A0A5K4FAK5_SCHMA Loading...

Oxidation resistance protein 1

AlphaFold DB , UniProt , Accession A0A5K4FAK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 697 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.2	Very low	63.8	Low	179 Å²	179	94.3 Å²	94.3	88%	0.882	54%	0.544	S	S	*	.				0	114.3	0	-68.8	165.3	172.1	0	0	107.4
2	E	38.1	Very low	66.1	Low	168 Å²	168	86.8 Å²	86.8	79%	0.785	50%	0.5	S	S	*	.			trans	-88.4	133.4	160.6	-66.1	171.8	125.2	0	0	106.5
3	A	38.7	Very low	67.7	Low	106 Å²	106	87.7 Å²	87.7	88%	0.876	50%	0.495	S	S	*	.			trans	-106	92.9	-167.3	0	0	0	0	0	112.1
4	S	42.3	Very low	68.9	Low	59 Å²	59	89.8 Å²	89.8	41%	0.413	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-93.9	122.9	160.8	45.3	0	0	0	0	109.1	E6 F7	S4-E6 PolarHBondContact O-N 2.64Å; S4-F7 PolarHBondContact O-N 2.82Å; S4-F7 VanDerWaalsContact O-O 3.13Å; S4-F7 VanDerWaalsContact OG-CE2 3.29Å; S4-F7 WeakPolarHBondContact OG-CE2 3.31Å; S4-F7 VanDerWaalsContact OG-CZ 3.31Å; S4-F7 WeakPolarHBondContact OG-CZ 3.29Å
5	G	50.1	Low	69.9	Low	91 Å²	91	89 Å²	89	94%	0.938	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	17.8	-155.2	0	0	0	0	0	120.2
6	E	63.1	Low	71.1	Confident	145 Å²	145	85.5 Å²	85.5	68%	0.678	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-25.4	179.2	-64.6	179.3	145.4	0	0	112.8	S4 T59	S4-E6 PolarHBondContact O-N 2.64Å; E6-T59 PolarHBondContact O-N 3.32Å
7	F	74.1	Confident	72.2	Confident	83 Å²	83	83.5 Å²	83.5	36%	0.364	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.5	-175.7	54.7	-90.8	0	0	0	112	S4 V9 I56	S4-F7 PolarHBondContact O-N 2.82Å; S4-F7 VanDerWaalsContact O-O 3.13Å; S4-F7 VanDerWaalsContact OG-CE2 3.29Å; S4-F7 WeakPolarHBondContact OG-CE2 3.31Å; S4-F7 VanDerWaalsContact OG-CZ 3.31Å; S4-F7 WeakPolarHBondContact OG-CZ 3.29Å; F7-V9 HydrophobicContact CD2-CG2 4.27Å; F7-V9 HydrophobicContact CE2-CG2 4.48Å; F7-I56 HydrophobicContact CB-CG2 3.91Å; F7-I56 HydrophobicContact CG-CG2 4.39Å
8	C	80.4	Confident	73.1	Confident	20 Å²	20	79.1 Å²	79.1	14%	0.135	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	145.1	168.6	176	0	0	0	0	109.2	I57 T59	C8-I57 HydrophobicContact CB-CB 4.22Å; C8-I57 PolarHBondContact N-O 2.94Å; C8-I57 WeakPolarHBondContact O-CB 3.43Å; C8-I57 PolarHBondContact O-N 3.32Å; C8-T59 PolarHBondContact N-OG1 3.36Å
9	V	86.4	Confident	73.9	Confident	40 Å²	40	78.2 Å²	78.2	24%	0.242	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.3	170.3	-174.3	0	0	0	0	109.5	F7 R54 L55	F7-V9 HydrophobicContact CD2-CG2 4.27Å; F7-V9 HydrophobicContact CE2-CG2 4.48Å; V9-R54 HydrophobicContact CG1-CB 3.86Å; V9-R54 HydrophobicContact CG1-CG 4.44Å; V9-L55 WeakPolarHBondContact CA-O 3.45Å
10	Y	89.8	Confident	74.5	Confident	18 Å²	18	76.5 Å²	76.5	7%	0.071	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	146.9	172.4	-174.1	-96.9	0	0	0	110.1	V12 K13 D16 I21 R54 L55	Y10-V12 HydrophobicContact CD1-CG2 4.46Å; Y10-K13 WeakPolarHBondContact OH-CE 3.21Å; Y10-K13 PolarHBondContact OH-NZ 3.2Å; Y10-D16 VanDerWaalsContact CE1-OD2 3.23Å; Y10-D16 WeakPolarHBondContact CE1-OD2 3.02Å; Y10-D16 PolarHBondContact OH-OD2 2.99Å; Y10-I21 HydrophobicContact CD1-CD1 4.07Å; Y10-I21 HydrophobicContact CD1-CG1 4.22Å; Y10-I21 HydrophobicContact CD1-CG2 3.99Å; Y10-I21 HydrophobicContact CE1-CD1 3.79Å; Y10-I21 HydrophobicContact CE1-CG1 3.68Å; Y10-I21 HydrophobicContact CE1-CG2 4.15Å; Y10-I21 HydrophobicContact CG-CG2 4.31Å; Y10-R54 CarbonylContact O-C 3.4Å; Y10-R54 WeakPolarHBondContact O-CA 3.25Å; Y10-L55 PolarHBondContact N-O 2.78Å; Y10-L55 PolarHBondContact O-N 3.16Å
11	E	91.3	Very high	75.2	Confident	128 Å²	128	72.9 Å²	72.9	60%	0.598	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.8	175.4	-170.9	177.7	154.7	0	0	108.7	K13	E11-K13 PolarHBondContact O-N 3.19Å
12	V	91.8	Very high	77.1	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.024	41%	0.407	C	S	.	.			trans	-66.1	128.9	-173.1	176.6	0	0	0	0	110.3	Y10 D16 I21 V49 F50 P51 G52 Q53 L55	Y10-V12 HydrophobicContact CD1-CG2 4.46Å; V12-D16 HydrophobicContact CG1-CB 3.93Å; V12-I21 HydrophobicContact CG2-CD1 4.09Å; V12-V49 HydrophobicContact CG1-CB 4.16Å; V12-V49 HydrophobicContact CG1-CG2 3.93Å; V12-V49 HydrophobicContact CG2-CB 4.23Å; V12-V49 HydrophobicContact CG2-CG2 4.45Å; V12-F50 WeakPolarHBondContact CB-O 3.48Å; V12-F50 WeakPolarHBondContact CG1-O 3.32Å; V12-P51 CarbonylContact O-C 3.53Å; V12-P51 VanDerWaalsContact O-CA 3.3Å; V12-P51 WeakPolarHBondContact O-CA 3.43Å; V12-G52 PolarHBondContact O-N 2.86Å; V12-Q53 HydrophobicContact CB-CB 4.27Å; V12-Q53 HydrophobicContact CG2-CB 4.1Å; V12-Q53 WeakPolarHBondContact CG2-O 3.24Å; V12-Q53 PolarHBondContact N-O 3.4Å; V12-L55 HydrophobicContact CG2-CD1 3.49Å; V12-L55 VanDerWaalsContact CG2-CD1 3.49Å; V12-L55 HydrophobicContact CG2-CG 3.78Å
13	K	87.3	Confident	79.3	Confident	99 Å²	99	60.8 Å²	60.8	43%	0.43	40%	0.403	S	S	.	.			trans	-96.1	162	179.6	-55.9	171.1	-168	131.5	0	111.6	Y10 E11 G15 D16	Y10-K13 WeakPolarHBondContact OH-CE 3.21Å; Y10-K13 PolarHBondContact OH-NZ 3.2Å; E11-K13 PolarHBondContact O-N 3.19Å; K13-G15 PolarHBondContact O-N 2.87Å; K13-G15 VanDerWaalsContact O-N 3.12Å; K13-D16 WeakPolarHBondContact CB-OD2 3.47Å; K13-D16 PolarHBondContact N-OD2 2.99Å; K13-D16 WeakPolarHBondContact O-CB 3.3Å; K13-D16 PolarHBondContact O-N 2.78Å; K13-D16 VanDerWaalsContact O-N 3.09Å
14	P	84.5	Confident	81.5	Confident	117 Å²	117	61.2 Å²	61.2	76%	0.76	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	115.3	168.2	-24.6	35.5	0	0	0	111.9	P51	P14-P51 HydrophobicContact CB-CG 4.39Å; P14-P51 HydrophobicContact CG-CB 4.12Å; P14-P51 HydrophobicContact CG-CG 4.33Å
15	G	84.2	Confident	83.5	Confident	78 Å²	78	60 Å²	60	80%	0.804	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	-9	-178.9	0	0	0	0	0	115.4	K13	K13-G15 PolarHBondContact O-N 2.87Å; K13-G15 VanDerWaalsContact O-N 3.12Å
16	D	88.1	Confident	84.9	Confident	33 Å²	33	58.8 Å²	58.8	18%	0.176	36%	0.363	C	S	.	.			trans	-68.5	146.1	176.4	-74.2	-2.2	0	0	0	111.7	Y10 V12 K13 I21	Y10-D16 VanDerWaalsContact CE1-OD2 3.23Å; Y10-D16 WeakPolarHBondContact CE1-OD2 3.02Å; Y10-D16 PolarHBondContact OH-OD2 2.99Å; V12-D16 HydrophobicContact CG1-CB 3.93Å; K13-D16 WeakPolarHBondContact CB-OD2 3.47Å; K13-D16 PolarHBondContact N-OD2 2.99Å; K13-D16 WeakPolarHBondContact O-CB 3.3Å; K13-D16 PolarHBondContact O-N 2.78Å; K13-D16 VanDerWaalsContact O-N 3.09Å; D16-I21 HydrophobicContact CB-CD1 3.98Å; D16-I21 HydrophobicContact CB-CG1 4.03Å
17	S	90.1	Very high	85.8	Confident	52 Å²	52	57.1 Å²	57.1	36%	0.364	35%	0.354	S	S	.	.			trans	-131.1	162.5	169.3	68.4	0	0	0	0	109.7	S19 A20 I21	S17-S19 PolarHBondContact O-N 3.29Å; S17-A20 PolarHBondContact O-N 3.02Å; S17-A20 WeakPolarHBondContact OG-CB 3.3Å; S17-A20 PolarHBondContact OG-N 3.33Å; S17-A20 VanDerWaalsContact OG-N 3.14Å; S17-I21 VanDerWaalsContact O-CG1 3.28Å; S17-I21 WeakPolarHBondContact O-CG1 3.34Å; S17-I21 PolarHBondContact O-N 3.09Å
18	L	88.9	Confident	86.3	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-56.8	-35	176.2	-70.5	176.9	0	0	0	112.5	A22 P30 I33 A34 L39 L46 P47 V49 L55	L18-A22 VanDerWaalsContact O-CB 3.24Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.08Å; L18-P30 HydrophobicContact CB-CB 4.13Å; L18-I33 HydrophobicContact CD2-CB 4.14Å; L18-I33 HydrophobicContact CD2-CG2 3.58Å; L18-A34 HydrophobicContact CD1-CB 4.09Å; L18-L39 HydrophobicContact CD1-CD1 4.09Å; L18-L39 HydrophobicContact CD2-CD1 4.26Å; L18-L46 HydrophobicContact CD1-CB 4.36Å; L18-L46 HydrophobicContact CD1-CD2 4.47Å; L18-P47 HydrophobicContact CD1-CG 3.87Å; L18-P47 WeakPolarHBondContact CD1-O 3.46Å; L18-V49 HydrophobicContact CD1-CG1 4.43Å; L18-V49 HydrophobicContact CD2-CG1 3.69Å; L18-V49 HydrophobicContact CG-CG1 3.81Å; L18-L55 HydrophobicContact CD2-CD1 4.03Å
19	S	87.5	Confident	86.5	Confident	62 Å²	62	55.8 Å²	55.8	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-46.3	173.6	-51.4	0	0	0	0	112.3	S17 A23 L46	S17-S19 PolarHBondContact O-N 3.29Å; S19-A23 WeakPolarHBondContact O-CB 3.3Å; S19-A23 PolarHBondContact O-N 3.06Å; S19-L46 WeakPolarHBondContact OG-CD1 3.25Å
20	A	86.6	Confident	86.5	Confident	44 Å²	44	55.3 Å²	55.3	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-40.7	178.4	0	0	0	0	0	112.1	S17 A23 Q24	S17-A20 PolarHBondContact O-N 3.02Å; S17-A20 WeakPolarHBondContact OG-CB 3.3Å; S17-A20 PolarHBondContact OG-N 3.33Å; S17-A20 VanDerWaalsContact OG-N 3.14Å; A20-A23 PolarHBondContact O-N 2.99Å; A20-Q24 VanDerWaalsContact O-CB 3.29Å; A20-Q24 WeakPolarHBondContact O-CB 3.42Å; A20-Q24 PolarHBondContact O-N 3.1Å
21	I	88.2	Confident	86.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-66.3	-44.4	178.1	-64.1	161.9	0	0	0	110.4	Y10 V12 D16 S17 Q24 L25 I33 V49 L55 I57	Y10-I21 HydrophobicContact CD1-CD1 4.07Å; Y10-I21 HydrophobicContact CD1-CG1 4.22Å; Y10-I21 HydrophobicContact CD1-CG2 3.99Å; Y10-I21 HydrophobicContact CE1-CD1 3.79Å; Y10-I21 HydrophobicContact CE1-CG1 3.68Å; Y10-I21 HydrophobicContact CE1-CG2 4.15Å; Y10-I21 HydrophobicContact CG-CG2 4.31Å; V12-I21 HydrophobicContact CG2-CD1 4.09Å; D16-I21 HydrophobicContact CB-CD1 3.98Å; D16-I21 HydrophobicContact CB-CG1 4.03Å; S17-I21 VanDerWaalsContact O-CG1 3.28Å; S17-I21 WeakPolarHBondContact O-CG1 3.34Å; S17-I21 PolarHBondContact O-N 3.09Å; I21-Q24 PolarHBondContact O-N 3.47Å; I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 WeakPolarHBondContact O-CB 3.23Å; I21-L25 WeakPolarHBondContact O-CD1 3.39Å; I21-L25 WeakPolarHBondContact O-CG 3.28Å; I21-L25 PolarHBondContact O-N 2.81Å; I21-L25 VanDerWaalsContact O-N 3.09Å; I21-I33 HydrophobicContact CB-CD1 4.43Å; I21-I33 HydrophobicContact CG2-CD1 3.95Å; I21-V49 HydrophobicContact CD1-CG2 4.41Å; I21-L55 HydrophobicContact CD1-CD1 3.84Å; I21-I57 HydrophobicContact CG2-CD1 4.31Å
22	A	87.9	Confident	85.9	Confident	7 Å²	7	55.5 Å²	55.5	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-48.8	174.4	0	0	0	0	0	112	L18 Q24 L25 G26 V28 P30 I33	L18-A22 VanDerWaalsContact O-CB 3.24Å; L18-A22 WeakPolarHBondContact O-CB 3.34Å; L18-A22 PolarHBondContact O-N 3.08Å; A22-Q24 VanDerWaalsContact C-N 3.32Å; A22-Q24 PolarHBondContact O-N 3.2Å; A22-L25 PolarHBondContact O-N 3.5Å; A22-L25 VanDerWaalsContact O-N 3.1Å; A22-G26 PolarHBondContact O-N 3.4Å; A22-V28 WeakPolarHBondContact CB-O 3.38Å; A22-P30 HydrophobicContact CB-CB 4.32Å; A22-P30 HydrophobicContact CB-CG 3.63Å; A22-I33 HydrophobicContact CB-CD1 4Å
23	A	84.9	Confident	85.6	Confident	85 Å²	85	55.3 Å²	55.3	70%	0.702	35%	0.354	S	S	*	.	H	α-helix	trans	-63.3	-35.1	177.9	0	0	0	0	0	112.9	S19 A20 L25	S19-A23 WeakPolarHBondContact O-CB 3.3Å; S19-A23 PolarHBondContact O-N 3.06Å; A20-A23 PolarHBondContact O-N 2.99Å; A23-L25 VanDerWaalsContact C-N 3.29Å; A23-L25 PolarHBondContact O-N 2.83Å
24	Q	83.7	Confident	85.6	Confident	116 Å²	116	50.6 Å²	50.6	54%	0.542	33%	0.334	S	S	.	.	H	α-helix	trans	-69.9	-25.7	174.9	-160.5	-157.3	-61.2	0	0	112.6	A20 I21 A22	A20-Q24 VanDerWaalsContact O-CB 3.29Å; A20-Q24 WeakPolarHBondContact O-CB 3.42Å; A20-Q24 PolarHBondContact O-N 3.1Å; I21-Q24 PolarHBondContact O-N 3.47Å; A22-Q24 VanDerWaalsContact C-N 3.32Å; A22-Q24 PolarHBondContact O-N 3.2Å
25	L	85.5	Confident	85.4	Confident	32 Å²	32	53.4 Å²	53.4	17%	0.168	33%	0.329	C	S	.	.	H	α-helix	trans	-91.7	-36.9	-179.6	-69	166.4	0	0	0	112.5	I21 A22 A23 F27 V28 I33 I57	I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 WeakPolarHBondContact O-CB 3.23Å; I21-L25 WeakPolarHBondContact O-CD1 3.39Å; I21-L25 WeakPolarHBondContact O-CG 3.28Å; I21-L25 PolarHBondContact O-N 2.81Å; I21-L25 VanDerWaalsContact O-N 3.09Å; A22-L25 PolarHBondContact O-N 3.5Å; A22-L25 VanDerWaalsContact O-N 3.1Å; A23-L25 VanDerWaalsContact C-N 3.29Å; A23-L25 PolarHBondContact O-N 2.83Å; L25-F27 HydrophobicContact CB-CD1 4.34Å; L25-F27 HydrophobicContact CB-CE1 4.03Å; L25-F27 HydrophobicContact CB-CZ 4.34Å; L25-F27 HydrophobicContact CD2-CE1 3.99Å; L25-F27 HydrophobicContact CD2-CZ 4.01Å; L25-F27 WeakPolarHBondContact O-CD1 3.29Å; L25-F27 PolarHBondContact O-N 2.91Å; L25-V28 HydrophobicContact CB-CG2 3.86Å; L25-V28 HydrophobicContact CD1-CG2 3.61Å; L25-V28 HydrophobicContact CG-CG2 4.39Å; L25-I33 HydrophobicContact CD1-CD1 4.4Å; L25-I57 HydrophobicContact CD1-CD1 3.81Å; L25-I57 HydrophobicContact CD1-CG1 4.01Å; L25-I57 HydrophobicContact CD1-CG2 3.75Å
26	G	78.2	Confident	85.4	Confident	66 Å²	66	51.1 Å²	51.1	68%	0.68	30%	0.303	S	S	*	.	S	Bend	trans	71.2	-15.5	177.2	0	0	0	0	0	116.3	A22	A22-G26 PolarHBondContact O-N 3.4Å
