295-L432 PolarHBondContact NH2-O 3.26Å
296	L	80.9	Confident	74	Confident	31 Å²	31	69.2 Å²	69.2	16%	0.162	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-36	-176.5	-63.2	174.8	0	0	0	113.8	K286 F289 K290 V294 A298 F299	K286-L296 HydrophobicContact CB-CD1 3.69Å; K286-L296 HydrophobicContact CD-CD1 4.12Å; K286-L296 HydrophobicContact CG-CD1 3.77Å; K286-L296 HydrophobicContact CG-CD2 4.21Å; F289-L296 HydrophobicContact CB-CD2 4.14Å; K290-L296 HydrophobicContact CB-CD1 4.39Å; V294-L296 PolarHBondContact O-N 3.04Å; L296-A298 PolarHBondContact O-N 2.8Å; L296-A298 VanDerWaalsContact O-N 3.09Å; L296-F299 WeakPolarHBondContact O-CD2 3.34Å; L296-F299 PolarHBondContact O-N 3.44Å
297	E	78.6	Confident	71.6	Confident	122 Å²	122	75.8 Å²	75.8	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-54	-30.5	177.9	-62.9	167.1	-144.3	0	0	113.7	R295 F299 E300 K301	R295-E297 VanDerWaalsContact C-N 3.31Å; R295-E297 PolarHBondContact O-N 3.05Å; E297-F299 PolarHBondContact O-N 3.22Å; E297-E300 PolarHBondContact O-N 2.91Å; E297-K301 WeakPolarHBondContact O-CG 3.36Å; E297-K301 PolarHBondContact O-N 3.34Å; E297-K301 IonicContact OE2-NZ 2.71Å; E297-K301 PolarHBondContact OE2-NZ 2.86Å
298	A	76.3	Confident	68.8	Low	14 Å²	14	80.6 Å²	80.6	12%	0.116	40%	0.396	C	S	.	.	H	α-helix	trans	-65.3	-23.4	-179.7	0	0	0	0	0	112.4	R295 L296 P428 A431	R295-A298 WeakPolarHBondContact O-CB 3.37Å; R295-A298 PolarHBondContact O-N 3.3Å; L296-A298 PolarHBondContact O-N 2.8Å; L296-A298 VanDerWaalsContact O-N 3.09Å; A298-P428 HydrophobicContact CB-CB 4.17Å; A298-P428 WeakPolarHBondContact O-CB 3.32Å; A298-P428 WeakPolarHBondContact O-CG 3.37Å; A298-A431 HydrophobicContact CB-CB 3.91Å
299	F	72.4	Confident	66	Low	16 Å²	16	87.5 Å²	87.5	7%	0.07	43%	0.426	C	S	.	.	H	α-helix	trans	-86.1	-20.6	177	-59.7	-85.3	0	0	0	113.4	A238 V294 L296 E297 L427 P428 A431	A238-F299 HydrophobicContact CB-CB 4.29Å; A238-F299 HydrophobicContact CB-CD1 3.21Å; A238-F299 HydrophobicContact CB-CE1 3.66Å; A238-F299 HydrophobicContact CB-CG 3.97Å; V294-F299 HydrophobicContact CG1-CE2 3.71Å; V294-F299 HydrophobicContact CG1-CZ 4.19Å; L296-F299 WeakPolarHBondContact O-CD2 3.34Å; L296-F299 PolarHBondContact O-N 3.44Å; E297-F299 PolarHBondContact O-N 3.22Å; F299-L427 HydrophobicContact CE1-CG 4.06Å; F299-L427 HydrophobicContact CZ-CD2 4.16Å; F299-L427 HydrophobicContact CZ-CG 3.96Å; F299-P428 VanDerWaalsContact CD1-CD 3.47Å; F299-P428 HydrophobicContact CD1-CG 3.69Å; F299-P428 HydrophobicContact CE1-CG 4.07Å; F299-P428 HydrophobicContact CG-CG 4.25Å; F299-A431 HydrophobicContact CE2-CB 3.9Å; F299-A431 HydrophobicContact CZ-CB 3.85Å
300	E	68	Low	63.3	Low	73 Å²	73	96.6 Å²	96.6	34%	0.341	47%	0.469	S	S	.	.	H	α-helix	trans	-91.2	-34.5	-172.8	-67.4	176.5	162.8	0	0	112	K286 E297 H302 N303	K286-E300 IonicContact NZ-OE1 3.62Å; K286-E300 PolarHBondContact NZ-OE1 2.91Å; E297-E300 PolarHBondContact O-N 2.91Å; E300-H302 PolarHBondContact O-N 3.04Å; E300-N303 PolarHBondContact O-N 3.09Å; E300-N303 PolarHBondContact O-ND2 3.37Å
301	K	57.9	Low	60.7	Low	117 Å²	117	96.2 Å²	96.2	51%	0.509	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.5	-174.8	-75.6	167.1	-174.4	170.1	0	116.2	E297 N303	E297-K301 WeakPolarHBondContact O-CG 3.36Å; E297-K301 PolarHBondContact O-N 3.34Å; E297-K301 IonicContact OE2-NZ 2.71Å; E297-K301 PolarHBondContact OE2-NZ 2.86Å; K301-N303 VanDerWaalsContact C-N 3.32Å; K301-N303 PolarHBondContact O-N 2.91Å
302	H	53.5	Low	57.9	Low	40 Å²	40	97.9 Å²	97.9	19%	0.185	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.7	-174.2	-73	-76.5	0	0	0	116.1	N235 E300 Q338	N235-H302 PolarHBondContact ND2-CD2 3.43Å; N235-H302 VanDerWaalsContact ND2-CG 3.35Å; E300-H302 PolarHBondContact O-N 3.04Å; H302-Q338 PolarHBondContact CE1-OE1 3.24Å; H302-Q338 VanDerWaalsContact CE1-OE1 3.29Å; H302-Q338 PolarHBondContact ND1-OE1 3.41Å
303	N	47.7	Very low	55.5	Low	85 Å²	85	101.3 Å²	101.3	46%	0.455	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-40.9	177.9	-59	-76.7	0	0	0	111.2	E300 K301 T306	E300-N303 PolarHBondContact O-N 3.09Å; E300-N303 PolarHBondContact O-ND2 3.37Å; K301-N303 VanDerWaalsContact C-N 3.32Å; K301-N303 PolarHBondContact O-N 2.91Å; N303-T306 PolarHBondContact O-OG1 3.47Å
304	D	42.1	Very low	53.1	Low	126 Å²	126	109.2 Å²	109.2	67%	0.674	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-89.2	-20.7	-160.5	-52.2	-19.2	0	0	0	113.2	T306	D304-T306 PolarHBondContact O-N 3.17Å
305	E	44	Very low	50.6	Low	131 Å²	131	113.8 Å²	113.8	61%	0.612	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-64.1	-3.2	173.8	-63.6	-167.8	140.2	0	0	113.4	E307 Q338	E305-E307 VanDerWaalsContact C-N 3.33Å; E305-E307 PolarHBondContact O-N 2.88Å; E305-Q338 PolarHBondContact OE2-NE2 3.35Å
306	T	39.1	Very low	48.3	Very low	77 Å²	77	113.8 Å²	113.8	47%	0.472	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-75.6	-15	-178.5	-44	0	0	0	0	114	N303 D304	N303-T306 PolarHBondContact O-OG1 3.47Å; D304-T306 PolarHBondContact O-N 3.17Å
307	E	37.3	Very low	46	Very low	180 Å²	180	119.1 Å²	119.1	84%	0.841	61%	0.611	S	S	*	*	S	Bend	trans	-120.8	-11.7	-170.1	-61.9	-164	153	0	0	116.4	E305	E305-E307 VanDerWaalsContact C-N 3.33Å; E305-E307 PolarHBondContact O-N 2.88Å
308	I	30.8	Very low	44	Very low	135 Å²	135	118.7 Å²	118.7	69%	0.692	62%	0.617	S	S	*	*	S	Bend	trans	-139.1	95.4	-170.9	-47.9	179.1	0	0	0	113
309	K	34.3	Very low	42	Very low	189 Å²	189	125.8 Å²	125.8	82%	0.822	65%	0.647	S	S	*	*			trans	170	46.3	144.5	-94.1	163.6	-172.4	173.7	0	113.6	K311	K309-K311 PolarHBondContact O-N 3Å
310	E	33.7	Very low	40.2	Very low	198 Å²	198	134.2 Å²	134.2	93%	0.925	69%	0.687	S	S	*	*			trans	-75.7	112.9	150.6	-76.3	174	-165.7	0	0	106.9
311	K	36.1	Very low	38.7	Very low	144 Å²	144	136.9 Å²	136.9	63%	0.626	71%	0.708	S	S	*	*			trans	-145.2	101.6	175.5	-84	-161.3	170	-165.6	0	110.3	K309 D313	K309-K311 PolarHBondContact O-N 3Å; K311-D313 PolarHBondContact O-N 3.05Å
312	D	31.7	Very low	37.8	Very low	156 Å²	156	135 Å²	135	83%	0.834	71%	0.71	S	S	*	*			trans	44.3	58.2	132.7	-44	-30.5	0	0	0	118
313	D	39.7	Very low	37	Very low	151 Å²	151	136.4 Å²	136.4	81%	0.807	74%	0.735	S	S	*	*			trans	-124.3	116.3	161.5	-99.4	-41.7	0	0	0	110.3	K311 S315	K311-D313 PolarHBondContact O-N 3.05Å; D313-S315 PolarHBondContact O-N 3.21Å
314	N	36.8	Very low	36.8	Very low	178 Å²	178	140.6 Å²	140.6	95%	0.952	75%	0.752	S	S	*	*			trans	-72.6	91.6	-175	-79.9	-54.1	0	0	0	112
315	S	36.9	Very low	36.7	Very low	101 Å²	101	144.2 Å²	144.2	71%	0.706	76%	0.756	S	S	*	*			trans	-145.2	122.8	168.2	61.4	0	0	0	0	114.4	D313	D313-S315 PolarHBondContact O-N 3.21Å
316	V	36.4	Very low	36.6	Very low	126 Å²	126	141.6 Å²	141.6	76%	0.764	75%	0.747	S	S	*	*			trans	40.1	98	161	-166.3	0	0	0	0	117.3	V318	V316-V318 HydrophobicContact CG1-CG2 3.97Å; V316-V318 PolarHBondContact O-N 2.92Å
317	V	32.2	Very low	36.6	Very low	143 Å²	143	146.5 Å²	146.5	87%	0.867	76%	0.756	S	S	*	*			trans	-66.9	103.7	166	-178.6	0	0	0	0	110.2
318	V	38.1	Very low	36.8	Very low	113 Å²	113	143.1 Å²	143.1	69%	0.685	74%	0.743	S	S	*	*			trans	-94.9	127.3	167.3	-177.5	0	0	0	0	108.7	V316 E320	V316-V318 HydrophobicContact CG1-CG2 3.97Å; V316-V318 PolarHBondContact O-N 2.92Å; V318-E320 PolarHBondContact O-N 3.18Å
319	H	34.5	Very low	37.3	Very low	162 Å²	162	141 Å²	141	75%	0.75	73%	0.731	S	S	*	*			trans	-69	102.1	-171	-127.1	-81.3	0	0	0	112.4	T321	H319-T321 PolarHBondContact O-N 3.43Å; H319-T321 VanDerWaalsContact O-N 3.07Å; H319-T321 PolarHBondContact O-OG1 3.38Å
320	E	34	Very low	37.8	Very low	193 Å²	193	135.1 Å²	135.1	90%	0.902	71%	0.713	S	S	*	*			trans	-66	106.9	-175.2	-65.9	-155.5	134.9	0	0	113	V318	V318-E320 PolarHBondContact O-N 3.18Å
321	T	36.5	Very low	38.5	Very low	129 Å²	129	130.4 Å²	130.4	79%	0.791	69%	0.69	S	S	*	*			trans	-135.7	30.6	-178.5	45.3	0	0	0	0	113.5	H319	H319-T321 PolarHBondContact O-N 3.43Å; H319-T321 VanDerWaalsContact O-N 3.07Å; H319-T321 PolarHBondContact O-OG1 3.38Å
322	S	37.6	Very low	39.1	Very low	79 Å²	79	125.6 Å²	125.6	55%	0.552	67%	0.674	S	S	*	*			trans	-139.3	105.1	171.7	46.5	0	0	0	0	112.9	N326	S322-N326 PolarHBondContact OG-ND2 3.21Å
323	G	37.5	Very low	39.8	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	65%	0.649	S	S	*	*			trans	-80.6	149.9	-168.1	0	0	0	0	0	116.3	R325	G323-R325 VanDerWaalsContact C-N 3.26Å; G323-R325 PolarHBondContact O-N 3.37Å
324	Q	43.1	Very low	40.3	Very low	172 Å²	172	117.8 Å²	117.8	80%	0.804	63%	0.631	S	S	*	*	S	Bend	trans	58.5	-48.8	169.8	-65	-172.3	-7.9	0	0	118.5	N326 R327 L328	Q324-N326 PolarHBondContact O-N 2.93Å; Q324-R327 PolarHBondContact O-N 2.87Å; Q324-R327 VanDerWaalsContact O-N 3.11Å; Q324-L328 PolarHBondContact O-N 3.27Å
325	R	39.6	Very low	41.1	Very low	202 Å²	202	110.6 Å²	110.6	76%	0.762	59%	0.593	S	S	*	*	H	α-helix	trans	-58.1	-49.5	-177	-76.3	-171.7	170.2	108.3	-2	112	G323 R327 L328 E329	G323-R325 VanDerWaalsContact C-N 3.26Å; G323-R325 PolarHBondContact O-N 3.37Å; R325-R327 PolarHBondContact O-N 3.05Å; R325-L328 PolarHBondContact O-N 3.44Å; R325-E329 PolarHBondContact O-N 3.03Å
326	N	42.3	Very low	42	Very low	77 Å²	77	110.2 Å²	110.2	41%	0.412	58%	0.583	S	S	.	*	H	α-helix	trans	-57.6	-34	177.9	-59.9	-2.7	0	0	0	112.2	S322 Q324 E329 S330	S322-N326 PolarHBondContact OG-ND2 3.21Å; Q324-N326 PolarHBondContact O-N 2.93Å; N326-E329 PolarHBondContact O-N 2.92Å; N326-S330 WeakPolarHBondContact O-CB 3.44Å; N326-S330 PolarHBondContact O-N 3.49Å; N326-S330 PolarHBondContact O-OG 3.38Å; N326-S330 VanDerWaalsContact O-OG 3.08Å
327	R	38.7	Very low	42.9	Very low	179 Å²	179	108.1 Å²	108.1	68%	0.675	56%	0.561	S	S	*	*	H	α-helix	trans	-73.7	-30.3	178.6	-159.7	174.6	-168.4	-175.1	4.4	112.7	Q324 R325 K331	Q324-R327 PolarHBondContact O-N 2.87Å; Q324-R327 VanDerWaalsContact O-N 3.11Å; R325-R327 PolarHBondContact O-N 3.05Å; R327-K331 WeakPolarHBondContact O-CG 3.42Å; R327-K331 PolarHBondContact O-N 2.84Å
328	L	41.6	Very low	44.3	Very low	109 Å²	109	103.8 Å²	103.8	57%	0.571	53%	0.531	S	S	*	.	H	α-helix	trans	-74.2	-40.9	171.9	-73.9	164.1	0	0	0	111.4	Q324 R325 K331 S332	Q324-L328 PolarHBondContact O-N 3.27Å; R325-L328 PolarHBondContact O-N 3.44Å; L328-K331 PolarHBondContact O-N 2.88Å; L328-S332 PolarHBondContact O-N 3.48Å; L328-S332 PolarHBondContact O-OG 3.28Å
329	E	42	Very low	45.8	Very low	91 Å²	91	99.9 Å²	99.9	43%	0.425	51%	0.506	S	S	.	.	H	α-helix	trans	-62.6	-49.1	172.6	-72.7	-174.9	-150.2	0	0	111.5	R325 N326 K331 S332 R333	R325-E329 PolarHBondContact O-N 3.03Å; N326-E329 PolarHBondContact O-N 2.92Å; E329-K331 PolarHBondContact O-N 3.41Å; E329-S332 CarbonylContact O-C 3.47Å; E329-S332 WeakPolarHBondContact O-CA 3.29Å; E329-S332 WeakPolarHBondContact O-CB 3.43Å; E329-S332 PolarHBondContact O-N 3.04Å; E329-R333 WeakPolarHBondContact O-CB 3.12Å; E329-R333 WeakPolarHBondContact O-CD 3.48Å; E329-R333 WeakPolarHBondContact O-CG 3.43Å; E329-R333 PolarHBondContact O-N 3.45Å; E329-R333 IonicContact OE2-CZ 3.28Å; E329-R333 IonicContact OE2-NE 2.72Å; E329-R333 IonicContact OE2-NH2 2.73Å; E329-R333 PolarHBondContact OE2-NH2 3.36Å
330	S	44	Very low	47.6	Very low	65 Å²	65	93.5 Å²	93.5	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-54.9	-35.1	174.9	-68.8	0	0	0	0	113.5	N326	N326-S330 WeakPolarHBondContact O-CB 3.44Å; N326-S330 PolarHBondContact O-N 3.49Å; N326-S330 PolarHBondContact O-OG 3.38Å; N326-S330 VanDerWaalsContact O-OG 3.08Å
331	K	49.4	Very low	49.7	Very low	100 Å²	100	85 Å²	85	44%	0.435	44%	0.444	S	S	.	.	H	α-helix	trans	-73.8	-32.8	172.1	-73.9	-173.8	172.1	-156.7	0	113.6	R327 L328 E329 S334 T335	R327-K331 WeakPolarHBondContact O-CG 3.42Å; R327-K331 PolarHBondContact O-N 2.84Å; L328-K331 PolarHBondContact O-N 2.88Å; E329-K331 PolarHBondContact O-N 3.41Å; K331-S334 PolarHBondContact O-OG 2.93Å; K331-T335 WeakPolarHBondContact O-CB 3.25Å; K331-T335 VanDerWaalsContact O-CG2 3.29Å; K331-T335 WeakPolarHBondContact O-CG2 3.42Å; K331-T335 PolarHBondContact O-N 3.08Å; K331-T335 PolarHBondContact O-OG1 2.76Å
332	S	47.7	Very low	51.9	Low	42 Å²	42	80.6 Å²	80.6	29%	0.294	42%	0.417	S	S	.	.	H	α-helix	trans	-70.8	-34.3	174.2	-54	0	0	0	0	112	L328 E329 T335 I336	L328-S332 PolarHBondContact O-N 3.48Å; L328-S332 PolarHBondContact O-OG 3.28Å; E329-S332 CarbonylContact O-C 3.47Å; E329-S332 WeakPolarHBondContact O-CA 3.29Å; E329-S332 WeakPolarHBondContact O-CB 3.43Å; E329-S332 PolarHBondContact O-N 3.04Å; S332-T335 WeakPolarHBondContact CA-OG1 3.4Å; S332-T335 PolarHBondContact O-OG1 2.75Å; S332-I336 WeakPolarHBondContact O-CG1 3.14Å; S332-I336 PolarHBondContact O-N 3.01Å
333	R	48.1	Very low	54.4	Low	84 Å²	84	76.8 Å²	76.8	32%	0.317	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-38.2	-177.1	-72.5	164.1	-175.8	-168.3	7.8	113.2	L157 E329	L157-R333 HydrophobicContact CD1-CG 3.57Å; L157-R333 HydrophobicContact CD2-CB 3.9Å; L157-R333 HydrophobicContact CD2-CG 3.72Å; L157-R333 HydrophobicContact CG-CG 4.29Å; E329-R333 WeakPolarHBondContact O-CB 3.12Å; E329-R333 WeakPolarHBondContact O-CD 3.48Å; E329-R333 WeakPolarHBondContact O-CG 3.43Å; E329-R333 PolarHBondContact O-N 3.45Å; E329-R333 IonicContact OE2-CZ 3.28Å; E329-R333 IonicContact OE2-NE 2.72Å; E329-R333 IonicContact OE2-NH2 2.73Å; E329-R333 PolarHBondContact OE2-NH2 3.36Å
334	S	50.2	Low	56.9	Low	59 Å²	59	73.5 Å²	73.5	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-78	-47.8	172	54.6	0	0	0	0	112.1	K331 I336 R337 Q338	K331-S334 PolarHBondContact O-OG 2.93Å; S334-I336 PolarHBondContact O-N 2.78Å; S334-R337 PolarHBondContact O-N 2.58Å; S334-R337 VanDerWaalsContact O-N 3.13Å; S334-Q338 PolarHBondContact O-N 3.37Å
335	T	52.4	Low	59.1	Low	28 Å²	28	65.7 Å²	65.7	17%	0.172	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-33.9	-170.8	48.3	0	0	0	0	114.2	K331 S332 R337 Q338 L339	K331-T335 WeakPolarHBondContact O-CB 3.25Å; K331-T335 VanDerWaalsContact O-CG2 3.29Å; K331-T335 WeakPolarHBondContact O-CG2 3.42Å; K331-T335 PolarHBondContact O-N 3.08Å; K331-T335 PolarHBondContact O-OG1 2.76Å; S332-T335 WeakPolarHBondContact CA-OG1 3.4Å; S332-T335 PolarHBondContact O-OG1 2.75Å; T335-R337 PolarHBondContact O-N 3.32Å; T335-Q338 PolarHBondContact O-N 3.05Å; T335-L339 WeakPolarHBondContact O-CG 3.27Å
336	I	56.1	Low	61.6	Low	93 Å²	93	56.1 Å²	56.1	48%	0.477	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-58.9	-33.5	176.9	-70.5	166.9	0	0	0	112.2	S332 S334	S332-I336 WeakPolarHBondContact O-CG1 3.14Å; S332-I336 PolarHBondContact O-N 3.01Å; S334-I336 PolarHBondContact O-N 2.78Å
337	R	55.8	Low	63.8	Low	81 Å²	81	53.5 Å²	53.5	31%	0.306	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-80.3	-20.5	177.8	-66.8	-178.9	137.5	-80.5	-42.7	113.6	E125 L134 S334 T335 L339	E125-R337 IonicContact OE1-CZ 2.66Å; E125-R337 IonicContact OE1-NH1 3.86Å; E125-R337 PolarHBondContact OE1-NH1 3Å; E125-R337 IonicContact OE1-NH2 3.62Å; E125-R337 PolarHBondContact OE1-NH2 3.21Å; L134-R337 PolarHBondContact O-NE 3.44Å; L134-R337 PolarHBondContact O-NH2 3.03Å; S334-R337 PolarHBondContact O-N 2.58Å; S334-R337 VanDerWaalsContact O-N 3.13Å; T335-R337 PolarHBondContact O-N 3.32Å; R337-L339 PolarHBondContact O-N 3.28Å
338	Q	60.4	Low	66.2	Low	53 Å²	53	46.1 Å²	46.1	25%	0.248	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-87.6	20.6	179.6	-60.8	171.9	-52	0	0	111.9	H302 E305 S334 T335 P428 D429	H302-Q338 PolarHBondContact CE1-OE1 3.24Å; H302-Q338 VanDerWaalsContact CE1-OE1 3.29Å; H302-Q338 PolarHBondContact ND1-OE1 3.41Å; E305-Q338 PolarHBondContact OE2-NE2 3.35Å; S334-Q338 PolarHBondContact O-N 3.37Å; T335-Q338 PolarHBondContact O-N 3.05Å; Q338-P428 CarbonylContact O-C 3.53Å; Q338-P428 VanDerWaalsContact O-CA 3.29Å; Q338-P428 WeakPolarHBondContact O-CA 3.22Å; Q338-D429 PolarHBondContact O-N 3.37Å
339	L	70.8	Confident	68.6	Low	31 Å²	31	41.1 Å²	41.1	16%	0.162	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.8	-173.9	-67.3	171.3	0	0	0	111.2	T335 R337 G341 W426 L427	T335-L339 WeakPolarHBondContact O-CG 3.27Å; R337-L339 PolarHBondContact O-N 3.28Å; L339-G341 PolarHBondContact O-N 3.23Å; L339-W426 HydrophobicContact CB-CB 4.09Å; L339-W426 HydrophobicContact CD1-CB 3.88Å; L339-W426 HydrophobicContact CD1-CG 4.36Å; L339-W426 HydrophobicContact CD2-CB 3.76Å; L339-W426 HydrophobicContact CG-CB 4.11Å; L339-L427 CarbonylContact C-O 3.58Å; L339-L427 WeakPolarHBondContact CA-O 3.49Å
340	S	70.9	Confident	70.8	Confident	28 Å²	28	38.3 Å²	38.3	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	-23.2	-171.3	178.4	0	0	0	0	116.1	T342 L427 D429	S340-T342 PolarHBondContact O-N 3.06Å; S340-T342 PolarHBondContact O-OG1 3.29Å; S340-T342 VanDerWaalsContact O-OG1 3.13Å; S340-T342 PolarHBondContact OG-OG1 2.82Å; S340-L427 WeakPolarHBondContact CB-O 3.41Å; S340-L427 PolarHBondContact N-O 3.34Å; S340-D429 VanDerWaalsContact CA-OD1 3.23Å; S340-D429 WeakPolarHBondContact CA-OD1 3.34Å; S340-D429 PolarHBondContact N-OD1 3.09Å
341	G	78.4	Confident	72.8	Confident	14 Å²	14	37.1 Å²	37.1	14%	0.144	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.3	-21.8	-179.6	0	0	0	0	0	116	L339 S402 A405 W426	L339-G341 PolarHBondContact O-N 3.23Å; G341-S402 VanDerWaalsContact O-CA 3.28Å; G341-S402 WeakPolarHBondContact O-CA 3.36Å; G341-A405 WeakPolarHBondContact O-CB 3.26Å; G341-W426 VanDerWaalsContact C-CZ3 3.49Å; G341-W426 VanDerWaalsContact O-CZ3 3.25Å; G341-W426 WeakPolarHBondContact O-CZ3 3.43Å
342	T	84.1	Confident	74.6	Confident	36 Å²	36	34.5 Å²	34.5	22%	0.221	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-24	-176.5	55.7	0	0	0	0	112.7	S340 Y399 A405	S340-T342 PolarHBondContact O-N 3.06Å; S340-T342 PolarHBondContact O-OG1 3.29Å; S340-T342 VanDerWaalsContact O-OG1 3.13Å; S340-T342 PolarHBondContact OG-OG1 2.82Å; T342-Y399 WeakPolarHBondContact CB-O 3.46Å; T342-Y399 PolarHBondContact O-N 3.26Å; T342-A405 VanDerWaalsContact O-CB 3.31Å; T342-A405 WeakPolarHBondContact O-CB 3.15Å
343	A	89.7	Confident	76.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.3	-178.3	0	0	0	0	0	113.4	V397 E398 L427 L432	A343-V397 CarbonylContact C-O 3.54Å; A343-V397 WeakPolarHBondContact CA-O 3.46Å; A343-E398 HydrophobicContact CB-CB 4.13Å; A343-E398 HydrophobicContact CB-CG 4.26Å; A343-L427 HydrophobicContact CB-CB 4.22Å; A343-L427 HydrophobicContact CB-CD2 4.21Å; A343-L427 PolarHBondContact O-N 2.93Å; A343-L432 HydrophobicContact CB-CD1 3.66Å
344	F	89.3	Confident	78.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.5	175.6	59.9	-101.3	0	0	0	112.4	I346 V397 Y399 A405 M408 Y409 L412 L424 Q425 W426	F344-I346 HydrophobicContact CD2-CG1 4.09Å; F344-I346 HydrophobicContact CE2-CD1 4.18Å; F344-I346 HydrophobicContact CE2-CG1 3.91Å; F344-V397 HydrophobicContact CD2-CB 4.26Å; F344-V397 HydrophobicContact CE2-CB 3.91Å; F344-V397 HydrophobicContact CE2-CG1 4.34Å; F344-V397 HydrophobicContact CE2-CG2 4.19Å; F344-V397 HydrophobicContact CZ-CB 4.15Å; F344-V397 HydrophobicContact CZ-CG1 4.11Å; F344-V397 PolarHBondContact N-O 3.1Å; F344-V397 PolarHBondContact O-N 3.47Å; F344-Y399 HydrophobicContact CE1-CD2 4.1Å; F344-Y399 AromaticContact CE1-CE2 3.68Å; F344-Y399 HydrophobicContact CE1-CE2 3.68Å; F344-Y399 AromaticContact CZ-CE2 3.9Å; F344-Y399 HydrophobicContact CZ-CE2 3.9Å; F344-A405 HydrophobicContact CD1-CB 4.41Å; F344-A405 HydrophobicContact CE1-CB 4.45Å; F344-M408 HydrophobicContact CE1-CB 4.2Å; F344-M408 HydrophobicContact CZ-CB 4.17Å; F344-Y409 HydrophobicContact CB-CD2 3.88Å; F344-Y409 HydrophobicContact CB-CE2 4.32Å; F344-Y409 HydrophobicContact CD1-CD2 4.26Å; F344-Y409 HydrophobicContact CG-CD2 4.04Å; F344-L412 HydrophobicContact CE2-CD1 4.18Å; F344-L412 HydrophobicContact CZ-CD1 4.04Å; F344-L424 HydrophobicContact CD2-CD2 3.63Å; F344-L424 HydrophobicContact CD2-CG 4.05Å; F344-L424 HydrophobicContact CE2-CD2 3.54Å; F344-L424 HydrophobicContact CE2-CG 4.27Å; F344-L424 HydrophobicContact CG-CD2 4.36Å; F344-L424 HydrophobicContact CZ-CD2 4.21Å; F344-Q425 CarbonylContact C-O 3.58Å; F344-Q425 WeakPolarHBondContact CA-O 3.48Å; F344-Q425 WeakPolarHBondContact CB-O 3.44Å; F344-W426 HydrophobicContact CB-CE3 4.15Å; F344-W426 HydrophobicContact CB-CZ3 4.45Å; F344-W426 HydrophobicContact CD1-CZ3 4.22Å
345	L	90.4	Very high	80.8	Confident	8 Å²	8	32.9 Å²	32.9	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.2	176.2	177.1	66.3	0	0	0	108.7	A238 K347 A395 I396 L424 Q425 L427	A238-L345 HydrophobicContact CB-CD2 3.96Å; A238-L345 WeakPolarHBondContact O-CD2 3.5Å; L345-K347 HydrophobicContact CD2-CD 4.38Å; L345-K347 HydrophobicContact CD2-CG 4.12Å; L345-K347 HydrophobicContact CG-CG 4.16Å; L345-A395 CarbonylContact C-O 3.56Å; L345-A395 WeakPolarHBondContact CA-O 3.43Å; L345-I396 HydrophobicContact CD1-CG1 3.78Å; L345-L424 WeakPolarHBondContact O-CA 3.43Å; L345-Q425 PolarHBondContact N-O 2.97Å; L345-Q425 PolarHBondContact O-N 3.49Å; L345-L427 HydrophobicContact CB-CD1 3.8Å; L345-L427 VanDerWaalsContact N-CD1 3.29Å
346	I	91.8	Very high	82.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131	166	-51.4	175.4	0	0	0	107.5	F344 L349 V358 T394 A395 V397 L422 L424	F344-I346 HydrophobicContact CD2-CG1 4.09Å; F344-I346 HydrophobicContact CE2-CD1 4.18Å; F344-I346 HydrophobicContact CE2-CG1 3.91Å; I346-L349 HydrophobicContact CB-CD1 4.49Å; I346-L349 HydrophobicContact CG2-CD1 4.22Å; I346-L349 HydrophobicContact CG2-CD2 4.05Å; I346-L349 HydrophobicContact CG2-CG 3.93Å; I346-V358 HydrophobicContact CD1-CG1 4.32Å; I346-T394 CarbonylContact O-C 3.48Å; I346-T394 VanDerWaalsContact O-CA 3.23Å; I346-T394 WeakPolarHBondContact O-CA 3.35Å; I346-A395 HydrophobicContact CB-CB 4.35Å; I346-A395 PolarHBondContact N-O 3.2Å; I346-A395 PolarHBondContact O-N 3.45Å; I346-V397 HydrophobicContact CD1-CG2 3.81Å; I346-V397 HydrophobicContact CG1-CG2 4.26Å; I346-L422 HydrophobicContact CG2-CB 4.3Å; I346-L422 HydrophobicContact CG2-CD1 4.25Å; I346-L422 HydrophobicContact CG2-CD2 3.97Å; I346-L422 HydrophobicContact CG2-CG 4.41Å; I346-L424 HydrophobicContact CB-CD1 4.46Å; I346-L424 HydrophobicContact CG1-CD1 4.15Å; I346-L424 HydrophobicContact CG1-CG 4.16Å; I346-L424 HydrophobicContact CG2-CD1 4.09Å
347	K	88.9	Confident	84.4	Confident	23 Å²	23	36.8 Å²	36.8	10%	0.1	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.3	174.7	-73.2	173.1	164.2	172.7	0	110	N237 A238 L345 L349 T394 F423	N237-K347 PolarHBondContact O-NZ 3.31Å; A238-K347 WeakPolarHBondContact O-CE 3.32Å; A238-K347 PolarHBondContact O-NZ 3.34Å; L345-K347 HydrophobicContact CD2-CD 4.38Å; L345-K347 HydrophobicContact CD2-CG 4.12Å; L345-K347 HydrophobicContact CG-CG 4.16Å; K347-L349 VanDerWaalsContact C-N 3.32Å; K347-T394 HydrophobicContact CG-CG2 4.3Å; K347-F423 HydrophobicContact CB-CB 4.32Å; K347-F423 PolarHBondContact N-O 3.26Å; K347-F423 PolarHBondContact O-N 3.43Å; K347-F423 VanDerWaalsContact O-N 3.14Å
348	N	88.5	Confident	86.1	Confident	24 Å²	24	32.9 Å²	32.9	13%	0.128	19%	0.189	C	C	.	.			trans	64.7	33	177.9	-165.6	64.1	0	0	0	113.6	R242 I393 S420 V421 F423	R242-N348 WeakPolarHBondContact CD-OD1 3.44Å; N348-I393 PolarHBondContact N-O 2.81Å; N348-S420 WeakPolarHBondContact O-CB 3.3Å; N348-S420 PolarHBondContact O-OG 3.25Å; N348-V421 PolarHBondContact ND2-O 2.69Å; N348-F423 HydrophobicContact CB-CD2 3.49Å; N348-F423 VanDerWaalsContact CB-CD2 3.49Å; N348-F423 HydrophobicContact CB-CE2 3.74Å
349	L	91.1	Very high	87.5	Confident	4 Å²	4	34 Å²	34	2%	0.021	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-67	144.2	159.9	-67.2	163.5	0	0	0	108.5	I346 K347 T353 V358 G392 I393 A395 F417 L422	I346-L349 HydrophobicContact CB-CD1 4.49Å; I346-L349 HydrophobicContact CG2-CD1 4.22Å; I346-L349 HydrophobicContact CG2-CD2 4.05Å; I346-L349 HydrophobicContact CG2-CG 3.93Å; K347-L349 VanDerWaalsContact C-N 3.32Å; L349-T353 HydrophobicContact CD2-CG2 4.25Å; L349-V358 HydrophobicContact CD1-CG2 4.05Å; L349-G392 WeakPolarHBondContact CB-O 3.23Å; L349-G392 WeakPolarHBondContact CD1-O 3.34Å; L349-I393 PolarHBondContact N-O 3.33Å; L349-I393 VanDerWaalsContact N-O 3.11Å; L349-A395 HydrophobicContact CD1-CB 3.68Å; L349-F417 HydrophobicContact CD2-CD1 3.88Å; L349-F417 HydrophobicContact CD2-CE1 3.91Å; L349-L422 HydrophobicContact CD2-CD2 3.57Å; L349-L422 HydrophobicContact CG-CD2 4.2Å
350	P	89	Confident	88.3	Confident	32 Å²	32	34.5 Å²	34.5	21%	0.208	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-60.1	144.7	171.6	-23.4	34.7	0	0	0	111.4	T353 F417 R418	P350-T353 VanDerWaalsContact O-CB 3.26Å; P350-T353 WeakPolarHBondContact O-CB 3.3Å; P350-T353 PolarHBondContact O-N 3.34Å; P350-T353 PolarHBondContact O-OG1 3.25Å; P350-F417 HydrophobicContact CG-CD1 4.32Å; P350-R418 HydrophobicContact CG-CB 4.07Å; P350-R418 HydrophobicContact CG-CG 4.45Å
351	A	85.9	Confident	89.1	Confident	39 Å²	39	33.2 Å²	33.2	32%	0.322	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	145.3	175.7	0	0	0	0	0	111.4	T248 T353 L391	T248-A351 HydrophobicContact CG2-CB 3.42Å; T248-A351 VanDerWaalsContact CG2-CB 3.42Å; A351-T353 VanDerWaalsContact C-N 3.3Å; A351-L391 CarbonylContact C-O 3.56Å; A351-L391 WeakPolarHBondContact CA-O 3.22Å; A351-L391 HydrophobicContact CB-CD1 4Å; A351-L391 HydrophobicContact CB-CD2 4.46Å; A351-L391 HydrophobicContact CB-CG 4.07Å
352	G	87	Confident	89.5	Confident	46 Å²	46	32.6 Å²	32.6	47%	0.474	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-0.9	-171.8	0	0	0	0	0	114.8	T354 L391	G352-T354 PolarHBondContact O-N 2.81Å; G352-L391 PolarHBondContact N-O 3.32Å
353	T	91.3	Very high	89.4	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.185	C	C	.	.			trans	-66.8	119.4	179	-61.5	0	0	0	0	111.4	L349 P350 A351 E357 V358 G392 F417 R418	L349-T353 HydrophobicContact CD2-CG2 4.25Å; P350-T353 VanDerWaalsContact O-CB 3.26Å; P350-T353 WeakPolarHBondContact O-CB 3.3Å; P350-T353 PolarHBondContact O-N 3.34Å; P350-T353 PolarHBondContact O-OG1 3.25Å; A351-T353 VanDerWaalsContact C-N 3.3Å; T353-E357 VanDerWaalsContact CA-OE2 3.29Å; T353-E357 WeakPolarHBondContact CA-OE2 3.5Å; T353-E357 HydrophobicContact CG2-CB 4.13Å; T353-V358 HydrophobicContact CG2-CG2 3.99Å; T353-G392 WeakPolarHBondContact O-CA 3.42Å; T353-F417 HydrophobicContact CG2-CE1 3.75Å; T353-F417 HydrophobicContact CG2-CZ 3.99Å; T353-R418 PolarHBondContact OG1-NH1 3.48Å
354	T	93.1	Very high	88.7	Confident	69 Å²	69	41.8 Å²	41.8	42%	0.423	21%	0.211	S	C	.	.			trans	-89.1	161.8	-174.3	67.6	0	0	0	0	113.2	G352 F356 E357 V358	G352-T354 PolarHBondContact O-N 2.81Å; T354-F356 PolarHBondContact O-N 3.13Å; T354-E357 PolarHBondContact N-OE2 2.99Å; T354-E357 PolarHBondContact O-N 3.23Å; T354-E357 WeakPolarHBondContact OG1-CG 3.27Å; T354-E357 PolarHBondContact OG1-N 3.4Å; T354-V358 PolarHBondContact O-N 3.48Å
355	E	92.5	Very high	87.8	Confident	79 Å²	79	45.1 Å²	45.1	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-56.2	-33.9	173.1	-162.6	-161.6	145	0	0	112.5	R359 V386 V388	E355-R359 WeakPolarHBondContact O-CB 3.33Å; E355-R359 VanDerWaalsContact O-CG 3.3Å; E355-R359 WeakPolarHBondContact O-CG 3.25Å; E355-R359 PolarHBondContact O-N 2.68Å; E355-R359 IonicContact OE1-CZ 2.69Å; E355-R359 IonicContact OE1-NE 2.68Å; E355-R359 PolarHBondContact OE1-NE 3.11Å; E355-R359 IonicContact OE1-NH2 3.71Å; E355-R359 PolarHBondContact OE1-NH2 3.14Å; E355-V386 HydrophobicContact CG-CB 4.03Å; E355-V386 HydrophobicContact CG-CG1 3.79Å; E355-V388 HydrophobicContact CB-CB 4.3Å; E355-V388 HydrophobicContact CB-CG2 4.01Å; E355-V388 HydrophobicContact CG-CG2 4.07Å
356	F	91.5	Very high	86.6	Confident	149 Å²	149	46.5 Å²	46.5	65%	0.654	23%	0.233	S	C	*	.	H	α-helix	trans	-63.9	-40.8	176.3	-174.4	-88.3	0	0	0	112	T354 R359 D360	T354-F356 PolarHBondContact O-N 3.13Å; F356-R359 CarbonylContact O-C 3.58Å; F356-R359 PolarHBondContact O-N 3.07Å; F356-D360 PolarHBondContact O-N 3.13Å
357	E	91.6	Very high	84.8	Confident	54 Å²	54	53 Å²	53	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-71.4	-41.3	179.4	-66.5	173.6	152.2	0	0	111.9	T353 T354 R359 D360 L361 R418	T353-E357 VanDerWaalsContact CA-OE2 3.29Å; T353-E357 WeakPolarHBondContact CA-OE2 3.5Å; T353-E357 HydrophobicContact CG2-CB 4.13Å; T354-E357 PolarHBondContact N-OE2 2.99Å; T354-E357 PolarHBondContact O-N 3.23Å; T354-E357 WeakPolarHBondContact OG1-CG 3.27Å; T354-E357 PolarHBondContact OG1-N 3.4Å; E357-R359 VanDerWaalsContact C-N 3.31Å; E357-R359 PolarHBondContact O-N 3.14Å; E357-D360 PolarHBondContact O-N 2.88Å; E357-L361 PolarHBondContact O-N 3.5Å; E357-R418 IonicContact OE1-CZ 3.41Å; E357-R418 IonicContact OE1-NH1 3.19Å; E357-R418 IonicContact OE1-NH2 2.66Å; E357-R418 PolarHBondContact OE1-NH2 2.87Å; E357-R418 IonicContact OE2-CZ 3.77Å; E357-R418 IonicContact OE2-NH1 2.68Å; E357-R418 PolarHBondContact OE2-NH1 3.33Å; E357-R418 IonicContact OE2-NH2 3.19Å; E357-R418 PolarHBondContact OE2-NH2 2.73Å
358	V	91.6	Very high	82.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-46.8	169.8	178.5	0	0	0	0	109.4	I346 L349 T353 T354 D360 L361 L362 V386 V388 A395 V397	I346-V358 HydrophobicContact CD1-CG1 4.32Å; L349-V358 HydrophobicContact CD1-CG2 4.05Å; T353-V358 HydrophobicContact CG2-CG2 3.99Å; T354-V358 PolarHBondContact O-N 3.48Å; V358-D360 VanDerWaalsContact C-N 3.31Å; V358-D360 PolarHBondContact O-N 2.86Å; V358-L361 WeakPolarHBondContact O-CB 3.18Å; V358-L361 PolarHBondContact O-N 3.23Å; V358-L362 WeakPolarHBondContact O-CG 3.37Å; V358-L362 PolarHBondContact O-N 2.69Å; V358-V386 HydrophobicContact CB-CG1 4.41Å; V358-V386 HydrophobicContact CG1-CG1 3.93Å; V358-V388 HydrophobicContact CB-CG2 4.47Å; V358-V388 HydrophobicContact CG2-CG2 4.03Å; V358-A395 HydrophobicContact CG1-CB 4.14Å; V358-A395 HydrophobicContact CG2-CB 4.13Å; V358-V397 HydrophobicContact CG1-CG2 4.38Å
359	R	90.7	Very high	80.9	Confident	76 Å²	76	59 Å²	59	29%	0.287	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-31.1	176.4	-75.1	-179.4	-174.2	-97.1	8.1	113.4	E355 F356 E357 K363 L383 V386	E355-R359 WeakPolarHBondContact O-CB 3.33Å; E355-R359 VanDerWaalsContact O-CG 3.3Å; E355-R359 WeakPolarHBondContact O-CG 3.25Å; E355-R359 PolarHBondContact O-N 2.68Å; E355-R359 IonicContact OE1-CZ 2.69Å; E355-R359 IonicContact OE1-NE 2.68Å; E355-R359 PolarHBondContact OE1-NE 3.11Å; E355-R359 IonicContact OE1-NH2 3.71Å; E355-R359 PolarHBondContact OE1-NH2 3.14Å; F356-R359 CarbonylContact O-C 3.58Å; F356-R359 PolarHBondContact O-N 3.07Å; E357-R359 VanDerWaalsContact C-N 3.31Å; E357-R359 PolarHBondContact O-N 3.14Å; R359-K363 WeakPolarHBondContact O-CD 3.43Å; R359-K363 WeakPolarHBondContact O-CG 3.25Å; R359-K363 PolarHBondContact O-N 3.48Å; R359-K363 VanDerWaalsContact O-N 3.09Å; R359-L383 HydrophobicContact CG-CD2 4.42Å; R359-V386 HydrophobicContact CG-CB 4.42Å; R359-V386 HydrophobicContact CG-CG2 3.88Å
360	D	87.3	Confident	78.6	Confident	42 Å²	42	61.6 Å²	61.6	23%	0.225	32%	0.324	C	S	.	.	H	α-helix	trans	-72.5	-41.3	172.6	-171.2	62.8	0	0	0	112.5	F356 E357 V358 L362 K363 R364	F356-D360 PolarHBondContact O-N 3.13Å; E357-D360 PolarHBondContact O-N 2.88Å; V358-D360 VanDerWaalsContact C-N 3.31Å; V358-D360 PolarHBondContact O-N 2.86Å; D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 2.81Å; D360-K363 CarbonylContact O-C 3.56Å; D360-K363 WeakPolarHBondContact O-CA 3.31Å; D360-K363 WeakPolarHBondContact O-CB 3.43Å; D360-K363 PolarHBondContact O-N 3.37Å; D360-R364 WeakPolarHBondContact O-CG 3.33Å; D360-R364 PolarHBondContact O-N 3.25Å; D360-R364 IonicContact OD2-CZ 2.78Å; D360-R364 IonicContact OD2-NE 3.19Å; D360-R364 PolarHBondContact OD2-NE 3.08Å; D360-R364 IonicContact OD2-NH2 3.49Å; D360-R364 PolarHBondContact OD2-NH2 3.06Å
361	L	87	Confident	75.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-53.8	-48.4	171.5	176.5	63.9	0	0	0	111.2	E357 V358 K363 R364 Y365 L412 F417 L422	E357-L361 PolarHBondContact O-N 3.5Å; V358-L361 WeakPolarHBondContact O-CB 3.18Å; V358-L361 PolarHBondContact O-N 3.23Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 3.39Å; L361-R364 WeakPolarHBondContact O-CB 3.33Å; L361-R364 PolarHBondContact O-N 3.31Å; L361-Y365 HydrophobicContact CD1-CD2 4.39Å; L361-Y365 HydrophobicContact CD1-CE2 4.06Å; L361-L412 HydrophobicContact CD1-CD2 4.12Å; L361-L412 HydrophobicContact CD2-CD2 4.02Å; L361-L412 HydrophobicContact CG-CD2 3.87Å; L361-F417 HydrophobicContact CB-CE2 4.13Å; L361-F417 HydrophobicContact CD1-CD2 3.96Å; L361-F417 HydrophobicContact CD1-CE2 4.36Å; L361-F417 HydrophobicContact CD2-CD2 3.78Å; L361-F417 HydrophobicContact CD2-CE2 4.05Å; L361-F417 HydrophobicContact CD2-CG 4.35Å; L361-F417 HydrophobicContact CG-CD2 4.29Å; L361-F417 HydrophobicContact CG-CE2 4.41Å; L361-L422 HydrophobicContact CD2-CD1 3.56Å
362	L	86.7	Confident	73.8	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-41.2	175.5	-59.4	-178.7	0	0	0	111.9	V358 D360 R364 Y365 T366 L383 V386 V397 M408 L412	V358-L362 WeakPolarHBondContact O-CG 3.37Å; V358-L362 PolarHBondContact O-N 2.69Å; D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 2.81Å; L362-R364 PolarHBondContact O-N 3.46Å; L362-Y365 PolarHBondContact O-N 3.49Å; L362-T366 PolarHBondContact O-N 3.41Å; L362-T366 PolarHBondContact O-OG1 3.16Å; L362-L383 HydrophobicContact CD1-CD1 3.8Å; L362-L383 HydrophobicContact CD1-CD2 3.68Å; L362-L383 HydrophobicContact CD1-CG 4.4Å; L362-V386 HydrophobicContact CD1-CG2 4.08Å; L362-V397 HydrophobicContact CD1-CG1 3.58Å; L362-V397 HydrophobicContact CD1-CG2 4.24Å; L362-V397 HydrophobicContact CD2-CG1 4.43Å; L362-M408 HydrophobicContact CB-CE 4.14Å; L362-M408 HydrophobicContact CD2-CE 3.76Å; L362-L412 HydrophobicContact CD2-CD1 3.51Å
363	K	81.6	Confident	71.8	Confident	82 Å²	82	72.5 Å²	72.5	36%	0.357	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-33	176.5	-73.2	163.7	-166.9	167.5	0	113.3	R359 D360 L361 Y365 T366 K367	R359-K363 WeakPolarHBondContact O-CD 3.43Å; R359-K363 WeakPolarHBondContact O-CG 3.25Å; R359-K363 PolarHBondContact O-N 3.48Å; R359-K363 VanDerWaalsContact O-N 3.09Å; D360-K363 CarbonylContact O-C 3.56Å; D360-K363 WeakPolarHBondContact O-CA 3.31Å; D360-K363 WeakPolarHBondContact O-CB 3.43Å; D360-K363 PolarHBondContact O-N 3.37Å; L361-K363 VanDerWaalsContact C-N 3.33Å; L361-K363 PolarHBondContact O-N 3.39Å; K363-Y365 VanDerWaalsContact C-N 3.33Å; K363-Y365 PolarHBondContact O-N 2.9Å; K363-T366 WeakPolarHBondContact CA-OG1 3.28Å; K363-T366 PolarHBondContact O-OG1 2.97Å; K363-K367 VanDerWaalsContact O-CB 3.25Å; K363-K367 WeakPolarHBondContact O-CB 3.23Å; K363-K367 WeakPolarHBondContact O-CD 3.12Å; K363-K367 WeakPolarHBondContact O-CG 3.37Å; K363-K367 PolarHBondContact O-N 2.83Å
364	R	75.7	Confident	70	Confident	147 Å²	147	79 Å²	79	56%	0.555	41%	0.412	S	S	*	.	H	α-helix	trans	-60.5	-44.4	178.5	-69.2	167.3	-163.5	-167.3	2.1	111.1	D360 L361 L362	D360-R364 WeakPolarHBondContact O-CG 3.33Å; D360-R364 PolarHBondContact O-N 3.25Å; D360-R364 IonicContact OD2-CZ 2.78Å; D360-R364 IonicContact OD2-NE 3.19Å; D360-R364 PolarHBondContact OD2-NE 3.08Å; D360-R364 IonicContact OD2-NH2 3.49Å; D360-R364 PolarHBondContact OD2-NH2 3.06Å; L361-R364 WeakPolarHBondContact O-CB 3.33Å; L361-R364 PolarHBondContact O-N 3.31Å; L362-R364 PolarHBondContact O-N 3.46Å
365	Y	70.2	Confident	67.8	Low	71 Å²	71	82.7 Å²	82.7	28%	0.278	43%	0.429	S	S	.	.	H	α-helix	trans	-74.7	-37.4	-179.6	-77.6	-79	0	0	0	113.2	L361 L362 K363 A411 L412 E415	L361-Y365 HydrophobicContact CD1-CD2 4.39Å; L361-Y365 HydrophobicContact CD1-CE2 4.06Å; L362-Y365 PolarHBondContact O-N 3.49Å; K363-Y365 VanDerWaalsContact C-N 3.33Å; K363-Y365 PolarHBondContact O-N 2.9Å; Y365-A411 HydrophobicContact CD1-CB 3.76Å; Y365-A411 HydrophobicContact CE1-CB 4.2Å; Y365-A411 HydrophobicContact CG-CB 4.24Å; Y365-L412 HydrophobicContact CD2-CD2 3.72Å; Y365-L412 HydrophobicContact CE2-CD2 3.85Å; Y365-E415 HydrophobicContact CE2-CG 4.05Å; Y365-E415 WeakPolarHBondContact OH-CG 3.46Å; Y365-E415 PolarHBondContact OH-OE1 2.81Å; Y365-E415 VanDerWaalsContact OH-OE1 3.13Å
366	T	65.3	Low	65.5	Low	37 Å²	37	83.4 Å²	83.4	23%	0.227	44%	0.439	C	S	.	.	H	α-helix	trans	-71.8	-38.4	176.5	57.4	0	0	0	0	113.2	L362 K363 S368 S369 M408	L362-T366 PolarHBondContact O-N 3.41Å; L362-T366 PolarHBondContact O-OG1 3.16Å; K363-T366 WeakPolarHBondContact CA-OG1 3.28Å; K363-T366 PolarHBondContact O-OG1 2.97Å; T366-S368 PolarHBondContact O-N 3.21Å; T366-S368 VanDerWaalsContact O-N 3.14Å; T366-S369 WeakPolarHBondContact O-CB 3.29Å; T366-S369 PolarHBondContact O-N 3.38Å; T366-S369 VanDerWaalsContact O-N 3.11Å; T366-M408 HydrophobicContact CG2-CE 4.37Å; T366-M408 HydrophobicContact CG2-SD 3.94Å
367	K	55.2	Low	62.8	Low	135 Å²	135	80.9 Å²	80.9	59%	0.587	44%	0.438	S	S	*	.	H	α-helix	trans	-56.7	-27.8	175.8	-79	169.4	-179.8	172.7	0	113.6	K363 S369	K363-K367 VanDerWaalsContact O-CB 3.25Å; K363-K367 WeakPolarHBondContact O-CB 3.23Å; K363-K367 WeakPolarHBondContact O-CD 3.12Å; K363-K367 WeakPolarHBondContact O-CG 3.37Å; K363-K367 PolarHBondContact O-N 2.83Å; K367-S369 PolarHBondContact O-N 3.25Å
368	S	49.2	Very low	60.3	Low	72 Å²	72	84 Å²	84	50%	0.503	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.4	179.7	-171	0	0	0	0	114.3	T366	T366-S368 PolarHBondContact O-N 3.21Å; T366-S368 VanDerWaalsContact O-N 3.14Å
369	S	45.3	Very low	57.8	Low	102 Å²	102	92.1 Å²	92.1	71%	0.713	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-33.7	-174.7	-158.1	0	0	0	0	114	T366 K367	T366-S369 WeakPolarHBondContact O-CB 3.29Å; T366-S369 PolarHBondContact O-N 3.38Å; T366-S369 VanDerWaalsContact O-N 3.11Å; K367-S369 PolarHBondContact O-N 3.25Å
370	V	42.5	Very low	55.9	Low	59 Å²	59	94.3 Å²	94.3	36%	0.358	52%	0.515	S	S	.	.			trans	-143.4	117.3	-176.2	179.3	0	0	0	0	111.6	V372	V370-V372 HydrophobicContact CG1-CB 4.27Å; V370-V372 HydrophobicContact CG1-CG2 3.8Å
371	T	33.2	Very low	54.6	Low	140 Å²	140	94.3 Å²	94.3	86%	0.859	52%	0.518	S	S	*	.			trans	-98.2	93.5	167	52	0	0	0	0	110.4
372	V	42	Very low	53.8	Low	83 Å²	83	95.1 Å²	95.1	50%	0.503	53%	0.526	S	S	.	.			trans	-137	122	168.4	178.6	0	0	0	0	108.5	V370 R380	V370-V372 HydrophobicContact CG1-CB 4.27Å; V370-V372 HydrophobicContact CG1-CG2 3.8Å; V372-R380 PolarHBondContact O-NH1 3.44Å
373	D	45.4	Very low	53.7	Low	123 Å²	123	96.6 Å²	96.6	66%	0.658	53%	0.534	S	S	*	.			trans	42.4	134.9	163.4	-51.7	-24.9	0	0	0	120.2	N375 R380	D373-N375 PolarHBondContact O-N 2.73Å; D373-R380 PolarHBondContact O-NH1 2.99Å; D373-R380 PolarHBondContact O-NH2 3.19Å
374	V	53.5	Low	53.9	Low	137 Å²	137	97.1 Å²	97.1	83%	0.83	54%	0.536	S	S	*	.	S	Bend	trans	-76	-23.2	-175.2	-178.5	0	0	0	0	112.8
375	N	46.9	Very low	54.5	Low	148 Å²	148	92.3 Å²	92.3	79%	0.791	52%	0.518	S	S	*	.			trans	-91.5	-8.4	-156.5	-62.2	-0.6	0	0	0	116.3	D373 P377	D373-N375 PolarHBondContact O-N 2.73Å; N375-P377 WeakPolarHBondContact O-CD 3.43Å
376	T	43.7	Very low	55.6	Low	93 Å²	93	89.1 Å²	89.1	57%	0.571	51%	0.506	S	S	*	.	S	Bend	trans	-93.7	110.6	-178.8	-43.6	0	0	0	0	111.5	R380	T376-R380 PolarHBondContact O-NE 2.79Å; T376-R380 PolarHBondContact O-NH2 2.69Å
377	P	34.9	Very low	56.9	Low	97 Å²	97	88 Å²	88	63%	0.63	50%	0.499	S	S	*	.			trans	-71.3	134.1	-172.4	26.1	-33.7	0	0	0	113.9	N375 I379	N375-P377 WeakPolarHBondContact O-CD 3.43Å; P377-I379 VanDerWaalsContact C-N 3.33Å; P377-I379 PolarHBondContact O-N 3.03Å
378	S	37.8	Very low	58.7	Low	118 Å²	118	82.5 Å²	82.5	83%	0.825	48%	0.476	S	S	*	.	S	Bend	trans	60.7	-25	149.2	-56.4	0	0	0	0	122.4	R380	S378-R380 PolarHBondContact O-N 3.08Å
379	I	39.4	Very low	60.7	Low	172 Å²	172	79.4 Å²	79.4	88%	0.882	46%	0.455	S	S	*	.			trans	-79.2	47.1	-179.8	-36.8	179.1	0	0	0	111.7	P377	P377-I379 VanDerWaalsContact C-N 3.33Å; P377-I379 PolarHBondContact O-N 3.03Å
380	R	51.9	Low	62.6	Low	122 Å²	122	80.5 Å²	80.5	46%	0.46	46%	0.459	S	S	.	.			trans	-122.5	17	-165.1	-53.1	-158.1	-159.6	-168.2	12.6	115.9	V372 D373 T376 S378	V372-R380 PolarHBondContact O-NH1 3.44Å; D373-R380 PolarHBondContact O-NH1 2.99Å; D373-R380 PolarHBondContact O-NH2 3.19Å; T376-R380 PolarHBondContact O-NE 2.79Å; T376-R380 PolarHBondContact O-NH2 2.69Å; S378-R380 PolarHBondContact O-N 3.08Å
381	S	58.5	Low	64.5	Low	42 Å²	42	79.3 Å²	79.3	29%	0.294	45%	0.45	S	S	.	.	S	Bend	trans	-148.1	132.5	172.7	-171.3	0	0	0	0	107.1	L383	S381-L383 PolarHBondContact O-N 2.85Å
382	G	72	Confident	67.2	Low	16 Å²	16	72.7 Å²	72.7	17%	0.165	41%	0.41	C	S	.	.			trans	-74.8	37.8	174.3	0	0	0	0	0	112.4	Y399 A400	G382-Y399 CarbonylContact O-C 3.58Å; G382-Y399 WeakPolarHBondContact O-CA 3.42Å; G382-Y399 WeakPolarHBondContact O-CB 3.42Å; G382-Y399 VanDerWaalsContact O-CD1 3.3Å; G382-Y399 WeakPolarHBondContact O-CD1 3.29Å; G382-A400 PolarHBondContact O-N 2.72Å
383	L	83.9	Confident	69.5	Low	32 Å²	32	69.2 Å²	69.2	17%	0.168	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	105.7	-178.9	173.1	63.5	0	0	0	107.8	R359 L362 S381 V386 V397 Y399	R359-L383 HydrophobicContact CG-CD2 4.42Å; L362-L383 HydrophobicContact CD1-CD1 3.8Å; L362-L383 HydrophobicContact CD1-CD2 3.68Å; L362-L383 HydrophobicContact CD1-CG 4.4Å; S381-L383 PolarHBondContact O-N 2.85Å; L383-V386 HydrophobicContact CD1-CG2 3.8Å; L383-V386 HydrophobicContact CD2-CG2 3.87Å; L383-V386 HydrophobicContact CG-CG2 4.14Å; L383-V397 HydrophobicContact CD1-CG1 3.56Å; L383-Y399 HydrophobicContact CB-CD1 4.43Å; L383-Y399 HydrophobicContact CB-CE1 4.15Å; L383-Y399 HydrophobicContact CD1-CE1 4.31Å; L383-Y399 HydrophobicContact CD1-CE2 4.31Å
384	K	85.8	Confident	71.7	Confident	93 Å²	93	63.8 Å²	63.8	40%	0.404	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-43.5	-174.8	179.4	176.5	166.6	-156.9	0	111.9	E398 S435	K384-E398 WeakPolarHBondContact CA-O 3.37Å; K384-E398 HydrophobicContact CB-CG 4.26Å; K384-E398 WeakPolarHBondContact CB-O 3.17Å; K384-E398 HydrophobicContact CD-CG 4.21Å; K384-E398 WeakPolarHBondContact CD-OE1 3.37Å; K384-E398 VanDerWaalsContact CE-OE1 3.24Å; K384-E398 WeakPolarHBondContact CE-OE1 3.4Å; K384-E398 PolarHBondContact N-O 3.42Å; K384-E398 IonicContact NZ-OE1 2.87Å; K384-E398 PolarHBondContact NZ-OE1 2.81Å; K384-S435 VanDerWaalsContact CE-OG 3.22Å; K384-S435 WeakPolarHBondContact CE-OG 3.44Å
385	R	88.5	Confident	73.6	Confident	47 Å²	47	57.3 Å²	57.3	18%	0.177	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.8	-178.7	169	167.1	51.9	174.2	-16.4	111.8	H292 L387 E398 K433	H292-R385 PolarHBondContact O-NH1 3.13Å; R385-L387 HydrophobicContact CG-CD1 4.49Å; R385-L387 HydrophobicContact CG-CD2 4.16Å; R385-L387 HydrophobicContact CG-CG 3.88Å; R385-E398 HydrophobicContact CB-CB 4.15Å; R385-E398 IonicContact CZ-OE2 2.69Å; R385-E398 PolarHBondContact N-O 2.82Å; R385-E398 VanDerWaalsContact N-O 3.09Å; R385-E398 IonicContact NE-OE2 2.7Å; R385-E398 PolarHBondContact NE-OE2 3.25Å; R385-E398 IonicContact NH2-OE1 2.74Å; R385-E398 IonicContact NH2-OE2 3.1Å; R385-E398 PolarHBondContact NH2-OE2 2.79Å; R385-E398 PolarHBondContact O-N 2.88Å; R385-K433 PolarHBondContact NH2-O 3.08Å