27	F	82.5	Confident	85.3	Confident	110 Å²	110	50.9 Å²	50.9	48%	0.482	30%	0.302	S	S	.	.	S	Bend	trans	-109.9	0.3	-179.5	64.1	-98.1	0	0	0	114.9	L25 I57 T59	L25-F27 HydrophobicContact CB-CD1 4.34Å; L25-F27 HydrophobicContact CB-CE1 4.03Å; L25-F27 HydrophobicContact CB-CZ 4.34Å; L25-F27 HydrophobicContact CD2-CE1 3.99Å; L25-F27 HydrophobicContact CD2-CZ 4.01Å; L25-F27 WeakPolarHBondContact O-CD1 3.29Å; L25-F27 PolarHBondContact O-N 2.91Å; F27-I57 HydrophobicContact CE2-CG2 3.8Å; F27-I57 HydrophobicContact CZ-CG2 4Å; F27-T59 HydrophobicContact CE2-CG2 4.28Å
28	V	84.4	Confident	85.1	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	32%	0.322	C	S	.	.	S	Bend	trans	-134.7	144.5	176.8	-77.7	0	0	0	0	111.5	A22 L25 I33 I57 P58	A22-V28 WeakPolarHBondContact CB-O 3.38Å; L25-V28 HydrophobicContact CB-CG2 3.86Å; L25-V28 HydrophobicContact CD1-CG2 3.61Å; L25-V28 HydrophobicContact CG-CG2 4.39Å; V28-I33 HydrophobicContact CB-CG1 4.21Å; V28-I33 HydrophobicContact CG2-CD1 3.88Å; V28-I33 HydrophobicContact CG2-CG1 3.94Å; V28-I57 HydrophobicContact CG1-CG2 4.18Å; V28-I57 HydrophobicContact CG2-CG2 4.04Å; V28-P58 HydrophobicContact CG1-CG 3.94Å; V28-P58 VanDerWaalsContact CG1-O 3.3Å; V28-P58 WeakPolarHBondContact CG1-O 3.39Å
29	T	85.3	Confident	84.8	Confident	64 Å²	64	57.7 Å²	57.7	39%	0.393	33%	0.328	S	S	.	.			trans	-86.4	156.8	172.8	75.1	0	0	0	0	111.7	T31 Q32 I33	T29-T31 PolarHBondContact O-N 2.83Å; T29-Q32 WeakPolarHBondContact O-CB 3.35Å; T29-Q32 PolarHBondContact O-N 3.5Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.37Å; T29-Q32 PolarHBondContact OG1-N 2.76Å; T29-Q32 VanDerWaalsContact OG1-N 3.16Å; T29-I33 PolarHBondContact O-N 3.41Å
30	P	85.5	Confident	84.2	Confident	31 Å²	31	58.6 Å²	58.6	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-57.7	-36	177.1	-22.2	32.5	0	0	0	112.5	L18 A22 I33 A34 L46	L18-P30 HydrophobicContact CB-CB 4.13Å; A22-P30 HydrophobicContact CB-CB 4.32Å; A22-P30 HydrophobicContact CB-CG 3.63Å; P30-I33 PolarHBondContact O-N 2.82Å; P30-A34 WeakPolarHBondContact O-CB 3.32Å; P30-A34 PolarHBondContact O-N 2.63Å; P30-L46 HydrophobicContact CB-CD1 3.44Å; P30-L46 VanDerWaalsContact CB-CD1 3.44Å; P30-L46 HydrophobicContact CB-CD2 3.72Å; P30-L46 HydrophobicContact CB-CG 4.23Å; P30-L46 HydrophobicContact CG-CD1 4.09Å
31	T	83.4	Confident	83.5	Confident	59 Å²	59	60.8 Å²	60.8	36%	0.362	34%	0.337	S	S	.	.	H	α-helix	trans	-67.7	-37.2	176.8	-47.3	0	0	0	0	112.2	T29 A34 R35 L41	T29-T31 PolarHBondContact O-N 2.83Å; T31-A34 PolarHBondContact O-N 3.49Å; T31-R35 VanDerWaalsContact O-CB 3.25Å; T31-R35 WeakPolarHBondContact O-CB 3.5Å; T31-R35 PolarHBondContact O-N 2.94Å; T31-L41 HydrophobicContact CG2-CD1 3.81Å; T31-L41 HydrophobicContact CG2-CD2 4.18Å
32	Q	84.8	Confident	82.2	Confident	91 Å²	91	66.3 Å²	66.3	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-66	-42.1	173	-74.8	166.5	-12	0	0	111.3	T29 R35 A36	T29-Q32 WeakPolarHBondContact O-CB 3.35Å; T29-Q32 PolarHBondContact O-N 3.5Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.37Å; T29-Q32 PolarHBondContact OG1-N 2.76Å; T29-Q32 VanDerWaalsContact OG1-N 3.16Å; Q32-R35 PolarHBondContact O-N 2.85Å; Q32-A36 VanDerWaalsContact O-CB 3.25Å; Q32-A36 WeakPolarHBondContact O-CB 2.99Å; Q32-A36 PolarHBondContact O-N 3.45Å
33	I	86.2	Confident	80.6	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-62.5	-46.4	174.5	-57.4	170.6	0	0	0	110.2	L18 I21 A22 L25 V28 T29 P30 R35 A36 N37 L55 I57	L18-I33 HydrophobicContact CD2-CB 4.14Å; L18-I33 HydrophobicContact CD2-CG2 3.58Å; I21-I33 HydrophobicContact CB-CD1 4.43Å; I21-I33 HydrophobicContact CG2-CD1 3.95Å; A22-I33 HydrophobicContact CB-CD1 4Å; L25-I33 HydrophobicContact CD1-CD1 4.4Å; V28-I33 HydrophobicContact CB-CG1 4.21Å; V28-I33 HydrophobicContact CG2-CD1 3.88Å; V28-I33 HydrophobicContact CG2-CG1 3.94Å; T29-I33 PolarHBondContact O-N 3.41Å; P30-I33 PolarHBondContact O-N 2.82Å; I33-R35 PolarHBondContact O-N 2.85Å; I33-A36 PolarHBondContact O-N 3.41Å; I33-N37 WeakPolarHBondContact O-CB 3.45Å; I33-N37 PolarHBondContact O-N 2.99Å; I33-N37 VanDerWaalsContact O-N 3.13Å; I33-N37 PolarHBondContact O-ND2 3.07Å; I33-L55 HydrophobicContact CG2-CB 4.46Å; I33-L55 HydrophobicContact CG2-CD1 4.1Å; I33-I57 HydrophobicContact CD1-CD1 4.06Å; I33-I57 HydrophobicContact CG1-CD1 3.98Å; I33-I57 HydrophobicContact CG2-CD1 3.95Å
34	A	86.8	Confident	79.1	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-58.1	-49	176.4	0	0	0	0	0	112.2	L18 P30 T31 A36 N37 H38 L39 L41 P47	L18-A34 HydrophobicContact CD1-CB 4.09Å; P30-A34 WeakPolarHBondContact O-CB 3.32Å; P30-A34 PolarHBondContact O-N 2.63Å; T31-A34 PolarHBondContact O-N 3.49Å; A34-A36 PolarHBondContact O-N 2.85Å; A34-N37 CarbonylContact O-C 3.58Å; A34-N37 PolarHBondContact O-N 3.37Å; A34-H38 PolarHBondContact O-N 2.93Å; A34-H38 VanDerWaalsContact O-N 3.09Å; A34-L39 HydrophobicContact CB-CB 4.23Å; A34-L39 PolarHBondContact O-N 3.05Å; A34-L41 HydrophobicContact CB-CD2 3.74Å; A34-L41 HydrophobicContact CB-CG 4.48Å; A34-P47 HydrophobicContact CB-CG 4.28Å
35	R	81.7	Confident	78.1	Confident	175 Å²	175	74.9 Å²	74.9	66%	0.66	41%	0.405	S	S	*	.	H	α-helix	trans	-62.3	-42.2	179.5	-172.5	-179.2	-74.2	179.5	-4	112.1	T31 Q32 I33 N37 H38	T31-R35 VanDerWaalsContact O-CB 3.25Å; T31-R35 WeakPolarHBondContact O-CB 3.5Å; T31-R35 PolarHBondContact O-N 2.94Å; Q32-R35 PolarHBondContact O-N 2.85Å; I33-R35 PolarHBondContact O-N 2.85Å; R35-N37 PolarHBondContact O-N 3.48Å; R35-H38 PolarHBondContact O-N 2.87Å
36	A	84	Confident	77.6	Confident	31 Å²	31	76.6 Å²	76.6	26%	0.256	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-21.1	177.2	0	0	0	0	0	113.9	Q32 I33 A34 P58	Q32-A36 VanDerWaalsContact O-CB 3.25Å; Q32-A36 WeakPolarHBondContact O-CB 2.99Å; Q32-A36 PolarHBondContact O-N 3.45Å; I33-A36 PolarHBondContact O-N 3.41Å; A34-A36 PolarHBondContact O-N 2.85Å; A36-P58 HydrophobicContact CB-CG 4.23Å
37	N	86.6	Confident	77.7	Confident	28 Å²	28	73.8 Å²	73.8	15%	0.15	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	9.7	179.7	-70.9	-78.8	0	0	0	113.7	I33 A34 R35 L39 L55 I56	I33-N37 WeakPolarHBondContact O-CB 3.45Å; I33-N37 PolarHBondContact O-N 2.99Å; I33-N37 VanDerWaalsContact O-N 3.13Å; I33-N37 PolarHBondContact O-ND2 3.07Å; A34-N37 CarbonylContact O-C 3.58Å; A34-N37 PolarHBondContact O-N 3.37Å; R35-N37 PolarHBondContact O-N 3.48Å; N37-L39 HydrophobicContact CB-CD1 4.2Å; N37-L39 HydrophobicContact CB-CD2 4.42Å; N37-L39 HydrophobicContact CB-CG 3.84Å; N37-L39 PolarHBondContact O-N 2.96Å; N37-L39 VanDerWaalsContact O-N 3.15Å; N37-L55 HydrophobicContact CB-CD2 4.06Å; N37-L55 VanDerWaalsContact OD1-CA 3.3Å; N37-L55 WeakPolarHBondContact OD1-CA 3.44Å; N37-I56 PolarHBondContact ND2-N 3.36Å; N37-I56 PolarHBondContact ND2-O 2.86Å; N37-I56 PolarHBondContact OD1-N 3.18Å
38	H	85.3	Confident	77.7	Confident	169 Å²	169	72.7 Å²	72.7	78%	0.782	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	30.8	-176.2	-53.6	-42	0	0	0	113.9	A34 R35	A34-H38 PolarHBondContact O-N 2.93Å; A34-H38 VanDerWaalsContact O-N 3.09Å; R35-H38 PolarHBondContact O-N 2.87Å
39	L	82.5	Confident	77.8	Confident	30 Å²	30	73.1 Å²	73.1	16%	0.157	39%	0.39	C	S	.	.			trans	-78.7	136	177	-54.5	179	0	0	0	109.8	L18 A34 N37 L41 P47 V49 L55	L18-L39 HydrophobicContact CD1-CD1 4.09Å; L18-L39 HydrophobicContact CD2-CD1 4.26Å; A34-L39 HydrophobicContact CB-CB 4.23Å; A34-L39 PolarHBondContact O-N 3.05Å; N37-L39 HydrophobicContact CB-CD1 4.2Å; N37-L39 HydrophobicContact CB-CD2 4.42Å; N37-L39 HydrophobicContact CB-CG 3.84Å; N37-L39 PolarHBondContact O-N 2.96Å; N37-L39 VanDerWaalsContact O-N 3.15Å; L39-L41 PolarHBondContact O-N 3.07Å; L39-P47 HydrophobicContact CB-CB 4.11Å; L39-P47 HydrophobicContact CB-CG 3.47Å; L39-P47 VanDerWaalsContact CB-CG 3.47Å; L39-P47 HydrophobicContact CD1-CG 4.32Å; L39-V49 HydrophobicContact CD1-CG1 4.01Å; L39-L55 HydrophobicContact CD1-CD2 4.23Å
40	P	75.1	Confident	77.9	Confident	80 Å²	80	76.5 Å²	76.5	52%	0.519	40%	0.399	S	S	.	.			trans	-69.5	120.2	-175.5	27.4	-34.2	0	0	0	111.2	M42 P47	P40-M42 HydrophobicContact CG-CE 4.28Å; P40-M42 PolarHBondContact O-N 3.25Å; P40-P47 WeakPolarHBondContact O-CB 3.45Å; P40-P47 VanDerWaalsContact O-CG 3.32Å; P40-P47 WeakPolarHBondContact O-CG 3.25Å
41	L	70.8	Confident	77.9	Confident	91 Å²	91	78.8 Å²	78.8	48%	0.476	41%	0.414	S	S	.	.			trans	-76.6	108.2	171.2	-66.9	172.4	0	0	0	108.7	T31 A34 L39 L46	T31-L41 HydrophobicContact CG2-CD1 3.81Å; T31-L41 HydrophobicContact CG2-CD2 4.18Å; A34-L41 HydrophobicContact CB-CD2 3.74Å; A34-L41 HydrophobicContact CB-CG 4.48Å; L39-L41 PolarHBondContact O-N 3.07Å; L41-L46 HydrophobicContact CD2-CD2 4.38Å
42	M	62.1	Low	77.9	Confident	117 Å²	117	78.2 Å²	78.2	58%	0.576	42%	0.42	S	S	*	.	B	Isolated β-bridge	trans	-87.7	146	179.7	-61.5	-178.4	179.8	0	0	110	P40 Y44 G45	P40-M42 HydrophobicContact CG-CE 4.28Å; P40-M42 PolarHBondContact O-N 3.25Å; M42-Y44 PolarHBondContact O-N 2.97Å; M42-G45 PolarHBondContact N-O 3.34Å; M42-G45 PolarHBondContact O-N 2.94Å; M42-G45 VanDerWaalsContact O-N 3.14Å; M42-G45 VanDerWaalsContact O-O 3.13Å
43	S	53.7	Low	78.1	Confident	115 Å²	115	76.3 Å²	76.3	80%	0.804	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-14.4	-177.4	-50.5	0	0	0	0	115.1
44	Y	52.4	Low	78.3	Confident	231 Å²	231	83.9 Å²	83.9	91%	0.906	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	10.2	-174.5	-52.5	-74.1	0	0	0	113.7	M42	M42-Y44 PolarHBondContact O-N 2.97Å
45	G	64.3	Low	78.4	Confident	42 Å²	42	83.9 Å²	83.9	43%	0.433	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	164.4	171.6	175.3	0	0	0	0	0	116.5	M42	M42-G45 PolarHBondContact N-O 3.34Å; M42-G45 PolarHBondContact O-N 2.94Å; M42-G45 VanDerWaalsContact O-N 3.14Å; M42-G45 VanDerWaalsContact O-O 3.13Å
46	L	74.9	Confident	78.7	Confident	67 Å²	67	79.2 Å²	79.2	35%	0.351	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-72.7	140	171.5	-72	161.1	0	0	0	110.4	L18 S19 P30 L41	L18-L46 HydrophobicContact CD1-CB 4.36Å; L18-L46 HydrophobicContact CD1-CD2 4.47Å; S19-L46 WeakPolarHBondContact OG-CD1 3.25Å; P30-L46 HydrophobicContact CB-CD1 3.44Å; P30-L46 VanDerWaalsContact CB-CD1 3.44Å; P30-L46 HydrophobicContact CB-CD2 3.72Å; P30-L46 HydrophobicContact CB-CG 4.23Å; P30-L46 HydrophobicContact CG-CD1 4.09Å; L41-L46 HydrophobicContact CD2-CD2 4.38Å
47	P	78.5	Confident	78.9	Confident	7 Å²	7	77.7 Å²	77.7	5%	0.045	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-65.1	146.7	179.9	23	-30.9	0	0	0	112.2	L18 A34 L39 P40	L18-P47 HydrophobicContact CD1-CG 3.87Å; L18-P47 WeakPolarHBondContact CD1-O 3.46Å; A34-P47 HydrophobicContact CB-CG 4.28Å; L39-P47 HydrophobicContact CB-CB 4.11Å; L39-P47 HydrophobicContact CB-CG 3.47Å; L39-P47 VanDerWaalsContact CB-CG 3.47Å; L39-P47 HydrophobicContact CD1-CG 4.32Å; P40-P47 WeakPolarHBondContact O-CB 3.45Å; P40-P47 VanDerWaalsContact O-CG 3.32Å; P40-P47 WeakPolarHBondContact O-CG 3.25Å
48	P	83.6	Confident	78.4	Confident	88 Å²	88	78.7 Å²	78.7	57%	0.571	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-67.6	153.8	177.3	29.5	-35.4	0	0	0	111.8	F50	P48-F50 HydrophobicContact CG-CZ 4.5Å
49	V	86.9	Confident	77.5	Confident	19 Å²	19	73.9 Å²	73.9	12%	0.115	41%	0.405	C	S	.	.			trans	-126.1	148.7	174	-69.2	0	0	0	0	109.9	V12 L18 I21 L39 L55	V12-V49 HydrophobicContact CG1-CB 4.16Å; V12-V49 HydrophobicContact CG1-CG2 3.93Å; V12-V49 HydrophobicContact CG2-CB 4.23Å; V12-V49 HydrophobicContact CG2-CG2 4.45Å; L18-V49 HydrophobicContact CD1-CG1 4.43Å; L18-V49 HydrophobicContact CD2-CG1 3.69Å; L18-V49 HydrophobicContact CG-CG1 3.81Å; I21-V49 HydrophobicContact CD1-CG2 4.41Å; L39-V49 HydrophobicContact CD1-CG1 4.01Å; V49-L55 HydrophobicContact CG1-CD1 4.13Å; V49-L55 HydrophobicContact CG1-CD2 4.38Å
50	F	86.6	Confident	76.2	Confident	135 Å²	135	76.7 Å²	76.7	59%	0.592	43%	0.433	S	S	*	.			trans	-114.1	141.3	-171.2	-59.9	-81.8	0	0	0	111.7	V12 P48 G52 Q53	V12-F50 WeakPolarHBondContact CB-O 3.48Å; V12-F50 WeakPolarHBondContact CG1-O 3.32Å; P48-F50 HydrophobicContact CG-CZ 4.5Å; F50-G52 PolarHBondContact O-N 3.3Å; F50-Q53 WeakPolarHBondContact O-CB 3.48Å; F50-Q53 PolarHBondContact O-N 3.37Å
51	P	85.8	Confident	74.4	Confident	80 Å²	80	77.1 Å²	77.1	52%	0.519	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	135.3	178.1	-27.5	37.4	0	0	0	112.8	V12 P14 Q53	V12-P51 CarbonylContact O-C 3.53Å; V12-P51 VanDerWaalsContact O-CA 3.3Å; V12-P51 WeakPolarHBondContact O-CA 3.43Å; P14-P51 HydrophobicContact CB-CG 4.39Å; P14-P51 HydrophobicContact CG-CB 4.12Å; P14-P51 HydrophobicContact CG-CG 4.33Å; P51-Q53 VanDerWaalsContact C-N 3.29Å
52	G	82.5	Confident	72.6	Confident	47 Å²	47	84.2 Å²	84.2	49%	0.485	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-6.6	-171.4	0	0	0	0	0	114.8	V12 F50 R54	V12-G52 PolarHBondContact O-N 2.86Å; F50-G52 PolarHBondContact O-N 3.3Å; G52-R54 PolarHBondContact O-N 3.48Å