386	V	92.5	Very high	75.7	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.6	162.9	-176.3	0	0	0	0	106.4	E355 V358 R359 L362 L383 V388 I396	E355-V386 HydrophobicContact CG-CB 4.03Å; E355-V386 HydrophobicContact CG-CG1 3.79Å; V358-V386 HydrophobicContact CB-CG1 4.41Å; V358-V386 HydrophobicContact CG1-CG1 3.93Å; R359-V386 HydrophobicContact CG-CB 4.42Å; R359-V386 HydrophobicContact CG-CG2 3.88Å; L362-V386 HydrophobicContact CD1-CG2 4.08Å; L383-V386 HydrophobicContact CD1-CG2 3.8Å; L383-V386 HydrophobicContact CD2-CG2 3.87Å; L383-V386 HydrophobicContact CG-CG2 4.14Å; V386-V388 HydrophobicContact CG1-CG2 3.96Å; V386-I396 CarbonylContact C-O 3.49Å; V386-I396 VanDerWaalsContact CA-O 3.32Å; V386-I396 WeakPolarHBondContact CA-O 3.38Å
387	L	92.7	Very high	78.1	Confident	14 Å²	14	46 Å²	46	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125	172.7	-62.8	174.1	0	0	0	108.6	F288 H292 V294 R385 A395 I396	F288-L387 HydrophobicContact CE1-CB 4.44Å; H292-L387 HydrophobicContact CB-CD1 3.8Å; H292-L387 HydrophobicContact CB-CD2 3.81Å; H292-L387 HydrophobicContact CB-CG 4.43Å; V294-L387 HydrophobicContact CG2-CD1 3.89Å; R385-L387 HydrophobicContact CG-CD1 4.49Å; R385-L387 HydrophobicContact CG-CD2 4.16Å; R385-L387 HydrophobicContact CG-CG 3.88Å; L387-A395 CarbonylContact O-C 3.57Å; L387-A395 VanDerWaalsContact O-CA 3.28Å; L387-A395 WeakPolarHBondContact O-CA 3.37Å; L387-I396 HydrophobicContact CB-CB 4.31Å; L387-I396 PolarHBondContact N-O 3.25Å; L387-I396 PolarHBondContact O-N 3.28Å
388	V	93.2	Very high	80.7	Confident	18 Å²	18	41.9 Å²	41.9	11%	0.109	23%	0.229	C	C	.	.			trans	-127.9	116	179.6	-178	0	0	0	0	108.2	F288 E355 V358 V386 A395	F288-V388 WeakPolarHBondContact CZ-O 3.35Å; E355-V388 HydrophobicContact CB-CB 4.3Å; E355-V388 HydrophobicContact CB-CG2 4.01Å; E355-V388 HydrophobicContact CG-CG2 4.07Å; V358-V388 HydrophobicContact CB-CG2 4.47Å; V358-V388 HydrophobicContact CG2-CG2 4.03Å; V386-V388 HydrophobicContact CG1-CG2 3.96Å; V388-A395 HydrophobicContact CG2-CB 3.79Å
389	P	91	Very high	83.1	Confident	8 Å²	8	36.4 Å²	36.4	5%	0.052	19%	0.19	C	C	.	.			trans	-61.8	158.8	174.4	-21.2	34	0	0	0	111.6	M285 F288 F289 L391 G392 T394	M285-P389 HydrophobicContact CG-CB 4.14Å; M285-P389 HydrophobicContact CG-CG 4.16Å; M285-P389 HydrophobicContact SD-CG 4.44Å; F288-P389 HydrophobicContact CD1-CB 3.92Å; F288-P389 HydrophobicContact CD1-CG 3.81Å; F288-P389 HydrophobicContact CE1-CB 4.25Å; F288-P389 HydrophobicContact CE1-CG 4.05Å; F288-P389 HydrophobicContact CG-CB 4.19Å; F289-P389 HydrophobicContact CE1-CG 3.69Å; F289-P389 HydrophobicContact CE2-CG 4.27Å; F289-P389 HydrophobicContact CZ-CG 3.51Å; P389-L391 VanDerWaalsContact C-N 3.26Å; P389-L391 PolarHBondContact O-N 2.85Å; P389-G392 PolarHBondContact O-N 3.44Å; P389-T394 WeakPolarHBondContact CD-O 3.19Å
390	P	85.2	Confident	85.2	Confident	125 Å²	125	30.8 Å²	30.8	81%	0.812	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.2	-164.7	-31.1	36.9	0	0	0	117	F288	F288-P390 HydrophobicContact CD2-CG 4.38Å
391	L	83.5	Confident	86.4	Confident	33 Å²	33	26.7 Å²	26.7	17%	0.173	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.3	178.1	-170.5	58.2	0	0	0	114.6	Y249 A252 A351 G352 P389 I393	Y249-L391 VanDerWaalsContact CB-CD2 3.44Å; Y249-L391 HydrophobicContact CD2-CD2 3.59Å; Y249-L391 HydrophobicContact CG-CD2 4Å; A252-L391 HydrophobicContact CB-CD1 4.08Å; A351-L391 CarbonylContact C-O 3.56Å; A351-L391 WeakPolarHBondContact CA-O 3.22Å; A351-L391 HydrophobicContact CB-CD1 4Å; A351-L391 HydrophobicContact CB-CD2 4.46Å; A351-L391 HydrophobicContact CB-CG 4.07Å; G352-L391 PolarHBondContact N-O 3.32Å; P389-L391 VanDerWaalsContact C-N 3.26Å; P389-L391 PolarHBondContact O-N 2.85Å; L391-I393 HydrophobicContact CD2-CD1 3.58Å; L391-I393 HydrophobicContact CD2-CG1 4.25Å; L391-I393 HydrophobicContact CG-CD1 4.05Å; L391-I393 HydrophobicContact CG-CG1 4.19Å; L391-I393 PolarHBondContact O-N 3.47Å
392	G	89	Confident	87.5	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.143	C	C	.	.			trans	78.9	6.7	171.8	0	0	0	0	0	117.7	L349 T353 P389 T394	L349-G392 WeakPolarHBondContact CB-O 3.23Å; L349-G392 WeakPolarHBondContact CD1-O 3.34Å; T353-G392 WeakPolarHBondContact O-CA 3.42Å; P389-G392 PolarHBondContact O-N 3.44Å; G392-T394 VanDerWaalsContact C-N 3.26Å; G392-T394 PolarHBondContact O-N 3.13Å
393	I	90	Very high	87.7	Confident	10 Å²	10	25.6 Å²	25.6	5%	0.051	14%	0.142	C	C	.	.	S	Bend	trans	-66.8	-26.6	-178.5	-61.7	162.4	0	0	0	112.8	I241 A245 L281 N348 L349 L391	I241-I393 HydrophobicContact CG2-CG2 4.43Å; A245-I393 HydrophobicContact CB-CD1 4.04Å; A245-I393 HydrophobicContact CB-CG1 4.31Å; A245-I393 HydrophobicContact CB-CG2 3.84Å; L281-I393 HydrophobicContact CD2-CD1 3.77Å; N348-I393 PolarHBondContact N-O 2.81Å; L349-I393 PolarHBondContact N-O 3.33Å; L349-I393 VanDerWaalsContact N-O 3.11Å; L391-I393 HydrophobicContact CD2-CD1 3.58Å; L391-I393 HydrophobicContact CD2-CG1 4.25Å; L391-I393 HydrophobicContact CG-CD1 4.05Å; L391-I393 HydrophobicContact CG-CG1 4.19Å; L391-I393 PolarHBondContact O-N 3.47Å
394	T	91.4	Very high	87.5	Confident	10 Å²	10	25.6 Å²	25.6	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.7	-179.4	63.6	0	0	0	0	111.2	M285 I346 K347 P389 G392	M285-T394 HydrophobicContact SD-CG2 4.28Å; I346-T394 CarbonylContact O-C 3.48Å; I346-T394 VanDerWaalsContact O-CA 3.23Å; I346-T394 WeakPolarHBondContact O-CA 3.35Å; K347-T394 HydrophobicContact CG-CG2 4.3Å; P389-T394 WeakPolarHBondContact CD-O 3.19Å; G392-T394 VanDerWaalsContact C-N 3.26Å; G392-T394 PolarHBondContact O-N 3.13Å
395	A	92.9	Very high	87.5	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	128.6	175	0	0	0	0	0	111.5	L345 I346 L349 V358 L387 V388	L345-A395 CarbonylContact C-O 3.56Å; L345-A395 WeakPolarHBondContact CA-O 3.43Å; I346-A395 HydrophobicContact CB-CB 4.35Å; I346-A395 PolarHBondContact N-O 3.2Å; I346-A395 PolarHBondContact O-N 3.45Å; L349-A395 HydrophobicContact CD1-CB 3.68Å; V358-A395 HydrophobicContact CG1-CB 4.14Å; V358-A395 HydrophobicContact CG2-CB 4.13Å; L387-A395 CarbonylContact O-C 3.57Å; L387-A395 VanDerWaalsContact O-CA 3.28Å; L387-A395 WeakPolarHBondContact O-CA 3.37Å; V388-A395 HydrophobicContact CG2-CB 3.79Å
396	I	92.5	Very high	87.1	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131	168.5	-62.6	171.5	0	0	0	108.2	F289 V294 L345 V386 L387 L427 L432	F289-I396 HydrophobicContact CD1-CD1 3.66Å; F289-I396 HydrophobicContact CE1-CD1 3.51Å; F289-I396 HydrophobicContact CE1-CG1 3.98Å; F289-I396 HydrophobicContact CG-CD1 4.34Å; F289-I396 HydrophobicContact CZ-CD1 4.07Å; F289-I396 HydrophobicContact CZ-CG1 4.35Å; V294-I396 HydrophobicContact CG1-CD1 4.25Å; V294-I396 HydrophobicContact CG2-CD1 4.03Å; L345-I396 HydrophobicContact CD1-CG1 3.78Å; V386-I396 CarbonylContact C-O 3.49Å; V386-I396 VanDerWaalsContact CA-O 3.32Å; V386-I396 WeakPolarHBondContact CA-O 3.38Å; L387-I396 HydrophobicContact CB-CB 4.31Å; L387-I396 PolarHBondContact N-O 3.25Å; L387-I396 PolarHBondContact O-N 3.28Å; I396-L427 HydrophobicContact CD1-CD2 4.4Å; I396-L427 HydrophobicContact CG1-CD1 4.45Å; I396-L427 HydrophobicContact CG2-CD1 4.03Å; I396-L427 HydrophobicContact CG2-CD2 3.7Å; I396-L432 HydrophobicContact CG2-CD2 4.34Å
397	V	92.5	Very high	86.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124	-179.8	-175.4	0	0	0	0	108.9	A343 F344 I346 V358 L362 L383 Y399	A343-V397 CarbonylContact C-O 3.54Å; A343-V397 WeakPolarHBondContact CA-O 3.46Å; F344-V397 HydrophobicContact CD2-CB 4.26Å; F344-V397 HydrophobicContact CE2-CB 3.91Å; F344-V397 HydrophobicContact CE2-CG1 4.34Å; F344-V397 HydrophobicContact CE2-CG2 4.19Å; F344-V397 HydrophobicContact CZ-CB 4.15Å; F344-V397 HydrophobicContact CZ-CG1 4.11Å; F344-V397 PolarHBondContact N-O 3.1Å; F344-V397 PolarHBondContact O-N 3.47Å; I346-V397 HydrophobicContact CD1-CG2 3.81Å; I346-V397 HydrophobicContact CG1-CG2 4.26Å; V358-V397 HydrophobicContact CG1-CG2 4.38Å; L362-V397 HydrophobicContact CD1-CG1 3.58Å; L362-V397 HydrophobicContact CD1-CG2 4.24Å; L362-V397 HydrophobicContact CD2-CG1 4.43Å; L383-V397 HydrophobicContact CD1-CG1 3.56Å; V397-Y399 HydrophobicContact CG1-CD2 4.17Å; V397-Y399 HydrophobicContact CG1-CE2 3.46Å; V397-Y399 VanDerWaalsContact CG1-CE2 3.46Å
398	E	91.3	Very high	86.2	Confident	11 Å²	11	26.3 Å²	26.3	5%	0.051	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.5	-179.1	-179.4	-173.3	-176.5	0	0	109.9	A343 K384 R385 L432	A343-E398 HydrophobicContact CB-CB 4.13Å; A343-E398 HydrophobicContact CB-CG 4.26Å; K384-E398 WeakPolarHBondContact CA-O 3.37Å; K384-E398 HydrophobicContact CB-CG 4.26Å; K384-E398 WeakPolarHBondContact CB-O 3.17Å; K384-E398 HydrophobicContact CD-CG 4.21Å; K384-E398 WeakPolarHBondContact CD-OE1 3.37Å; K384-E398 VanDerWaalsContact CE-OE1 3.24Å; K384-E398 WeakPolarHBondContact CE-OE1 3.4Å; K384-E398 PolarHBondContact N-O 3.42Å; K384-E398 IonicContact NZ-OE1 2.87Å; K384-E398 PolarHBondContact NZ-OE1 2.81Å; R385-E398 HydrophobicContact CB-CB 4.15Å; R385-E398 IonicContact CZ-OE2 2.69Å; R385-E398 PolarHBondContact N-O 2.82Å; R385-E398 VanDerWaalsContact N-O 3.09Å; R385-E398 IonicContact NE-OE2 2.7Å; R385-E398 PolarHBondContact NE-OE2 3.25Å; R385-E398 IonicContact NH2-OE1 2.74Å; R385-E398 IonicContact NH2-OE2 3.1Å; R385-E398 PolarHBondContact NH2-OE2 2.79Å; R385-E398 PolarHBondContact O-N 2.88Å; E398-L432 HydrophobicContact CB-CD1 3.99Å; E398-L432 HydrophobicContact CG-CD1 3.89Å
399	Y	87.8	Confident	85.9	Confident	3 Å²	3	26.1 Å²	26.1	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	156.4	171.8	-69.9	-98	0	0	0	111.2	T342 F344 G382 L383 V397 H401 Q404 A405 M408	T342-Y399 WeakPolarHBondContact CB-O 3.46Å; T342-Y399 PolarHBondContact O-N 3.26Å; F344-Y399 HydrophobicContact CE1-CD2 4.1Å; F344-Y399 AromaticContact CE1-CE2 3.68Å; F344-Y399 HydrophobicContact CE1-CE2 3.68Å; F344-Y399 AromaticContact CZ-CE2 3.9Å; F344-Y399 HydrophobicContact CZ-CE2 3.9Å; G382-Y399 CarbonylContact O-C 3.58Å; G382-Y399 WeakPolarHBondContact O-CA 3.42Å; G382-Y399 WeakPolarHBondContact O-CB 3.42Å; G382-Y399 VanDerWaalsContact O-CD1 3.3Å; G382-Y399 WeakPolarHBondContact O-CD1 3.29Å; L383-Y399 HydrophobicContact CB-CD1 4.43Å; L383-Y399 HydrophobicContact CB-CE1 4.15Å; L383-Y399 HydrophobicContact CD1-CE1 4.31Å; L383-Y399 HydrophobicContact CD1-CE2 4.31Å; V397-Y399 HydrophobicContact CG1-CD2 4.17Å; V397-Y399 HydrophobicContact CG1-CE2 3.46Å; V397-Y399 VanDerWaalsContact CG1-CE2 3.46Å; Y399-H401 VanDerWaalsContact C-N 3.27Å; Y399-H401 PolarHBondContact O-N 2.8Å; Y399-Q404 HydrophobicContact CD1-CB 3.65Å; Y399-Q404 HydrophobicContact CE1-CB 4.35Å; Y399-Q404 HydrophobicContact CG-CB 4.14Å; Y399-A405 HydrophobicContact CD2-CB 3.9Å; Y399-A405 HydrophobicContact CG-CB 4.25Å; Y399-M408 HydrophobicContact CE1-CG 4.05Å; Y399-M408 HydrophobicContact CE2-CB 4.17Å; Y399-M408 HydrophobicContact CE2-CG 4.35Å; Y399-M408 WeakPolarHBondContact OH-CE 3.47Å
400	A	82.1	Confident	85.5	Confident	55 Å²	55	30.3 Å²	30.3	46%	0.455	16%	0.162	S	C	.	.	S	Bend	trans	-69.6	-23.7	172.1	0	0	0	0	0	113	G382	G382-A400 PolarHBondContact O-N 2.72Å
401	H	77.9	Confident	85.4	Confident	36 Å²	36	24.8 Å²	24.8	17%	0.167	13%	0.127	C	C	.	.	S	Bend	trans	-132.6	135.3	-177.2	-51.4	-83.4	0	0	0	111.5	F141 Q146 Y399 Q403 Q404 A405	F141-H401 AromaticContact CE1-CE1 3.88Å; F141-H401 AromaticContact CE1-ND1 3.68Å; F141-H401 AromaticContact CE2-ND1 3.87Å; F141-H401 AromaticContact CZ-ND1 3.61Å; Q146-H401 PolarHBondContact OE1-CD2 3.37Å; Q146-H401 VanDerWaalsContact OE1-CD2 3.3Å; Y399-H401 VanDerWaalsContact C-N 3.27Å; Y399-H401 PolarHBondContact O-N 2.8Å; H401-Q403 PolarHBondContact O-N 3.06Å; H401-Q404 HydrophobicContact CB-CG 4.43Å; H401-Q404 PolarHBondContact O-N 3.27Å; H401-Q404 VanDerWaalsContact O-N 3.14Å; H401-A405 PolarHBondContact O-N 3.47Å
402	S	81.3	Confident	85.6	Confident	4 Å²	4	23.2 Å²	23.2	3%	0.028	12%	0.119	C	C	.	.	H	α-helix	trans	-55.8	-38.3	177.5	61.8	0	0	0	0	112.2	E121 G341 Q404 A405 R406	E121-S402 VanDerWaalsContact CD-OG 3.29Å; E121-S402 PolarHBondContact OE1-OG 2.81Å; E121-S402 VanDerWaalsContact OE2-CB 3.29Å; E121-S402 WeakPolarHBondContact OE2-CB 3.48Å; E121-S402 PolarHBondContact OE2-OG 2.89Å; G341-S402 VanDerWaalsContact O-CA 3.28Å; G341-S402 WeakPolarHBondContact O-CA 3.36Å; S402-Q404 VanDerWaalsContact C-N 3.34Å; S402-Q404 PolarHBondContact O-N 3.33Å; S402-A405 PolarHBondContact O-N 2.72Å; S402-R406 WeakPolarHBondContact O-CB 3.22Å; S402-R406 WeakPolarHBondContact O-CD 3.35Å; S402-R406 WeakPolarHBondContact O-CG 3.38Å; S402-R406 PolarHBondContact O-N 2.75Å
403	Q	76.5	Confident	85.5	Confident	31 Å²	31	23.2 Å²	23.2	15%	0.145	12%	0.119	C	C	.	.	H	α-helix	trans	-56.5	-46.3	177.9	-50.2	-148.5	-52.4	0	0	112.1	H138 L139 F141 H401 R406 L407	H138-Q403 PolarHBondContact CD2-NE2 2.91Å; H138-Q403 PolarHBondContact CE1-NE2 2.92Å; H138-Q403 PolarHBondContact ND1-NE2 2.97Å; H138-Q403 PolarHBondContact NE2-NE2 3.11Å; L139-Q403 PolarHBondContact O-NE2 3.19Å; L139-Q403 PolarHBondContact O-OE1 2.99Å; F141-Q403 HydrophobicContact CD2-CG 4.13Å; H401-Q403 PolarHBondContact O-N 3.06Å; Q403-R406 PolarHBondContact O-N 2.83Å; Q403-L407 WeakPolarHBondContact O-CB 3.4Å; Q403-L407 VanDerWaalsContact O-CG 3.27Å; Q403-L407 WeakPolarHBondContact O-CG 3.36Å; Q403-L407 PolarHBondContact O-N 3.48Å
404	Q	79	Confident	85.2	Confident	31 Å²	31	25.3 Å²	25.3	15%	0.145	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-44.9	179	-63.1	-166.1	30.3	0	0	110.6	Q146 Y399 H401 S402 R406 L407 M408	Q146-Q404 VanDerWaalsContact CD-NE2 3.26Å; Y399-Q404 HydrophobicContact CD1-CB 3.65Å; Y399-Q404 HydrophobicContact CE1-CB 4.35Å; Y399-Q404 HydrophobicContact CG-CB 4.14Å; H401-Q404 HydrophobicContact CB-CG 4.43Å; H401-Q404 PolarHBondContact O-N 3.27Å; H401-Q404 VanDerWaalsContact O-N 3.14Å; S402-Q404 VanDerWaalsContact C-N 3.34Å; S402-Q404 PolarHBondContact O-N 3.33Å; Q404-R406 VanDerWaalsContact C-N 3.33Å; Q404-R406 PolarHBondContact O-N 3.41Å; Q404-L407 PolarHBondContact O-N 2.89Å; Q404-M408 WeakPolarHBondContact O-CB 3.37Å; Q404-M408 VanDerWaalsContact O-CG 3.23Å; Q404-M408 WeakPolarHBondContact O-CG 3.19Å; Q404-M408 PolarHBondContact O-N 2.87Å
405	A	85.8	Confident	84.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-44.8	176.2	0	0	0	0	0	111.9	G341 T342 F344 Y399 H401 S402 M408 Y409 W426	G341-A405 WeakPolarHBondContact O-CB 3.26Å; T342-A405 VanDerWaalsContact O-CB 3.31Å; T342-A405 WeakPolarHBondContact O-CB 3.15Å; F344-A405 HydrophobicContact CD1-CB 4.41Å; F344-A405 HydrophobicContact CE1-CB 4.45Å; Y399-A405 HydrophobicContact CD2-CB 3.9Å; Y399-A405 HydrophobicContact CG-CB 4.25Å; H401-A405 PolarHBondContact O-N 3.47Å; S402-A405 PolarHBondContact O-N 2.72Å; A405-M408 PolarHBondContact O-N 2.89Å; A405-Y409 WeakPolarHBondContact O-CB 3.49Å; A405-Y409 PolarHBondContact O-N 3.41Å; A405-W426 HydrophobicContact CB-CH2 3.91Å; A405-W426 HydrophobicContact CB-CZ3 3.87Å
406	R	80.9	Confident	84.5	Confident	67 Å²	67	29.4 Å²	29.4	25%	0.253	15%	0.151	S	C	.	.	H	α-helix	trans	-67.3	-41.2	-179.1	-70.3	164.2	178.7	-157.1	-3.6	112.6	D136 I137 S402 Q403 Q404 K410 W426	D136-R406 VanDerWaalsContact CG-NH1 3.33Å; D136-R406 IonicContact OD1-CZ 2.75Å; D136-R406 IonicContact OD1-NH1 2.76Å; D136-R406 PolarHBondContact OD1-NH1 2.82Å; D136-R406 IonicContact OD1-NH2 3.68Å; D136-R406 PolarHBondContact OD1-NH2 2.85Å; D136-R406 IonicContact OD2-NH1 2.67Å; D136-R406 PolarHBondContact OD2-NH1 2.77Å; I137-R406 PolarHBondContact O-NH1 2.86Å; S402-R406 WeakPolarHBondContact O-CB 3.22Å; S402-R406 WeakPolarHBondContact O-CD 3.35Å; S402-R406 WeakPolarHBondContact O-CG 3.38Å; S402-R406 PolarHBondContact O-N 2.75Å; Q403-R406 PolarHBondContact O-N 2.83Å; Q404-R406 VanDerWaalsContact C-N 3.33Å; Q404-R406 PolarHBondContact O-N 3.41Å; R406-K410 WeakPolarHBondContact O-CG 3.37Å; R406-K410 PolarHBondContact O-N 2.95Å; R406-W426 HydrophobicContact CB-CH2 4.36Å; R406-W426 HydrophobicContact CB-CZ2 4.5Å; R406-W426 HydrophobicContact CG-CH2 3.73Å; R406-W426 HydrophobicContact CG-CZ2 3.92Å
407	L	80	Confident	84.2	Confident	95 Å²	95	29.9 Å²	29.9	50%	0.497	15%	0.153	S	C	.	.	H	α-helix	trans	-63.7	-43.9	174	-71.4	168.5	0	0	0	111.1	F194 Q403 Q404 K410 A411	F194-L407 HydrophobicContact CE2-CD2 3.85Å; F194-L407 HydrophobicContact CZ-CB 4.4Å; F194-L407 HydrophobicContact CZ-CD2 3.69Å; Q403-L407 WeakPolarHBondContact O-CB 3.4Å; Q403-L407 VanDerWaalsContact O-CG 3.27Å; Q403-L407 WeakPolarHBondContact O-CG 3.36Å; Q403-L407 PolarHBondContact O-N 3.48Å; Q404-L407 PolarHBondContact O-N 2.89Å; L407-K410 PolarHBondContact O-N 3.49Å; L407-A411 WeakPolarHBondContact O-CB 3.29Å; L407-A411 PolarHBondContact O-N 2.84Å
408	M	86.2	Confident	83.9	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.059	18%	0.175	C	C	.	.	H	α-helix	trans	-70.6	-37.6	179.3	-69.7	-63.4	-64.8	0	0	112.5	F344 L362 T366 Y399 Q404 A405 A411 L412	F344-M408 HydrophobicContact CE1-CB 4.2Å; F344-M408 HydrophobicContact CZ-CB 4.17Å; L362-M408 HydrophobicContact CB-CE 4.14Å; L362-M408 HydrophobicContact CD2-CE 3.76Å; T366-M408 HydrophobicContact CG2-CE 4.37Å; T366-M408 HydrophobicContact CG2-SD 3.94Å; Y399-M408 HydrophobicContact CE1-CG 4.05Å; Y399-M408 HydrophobicContact CE2-CB 4.17Å; Y399-M408 HydrophobicContact CE2-CG 4.35Å; Y399-M408 WeakPolarHBondContact OH-CE 3.47Å; Q404-M408 WeakPolarHBondContact O-CB 3.37Å; Q404-M408 VanDerWaalsContact O-CG 3.23Å; Q404-M408 WeakPolarHBondContact O-CG 3.19Å; Q404-M408 PolarHBondContact O-N 2.87Å; A405-M408 PolarHBondContact O-N 2.89Å; M408-A411 PolarHBondContact O-N 3.06Å; M408-L412 HydrophobicContact CE-CD1 4.08Å; M408-L412 VanDerWaalsContact O-CB 3.29Å; M408-L412 WeakPolarHBondContact O-CB 3.47Å; M408-L412 VanDerWaalsContact O-CG 3.25Å; M408-L412 WeakPolarHBondContact O-CG 3.47Å; M408-L412 PolarHBondContact O-N 2.79Å
409	Y	87.2	Confident	83.5	Confident	13 Å²	13	43.1 Å²	43.1	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-50.7	172.3	-174.1	-79.2	0	0	0	110.6	S230 F344 A405 A411 L412 A413 L424 W426	S230-Y409 VanDerWaalsContact O-CE1 3.27Å; S230-Y409 WeakPolarHBondContact O-CE1 3.24Å; S230-Y409 PolarHBondContact O-OH 3.01Å; F344-Y409 HydrophobicContact CB-CD2 3.88Å; F344-Y409 HydrophobicContact CB-CE2 4.32Å; F344-Y409 HydrophobicContact CD1-CD2 4.26Å; F344-Y409 HydrophobicContact CG-CD2 4.04Å; A405-Y409 WeakPolarHBondContact O-CB 3.49Å; A405-Y409 PolarHBondContact O-N 3.41Å; Y409-A411 VanDerWaalsContact C-N 3.3Å; Y409-A411 PolarHBondContact O-N 2.82Å; Y409-L412 PolarHBondContact O-N 3.17Å; Y409-A413 WeakPolarHBondContact O-CB 3.44Å; Y409-A413 PolarHBondContact O-N 2.83Å; Y409-L424 HydrophobicContact CD2-CB 4.01Å; Y409-L424 HydrophobicContact CD2-CD2 4.03Å; Y409-L424 HydrophobicContact CE2-CB 3.75Å; Y409-L424 HydrophobicContact CG-CD2 4.27Å; Y409-L424 PolarHBondContact OH-O 3.13Å; Y409-W426 HydrophobicContact CD1-CZ2 4.15Å; Y409-W426 AromaticContact CD1-NE1 3.95Å; Y409-W426 AromaticContact CD2-CD2 3.96Å; Y409-W426 HydrophobicContact CD2-CD2 3.96Å; Y409-W426 AromaticContact CD2-CE2 3.49Å; Y409-W426 VanDerWaalsContact CD2-CE2 3.49Å; Y409-W426 HydrophobicContact CD2-CG 4.38Å; Y409-W426 HydrophobicContact CD2-CH2 4.3Å; Y409-W426 AromaticContact CD2-CZ2 3.69Å; Y409-W426 HydrophobicContact CD2-CZ2 3.69Å; Y409-W426 AromaticContact CD2-NE1 3.66Å; Y409-W426 AromaticContact CE1-NE1 3.73Å; Y409-W426 AromaticContact CE2-CD1 3.57Å; Y409-W426 HydrophobicContact CE2-CD2 4.01Å; Y409-W426 AromaticContact CE2-CE2 3.7Å; Y409-W426 AromaticContact CE2-CG 3.94Å; Y409-W426 HydrophobicContact CE2-CG 3.94Å; Y409-W426 HydrophobicContact CE2-CZ2 4.35Å; Y409-W426 AromaticContact CE2-NE1 3.4Å; Y409-W426 AromaticContact CG-CE2 3.76Å; Y409-W426 HydrophobicContact CG-CH2 4.31Å; Y409-W426 AromaticContact CG-CZ2 3.57Å; Y409-W426 HydrophobicContact CG-CZ2 3.57Å; Y409-W426 AromaticContact CG-NE1 3.93Å; Y409-W426 AromaticContact CZ-CD1 3.68Å; Y409-W426 AromaticContact CZ-NE1 3.44Å
410	K	82.5	Confident	83.3	Confident	96 Å²	96	43.9 Å²	43.9	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-32	176.5	-70.9	-175.2	-179.8	-174.5	0	112.9	E189 K227 R406 L407	E189-K410 IonicContact OE1-NZ 3.79Å; E189-K410 PolarHBondContact OE1-NZ 3.5Å; K227-K410 WeakPolarHBondContact CE-O 3.33Å; K227-K410 PolarHBondContact NZ-O 3.28Å; R406-K410 WeakPolarHBondContact O-CG 3.37Å; R406-K410 PolarHBondContact O-N 2.95Å; L407-K410 PolarHBondContact O-N 3.49Å
411	A	83.5	Confident	83.5	Confident	10 Å²	10	43.9 Å²	43.9	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-47.9	174.2	0	0	0	0	0	112.2	F194 K227 Y365 L407 M408 Y409	F194-A411 HydrophobicContact CE1-CB 4.41Å; K227-A411 PolarHBondContact NZ-O 3.09Å; Y365-A411 HydrophobicContact CD1-CB 3.76Å; Y365-A411 HydrophobicContact CE1-CB 4.2Å; Y365-A411 HydrophobicContact CG-CB 4.24Å; L407-A411 WeakPolarHBondContact O-CB 3.29Å; L407-A411 PolarHBondContact O-N 2.84Å; M408-A411 PolarHBondContact O-N 3.06Å; Y409-A411 VanDerWaalsContact C-N 3.3Å; Y409-A411 PolarHBondContact O-N 2.82Å
412	L	87.9	Confident	84.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-89	-18.4	-171.2	-64.6	168.2	0	0	0	114.9	F344 L361 L362 Y365 M408 Y409 Y414 E415 L424	F344-L412 HydrophobicContact CE2-CD1 4.18Å; F344-L412 HydrophobicContact CZ-CD1 4.04Å; L361-L412 HydrophobicContact CD1-CD2 4.12Å; L361-L412 HydrophobicContact CD2-CD2 4.02Å; L361-L412 HydrophobicContact CG-CD2 3.87Å; L362-L412 HydrophobicContact CD2-CD1 3.51Å; Y365-L412 HydrophobicContact CD2-CD2 3.72Å; Y365-L412 HydrophobicContact CE2-CD2 3.85Å; M408-L412 HydrophobicContact CE-CD1 4.08Å; M408-L412 VanDerWaalsContact O-CB 3.29Å; M408-L412 WeakPolarHBondContact O-CB 3.47Å; M408-L412 VanDerWaalsContact O-CG 3.25Å; M408-L412 WeakPolarHBondContact O-CG 3.47Å; M408-L412 PolarHBondContact O-N 2.79Å; Y409-L412 PolarHBondContact O-N 3.17Å; L412-Y414 PolarHBondContact O-N 2.88Å; L412-E415 WeakPolarHBondContact O-CB 3.39Å; L412-E415 PolarHBondContact O-N 2.83Å; L412-L424 HydrophobicContact CB-CD1 4.05Å; L412-L424 HydrophobicContact CB-CD2 3.64Å; L412-L424 HydrophobicContact CD1-CD2 4.42Å
413	A	85.5	Confident	84.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	123.9	178.5	0	0	0	0	0	111	K227 S230 Y409 E415	K227-A413 PolarHBondContact NZ-O 3.14Å; S230-A413 VanDerWaalsContact OG-CB 3.29Å; S230-A413 WeakPolarHBondContact OG-CB 3.37Å; Y409-A413 WeakPolarHBondContact O-CB 3.44Å; Y409-A413 PolarHBondContact O-N 2.83Å; A413-E415 PolarHBondContact O-N 2.87Å
414	Y	84.6	Confident	84.9	Confident	54 Å²	54	44.8 Å²	44.8	21%	0.212	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	21.6	-172	-64.2	-92.4	0	0	0	114.6	F223 L226 L412 V421 L422 F423	F223-Y414 WeakPolarHBondContact CE2-O 3.25Å; F223-Y414 WeakPolarHBondContact CZ-O 3.43Å; L226-Y414 HydrophobicContact CB-CD1 4.04Å; L226-Y414 HydrophobicContact CB-CD2 4.18Å; L226-Y414 HydrophobicContact CB-CE1 3.85Å; L226-Y414 HydrophobicContact CB-CE2 4.01Å; L226-Y414 HydrophobicContact CB-CG 4.2Å; L226-Y414 HydrophobicContact CD1-CD1 4.33Å; L226-Y414 HydrophobicContact CD1-CE1 4.06Å; L226-Y414 HydrophobicContact CD2-CE1 4.27Å; L226-Y414 HydrophobicContact CG-CE1 4.29Å; L226-Y414 WeakPolarHBondContact O-CD2 3.39Å; L226-Y414 WeakPolarHBondContact O-CE2 3.37Å; L412-Y414 PolarHBondContact O-N 2.88Å; Y414-V421 HydrophobicContact CD1-CG1 4.13Å; Y414-V421 WeakPolarHBondContact O-CG1 3.12Å; Y414-L422 WeakPolarHBondContact CA-O 3.29Å; Y414-L422 PolarHBondContact N-O 3.14Å; Y414-F423 HydrophobicContact CD1-CD1 4.31Å; Y414-F423 HydrophobicContact CD1-CE1 4.13Å; Y414-F423 AromaticContact CE1-CD1 3.84Å; Y414-F423 HydrophobicContact CE1-CD1 3.84Å; Y414-F423 AromaticContact CE1-CE1 3.66Å; Y414-F423 HydrophobicContact CE1-CE1 3.66Å
415	E	84.1	Confident	85.2	Confident	22 Å²	22	44.3 Å²	44.3	10%	0.103	22%	0.217	C	C	.	.			trans	-68.9	137.5	176.9	-163.6	-90.1	173.7	0	0	111.3	Y365 L412 A413 F417 L422	Y365-E415 HydrophobicContact CE2-CG 4.05Å; Y365-E415 WeakPolarHBondContact OH-CG 3.46Å; Y365-E415 PolarHBondContact OH-OE1 2.81Å; Y365-E415 VanDerWaalsContact OH-OE1 3.13Å; L412-E415 WeakPolarHBondContact O-CB 3.39Å; L412-E415 PolarHBondContact O-N 2.83Å; A413-E415 PolarHBondContact O-N 2.87Å; E415-F417 PolarHBondContact O-N 3.35Å; E415-L422 HydrophobicContact CB-CD1 4.47Å; E415-L422 WeakPolarHBondContact O-CG 3.24Å; E415-L422 PolarHBondContact O-N 3.09Å
416	P	85	Confident	85.3	Confident	75 Å²	75	46 Å²	46	49%	0.487	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108.4	179.3	31.4	-32.5	0	0	0	110.8	S420	P416-S420 CarbonylContact C-O 3.41Å; P416-S420 WeakPolarHBondContact CA-O 3.39Å
417	F	87.4	Confident	85.5	Confident	13 Å²	13	42.9 Å²	42.9	6%	0.057	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.6	-176.5	-179.1	-103.4	0	0	0	110.4	L349 P350 T353 L361 E415 D419 S420 L422	L349-F417 HydrophobicContact CD2-CD1 3.88Å; L349-F417 HydrophobicContact CD2-CE1 3.91Å; P350-F417 HydrophobicContact CG-CD1 4.32Å; T353-F417 HydrophobicContact CG2-CE1 3.75Å; T353-F417 HydrophobicContact CG2-CZ 3.99Å; L361-F417 HydrophobicContact CB-CE2 4.13Å; L361-F417 HydrophobicContact CD1-CD2 3.96Å; L361-F417 HydrophobicContact CD1-CE2 4.36Å; L361-F417 HydrophobicContact CD2-CD2 3.78Å; L361-F417 HydrophobicContact CD2-CE2 4.05Å; L361-F417 HydrophobicContact CD2-CG 4.35Å; L361-F417 HydrophobicContact CG-CD2 4.29Å; L361-F417 HydrophobicContact CG-CE2 4.41Å; E415-F417 PolarHBondContact O-N 3.35Å; F417-D419 PolarHBondContact O-N 2.78Å; F417-S420 PolarHBondContact N-O 3.47Å; F417-S420 PolarHBondContact O-N 2.71Å; F417-S420 VanDerWaalsContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 2.8Å; F417-L422 HydrophobicContact CB-CD1 3.88Å; F417-L422 HydrophobicContact CB-CD2 3.74Å; F417-L422 HydrophobicContact CB-CG 3.72Å; F417-L422 HydrophobicContact CD1-CD2 4.26Å; F417-L422 HydrophobicContact CG-CD1 4.41Å; F417-L422 HydrophobicContact CG-CD2 4.26Å
418	R	85.1	Confident	85.5	Confident	123 Å²	123	38.5 Å²	38.5	46%	0.464	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-128	-166.6	-56	169	145.1	133.4	1.6	108.8	P350 T353 E357	P350-R418 HydrophobicContact CG-CB 4.07Å; P350-R418 HydrophobicContact CG-CG 4.45Å; T353-R418 PolarHBondContact OG1-NH1 3.48Å; E357-R418 IonicContact OE1-CZ 3.41Å; E357-R418 IonicContact OE1-NH1 3.19Å; E357-R418 IonicContact OE1-NH2 2.66Å; E357-R418 PolarHBondContact OE1-NH2 2.87Å; E357-R418 IonicContact OE2-CZ 3.77Å; E357-R418 IonicContact OE2-NH1 2.68Å; E357-R418 PolarHBondContact OE2-NH1 3.33Å; E357-R418 IonicContact OE2-NH2 3.19Å; E357-R418 PolarHBondContact OE2-NH2 2.73Å
419	D	82.4	Confident	85.1	Confident	165 Å²	165	42.6 Å²	42.6	88%	0.882	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.5	-178.7	-45.6	-72.3	0	0	0	113.6	F417	F417-D419 PolarHBondContact O-N 2.78Å
420	S	83.8	Confident	84.7	Confident	20 Å²	20	43.5 Å²	43.5	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	173.1	-177.4	89.8	0	0	0	0	113.1	N348 P416 F417	N348-S420 WeakPolarHBondContact O-CB 3.3Å; N348-S420 PolarHBondContact O-OG 3.25Å; P416-S420 CarbonylContact C-O 3.41Å; P416-S420 WeakPolarHBondContact CA-O 3.39Å; F417-S420 PolarHBondContact N-O 3.47Å; F417-S420 PolarHBondContact O-N 2.71Å; F417-S420 VanDerWaalsContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 2.8Å
421	V	87	Confident	84.7	Confident	55 Å²	55	39 Å²	39	33%	0.333	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.1	175.8	-178.1	0	0	0	0	108.5	N348 Y414	N348-V421 PolarHBondContact ND2-O 2.69Å; Y414-V421 HydrophobicContact CD1-CG1 4.13Å; Y414-V421 WeakPolarHBondContact O-CG1 3.12Å
422	L	89.5	Confident	84.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.			trans	-78.7	124	-174	-59.6	-174.8	0	0	0	112.1	I346 L349 L361 Y414 E415 F417 L424	I346-L422 HydrophobicContact CG2-CB 4.3Å; I346-L422 HydrophobicContact CG2-CD1 4.25Å; I346-L422 HydrophobicContact CG2-CD2 3.97Å; I346-L422 HydrophobicContact CG2-CG 4.41Å; L349-L422 HydrophobicContact CD2-CD2 3.57Å; L349-L422 HydrophobicContact CG-CD2 4.2Å; L361-L422 HydrophobicContact CD2-CD1 3.56Å; Y414-L422 WeakPolarHBondContact CA-O 3.29Å; Y414-L422 PolarHBondContact N-O 3.14Å; E415-L422 HydrophobicContact CB-CD1 4.47Å; E415-L422 WeakPolarHBondContact O-CG 3.24Å; E415-L422 PolarHBondContact O-N 3.09Å; F417-L422 HydrophobicContact CB-CD1 3.88Å; F417-L422 HydrophobicContact CB-CD2 3.74Å; F417-L422 HydrophobicContact CB-CG 3.72Å; F417-L422 HydrophobicContact CD1-CD2 4.26Å; F417-L422 HydrophobicContact CG-CD1 4.41Å; F417-L422 HydrophobicContact CG-CD2 4.26Å; L422-L424 HydrophobicContact CB-CD1 3.94Å
423	F	87.4	Confident	84.3	Confident	69 Å²	69	45 Å²	45	30%	0.303	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.1	168	-53	-69.7	0	0	0	108.6	K347 N348 Y414	K347-F423 HydrophobicContact CB-CB 4.32Å; K347-F423 PolarHBondContact N-O 3.26Å; K347-F423 PolarHBondContact O-N 3.43Å; K347-F423 VanDerWaalsContact O-N 3.14Å; N348-F423 HydrophobicContact CB-CD2 3.49Å; N348-F423 VanDerWaalsContact CB-CD2 3.49Å; N348-F423 HydrophobicContact CB-CE2 3.74Å; Y414-F423 HydrophobicContact CD1-CD1 4.31Å; Y414-F423 HydrophobicContact CD1-CE1 4.13Å; Y414-F423 AromaticContact CE1-CD1 3.84Å; Y414-F423 HydrophobicContact CE1-CD1 3.84Å; Y414-F423 AromaticContact CE1-CE1 3.66Å; Y414-F423 HydrophobicContact CE1-CE1 3.66Å
424	L	88.8	Confident	83.4	Confident	21 Å²	21	49.2 Å²	49.2	11%	0.11	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.4	176.9	-89.1	69.8	0	0	0	110.5	F344 L345 I346 Y409 L412 L422	F344-L424 HydrophobicContact CD2-CD2 3.63Å; F344-L424 HydrophobicContact CD2-CG 4.05Å; F344-L424 HydrophobicContact CE2-CD2 3.54Å; F344-L424 HydrophobicContact CE2-CG 4.27Å; F344-L424 HydrophobicContact CG-CD2 4.36Å; F344-L424 HydrophobicContact CZ-CD2 4.21Å; L345-L424 WeakPolarHBondContact O-CA 3.43Å; I346-L424 HydrophobicContact CB-CD1 4.46Å; I346-L424 HydrophobicContact CG1-CD1 4.15Å; I346-L424 HydrophobicContact CG1-CG 4.16Å; I346-L424 HydrophobicContact CG2-CD1 4.09Å; Y409-L424 HydrophobicContact CD2-CB 4.01Å; Y409-L424 HydrophobicContact CD2-CD2 4.03Å; Y409-L424 HydrophobicContact CE2-CB 3.75Å; Y409-L424 HydrophobicContact CG-CD2 4.27Å; Y409-L424 PolarHBondContact OH-O 3.13Å; L412-L424 HydrophobicContact CB-CD1 4.05Å; L412-L424 HydrophobicContact CB-CD2 3.64Å; L412-L424 HydrophobicContact CD1-CD2 4.42Å; L422-L424 HydrophobicContact CB-CD1 3.94Å
425	Q	85.4	Confident	81.9	Confident	21 Å²	21	50.7 Å²	50.7	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	132.8	179.6	178.4	174.9	-0.3	0	0	109.2	N235 W236 F344 L345	N235-Q425 PolarHBondContact OD1-NE2 3.08Å; W236-Q425 PolarHBondContact O-NE2 3.2Å; W236-Q425 PolarHBondContact O-OE1 3.35Å; F344-Q425 CarbonylContact C-O 3.58Å; F344-Q425 WeakPolarHBondContact CA-O 3.48Å; F344-Q425 WeakPolarHBondContact CB-O 3.44Å; L345-Q425 PolarHBondContact N-O 2.97Å; L345-Q425 PolarHBondContact O-N 3.49Å
426	W	86.3	Confident	80	Confident	36 Å²	36	53 Å²	53	14%	0.136	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.9	175.1	-70.6	104.2	0	0	0	111.7	L339 G341 F344 A405 R406 Y409	L339-W426 HydrophobicContact CB-CB 4.09Å; L339-W426 HydrophobicContact CD1-CB 3.88Å; L339-W426 HydrophobicContact CD1-CG 4.36Å; L339-W426 HydrophobicContact CD2-CB 3.76Å; L339-W426 HydrophobicContact CG-CB 4.11Å; G341-W426 VanDerWaalsContact C-CZ3 3.49Å; G341-W426 VanDerWaalsContact O-CZ3 3.25Å; G341-W426 WeakPolarHBondContact O-CZ3 3.43Å; F344-W426 HydrophobicContact CB-CE3 4.15Å; F344-W426 HydrophobicContact CB-CZ3 4.45Å; F344-W426 HydrophobicContact CD1-CZ3 4.22Å; A405-W426 HydrophobicContact CB-CH2 3.91Å; A405-W426 HydrophobicContact CB-CZ3 3.87Å; R406-W426 HydrophobicContact CB-CH2 4.36Å; R406-W426 HydrophobicContact CB-CZ2 4.5Å; R406-W426 HydrophobicContact CG-CH2 3.73Å; R406-W426 HydrophobicContact CG-CZ2 3.92Å; Y409-W426 HydrophobicContact CD1-CZ2 4.15Å; Y409-W426 AromaticContact CD1-NE1 3.95Å; Y409-W426 AromaticContact CD2-CD2 3.96Å; Y409-W426 HydrophobicContact CD2-CD2 3.96Å; Y409-W426 AromaticContact CD2-CE2 3.49Å; Y409-W426 VanDerWaalsContact CD2-CE2 3.49Å; Y409-W426 HydrophobicContact CD2-CG 4.38Å; Y409-W426 HydrophobicContact CD2-CH2 4.3Å; Y409-W426 AromaticContact CD2-CZ2 3.69Å; Y409-W426 HydrophobicContact CD2-CZ2 3.69Å; Y409-W426 AromaticContact CD2-NE1 3.66Å; Y409-W426 AromaticContact CE1-NE1 3.73Å; Y409-W426 AromaticContact CE2-CD1 3.57Å; Y409-W426 HydrophobicContact CE2-CD2 4.01Å; Y409-W426 AromaticContact CE2-CE2 3.7Å; Y409-W426 AromaticContact CE2-CG 3.94Å; Y409-W426 HydrophobicContact CE2-CG 3.94Å; Y409-W426 HydrophobicContact CE2-CZ2 4.35Å; Y409-W426 AromaticContact CE2-NE1 3.4Å; Y409-W426 AromaticContact CG-CE2 3.76Å; Y409-W426 HydrophobicContact CG-CH2 4.31Å; Y409-W426 AromaticContact CG-CZ2 3.57Å; Y409-W426 HydrophobicContact CG-CZ2 3.57Å; Y409-W426 AromaticContact CG-NE1 3.93Å; Y409-W426 AromaticContact CZ-CD1 3.68Å; Y409-W426 AromaticContact CZ-NE1 3.44Å
427	L	85.6	Confident	77.5	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.2	170.6	-95.6	72.9	0	0	0	110.2	F299 L339 S340 A343 L345 I396 A431 L432	F299-L427 HydrophobicContact CE1-CG 4.06Å; F299-L427 HydrophobicContact CZ-CD2 4.16Å; F299-L427 HydrophobicContact CZ-CG 3.96Å; L339-L427 CarbonylContact C-O 3.58Å; L339-L427 WeakPolarHBondContact CA-O 3.49Å; S340-L427 WeakPolarHBondContact CB-O 3.41Å; S340-L427 PolarHBondContact N-O 3.34Å; A343-L427 HydrophobicContact CB-CB 4.22Å; A343-L427 HydrophobicContact CB-CD2 4.21Å; A343-L427 PolarHBondContact O-N 2.93Å; L345-L427 HydrophobicContact CB-CD1 3.8Å; L345-L427 VanDerWaalsContact N-CD1 3.29Å; I396-L427 HydrophobicContact CD1-CD2 4.4Å; I396-L427 HydrophobicContact CG1-CD1 4.45Å; I396-L427 HydrophobicContact CG2-CD1 4.03Å; I396-L427 HydrophobicContact CG2-CD2 3.7Å; L427-A431 HydrophobicContact CB-CB 4.35Å; L427-A431 HydrophobicContact CD2-CB 4.16Å; L427-A431 HydrophobicContact CG-CB 4.47Å; L427-L432 HydrophobicContact CD2-CD1 4.12Å; L427-L432 HydrophobicContact CD2-CD2 3.81Å; L427-L432 HydrophobicContact CD2-CG 3.78Å
428	P	80.6	Confident	74.9	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	154.5	168	-23	34	0	0	0	112.7	A298 F299 Q338 A431	A298-P428 HydrophobicContact CB-CB 4.17Å; A298-P428 WeakPolarHBondContact O-CB 3.32Å; A298-P428 WeakPolarHBondContact O-CG 3.37Å; F299-P428 VanDerWaalsContact CD1-CD 3.47Å; F299-P428 HydrophobicContact CD1-CG 3.69Å; F299-P428 HydrophobicContact CE1-CG 4.07Å; F299-P428 HydrophobicContact CG-CG 4.25Å; Q338-P428 CarbonylContact O-C 3.53Å; Q338-P428 VanDerWaalsContact O-CA 3.29Å; Q338-P428 WeakPolarHBondContact O-CA 3.22Å; P428-A431 HydrophobicContact CB-CB 4.31Å; P428-A431 WeakPolarHBondContact O-CB 3.27Å; P428-A431 PolarHBondContact O-N 2.82Å; P428-A431 VanDerWaalsContact O-N 3.13Å
429	D	77	Confident	72.7	Confident	97 Å²	97	58.4 Å²	58.4	52%	0.519	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	136.2	177.1	-126.7	27.4	0	0	0	111.3	Q338 S340 A431	Q338-D429 PolarHBondContact O-N 3.37Å; S340-D429 VanDerWaalsContact CA-OD1 3.23Å; S340-D429 WeakPolarHBondContact CA-OD1 3.34Å; S340-D429 PolarHBondContact N-OD1 3.09Å; D429-A431 PolarHBondContact O-N 2.8Å; D429-A431 VanDerWaalsContact O-N 3.08Å
430	G	78.6	Confident	70.2	Confident	33 Å²	33	57.5 Å²	57.5	34%	0.34	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	4.1	-174.8	0	0	0	0	0	115.9	R295 L432	R295-G430 PolarHBondContact NE-O 2.54Å; R295-G430 PolarHBondContact NH2-O 2.84Å; G430-L432 PolarHBondContact O-N 2.86Å; G430-L432 VanDerWaalsContact O-N 3.08Å
431	A	83.1	Confident	67.7	Low	1 Å²	1	64 Å²	64	1%	0.008	36%	0.356	C	S	.	.	S	Bend	trans	-59.5	-20.2	175.5	0	0	0	0	0	113.2	V294 R295 A298 F299 L427 P428 D429	V294-A431 CarbonylContact C-O 3.59Å; V294-A431 WeakPolarHBondContact CA-O 3.01Å; V294-A431 WeakPolarHBondContact CG1-O 3.2Å; R295-A431 PolarHBondContact N-O 3.46Å; A298-A431 HydrophobicContact CB-CB 3.91Å; F299-A431 HydrophobicContact CE2-CB 3.9Å; F299-A431 HydrophobicContact CZ-CB 3.85Å; L427-A431 HydrophobicContact CB-CB 4.35Å; L427-A431 HydrophobicContact CD2-CB 4.16Å; L427-A431 HydrophobicContact CG-CB 4.47Å; P428-A431 HydrophobicContact CB-CB 4.31Å; P428-A431 WeakPolarHBondContact O-CB 3.27Å; P428-A431 PolarHBondContact O-N 2.82Å; P428-A431 VanDerWaalsContact O-N 3.13Å; D429-A431 PolarHBondContact O-N 2.8Å; D429-A431 VanDerWaalsContact O-N 3.08Å
432	L	84.9	Confident	65.3	Low	17 Å²	17	70.5 Å²	70.5	9%	0.089	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-105.9	142.4	170.3	-59.6	-179.6	0	0	0	110.5	V294 R295 A343 I396 E398 L427 G430	V294-L432 HydrophobicContact CG1-CD2 4.37Å; V294-L432 HydrophobicContact CG2-CD2 3.96Å; R295-L432 PolarHBondContact NH2-O 3.26Å; A343-L432 HydrophobicContact CB-CD1 3.66Å; I396-L432 HydrophobicContact CG2-CD2 4.34Å; E398-L432 HydrophobicContact CB-CD1 3.99Å; E398-L432 HydrophobicContact CG-CD1 3.89Å; L427-L432 HydrophobicContact CD2-CD1 4.12Å; L427-L432 HydrophobicContact CD2-CD2 3.81Å; L427-L432 HydrophobicContact CD2-CG 3.78Å; G430-L432 PolarHBondContact O-N 2.86Å; G430-L432 VanDerWaalsContact O-N 3.08Å
433	K	78.2	Confident	62.7	Low	120 Å²	120	77.9 Å²	77.9	52%	0.522	41%	0.411	S	S	.	.			trans	-66.7	137.5	161	-69.8	176.3	-177.8	-178.4	0	109.6	G293 R385	G293-K433 WeakPolarHBondContact O-CG 3.36Å; G293-K433 PolarHBondContact O-N 3.08Å; G293-K433 VanDerWaalsContact O-N 3.09Å; R385-K433 PolarHBondContact NH2-O 3.08Å
434	S	66	Low	59.9	Low	88 Å²	88	83.5 Å²	83.5	62%	0.615	44%	0.438	S	S	*	.			trans	-60.5	150.5	162.4	40	0	0	0	0	109.8
435	S	53.4	Low	57.1	Low	85 Å²	85	88.7 Å²	88.7	59%	0.594	47%	0.465	S	S	*	.			trans	-116.9	22.3	-176.1	64.8	0	0	0	0	111.6	K384	K384-S435 VanDerWaalsContact CE-OG 3.22Å; K384-S435 WeakPolarHBondContact CE-OG 3.44Å
436	T	44	Very low	54.4	Low	69 Å²	69	97.7 Å²	97.7	42%	0.423	50%	0.503	S	S	.	.			trans	-116.1	115.9	-174.8	28.3	0	0	0	0	107.3	D438 D439	T436-D438 VanDerWaalsContact C-N 3.26Å; T436-D438 PolarHBondContact O-N 3.2Å; T436-D439 WeakPolarHBondContact CB-OD2 3.28Å; T436-D439 PolarHBondContact OG1-OD2 2.81Å
437	P	33.8	Very low	51.7	Low	104 Å²	104	101.6 Å²	101.6	68%	0.675	54%	0.536	S	S	*	.	S	Bend	trans	-67.4	-28.1	176.7	-22.1	35	0	0	0	113.3	D439	P437-D439 PolarHBondContact O-N 2.8Å
438	D	33.1	Very low	49	Very low	120 Å²	120	110.5 Å²	110.5	64%	0.642	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-82.1	-10.6	-160.7	-45.6	-24.6	0	0	0	114.6	T436 N440	T436-D438 VanDerWaalsContact C-N 3.26Å; T436-D438 PolarHBondContact O-N 3.2Å; D438-N440 PolarHBondContact O-N 2.82Å
439	D	37.1	Very low	46.7	Very low	102 Å²	102	118.1 Å²	118.1	55%	0.545	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-75.6	-6.4	-173.9	-66.1	-52.1	0	0	0	114.1	T436 P437	T436-D439 WeakPolarHBondContact CB-OD2 3.28Å; T436-D439 PolarHBondContact OG1-OD2 2.81Å; P437-D439 PolarHBondContact O-N 2.8Å
440	N	31.7	Very low	44.6	Very low	145 Å²	145	117.6 Å²	117.6	78%	0.775	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-91.3	-15.1	-173.5	-75.8	-28.2	0	0	0	115.1	D438	D438-N440 PolarHBondContact O-N 2.82Å
441	E	31.1	Very low	42.5	Very low	156 Å²	156	121.2 Å²	121.2	73%	0.729	65%	0.648	S	S	*	*	S	Bend	trans	-90.5	3.2	-173.4	-65	-167.8	148.1	0	0	114.6
442	Y	36.7	Very low	39.9	Very low	193 Å²	193	128.2 Å²	128.2	76%	0.757	68%	0.683	S	S	*	*	S	Bend	trans	-113.9	2.9	-170	-73.8	-66.3	0	0	0	117.1
443	E	33.3	Very low	37.4	Very low	155 Å²	155	135.8 Å²	135.8	72%	0.724	72%	0.718	S	S	*	*	S	Bend	trans	-102	7.4	174	-66.9	-82.6	174.3	0	0	112.9	K126	K126-E443 IonicContact NZ-OE1 3.82Å; K126-E443 PolarHBondContact NZ-OE1 2.92Å
444	E	30.3	Very low	35.1	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	73%	0.733	S	S	*	*	S	Bend	trans	-117.7	22.1	-174.9	-150.9	168.2	-124	0	0	115.3
445	I	28.4	Very low	33.1	Very low	130 Å²	130	141.3 Å²	141.3	67%	0.667	75%	0.745	S	S	*	*			trans	-131.3	64.1	-178	-41.9	179.1	0	0	0	113.2
446	K	30.3	Very low	31.9	Very low	209 Å²	209	147 Å²	147	91%	0.909	76%	0.759	S	S	*	*			trans	-150.9	51.7	169.6	-77	-156.8	177.6	178.3	0	115.9
447	S	29.7	Very low	31.1	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	78%	0.783	S	S	*	*			trans	-162.4	68.3	162.5	60.3	0	0	0	0	113.2
448	E	28.1	Very low	30.9	Very low	188 Å²	188	155.8 Å²	155.8	88%	0.879	79%	0.792	S	S	*	*			trans	-97.1	96.3	165.3	-69.5	-169.7	151	0	0	109.7
449	D	32.8	Very low	30.6	Very low	162 Å²	162	159.3 Å²	159.3	87%	0.866	80%	0.802	S	S	*	*			trans	-162.8	137.4	156.1	-114.3	-33.8	0	0	0	111.9
450	A	33	Very low	30.1	Very low	87 Å²	87	163.4 Å²	163.4	72%	0.719	82%	0.818	S	S	*	*			trans	53.7	112.2	165.3	0	0	0	0	0	122.4
451	S	32.9	Very low	29.9	Very low	109 Å²	109	165.4 Å²	165.4	76%	0.762	82%	0.822	S	S	*	*			trans	78.4	98.4	138.6	66.4	0	0	0	0	122.8
452	I	28.8	Very low	29.6	Very low	147 Å²	147	167.5 Å²	167.5	75%	0.754	83%	0.829	S	S	*	*				32.1	105.7	124	-49.5	167.2	0	0	0	117.7
453	H	32.2	Very low	29.2	Very low	177 Å²	177	164 Å²	164	82%	0.819	83%	0.833	S	S	*	*				-172.6	157.7	117.4	-101.1	-63.2	0	0	0	114.3
454	K	29.6	Very low	28.9	Very low	189 Å²	189	161.8 Å²	161.8	82%	0.822	83%	0.834	S	S	*	*			trans	-52.5	141.9	-168	-63.6	171	177	175.2	0	115.6
455	P	24.9	Very low	28.8	Very low	135 Å²	135	158.9 Å²	158.9	88%	0.877	83%	0.829	S	S	*	*			trans	-73.6	141.3	178.3	31	-35.6	0	0	0	113.1
456	K	29	Very low	28.7	Very low	203 Å²	203	160.4 Å²	160.4	88%	0.883	84%	0.839	S	S	*	*			trans	-117.7	132.4	166.4	-83.6	-175	174.9	178.5	0	110.4
457	K	27.2	Very low	28.5	Very low	213 Å²	213	158 Å²	158	93%	0.926	83%	0.831	S	S	*	*			trans	-68.1	133.5	-178.8	-63.1	174	178	177	0	111.2
458	V	28.3	Very low	28.4	Very low	145 Å²	145	159.6 Å²	159.6	88%	0.879	84%	0.835	S	S	*	*			trans	-107.5	151.3	160	-178.8	0	0	0	0	108.2
459	K	27.1	Very low	28.3	Very low	195 Å²	195	158 Å²	158	85%	0.848	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-91.4	130.5	-161.2	-60	170.9	-178.4	175.9	0	111.7
460	H	27.4	Very low	27.9	Very low	188 Å²	188	159.2 Å²	159.2	87%	0.87	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-77.2	117.5	156	-97.5	-76.2	0	0	0	109	K462	H460-K462 PolarHBondContact O-N 2.7Å