53	Q	89.8	Confident	70.9	Confident	50 Å²	50	82.9 Å²	82.9	23%	0.234	47%	0.471	C	S	.	.			trans	-65.3	133.7	170.2	-174.9	175.4	-2.6	0	0	109.9	V12 F50 P51 L55	V12-Q53 HydrophobicContact CB-CB 4.27Å; V12-Q53 HydrophobicContact CG2-CB 4.1Å; V12-Q53 WeakPolarHBondContact CG2-O 3.24Å; V12-Q53 PolarHBondContact N-O 3.4Å; F50-Q53 WeakPolarHBondContact O-CB 3.48Å; F50-Q53 PolarHBondContact O-N 3.37Å; P51-Q53 VanDerWaalsContact C-N 3.29Å; Q53-L55 HydrophobicContact CG-CD2 4.2Å
54	R	90.4	Very high	69.7	Low	160 Å²	160	85 Å²	85	60%	0.604	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.8	176	-63.3	-179	77.4	-147.5	7.3	109.2	V9 Y10 G52	V9-R54 HydrophobicContact CG1-CB 3.86Å; V9-R54 HydrophobicContact CG1-CG 4.44Å; Y10-R54 CarbonylContact O-C 3.4Å; Y10-R54 WeakPolarHBondContact O-CA 3.25Å; G52-R54 PolarHBondContact O-N 3.48Å
55	L	89.9	Confident	68.5	Low	0 Å²	0	80.5 Å²	80.5	0%	0	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.6	179.4	-63.1	175.1	0	0	0	110.8	V9 Y10 V12 L18 I21 I33 N37 L39 V49 Q53 I57	V9-L55 WeakPolarHBondContact CA-O 3.45Å; Y10-L55 PolarHBondContact N-O 2.78Å; Y10-L55 PolarHBondContact O-N 3.16Å; V12-L55 HydrophobicContact CG2-CD1 3.49Å; V12-L55 VanDerWaalsContact CG2-CD1 3.49Å; V12-L55 HydrophobicContact CG2-CG 3.78Å; L18-L55 HydrophobicContact CD2-CD1 4.03Å; I21-L55 HydrophobicContact CD1-CD1 3.84Å; I33-L55 HydrophobicContact CG2-CB 4.46Å; I33-L55 HydrophobicContact CG2-CD1 4.1Å; N37-L55 HydrophobicContact CB-CD2 4.06Å; N37-L55 VanDerWaalsContact OD1-CA 3.3Å; N37-L55 WeakPolarHBondContact OD1-CA 3.44Å; L39-L55 HydrophobicContact CD1-CD2 4.23Å; V49-L55 HydrophobicContact CG1-CD1 4.13Å; V49-L55 HydrophobicContact CG1-CD2 4.38Å; Q53-L55 HydrophobicContact CG-CD2 4.2Å; L55-I57 HydrophobicContact CB-CD1 4.37Å; L55-I57 PolarHBondContact O-N 3.15Å
56	I	87.4	Confident	66.9	Low	76 Å²	76	84.1 Å²	84.1	39%	0.39	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120	167.6	-56.4	178	0	0	0	108.2	F7 N37	F7-I56 HydrophobicContact CB-CG2 3.91Å; F7-I56 HydrophobicContact CG-CG2 4.39Å; N37-I56 PolarHBondContact ND2-N 3.36Å; N37-I56 PolarHBondContact ND2-O 2.86Å; N37-I56 PolarHBondContact OD1-N 3.18Å
57	I	88	Confident	64.7	Low	0 Å²	0	85.9 Å²	85.9	0%	0	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108.2	175.1	-56.4	-55	0	0	0	107.3	C8 I21 L25 F27 V28 I33 L55 T59	C8-I57 HydrophobicContact CB-CB 4.22Å; C8-I57 PolarHBondContact N-O 2.94Å; C8-I57 WeakPolarHBondContact O-CB 3.43Å; C8-I57 PolarHBondContact O-N 3.32Å; I21-I57 HydrophobicContact CG2-CD1 4.31Å; L25-I57 HydrophobicContact CD1-CD1 3.81Å; L25-I57 HydrophobicContact CD1-CG1 4.01Å; L25-I57 HydrophobicContact CD1-CG2 3.75Å; F27-I57 HydrophobicContact CE2-CG2 3.8Å; F27-I57 HydrophobicContact CZ-CG2 4Å; V28-I57 HydrophobicContact CG1-CG2 4.18Å; V28-I57 HydrophobicContact CG2-CG2 4.04Å; I33-I57 HydrophobicContact CD1-CD1 4.06Å; I33-I57 HydrophobicContact CG1-CD1 3.98Å; I33-I57 HydrophobicContact CG2-CD1 3.95Å; L55-I57 HydrophobicContact CB-CD1 4.37Å; L55-I57 PolarHBondContact O-N 3.15Å; I57-T59 PolarHBondContact O-N 3.41Å; I57-T59 PolarHBondContact O-OG1 2.79Å
58	P	76.9	Confident	62.3	Low	48 Å²	48	92.3 Å²	92.3	31%	0.312	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	127.9	176.4	25.7	-32.1	0	0	0	109.2	V28 A36	V28-P58 HydrophobicContact CG1-CG 3.94Å; V28-P58 VanDerWaalsContact CG1-O 3.3Å; V28-P58 WeakPolarHBondContact CG1-O 3.39Å; A36-P58 HydrophobicContact CB-CG 4.23Å
59	T	66.2	Low	59.6	Low	68 Å²	68	97 Å²	97	42%	0.417	56%	0.561	S	S	.	*			trans	-114.8	-13.9	-171.8	-39	0	0	0	0	112.7	E6 C8 F27 I57	E6-T59 PolarHBondContact O-N 3.32Å; C8-T59 PolarHBondContact N-OG1 3.36Å; F27-T59 HydrophobicContact CE2-CG2 4.28Å; I57-T59 PolarHBondContact O-N 3.41Å; I57-T59 PolarHBondContact O-OG1 2.79Å
60	A	54.1	Low	56.7	Low	89 Å²	89	104.1 Å²	104.1	74%	0.736	60%	0.597	S	S	*	*			trans	-76.6	121.9	177.2	0	0	0	0	0	111.7
61	A	38.3	Very low	53.8	Low	90 Å²	90	106.3 Å²	106.3	74%	0.744	61%	0.606	S	S	*	*			trans	-117.8	150.9	171.5	0	0	0	0	0	110.7
62	R	31.7	Very low	50.9	Low	240 Å²	240	108.8 Å²	108.8	91%	0.906	61%	0.611	S	S	*	*	S	Bend	trans	71.6	115.3	173.2	-61.6	-179.4	170.7	166.1	-2.3	118
63	A	27.7	Very low	48.3	Very low	88 Å²	88	114 Å²	114	73%	0.727	63%	0.627	S	S	*	*			trans	76.4	152.4	142.9	0	0	0	0	0	121.5
64	N	28.1	Very low	45.4	Very low	160 Å²	160	117.6 Å²	117.6	86%	0.856	65%	0.654	S	S	*	*			trans	70.7	103.3	159.6	-60.3	-21.6	0	0	0	120.3
65	C	27.5	Very low	42.5	Very low	136 Å²	136	113.2 Å²	113.2	92%	0.919	66%	0.659	S	S	*	*			trans	-143.2	150.1	132	-160.6	0	0	0	0	109.7
66	S	31.2	Very low	39.9	Very low	118 Å²	118	115.9 Å²	115.9	83%	0.825	68%	0.675	S	S	*	*			trans	-104	164.3	-155.6	52.4	0	0	0	0	116.1
67	S	27.9	Very low	37.4	Very low	104 Å²	104	112.6 Å²	112.6	73%	0.727	66%	0.66	S	S	*	*			trans	-95.2	145.8	-172.8	174.1	0	0	0	0	114.2
68	T	26.9	Very low	35.3	Very low	142 Å²	142	114.6 Å²	114.6	87%	0.871	67%	0.67	S	S	*	*			trans	-135.9	141	164.2	50.1	0	0	0	0	111
69	K	28	Very low	33.4	Very low	187 Å²	187	118.6 Å²	118.6	81%	0.813	68%	0.679	S	S	*	*			trans	-102.6	142.3	-157.7	-53.2	173.4	-178.8	179.3	0	115
70	I	25.2	Very low	32.2	Very low	168 Å²	168	117.1 Å²	117.1	86%	0.862	67%	0.668	S	S	*	*			trans	-136.4	162.5	156.5	-59.7	-174.7	0	0	0	109
71	K	26.9	Very low	31.4	Very low	182 Å²	182	117.6 Å²	117.6	79%	0.791	66%	0.655	S	S	*	*			trans	-106.1	134.9	-152.5	-70.5	-177.1	177.2	-179.7	0	118.1
72	H	25.3	Very low	31.2	Very low	131 Å²	131	118.1 Å²	118.1	61%	0.606	65%	0.645	S	S	*	*			trans	45.4	121.7	135.7	-61.3	-75.9	0	0	0	124.2	F101	H72-F101 AromaticContact CE1-CZ 3.66Å; H72-F101 AromaticContact ND1-CE1 3.78Å; H72-F101 AromaticContact ND1-CZ 3.78Å
73	L	26.9	Very low	31.3	Very low	157 Å²	157	113.3 Å²	113.3	82%	0.822	64%	0.635	S	S	*	*			trans	-144.5	157.3	134.9	-137.6	60.6	0	0	0	107.7
74	P	29.4	Very low	31.5	Very low	125 Å²	125	116.1 Å²	116.1	81%	0.812	64%	0.637	S	S	*	*	S	Bend	trans	-98.8	154.8	-161.7	36.9	-32.2	0	0	0	115.4
75	G	29.8	Very low	31.6	Very low	68 Å²	68	117.6 Å²	117.6	70%	0.701	64%	0.636	S	S	*	*			trans	125	72.6	177.2	0	0	0	0	0	111.3
76	V	34.3	Very low	31.8	Very low	57 Å²	57	120 Å²	120	35%	0.345	63%	0.634	S	S	.	*			trans	-133.3	136	-160.7	-157.8	0	0	0	0	114	P100	V76-P100 HydrophobicContact CB-CB 3.85Å; V76-P100 HydrophobicContact CG1-CB 3.72Å; V76-P100 HydrophobicContact CG2-CB 4.21Å
77	A	36.2	Very low	31.8	Very low	7 Å²	7	121.6 Å²	121.6	6%	0.058	63%	0.633	C	S	.	*	P	Polyproline II helix	trans	-77.7	145.1	172.4	0	0	0	0	0	112.4	R79 F102 L223 C224	A77-R79 PolarHBondContact O-N 3.36Å; A77-F102 HydrophobicContact CB-CD2 4.2Å; A77-F102 HydrophobicContact CB-CE2 4.11Å; A77-L223 WeakPolarHBondContact CB-O 3.35Å; A77-C224 HydrophobicContact CB-CB 4.37Å
78	L	42.8	Very low	31.8	Very low	41 Å²	41	122.6 Å²	122.6	22%	0.215	64%	0.635	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.3	119.7	-176.7	-53.4	177.4	0	0	0	111.1	V98 L219 G222 C224	L78-V98 HydrophobicContact CB-CG1 4.36Å; L78-V98 HydrophobicContact CD2-CG1 3.8Å; L78-V98 HydrophobicContact CD2-CG2 4.38Å; L78-L219 WeakPolarHBondContact CD1-O 3.4Å; L78-G222 PolarHBondContact N-O 2.89Å; L78-C224 PolarHBondContact O-N 2.86Å
79	R	37.7	Very low	31.8	Very low	133 Å²	133	122.6 Å²	122.6	50%	0.502	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	130	170.3	-163.5	-177.1	-162.9	-171.4	6.1	110.4	A77 C224	A77-R79 PolarHBondContact O-N 3.36Å; R79-C224 WeakPolarHBondContact CA-O 3.47Å
80	I	41.1	Very low	31.8	Very low	37 Å²	37	119 Å²	119	19%	0.19	62%	0.623	C	S	.	*	P	Polyproline II helix	trans	-90.6	127.2	167.3	-57	178.4	0	0	0	107.7	C224 I225 P226 L394	I80-C224 PolarHBondContact N-O 3.13Å; I80-I225 HydrophobicContact CD1-CG1 4.33Å; I80-P226 WeakPolarHBondContact O-CD 3.47Å; I80-P226 WeakPolarHBondContact O-CG 3.45Å; I80-L394 HydrophobicContact CD1-CD1 3.42Å; I80-L394 VanDerWaalsContact CD1-CD1 3.42Å
81	E	36	Very low	31.8	Very low	99 Å²	99	117.4 Å²	117.4	46%	0.463	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-103.7	146	174.5	-60.4	-165.9	155.6	0	0	109.7
82	D	35.7	Very low	31.8	Very low	100 Å²	100	114.4 Å²	114.4	54%	0.535	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-76.2	135.5	-175.8	-165.1	11.5	0	0	0	111.4	D84	D82-D84 VanDerWaalsContact C-N 3.34Å; D82-D84 PolarHBondContact O-N 3.18Å; D82-D84 VanDerWaalsContact O-N 3.08Å
83	M	32	Very low	31.8	Very low	140 Å²	140	113.5 Å²	113.5	69%	0.69	64%	0.638	S	S	*	*			trans	-89.3	70.3	-173	-73.5	-97.8	67.2	0	0	110.8	L96	M83-L96 HydrophobicContact SD-CD2 4.17Å
84	D	32.5	Very low	31.7	Very low	146 Å²	146	109.2 Å²	109.2	78%	0.781	63%	0.633	S	S	*	*			trans	-65.6	142.2	-179.9	-157	-1.9	0	0	0	112	D82 Q86	D82-D84 VanDerWaalsContact C-N 3.34Å; D82-D84 PolarHBondContact O-N 3.18Å; D82-D84 VanDerWaalsContact O-N 3.08Å; D84-Q86 PolarHBondContact O-N 3.4Å
85	K	30.5	Very low	31.5	Very low	192 Å²	192	112.3 Å²	112.3	84%	0.835	63%	0.633	S	S	*	*			trans	-88.5	91.3	-153.5	-64.7	176.8	-178.4	175.3	0	113.4
86	Q	32.3	Very low	31.4	Very low	185 Å²	185	114.7 Å²	114.7	86%	0.864	63%	0.629	S	S	*	*			trans	-135.5	121.7	163.9	-63.9	-167.5	18.2	0	0	113.4	D84	D84-Q86 PolarHBondContact O-N 3.4Å
87	N	29.8	Very low	31.2	Very low	153 Å²	153	114.7 Å²	114.7	82%	0.818	64%	0.636	S	S	*	*			trans	36.3	94.6	165.6	-67.9	2.8	0	0	0	119.7
88	V	28.8	Very low	30.8	Very low	124 Å²	124	117.3 Å²	117.3	75%	0.752	65%	0.651	S	S	*	*				28.4	109	103.7	-176.1	0	0	0	0	115.8
89	D	26.8	Very low	30.3	Very low	143 Å²	143	120.4 Å²	120.4	77%	0.765	66%	0.664	S	S	*	*				-167.5	150.5	103.2	-116	-33.5	0	0	0	115.2
90	T	27.5	Very low	29.9	Very low	112 Å²	112	116.2 Å²	116.2	69%	0.687	65%	0.654	S	S	*	*			trans	28.8	116.3	164.1	27.5	0	0	0	0	123.5
91	T	24.7	Very low	29.5	Very low	134 Å²	134	119.2 Å²	119.2	82%	0.822	67%	0.666	S	S	*	*			trans	50.4	84.2	133.5	59	0	0	0	0	120.7
92	S	27.8	Very low	29.4	Very low	118 Å²	118	117.3 Å²	117.3	83%	0.825	66%	0.656	S	S	*	*				-156	161.9	129.6	68.8	0	0	0	0	111.3	G94	S92-G94 PolarHBondContact O-N 3.49Å
93	A	25.5	Very low	29.1	Very low	112 Å²	112	121.5 Å²	121.5	93%	0.926	67%	0.666	S	S	*	*	S	Bend	trans	-84.5	93.3	-175.8	0	0	0	0	0	112.2
94	G	24.2	Very low	29.1	Very low	68 Å²	68	120.7 Å²	120.7	70%	0.701	67%	0.669	S	S	*	*			trans	94.8	131.3	159.2	0	0	0	0	0	116.8	S92	S92-G94 PolarHBondContact O-N 3.49Å
95	F	26.3	Very low	29.1	Very low	189 Å²	189	119.4 Å²	119.4	83%	0.829	67%	0.667	S	S	*	*			trans	-163.8	91.2	143	-165.7	-97.4	0	0	0	110.2	A97	F95-A97 HydrophobicContact CD1-CB 4.23Å; F95-A97 HydrophobicContact CE1-CB 3.9Å
96	L	27.3	Very low	29	Very low	118 Å²	118	120 Å²	120	62%	0.618	66%	0.664	S	S	*	*			trans	-81.1	119.2	164.4	-73.7	177	0	0	0	108.5	M83 V98	M83-L96 HydrophobicContact SD-CD2 4.17Å; L96-V98 PolarHBondContact O-N 3.39Å; L96-V98 VanDerWaalsContact O-N 3.07Å
97	A	29	Very low	28.9	Very low	58 Å²	58	117.2 Å²	117.2	48%	0.479	66%	0.659	S	S	.	*			trans	-79.2	89.1	-172.7	0	0	0	0	0	112	F95 Q99	F95-A97 HydrophobicContact CD1-CB 4.23Å; F95-A97 HydrophobicContact CE1-CB 3.9Å; A97-Q99 PolarHBondContact O-N 2.9Å
98	V	28	Very low	29.1	Very low	62 Å²	62	117.1 Å²	117.1	38%	0.376	66%	0.658	S	S	.	*			trans	-72.3	127	-179.5	-179.5	0	0	0	0	112	L78 L96	L78-V98 HydrophobicContact CB-CG1 4.36Å; L78-V98 HydrophobicContact CD2-CG1 3.8Å; L78-V98 HydrophobicContact CD2-CG2 4.38Å; L96-V98 PolarHBondContact O-N 3.39Å; L96-V98 VanDerWaalsContact O-N 3.07Å
99	Q	32.6	Very low	29.2	Very low	105 Å²	105	117.2 Å²	117.2	49%	0.491	65%	0.654	S	S	.	*			trans	-111.7	125.6	166.2	-75.8	-62.6	-70.1	0	0	111.3	A97	A97-Q99 PolarHBondContact O-N 2.9Å
100	P	29	Very low	29.4	Very low	46 Å²	46	116.1 Å²	116.1	30%	0.299	66%	0.655	S	S	.	*			trans	-114.2	93.6	-168.7	38.8	-29.9	0	0	0	114.9	V76	V76-P100 HydrophobicContact CB-CB 3.85Å; V76-P100 HydrophobicContact CG1-CB 3.72Å; V76-P100 HydrophobicContact CG2-CB 4.21Å
101	F	33.3	Very low	29.7	Very low	99 Å²	99	117.6 Å²	117.6	43%	0.434	66%	0.658	S	S	.	*			trans	-146.7	147.5	163.8	-59.6	-73.6	0	0	0	111.8	H72	H72-F101 AromaticContact CE1-CZ 3.66Å; H72-F101 AromaticContact ND1-CE1 3.78Å; H72-F101 AromaticContact ND1-CZ 3.78Å
102	F	34.2	Very low	30.1	Very low	59 Å²	59	119.1 Å²	119.1	26%	0.259	65%	0.654	S	S	.	*			trans	-132.9	-32.3	-167.9	-157.6	-78.4	0	0	0	116.7	A77 L146 C153 C224	A77-F102 HydrophobicContact CB-CD2 4.2Å; A77-F102 HydrophobicContact CB-CE2 4.11Å; F102-L146 HydrophobicContact CE1-CD2 3.88Å; F102-L146 HydrophobicContact CZ-CD2 4.15Å; F102-C153 HydrophobicContact CE2-CB 3.56Å; F102-C153 VanDerWaalsContact CE2-SG 3.58Å; F102-C153 HydrophobicContact CZ-CB 3.39Å; F102-C224 HydrophobicContact CE2-CB 4.45Å
103	Y	29.3	Very low	30.1	Very low	189 Å²	189	119 Å²	119	74%	0.741	65%	0.653	S	S	*	*	S	Bend	trans	-129.7	63.4	-170.9	-73	-64	0	0	0	114.9
104	T	31.4	Very low	30.5	Very low	123 Å²	123	122.2 Å²	122.2	76%	0.755	64%	0.642	S	S	*	*			trans	-150.4	134.2	167	51.5	0	0	0	0	107.9