461	E	26.4	Very low	27.8	Very low	186 Å²	186	162.2 Å²	162.2	87%	0.869	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-71.5	119.7	167.7	-63.9	-176.1	145.3	0	0	109
462	K	25.4	Very low	27.5	Very low	201 Å²	201	165.1 Å²	165.1	87%	0.874	83%	0.829	S	S	*	*			trans	-94.3	97.4	171.5	-73.7	-174.5	175.7	-176.2	0	108.9	H460	H460-K462 PolarHBondContact O-N 2.7Å
463	S	28.9	Very low	27.6	Very low	120 Å²	120	164 Å²	164	84%	0.839	82%	0.82	S	S	*	*			trans	-78.9	117.8	162.2	42.7	0	0	0	0	109.5
464	S	26	Very low	27.6	Very low	108 Å²	108	158.7 Å²	158.7	76%	0.755	80%	0.803	S	S	*	*			trans	-82.5	133.9	176.6	50.9	0	0	0	0	111.8
465	V	29.5	Very low	28.1	Very low	126 Å²	126	156.7 Å²	156.7	76%	0.764	80%	0.801	S	S	*	*				-142.4	115.1	128.5	-179.1	0	0	0	0	107.4
466	N	25	Very low	28.8	Very low	162 Å²	162	155.6 Å²	155.6	87%	0.866	79%	0.788	S	S	*	*			trans	-102.7	95	162.8	-91.2	-6.9	0	0	0	107.1
467	E	26.1	Very low	29.6	Very low	159 Å²	159	149.8 Å²	149.8	74%	0.743	76%	0.764	S	S	*	*			trans	-163.8	91	161.3	-114.5	149.8	-159.4	0	0	108.1	E469	E467-E469 VanDerWaalsContact C-N 3.29Å; E467-E469 PolarHBondContact O-N 2.69Å
468	V	27.5	Very low	30.5	Very low	151 Å²	151	142.3 Å²	142.3	92%	0.915	73%	0.732	S	S	*	*			trans	-91.8	80.4	159.1	-178.2	0	0	0	0	105.3	K470	V468-K470 PolarHBondContact O-N 2.77Å
469	E	26.7	Very low	31.6	Very low	154 Å²	154	141.4 Å²	141.4	72%	0.72	72%	0.718	S	S	*	*			trans	-53.8	137.3	164.7	-68.1	-172.9	123.5	0	0	108.4	E467 I471	E467-E469 VanDerWaalsContact C-N 3.29Å; E467-E469 PolarHBondContact O-N 2.69Å; E469-I471 PolarHBondContact O-N 3.33Å
470	K	24.6	Very low	32.8	Very low	188 Å²	188	133 Å²	133	82%	0.817	68%	0.682	S	S	*	*			trans	-65.5	109.4	162.3	-70.8	176.4	178.7	176.5	0	106	V468 E472	V468-K470 PolarHBondContact O-N 2.77Å; K470-E472 PolarHBondContact O-N 3.38Å
471	I	30.2	Very low	33.9	Very low	150 Å²	150	124.5 Å²	124.5	77%	0.769	64%	0.643	S	S	*	*			trans	-66.6	95.5	159.9	-62.3	170.8	0	0	0	105.2	E469 Q473	E469-I471 PolarHBondContact O-N 3.33Å; I471-Q473 PolarHBondContact O-N 3.04Å
472	E	26.4	Very low	35	Very low	170 Å²	170	119.7 Å²	119.7	79%	0.794	63%	0.627	S	S	*	*			trans	-62.1	106	161.7	-64.4	-173.9	158.9	0	0	105.6	K470 S474	K470-E472 PolarHBondContact O-N 3.38Å; E472-S474 PolarHBondContact O-N 3.18Å
473	Q	31.9	Very low	36.2	Very low	124 Å²	124	113.6 Å²	113.6	58%	0.579	61%	0.609	S	S	*	*			trans	-65.7	101.9	173.9	-66.9	-178.6	-99.7	0	0	106.4	I471 E477	I471-Q473 PolarHBondContact O-N 3.04Å; Q473-E477 PolarHBondContact NE2-OE2 2.85Å
474	S	32.3	Very low	37.4	Very low	65 Å²	65	108.9 Å²	108.9	46%	0.455	57%	0.574	S	S	.	*			trans	-63.3	143.1	176.3	66.3	0	0	0	0	109.3	E472 D476 E477	E472-S474 PolarHBondContact O-N 3.18Å; S474-D476 WeakPolarHBondContact CB-OD2 3.09Å; S474-D476 PolarHBondContact O-N 2.89Å; S474-D476 PolarHBondContact OG-OD2 3.44Å; S474-E477 PolarHBondContact O-N 3.2Å; S474-E477 VanDerWaalsContact O-N 3.08Å
475	D	39	Very low	38.2	Very low	147 Å²	147	108.8 Å²	108.8	79%	0.786	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-58.3	-18.6	-172.3	-60.7	-76.5	0	0	0	113	E477 F478	D475-E477 PolarHBondContact O-N 3.1Å; D475-F478 PolarHBondContact O-N 3.46Å
476	D	41.2	Very low	38.9	Very low	112 Å²	112	108.3 Å²	108.3	60%	0.599	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-52.7	-32	172.9	-41.8	-62	0	0	0	114.1	S474 F478 E479	S474-D476 WeakPolarHBondContact CB-OD2 3.09Å; S474-D476 PolarHBondContact O-N 2.89Å; S474-D476 PolarHBondContact OG-OD2 3.44Å; D476-F478 PolarHBondContact O-N 2.93Å; D476-E479 PolarHBondContact O-N 3.34Å
477	E	44.6	Very low	39.4	Very low	82 Å²	82	103.2 Å²	103.2	38%	0.383	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-60.5	-20.7	-178.8	-168.5	176.3	-150.7	0	0	111.9	Q473 S474 D475	Q473-E477 PolarHBondContact NE2-OE2 2.85Å; S474-E477 PolarHBondContact O-N 3.2Å; S474-E477 VanDerWaalsContact O-N 3.08Å; D475-E477 PolarHBondContact O-N 3.1Å
478	F	46.3	Very low	39.7	Very low	56 Å²	56	105.3 Å²	105.3	25%	0.246	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-102.3	-11.8	-172.8	-72.1	-91.1	0	0	0	115.3	F254 D475 D476 L480 I481 T482	F254-F478 AromaticContact CE1-CD1 3.92Å; F254-F478 HydrophobicContact CE1-CD1 3.92Å; F254-F478 AromaticContact CZ-CD1 3.86Å; F254-F478 HydrophobicContact CZ-CD1 3.86Å; F254-F478 HydrophobicContact CZ-CE1 4.13Å; D475-F478 PolarHBondContact O-N 3.46Å; D476-F478 PolarHBondContact O-N 2.93Å; F478-L480 PolarHBondContact O-N 3.14Å; F478-I481 PolarHBondContact O-N 3.34Å; F478-T482 HydrophobicContact CB-CG2 4.3Å; F478-T482 PolarHBondContact O-N 2.95Å; F478-T482 VanDerWaalsContact O-N 3.1Å; F478-T482 PolarHBondContact O-OG1 3.29Å; F478-T482 VanDerWaalsContact O-OG1 3.09Å
479	E	50.3	Low	40	Very low	126 Å²	126	107.1 Å²	107.1	59%	0.589	56%	0.56	S	S	*	*	H	α-helix	trans	-59.5	-17.6	179	-82.1	-145.2	151.2	0	0	114.5	K268 D476 I481 S483	K268-E479 PolarHBondContact NZ-O 3.02Å; D476-E479 PolarHBondContact O-N 3.34Å; E479-I481 VanDerWaalsContact C-N 3.26Å; E479-I481 PolarHBondContact O-N 3.49Å; E479-S483 WeakPolarHBondContact O-CB 3.24Å; E479-S483 PolarHBondContact O-OG 3.46Å
480	L	53	Low	40.3	Very low	17 Å²	17	108.5 Å²	108.5	9%	0.089	56%	0.563	C	S	.	*	H	α-helix	trans	-72.1	-17.6	175.4	-82.5	84.9	0	0	0	114	K268 H276 F478 P636	K268-L480 HydrophobicContact CD-CG 4.09Å; H276-L480 WeakPolarHBondContact CE1-CD2 3.17Å; F478-L480 PolarHBondContact O-N 3.14Å; L480-P636 HydrophobicContact CD1-CB 3.69Å; L480-P636 HydrophobicContact CD1-CG 3.85Å; L480-P636 HydrophobicContact CD2-CG 4.01Å
481	I	51.6	Low	40.5	Very low	11 Å²	11	108.7 Å²	108.7	6%	0.056	56%	0.564	C	S	.	*	H	α-helix	trans	-122.8	-34.8	-173.8	-50.6	161.9	0	0	0	111.1	L250 F254 F478 E479 S483	L250-I481 HydrophobicContact CD2-CD1 3.81Å; L250-I481 HydrophobicContact CD2-CG1 4.48Å; L250-I481 HydrophobicContact CD2-CG2 4.31Å; F254-I481 HydrophobicContact CB-CG2 4.48Å; F254-I481 HydrophobicContact CD1-CG2 4.03Å; F254-I481 HydrophobicContact CD2-CB 4.48Å; F254-I481 HydrophobicContact CD2-CG2 3.5Å; F254-I481 HydrophobicContact CE1-CB 4.18Å; F254-I481 HydrophobicContact CE1-CG2 4.1Å; F254-I481 HydrophobicContact CE2-CB 4.16Å; F254-I481 HydrophobicContact CE2-CD1 3.77Å; F254-I481 HydrophobicContact CE2-CG2 3.6Å; F254-I481 HydrophobicContact CG-CG2 3.73Å; F254-I481 HydrophobicContact CZ-CB 3.99Å; F254-I481 HydrophobicContact CZ-CD1 3.74Å; F254-I481 HydrophobicContact CZ-CG1 4.48Å; F254-I481 HydrophobicContact CZ-CG2 3.9Å; F478-I481 PolarHBondContact O-N 3.34Å; E479-I481 VanDerWaalsContact C-N 3.26Å; E479-I481 PolarHBondContact O-N 3.49Å; I481-S483 VanDerWaalsContact C-N 3.3Å; I481-S483 PolarHBondContact O-N 3.17Å
482	T	48.2	Very low	40.7	Very low	85 Å²	85	111.7 Å²	111.7	52%	0.521	57%	0.566	S	S	.	*	H	α-helix	trans	-73.7	-17.3	177.8	56.8	0	0	0	0	114	F254 F478 I484	F254-T482 HydrophobicContact CD1-CG2 4.28Å; F254-T482 HydrophobicContact CE1-CG2 4.17Å; F478-T482 HydrophobicContact CB-CG2 4.3Å; F478-T482 PolarHBondContact O-N 2.95Å; F478-T482 VanDerWaalsContact O-N 3.1Å; F478-T482 PolarHBondContact O-OG1 3.29Å; F478-T482 VanDerWaalsContact O-OG1 3.09Å; T482-I484 PolarHBondContact O-N 2.96Å
483	S	51.7	Low	41	Very low	72 Å²	72	110 Å²	110	50%	0.503	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	6	176.9	51.8	0	0	0	0	114.6	E479 I481	E479-S483 WeakPolarHBondContact O-CB 3.24Å; E479-S483 PolarHBondContact O-OG 3.46Å; I481-S483 VanDerWaalsContact C-N 3.3Å; I481-S483 PolarHBondContact O-N 3.17Å
484	I	53.5	Low	41.5	Very low	21 Å²	21	110.5 Å²	110.5	11%	0.108	57%	0.569	C	S	.	*	S	Bend	trans	-79.1	118.9	168.9	-64.6	171.2	0	0	0	108.2	L256 Q260 T482 T486	L256-I484 HydrophobicContact CD1-CB 4.08Å; L256-I484 HydrophobicContact CD1-CD1 3.72Å; L256-I484 HydrophobicContact CD1-CG1 4.48Å; L256-I484 HydrophobicContact CD1-CG2 4.11Å; L256-I484 HydrophobicContact CD2-CG2 4.08Å; Q260-I484 HydrophobicContact CB-CG2 3.96Å; T482-I484 PolarHBondContact O-N 2.96Å; I484-T486 PolarHBondContact O-N 3.24Å
485	P	43	Very low	41.9	Very low	107 Å²	107	115 Å²	115	70%	0.695	59%	0.588	S	S	*	*			trans	-65.9	119.1	-172.4	24.8	-33.6	0	0	0	111.8	G487	P485-G487 PolarHBondContact O-N 3.43Å
486	T	43	Very low	42	Very low	115 Å²	115	116.3 Å²	116.3	71%	0.706	60%	0.595	S	S	*	*			trans	-74.7	21.8	177.4	52.4	0	0	0	0	113.4	L256 I484 K488	L256-T486 HydrophobicContact CD2-CG2 4.24Å; I484-T486 PolarHBondContact O-N 3.24Å; T486-K488 PolarHBondContact O-N 3.33Å
487	G	35.8	Very low	41.9	Very low	56 Å²	56	118.9 Å²	118.9	58%	0.577	61%	0.609	S	S	*	*			trans	-68.6	110.1	-174.9	0	0	0	0	0	112.4	P485 H489	P485-G487 PolarHBondContact O-N 3.43Å; G487-H489 VanDerWaalsContact C-N 3.32Å; G487-H489 PolarHBondContact O-N 3.48Å
488	K	33.6	Very low	41.5	Very low	203 Å²	203	124.2 Å²	124.2	88%	0.883	63%	0.634	S	S	*	*			trans	-68	89.5	165.3	-68.8	177.7	-179.6	174.4	0	109.2	T486 K490	T486-K488 PolarHBondContact O-N 3.33Å; K488-K490 PolarHBondContact O-N 3.4Å
489	H	33	Very low	40.8	Very low	189 Å²	189	126.1 Å²	126.1	88%	0.875	66%	0.659	S	S	*	*			trans	-62.8	105.7	167.5	-122.8	-77.6	0	0	0	108.3	G487	G487-H489 VanDerWaalsContact C-N 3.32Å; G487-H489 PolarHBondContact O-N 3.48Å
490	K	32.7	Very low	40.3	Very low	182 Å²	182	127 Å²	127	79%	0.791	67%	0.673	S	S	*	*			trans	-66.4	131.7	163.2	-69.1	-179.8	177.2	179.5	0	106.4	K488 R492	K488-K490 PolarHBondContact O-N 3.4Å; K490-R492 PolarHBondContact O-N 2.81Å
491	F	30.1	Very low	39.4	Very low	193 Å²	193	130.3 Å²	130.3	85%	0.846	70%	0.703	S	S	*	*			trans	-57.6	131.5	153.9	-96.2	-103.7	0	0	0	107.4
492	R	33.7	Very low	38.4	Very low	213 Å²	213	136.1 Å²	136.1	80%	0.804	74%	0.739	S	S	*	*			trans	-142.1	110.1	168.1	-159.2	179.6	-168.1	154.7	2.8	105.1	K490 D494	K490-R492 PolarHBondContact O-N 2.81Å; R492-D494 WeakPolarHBondContact CG-OD2 3.28Å; R492-D494 IonicContact NE-OD2 2.71Å
493	D	33.4	Very low	37.7	Very low	135 Å²	135	138.8 Å²	138.8	72%	0.722	76%	0.755	S	S	*	*			trans	-80	115.1	179	-39.2	-83.6	0	0	0	106.7
494	D	41.6	Very low	36.8	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	77%	0.77	S	S	*	*			trans	-143.6	103.8	173.1	-72.8	-63.7	0	0	0	105.6	R492	R492-D494 WeakPolarHBondContact CG-OD2 3.28Å; R492-D494 IonicContact NE-OD2 2.71Å
495	D	39.8	Very low	36.2	Very low	160 Å²	160	151 Å²	151	86%	0.856	81%	0.808	S	S	*	*			trans	-77.8	143.4	171.1	-61.4	-72.7	0	0	0	109.8
496	D	42.4	Very low	35.8	Very low	174 Å²	174	151.1 Å²	151.1	93%	0.93	81%	0.812	S	S	*	*			trans	-165	147.9	155	-105	-31.9	0	0	0	111.1
497	D	38.6	Very low	35.5	Very low	165 Å²	165	150.2 Å²	150.2	88%	0.882	81%	0.81	S	S	*	*			trans	-91.5	144.5	-171.5	-72.2	-66.8	0	0	0	114.3
498	E	36.9	Very low	35.6	Very low	195 Å²	195	155.1 Å²	155.1	91%	0.911	82%	0.817	S	S	*	*			trans	-151.9	139	141.7	-147.7	176.6	-148.6	0	0	112
499	A	32	Very low	35.9	Very low	95 Å²	95	153.9 Å²	153.9	79%	0.785	81%	0.814	S	S	*	*			trans	-148.3	135.3	-175.1	0	0	0	0	0	112.9
500	V	38.2	Very low	36.1	Very low	145 Å²	145	150.3 Å²	150.3	88%	0.879	80%	0.802	S	S	*	*			trans	-150.1	157.3	173.3	-112.5	0	0	0	0	113.5
501	A	33.9	Very low	36.4	Very low	87 Å²	87	148.1 Å²	148.1	72%	0.719	80%	0.799	S	S	*	*			trans	-51.5	149	-171.2	0	0	0	0	0	115.7
502	V	31.9	Very low	36.8	Very low	132 Å²	132	147.3 Å²	147.3	80%	0.8	80%	0.795	S	S	*	*			cis	74.3	103.4	39.3	-177.3	0	0	0	0	114.7
503	T	33.8	Very low	37	Very low	141 Å²	141	143.3 Å²	143.3	87%	0.865	79%	0.79	S	S	*	*			trans	-147.9	130	152	39.3	0	0	0	0	110.5
504	D	31.1	Very low	37.1	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	79%	0.793	S	S	*	*			trans	-105.8	140.2	175.4	-99.8	-45.2	0	0	0	110.8
505	H	42.7	Very low	36.8	Very low	198 Å²	198	142.7 Å²	142.7	92%	0.917	80%	0.795	S	S	*	*			trans	-141.9	139.7	162.4	-81.3	-34.1	0	0	0	111.7
506	S	33.1	Very low	36.4	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	79%	0.791	S	S	*	*			trans	-126.5	163.2	-164.3	61.1	0	0	0	0	114.2
507	S	36.7	Very low	36	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	79%	0.79	S	S	*	*			trans	106.3	143.1	148.1	82.1	0	0	0	0	119.6
508	H	39.1	Very low	35.8	Very low	158 Å²	158	141.4 Å²	141.4	73%	0.731	79%	0.788	S	S	*	*			trans	57.2	139.7	168.1	-56.2	-67.9	0	0	0	118.1
509	H	39.6	Very low	35.7	Very low	177 Å²	177	135.6 Å²	135.6	82%	0.819	77%	0.769	S	S	*	*			cis	-145.6	-170.6	31.5	-126.2	-42.9	0	0	0	113.6
510	D	37	Very low	36.2	Very low	114 Å²	114	140.4 Å²	140.4	61%	0.61	77%	0.772	S	S	*	*			trans	-111.3	173.5	-153.5	-50.5	-96.1	0	0	0	117.6
511	N	39.5	Very low	36.7	Very low	136 Å²	136	136.7 Å²	136.7	73%	0.727	75%	0.752	S	S	*	*			trans	68.7	109.3	144.1	-87.6	-50.9	0	0	0	119.2
512	K	38.4	Very low	37.5	Very low	176 Å²	176	140.1 Å²	140.1	77%	0.765	75%	0.754	S	S	*	*				-177.4	148.1	67.2	-100.6	150	-178.1	173.2	0	114.3
513	N	37.2	Very low	38.1	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	76%	0.755	S	S	*	*			trans	38.9	117.6	138.9	-51.6	0.8	0	0	0	119.3
514	N	36.4	Very low	39	Very low	147 Å²	147	142.2 Å²	142.2	79%	0.786	74%	0.741	S	S	*	*				-175	149.9	72.3	-99.7	-33.9	0	0	0	115.8
515	S	34.5	Very low	40.2	Very low	109 Å²	109	142 Å²	142	76%	0.762	73%	0.734	S	S	*	*			trans	40.3	112.9	152.7	64.4	0	0	0	0	123.1
516	C	31.2	Very low	40.6	Very low	116 Å²	116	141 Å²	141	78%	0.784	73%	0.726	S	S	*	*			trans	69.3	103.5	135.8	-157.7	0	0	0	0	120.6
517	Q	33.3	Very low	41.5	Very low	191 Å²	191	144.9 Å²	144.9	89%	0.893	73%	0.726	S	S	*	*			trans	-134	121.4	151.8	-68.7	-167.2	14.9	0	0	111.3
518	I	35	Very low	42.6	Very low	164 Å²	164	145.3 Å²	145.3	84%	0.841	72%	0.72	S	S	*	*			trans	-90.5	117.9	164.7	-64.6	177.7	0	0	0	108
519	S	35.1	Very low	43.7	Very low	73 Å²	73	142.7 Å²	142.7	51%	0.51	71%	0.711	S	S	.	*			trans	-74.7	138.2	-158.6	84.6	0	0	0	0	114.9	S521	S519-S521 PolarHBondContact O-N 3.38Å
520	K	42.3	Very low	44.9	Very low	196 Å²	196	141 Å²	141	85%	0.852	70%	0.702	S	S	*	*	S	Bend	trans	-75.4	-4.5	167.3	-67.5	173.3	179.8	170.5	0	113.1
521	S	49.9	Very low	46.3	Very low	67 Å²	67	143.1 Å²	143.1	47%	0.469	71%	0.705	S	S	.	*	H	α-helix	trans	-66.9	-41.8	-166.5	-175.8	0	0	0	0	114.3	S519 R523 V524	S519-S521 PolarHBondContact O-N 3.38Å; S521-R523 VanDerWaalsContact C-N 3.26Å; S521-R523 PolarHBondContact O-N 3.21Å; S521-V524 PolarHBondContact O-N 2.72Å
522	Q	49.9	Very low	47.5	Very low	160 Å²	160	142.2 Å²	142.2	75%	0.748	70%	0.697	S	S	*	*	H	α-helix	trans	-62.7	-29	-173.8	-68.2	-175.1	-9.1	0	0	114	V524 K526	Q522-V524 PolarHBondContact O-N 3.03Å; Q522-K526 PolarHBondContact O-N 2.86Å
523	R	45	Very low	48.9	Very low	221 Å²	221	140.8 Å²	140.8	83%	0.834	69%	0.69	S	S	*	*	H	α-helix	trans	-73.6	-26.8	-176.9	-150.5	172.5	-169	167.5	3.2	112.8	S521	S521-R523 VanDerWaalsContact C-N 3.26Å; S521-R523 PolarHBondContact O-N 3.21Å
524	V	52.9	Low	50.3	Low	95 Å²	95	139.5 Å²	139.5	58%	0.576	68%	0.683	S	S	*	*	H	α-helix	trans	-75.2	-48.6	178.3	-177.2	0	0	0	0	110.9	S521 Q522 K526 Y527 L528	S521-V524 PolarHBondContact O-N 2.72Å; Q522-V524 PolarHBondContact O-N 3.03Å; V524-K526 PolarHBondContact O-N 2.9Å; V524-Y527 PolarHBondContact O-N 2.94Å; V524-L528 PolarHBondContact O-N 2.86Å; V524-L528 VanDerWaalsContact O-N 3.16Å
525	K	55.2	Low	51.8	Low	150 Å²	150	136.8 Å²	136.8	65%	0.652	67%	0.671	S	S	*	*	H	α-helix	trans	-55.3	-38.9	177.9	-70.9	-170	173.9	-172.8	0	112.2	Y527 L528 N529	K525-Y527 VanDerWaalsContact C-N 3.27Å; K525-Y527 PolarHBondContact O-N 3.14Å; K525-L528 PolarHBondContact O-N 2.94Å; K525-N529 PolarHBondContact O-N 3.3Å; K525-N529 PolarHBondContact O-OD1 2.74Å
526	K	51.5	Low	53.1	Low	176 Å²	176	137.4 Å²	137.4	77%	0.765	66%	0.662	S	S	*	*	H	α-helix	trans	-68.3	-21.4	178.8	-151	169.2	-170.6	173.1	0	114	Q522 V524	Q522-K526 PolarHBondContact O-N 2.86Å; V524-K526 PolarHBondContact O-N 2.9Å
527	Y	52.4	Low	54.6	Low	190 Å²	190	136.8 Å²	136.8	75%	0.745	65%	0.65	S	S	*	*	H	α-helix	trans	-84.7	-40.5	173.8	-117.8	-89.7	0	0	0	112.3	V524 K525 K530 K531	V524-Y527 PolarHBondContact O-N 2.94Å; K525-Y527 VanDerWaalsContact C-N 3.27Å; K525-Y527 PolarHBondContact O-N 3.14Å; Y527-K530 PolarHBondContact O-N 2.87Å; Y527-K530 VanDerWaalsContact O-N 3.15Å; Y527-K531 PolarHBondContact O-N 2.83Å; Y527-K531 VanDerWaalsContact O-N 3.1Å
528	L	60.1	Low	55.6	Low	106 Å²	106	130.5 Å²	130.5	56%	0.555	63%	0.63	S	S	*	*	H	α-helix	trans	-58.8	-50	178.9	-126.8	73.3	0	0	0	111.7	V524 K525 K530 K531 Q532	V524-L528 PolarHBondContact O-N 2.86Å; V524-L528 VanDerWaalsContact O-N 3.16Å; K525-L528 PolarHBondContact O-N 2.94Å; L528-K530 PolarHBondContact O-N 2.62Å; L528-K531 PolarHBondContact O-N 3.03Å; L528-Q532 PolarHBondContact O-N 2.75Å
529	N	61.5	Low	56.6	Low	102 Å²	102	126.1 Å²	126.1	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-60.9	-29.7	178.4	-66.2	30.6	0	0	0	112.2	K525 K533	K525-N529 PolarHBondContact O-N 3.3Å; K525-N529 PolarHBondContact O-OD1 2.74Å; N529-K533 WeakPolarHBondContact O-CB 3.48Å; N529-K533 PolarHBondContact O-N 2.78Å
530	K	64.6	Low	57.4	Low	142 Å²	142	126.2 Å²	126.2	62%	0.617	62%	0.615	S	S	*	*	H	α-helix	trans	-73.2	-37.1	175	-169.6	172.3	-178.9	179.3	0	111.9	Y527 L528 I534	Y527-K530 PolarHBondContact O-N 2.87Å; Y527-K530 VanDerWaalsContact O-N 3.15Å; L528-K530 PolarHBondContact O-N 2.62Å; K530-I534 HydrophobicContact CG-CD1 4.21Å; K530-I534 WeakPolarHBondContact O-CG1 3.49Å; K530-I534 PolarHBondContact O-N 2.88Å
531	K	65.6	Low	57.9	Low	159 Å²	159	123.3 Å²	123.3	69%	0.691	60%	0.603	S	S	*	*	H	α-helix	trans	-64.3	-46.3	173.9	-164.3	-178	-178.4	-171.8	0	110.7	Y527 L528 K533 I534 V535	Y527-K531 PolarHBondContact O-N 2.83Å; Y527-K531 VanDerWaalsContact O-N 3.1Å; L528-K531 PolarHBondContact O-N 3.03Å; K531-K533 PolarHBondContact O-N 3.03Å; K531-I534 PolarHBondContact O-N 2.86Å; K531-V535 WeakPolarHBondContact O-CG2 3.41Å; K531-V535 PolarHBondContact O-N 2.87Å; K531-V535 VanDerWaalsContact O-N 3.07Å
532	Q	65.6	Low	57.9	Low	117 Å²	117	124.1 Å²	124.1	55%	0.547	61%	0.608	S	S	.	*	H	α-helix	trans	-59.1	-45.4	176.2	-73.8	174.6	-32.8	0	0	112.4	L528 I534 V535 Q536	L528-Q532 PolarHBondContact O-N 2.75Å; Q532-I534 VanDerWaalsContact C-N 3.3Å; Q532-I534 PolarHBondContact O-N 2.89Å; Q532-V535 PolarHBondContact O-N 2.87Å; Q532-Q536 PolarHBondContact O-N 3.35Å
533	K	67.8	Low	57.7	Low	145 Å²	145	120.5 Å²	120.5	63%	0.63	60%	0.601	S	S	*	*	H	α-helix	trans	-64.2	-32	178.3	-126.4	178.6	-176.3	-177.2	0	113.4	N529 K531 I537	N529-K533 WeakPolarHBondContact O-CB 3.48Å; N529-K533 PolarHBondContact O-N 2.78Å; K531-K533 PolarHBondContact O-N 3.03Å; K533-I537 WeakPolarHBondContact O-CD1 3.2Å; K533-I537 VanDerWaalsContact O-CG1 3.22Å; K533-I537 WeakPolarHBondContact O-CG1 3.41Å; K533-I537 PolarHBondContact O-N 3.29Å; K533-I537 VanDerWaalsContact O-N 3.14Å
534	I	66.4	Low	57.7	Low	104 Å²	104	117.3 Å²	117.3	53%	0.533	60%	0.595	S	S	.	*	H	α-helix	trans	-70.5	-41.4	174.5	-69.1	166.4	0	0	0	110.9	K530 K531 Q532 I537 A538	K530-I534 HydrophobicContact CG-CD1 4.21Å; K530-I534 WeakPolarHBondContact O-CG1 3.49Å; K530-I534 PolarHBondContact O-N 2.88Å; K531-I534 PolarHBondContact O-N 2.86Å; Q532-I534 VanDerWaalsContact C-N 3.3Å; Q532-I534 PolarHBondContact O-N 2.89Å; I534-I537 PolarHBondContact O-N 3.33Å; I534-A538 PolarHBondContact O-N 2.83Å
535	V	67.5	Low	57.3	Low	90 Å²	90	118.9 Å²	118.9	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-62.2	-44.6	175.8	173.5	0	0	0	0	111.2	K531 Q532 I537 A538 S539	K531-V535 WeakPolarHBondContact O-CG2 3.41Å; K531-V535 PolarHBondContact O-N 2.87Å; K531-V535 VanDerWaalsContact O-N 3.07Å; Q532-V535 PolarHBondContact O-N 2.87Å; V535-I537 PolarHBondContact O-N 3.41Å; V535-A538 WeakPolarHBondContact O-CB 3.49Å; V535-A538 PolarHBondContact O-N 2.91Å; V535-S539 PolarHBondContact O-N 2.87Å; V535-S539 PolarHBondContact O-OG 3.32Å
536	Q	61.4	Low	56.7	Low	121 Å²	121	120 Å²	120	57%	0.565	61%	0.607	S	S	*	*	H	α-helix	trans	-62	-39.2	175.7	-74.2	-179.5	-41.1	0	0	113	Q532 A538 S539 S540	Q532-Q536 PolarHBondContact O-N 3.35Å; Q536-A538 VanDerWaalsContact C-N 3.3Å; Q536-S539 PolarHBondContact O-OG 3.1Å; Q536-S540 VanDerWaalsContact O-CB 3.32Å; Q536-S540 WeakPolarHBondContact O-CB 3.29Å; Q536-S540 PolarHBondContact O-N 3.3Å; Q536-S540 PolarHBondContact O-OG 3.5Å
537	I	63.2	Low	56.3	Low	103 Å²	103	118.7 Å²	118.7	53%	0.528	61%	0.607	S	S	.	*	H	α-helix	trans	-69.8	-29.3	176.8	-69.5	165.8	0	0	0	111.6	K533 I534 V535 K541	K533-I537 WeakPolarHBondContact O-CD1 3.2Å; K533-I537 VanDerWaalsContact O-CG1 3.22Å; K533-I537 WeakPolarHBondContact O-CG1 3.41Å; K533-I537 PolarHBondContact O-N 3.29Å; K533-I537 VanDerWaalsContact O-N 3.14Å; I534-I537 PolarHBondContact O-N 3.33Å; V535-I537 PolarHBondContact O-N 3.41Å; I537-K541 WeakPolarHBondContact O-CG 3.14Å
538	A	54.4	Low	55.6	Low	59 Å²	59	113 Å²	113	49%	0.488	60%	0.599	S	S	.	*	H	α-helix	trans	-71.4	-51.3	173.2	0	0	0	0	0	111.5	I534 V535 Q536 S540 K541 S542	I534-A538 PolarHBondContact O-N 2.83Å; V535-A538 WeakPolarHBondContact O-CB 3.49Å; V535-A538 PolarHBondContact O-N 2.91Å; Q536-A538 VanDerWaalsContact C-N 3.3Å; A538-S540 VanDerWaalsContact C-N 3.33Å; A538-S540 PolarHBondContact O-N 2.91Å; A538-K541 PolarHBondContact O-N 2.86Å; A538-K541 VanDerWaalsContact O-N 3.13Å; A538-S542 PolarHBondContact O-N 3.04Å