105	T	33	Very low	31	Very low	119 Å²	119	125.1 Å²	125.1	73%	0.73	65%	0.649	S	S	*	*			cis	-154.3	144.1	16.4	-39	0	0	0	0	110.3	V107	T105-V107 HydrophobicContact CG2-CG2 4.25Å
106	R	28.5	Very low	31.5	Very low	203 Å²	203	122 Å²	122	77%	0.766	64%	0.64	S	S	*	*			trans	-75.7	125.4	158.9	-82.5	-171	178.2	-166.9	-0.4	108.8
107	V	30.1	Very low	32	Very low	127 Å²	127	122.3 Å²	122.3	77%	0.77	64%	0.642	S	S	*	*			trans	-120.5	101.8	172.7	-177.1	0	0	0	0	110	T105	T105-V107 HydrophobicContact CG2-CG2 4.25Å
108	L	33.7	Very low	32.5	Very low	151 Å²	151	123.9 Å²	123.9	79%	0.791	64%	0.642	S	S	*	*			trans	-76.3	125.3	169.6	-79.1	159.4	0	0	0	109.4	P110	L108-P110 WeakPolarHBondContact O-CD 3.42Å
109	N	30.8	Very low	33	Very low	127 Å²	127	127 Å²	127	68%	0.679	66%	0.657	S	S	*	*			trans	-82.6	115.2	177.2	-171.8	-20.6	0	0	0	109.7	N111	N109-N111 PolarHBondContact O-N 3.48Å
110	P	32.3	Very low	33.3	Very low	119 Å²	119	125.1 Å²	125.1	77%	0.773	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-7.9	-165.4	-25.9	36.1	0	0	0	117.4	L108	L108-P110 WeakPolarHBondContact O-CD 3.42Å
111	N	32.6	Very low	33.7	Very low	143 Å²	143	126.3 Å²	126.3	77%	0.765	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	20.1	-162.5	-68.9	-22.8	0	0	0	115.6	N109	N109-N111 PolarHBondContact O-N 3.48Å
112	K	34	Very low	34.1	Very low	167 Å²	167	129 Å²	129	73%	0.726	68%	0.676	S	S	*	*			trans	-138.6	111.1	171.8	-79.1	-172.3	175.1	-177.3	0	112.3	Y114	K112-Y114 HydrophobicContact CB-CD2 4.16Å; K112-Y114 HydrophobicContact CB-CE2 4.12Å; K112-Y114 HydrophobicContact CD-CE2 4.26Å; K112-Y114 HydrophobicContact CG-CE2 4.32Å
113	S	28	Very low	34.8	Very low	115 Å²	115	137.2 Å²	137.2	80%	0.804	71%	0.706	S	S	*	*			trans	-87.2	105.1	172.4	56.2	0	0	0	0	111.3
114	Y	32.4	Very low	36.6	Very low	179 Å²	179	132.8 Å²	132.8	70%	0.702	69%	0.692	S	S	*	*			trans	-136	149.6	164.9	-65	-77	0	0	0	109.1	K112	K112-Y114 HydrophobicContact CB-CD2 4.16Å; K112-Y114 HydrophobicContact CB-CE2 4.12Å; K112-Y114 HydrophobicContact CD-CE2 4.26Å; K112-Y114 HydrophobicContact CG-CE2 4.32Å
115	P	35.9	Very low	38.7	Very low	129 Å²	129	132 Å²	132	84%	0.838	68%	0.678	S	S	*	*			trans	-63.4	144.1	-177.2	-20.4	33.5	0	0	0	112
116	I	37	Very low	41.1	Very low	124 Å²	124	127.4 Å²	127.4	64%	0.636	65%	0.65	S	S	*	*			trans	-91.2	136	175.7	-59.6	171.7	0	0	0	108.6	D118	I116-D118 HydrophobicContact CG2-CB 4.19Å; I116-D118 VanDerWaalsContact CG2-CG 3.41Å; I116-D118 VanDerWaalsContact CG2-OD2 3.31Å; I116-D118 WeakPolarHBondContact CG2-OD2 3.22Å
117	D	37	Very low	43.9	Very low	124 Å²	124	124.3 Å²	124.3	66%	0.663	64%	0.642	S	S	*	*			trans	-117.8	86.4	167.8	-167.4	20.9	0	0	0	106.3	D119 A120	D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.09Å; D117-A120 PolarHBondContact O-N 3.12Å
118	D	38.5	Very low	46.7	Very low	91 Å²	91	118.4 Å²	118.4	49%	0.487	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.8	-28.9	-163.4	-95.5	-59.9	0	0	0	113	I116 A120 L121	I116-D118 HydrophobicContact CG2-CB 4.19Å; I116-D118 VanDerWaalsContact CG2-CG 3.41Å; I116-D118 VanDerWaalsContact CG2-OD2 3.31Å; I116-D118 WeakPolarHBondContact CG2-OD2 3.22Å; D118-A120 PolarHBondContact O-N 3.43Å; D118-L121 PolarHBondContact O-N 2.91Å
119	D	39.5	Very low	49.3	Very low	129 Å²	129	116.7 Å²	116.7	69%	0.69	60%	0.598	S	S	*	*	H	α-helix	trans	-58.3	-24.2	-179.8	-70.8	2.2	0	0	0	112.9	D117 L121	D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.09Å; D119-L121 VanDerWaalsContact C-N 3.29Å; D119-L121 PolarHBondContact O-N 3.47Å
120	A	38.3	Very low	52.1	Low	64 Å²	64	110.7 Å²	110.7	53%	0.529	57%	0.566	S	S	.	*	H	α-helix	trans	-74.2	-13.6	176.9	0	0	0	0	0	114.1	D117 D118 Q124	D117-A120 PolarHBondContact O-N 3.12Å; D118-A120 PolarHBondContact O-N 3.43Å; A120-Q124 PolarHBondContact O-NE2 3.16Å
121	L	37.9	Very low	54.9	Low	72 Å²	72	108.1 Å²	108.1	38%	0.377	54%	0.543	S	S	.	.	H	α-helix	trans	-90.2	-31	177.4	-96.2	73.3	0	0	0	113.6	D118 D119 R123 Q124	D118-L121 PolarHBondContact O-N 2.91Å; D119-L121 VanDerWaalsContact C-N 3.29Å; D119-L121 PolarHBondContact O-N 3.47Å; L121-R123 PolarHBondContact O-N 2.9Å; L121-Q124 WeakPolarHBondContact O-CB 3.25Å; L121-Q124 WeakPolarHBondContact O-CG 3.4Å; L121-Q124 PolarHBondContact O-N 3.37Å
122	E	41.4	Very low	57.5	Low	155 Å²	155	102 Å²	102	72%	0.724	51%	0.509	S	S	*	.	H	α-helix	trans	-64.9	-23.3	-174	-70.1	-147.9	131.9	0	0	113.8
123	R	50	Low	60	Low	232 Å²	232	94.7 Å²	94.7	88%	0.875	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	14.5	-179.8	-63	-175.7	179.5	175.6	1.1	114.5	L121 F125	L121-R123 PolarHBondContact O-N 2.9Å; R123-F125 VanDerWaalsContact C-N 3.33Å; R123-F125 PolarHBondContact O-N 3.06Å
124	Q	65.4	Low	62.4	Low	96 Å²	96	92 Å²	92	45%	0.449	45%	0.454	S	S	.	.	S	Bend	trans	-83.4	-0.7	-178.8	-65.7	-175.4	11.5	0	0	114.6	A120 L121 P149 F415	A120-Q124 PolarHBondContact O-NE2 3.16Å; L121-Q124 WeakPolarHBondContact O-CB 3.25Å; L121-Q124 WeakPolarHBondContact O-CG 3.4Å; L121-Q124 PolarHBondContact O-N 3.37Å; Q124-P149 VanDerWaalsContact O-CD 3.24Å; Q124-P149 WeakPolarHBondContact O-CD 3.44Å; Q124-P149 WeakPolarHBondContact O-CG 3.23Å; Q124-F415 WeakPolarHBondContact O-CZ 3.4Å
125	F	77	Confident	64.2	Low	106 Å²	106	90 Å²	90	47%	0.465	45%	0.449	S	S	.	.			trans	-144.3	158.3	175	64.4	-87.5	0	0	0	112	R123 K127 L146 V147 T148	R123-F125 VanDerWaalsContact C-N 3.33Å; R123-F125 PolarHBondContact O-N 3.06Å; F125-K127 HydrophobicContact CD2-CB 4.4Å; F125-K127 HydrophobicContact CE2-CB 4.37Å; F125-L146 HydrophobicContact CB-CD1 4.46Å; F125-L146 HydrophobicContact CD2-CD1 3.64Å; F125-L146 HydrophobicContact CE2-CD1 4.31Å; F125-L146 HydrophobicContact CG-CD1 4.35Å; F125-V147 CarbonylContact C-O 3.49Å; F125-V147 WeakPolarHBondContact CA-O 3.35Å; F125-V147 VanDerWaalsContact CB-O 3.29Å; F125-V147 WeakPolarHBondContact CB-O 3.39Å; F125-T148 HydrophobicContact CB-CG2 4.34Å
126	V	82.5	Confident	65.7	Low	23 Å²	23	85.1 Å²	85.1	14%	0.139	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.7	172	166.5	0	0	0	0	108.6	V128 L146 V147 Q411 V412 F415	V126-V128 HydrophobicContact CG1-CG1 3.84Å; V126-L146 CarbonylContact O-C 3.53Å; V126-L146 WeakPolarHBondContact O-CA 3.37Å; V126-V147 HydrophobicContact CB-CB 4.32Å; V126-V147 HydrophobicContact CB-CG2 4.43Å; V126-V147 PolarHBondContact N-O 3.19Å; V126-V147 PolarHBondContact O-N 3.06Å; V126-Q411 HydrophobicContact CG1-CB 4.21Å; V126-V412 HydrophobicContact CG1-CG2 4.04Å; V126-F415 HydrophobicContact CB-CD2 4.38Å; V126-F415 HydrophobicContact CG2-CB 4.03Å; V126-F415 HydrophobicContact CG2-CD2 3.62Å; V126-F415 HydrophobicContact CG2-CE2 4.45Å; V126-F415 HydrophobicContact CG2-CG 4.09Å
127	K	87.8	Confident	67.4	Low	137 Å²	137	80.9 Å²	80.9	60%	0.596	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	117.7	176.8	-174.9	-170.5	178	-172.8	0	109.2	F125 V144 L145 L146	F125-K127 HydrophobicContact CD2-CB 4.4Å; F125-K127 HydrophobicContact CE2-CB 4.37Å; K127-V144 HydrophobicContact CD-CG1 4.21Å; K127-V144 HydrophobicContact CG-CG1 3.55Å; K127-L145 WeakPolarHBondContact CA-O 3.32Å; K127-L146 HydrophobicContact CB-CD1 3.95Å; K127-L146 HydrophobicContact CG-CD1 4.26Å
128	V	88.3	Confident	68.9	Low	4 Å²	4	81.9 Å²	81.9	2%	0.024	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.6	-178.3	-59.9	0	0	0	0	111	V126 V144 L145 L404 R408 V412	V126-V128 HydrophobicContact CG1-CG1 3.84Å; V128-V144 CarbonylContact O-C 3.51Å; V128-L145 HydrophobicContact CG2-CB 3.93Å; V128-L145 HydrophobicContact CG2-CD2 4.37Å; V128-L145 PolarHBondContact N-O 2.99Å; V128-L145 PolarHBondContact O-N 2.95Å; V128-L404 HydrophobicContact CB-CD2 4.43Å; V128-L404 HydrophobicContact CG2-CD2 3.43Å; V128-L404 VanDerWaalsContact CG2-CD2 3.43Å; V128-R408 HydrophobicContact CB-CB 4.03Å; V128-R408 HydrophobicContact CB-CG 4.21Å; V128-R408 HydrophobicContact CG1-CB 3.9Å; V128-R408 HydrophobicContact CG1-CG 4.11Å; V128-R408 HydrophobicContact CG2-CB 4.48Å; V128-V412 HydrophobicContact CG2-CG2 3.65Å
129	N	88.4	Confident	70.5	Confident	115 Å²	115	81.8 Å²	81.8	62%	0.615	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	140	169	-61.9	4.2	0	0	0	108.7	G143	N129-G143 WeakPolarHBondContact CA-O 3.34Å
130	A	90.6	Very high	72.5	Confident	1 Å²	1	78 Å²	78	1%	0.008	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.9	-178.1	0	0	0	0	0	110.6	G143 L145 F154 R403 L404	A130-G143 PolarHBondContact N-O 3.05Å; A130-G143 PolarHBondContact O-N 3.05Å; A130-G143 VanDerWaalsContact O-N 3.16Å; A130-G143 VanDerWaalsContact O-O 3.12Å; A130-L145 HydrophobicContact CB-CB 3.96Å; A130-F154 HydrophobicContact CB-CE2 4.38Å; A130-F154 WeakPolarHBondContact O-CE2 3.34Å; A130-R403 WeakPolarHBondContact CA-O 3.26Å; A130-L404 HydrophobicContact CB-CD2 3.9Å; A130-L404 HydrophobicContact CB-CG 3.82Å
131	F	90.1	Very high	74.6	Confident	65 Å²	65	75.2 Å²	75.2	29%	0.285	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.7	172.6	-58.4	-90.7	0	0	0	110.7	L140 I141 D142 F402 R403	F131-L140 HydrophobicContact CB-CB 4.18Å; F131-L140 HydrophobicContact CB-CD2 3.9Å; F131-L140 HydrophobicContact CB-CG 4.45Å; F131-L140 HydrophobicContact CD1-CB 4.4Å; F131-I141 CarbonylContact C-O 3.52Å; F131-I141 WeakPolarHBondContact CA-O 3.39Å; F131-D142 HydrophobicContact CD1-CB 3.93Å; F131-D142 HydrophobicContact CE1-CB 3.77Å; F131-F402 CarbonylContact O-C 3.49Å; F131-F402 WeakPolarHBondContact O-CA 3.45Å; F131-R403 HydrophobicContact CB-CB 4.16Å; F131-R403 PolarHBondContact N-O 3.47Å; F131-R403 PolarHBondContact O-N 3.39Å
132	R	87.4	Confident	76.7	Confident	15 Å²	15	74.9 Å²	74.9	6%	0.057	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.7	174.7	-176.2	172.3	164	-137.9	-5	111.1	I141 F154 N220 L221 F402	R132-I141 PolarHBondContact N-O 3.47Å; R132-I141 PolarHBondContact O-N 3.04Å; R132-F154 HydrophobicContact CB-CD1 4.1Å; R132-F154 HydrophobicContact CB-CE1 3.51Å; R132-F154 HydrophobicContact CB-CE2 4.27Å; R132-F154 HydrophobicContact CB-CZ 3.62Å; R132-F154 HydrophobicContact CG-CE1 4.41Å; R132-N220 PolarHBondContact NH1-O 3.29Å; R132-L221 PolarHBondContact NH1-O 3.14Å; R132-L221 VanDerWaalsContact NH1-O 3.13Å; R132-F402 HydrophobicContact CB-CD1 3.91Å; R132-F402 HydrophobicContact CB-CE1 4.02Å; R132-F402 HydrophobicContact CG-CD1 4.12Å; R132-F402 HydrophobicContact CG-CE1 3.93Å
133	V	86.6	Confident	78.7	Confident	12 Å²	12	68 Å²	68	7%	0.073	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.3	173.1	-170.6	0	0	0	0	109	L140 L245 Y389 I401	V133-L140 HydrophobicContact CG2-CD2 3.78Å; V133-L245 HydrophobicContact CG1-CD1 4.3Å; V133-L245 HydrophobicContact CG1-CD2 4.41Å; V133-Y389 HydrophobicContact CG2-CD1 4.14Å; V133-Y389 HydrophobicContact CG2-CE1 4.13Å; V133-I401 HydrophobicContact CB-CB 4.19Å; V133-I401 HydrophobicContact CB-CG2 4.46Å; V133-I401 HydrophobicContact CG2-CB 4.17Å; V133-I401 HydrophobicContact CG2-CG2 3.91Å; V133-I401 PolarHBondContact N-O 3.08Å
134	L	78.1	Confident	80.3	Confident	59 Å²	59	58.4 Å²	58.4	31%	0.309	29%	0.293	S	S	.	.	S	Bend	trans	-110.2	-64.6	172	-71.1	-165.4	0	0	0	114.7	N139 I141	L134-N139 PolarHBondContact N-O 3.14Å; L134-I141 HydrophobicContact CD1-CD1 3.47Å; L134-I141 VanDerWaalsContact CD1-CD1 3.47Å; L134-I141 HydrophobicContact CD2-CD1 4.11Å; L134-I141 HydrophobicContact CG-CD1 3.55Å
135	K	70.2	Confident	81.5	Confident	137 Å²	137	53.8 Å²	53.8	60%	0.596	27%	0.272	S	S	*	.	S	Bend	trans	-124.5	-29.4	-167.6	-66.4	179.3	177.5	179.4	0	113.5	E217	K135-E217 IonicContact NZ-OE1 2.73Å; K135-E217 PolarHBondContact NZ-OE1 3.15Å
136	S	67.4	Low	82	Confident	26 Å²	26	49.6 Å²	49.6	18%	0.182	25%	0.254	C	S	.	.	S	Bend	trans	-153.3	170.3	173.6	73.8	0	0	0	0	109.1	D138 N139	S136-D138 WeakPolarHBondContact CB-OD2 3.18Å; S136-D138 PolarHBondContact O-N 3.07Å; S136-D138 PolarHBondContact OG-N 3.21Å; S136-D138 PolarHBondContact OG-OD2 3.22Å; S136-N139 PolarHBondContact O-N 3.04Å; S136-N139 VanDerWaalsContact O-N 3.1Å; S136-N139 PolarHBondContact OG-N 3.38Å; S136-N139 PolarHBondContact OG-ND2 3.09Å
137	L	73	Confident	82.2	Confident	35 Å²	35	48.5 Å²	48.5	18%	0.183	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.8	175.1	-78.6	157.1	0	0	0	113.4	L140 E238 V241 I242 L245 Y389	L137-L140 WeakPolarHBondContact O-CD1 3.38Å; L137-L140 WeakPolarHBondContact O-CG 3.38Å; L137-E238 HydrophobicContact CD1-CG 4.25Å; L137-V241 HydrophobicContact CD1-CG1 4.33Å; L137-V241 HydrophobicContact CD2-CB 4.48Å; L137-V241 HydrophobicContact CD2-CG1 3.9Å; L137-V241 HydrophobicContact CG-CG1 4.18Å; L137-I242 HydrophobicContact CD1-CB 4.49Å; L137-I242 HydrophobicContact CD1-CD1 4.26Å; L137-I242 HydrophobicContact CD1-CG1 3.37Å; L137-L245 HydrophobicContact CD1-CD1 4.37Å; L137-L245 HydrophobicContact CG-CD1 4.03Å; L137-Y389 HydrophobicContact CD2-CE1 3.65Å; L137-Y389 WeakPolarHBondContact CD2-OH 3.17Å