539	S	55.5	Low	54.4	Low	73 Å²	73	115.7 Å²	115.7	51%	0.51	61%	0.614	S	S	.	*	H	α-helix	trans	-63.7	-36.5	-179.3	60.1	0	0	0	0	112.9	V535 Q536 K541 S542	V535-S539 PolarHBondContact O-N 2.87Å; V535-S539 PolarHBondContact O-OG 3.32Å; Q536-S539 PolarHBondContact O-OG 3.1Å; S539-K541 PolarHBondContact O-N 3.41Å; S539-S542 PolarHBondContact O-N 3.49Å
540	S	53.5	Low	53.5	Low	74 Å²	74	120.3 Å²	120.3	52%	0.517	63%	0.629	S	S	.	*	H	α-helix	trans	-66.5	-15.6	177.2	-54.4	0	0	0	0	114	Q536 A538	Q536-S540 VanDerWaalsContact O-CB 3.32Å; Q536-S540 WeakPolarHBondContact O-CB 3.29Å; Q536-S540 PolarHBondContact O-N 3.3Å; Q536-S540 PolarHBondContact O-OG 3.5Å; A538-S540 VanDerWaalsContact C-N 3.33Å; A538-S540 PolarHBondContact O-N 2.91Å
541	K	52	Low	52.4	Low	136 Å²	136	120.6 Å²	120.6	59%	0.591	64%	0.636	S	S	*	*	H	α-helix	trans	-97.8	-17.7	179.6	-77.3	-169.6	168.7	-159.8	0	114.1	I537 A538 S539 S543	I537-K541 WeakPolarHBondContact O-CG 3.14Å; A538-K541 PolarHBondContact O-N 2.86Å; A538-K541 VanDerWaalsContact O-N 3.13Å; S539-K541 PolarHBondContact O-N 3.41Å; K541-S543 VanDerWaalsContact C-N 3.31Å
542	S	49.3	Very low	50.9	Low	84 Å²	84	121.6 Å²	121.6	59%	0.587	65%	0.645	S	S	*	*	H	α-helix	trans	-67.8	-32.7	176.2	-62.1	0	0	0	0	112.1	A538 S539	A538-S542 PolarHBondContact O-N 3.04Å; S539-S542 PolarHBondContact O-N 3.49Å
543	S	46.9	Very low	49.3	Very low	84 Å²	84	119.1 Å²	119.1	59%	0.587	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-9.7	-176.4	47.1	0	0	0	0	115.6	K541	K541-S543 VanDerWaalsContact C-N 3.31Å
544	E	45.2	Very low	47.8	Very low	154 Å²	154	120.5 Å²	120.5	72%	0.72	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-9.6	177.2	-68	-171.5	137.6	0	0	113.5
545	L	44.3	Very low	46.3	Very low	127 Å²	127	124.1 Å²	124.1	67%	0.665	67%	0.671	S	S	*	*	S	Bend	trans	-95.5	-16	-173	-91.2	159.2	0	0	0	115.1	I547	L545-I547 PolarHBondContact O-N 3.11Å; L545-I547 VanDerWaalsContact O-N 3.13Å
546	E	41.8	Very low	44.5	Very low	175 Å²	175	125.4 Å²	125.4	82%	0.818	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-0.8	-176.8	-60.4	-166.9	135.2	0	0	114.8
547	I	42.7	Very low	43.1	Very low	148 Å²	148	129.7 Å²	129.7	76%	0.759	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-14	-175.1	-59.1	179.2	0	0	0	112.3	L545	L545-I547 PolarHBondContact O-N 3.11Å; L545-I547 VanDerWaalsContact O-N 3.13Å
548	A	37.3	Very low	41.4	Very low	69 Å²	69	133.8 Å²	133.8	57%	0.57	72%	0.715	S	S	*	*	S	Bend	trans	-81.2	-35.3	-171.8	0	0	0	0	0	115.4	K550	A548-K550 PolarHBondContact O-N 3.01Å
549	D	36.6	Very low	40.3	Very low	163 Å²	163	139 Å²	139	87%	0.872	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	25.5	-163.9	-77.2	-13.3	0	0	0	115.6
550	K	41.2	Very low	39	Very low	200 Å²	200	144.1 Å²	144.1	87%	0.87	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	7.6	-174	-119.1	167.2	-173.4	165.4	0	115.9	A548	A548-K550 PolarHBondContact O-N 3.01Å
551	I	41.4	Very low	37.8	Very low	147 Å²	147	149.4 Å²	149.4	75%	0.754	76%	0.762	S	S	*	*	S	Bend	trans	-134	147.2	-179.7	-48.5	-179.3	0	0	0	108.7
552	M	35.3	Very low	36.7	Very low	180 Å²	180	148.5 Å²	148.5	89%	0.887	77%	0.768	S	S	*	*			trans	73.2	58.1	179.7	-49.9	-57.6	-73	0	0	117.2
553	G	31	Very low	35.8	Very low	65 Å²	65	151 Å²	151	67%	0.67	78%	0.775	S	S	*	*			trans	-85.7	147.6	160.9	0	0	0	0	0	112.5
554	H	36.5	Very low	35	Very low	174 Å²	174	154.8 Å²	154.8	81%	0.806	79%	0.788	S	S	*	*			trans	-164.4	118	148.8	-104.5	-63.7	0	0	0	114.6
555	K	34.9	Very low	34.4	Very low	180 Å²	180	153.6 Å²	153.6	78%	0.783	79%	0.791	S	S	*	*			trans	27	99.4	147.2	-59.3	176.9	-178.5	177.7	0	117.2
556	S	29.9	Very low	33.4	Very low	118 Å²	118	156.1 Å²	156.1	83%	0.825	80%	0.797	S	S	*	*				67.1	115.6	74.2	-53.9	0	0	0	0	116.8
557	K	32.1	Very low	33	Very low	211 Å²	211	154 Å²	154	92%	0.917	80%	0.795	S	S	*	*				-150.9	146.2	128.7	-111.1	178.4	-179	-174.9	0	109.7
558	K	28.5	Very low	32.2	Very low	189 Å²	189	154.2 Å²	154.2	82%	0.822	79%	0.793	S	S	*	*			trans	-108.8	149.8	174.2	-67.9	174.7	177.8	172.8	0	108
559	D	29.6	Very low	31.6	Very low	168 Å²	168	156.9 Å²	156.9	90%	0.898	81%	0.807	S	S	*	*			trans	-133	146.2	144.7	-84.2	-55.8	0	0	0	108.8
560	K	29.3	Very low	31.4	Very low	180 Å²	180	155.6 Å²	155.6	78%	0.783	80%	0.804	S	S	*	*			trans	-107.6	140.6	173.8	-74.9	-177	173.5	-174.1	0	108.2
561	F	28.9	Very low	30.7	Very low	186 Å²	186	153.4 Å²	153.4	82%	0.816	80%	0.802	S	S	*	*			trans	-137.4	117.7	152.9	-116.3	-84	0	0	0	110.2
562	T	27.2	Very low	30.3	Very low	117 Å²	117	155.4 Å²	155.4	72%	0.718	81%	0.808	S	S	*	*			trans	-109.6	129.7	169.1	44.6	0	0	0	0	107
563	N	31.8	Very low	30	Very low	137 Å²	137	154 Å²	154	73%	0.733	80%	0.804	S	S	*	*			trans	-138.5	102.4	171.3	-85.3	-25.3	0	0	0	108.6
564	D	29.2	Very low	30.2	Very low	162 Å²	162	159.8 Å²	159.8	87%	0.866	81%	0.813	S	S	*	*			trans	-73.2	137.1	163.2	-62.4	-72.1	0	0	0	109.3
565	V	33.1	Very low	29.9	Very low	130 Å²	130	156.3 Å²	156.3	79%	0.788	81%	0.808	S	S	*	*			trans	-134.5	109.4	166.1	-178.1	0	0	0	0	108.7	V567	V565-V567 HydrophobicContact CG1-CG2 4.16Å
566	K	24.1	Very low	30	Very low	180 Å²	180	154.9 Å²	154.9	78%	0.783	81%	0.809	S	S	*	*			trans	-121.8	116.2	172.5	179.6	-167	175.4	-162.5	0	107
567	V	32.1	Very low	30.2	Very low	130 Å²	130	156.5 Å²	156.5	79%	0.788	81%	0.808	S	S	*	*			trans	-136.9	143	175.9	-176.9	0	0	0	0	108.6	V565	V565-V567 HydrophobicContact CG1-CG2 4.16Å
568	E	26.9	Very low	30.3	Very low	152 Å²	152	149.5 Å²	149.5	71%	0.71	80%	0.796	S	S	*	*			trans	-100.4	164.5	-165	-66.4	157.7	151.3	0	0	112.5
569	C	24.4	Very low	30.5	Very low	126 Å²	126	147.5 Å²	147.5	85%	0.851	80%	0.795	S	S	*	*			trans	-109	132.7	170.6	-64.5	0	0	0	0	110.4
570	T	31.2	Very low	30.7	Very low	135 Å²	135	145.2 Å²	145.2	83%	0.828	79%	0.786	S	S	*	*			trans	-130.8	122	170.9	54.2	0	0	0	0	110.4
571	N	27.8	Very low	30.7	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	78%	0.781	S	S	*	*			trans	-81.5	152.3	176.9	-65	-33	0	0	0	111.5
572	Q	32.5	Very low	30.9	Very low	189 Å²	189	139.9 Å²	139.9	88%	0.883	77%	0.774	S	S	*	*			trans	-134	139.6	152.4	-68.4	-167.1	5.2	0	0	110.3
573	L	29.1	Very low	31.2	Very low	151 Å²	151	141.9 Å²	141.9	79%	0.791	78%	0.775	S	S	*	*			trans	-103	153.2	178.5	-74.6	141.6	0	0	0	109.8
574	H	34.6	Very low	31.1	Very low	187 Å²	187	140 Å²	140	87%	0.866	77%	0.771	S	S	*	*			trans	-146.3	140.6	150	-86.8	97.3	0	0	0	110
575	S	31.5	Very low	31.1	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	76%	0.764	S	S	*	*			trans	-118.6	161.1	179.7	-62.1	0	0	0	0	110.4
576	N	36.4	Very low	30.9	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	76%	0.756	S	S	*	*			trans	167.8	156.3	145	-88.6	-29.6	0	0	0	111.6
577	N	33.3	Very low	31.1	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	76%	0.761	S	S	*	*			cis	-165.1	147.1	-41.7	-145.5	-22.7	0	0	0	111.3
578	G	34.9	Very low	30.8	Very low	64 Å²	64	134.9 Å²	134.9	66%	0.66	76%	0.757	S	S	*	*			trans	74.4	170	158.2	0	0	0	0	0	119.9
579	N	32.7	Very low	30.9	Very low	148 Å²	148	134.5 Å²	134.5	79%	0.791	77%	0.766	S	S	*	*			cis	-165.6	169.6	-21.7	-146.6	-9.4	0	0	0	112.4
580	V	34.1	Very low	31.3	Very low	119 Å²	119	135.4 Å²	135.4	72%	0.721	76%	0.762	S	S	*	*			trans	70.1	146.1	156.2	166.6	0	0	0	0	119.1
581	I	29.9	Very low	31.5	Very low	129 Å²	129	136.6 Å²	136.6	66%	0.662	76%	0.761	S	S	*	*			cis	-175.3	162	-42.3	-112.8	165.4	0	0	0	109.4
582	N	31.6	Very low	31.7	Very low	125 Å²	125	135.4 Å²	135.4	67%	0.668	76%	0.755	S	S	*	*			trans	68.3	155.8	163.4	-81	0.7	0	0	0	120.2
583	Q	34	Very low	31.8	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	75%	0.747	S	S	*	*			cis	-158.8	-170.5	-28.4	-127.2	168.7	1.1	0	0	111.1
584	C	28.6	Very low	32.1	Very low	97 Å²	97	132.7 Å²	132.7	66%	0.655	74%	0.736	S	S	*	*			trans	-60	-177.2	-175.3	60.5	0	0	0	0	116.6
585	D	31.1	Very low	32.2	Very low	133 Å²	133	131 Å²	131	71%	0.711	73%	0.728	S	S	*	*			cis	-157.9	168.5	23.3	-133.2	-42.9	0	0	0	116.7
586	T	27.7	Very low	32.2	Very low	103 Å²	103	133.5 Å²	133.5	63%	0.632	73%	0.726	S	S	*	*			trans	-15.7	137.4	160.1	-51.3	0	0	0	0	118.3
587	T	27.9	Very low	32.3	Very low	144 Å²	144	132.3 Å²	132.3	88%	0.883	72%	0.72	S	S	*	*				-170.5	157.9	101.4	23.6	0	0	0	0	116.7
588	T	27.4	Very low	32.1	Very low	116 Å²	116	134.1 Å²	134.1	71%	0.712	72%	0.723	S	S	*	*			trans	-84.2	147.7	-175.8	-53.9	0	0	0	0	114.7
589	T	29.2	Very low	32.1	Very low	144 Å²	144	138.7 Å²	138.7	88%	0.883	73%	0.731	S	S	*	*			trans	-162.9	147.6	137.2	5.5	0	0	0	0	113.4
590	N	32.1	Very low	32	Very low	144 Å²	144	139 Å²	139	77%	0.77	73%	0.733	S	S	*	*			trans	-94.4	161.7	174.1	-76.8	-47.5	0	0	0	111.4
591	I	35.1	Very low	32.1	Very low	160 Å²	160	140.1 Å²	140.1	82%	0.821	73%	0.733	S	S	*	*			trans	-164.9	113.8	137.8	-99.8	146.8	0	0	0	110.3
592	N	32.9	Very low	32.3	Very low	129 Å²	129	143.2 Å²	143.2	69%	0.69	74%	0.742	S	S	*	*				24.7	143.8	120	-74.3	-25.1	0	0	0	118.1
593	K	34.6	Very low	32.2	Very low	164 Å²	164	146.6 Å²	146.6	71%	0.713	75%	0.751	S	S	*	*			cis	179.8	174	26.9	-117.7	170.2	-179.2	-134.5	0	107.6
594	Q	35.3	Very low	31.9	Very low	119 Å²	119	143.9 Å²	143.9	56%	0.556	75%	0.747	S	S	*	*			cis	-163.9	159.1	-11	-151.5	168.6	-68.2	0	0	107.4
595	H	35.9	Very low	32.1	Very low	151 Å²	151	147 Å²	147	70%	0.699	76%	0.756	S	S	*	*			trans	69.7	156.8	158.2	-75.1	-44.6	0	0	0	120.3
596	K	32.1	Very low	32.2	Very low	154 Å²	154	145.3 Å²	145.3	67%	0.67	75%	0.754	S	S	*	*			cis	-153.4	156.2	8	-133.2	176.9	163.9	-109.5	0	114.8
597	D	37	Very low	32.7	Very low	126 Å²	126	145.7 Å²	145.7	67%	0.674	76%	0.761	S	S	*	*			trans	64.8	157.2	154.7	-54.9	-29.9	0	0	0	121.6
598	E	31.1	Very low	33.4	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	76%	0.756	S	S	*	*			trans	-117.8	146.1	-156.8	-57.8	164.7	112.3	0	0	114.3
599	I	33.9	Very low	34.6	Very low	160 Å²	160	150.8 Å²	150.8	82%	0.821	76%	0.764	S	S	*	*			trans	-140.8	129.6	144.2	-60.7	-174	0	0	0	108.2	I601	I599-I601 HydrophobicContact CG2-CG1 4.5Å; I599-I601 PolarHBondContact O-N 2.74Å
600	D	31.4	Very low	36	Very low	154 Å²	154	148 Å²	148	82%	0.824	74%	0.743	S	S	*	*			trans	-88.7	101.9	-170.7	-152.7	-0.5	0	0	0	112.2
601	I	36.2	Very low	38	Very low	144 Å²	144	149.2 Å²	149.2	74%	0.738	74%	0.741	S	S	*	*			trans	-128.4	121.6	170.1	-57.9	-178.3	0	0	0	109.2	I599 K603	I599-I601 HydrophobicContact CG2-CG1 4.5Å; I599-I601 PolarHBondContact O-N 2.74Å; I601-K603 PolarHBondContact O-N 3.31Å
602	K	34.1	Very low	40.3	Very low	194 Å²	194	147.7 Å²	147.7	84%	0.843	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-66.7	118.6	-171	-69.2	171.2	-179	169.5	0	111.4
603	K	29	Very low	42.9	Very low	196 Å²	196	143.5 Å²	143.5	85%	0.852	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-61.6	147	178.8	-72.2	174.7	179.7	170.9	0	111.7	I601	I601-K603 PolarHBondContact O-N 3.31Å
604	P	27.8	Very low	45.7	Very low	101 Å²	101	140.8 Å²	140.8	66%	0.656	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-64.1	150.2	-177.3	26.9	-35.8	0	0	0	112.2	S606	P604-S606 PolarHBondContact O-N 3.03Å; P604-S606 VanDerWaalsContact O-N 3.13Å
605	I	33.7	Very low	48.4	Very low	164 Å²	164	137.9 Å²	137.9	84%	0.841	68%	0.682	S	S	*	*			trans	-59	115	-178.6	-62.5	166.4	0	0	0	109.7
606	S	32.1	Very low	51.2	Low	97 Å²	97	130.7 Å²	130.7	68%	0.678	65%	0.649	S	S	*	*			trans	-68.6	143.8	167.1	53.5	0	0	0	0	109.9	P604 K608	P604-S606 PolarHBondContact O-N 3.03Å; P604-S606 VanDerWaalsContact O-N 3.13Å; S606-K608 PolarHBondContact O-N 3.17Å
607	S	38.9	Very low	54.2	Low	111 Å²	111	124.4 Å²	124.4	78%	0.776	62%	0.622	S	S	*	*			trans	-58.4	104.7	175.7	52.1	0	0	0	0	109.9	Q609	S607-Q609 PolarHBondContact O-N 3.18Å
608	K	42.5	Very low	56.9	Low	182 Å²	182	118.4 Å²	118.4	79%	0.791	59%	0.59	S	S	*	*			trans	-58.9	109.8	177.6	-72.2	-178.2	177.7	178.8	0	109	S606 L610	S606-K608 PolarHBondContact O-N 3.17Å; K608-L610 PolarHBondContact O-N 3.21Å
609	Q	51.1	Low	59.9	Low	185 Å²	185	113.7 Å²	113.7	86%	0.864	57%	0.565	S	S	*	*			trans	-60.7	111.3	167.2	-71.1	-178	-10.1	0	0	107.9	S607 K611	S607-Q609 PolarHBondContact O-N 3.18Å; Q609-K611 PolarHBondContact O-N 3.15Å
610	L	60.2	Low	62.7	Low	84 Å²	84	109.7 Å²	109.7	44%	0.44	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-61.4	120.9	177	-70.8	163.7	0	0	0	108.4	K608 K612 Q691	K608-L610 PolarHBondContact O-N 3.21Å; L610-K612 PolarHBondContact O-N 3.19Å; L610-Q691 HydrophobicContact CD2-CG 4.09Å; L610-Q691 VanDerWaalsContact CD2-NE2 3.32Å
611	K	73.3	Confident	65.7	Low	171 Å²	171	102.5 Å²	102.5	74%	0.743	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-61	124.1	175.6	-71.7	-176	175.4	-178.3	0	108.8	Q609 N613	Q609-K611 PolarHBondContact O-N 3.15Å; K611-N613 PolarHBondContact O-N 3.21Å
612	K	83.9	Confident	68.4	Low	128 Å²	128	95.7 Å²	95.7	56%	0.557	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-64.2	131.1	172.7	-61.4	-178.3	-177.1	178.9	0	108.7	L610 L664 Y689	L610-K612 PolarHBondContact O-N 3.19Å; K612-L664 HydrophobicContact CB-CD1 3.95Å; K612-L664 HydrophobicContact CB-CD2 4.33Å; K612-L664 HydrophobicContact CB-CG 4.43Å; K612-L664 HydrophobicContact CD-CD2 4.26Å; K612-Y689 HydrophobicContact CB-CE1 4.29Å; K612-Y689 HydrophobicContact CG-CE2 4.13Å
613	N	86.8	Confident	71.2	Confident	41 Å²	41	92 Å²	92	22%	0.219	46%	0.455	C	S	.	.			trans	-134.5	155.8	-176.5	-85.6	-23.6	0	0	0	110.3	K611 I615 Y689 A690 T692	K611-N613 PolarHBondContact O-N 3.21Å; N613-I615 PolarHBondContact O-N 2.97Å; N613-Y689 VanDerWaalsContact O-CD1 3.3Å; N613-Y689 WeakPolarHBondContact O-CD1 3.31Å; N613-A690 PolarHBondContact ND2-O 2.76Å; N613-T692 PolarHBondContact ND2-OG1 3.08Å
614	K	92.8	Very high	74.2	Confident	106 Å²	106	88.7 Å²	88.7	46%	0.461	44%	0.443	S	S	.	.	S	Bend	trans	-64.1	-19.4	173.1	-70.2	-169.6	179.7	-165.3	0	113.8	F661 D662	K614-F661 WeakPolarHBondContact CB-O 3.41Å; K614-F661 PolarHBondContact O-N 2.91Å; K614-D662 WeakPolarHBondContact CD-O 3.2Å; K614-D662 WeakPolarHBondContact CE-O 3.17Å; K614-D662 PolarHBondContact NZ-O 2.92Å
615	I	93.5	Very high	77.3	Confident	59 Å²	59	84.1 Å²	84.1	30%	0.303	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.2	-178.1	-55.9	172.5	0	0	0	109.2	N613 F658 V659 E660 A690	N613-I615 PolarHBondContact O-N 2.97Å; I615-F658 HydrophobicContact CG2-CB 4.06Å; I615-F658 HydrophobicContact CG2-CD1 4.2Å; I615-V659 CarbonylContact C-O 3.52Å; I615-V659 WeakPolarHBondContact CA-O 3.25Å; I615-E660 HydrophobicContact CG1-CB 4.21Å; I615-E660 HydrophobicContact CG1-CG 4Å; I615-A690 HydrophobicContact CB-CB 4.14Å; I615-A690 HydrophobicContact CG2-CB 3.82Å; I615-A690 WeakPolarHBondContact O-CB 3.42Å; I615-A690 PolarHBondContact O-N 3.03Å
616	L	94.1	Very high	80.2	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.4	168.6	-55.6	-175.8	0	0	0	110.1	F658 V659 F661 A667 A670 L671 M687 E688 Y689	L616-F658 WeakPolarHBondContact O-CA 3.32Å; L616-V659 PolarHBondContact N-O 3.38Å; L616-V659 PolarHBondContact O-N 3.18Å; L616-F661 HydrophobicContact CD1-CD2 4.49Å; L616-F661 HydrophobicContact CD1-CE2 3.91Å; L616-F661 HydrophobicContact CG-CE2 4.31Å; L616-A667 WeakPolarHBondContact CD1-O 3.27Å; L616-A667 HydrophobicContact CD2-CB 4.14Å; L616-A667 HydrophobicContact CG-CB 4.22Å; L616-A670 HydrophobicContact CD1-CB 3.96Å; L616-L671 HydrophobicContact CD1-CB 4.32Å; L616-M687 HydrophobicContact CD1-CE 3.44Å; L616-M687 VanDerWaalsContact CD1-CE 3.44Å; L616-E688 CarbonylContact C-O 3.56Å; L616-E688 VanDerWaalsContact CA-O 3.32Å; L616-E688 WeakPolarHBondContact CA-O 3.12Å; L616-Y689 HydrophobicContact CD2-CD1 3.6Å; L616-Y689 HydrophobicContact CD2-CE1 3.86Å; L616-Y689 HydrophobicContact CD2-CG 4.32Å
617	I	94.4	Very high	83.1	Confident	21 Å²	21	78.8 Å²	78.8	11%	0.108	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.2	165	-174.1	173	0	0	0	109	R619 F656 F658 E688 A690	I617-R619 HydrophobicContact CD1-CG 4.3Å; I617-R619 HydrophobicContact CG1-CG 4.11Å; I617-F656 HydrophobicContact CD1-CD2 4.4Å; I617-F658 HydrophobicContact CB-CD1 4.15Å; I617-F658 HydrophobicContact CB-CE1 4.15Å; I617-F658 HydrophobicContact CD1-CE1 3.87Å; I617-F658 HydrophobicContact CD1-CZ 4.26Å; I617-F658 HydrophobicContact CG1-CD1 4.25Å; I617-F658 HydrophobicContact CG1-CE1 4.01Å; I617-E688 HydrophobicContact CG2-CB 3.89Å; I617-E688 PolarHBondContact N-O 3.12Å; I617-E688 PolarHBondContact O-N 2.8Å; I617-E688 VanDerWaalsContact O-N 3.08Å; I617-A690 HydrophobicContact CB-CB 4.2Å; I617-A690 HydrophobicContact CG2-CB 4.45Å
618	V	94.2	Very high	85.7	Confident	0 Å²	0	81 Å²	81	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.6	177.5	-173.4	0	0	0	0	107.7	I621 F634 F656 A657 V659 L685 L686 M687	V618-I621 HydrophobicContact CB-CD1 4.14Å; V618-I621 HydrophobicContact CG1-CD1 4Å; V618-I621 HydrophobicContact CG1-CG1 3.96Å; V618-F634 HydrophobicContact CG2-CE2 4.08Å; V618-F634 HydrophobicContact CG2-CZ 3.85Å; V618-F656 CarbonylContact O-C 3.55Å; V618-F656 WeakPolarHBondContact O-CA 3.49Å; V618-F656 VanDerWaalsContact O-CB 3.29Å; V618-F656 WeakPolarHBondContact O-CB 3.35Å; V618-A657 PolarHBondContact N-O 3.29Å; V618-A657 PolarHBondContact O-N 3.34Å; V618-V659 HydrophobicContact CG2-CG2 3.69Å; V618-L685 HydrophobicContact CG1-CB 4.2Å; V618-L685 HydrophobicContact CG1-CD1 4.31Å; V618-L685 HydrophobicContact CG1-CD2 4.31Å; V618-L686 CarbonylContact C-O 3.54Å; V618-L686 WeakPolarHBondContact CA-O 3.33Å; V618-M687 HydrophobicContact CG1-CG 4.23Å; V618-M687 HydrophobicContact CG2-CE 4.47Å; V618-M687 HydrophobicContact CG2-CG 4.17Å
619	R	93.6	Very high	88.1	Confident	90 Å²	90	73.4 Å²	73.4	34%	0.34	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	171.1	179.7	-54.7	-175	-168.9	132.3	17.2	111.2	I617 I621 F656 L686 E688	I617-R619 HydrophobicContact CD1-CG 4.3Å; I617-R619 HydrophobicContact CG1-CG 4.11Å; R619-I621 PolarHBondContact O-N 3.47Å; R619-F656 HydrophobicContact CG-CB 4.31Å; R619-L686 HydrophobicContact CB-CB 4.24Å; R619-L686 PolarHBondContact N-O 2.98Å; R619-L686 PolarHBondContact O-N 2.82Å; R619-E688 IonicContact CZ-OE1 2.9Å; R619-E688 IonicContact CZ-OE2 2.86Å; R619-E688 IonicContact NH1-OE1 3.46Å; R619-E688 PolarHBondContact NH1-OE1 3.33Å; R619-E688 IonicContact NH1-OE2 3.5Å; R619-E688 PolarHBondContact NH1-OE2 2.87Å; R619-E688 IonicContact NH2-OE1 3.1Å; R619-E688 IonicContact NH2-OE2 2.69Å; R619-E688 PolarHBondContact NH2-OE2 3.27Å
620	N	93.1	Very high	90.2	Very high	76 Å²	76	64.7 Å²	64.7	41%	0.406	30%	0.301	S	S	.	.	S	Bend	trans	60.3	26.4	-177.2	-163.8	41.1	0	0	0	114.4	G655 R684 L686	N620-G655 PolarHBondContact N-O 2.93Å; N620-G655 VanDerWaalsContact N-O 3.14Å; N620-R684 PolarHBondContact ND2-O 2.7Å; N620-L686 HydrophobicContact CB-CD1 4.2Å; N620-L686 HydrophobicContact CB-CG 4.25Å
621	I	94.1	Very high	91.8	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.015	30%	0.296	C	S	.	.			trans	-66	126.9	177.4	-53.8	-177.6	0	0	0	108.6	V618 R619 F623 A625 L630 L645 G655 A657 L685	V618-I621 HydrophobicContact CB-CD1 4.14Å; V618-I621 HydrophobicContact CG1-CD1 4Å; V618-I621 HydrophobicContact CG1-CG1 3.96Å; R619-I621 PolarHBondContact O-N 3.47Å; I621-F623 PolarHBondContact O-N 3.37Å; I621-A625 HydrophobicContact CG2-CB 4.02Å; I621-L630 HydrophobicContact CD1-CD1 3.91Å; I621-L630 HydrophobicContact CD1-CD2 4.14Å; I621-L630 HydrophobicContact CG2-CD1 4.42Å; I621-L630 HydrophobicContact CG2-CD2 4.31Å; I621-L645 HydrophobicContact CD1-CD1 4.35Å; I621-G655 PolarHBondContact N-O 2.77Å; I621-A657 HydrophobicContact CD1-CB 3.46Å; I621-A657 VanDerWaalsContact CD1-CB 3.46Å; I621-L685 HydrophobicContact CG1-CD2 4.2Å
622	P	93.5	Very high	92.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.27	C	S	.	.			trans	-59.2	135.3	178.9	28.2	-38.6	0	0	0	111.1	Q624 A625 H653 L680 L681 R683	P622-Q624 PolarHBondContact O-N 3.34Å; P622-A625 HydrophobicContact CG-CB 3.83Å; P622-A625 PolarHBondContact O-N 3.39Å; P622-H653 PolarHBondContact O-CE1 3.02Å; P622-H653 VanDerWaalsContact O-CE1 3.24Å; P622-H653 PolarHBondContact O-NE2 3.47Å; P622-L680 HydrophobicContact CG-CB 4.36Å; P622-L680 HydrophobicContact CG-CD2 4.39Å; P622-L680 HydrophobicContact CG-CG 4.27Å; P622-L680 WeakPolarHBondContact CG-O 3.43Å; P622-L681 HydrophobicContact CB-CB 4.16Å; P622-L681 HydrophobicContact CG-CB 3.96Å; P622-L681 HydrophobicContact CG-CD1 4.11Å; P622-L681 HydrophobicContact CG-CG 4.41Å; P622-R683 HydrophobicContact CB-CB 4.5Å; P622-R683 HydrophobicContact CB-CG 4.37Å
623	F	92.9	Very high	93.1	Very high	116 Å²	116	51.4 Å²	51.4	51%	0.509	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-6.6	-177.2	-62.8	-54.8	0	0	0	115.4	I621 H653	I621-F623 PolarHBondContact O-N 3.37Å; F623-H653 VanDerWaalsContact CA-NE2 3.28Å; F623-H653 WeakPolarHBondContact CA-NE2 3.27Å
624	Q	92.2	Very high	93.4	Very high	128 Å²	128	49.5 Å²	49.5	60%	0.598	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-22.2	175.2	-69.2	78.4	19.5	0	0	113.5	P622 L681	P622-Q624 PolarHBondContact O-N 3.34Å; Q624-L681 HydrophobicContact CB-CD1 3.71Å
625	A	93.3	Very high	93.3	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.041	24%	0.236	C	C	.	.			trans	-75.5	143.3	-172.3	0	0	0	0	0	112.7	I621 P622 H653 L680 L681	I621-A625 HydrophobicContact CG2-CB 4.02Å; P622-A625 HydrophobicContact CG-CB 3.83Å; P622-A625 PolarHBondContact O-N 3.39Å; A625-H653 PolarHBondContact O-NE2 2.85Å; A625-L680 HydrophobicContact CB-CD2 3.75Å; A625-L681 HydrophobicContact CB-CD1 4.2Å