138	D	69.5	Low	81.9	Confident	145 Å²	145	43.5 Å²	43.5	78%	0.775	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-25.4	170	-24.7	-93	0	0	0	111.5	S136 L140	S136-D138 WeakPolarHBondContact CB-OD2 3.18Å; S136-D138 PolarHBondContact O-N 3.07Å; S136-D138 PolarHBondContact OG-N 3.21Å; S136-D138 PolarHBondContact OG-OD2 3.22Å; D138-L140 PolarHBondContact O-N 3.19Å
139	N	71.4	Confident	81.3	Confident	90 Å²	90	46.3 Å²	46.3	48%	0.481	25%	0.247	S	C	.	.			trans	-95.9	61.7	-178.9	-73.6	-80.2	0	0	0	111.1	L134 S136	L134-N139 PolarHBondContact N-O 3.14Å; S136-N139 PolarHBondContact O-N 3.04Å; S136-N139 VanDerWaalsContact O-N 3.1Å; S136-N139 PolarHBondContact OG-N 3.38Å; S136-N139 PolarHBondContact OG-ND2 3.09Å
140	L	81.7	Confident	80.7	Confident	49 Å²	49	47.6 Å²	47.6	26%	0.257	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.3	174	-71.7	169	0	0	0	110.8	F131 V133 L137 D138 R403	F131-L140 HydrophobicContact CB-CB 4.18Å; F131-L140 HydrophobicContact CB-CD2 3.9Å; F131-L140 HydrophobicContact CB-CG 4.45Å; F131-L140 HydrophobicContact CD1-CB 4.4Å; V133-L140 HydrophobicContact CG2-CD2 3.78Å; L137-L140 WeakPolarHBondContact O-CD1 3.38Å; L137-L140 WeakPolarHBondContact O-CG 3.38Å; D138-L140 PolarHBondContact O-N 3.19Å; L140-R403 VanDerWaalsContact CD1-NH1 3.33Å
141	I	81	Confident	80.3	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.8	172.2	-65.7	160.4	0	0	0	108.5	F131 R132 L134 F154 A156 T159 L221	F131-I141 CarbonylContact C-O 3.52Å; F131-I141 WeakPolarHBondContact CA-O 3.39Å; R132-I141 PolarHBondContact N-O 3.47Å; R132-I141 PolarHBondContact O-N 3.04Å; L134-I141 HydrophobicContact CD1-CD1 3.47Å; L134-I141 VanDerWaalsContact CD1-CD1 3.47Å; L134-I141 HydrophobicContact CD2-CD1 4.11Å; L134-I141 HydrophobicContact CG-CD1 3.55Å; I141-F154 HydrophobicContact CG2-CE1 3.93Å; I141-F154 HydrophobicContact CG2-CZ 4.17Å; I141-A156 HydrophobicContact CG2-CB 3.41Å; I141-A156 VanDerWaalsContact CG2-CB 3.41Å; I141-T159 HydrophobicContact CG2-CG2 4.14Å; I141-L221 HydrophobicContact CD1-CD2 3.34Å; I141-L221 HydrophobicContact CG1-CD2 3.85Å; I141-L221 HydrophobicContact CG2-CD2 4.33Å
142	D	83.6	Confident	80.1	Confident	65 Å²	65	45.7 Å²	45.7	35%	0.348	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	149.5	169.1	-172	24.7	0	0	0	111.1	F131 T159	F131-D142 HydrophobicContact CD1-CB 3.93Å; F131-D142 HydrophobicContact CE1-CB 3.77Å; D142-T159 PolarHBondContact O-OG1 3.34Å
143	G	82.9	Confident	80.1	Confident	9 Å²	9	45 Å²	45	9%	0.093	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	177.8	-177.6	0	0	0	0	0	114.3	N129 A130 D155	N129-G143 WeakPolarHBondContact CA-O 3.34Å; A130-G143 PolarHBondContact N-O 3.05Å; A130-G143 PolarHBondContact O-N 3.05Å; A130-G143 VanDerWaalsContact O-N 3.16Å; A130-G143 VanDerWaalsContact O-O 3.12Å; G143-D155 CarbonylContact C-O 3.5Å; G143-D155 WeakPolarHBondContact CA-O 3.35Å
144	V	84.4	Confident	80.1	Confident	31 Å²	31	44.5 Å²	44.5	19%	0.188	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.7	179.2	179.2	0	0	0	0	108.9	K127 V128 F154 D155	K127-V144 HydrophobicContact CD-CG1 4.21Å; K127-V144 HydrophobicContact CG-CG1 3.55Å; V128-V144 CarbonylContact O-C 3.51Å; V144-F154 WeakPolarHBondContact O-CA 3.4Å; V144-D155 PolarHBondContact N-O 2.99Å; V144-D155 PolarHBondContact O-N 3.1Å
145	L	90.1	Very high	80.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.6	166.4	-164.3	76.4	0	0	0	108.8	K127 V128 A130 L152 C153 F154 F402 L404 V412	K127-L145 WeakPolarHBondContact CA-O 3.32Å; V128-L145 HydrophobicContact CG2-CB 3.93Å; V128-L145 HydrophobicContact CG2-CD2 4.37Å; V128-L145 PolarHBondContact N-O 2.99Å; V128-L145 PolarHBondContact O-N 2.95Å; A130-L145 HydrophobicContact CB-CB 3.96Å; L145-L152 HydrophobicContact CD1-CD1 4.44Å; L145-L152 HydrophobicContact CD1-CD2 4.04Å; L145-L152 HydrophobicContact CD1-CG 4.17Å; L145-L152 HydrophobicContact CD2-CD1 4.4Å; L145-C153 CarbonylContact C-O 3.57Å; L145-C153 WeakPolarHBondContact CA-O 3.38Å; L145-C153 WeakPolarHBondContact CD1-O 3.49Å; L145-F154 HydrophobicContact CB-CD2 4.46Å; L145-F154 HydrophobicContact CD1-CB 4.13Å; L145-F154 HydrophobicContact CD1-CD2 4.15Å; L145-F402 HydrophobicContact CD1-CD1 4.01Å; L145-F402 HydrophobicContact CD1-CE1 3.86Å; L145-F402 HydrophobicContact CD1-CG 4.4Å; L145-F402 HydrophobicContact CD1-CZ 4.12Å; L145-L404 HydrophobicContact CD2-CD1 4.49Å; L145-L404 HydrophobicContact CD2-CD2 4.11Å; L145-V412 HydrophobicContact CD2-CG1 4.03Å; L145-V412 HydrophobicContact CD2-CG2 3.96Å
146	L	86.2	Confident	80.5	Confident	18 Å²	18	38.1 Å²	38.1	9%	0.094	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.4	175.4	-177.9	74.7	0	0	0	108.7	F102 F125 V126 K127 T148 C153	F102-L146 HydrophobicContact CE1-CD2 3.88Å; F102-L146 HydrophobicContact CZ-CD2 4.15Å; F125-L146 HydrophobicContact CB-CD1 4.46Å; F125-L146 HydrophobicContact CD2-CD1 3.64Å; F125-L146 HydrophobicContact CE2-CD1 4.31Å; F125-L146 HydrophobicContact CG-CD1 4.35Å; V126-L146 CarbonylContact O-C 3.53Å; V126-L146 WeakPolarHBondContact O-CA 3.37Å; K127-L146 HydrophobicContact CB-CD1 3.95Å; K127-L146 HydrophobicContact CG-CD1 4.26Å; L146-T148 HydrophobicContact CD2-CG2 4.05Å; L146-T148 HydrophobicContact CG-CG2 4.04Å; L146-C153 HydrophobicContact CB-CB 4.41Å; L146-C153 PolarHBondContact N-O 3.38Å; L146-C153 PolarHBondContact O-N 3.34Å
147	V	87.7	Confident	80.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121	174.7	-157.5	0	0	0	0	108.4	F125 V126 L152 V412 F415 L416	F125-V147 CarbonylContact C-O 3.49Å; F125-V147 WeakPolarHBondContact CA-O 3.35Å; F125-V147 VanDerWaalsContact CB-O 3.29Å; F125-V147 WeakPolarHBondContact CB-O 3.39Å; V126-V147 HydrophobicContact CB-CB 4.32Å; V126-V147 HydrophobicContact CB-CG2 4.43Å; V126-V147 PolarHBondContact N-O 3.19Å; V126-V147 PolarHBondContact O-N 3.06Å; V147-L152 HydrophobicContact CG1-CB 4.31Å; V147-L152 HydrophobicContact CG1-CD1 4.39Å; V147-L152 HydrophobicContact CG2-CD1 4.1Å; V147-V412 HydrophobicContact CG2-CG1 4.12Å; V147-V412 HydrophobicContact CG2-CG2 4.18Å; V147-F415 HydrophobicContact CB-CD1 4.01Å; V147-F415 HydrophobicContact CB-CE1 4.37Å; V147-F415 HydrophobicContact CB-CG 4.44Å; V147-F415 HydrophobicContact CG1-CD1 3.41Å; V147-F415 VanDerWaalsContact CG1-CD1 3.41Å; V147-F415 HydrophobicContact CG1-CE1 3.83Å; V147-F415 HydrophobicContact CG1-CG 4.22Å; V147-L416 HydrophobicContact CG1-CD2 3.81Å; V147-L416 HydrophobicContact CG1-CG 4.29Å
148	T	80.4	Confident	80	Confident	32 Å²	32	44.8 Å²	44.8	20%	0.196	24%	0.244	C	C	.	.			trans	-116.5	167.6	176.8	72.8	0	0	0	0	109.1	F125 L146 E150 S151 L227 F415	F125-T148 HydrophobicContact CB-CG2 4.34Å; L146-T148 HydrophobicContact CD2-CG2 4.05Å; L146-T148 HydrophobicContact CG-CG2 4.04Å; T148-E150 PolarHBondContact O-N 3.31Å; T148-S151 PolarHBondContact N-O 2.86Å; T148-S151 PolarHBondContact O-N 3.07Å; T148-S151 PolarHBondContact OG1-N 2.82Å; T148-S151 VanDerWaalsContact OG1-N 3.14Å; T148-S151 PolarHBondContact OG1-O 2.95Å; T148-S151 PolarHBondContact OG1-OG 3.07Å; T148-L227 WeakPolarHBondContact O-CD1 3.31Å; T148-F415 VanDerWaalsContact C-CE1 3.49Å; T148-F415 WeakPolarHBondContact O-CE1 3.34Å
149	P	77.2	Confident	79.9	Confident	63 Å²	63	39.1 Å²	39.1	41%	0.409	22%	0.215	S	C	.	.	S	Bend	trans	-62.9	-17.8	-174.6	-22.4	35.5	0	0	0	114.5	Q124 F415	Q124-P149 VanDerWaalsContact O-CD 3.24Å; Q124-P149 WeakPolarHBondContact O-CD 3.44Å; Q124-P149 WeakPolarHBondContact O-CG 3.23Å; P149-F415 HydrophobicContact CG-CZ 4.22Å
150	E	74.3	Confident	79.5	Confident	142 Å²	142	36.3 Å²	36.3	66%	0.664	20%	0.204	S	C	*	.	S	Bend	trans	-116.2	-23.7	-175	-48.6	-66.5	142.5	0	0	112.6	T148 L227	T148-E150 PolarHBondContact O-N 3.31Å; E150-L227 PolarHBondContact O-N 3.21Å
151	S	82.3	Confident	78.5	Confident	25 Å²	25	37.8 Å²	37.8	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.2	179.7	68.8	0	0	0	0	115.1	T148 C153 I225	T148-S151 PolarHBondContact N-O 2.86Å; T148-S151 PolarHBondContact O-N 3.07Å; T148-S151 PolarHBondContact OG1-N 2.82Å; T148-S151 VanDerWaalsContact OG1-N 3.14Å; T148-S151 PolarHBondContact OG1-O 2.95Å; T148-S151 PolarHBondContact OG1-OG 3.07Å; S151-C153 PolarHBondContact OG-SG 3.08Å; S151-I225 CarbonylContact C-O 3.41Å; S151-I225 WeakPolarHBondContact CA-O 3.44Å; S151-I225 VanDerWaalsContact CB-O 3.26Å; S151-I225 WeakPolarHBondContact CB-O 3.37Å
152	L	87.7	Confident	77.7	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.1	165.4	173.9	143.1	0	0	0	109.1	L145 V147 I225 L227 I230 I392 F402 L416	L145-L152 HydrophobicContact CD1-CD1 4.44Å; L145-L152 HydrophobicContact CD1-CD2 4.04Å; L145-L152 HydrophobicContact CD1-CG 4.17Å; L145-L152 HydrophobicContact CD2-CD1 4.4Å; V147-L152 HydrophobicContact CG1-CB 4.31Å; V147-L152 HydrophobicContact CG1-CD1 4.39Å; V147-L152 HydrophobicContact CG2-CD1 4.1Å; L152-I225 HydrophobicContact CD2-CD1 3.81Å; L152-I225 HydrophobicContact CD2-CG1 4.42Å; L152-I225 PolarHBondContact N-O 3.22Å; L152-I225 WeakPolarHBondContact O-CB 3.44Å; L152-I225 PolarHBondContact O-N 2.88Å; L152-L227 HydrophobicContact CB-CD2 3.67Å; L152-I230 HydrophobicContact CB-CD1 4.5Å; L152-I392 HydrophobicContact CD1-CD1 3.6Å; L152-I392 HydrophobicContact CD2-CD1 3.69Å; L152-I392 HydrophobicContact CG-CD1 4.31Å; L152-F402 HydrophobicContact CD2-CE2 4.43Å; L152-F402 HydrophobicContact CD2-CZ 4.5Å; L152-L416 HydrophobicContact CB-CD2 4.48Å; L152-L416 HydrophobicContact CD1-CD1 3.99Å; L152-L416 HydrophobicContact CD1-CD2 3.95Å; L152-L416 HydrophobicContact CD1-CG 4.45Å
153	C	86	Confident	76.8	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.9	-170.6	-61	0	0	0	0	111.1	F102 L145 L146 S151 L223	F102-C153 HydrophobicContact CE2-CB 3.56Å; F102-C153 VanDerWaalsContact CE2-SG 3.58Å; F102-C153 HydrophobicContact CZ-CB 3.39Å; L145-C153 CarbonylContact C-O 3.57Å; L145-C153 WeakPolarHBondContact CA-O 3.38Å; L145-C153 WeakPolarHBondContact CD1-O 3.49Å; L146-C153 HydrophobicContact CB-CB 4.41Å; L146-C153 PolarHBondContact N-O 3.38Å; L146-C153 PolarHBondContact O-N 3.34Å; S151-C153 PolarHBondContact OG-SG 3.08Å; C153-L223 CarbonylContact C-O 3.57Å; C153-L223 VanDerWaalsContact CA-O 3.26Å; C153-L223 WeakPolarHBondContact CA-O 3.34Å
154	F	87	Confident	75.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.2	175.4	-177.4	-108.6	0	0	0	109.6	A130 R132 I141 V144 L145 A156 L221 G222 L223 F402	A130-F154 HydrophobicContact CB-CE2 4.38Å; A130-F154 WeakPolarHBondContact O-CE2 3.34Å; R132-F154 HydrophobicContact CB-CD1 4.1Å; R132-F154 HydrophobicContact CB-CE1 3.51Å; R132-F154 HydrophobicContact CB-CE2 4.27Å; R132-F154 HydrophobicContact CB-CZ 3.62Å; R132-F154 HydrophobicContact CG-CE1 4.41Å; I141-F154 HydrophobicContact CG2-CE1 3.93Å; I141-F154 HydrophobicContact CG2-CZ 4.17Å; V144-F154 WeakPolarHBondContact O-CA 3.4Å; L145-F154 HydrophobicContact CB-CD2 4.46Å; L145-F154 HydrophobicContact CD1-CB 4.13Å; L145-F154 HydrophobicContact CD1-CD2 4.15Å; F154-A156 HydrophobicContact CD1-CB 4.44Å; F154-A156 HydrophobicContact CE1-CB 3.82Å; F154-A156 HydrophobicContact CZ-CB 4.39Å; F154-L221 WeakPolarHBondContact CD1-O 3.24Å; F154-L221 WeakPolarHBondContact CE1-O 3.38Å; F154-G222 CarbonylContact O-C 3.51Å; F154-G222 WeakPolarHBondContact O-CA 3.38Å; F154-L223 HydrophobicContact CB-CB 4.35Å; F154-L223 PolarHBondContact N-O 2.86Å; F154-L223 PolarHBondContact O-N 2.99Å; F154-F402 HydrophobicContact CB-CE1 3.79Å; F154-F402 HydrophobicContact CB-CZ 4.35Å; F154-F402 HydrophobicContact CD1-CE1 4.25Å; F154-F402 HydrophobicContact CD2-CD1 4.03Å; F154-F402 AromaticContact CD2-CE1 3.78Å; F154-F402 HydrophobicContact CD2-CE1 3.78Å; F154-F402 HydrophobicContact CE2-CD1 4.36Å; F154-F402 HydrophobicContact CE2-CE1 4.44Å; F154-F402 HydrophobicContact CG-CD1 4.37Å; F154-F402 AromaticContact CG-CE1 3.68Å; F154-F402 HydrophobicContact CG-CE1 3.68Å
155	D	78.3	Confident	74.7	Confident	59 Å²	59	50.3 Å²	50.3	32%	0.316	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.8	173.4	177.4	34.6	0	0	0	111.1	G143 V144 S157	G143-D155 CarbonylContact C-O 3.5Å; G143-D155 WeakPolarHBondContact CA-O 3.35Å; V144-D155 PolarHBondContact N-O 2.99Å; V144-D155 PolarHBondContact O-N 3.1Å; D155-S157 WeakPolarHBondContact OD1-CA 3.36Å; D155-S157 WeakPolarHBondContact OD1-CB 3.45Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.94Å; D155-S157 VanDerWaalsContact OD2-CB 3.32Å; D155-S157 WeakPolarHBondContact OD2-CB 3.29Å; D155-S157 PolarHBondContact OD2-OG 3.09Å
156	A	78.1	Confident	73.5	Confident	3 Å²	3	53 Å²	53	3%	0.025	30%	0.296	C	S	.	.			trans	-109.6	26.1	175.5	0	0	0	0	0	112	I141 F154 Q158 T159 A160 L221	I141-A156 HydrophobicContact CG2-CB 3.41Å; I141-A156 VanDerWaalsContact CG2-CB 3.41Å; F154-A156 HydrophobicContact CD1-CB 4.44Å; F154-A156 HydrophobicContact CE1-CB 3.82Å; F154-A156 HydrophobicContact CZ-CB 4.39Å; A156-Q158 PolarHBondContact O-N 3.5Å; A156-Q158 VanDerWaalsContact O-N 3.11Å; A156-T159 PolarHBondContact O-N 2.95Å; A156-A160 PolarHBondContact O-N 2.97Å; A156-L221 HydrophobicContact CB-CB 3.94Å
157	S	64.9	Low	72.4	Confident	52 Å²	52	56.5 Å²	56.5	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-45	-42.5	-177.7	52	0	0	0	0	114.3	D155 A160 V161	D155-S157 WeakPolarHBondContact OD1-CA 3.36Å; D155-S157 WeakPolarHBondContact OD1-CB 3.45Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.94Å; D155-S157 VanDerWaalsContact OD2-CB 3.32Å; D155-S157 WeakPolarHBondContact OD2-CB 3.29Å; D155-S157 PolarHBondContact OD2-OG 3.09Å; S157-A160 PolarHBondContact O-N 3.04Å; S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 3.36Å
158	Q	65.3	Low	71.2	Confident	150 Å²	150	61 Å²	61	70%	0.701	33%	0.331	S	S	*	.	H	α-helix	trans	-64.6	-49.2	176.9	-66.6	-172.4	75.1	0	0	112.3	A156 A160 V161 A162	A156-Q158 PolarHBondContact O-N 3.5Å; A156-Q158 VanDerWaalsContact O-N 3.11Å; Q158-A160 VanDerWaalsContact C-N 3.32Å; Q158-A160 PolarHBondContact O-N 3.3Å; Q158-V161 PolarHBondContact O-N 3.41Å; Q158-A162 WeakPolarHBondContact O-CB 3.2Å; Q158-A162 PolarHBondContact O-N 3.46Å
159	T	67.3	Low	70.6	Confident	26 Å²	26	62.8 Å²	62.8	16%	0.16	35%	0.35	C	S	.	.	H	α-helix	trans	-64.4	-36	175.3	-55.9	0	0	0	0	111.8	I141 D142 A156 A162 Q163	I141-T159 HydrophobicContact CG2-CG2 4.14Å; D142-T159 PolarHBondContact O-OG1 3.34Å; A156-T159 PolarHBondContact O-N 2.95Å; T159-A162 PolarHBondContact O-N 3.04Å; T159-Q163 HydrophobicContact CG2-CG 4.08Å; T159-Q163 WeakPolarHBondContact O-CB 3.26Å; T159-Q163 WeakPolarHBondContact O-CG 3.5Å; T159-Q163 PolarHBondContact O-N 3.14Å
160	A	62.8	Low	70.1	Confident	30 Å²	30	63.8 Å²	63.8	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-43	175.8	0	0	0	0	0	112.4	A156 S157 Q158 K164 L221	A156-A160 PolarHBondContact O-N 2.97Å; S157-A160 PolarHBondContact O-N 3.04Å; Q158-A160 VanDerWaalsContact C-N 3.32Å; Q158-A160 PolarHBondContact O-N 3.3Å; A160-K164 WeakPolarHBondContact O-CB 3.2Å; A160-K164 PolarHBondContact O-N 3.33Å; A160-L221 VanDerWaalsContact CA-CD1 3.42Å; A160-L221 HydrophobicContact CB-CD1 3.47Å; A160-L221 VanDerWaalsContact CB-CD1 3.47Å
161	V	61.3	Low	69.5	Low	81 Å²	81	61.4 Å²	61.4	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-66.1	-45.9	174	170.1	0	0	0	0	110.8	S157 Q158 K164 Q165	S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 3.36Å; Q158-V161 PolarHBondContact O-N 3.41Å; V161-K164 PolarHBondContact O-N 2.99Å; V161-Q165 HydrophobicContact CG1-CG 4.45Å; V161-Q165 WeakPolarHBondContact O-CB 3.39Å; V161-Q165 VanDerWaalsContact O-CG 3.31Å; V161-Q165 WeakPolarHBondContact O-CG 3.34Å; V161-Q165 PolarHBondContact O-N 3.33Å
162	A	64	Low	68	Low	51 Å²	51	63.4 Å²	63.4	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-45	179.8	0	0	0	0	0	112.5	Q158 T159 Q165 A166	Q158-A162 WeakPolarHBondContact O-CB 3.2Å; Q158-A162 PolarHBondContact O-N 3.46Å; T159-A162 PolarHBondContact O-N 3.04Å; A162-Q165 PolarHBondContact O-N 2.83Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.21Å
163	Q	65.1	Low	65.8	Low	79 Å²	79	71.7 Å²	71.7	37%	0.369	40%	0.4	S	S	.	.	H	α-helix	trans	-67.9	-36.7	176.2	-71.4	-179.8	-12.8	0	0	111.9	T159 A166 Y167 L218	T159-Q163 HydrophobicContact CG2-CG 4.08Å; T159-Q163 WeakPolarHBondContact O-CB 3.26Å; T159-Q163 WeakPolarHBondContact O-CG 3.5Å; T159-Q163 PolarHBondContact O-N 3.14Å; Q163-A166 PolarHBondContact O-N 3.18Å; Q163-Y167 VanDerWaalsContact O-CB 3.28Å; Q163-Y167 WeakPolarHBondContact O-CB 3.43Å; Q163-Y167 PolarHBondContact O-N 2.97Å; Q163-L218 HydrophobicContact CB-CD2 3.57Å; Q163-L218 HydrophobicContact CG-CD2 4.48Å
164	K	59.3	Low	63.5	Low	117 Å²	117	79.2 Å²	79.2	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-42.9	171.4	-179.2	178.5	177.2	-179.5	0	111.8	A160 V161 Y167 I168 L218	A160-K164 WeakPolarHBondContact O-CB 3.2Å; A160-K164 PolarHBondContact O-N 3.33Å; V161-K164 PolarHBondContact O-N 2.99Å; K164-Y167 PolarHBondContact O-N 3.46Å; K164-I168 HydrophobicContact CG-CD1 4.1Å; K164-I168 WeakPolarHBondContact O-CD1 3.27Å; K164-I168 VanDerWaalsContact O-CG1 3.28Å; K164-I168 WeakPolarHBondContact O-CG1 3.49Å; K164-I168 PolarHBondContact O-N 2.85Å; K164-L218 HydrophobicContact CB-CD1 4.44Å
165	Q	64.2	Low	61	Low	126 Å²	126	84.2 Å²	84.2	59%	0.589	47%	0.474	S	S	*	.	H	α-helix	trans	-65.6	-43.3	176.1	-74.6	171.6	-14.3	0	0	111.8	V161 A162 I168 A169	V161-Q165 HydrophobicContact CG1-CG 4.45Å; V161-Q165 WeakPolarHBondContact O-CB 3.39Å; V161-Q165 VanDerWaalsContact O-CG 3.31Å; V161-Q165 WeakPolarHBondContact O-CG 3.34Å; V161-Q165 PolarHBondContact O-N 3.33Å; A162-Q165 PolarHBondContact O-N 2.83Å; Q165-I168 PolarHBondContact O-N 3.29Å; Q165-A169 WeakPolarHBondContact O-CB 3.43Å; Q165-A169 PolarHBondContact O-N 2.77Å
166	A	63.7	Low	58.8	Low	57 Å²	57	86.4 Å²	86.4	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-37.4	176.4	0	0	0	0	0	112.6	A162 Q163 A169 S170	A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.21Å; Q163-A166 PolarHBondContact O-N 3.18Å; A166-A169 PolarHBondContact O-N 3.18Å; A166-S170 WeakPolarHBondContact O-CB 3.39Å; A166-S170 PolarHBondContact O-N 3.35Å; A166-S170 PolarHBondContact O-OG 3.14Å
167	Y	64.2	Low	56.7	Low	91 Å²	91	91.1 Å²	91.1	36%	0.357	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-50.4	172.5	179.6	-96.8	0	0	0	111	Q163 K164 A169 S170 H171 P215	Q163-Y167 VanDerWaalsContact O-CB 3.28Å; Q163-Y167 WeakPolarHBondContact O-CB 3.43Å; Q163-Y167 PolarHBondContact O-N 2.97Å; K164-Y167 PolarHBondContact O-N 3.46Å; Y167-A169 PolarHBondContact O-N 2.94Å; Y167-S170 PolarHBondContact O-N 3.09Å; Y167-S170 PolarHBondContact O-OG 3.47Å; Y167-S170 VanDerWaalsContact O-OG 3.05Å; Y167-H171 AromaticContact CD2-CE1 3.56Å; Y167-H171 AromaticContact CD2-ND1 3.73Å; Y167-H171 AromaticContact CE2-CE1 3.4Å; Y167-H171 VanDerWaalsContact CE2-CE1 3.4Å; Y167-H171 WeakPolarHBondContact CE2-CE1 3.33Å; Y167-H171 AromaticContact CE2-ND1 3.75Å; Y167-H171 AromaticContact CE2-NE2 3.57Å; Y167-H171 WeakPolarHBondContact O-CB 3.48Å; Y167-H171 PolarHBondContact O-N 3.47Å; Y167-H171 VanDerWaalsContact O-N 3.08Å; Y167-H171 PolarHBondContact O-ND1 3.1Å; Y167-P215 HydrophobicContact CD2-CG 4.39Å; Y167-P215 HydrophobicContact CE2-CG 4.34Å
168	I	62.7	Low	55.4	Low	94 Å²	94	94.5 Å²	94.5	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-58	-50.1	175.7	-67.8	164.1	0	0	0	110.4	K164 Q165 S170 H171 S172	K164-I168 HydrophobicContact CG-CD1 4.1Å; K164-I168 WeakPolarHBondContact O-CD1 3.27Å; K164-I168 VanDerWaalsContact O-CG1 3.28Å; K164-I168 WeakPolarHBondContact O-CG1 3.49Å; K164-I168 PolarHBondContact O-N 2.85Å; Q165-I168 PolarHBondContact O-N 3.29Å; I168-S170 PolarHBondContact O-N 3.01Å; I168-H171 PolarHBondContact O-N 2.82Å; I168-S172 PolarHBondContact O-N 3.4Å; I168-S172 PolarHBondContact O-OG 2.89Å
169	A	66.9	Low	54	Low	70 Å²	70	97.2 Å²	97.2	58%	0.579	55%	0.546	S	S	*	.	H	α-helix	trans	-60.5	-40.9	-178.7	0	0	0	0	0	113.4	Q165 A166 Y167	Q165-A169 WeakPolarHBondContact O-CB 3.43Å; Q165-A169 PolarHBondContact O-N 2.77Å; A166-A169 PolarHBondContact O-N 3.18Å; Y167-A169 PolarHBondContact O-N 2.94Å
170	S	65.8	Low	52.3	Low	84 Å²	84	103.1 Å²	103.1	59%	0.587	58%	0.576	S	S	*	*	H	α-helix	trans	-75.7	-20.4	179.4	52.5	0	0	0	0	114.3	A166 Y167 I168	A166-S170 WeakPolarHBondContact O-CB 3.39Å; A166-S170 PolarHBondContact O-N 3.35Å; A166-S170 PolarHBondContact O-OG 3.14Å; Y167-S170 PolarHBondContact O-N 3.09Å; Y167-S170 PolarHBondContact O-OG 3.47Å; Y167-S170 VanDerWaalsContact O-OG 3.05Å; I168-S170 PolarHBondContact O-N 3.01Å
171	H	63.7	Low	51.1	Low	93 Å²	93	109.8 Å²	109.8	43%	0.431	61%	0.606	S	S	.	*	H	α-helix	trans	-103.6	0.6	179.1	-64.9	67	0	0	0	113	Y167 I168 E173 L174	Y167-H171 AromaticContact CD2-CE1 3.56Å; Y167-H171 AromaticContact CD2-ND1 3.73Å; Y167-H171 AromaticContact CE2-CE1 3.4Å; Y167-H171 VanDerWaalsContact CE2-CE1 3.4Å; Y167-H171 WeakPolarHBondContact CE2-CE1 3.33Å; Y167-H171 AromaticContact CE2-ND1 3.75Å; Y167-H171 AromaticContact CE2-NE2 3.57Å; Y167-H171 WeakPolarHBondContact O-CB 3.48Å; Y167-H171 PolarHBondContact O-N 3.47Å; Y167-H171 VanDerWaalsContact O-N 3.08Å; Y167-H171 PolarHBondContact O-ND1 3.1Å; I168-H171 PolarHBondContact O-N 2.82Å; H171-E173 PolarHBondContact O-N 3.43Å; H171-L174 PolarHBondContact O-N 2.84Å
172	S	50.6	Low	49.8	Very low	66 Å²	66	113.1 Å²	113.1	46%	0.462	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-62.2	-21.5	177	-70.6	0	0	0	0	114.9	I168 L174	I168-S172 PolarHBondContact O-N 3.4Å; I168-S172 PolarHBondContact O-OG 2.89Å; S172-L174 PolarHBondContact O-N 2.92Å
173	E	40.7	Very low	48.3	Very low	175 Å²	175	114.3 Å²	114.3	82%	0.818	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-80.6	7.4	179.1	-62.2	-161.9	149	0	0	113.8	H171	H171-E173 PolarHBondContact O-N 3.43Å
174	L	38.6	Very low	47	Very low	160 Å²	160	116.4 Å²	116.4	84%	0.838	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-107.7	25.3	174.1	-81.7	163.1	0	0	0	113.9	H171 S172	H171-L174 PolarHBondContact O-N 2.84Å; S172-L174 PolarHBondContact O-N 2.92Å
175	S	34.5	Very low	45.9	Very low	105 Å²	105	118.5 Å²	118.5	73%	0.734	66%	0.661	S	S	*	*	S	Bend	trans	-145.3	48.4	167.5	72.5	0	0	0	0	113.5
176	S	31	Very low	44.6	Very low	104 Å²	104	119.8 Å²	119.8	73%	0.727	67%	0.671	S	S	*	*			trans	-123.2	48.8	-179.3	64.8	0	0	0	0	113.5
177	S	35	Very low	43.2	Very low	102 Å²	102	126.1 Å²	126.1	71%	0.713	69%	0.688	S	S	*	*			trans	-138.9	152.7	168.9	56.1	0	0	0	0	111.4
178	D	36.4	Very low	41.6	Very low	124 Å²	124	127.2 Å²	127.2	66%	0.663	71%	0.705	S	S	*	*	S	Bend	trans	77.7	74.7	159.6	-64.8	13.5	0	0	0	119.3
179	Y	36.1	Very low	40.4	Very low	206 Å²	206	129.9 Å²	129.9	81%	0.808	72%	0.718	S	S	*	*			trans	89.6	106.3	131.8	-56.4	-61.9	0	0	0	121.5
180	N	31.5	Very low	38.7	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	73%	0.727	S	S	*	*			trans	-54.6	145	137.2	-67.7	-64.5	0	0	0	110.8
181	I	37.6	Very low	37.2	Very low	170 Å²	170	134.8 Å²	134.8	87%	0.872	73%	0.73	S	S	*	*				-173.6	149.8	112.8	-95.3	158.2	0	0	0	111.3
182	D	34.3	Very low	35.8	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	75%	0.747	S	S	*	*			trans	-63.3	134.6	-173.8	-85	-65	0	0	0	117.6
183	A	33	Very low	35.1	Very low	76 Å²	76	144.1 Å²	144.1	63%	0.628	76%	0.759	S	S	*	*				73.5	162.9	122.4	0	0	0	0	0	123.6
184	T	38	Very low	34.6	Very low	122 Å²	122	141.8 Å²	141.8	75%	0.748	75%	0.753	S	S	*	*			trans	79.9	116.5	164.8	65.6	0	0	0	0	119.9
185	H	36.2	Very low	34.5	Very low	162 Å²	162	138.7 Å²	138.7	75%	0.75	74%	0.744	S	S	*	*			trans	53.6	122.5	133	-77.1	-88.5	0	0	0	119.2
186	N	36.6	Very low	34.4	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	75%	0.751	S	S	*	*				-164.6	177.5	56	-103.5	-40	0	0	0	114.9
187	K	34.2	Very low	34.5	Very low	190 Å²	190	143 Å²	143	83%	0.826	75%	0.745	S	S	*	*			trans	-128.6	154.4	178.6	-174.7	-175.2	178.8	179	0	110.6
188	T	31.4	Very low	34.4	Very low	115 Å²	115	145.9 Å²	145.9	71%	0.706	75%	0.745	S	S	*	*			trans	92.5	151.7	162.1	-25.7	0	0	0	0	116.7
189	I	35.8	Very low	34.1	Very low	149 Å²	149	145.2 Å²	145.2	76%	0.764	75%	0.749	S	S	*	*			trans	78.5	124.4	172.1	-52.3	176.3	0	0	0	114.2
190	E	31.8	Very low	33.9	Very low	163 Å²	163	139.7 Å²	139.7	76%	0.762	74%	0.741	S	S	*	*			cis	-168.6	-179.5	-21.8	-131.1	164.9	-143.7	0	0	110.8
191	S	34.8	Very low	33.7	Very low	94 Å²	94	139.4 Å²	139.4	66%	0.657	75%	0.745	S	S	*	*			trans	67.7	109.7	154.1	53.2	0	0	0	0	122.9
192	Y	33.6	Very low	33.2	Very low	201 Å²	201	137.4 Å²	137.4	79%	0.788	75%	0.745	S	S	*	*				68.2	126.1	126.9	-69.4	-60.3	0	0	0	124.6
193	H	35.3	Very low	32.8	Very low	154 Å²	154	138.6 Å²	138.6	71%	0.713	75%	0.745	S	S	*	*			trans	58	151.8	134.8	-70.7	-47.3	0	0	0	121
194	D	31.7	Very low	32.7	Very low	127 Å²	127	141.6 Å²	141.6	68%	0.679	75%	0.751	S	S	*	*			cis	-172.6	167.8	-31.5	-133.2	-47.9	0	0	0	107.7
195	S	35.6	Very low	32.2	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	75%	0.749	S	S	*	*			trans	60.2	125.6	177.8	40.9	0	0	0	0	116
196	E	32.7	Very low	31.8	Very low	185 Å²	185	142.1 Å²	142.1	86%	0.864	75%	0.754	S	S	*	*				52.1	126.4	91.9	-57.6	-175.9	171.4	0	0	112.8
197	D	32.2	Very low	31.4	Very low	115 Å²	115	138.9 Å²	138.9	62%	0.615	75%	0.749	S	S	*	*			cis	-168	168.5	45.3	-165.2	10.5	0	0	0	112.3
198	K	32.8	Very low	31.2	Very low	162 Å²	162	138.9 Å²	138.9	70%	0.704	75%	0.752	S	S	*	*			trans	16.1	125.4	162.7	-68.4	154	-165.5	75.4	0	119.9
199	S	30.6	Very low	31.1	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	76%	0.759	S	S	*	*				161.6	162	100.1	54.4	0	0	0	0	116