626	T	93	Very high	93	Very high	66 Å²	66	49 Å²	49	41%	0.405	24%	0.235	S	C	.	.			trans	-94.4	163.5	179.9	65.4	0	0	0	0	112.2	K628 E629 L630	T626-K628 PolarHBondContact O-N 2.96Å; T626-E629 WeakPolarHBondContact CB-OE2 3.45Å; T626-E629 PolarHBondContact N-OE2 2.98Å; T626-E629 PolarHBondContact O-N 3.27Å; T626-E629 VanDerWaalsContact OG1-CG 3.31Å; T626-E629 WeakPolarHBondContact OG1-CG 3.48Å; T626-E629 PolarHBondContact OG1-N 2.75Å; T626-E629 PolarHBondContact OG1-OE2 3Å; T626-L630 PolarHBondContact O-N 2.9Å
627	Q	93.8	Very high	92.8	Very high	82 Å²	82	50 Å²	50	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-29.7	171.4	-170.4	179.9	-5.1	0	0	111.8	L630 I631 V643 L645	Q627-L630 PolarHBondContact O-N 3.21Å; Q627-I631 HydrophobicContact CG-CD1 4.38Å; Q627-I631 WeakPolarHBondContact O-CD1 3.43Å; Q627-I631 WeakPolarHBondContact O-CG1 3.23Å; Q627-I631 PolarHBondContact O-N 2.56Å; Q627-I631 VanDerWaalsContact O-N 3.1Å; Q627-V643 HydrophobicContact CG-CG1 4.41Å; Q627-V643 PolarHBondContact NE2-O 2.94Å; Q627-L645 HydrophobicContact CB-CB 4.4Å; Q627-L645 HydrophobicContact CB-CD2 4.08Å; Q627-L645 HydrophobicContact CG-CB 4.35Å
628	K	92.9	Very high	92.5	Very high	158 Å²	158	50.1 Å²	50.1	69%	0.687	25%	0.247	S	C	*	.	H	α-helix	trans	-63.6	-49.8	174.8	-71.1	-169.3	172.8	-168.6	0	111.4	T626 L630 I631 E632	T626-K628 PolarHBondContact O-N 2.96Å; K628-L630 PolarHBondContact O-N 2.58Å; K628-I631 CarbonylContact O-C 3.58Å; K628-I631 WeakPolarHBondContact O-CA 3.46Å; K628-I631 WeakPolarHBondContact O-CB 3.44Å; K628-I631 PolarHBondContact O-N 3.49Å; K628-E632 WeakPolarHBondContact O-CG 3.47Å; K628-E632 PolarHBondContact O-N 2.91Å
629	E	93.4	Very high	92.3	Very high	23 Å²	23	51.9 Å²	51.9	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-31.8	178.9	-71	167.1	118.6	0	0	113.1	S269 V272 T626 L633	S269-E629 PolarHBondContact OG-OE1 2.85Å; V272-E629 HydrophobicContact CG2-CB 3.76Å; V272-E629 HydrophobicContact CG2-CG 4.06Å; V272-E629 WeakPolarHBondContact CG2-O 3.38Å; T626-E629 WeakPolarHBondContact CB-OE2 3.45Å; T626-E629 PolarHBondContact N-OE2 2.98Å; T626-E629 PolarHBondContact O-N 3.27Å; T626-E629 VanDerWaalsContact OG1-CG 3.31Å; T626-E629 WeakPolarHBondContact OG1-CG 3.48Å; T626-E629 PolarHBondContact OG1-N 2.75Å; T626-E629 PolarHBondContact OG1-OE2 3Å; E629-L633 WeakPolarHBondContact O-CB 3.35Å; E629-L633 PolarHBondContact O-N 3.12Å
630	L	94.4	Very high	92.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-36.1	172.5	-66.1	171.8	0	0	0	112.2	I621 T626 Q627 K628 L633 F634 V643 L645 A657 L680	I621-L630 HydrophobicContact CD1-CD1 3.91Å; I621-L630 HydrophobicContact CD1-CD2 4.14Å; I621-L630 HydrophobicContact CG2-CD1 4.42Å; I621-L630 HydrophobicContact CG2-CD2 4.31Å; T626-L630 PolarHBondContact O-N 2.9Å; Q627-L630 PolarHBondContact O-N 3.21Å; K628-L630 PolarHBondContact O-N 2.58Å; L630-L633 PolarHBondContact O-N 3.15Å; L630-F634 WeakPolarHBondContact O-CD2 3.33Å; L630-F634 PolarHBondContact O-N 3.24Å; L630-V643 HydrophobicContact CB-CG1 3.83Å; L630-V643 HydrophobicContact CD1-CG1 4.46Å; L630-L645 HydrophobicContact CD1-CD1 3.84Å; L630-L645 HydrophobicContact CD1-CD2 4.23Å; L630-L645 HydrophobicContact CD1-CG 4.46Å; L630-A657 HydrophobicContact CD1-CB 4.02Å; L630-L680 HydrophobicContact CD2-CD2 4.07Å
631	I	94.4	Very high	92.4	Very high	66 Å²	66	50.5 Å²	50.5	34%	0.338	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-50.7	172.6	-67.6	161.5	0	0	0	109.6	Q627 K628 L633 F634 Q635 L640 V643	Q627-I631 HydrophobicContact CG-CD1 4.38Å; Q627-I631 WeakPolarHBondContact O-CD1 3.43Å; Q627-I631 WeakPolarHBondContact O-CG1 3.23Å; Q627-I631 PolarHBondContact O-N 2.56Å; Q627-I631 VanDerWaalsContact O-N 3.1Å; K628-I631 CarbonylContact O-C 3.58Å; K628-I631 WeakPolarHBondContact O-CA 3.46Å; K628-I631 WeakPolarHBondContact O-CB 3.44Å; K628-I631 PolarHBondContact O-N 3.49Å; I631-L633 PolarHBondContact O-N 3.34Å; I631-F634 PolarHBondContact O-N 3.38Å; I631-F634 VanDerWaalsContact O-N 3.12Å; I631-Q635 VanDerWaalsContact O-CB 3.28Å; I631-Q635 WeakPolarHBondContact O-CB 3.37Å; I631-Q635 PolarHBondContact O-N 2.91Å; I631-L640 HydrophobicContact CG2-CD2 4.17Å; I631-V643 HydrophobicContact CG1-CB 3.81Å; I631-V643 HydrophobicContact CG1-CG1 4.36Å; I631-V643 HydrophobicContact CG1-CG2 3.69Å
632	E	91.9	Very high	92.4	Very high	39 Å²	39	54.1 Å²	54.1	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-32	176	-67.8	165.7	-128.4	0	0	112.5	S269 V272 K628	S269-E632 PolarHBondContact N-OE2 3.46Å; V272-E632 HydrophobicContact CB-CB 4.44Å; V272-E632 HydrophobicContact CG1-CB 3.92Å; V272-E632 HydrophobicContact CG2-CB 4.2Å; K628-E632 WeakPolarHBondContact O-CG 3.47Å; K628-E632 PolarHBondContact O-N 2.91Å
633	L	92.4	Very high	92.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-74.7	-32.8	177.8	-175	64.4	0	0	0	113.9	V272 A275 H276 E629 L630 I631 L674 L685	V272-L633 HydrophobicContact CG1-CB 4.24Å; V272-L633 HydrophobicContact CG1-CD1 4.36Å; A275-L633 HydrophobicContact CB-CD1 3.9Å; H276-L633 PolarHBondContact NE2-O 2.83Å; E629-L633 WeakPolarHBondContact O-CB 3.35Å; E629-L633 PolarHBondContact O-N 3.12Å; L630-L633 PolarHBondContact O-N 3.15Å; I631-L633 PolarHBondContact O-N 3.34Å; L633-L674 HydrophobicContact CD1-CD2 4.5Å; L633-L674 HydrophobicContact CG-CD1 4.37Å; L633-L674 WeakPolarHBondContact O-CD1 3.28Å; L633-L685 HydrophobicContact CD2-CD1 3.46Å; L633-L685 VanDerWaalsContact CD2-CD1 3.46Å
634	F	93.1	Very high	92.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-99.6	-14.5	-179.7	-68.9	-65.2	0	0	0	113.8	V618 L630 I631 I637 L640 V659 F661 L674 M687	V618-F634 HydrophobicContact CG2-CE2 4.08Å; V618-F634 HydrophobicContact CG2-CZ 3.85Å; L630-F634 WeakPolarHBondContact O-CD2 3.33Å; L630-F634 PolarHBondContact O-N 3.24Å; I631-F634 PolarHBondContact O-N 3.38Å; I631-F634 VanDerWaalsContact O-N 3.12Å; F634-I637 HydrophobicContact CD1-CD1 4.08Å; F634-I637 PolarHBondContact O-N 3.16Å; F634-L640 HydrophobicContact CB-CD1 4.16Å; F634-L640 HydrophobicContact CB-CD2 4.05Å; F634-V659 HydrophobicContact CB-CG1 4.29Å; F634-V659 HydrophobicContact CD1-CG1 4.44Å; F634-V659 HydrophobicContact CD2-CB 4.49Å; F634-V659 HydrophobicContact CD2-CG1 3.9Å; F634-V659 HydrophobicContact CD2-CG2 3.78Å; F634-V659 HydrophobicContact CE2-CG1 4.44Å; F634-V659 HydrophobicContact CE2-CG2 3.65Å; F634-V659 HydrophobicContact CG-CG1 3.94Å; F634-V659 HydrophobicContact CZ-CG2 4.33Å; F634-F661 HydrophobicContact CB-CZ 4.28Å; F634-F661 HydrophobicContact CD1-CZ 4.06Å; F634-F661 HydrophobicContact CG-CZ 4.38Å; F634-L674 HydrophobicContact CD1-CD1 3.53Å; F634-L674 HydrophobicContact CE1-CD1 3.42Å; F634-L674 VanDerWaalsContact CE1-CD1 3.42Å; F634-L674 HydrophobicContact CZ-CD1 4.4Å; F634-M687 HydrophobicContact CE1-CE 3.54Å; F634-M687 HydrophobicContact CE1-SD 3.96Å; F634-M687 HydrophobicContact CZ-CE 3.89Å; F634-M687 HydrophobicContact CZ-SD 3.99Å
635	Q	90.9	Very high	92.7	Very high	114 Å²	114	51.6 Å²	51.6	53%	0.533	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-51.5	-49.6	179.5	178.9	173.5	-12.2	0	0	114.8	I631 I637 G638	I631-Q635 VanDerWaalsContact O-CB 3.28Å; I631-Q635 WeakPolarHBondContact O-CB 3.37Å; I631-Q635 PolarHBondContact O-N 2.91Å; Q635-I637 PolarHBondContact O-N 3.26Å; Q635-I637 VanDerWaalsContact O-N 3.16Å; Q635-G638 PolarHBondContact O-N 2.92Å
636	P	87.8	Confident	92.8	Very high	42 Å²	42	52.4 Å²	52.4	27%	0.273	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-67.7	-13.9	-175.4	21.3	-30.3	0	0	0	115.5	H276 L480	H276-P636 WeakPolarHBondContact NE2-CG 3.35Å; L480-P636 HydrophobicContact CD1-CB 3.69Å; L480-P636 HydrophobicContact CD1-CG 3.85Å; L480-P636 HydrophobicContact CD2-CG 4.01Å
637	I	88.4	Confident	92.8	Very high	19 Å²	19	56.5 Å²	56.5	10%	0.097	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-72.4	-25.1	171.2	-66.9	144.9	0	0	0	110.9	F634 Q635 F661 K666 I669 A670 L674	F634-I637 HydrophobicContact CD1-CD1 4.08Å; F634-I637 PolarHBondContact O-N 3.16Å; Q635-I637 PolarHBondContact O-N 3.26Å; Q635-I637 VanDerWaalsContact O-N 3.16Å; I637-F661 HydrophobicContact CB-CE1 4.45Å; I637-F661 HydrophobicContact CG2-CE1 4.1Å; I637-K666 HydrophobicContact CG2-CD 4.17Å; I637-K666 VanDerWaalsContact O-CD 3.31Å; I637-K666 WeakPolarHBondContact O-CD 3.44Å; I637-K666 WeakPolarHBondContact O-CE 3.31Å; I637-K666 PolarHBondContact O-NZ 3.06Å; I637-I669 HydrophobicContact CG2-CG2 4.19Å; I637-A670 HydrophobicContact CD1-CB 3.72Å; I637-A670 HydrophobicContact CG2-CB 4.21Å; I637-L674 HydrophobicContact CD1-CD1 3.44Å; I637-L674 VanDerWaalsContact CD1-CD1 3.44Å; I637-L674 HydrophobicContact CD1-CG 4.1Å
638	G	89.2	Confident	92.6	Very high	25 Å²	25	56.7 Å²	56.7	26%	0.258	29%	0.286	S	S	.	.			trans	73.8	166.9	-175.4	0	0	0	0	0	113.7	Q635 L640	Q635-G638 PolarHBondContact O-N 2.92Å; G638-L640 VanDerWaalsContact C-N 3.27Å; G638-L640 PolarHBondContact O-N 3.13Å
639	G	90.3	Very high	92.3	Very high	37 Å²	37	55.1 Å²	55.1	38%	0.381	29%	0.292	S	S	.	.			trans	68.1	21.6	179.5	0	0	0	0	0	114.7	V641 F661 D662	G639-V641 PolarHBondContact O-N 2.93Å; G639-F661 CarbonylContact O-C 3.57Å; G639-F661 VanDerWaalsContact O-CA 3.27Å; G639-F661 WeakPolarHBondContact O-CA 3.19Å; G639-D662 PolarHBondContact O-N 3.3Å
640	L	93.4	Very high	91.8	Very high	48 Å²	48	60.1 Å²	60.1	25%	0.251	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	115.5	177.8	-178.5	62.2	0	0	0	110.7	I631 F634 G638 V643 V659 F661	I631-L640 HydrophobicContact CG2-CD2 4.17Å; F634-L640 HydrophobicContact CB-CD1 4.16Å; F634-L640 HydrophobicContact CB-CD2 4.05Å; G638-L640 VanDerWaalsContact C-N 3.27Å; G638-L640 PolarHBondContact O-N 3.13Å; L640-V643 HydrophobicContact CD1-CG2 3.79Å; L640-V643 HydrophobicContact CD2-CG2 3.99Å; L640-V643 HydrophobicContact CG-CG2 4.24Å; L640-V659 HydrophobicContact CD1-CG1 3.57Å; L640-F661 HydrophobicContact CD1-CE1 4.36Å
641	V	94.5	Very high	91.3	Very high	88 Å²	88	65 Å²	65	53%	0.533	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-46.2	-178.7	177	0	0	0	0	111.3	G639 E660 D662	G639-V641 PolarHBondContact O-N 2.93Å; V641-E660 HydrophobicContact CB-CB 4.41Å; V641-E660 HydrophobicContact CB-CG 4.11Å; V641-E660 HydrophobicContact CG1-CG 4.34Å; V641-E660 PolarHBondContact N-O 3.05Å; V641-D662 HydrophobicContact CG2-CB 3.88Å
642	N	94.4	Very high	91	Very high	79 Å²	79	63.7 Å²	63.7	42%	0.422	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	145.4	-173.3	-161.9	-9	0	0	0	112.4	E660	N642-E660 HydrophobicContact CB-CB 4Å; N642-E660 WeakPolarHBondContact CB-OE2 3.47Å; N642-E660 PolarHBondContact N-O 2.75Å; N642-E660 PolarHBondContact O-N 3.06Å
643	V	95.3	Very high	91	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.03	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	100.9	172.3	179.6	0	0	0	0	108.8	Q627 L630 I631 L640 F658 V659	Q627-V643 HydrophobicContact CG-CG1 4.41Å; Q627-V643 PolarHBondContact NE2-O 2.94Å; L630-V643 HydrophobicContact CB-CG1 3.83Å; L630-V643 HydrophobicContact CD1-CG1 4.46Å; I631-V643 HydrophobicContact CG1-CB 3.81Å; I631-V643 HydrophobicContact CG1-CG1 4.36Å; I631-V643 HydrophobicContact CG1-CG2 3.69Å; L640-V643 HydrophobicContact CD1-CG2 3.79Å; L640-V643 HydrophobicContact CD2-CG2 3.99Å; L640-V643 HydrophobicContact CG-CG2 4.24Å; V643-F658 WeakPolarHBondContact CA-O 3.35Å; V643-V659 HydrophobicContact CG2-CG1 4.47Å
644	R	94.8	Very high	91.1	Very high	168 Å²	168	69 Å²	69	63%	0.634	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.4	179.7	-175	-179.3	-176.3	-171.2	3.2	110	P646 A657 F658	R644-P646 WeakPolarHBondContact O-CD 3.39Å; R644-A657 CarbonylContact O-C 3.55Å; R644-A657 VanDerWaalsContact O-CA 3.29Å; R644-A657 WeakPolarHBondContact O-CA 3.14Å; R644-A657 WeakPolarHBondContact O-CB 3.4Å; R644-F658 HydrophobicContact CB-CB 4.4Å; R644-F658 PolarHBondContact N-O 2.98Å; R644-F658 PolarHBondContact O-N 3.38Å
645	L	95	Very high	91.1	Very high	18 Å²	18	69.5 Å²	69.5	9%	0.094	39%	0.386	C	S	.	.			trans	-107.2	95.6	177.1	-177.8	64.1	0	0	0	110.6	I621 Q627 L630 K647 H653 A657	I621-L645 HydrophobicContact CD1-CD1 4.35Å; Q627-L645 HydrophobicContact CB-CB 4.4Å; Q627-L645 HydrophobicContact CB-CD2 4.08Å; Q627-L645 HydrophobicContact CG-CB 4.35Å; L630-L645 HydrophobicContact CD1-CD1 3.84Å; L630-L645 HydrophobicContact CD1-CD2 4.23Å; L630-L645 HydrophobicContact CD1-CG 4.46Å; L645-K647 PolarHBondContact O-N 3.43Å; L645-H653 HydrophobicContact CD1-CB 3.88Å; L645-H653 HydrophobicContact CD2-CB 4.18Å; L645-H653 HydrophobicContact CG-CB 3.79Å; L645-A657 HydrophobicContact CD1-CB 3.96Å
646	P	94.7	Very high	91.3	Very high	23 Å²	23	66.8 Å²	66.8	15%	0.149	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-64.4	124.3	-174.9	-25.6	37.9	0	0	0	113	R644 H653 R654 F656 F658	R644-P646 WeakPolarHBondContact O-CD 3.39Å; P646-H653 WeakPolarHBondContact O-CA 3.39Å; P646-R654 HydrophobicContact CB-CG 4.36Å; P646-R654 WeakPolarHBondContact O-CG 3.45Å; P646-R654 PolarHBondContact O-N 3.37Å; P646-F656 HydrophobicContact CB-CE2 4.5Å; P646-F656 WeakPolarHBondContact CD-O 3.39Å; P646-F656 HydrophobicContact CG-CD2 4.4Å; P646-F656 HydrophobicContact CG-CE2 3.85Å; P646-F656 HydrophobicContact CG-CZ 4.37Å; P646-F658 HydrophobicContact CG-CD2 4.43Å; P646-F658 HydrophobicContact CG-CE2 4.33Å
647	K	92.9	Very high	91.7	Very high	152 Å²	152	64.8 Å²	64.8	66%	0.661	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-81.1	157	177.7	-65	178.4	-177	174.9	0	111.8	L645 G652 R654	L645-K647 PolarHBondContact O-N 3.43Å; K647-G652 WeakPolarHBondContact CA-O 3.5Å; K647-R654 PolarHBondContact O-NE 3.46Å
648	K	89.9	Confident	92	Very high	85 Å²	85	66.8 Å²	66.8	37%	0.37	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-91.2	152.5	167.3	-67.4	174.2	179.7	171.6	0	108.9	T650 S651 G652 H653 R654	K648-T650 PolarHBondContact O-N 2.83Å; K648-S651 WeakPolarHBondContact CB-O 3.5Å; K648-S651 PolarHBondContact O-N 2.91Å; K648-G652 PolarHBondContact N-O 3.15Å; K648-H653 VanDerWaalsContact CE-O 3.23Å; K648-H653 WeakPolarHBondContact CE-O 3.06Å; K648-R654 HydrophobicContact CG-CG 3.92Å
649	P	88	Confident	92.3	Very high	125 Å²	125	65.6 Å²	65.6	81%	0.812	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.9	172.4	26.4	-33.9	0	0	0	111.6	S651	P649-S651 PolarHBondContact O-N 3.06Å; P649-S651 VanDerWaalsContact O-N 3.1Å
650	T	82.7	Confident	92.6	Very high	128 Å²	128	67.1 Å²	67.1	79%	0.785	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	28.2	-178.4	-24.3	0	0	0	0	114	K648	K648-T650 PolarHBondContact O-N 2.83Å
651	S	83.5	Confident	92.7	Very high	103 Å²	103	64.9 Å²	64.9	72%	0.72	34%	0.34	S	S	*	.	S	Bend	trans	66.1	163.8	-169	-162	0	0	0	0	115.6	K648 P649	K648-S651 WeakPolarHBondContact CB-O 3.5Å; K648-S651 PolarHBondContact O-N 2.91Å; P649-S651 PolarHBondContact O-N 3.06Å; P649-S651 VanDerWaalsContact O-N 3.1Å
652	G	87.4	Confident	92.7	Very high	40 Å²	40	65.2 Å²	65.2	41%	0.412	34%	0.339	S	S	.	.	S	Bend	trans	74.1	-179.2	-172.5	0	0	0	0	0	114.4	K647 K648	K647-G652 WeakPolarHBondContact CA-O 3.5Å; K648-G652 PolarHBondContact N-O 3.15Å
653	H	93.3	Very high	92.7	Very high	9 Å²	9	64 Å²	64	4%	0.042	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-105.1	166	177.1	65.1	99.8	0	0	0	112.9	P622 F623 A625 L645 P646 K648 G655	P622-H653 PolarHBondContact O-CE1 3.02Å; P622-H653 VanDerWaalsContact O-CE1 3.24Å; P622-H653 PolarHBondContact O-NE2 3.47Å; F623-H653 VanDerWaalsContact CA-NE2 3.28Å; F623-H653 WeakPolarHBondContact CA-NE2 3.27Å; A625-H653 PolarHBondContact O-NE2 2.85Å; L645-H653 HydrophobicContact CD1-CB 3.88Å; L645-H653 HydrophobicContact CD2-CB 4.18Å; L645-H653 HydrophobicContact CG-CB 3.79Å; P646-H653 WeakPolarHBondContact O-CA 3.39Å; K648-H653 VanDerWaalsContact CE-O 3.23Å; K648-H653 WeakPolarHBondContact CE-O 3.06Å; H653-G655 PolarHBondContact ND1-N 3.29Å; H653-G655 PolarHBondContact O-N 2.84Å
654	R	93.1	Very high	92.6	Very high	142 Å²	142	66.5 Å²	66.5	54%	0.536	35%	0.348	S	S	.	.			trans	-76.6	4.7	-175.8	-65.6	-172.6	-176.9	-151.1	-0.6	114.9	P646 K647 K648 F656	P646-R654 HydrophobicContact CB-CG 4.36Å; P646-R654 WeakPolarHBondContact O-CG 3.45Å; P646-R654 PolarHBondContact O-N 3.37Å; K647-R654 PolarHBondContact O-NE 3.46Å; K648-R654 HydrophobicContact CG-CG 3.92Å; R654-F656 VanDerWaalsContact C-N 3.29Å; R654-F656 HydrophobicContact CB-CD1 3.78Å; R654-F656 HydrophobicContact CB-CE1 3.44Å; R654-F656 VanDerWaalsContact CB-CE1 3.44Å; R654-F656 HydrophobicContact CB-CZ 4.14Å; R654-F656 HydrophobicContact CG-CE1 4.35Å
655	G	93	Very high	92.6	Very high	10 Å²	10	63.2 Å²	63.2	10%	0.103	34%	0.342	C	S	.	.	S	Bend	trans	77.6	9.4	-177.3	0	0	0	0	0	114.9	N620 I621 H653	N620-G655 PolarHBondContact N-O 2.93Å; N620-G655 VanDerWaalsContact N-O 3.14Å; I621-G655 PolarHBondContact N-O 2.77Å; H653-G655 PolarHBondContact ND1-N 3.29Å; H653-G655 PolarHBondContact O-N 2.84Å
656	F	95.3	Very high	92.5	Very high	57 Å²	57	66 Å²	66	25%	0.25	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.3	172.7	67.3	-91.8	0	0	0	111.1	I617 V618 R619 P646 R654 F658	I617-F656 HydrophobicContact CD1-CD2 4.4Å; V618-F656 CarbonylContact O-C 3.55Å; V618-F656 WeakPolarHBondContact O-CA 3.49Å; V618-F656 VanDerWaalsContact O-CB 3.29Å; V618-F656 WeakPolarHBondContact O-CB 3.35Å; R619-F656 HydrophobicContact CG-CB 4.31Å; P646-F656 HydrophobicContact CB-CE2 4.5Å; P646-F656 WeakPolarHBondContact CD-O 3.39Å; P646-F656 HydrophobicContact CG-CD2 4.4Å; P646-F656 HydrophobicContact CG-CE2 3.85Å; P646-F656 HydrophobicContact CG-CZ 4.37Å; R654-F656 VanDerWaalsContact C-N 3.29Å; R654-F656 HydrophobicContact CB-CD1 3.78Å; R654-F656 HydrophobicContact CB-CE1 3.44Å; R654-F656 VanDerWaalsContact CB-CE1 3.44Å; R654-F656 HydrophobicContact CB-CZ 4.14Å; R654-F656 HydrophobicContact CG-CE1 4.35Å; F656-F658 HydrophobicContact CD2-CE2 4.26Å; F656-F658 HydrophobicContact CD2-CZ 4.47Å; F656-F658 AromaticContact CE2-CE2 3.79Å; F656-F658 HydrophobicContact CE2-CE2 3.79Å; F656-F658 HydrophobicContact CE2-CZ 4.07Å
657	A	96.2	Very high	92.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	163.4	174.9	0	0	0	0	0	110.7	V618 I621 L630 R644 L645	V618-A657 PolarHBondContact N-O 3.29Å; V618-A657 PolarHBondContact O-N 3.34Å; I621-A657 HydrophobicContact CD1-CB 3.46Å; I621-A657 VanDerWaalsContact CD1-CB 3.46Å; L630-A657 HydrophobicContact CD1-CB 4.02Å; R644-A657 CarbonylContact O-C 3.55Å; R644-A657 VanDerWaalsContact O-CA 3.29Å; R644-A657 WeakPolarHBondContact O-CA 3.14Å; R644-A657 WeakPolarHBondContact O-CB 3.4Å; L645-A657 HydrophobicContact CD1-CB 3.96Å
658	F	95.8	Very high	92.5	Very high	61 Å²	61	61.2 Å²	61.2	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136	165.7	-59.5	-82.4	0	0	0	109.1	I615 L616 I617 V643 R644 P646 F656 A690	I615-F658 HydrophobicContact CG2-CB 4.06Å; I615-F658 HydrophobicContact CG2-CD1 4.2Å; L616-F658 WeakPolarHBondContact O-CA 3.32Å; I617-F658 HydrophobicContact CB-CD1 4.15Å; I617-F658 HydrophobicContact CB-CE1 4.15Å; I617-F658 HydrophobicContact CD1-CE1 3.87Å; I617-F658 HydrophobicContact CD1-CZ 4.26Å; I617-F658 HydrophobicContact CG1-CD1 4.25Å; I617-F658 HydrophobicContact CG1-CE1 4.01Å; V643-F658 WeakPolarHBondContact CA-O 3.35Å; R644-F658 HydrophobicContact CB-CB 4.4Å; R644-F658 PolarHBondContact N-O 2.98Å; R644-F658 PolarHBondContact O-N 3.38Å; P646-F658 HydrophobicContact CG-CD2 4.43Å; P646-F658 HydrophobicContact CG-CE2 4.33Å; F656-F658 HydrophobicContact CD2-CE2 4.26Å; F656-F658 HydrophobicContact CD2-CZ 4.47Å; F656-F658 AromaticContact CE2-CE2 3.79Å; F656-F658 HydrophobicContact CE2-CE2 3.79Å; F656-F658 HydrophobicContact CE2-CZ 4.07Å; F658-A690 HydrophobicContact CD1-CB 4.18Å; F658-A690 HydrophobicContact CE1-CB 4.32Å
659	V	95.5	Very high	92.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.7	-179.2	-177.1	0	0	0	0	107.4	I615 L616 V618 F634 L640 V643 F661	I615-V659 CarbonylContact C-O 3.52Å; I615-V659 WeakPolarHBondContact CA-O 3.25Å; L616-V659 PolarHBondContact N-O 3.38Å; L616-V659 PolarHBondContact O-N 3.18Å; V618-V659 HydrophobicContact CG2-CG2 3.69Å; F634-V659 HydrophobicContact CB-CG1 4.29Å; F634-V659 HydrophobicContact CD1-CG1 4.44Å; F634-V659 HydrophobicContact CD2-CB 4.49Å; F634-V659 HydrophobicContact CD2-CG1 3.9Å; F634-V659 HydrophobicContact CD2-CG2 3.78Å; F634-V659 HydrophobicContact CE2-CG1 4.44Å; F634-V659 HydrophobicContact CE2-CG2 3.65Å; F634-V659 HydrophobicContact CG-CG1 3.94Å; F634-V659 HydrophobicContact CZ-CG2 4.33Å; L640-V659 HydrophobicContact CD1-CG1 3.57Å; V643-V659 HydrophobicContact CG2-CG1 4.47Å; V659-F661 HydrophobicContact CB-CE2 4.34Å; V659-F661 HydrophobicContact CG1-CD2 4.21Å; V659-F661 HydrophobicContact CG1-CE2 3.47Å; V659-F661 VanDerWaalsContact CG1-CE2 3.47Å; V659-F661 HydrophobicContact CG1-CZ 3.76Å
660	E	95.5	Very high	92.8	Very high	69 Å²	69	54.7 Å²	54.7	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.1	-175.2	-176	170.7	-156.9	0	0	109.5	I615 V641 N642	I615-E660 HydrophobicContact CG1-CB 4.21Å; I615-E660 HydrophobicContact CG1-CG 4Å; V641-E660 HydrophobicContact CB-CB 4.41Å; V641-E660 HydrophobicContact CB-CG 4.11Å; V641-E660 HydrophobicContact CG1-CG 4.34Å; V641-E660 PolarHBondContact N-O 3.05Å; N642-E660 HydrophobicContact CB-CB 4Å; N642-E660 WeakPolarHBondContact CB-OE2 3.47Å; N642-E660 PolarHBondContact N-O 2.75Å; N642-E660 PolarHBondContact O-N 3.06Å