200	S	32.4	Very low	30.6	Very low	91 Å²	91	140 Å²	140	64%	0.636	76%	0.764	S	S	*	*			trans	48	105.3	154.6	58.2	0	0	0	0	120.7
201	T	26.2	Very low	30.3	Very low	144 Å²	144	138 Å²	138	88%	0.883	77%	0.767	S	S	*	*				31.5	92.3	125.9	57.4	0	0	0	0	118.2
202	C	27.4	Very low	30.1	Very low	129 Å²	129	139.2 Å²	139.2	87%	0.872	77%	0.774	S	S	*	*			trans	-145.9	161.2	150.4	-110.1	0	0	0	0	109.4
203	H	27.3	Very low	30.1	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.815	77%	0.769	S	S	*	*			trans	-66.9	137.5	177.3	-63.9	-100.4	0	0	0	111.2
204	D	29.6	Very low	30.3	Very low	138 Å²	138	133.9 Å²	133.9	74%	0.738	76%	0.758	S	S	*	*			trans	-161.5	100.6	137.2	-104.5	-35.2	0	0	0	113.5	N206	D204-N206 PolarHBondContact O-N 2.85Å
205	N	27.4	Very low	31	Very low	135 Å²	135	129.2 Å²	129.2	72%	0.722	74%	0.735	S	S	*	*				46.3	35.4	112.6	-55.6	-46.7	0	0	0	120.8	A207	N205-A207 PolarHBondContact O-N 3.21Å
206	N	28.8	Very low	31.6	Very low	160 Å²	160	131.7 Å²	131.7	86%	0.856	74%	0.736	S	S	*	*			trans	-76.1	79.5	155.7	-88.6	-21.3	0	0	0	110.6	D204 E208	D204-N206 PolarHBondContact O-N 2.85Å; N206-E208 VanDerWaalsContact C-N 3.31Å; N206-E208 PolarHBondContact O-N 2.92Å
207	A	28.4	Very low	32.5	Very low	85 Å²	85	127.9 Å²	127.9	70%	0.702	72%	0.718	S	S	*	*			trans	-75.7	79.3	171.2	0	0	0	0	0	110.5	N205 L209	N205-A207 PolarHBondContact O-N 3.21Å; A207-L209 PolarHBondContact O-N 3.13Å
208	E	28.7	Very low	33.4	Very low	190 Å²	190	123.8 Å²	123.8	89%	0.888	70%	0.696	S	S	*	*			trans	-59.9	131.6	163.5	-73.1	-162.9	133.1	0	0	109.6	N206 S210	N206-E208 VanDerWaalsContact C-N 3.31Å; N206-E208 PolarHBondContact O-N 2.92Å; E208-S210 PolarHBondContact O-N 2.72Å; E208-S210 VanDerWaalsContact O-N 3.14Å
209	L	28.8	Very low	34.2	Very low	161 Å²	161	120.6 Å²	120.6	84%	0.843	69%	0.686	S	S	*	*			trans	-64.9	116.5	-167.2	-98	64.2	0	0	0	112.6	A207 C211	A207-L209 PolarHBondContact O-N 3.13Å; L209-C211 PolarHBondContact O-N 3.28Å
210	S	27	Very low	35.6	Very low	126 Å²	126	118.8 Å²	118.8	88%	0.881	67%	0.668	S	S	*	*			trans	-46.4	97.5	163.8	166.2	0	0	0	0	112.7	E208	E208-S210 PolarHBondContact O-N 2.72Å; E208-S210 VanDerWaalsContact O-N 3.14Å
211	C	25.1	Very low	37.2	Very low	122 Å²	122	114.7 Å²	114.7	82%	0.824	64%	0.639	S	S	*	*			trans	-156.1	28.1	169.2	-150.6	0	0	0	0	114.6	L209	L209-C211 PolarHBondContact O-N 3.28Å
212	C	31.1	Very low	39.3	Very low	118 Å²	118	108.3 Å²	108.3	80%	0.797	60%	0.602	S	S	*	*			trans	-145	25	-169.4	61	0	0	0	0	117.8	I214	C212-I214 PolarHBondContact O-N 3.18Å
213	H	33.9	Very low	41.7	Very low	151 Å²	151	102.6 Å²	102.6	70%	0.699	56%	0.562	S	S	*	*			trans	-90.1	88.8	164	-158.2	71.1	0	0	0	110.8	P215	H213-P215 VanDerWaalsContact O-CD 3.3Å; H213-P215 WeakPolarHBondContact O-CD 3.3Å
214	I	39.2	Very low	44.2	Very low	93 Å²	93	94.9 Å²	94.9	48%	0.477	53%	0.528	S	S	.	.			trans	-67.3	117.3	165.1	-70.5	176.8	0	0	0	106.7	C212 Q216 L218 L219	C212-I214 PolarHBondContact O-N 3.18Å; I214-Q216 PolarHBondContact O-N 3.29Å; I214-L218 HydrophobicContact CG2-CB 3.76Å; I214-L218 HydrophobicContact CG2-CD1 4.1Å; I214-L218 HydrophobicContact CG2-CG 4.42Å; I214-L219 HydrophobicContact CG2-CD2 4.28Å; I214-L219 HydrophobicContact CG2-CG 4.36Å
215	P	45.6	Very low	46.7	Very low	29 Å²	29	88.3 Å²	88.3	19%	0.188	49%	0.493	C	S	.	.			trans	-55.2	141.7	178.3	-27.5	35.7	0	0	0	111.3	Y167 H213 E217 L218	Y167-P215 HydrophobicContact CD2-CG 4.39Å; Y167-P215 HydrophobicContact CE2-CG 4.34Å; H213-P215 VanDerWaalsContact O-CD 3.3Å; H213-P215 WeakPolarHBondContact O-CD 3.3Å; P215-E217 HydrophobicContact CB-CB 4.5Å; P215-E217 PolarHBondContact O-N 3.34Å; P215-L218 HydrophobicContact CB-CG 4.42Å; P215-L218 HydrophobicContact CG-CG 4.46Å; P215-L218 WeakPolarHBondContact O-CB 3.49Å; P215-L218 PolarHBondContact O-N 2.77Å
216	Q	47.8	Very low	49.2	Very low	146 Å²	146	83.3 Å²	83.3	68%	0.682	47%	0.468	S	S	*	.	H	α-helix	trans	-57.2	-23.3	177.7	-162.5	175.8	18.3	0	0	112.2	I214 L219 N220	I214-Q216 PolarHBondContact O-N 3.29Å; Q216-L219 PolarHBondContact O-N 3.09Å; Q216-N220 PolarHBondContact O-N 3.16Å; Q216-N220 VanDerWaalsContact O-N 3.09Å; Q216-N220 PolarHBondContact O-ND2 3.06Å
217	E	53.2	Low	51.7	Low	105 Å²	105	76 Å²	76	49%	0.491	43%	0.429	S	S	.	.	H	α-helix	trans	-64.7	-33.5	172.4	-51.6	-170.2	122.1	0	0	113.1	K135 P215 N220 L221	K135-E217 IonicContact NZ-OE1 2.73Å; K135-E217 PolarHBondContact NZ-OE1 3.15Å; P215-E217 HydrophobicContact CB-CB 4.5Å; P215-E217 PolarHBondContact O-N 3.34Å; E217-N220 PolarHBondContact O-N 3.37Å; E217-L221 WeakPolarHBondContact O-CG 3.44Å
218	L	51	Low	54	Low	29 Å²	29	79.5 Å²	79.5	15%	0.152	44%	0.436	C	S	.	.	H	α-helix	trans	-72.9	-32.1	173	-61.3	-169.1	0	0	0	112.5	Q163 K164 I214 P215 N220 L221	Q163-L218 HydrophobicContact CB-CD2 3.57Å; Q163-L218 HydrophobicContact CG-CD2 4.48Å; K164-L218 HydrophobicContact CB-CD1 4.44Å; I214-L218 HydrophobicContact CG2-CB 3.76Å; I214-L218 HydrophobicContact CG2-CD1 4.1Å; I214-L218 HydrophobicContact CG2-CG 4.42Å; P215-L218 HydrophobicContact CB-CG 4.42Å; P215-L218 HydrophobicContact CG-CG 4.46Å; P215-L218 WeakPolarHBondContact O-CB 3.49Å; P215-L218 PolarHBondContact O-N 2.77Å; L218-N220 VanDerWaalsContact C-N 3.33Å; L218-L221 HydrophobicContact CB-CD1 4.37Å; L218-L221 HydrophobicContact CD2-CD1 3.96Å; L218-L221 WeakPolarHBondContact O-CD1 3.4Å; L218-L221 VanDerWaalsContact O-CG 3.27Å; L218-L221 WeakPolarHBondContact O-CG 3.19Å; L218-L221 PolarHBondContact O-N 3.47Å
219	L	47.8	Very low	56.4	Low	95 Å²	95	70.8 Å²	70.8	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-67.6	-38.9	173.5	-62.8	175.7	0	0	0	110.6	L78 I214 Q216 L221	L78-L219 WeakPolarHBondContact CD1-O 3.4Å; I214-L219 HydrophobicContact CG2-CD2 4.28Å; I214-L219 HydrophobicContact CG2-CG 4.36Å; Q216-L219 PolarHBondContact O-N 3.09Å; L219-L221 PolarHBondContact O-N 3.39Å; L219-L221 VanDerWaalsContact O-N 3.1Å
220	N	61.3	Low	59	Low	71 Å²	71	63.5 Å²	63.5	38%	0.38	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	2.8	179.1	-75.2	-22.8	0	0	0	114.8	R132 Q216 E217 L218	R132-N220 PolarHBondContact NH1-O 3.29Å; Q216-N220 PolarHBondContact O-N 3.16Å; Q216-N220 VanDerWaalsContact O-N 3.09Å; Q216-N220 PolarHBondContact O-ND2 3.06Å; E217-N220 PolarHBondContact O-N 3.37Å; L218-N220 VanDerWaalsContact C-N 3.33Å
221	L	66.1	Low	61.5	Low	5 Å²	5	60.5 Å²	60.5	3%	0.026	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-47.3	-175.9	-60.3	176.4	0	0	0	113	R132 I141 F154 A156 A160 E217 L218 L219	R132-L221 PolarHBondContact NH1-O 3.14Å; R132-L221 VanDerWaalsContact NH1-O 3.13Å; I141-L221 HydrophobicContact CD1-CD2 3.34Å; I141-L221 HydrophobicContact CG1-CD2 3.85Å; I141-L221 HydrophobicContact CG2-CD2 4.33Å; F154-L221 WeakPolarHBondContact CD1-O 3.24Å; F154-L221 WeakPolarHBondContact CE1-O 3.38Å; A156-L221 HydrophobicContact CB-CB 3.94Å; A160-L221 VanDerWaalsContact CA-CD1 3.42Å; A160-L221 HydrophobicContact CB-CD1 3.47Å; A160-L221 VanDerWaalsContact CB-CD1 3.47Å; E217-L221 WeakPolarHBondContact O-CG 3.44Å; L218-L221 HydrophobicContact CB-CD1 4.37Å; L218-L221 HydrophobicContact CD2-CD1 3.96Å; L218-L221 WeakPolarHBondContact O-CD1 3.4Å; L218-L221 VanDerWaalsContact O-CG 3.27Å; L218-L221 WeakPolarHBondContact O-CG 3.19Å; L218-L221 PolarHBondContact O-N 3.47Å; L219-L221 PolarHBondContact O-N 3.39Å; L219-L221 VanDerWaalsContact O-N 3.1Å
222	G	69	Low	64.1	Low	10 Å²	10	56.7 Å²	56.7	10%	0.103	31%	0.311	C	S	.	.			trans	-104.7	147.9	-175	0	0	0	0	0	114.9	L78 F154	L78-G222 PolarHBondContact N-O 2.89Å; F154-G222 CarbonylContact O-C 3.51Å; F154-G222 WeakPolarHBondContact O-CA 3.38Å
223	L	79.3	Confident	66.7	Low	9 Å²	9	51.9 Å²	51.9	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.2	-179	-66.2	173.5	0	0	0	113.3	A77 C153 F154 I225 H400 F402	A77-L223 WeakPolarHBondContact CB-O 3.35Å; C153-L223 CarbonylContact C-O 3.57Å; C153-L223 VanDerWaalsContact CA-O 3.26Å; C153-L223 WeakPolarHBondContact CA-O 3.34Å; F154-L223 HydrophobicContact CB-CB 4.35Å; F154-L223 PolarHBondContact N-O 2.86Å; F154-L223 PolarHBondContact O-N 2.99Å; L223-I225 HydrophobicContact CB-CG1 4.34Å; L223-I225 HydrophobicContact CD1-CD1 4.37Å; L223-H400 HydrophobicContact CD1-CB 4.37Å; L223-H400 WeakPolarHBondContact CD1-CD2 3.32Å; L223-F402 HydrophobicContact CD1-CZ 4.15Å
224	C	79.9	Confident	69.1	Low	15 Å²	15	48.8 Å²	48.8	10%	0.101	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	110.2	168.9	178.1	0	0	0	0	108.5	A77 L78 R79 I80 F102	A77-C224 HydrophobicContact CB-CB 4.37Å; L78-C224 PolarHBondContact O-N 2.86Å; R79-C224 WeakPolarHBondContact CA-O 3.47Å; I80-C224 PolarHBondContact N-O 3.13Å; F102-C224 HydrophobicContact CE2-CB 4.45Å
225	I	82.1	Confident	71.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.3	-169.8	-49.2	179.7	0	0	0	108.1	I80 S151 L152 L223 I230 L394	I80-I225 HydrophobicContact CD1-CG1 4.33Å; S151-I225 CarbonylContact C-O 3.41Å; S151-I225 WeakPolarHBondContact CA-O 3.44Å; S151-I225 VanDerWaalsContact CB-O 3.26Å; S151-I225 WeakPolarHBondContact CB-O 3.37Å; L152-I225 HydrophobicContact CD2-CD1 3.81Å; L152-I225 HydrophobicContact CD2-CG1 4.42Å; L152-I225 PolarHBondContact N-O 3.22Å; L152-I225 WeakPolarHBondContact O-CB 3.44Å; L152-I225 PolarHBondContact O-N 2.88Å; L223-I225 HydrophobicContact CB-CG1 4.34Å; L223-I225 HydrophobicContact CD1-CD1 4.37Å; I225-I230 HydrophobicContact CG2-CD1 4.35Å; I225-I230 HydrophobicContact CG2-CG1 3.93Å; I225-L394 HydrophobicContact CD1-CD1 4.45Å; I225-L394 HydrophobicContact CD1-CD2 4.4Å; I225-L394 HydrophobicContact CG2-CD1 4.11Å; I225-L394 HydrophobicContact CG2-CD2 3.49Å; I225-L394 VanDerWaalsContact CG2-CD2 3.49Å; I225-L394 HydrophobicContact CG2-CG 4.47Å
226	P	78.7	Confident	73.2	Confident	29 Å²	29	43.1 Å²	43.1	19%	0.188	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	137.6	169.2	-18.3	31.1	0	0	0	110.1	I80 D228 S229	I80-P226 WeakPolarHBondContact O-CD 3.47Å; I80-P226 WeakPolarHBondContact O-CG 3.45Å; P226-D228 VanDerWaalsContact C-N 3.27Å; P226-D228 PolarHBondContact O-N 3.23Å; P226-S229 WeakPolarHBondContact O-CB 3.4Å; P226-S229 PolarHBondContact O-N 2.92Å
227	L	81.8	Confident	75	Confident	8 Å²	8	39 Å²	39	4%	0.042	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-64	-34.7	-177.1	-66.5	-168.3	0	0	0	112.4	T148 E150 L152 S229 I230 L416 A419 V421	T148-L227 WeakPolarHBondContact O-CD1 3.31Å; E150-L227 PolarHBondContact O-N 3.21Å; L152-L227 HydrophobicContact CB-CD2 3.67Å; L227-S229 PolarHBondContact O-N 2.99Å; L227-I230 HydrophobicContact CD2-CD1 3.85Å; L227-I230 WeakPolarHBondContact O-CB 3.35Å; L227-I230 PolarHBondContact O-N 3.15Å; L227-L416 HydrophobicContact CD1-CD2 4.46Å; L227-L416 HydrophobicContact CD2-CD2 3.57Å; L227-A419 HydrophobicContact CD1-CB 3.42Å; L227-A419 VanDerWaalsContact CD1-CB 3.42Å; L227-V421 HydrophobicContact CB-CG2 3.84Å; L227-V421 HydrophobicContact CD1-CG2 4.3Å; L227-V421 HydrophobicContact CD2-CG2 4.26Å; L227-V421 HydrophobicContact CG-CG2 4.35Å
228	D	77.2	Confident	76.4	Confident	157 Å²	157	38 Å²	38	84%	0.84	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-59.9	-23.6	173.9	-68	-19.9	0	0	0	113.4	P226 I230	P226-D228 VanDerWaalsContact C-N 3.27Å; P226-D228 PolarHBondContact O-N 3.23Å; D228-I230 VanDerWaalsContact C-N 3.28Å; D228-I230 PolarHBondContact O-N 3.48Å
229	S	78.7	Confident	77.9	Confident	7 Å²	7	42.1 Å²	42.1	5%	0.049	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-80.6	-5.5	177.4	-53.6	0	0	0	0	113.5	P226 L227 L394 V395	P226-S229 WeakPolarHBondContact O-CB 3.4Å; P226-S229 PolarHBondContact O-N 2.92Å; L227-S229 PolarHBondContact O-N 2.99Å; S229-L394 CarbonylContact O-C 3.54Å; S229-L394 WeakPolarHBondContact O-CA 3.38Å; S229-V395 PolarHBondContact O-N 3.37Å
230	I	82.6	Confident	79.5	Confident	9 Å²	9	39.9 Å²	39.9	5%	0.046	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	103.2	-179.9	-56.8	173.3	0	0	0	109.8	L152 I225 L227 D228 I392 L394 L416 V421	L152-I230 HydrophobicContact CB-CD1 4.5Å; I225-I230 HydrophobicContact CG2-CD1 4.35Å; I225-I230 HydrophobicContact CG2-CG1 3.93Å; L227-I230 HydrophobicContact CD2-CD1 3.85Å; L227-I230 WeakPolarHBondContact O-CB 3.35Å; L227-I230 PolarHBondContact O-N 3.15Å; D228-I230 VanDerWaalsContact C-N 3.28Å; D228-I230 PolarHBondContact O-N 3.48Å; I230-I392 HydrophobicContact CB-CG2 4.28Å; I230-I392 HydrophobicContact CD1-CG2 3.95Å; I230-I392 HydrophobicContact CG1-CG2 3.82Å; I230-I392 HydrophobicContact CG2-CG2 3.56Å; I230-L394 HydrophobicContact CB-CD2 4.43Å; I230-L394 HydrophobicContact CG1-CD2 3.79Å; I230-L416 HydrophobicContact CD1-CD2 4.35Å; I230-V421 HydrophobicContact CB-CG1 3.73Å; I230-V421 HydrophobicContact CD1-CG1 4.3Å; I230-V421 HydrophobicContact CD1-CG2 4.48Å; I230-V421 HydrophobicContact CG2-CG1 3.4Å