661	F	95.6	Very high	93.2	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	151.7	174.7	-66.9	-89.1	0	0	0	111.1	K614 L616 F634 I637 G639 L640 V659 K666 A667 A670	K614-F661 WeakPolarHBondContact CB-O 3.41Å; K614-F661 PolarHBondContact O-N 2.91Å; L616-F661 HydrophobicContact CD1-CD2 4.49Å; L616-F661 HydrophobicContact CD1-CE2 3.91Å; L616-F661 HydrophobicContact CG-CE2 4.31Å; F634-F661 HydrophobicContact CB-CZ 4.28Å; F634-F661 HydrophobicContact CD1-CZ 4.06Å; F634-F661 HydrophobicContact CG-CZ 4.38Å; I637-F661 HydrophobicContact CB-CE1 4.45Å; I637-F661 HydrophobicContact CG2-CE1 4.1Å; G639-F661 CarbonylContact O-C 3.57Å; G639-F661 VanDerWaalsContact O-CA 3.27Å; G639-F661 WeakPolarHBondContact O-CA 3.19Å; L640-F661 HydrophobicContact CD1-CE1 4.36Å; V659-F661 HydrophobicContact CB-CE2 4.34Å; V659-F661 HydrophobicContact CG1-CD2 4.21Å; V659-F661 HydrophobicContact CG1-CE2 3.47Å; V659-F661 VanDerWaalsContact CG1-CE2 3.47Å; V659-F661 HydrophobicContact CG1-CZ 3.76Å; F661-K666 HydrophobicContact CB-CB 4.19Å; F661-K666 HydrophobicContact CD1-CB 4.04Å; F661-K666 HydrophobicContact CG-CB 4.36Å; F661-A667 HydrophobicContact CB-CB 4.13Å; F661-A667 HydrophobicContact CD2-CB 3.79Å; F661-A667 HydrophobicContact CG-CB 4.22Å; F661-A670 HydrophobicContact CE1-CB 4.14Å; F661-A670 HydrophobicContact CE2-CB 3.69Å; F661-A670 HydrophobicContact CZ-CB 3.42Å; F661-A670 VanDerWaalsContact CZ-CB 3.42Å
662	D	94.6	Very high	93.4	Very high	95 Å²	95	50.9 Å²	50.9	51%	0.508	26%	0.255	S	S	.	.	S	Bend	trans	-64.7	-41.5	178.5	179.4	35.6	0	0	0	111.8	K614 G639 V641	K614-D662 WeakPolarHBondContact CD-O 3.2Å; K614-D662 WeakPolarHBondContact CE-O 3.17Å; K614-D662 PolarHBondContact NZ-O 2.92Å; G639-D662 PolarHBondContact O-N 3.3Å; V641-D662 HydrophobicContact CG2-CB 3.88Å
663	T	94.7	Very high	93.4	Very high	54 Å²	54	52 Å²	52	33%	0.331	25%	0.254	S	S	.	.	S	Bend	trans	-114.6	152.5	176.3	72	0	0	0	0	112.4	D665 K666 A667	T663-D665 PolarHBondContact O-N 3.02Å; T663-K666 PolarHBondContact O-N 3.3Å; T663-K666 WeakPolarHBondContact OG1-CB 3.05Å; T663-K666 WeakPolarHBondContact OG1-CG 3.49Å; T663-K666 PolarHBondContact OG1-N 3.16Å; T663-K666 VanDerWaalsContact OG1-N 3.11Å; T663-A667 PolarHBondContact O-N 2.78Å
664	L	93.7	Very high	93.2	Very high	57 Å²	57	51.7 Å²	51.7	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-33.6	174.3	-173.1	152.5	0	0	0	110.6	K612 A667 K668	K612-L664 HydrophobicContact CB-CD1 3.95Å; K612-L664 HydrophobicContact CB-CD2 4.33Å; K612-L664 HydrophobicContact CB-CG 4.43Å; K612-L664 HydrophobicContact CD-CD2 4.26Å; L664-A667 CarbonylContact O-C 3.55Å; L664-A667 WeakPolarHBondContact O-CB 3.19Å; L664-A667 PolarHBondContact O-N 3.39Å; L664-K668 WeakPolarHBondContact O-CB 3.41Å; L664-K668 PolarHBondContact O-N 3.09Å
665	D	94.3	Very high	92.4	Very high	98 Å²	98	45.4 Å²	45.4	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-72	-35.6	-178.9	-51.3	-71.8	0	0	0	112.2	T663 K668 I669	T663-D665 PolarHBondContact O-N 3.02Å; D665-K668 WeakPolarHBondContact O-CB 3.34Å; D665-K668 PolarHBondContact O-N 2.82Å; D665-I669 WeakPolarHBondContact O-CB 3.13Å; D665-I669 WeakPolarHBondContact O-CD1 3.27Å; D665-I669 VanDerWaalsContact O-CG1 3.24Å; D665-I669 WeakPolarHBondContact O-CG1 3.43Å; D665-I669 PolarHBondContact O-N 3.25Å
666	K	93.7	Very high	91.5	Very high	77 Å²	77	47.2 Å²	47.2	34%	0.335	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-39.8	168.4	-73.3	-68.1	-172.4	178.1	0	111.9	I637 F661 T663 K668 I669 A670	I637-K666 HydrophobicContact CG2-CD 4.17Å; I637-K666 VanDerWaalsContact O-CD 3.31Å; I637-K666 WeakPolarHBondContact O-CD 3.44Å; I637-K666 WeakPolarHBondContact O-CE 3.31Å; I637-K666 PolarHBondContact O-NZ 3.06Å; F661-K666 HydrophobicContact CB-CB 4.19Å; F661-K666 HydrophobicContact CD1-CB 4.04Å; F661-K666 HydrophobicContact CG-CB 4.36Å; T663-K666 PolarHBondContact O-N 3.3Å; T663-K666 WeakPolarHBondContact OG1-CB 3.05Å; T663-K666 WeakPolarHBondContact OG1-CG 3.49Å; T663-K666 PolarHBondContact OG1-N 3.16Å; T663-K666 VanDerWaalsContact OG1-N 3.11Å; K666-K668 VanDerWaalsContact C-N 3.34Å; K666-K668 PolarHBondContact O-N 3.4Å; K666-I669 PolarHBondContact O-N 2.94Å; K666-A670 WeakPolarHBondContact O-CB 3.42Å; K666-A670 PolarHBondContact O-N 3.39Å
667	A	93.2	Very high	90.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-37.5	171.6	0	0	0	0	0	112.7	L616 F661 T663 L664 L671	L616-A667 WeakPolarHBondContact CD1-O 3.27Å; L616-A667 HydrophobicContact CD2-CB 4.14Å; L616-A667 HydrophobicContact CG-CB 4.22Å; F661-A667 HydrophobicContact CB-CB 4.13Å; F661-A667 HydrophobicContact CD2-CB 3.79Å; F661-A667 HydrophobicContact CG-CB 4.22Å; T663-A667 PolarHBondContact O-N 2.78Å; L664-A667 CarbonylContact O-C 3.55Å; L664-A667 WeakPolarHBondContact O-CB 3.19Å; L664-A667 PolarHBondContact O-N 3.39Å; A667-L671 WeakPolarHBondContact O-CB 3.49Å; A667-L671 PolarHBondContact O-N 3.02Å; A667-L671 VanDerWaalsContact O-N 3.07Å
668	K	93.2	Very high	90	Very high	75 Å²	75	44.9 Å²	44.9	33%	0.326	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-48.8	174.5	-178.1	-158.1	164.7	-146.8	0	111.2	L664 D665 K666 A670 L671 E672	L664-K668 WeakPolarHBondContact O-CB 3.41Å; L664-K668 PolarHBondContact O-N 3.09Å; D665-K668 WeakPolarHBondContact O-CB 3.34Å; D665-K668 PolarHBondContact O-N 2.82Å; K666-K668 VanDerWaalsContact C-N 3.34Å; K666-K668 PolarHBondContact O-N 3.4Å; K668-A670 VanDerWaalsContact C-N 3.32Å; K668-A670 PolarHBondContact O-N 3.37Å; K668-L671 WeakPolarHBondContact O-CB 3.35Å; K668-L671 PolarHBondContact O-N 3.12Å; K668-L671 VanDerWaalsContact O-N 3.16Å; K668-E672 VanDerWaalsContact CE-CD 3.45Å; K668-E672 WeakPolarHBondContact CE-OE1 3.47Å; K668-E672 VanDerWaalsContact CE-OE2 3.27Å; K668-E672 WeakPolarHBondContact CE-OE2 3.37Å; K668-E672 IonicContact NZ-OE1 3.11Å; K668-E672 IonicContact NZ-OE2 2.69Å; K668-E672 WeakPolarHBondContact O-CG 3.25Å; K668-E672 PolarHBondContact O-N 3.06Å
669	I	92.2	Very high	89.7	Confident	73 Å²	73	43.3 Å²	43.3	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-42.5	177.4	-68.6	161.2	0	0	0	110.8	I637 D665 K666 L671 E672 T673	I637-I669 HydrophobicContact CG2-CG2 4.19Å; D665-I669 WeakPolarHBondContact O-CB 3.13Å; D665-I669 WeakPolarHBondContact O-CD1 3.27Å; D665-I669 VanDerWaalsContact O-CG1 3.24Å; D665-I669 WeakPolarHBondContact O-CG1 3.43Å; D665-I669 PolarHBondContact O-N 3.25Å; K666-I669 PolarHBondContact O-N 2.94Å; I669-L671 VanDerWaalsContact C-N 3.33Å; I669-L671 PolarHBondContact O-N 2.78Å; I669-E672 PolarHBondContact O-N 3.27Å; I669-T673 VanDerWaalsContact O-CB 3.26Å; I669-T673 WeakPolarHBondContact O-CB 3.46Å; I669-T673 PolarHBondContact O-N 3.09Å; I669-T673 PolarHBondContact O-OG1 2.73Å
670	A	92.4	Very high	89.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-42.6	175	0	0	0	0	0	112.6	L616 I637 F661 K666 K668 L674	L616-A670 HydrophobicContact CD1-CB 3.96Å; I637-A670 HydrophobicContact CD1-CB 3.72Å; I637-A670 HydrophobicContact CG2-CB 4.21Å; F661-A670 HydrophobicContact CE1-CB 4.14Å; F661-A670 HydrophobicContact CE2-CB 3.69Å; F661-A670 HydrophobicContact CZ-CB 3.42Å; F661-A670 VanDerWaalsContact CZ-CB 3.42Å; K666-A670 WeakPolarHBondContact O-CB 3.42Å; K666-A670 PolarHBondContact O-N 3.39Å; K668-A670 VanDerWaalsContact C-N 3.32Å; K668-A670 PolarHBondContact O-N 3.37Å; A670-L674 WeakPolarHBondContact O-CB 3.4Å; A670-L674 PolarHBondContact O-N 3.48Å
671	L	91	Very high	89.3	Confident	35 Å²	35	43.8 Å²	43.8	18%	0.183	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-42.5	178.1	-177.3	64.3	0	0	0	112.3	L616 A667 K668 I669 G675 M687 Y689	L616-L671 HydrophobicContact CD1-CB 4.32Å; A667-L671 WeakPolarHBondContact O-CB 3.49Å; A667-L671 PolarHBondContact O-N 3.02Å; A667-L671 VanDerWaalsContact O-N 3.07Å; K668-L671 WeakPolarHBondContact O-CB 3.35Å; K668-L671 PolarHBondContact O-N 3.12Å; K668-L671 VanDerWaalsContact O-N 3.16Å; I669-L671 VanDerWaalsContact C-N 3.33Å; I669-L671 PolarHBondContact O-N 2.78Å; L671-G675 VanDerWaalsContact O-CA 3.29Å; L671-G675 WeakPolarHBondContact O-CA 3.18Å; L671-G675 PolarHBondContact O-N 3.46Å; L671-M687 HydrophobicContact CD1-CB 3.56Å; L671-M687 VanDerWaalsContact CD1-O 3.31Å; L671-M687 WeakPolarHBondContact CD1-O 3.37Å; L671-Y689 HydrophobicContact CD2-CD2 4.02Å; L671-Y689 HydrophobicContact CD2-CE1 4.41Å; L671-Y689 HydrophobicContact CD2-CE2 3.4Å; L671-Y689 VanDerWaalsContact CD2-CE2 3.4Å
672	E	88.4	Confident	88.9	Confident	115 Å²	115	46.7 Å²	46.7	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-70.8	-37.3	-179.9	-72.6	175	168.4	0	0	112.2	K668 I669	K668-E672 VanDerWaalsContact CE-CD 3.45Å; K668-E672 WeakPolarHBondContact CE-OE1 3.47Å; K668-E672 VanDerWaalsContact CE-OE2 3.27Å; K668-E672 WeakPolarHBondContact CE-OE2 3.37Å; K668-E672 IonicContact NZ-OE1 3.11Å; K668-E672 IonicContact NZ-OE2 2.69Å; K668-E672 WeakPolarHBondContact O-CG 3.25Å; K668-E672 PolarHBondContact O-N 3.06Å; I669-E672 PolarHBondContact O-N 3.27Å
673	T	87.6	Confident	88.6	Confident	63 Å²	63	46.3 Å²	46.3	39%	0.387	25%	0.251	S	S	.	.	H	α-helix	trans	-77.8	-58.6	179.7	-53.3	0	0	0	0	112	T279 I669	T279-T673 HydrophobicContact CG2-CG2 4.2Å; T279-T673 VanDerWaalsContact CG2-O 3.26Å; T279-T673 WeakPolarHBondContact CG2-O 3.47Å; I669-T673 VanDerWaalsContact O-CB 3.26Å; I669-T673 WeakPolarHBondContact O-CB 3.46Å; I669-T673 PolarHBondContact O-N 3.09Å; I669-T673 PolarHBondContact O-OG1 2.73Å
674	L	88.4	Confident	88.3	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-92.5	-31.8	-170.3	-63.4	174.2	0	0	0	113.1	T279 L633 F634 I637 A670 V676 T678 M687	T279-L674 HydrophobicContact CG2-CD2 4.22Å; L633-L674 HydrophobicContact CD1-CD2 4.5Å; L633-L674 HydrophobicContact CG-CD1 4.37Å; L633-L674 WeakPolarHBondContact O-CD1 3.28Å; F634-L674 HydrophobicContact CD1-CD1 3.53Å; F634-L674 HydrophobicContact CE1-CD1 3.42Å; F634-L674 VanDerWaalsContact CE1-CD1 3.42Å; F634-L674 HydrophobicContact CZ-CD1 4.4Å; I637-L674 HydrophobicContact CD1-CD1 3.44Å; I637-L674 VanDerWaalsContact CD1-CD1 3.44Å; I637-L674 HydrophobicContact CD1-CG 4.1Å; A670-L674 WeakPolarHBondContact O-CB 3.4Å; A670-L674 PolarHBondContact O-N 3.48Å; L674-V676 VanDerWaalsContact C-N 3.28Å; L674-V676 PolarHBondContact O-N 2.92Å; L674-T678 HydrophobicContact CB-CG2 3.78Å; L674-T678 HydrophobicContact CD2-CG2 3.5Å; L674-T678 HydrophobicContact CG-CG2 4.21Å; L674-T678 WeakPolarHBondContact O-CB 3.47Å; L674-T678 WeakPolarHBondContact O-CG2 3.35Å; L674-T678 PolarHBondContact O-N 2.91Å; L674-T678 PolarHBondContact O-OG1 2.71Å; L674-M687 HydrophobicContact CB-SD 3.99Å
675	G	76.5	Confident	88.2	Confident	11 Å²	11	44.4 Å²	44.4	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.1	-167.5	0	0	0	0	0	115.6	L671	L671-G675 VanDerWaalsContact O-CA 3.29Å; L671-G675 WeakPolarHBondContact O-CA 3.18Å; L671-G675 PolarHBondContact O-N 3.46Å
676	V	73.9	Confident	88	Confident	48 Å²	48	43.1 Å²	43.1	29%	0.291	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-37.6	-175	-168.3	0	0	0	0	112.6	L674 R684	L674-V676 VanDerWaalsContact C-N 3.28Å; L674-V676 PolarHBondContact O-N 2.92Å; V676-R684 PolarHBondContact O-NE 3.15Å; V676-R684 PolarHBondContact O-NH2 2.94Å
677	S	73	Confident	87.9	Confident	8 Å²	8	40.3 Å²	40.3	6%	0.056	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.5	7.4	-165.9	-63.4	0	0	0	0	117.3	H679	S677-H679 PolarHBondContact O-CE1 2.77Å; S677-H679 PolarHBondContact O-N 3.25Å; S677-H679 PolarHBondContact O-ND1 3.31Å; S677-H679 VanDerWaalsContact O-ND1 3.1Å
678	T	87.3	Confident	87.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.			trans	-64.3	132.1	174.2	43.2	0	0	0	0	113.2	T279 L674 R684 L685	T279-T678 WeakPolarHBondContact OG1-CG2 3.46Å; L674-T678 HydrophobicContact CB-CG2 3.78Å; L674-T678 HydrophobicContact CD2-CG2 3.5Å; L674-T678 HydrophobicContact CG-CG2 4.21Å; L674-T678 WeakPolarHBondContact O-CB 3.47Å; L674-T678 WeakPolarHBondContact O-CG2 3.35Å; L674-T678 PolarHBondContact O-N 2.91Å; L674-T678 PolarHBondContact O-OG1 2.71Å; T678-R684 CarbonylContact O-C 3.5Å; T678-R684 VanDerWaalsContact O-CA 3.3Å; T678-R684 WeakPolarHBondContact O-CA 3.31Å; T678-L685 PolarHBondContact O-N 3.19Å
679	H	90.4	Very high	87.8	Confident	28 Å²	28	41 Å²	41	13%	0.13	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.1	162.8	-56.7	72.7	0	0	0	111.3	F240 E278 S677 R683 R684	F240-H679 AromaticContact CD2-CD2 3.98Å; F240-H679 AromaticContact CD2-CE1 3.49Å; F240-H679 VanDerWaalsContact CD2-CE1 3.49Å; F240-H679 WeakPolarHBondContact CD2-CE1 3.31Å; F240-H679 AromaticContact CD2-ND1 3.88Å; F240-H679 AromaticContact CD2-NE2 3.55Å; F240-H679 AromaticContact CE2-CD2 3.88Å; F240-H679 AromaticContact CE2-NE2 3.94Å; E278-H679 IonicContact OE1-CE1 2.58Å; E278-H679 PolarHBondContact OE1-CE1 2.94Å; E278-H679 IonicContact OE1-CG 3.13Å; E278-H679 IonicContact OE1-ND1 2.65Å; E278-H679 PolarHBondContact OE1-ND1 3.43Å; E278-H679 VanDerWaalsContact OE2-CB 3.3Å; E278-H679 WeakPolarHBondContact OE2-CB 3.48Å; E278-H679 IonicContact OE2-CG 2.8Å; E278-H679 PolarHBondContact OE2-N 3.16Å; E278-H679 IonicContact OE2-ND1 3.86Å; E278-H679 PolarHBondContact OE2-ND1 2.71Å; S677-H679 PolarHBondContact O-CE1 2.77Å; S677-H679 PolarHBondContact O-N 3.25Å; S677-H679 PolarHBondContact O-ND1 3.31Å; S677-H679 VanDerWaalsContact O-ND1 3.1Å; H679-R683 CarbonylContact C-O 3.54Å; H679-R683 VanDerWaalsContact CA-O 3.27Å; H679-R683 WeakPolarHBondContact CA-O 3.41Å; H679-R684 VanDerWaalsContact CD2-CA 3.45Å; H679-R684 WeakPolarHBondContact CD2-CA 3.47Å; H679-R684 PolarHBondContact CD2-N 3.22Å; H679-R684 VanDerWaalsContact CD2-N 3.27Å; H679-R684 WeakPolarHBondContact NE2-CB 3.46Å
680	L	91.5	Very high	87.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.4	170.8	-170.3	65.3	0	0	0	108.9	A271 V272 A275 P622 A625 L630 G682 R683 L685	A271-L680 HydrophobicContact CB-CD1 4.17Å; V272-L680 HydrophobicContact CG2-CD1 4.36Å; A275-L680 HydrophobicContact CB-CD1 4.48Å; P622-L680 HydrophobicContact CG-CB 4.36Å; P622-L680 HydrophobicContact CG-CD2 4.39Å; P622-L680 HydrophobicContact CG-CG 4.27Å; P622-L680 WeakPolarHBondContact CG-O 3.43Å; A625-L680 HydrophobicContact CB-CD2 3.75Å; L630-L680 HydrophobicContact CD2-CD2 4.07Å; L680-G682 PolarHBondContact O-N 3.42Å; L680-R683 PolarHBondContact N-O 2.82Å; L680-R683 PolarHBondContact O-N 2.85Å; L680-L685 HydrophobicContact CB-CD1 4.25Å; L680-L685 HydrophobicContact CB-CD2 4.07Å; L680-L685 HydrophobicContact CB-CG 4.23Å
681	L	90.5	Very high	87.3	Confident	78 Å²	78	44.9 Å²	44.9	41%	0.408	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	39.6	-177.5	-58.6	169	0	0	0	113.4	A271 P622 Q624 A625	A271-L681 HydrophobicContact CB-CD2 3.45Å; A271-L681 VanDerWaalsContact CB-CD2 3.45Å; A271-L681 HydrophobicContact CB-CG 3.98Å; P622-L681 HydrophobicContact CB-CB 4.16Å; P622-L681 HydrophobicContact CG-CB 3.96Å; P622-L681 HydrophobicContact CG-CD1 4.11Å; P622-L681 HydrophobicContact CG-CG 4.41Å; Q624-L681 HydrophobicContact CB-CD1 3.71Å; A625-L681 HydrophobicContact CB-CD1 4.2Å
682	G	86.3	Confident	86	Confident	62 Å²	62	52 Å²	52	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	11.5	179.1	0	0	0	0	0	116.2	L680	L680-G682 PolarHBondContact O-N 3.42Å
683	R	88.6	Confident	85.9	Confident	88 Å²	88	48.8 Å²	48.8	33%	0.332	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.2	171.6	-68.1	-170.9	-178.3	82.4	-3.6	111.3	P622 H679 L680 L685	P622-R683 HydrophobicContact CB-CB 4.5Å; P622-R683 HydrophobicContact CB-CG 4.37Å; H679-R683 CarbonylContact C-O 3.54Å; H679-R683 VanDerWaalsContact CA-O 3.27Å; H679-R683 WeakPolarHBondContact CA-O 3.41Å; L680-R683 PolarHBondContact N-O 2.82Å; L680-R683 PolarHBondContact O-N 2.85Å; R683-L685 PolarHBondContact O-N 2.89Å
684	R	88.2	Confident	85.8	Confident	71 Å²	71	48.1 Å²	48.1	27%	0.268	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	124.8	174.6	-168.6	-176.6	173.8	-146.8	-0.6	109.5	N620 V676 T678 H679	N620-R684 PolarHBondContact ND2-O 2.7Å; V676-R684 PolarHBondContact O-NE 3.15Å; V676-R684 PolarHBondContact O-NH2 2.94Å; T678-R684 CarbonylContact O-C 3.5Å; T678-R684 VanDerWaalsContact O-CA 3.3Å; T678-R684 WeakPolarHBondContact O-CA 3.31Å; H679-R684 VanDerWaalsContact CD2-CA 3.45Å; H679-R684 WeakPolarHBondContact CD2-CA 3.47Å; H679-R684 PolarHBondContact CD2-N 3.22Å; H679-R684 VanDerWaalsContact CD2-N 3.27Å; H679-R684 WeakPolarHBondContact NE2-CB 3.46Å
685	L	91.4	Very high	85.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.			trans	-73.6	140.1	170.7	-58.8	-178.2	0	0	0	109.3	V618 I621 L633 T678 L680 R683	V618-L685 HydrophobicContact CG1-CB 4.2Å; V618-L685 HydrophobicContact CG1-CD1 4.31Å; V618-L685 HydrophobicContact CG1-CD2 4.31Å; I621-L685 HydrophobicContact CG1-CD2 4.2Å; L633-L685 HydrophobicContact CD2-CD1 3.46Å; L633-L685 VanDerWaalsContact CD2-CD1 3.46Å; T678-L685 PolarHBondContact O-N 3.19Å; L680-L685 HydrophobicContact CB-CD1 4.25Å; L680-L685 HydrophobicContact CB-CD2 4.07Å; L680-L685 HydrophobicContact CB-CG 4.23Å; R683-L685 PolarHBondContact O-N 2.89Å
686	L	90.2	Very high	86.2	Confident	71 Å²	71	52.9 Å²	52.9	37%	0.372	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117	175.2	-64.3	176.8	0	0	0	107.9	V618 R619 N620	V618-L686 CarbonylContact C-O 3.54Å; V618-L686 WeakPolarHBondContact CA-O 3.33Å; R619-L686 HydrophobicContact CB-CB 4.24Å; R619-L686 PolarHBondContact N-O 2.98Å; R619-L686 PolarHBondContact O-N 2.82Å; N620-L686 HydrophobicContact CB-CD1 4.2Å; N620-L686 HydrophobicContact CB-CG 4.25Å
687	M	91.1	Very high	87	Confident	17 Å²	17	53.2 Å²	53.2	8%	0.084	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.8	-174	-65.2	-177.4	57.4	0	0	110.8	L616 V618 F634 L671 L674	L616-M687 HydrophobicContact CD1-CE 3.44Å; L616-M687 VanDerWaalsContact CD1-CE 3.44Å; V618-M687 HydrophobicContact CG1-CG 4.23Å; V618-M687 HydrophobicContact CG2-CE 4.47Å; V618-M687 HydrophobicContact CG2-CG 4.17Å; F634-M687 HydrophobicContact CE1-CE 3.54Å; F634-M687 HydrophobicContact CE1-SD 3.96Å; F634-M687 HydrophobicContact CZ-CE 3.89Å; F634-M687 HydrophobicContact CZ-SD 3.99Å; L671-M687 HydrophobicContact CD1-CB 3.56Å; L671-M687 VanDerWaalsContact CD1-O 3.31Å; L671-M687 WeakPolarHBondContact CD1-O 3.37Å; L674-M687 HydrophobicContact CB-SD 3.99Å
688	E	91.3	Very high	87.9	Confident	60 Å²	60	56.2 Å²	56.2	28%	0.28	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.7	176.1	-74.7	166.5	-137.4	0	0	109.5	L616 I617 R619 A690	L616-E688 CarbonylContact C-O 3.56Å; L616-E688 VanDerWaalsContact CA-O 3.32Å; L616-E688 WeakPolarHBondContact CA-O 3.12Å; I617-E688 HydrophobicContact CG2-CB 3.89Å; I617-E688 PolarHBondContact N-O 3.12Å; I617-E688 PolarHBondContact O-N 2.8Å; I617-E688 VanDerWaalsContact O-N 3.08Å; R619-E688 IonicContact CZ-OE1 2.9Å; R619-E688 IonicContact CZ-OE2 2.86Å; R619-E688 IonicContact NH1-OE1 3.46Å; R619-E688 PolarHBondContact NH1-OE1 3.33Å; R619-E688 IonicContact NH1-OE2 3.5Å; R619-E688 PolarHBondContact NH1-OE2 2.87Å; R619-E688 IonicContact NH2-OE1 3.1Å; R619-E688 IonicContact NH2-OE2 2.69Å; R619-E688 PolarHBondContact NH2-OE2 3.27Å; E688-A690 PolarHBondContact O-N 3Å
689	Y	93.1	Very high	88	Confident	30 Å²	30	60.2 Å²	60.2	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	130.3	162.5	-65.4	-74.1	0	0	0	109.4	K612 N613 L616 L671 Q691	K612-Y689 HydrophobicContact CB-CE1 4.29Å; K612-Y689 HydrophobicContact CG-CE2 4.13Å; N613-Y689 VanDerWaalsContact O-CD1 3.3Å; N613-Y689 WeakPolarHBondContact O-CD1 3.31Å; L616-Y689 HydrophobicContact CD2-CD1 3.6Å; L616-Y689 HydrophobicContact CD2-CE1 3.86Å; L616-Y689 HydrophobicContact CD2-CG 4.32Å; L671-Y689 HydrophobicContact CD2-CD2 4.02Å; L671-Y689 HydrophobicContact CD2-CE1 4.41Å; L671-Y689 HydrophobicContact CD2-CE2 3.4Å; L671-Y689 VanDerWaalsContact CD2-CE2 3.4Å; Y689-Q691 PolarHBondContact O-N 2.83Å
690	A	89.6	Confident	87.8	Confident	9 Å²	9	62.7 Å²	62.7	7%	0.074	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.6	132.9	175.8	0	0	0	0	0	109.7	N613 I615 I617 F658 E688	N613-A690 PolarHBondContact ND2-O 2.76Å; I615-A690 HydrophobicContact CB-CB 4.14Å; I615-A690 HydrophobicContact CG2-CB 3.82Å; I615-A690 WeakPolarHBondContact O-CB 3.42Å; I615-A690 PolarHBondContact O-N 3.03Å; I617-A690 HydrophobicContact CB-CB 4.2Å; I617-A690 HydrophobicContact CG2-CB 4.45Å; F658-A690 HydrophobicContact CD1-CB 4.18Å; F658-A690 HydrophobicContact CE1-CB 4.32Å; E688-A690 PolarHBondContact O-N 3Å
691	Q	84.9	Confident	87.5	Confident	146 Å²	146	67.9 Å²	67.9	68%	0.682	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-74.8	140.3	170.9	-63.2	179.5	29.4	0	0	109.4	L610 Y689	L610-Q691 HydrophobicContact CD2-CG 4.09Å; L610-Q691 VanDerWaalsContact CD2-NE2 3.32Å; Y689-Q691 PolarHBondContact O-N 2.83Å
692	T	64.4	Low	87.2	Confident	183 Å²	183	67 Å²	67	100%	1.123	36%	0.361	S	S	*	.			trans	-82.3	0	177.8	-46.3	0	0	0	0	110.9	N613	N613-T692 PolarHBondContact ND2-OG1 3.08Å

Retrieved 692 of 692 residues in 391.1 ms (Link to these results)

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