231	V	79.8	Confident	80.5	Confident	63 Å²	63	36.5 Å²	36.5	38%	0.382	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-35.7	-179.9	179.4	0	0	0	0	111.7	T393 V395	V231-T393 PolarHBondContact N-O 3.23Å; V231-V395 HydrophobicContact CG2-CB 4.32Å; V231-V395 HydrophobicContact CG2-CG2 3.59Å
232	A	79.8	Confident	81.2	Confident	42 Å²	42	38.7 Å²	38.7	35%	0.347	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.3	178.2	0	0	0	0	0	112.6	T393	A232-T393 PolarHBondContact N-O 3.05Å; A232-T393 PolarHBondContact O-N 3.22Å
233	M	87.1	Confident	81.8	Confident	17 Å²	17	44.7 Å²	44.7	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135	168.3	59.1	177.7	178.8	0	0	110.7	L390 K391 Y413 L416 L417 V421	M233-L390 HydrophobicContact CB-CD1 4.32Å; M233-K391 CarbonylContact C-O 3.51Å; M233-K391 VanDerWaalsContact CA-O 3.31Å; M233-K391 WeakPolarHBondContact CA-O 3.48Å; M233-Y413 HydrophobicContact CB-CE2 4.32Å; M233-Y413 HydrophobicContact CE-CD1 4.38Å; M233-Y413 HydrophobicContact CE-CD2 4.26Å; M233-Y413 HydrophobicContact CE-CE1 4.1Å; M233-Y413 HydrophobicContact CE-CE2 3.96Å; M233-Y413 HydrophobicContact CE-CG 4.47Å; M233-Y413 HydrophobicContact CG-CE2 3.72Å; M233-Y413 PolarHBondContact O-OH 2.8Å; M233-Y413 HydrophobicContact SD-CD2 3.85Å; M233-Y413 HydrophobicContact SD-CE2 3.62Å; M233-L416 HydrophobicContact CE-CB 3.91Å; M233-L416 HydrophobicContact SD-CB 3.68Å; M233-L416 HydrophobicContact SD-CD1 3.7Å; M233-L416 HydrophobicContact SD-CG 4.32Å; M233-L417 HydrophobicContact CE-CD2 3.53Å; M233-L417 HydrophobicContact CE-CG 3.72Å; M233-V421 HydrophobicContact CE-CG1 4.36Å; M233-V421 HydrophobicContact CG-CG1 4.42Å; M233-V421 HydrophobicContact SD-CG1 4.04Å
234	K	84.1	Confident	81.8	Confident	85 Å²	85	45.7 Å²	45.7	37%	0.37	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.6	179.8	176.3	-178.8	-179.8	-133.6	0	109.3	L236 D240 K391	K234-L236 HydrophobicContact CD-CD2 3.75Å; K234-L236 HydrophobicContact CG-CD2 4Å; K234-L236 VanDerWaalsContact NZ-CD2 3.32Å; K234-D240 IonicContact NZ-OD2 3.43Å; K234-K391 PolarHBondContact N-O 2.83Å; K234-K391 WeakPolarHBondContact O-CA 3.21Å; K234-K391 WeakPolarHBondContact O-CB 3.38Å; K234-K391 PolarHBondContact O-N 3.5Å
235	T	85.4	Confident	81.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	145.3	165.4	-63.8	0	0	0	0	112.1	L388 Y389 L409 S459 V461	T235-L388 HydrophobicContact CG2-CB 3.94Å; T235-L388 HydrophobicContact CG2-CD1 4.2Å; T235-L388 HydrophobicContact CG2-CD2 4.38Å; T235-L388 HydrophobicContact CG2-CG 4.42Å; T235-Y389 CarbonylContact C-O 3.05Å; T235-Y389 WeakPolarHBondContact CA-O 3.43Å; T235-L409 HydrophobicContact CG2-CD2 3.71Å; T235-S459 PolarHBondContact N-OG 3.47Å; T235-V461 VanDerWaalsContact CB-CB 3.49Å; T235-V461 HydrophobicContact CG2-CB 4.18Å; T235-V461 HydrophobicContact CG2-CG2 3.45Å; T235-V461 VanDerWaalsContact CG2-CG2 3.45Å; T235-V461 WeakPolarHBondContact OG1-CB 3.45Å; T235-V461 VanDerWaalsContact OG1-CG2 3.25Å; T235-V461 WeakPolarHBondContact OG1-CG2 3.33Å
236	L	85.2	Confident	81.4	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.8	-175.1	-56.1	-179.1	0	0	0	109.2	K234 D240 V241 I244 Y389 K391 I401	K234-L236 HydrophobicContact CD-CD2 3.75Å; K234-L236 HydrophobicContact CG-CD2 4Å; K234-L236 VanDerWaalsContact NZ-CD2 3.32Å; L236-D240 HydrophobicContact CB-CB 3.83Å; L236-D240 HydrophobicContact CD2-CB 3.94Å; L236-D240 HydrophobicContact CG-CB 4.32Å; L236-V241 HydrophobicContact CB-CG2 3.93Å; L236-V241 HydrophobicContact CD1-CG2 3.91Å; L236-I244 HydrophobicContact CD1-CD1 3.45Å; L236-I244 VanDerWaalsContact CD1-CD1 3.45Å; L236-I244 HydrophobicContact CD2-CD1 4.35Å; L236-Y389 PolarHBondContact N-O 2.8Å; L236-Y389 PolarHBondContact O-N 2.99Å; L236-K391 HydrophobicContact CD1-CB 3.69Å; L236-K391 HydrophobicContact CD1-CD 4.12Å; L236-K391 HydrophobicContact CD1-CG 4.48Å; L236-K391 HydrophobicContact CG-CB 4.07Å; L236-I401 HydrophobicContact CD1-CD1 4.15Å
237	V	85.2	Confident	80.8	Confident	58 Å²	58	53 Å²	53	35%	0.352	28%	0.278	S	S	.	.			trans	-84	165.5	161.7	-65.7	0	0	0	0	109.8	N239 D240 V241 L388	V237-N239 HydrophobicContact CG2-CB 4.3Å; V237-N239 PolarHBondContact O-N 2.81Å; V237-N239 VanDerWaalsContact O-N 3.16Å; V237-D240 PolarHBondContact N-OD2 3.5Å; V237-D240 WeakPolarHBondContact O-CB 3.49Å; V237-D240 PolarHBondContact O-N 2.92Å; V237-V241 PolarHBondContact O-N 2.85Å; V237-L388 HydrophobicContact CG1-CD2 4.14Å
238	E	83.3	Confident	79.9	Confident	85 Å²	85	56.3 Å²	56.3	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-54	-39.1	-178.1	-168.2	172.8	167.1	0	0	113	L137 D240 V241 I242 Y389	L137-E238 HydrophobicContact CD1-CG 4.25Å; E238-D240 VanDerWaalsContact C-N 3.34Å; E238-D240 PolarHBondContact O-N 3.13Å; E238-V241 PolarHBondContact O-N 2.98Å; E238-V241 VanDerWaalsContact O-N 3.13Å; E238-I242 HydrophobicContact CG-CD1 4.28Å; E238-I242 WeakPolarHBondContact O-CG1 3.3Å; E238-I242 PolarHBondContact O-N 2.82Å; E238-Y389 HydrophobicContact CB-CE2 3.9Å; E238-Y389 HydrophobicContact CG-CE2 4.19Å
239	N	80.8	Confident	78.9	Confident	115 Å²	115	51.9 Å²	51.9	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-60.4	-36.2	175.9	-71.3	-32.8	0	0	0	113.8	V237 H243	V237-N239 HydrophobicContact CG2-CB 4.3Å; V237-N239 PolarHBondContact O-N 2.81Å; V237-N239 VanDerWaalsContact O-N 3.16Å; N239-H243 PolarHBondContact O-N 2.89Å
240	D	82.5	Confident	77.4	Confident	49 Å²	49	55.9 Å²	55.9	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-67	-40.4	175	-74.9	-37.5	0	0	0	110.7	K234 L236 V237 E238 H243 I244	K234-D240 IonicContact NZ-OD2 3.43Å; L236-D240 HydrophobicContact CB-CB 3.83Å; L236-D240 HydrophobicContact CD2-CB 3.94Å; L236-D240 HydrophobicContact CG-CB 4.32Å; V237-D240 PolarHBondContact N-OD2 3.5Å; V237-D240 WeakPolarHBondContact O-CB 3.49Å; V237-D240 PolarHBondContact O-N 2.92Å; E238-D240 VanDerWaalsContact C-N 3.34Å; E238-D240 PolarHBondContact O-N 3.13Å; D240-H243 WeakPolarHBondContact O-CB 3.42Å; D240-H243 PolarHBondContact O-N 2.66Å; D240-I244 WeakPolarHBondContact O-CG1 3.47Å; D240-I244 PolarHBondContact O-N 2.57Å
241	V	82	Confident	75.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-42.4	178.9	-176.3	0	0	0	0	110.5	L137 L236 V237 E238 H243 I244 L245 Y389 I401	L137-V241 HydrophobicContact CD1-CG1 4.33Å; L137-V241 HydrophobicContact CD2-CB 4.48Å; L137-V241 HydrophobicContact CD2-CG1 3.9Å; L137-V241 HydrophobicContact CG-CG1 4.18Å; L236-V241 HydrophobicContact CB-CG2 3.93Å; L236-V241 HydrophobicContact CD1-CG2 3.91Å; V237-V241 PolarHBondContact O-N 2.85Å; E238-V241 PolarHBondContact O-N 2.98Å; E238-V241 VanDerWaalsContact O-N 3.13Å; V241-H243 VanDerWaalsContact C-N 3.25Å; V241-H243 PolarHBondContact O-N 3.44Å; V241-I244 PolarHBondContact O-N 3.2Å; V241-L245 HydrophobicContact CG1-CD1 3.85Å; V241-L245 HydrophobicContact CG1-CG 4.36Å; V241-L245 WeakPolarHBondContact O-CB 3.31Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 2.99Å; V241-Y389 HydrophobicContact CG2-CD1 3.9Å; V241-Y389 HydrophobicContact CG2-CD2 3.99Å; V241-Y389 HydrophobicContact CG2-CE1 4.48Å; V241-Y389 HydrophobicContact CG2-CG 3.62Å; V241-I401 HydrophobicContact CG1-CD1 4.43Å; V241-I401 HydrophobicContact CG2-CG2 4.24Å
242	I	81.4	Confident	74.2	Confident	51 Å²	51	63.2 Å²	63.2	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-55.6	-41.4	170.4	-68.1	169.6	0	0	0	110.9	L137 E238 K246	L137-I242 HydrophobicContact CD1-CB 4.49Å; L137-I242 HydrophobicContact CD1-CD1 4.26Å; L137-I242 HydrophobicContact CD1-CG1 3.37Å; E238-I242 HydrophobicContact CG-CD1 4.28Å; E238-I242 WeakPolarHBondContact O-CG1 3.3Å; E238-I242 PolarHBondContact O-N 2.82Å; I242-K246 HydrophobicContact CG2-CD 3.99Å; I242-K246 VanDerWaalsContact CG2-NZ 3.29Å; I242-K246 WeakPolarHBondContact O-CB 3.39Å; I242-K246 WeakPolarHBondContact O-CD 3.19Å; I242-K246 VanDerWaalsContact O-CG 3.24Å; I242-K246 WeakPolarHBondContact O-CG 3.32Å; I242-K246 PolarHBondContact O-N 3.43Å
243	H	80.3	Confident	72.4	Confident	136 Å²	136	66.7 Å²	66.7	63%	0.63	34%	0.338	S	S	*	.	H	α-helix	trans	-66.9	-48.5	178.3	-170.9	-68.1	0	0	0	112	N239 D240 V241 L245 K246 S247	N239-H243 PolarHBondContact O-N 2.89Å; D240-H243 WeakPolarHBondContact O-CB 3.42Å; D240-H243 PolarHBondContact O-N 2.66Å; V241-H243 VanDerWaalsContact C-N 3.25Å; V241-H243 PolarHBondContact O-N 3.44Å; H243-L245 PolarHBondContact O-N 3.39Å; H243-K246 PolarHBondContact O-N 2.91Å; H243-K246 VanDerWaalsContact O-N 3.16Å; H243-S247 PolarHBondContact O-N 3.13Å; H243-S247 PolarHBondContact O-OG 3.47Å; H243-S247 VanDerWaalsContact O-OG 3.09Å
244	I	79.9	Confident	70	Confident	29 Å²	29	70.4 Å²	70.4	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-49.1	-179.1	-70.1	162.8	0	0	0	111.1	L236 D240 V241 K246 S247 E248 K391 I401	L236-I244 HydrophobicContact CD1-CD1 3.45Å; L236-I244 VanDerWaalsContact CD1-CD1 3.45Å; L236-I244 HydrophobicContact CD2-CD1 4.35Å; D240-I244 WeakPolarHBondContact O-CG1 3.47Å; D240-I244 PolarHBondContact O-N 2.57Å; V241-I244 PolarHBondContact O-N 3.2Å; I244-K246 PolarHBondContact O-N 2.7Å; I244-S247 WeakPolarHBondContact CA-OG 3.24Å; I244-S247 PolarHBondContact O-N 2.73Å; I244-S247 PolarHBondContact O-OG 2.84Å; I244-E248 PolarHBondContact O-N 3.35Å; I244-E248 VanDerWaalsContact O-N 3.13Å; I244-K391 HydrophobicContact CD1-CD 4.24Å; I244-I401 HydrophobicContact CD1-CD1 4.45Å; I244-I401 HydrophobicContact CG2-CD1 4.42Å
245	L	79.3	Confident	67.9	Low	24 Å²	24	72.4 Å²	72.4	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-30.8	179	-66.7	167.5	0	0	0	112.5	V133 L137 V241 H243 S249	V133-L245 HydrophobicContact CG1-CD1 4.3Å; V133-L245 HydrophobicContact CG1-CD2 4.41Å; L137-L245 HydrophobicContact CD1-CD1 4.37Å; L137-L245 HydrophobicContact CG-CD1 4.03Å; V241-L245 HydrophobicContact CG1-CD1 3.85Å; V241-L245 HydrophobicContact CG1-CG 4.36Å; V241-L245 WeakPolarHBondContact O-CB 3.31Å; V241-L245 VanDerWaalsContact O-CG 3.3Å; V241-L245 WeakPolarHBondContact O-CG 3.45Å; V241-L245 PolarHBondContact O-N 2.99Å; H243-L245 PolarHBondContact O-N 3.39Å; L245-S249 WeakPolarHBondContact O-CB 3.42Å; L245-S249 PolarHBondContact O-N 3.28Å; L245-S249 PolarHBondContact O-OG 2.82Å
246	K	74.5	Confident	65.6	Low	131 Å²	131	78.9 Å²	78.9	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-72.8	-40	175.2	-77.1	171	-179.3	172	0	112.4	I242 H243 I244 S249 N250	I242-K246 HydrophobicContact CG2-CD 3.99Å; I242-K246 VanDerWaalsContact CG2-NZ 3.29Å; I242-K246 WeakPolarHBondContact O-CB 3.39Å; I242-K246 WeakPolarHBondContact O-CD 3.19Å; I242-K246 VanDerWaalsContact O-CG 3.24Å; I242-K246 WeakPolarHBondContact O-CG 3.32Å; I242-K246 PolarHBondContact O-N 3.43Å; H243-K246 PolarHBondContact O-N 2.91Å; H243-K246 VanDerWaalsContact O-N 3.16Å; I244-K246 PolarHBondContact O-N 2.7Å; K246-S249 PolarHBondContact O-N 3.32Å; K246-N250 VanDerWaalsContact O-CG 3.31Å; K246-N250 PolarHBondContact O-N 2.93Å; K246-N250 VanDerWaalsContact O-N 3.15Å; K246-N250 PolarHBondContact O-ND2 3.31Å
247	S	66.9	Low	63.2	Low	43 Å²	43	82.6 Å²	82.6	30%	0.301	43%	0.433	S	S	.	.	H	α-helix	trans	-59.1	-53.2	172.6	22.6	0	0	0	0	111.7	H243 I244 S249 N250 D251	H243-S247 PolarHBondContact O-N 3.13Å; H243-S247 PolarHBondContact O-OG 3.47Å; H243-S247 VanDerWaalsContact O-OG 3.09Å; I244-S247 WeakPolarHBondContact CA-OG 3.24Å; I244-S247 PolarHBondContact O-N 2.73Å; I244-S247 PolarHBondContact O-OG 2.84Å; S247-S249 PolarHBondContact O-N 3.31Å; S247-S249 VanDerWaalsContact O-N 3.07Å; S247-N250 PolarHBondContact O-N 3.18Å; S247-D251 PolarHBondContact O-N 3.04Å; S247-D251 VanDerWaalsContact O-N 3.08Å
248	E	61.2	Low	60.8	Low	78 Å²	78	86.5 Å²	86.5	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-61.9	-21.9	-178.7	-67.3	179.9	-158.3	0	0	114.2	I244 K252	I244-E248 PolarHBondContact O-N 3.35Å; I244-E248 VanDerWaalsContact O-N 3.13Å; E248-K252 WeakPolarHBondContact O-CD 3.44Å
249	S	56.4	Low	58.5	Low	64 Å²	64	86.9 Å²	86.9	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-79.3	-38.2	173.2	-60.6	0	0	0	0	112.3	L245 K246 S247 L253	L245-S249 WeakPolarHBondContact O-CB 3.42Å; L245-S249 PolarHBondContact O-N 3.28Å; L245-S249 PolarHBondContact O-OG 2.82Å; K246-S249 PolarHBondContact O-N 3.32Å; S247-S249 PolarHBondContact O-N 3.31Å; S247-S249 VanDerWaalsContact O-N 3.07Å; S249-L253 PolarHBondContact O-N 3.17Å
250	N	47.6	Very low	56	Low	91 Å²	91	87.3 Å²	87.3	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-71.8	-39.7	-180	-70.4	-23.2	0	0	0	112	K246 S247 K252 L253 N254	K246-N250 VanDerWaalsContact O-CG 3.31Å; K246-N250 PolarHBondContact O-N 2.93Å; K246-N250 VanDerWaalsContact O-N 3.15Å; K246-N250 PolarHBondContact O-ND2 3.31Å; S247-N250 PolarHBondContact O-N 3.18Å; N250-K252 VanDerWaalsContact C-N 3.28Å; N250-K252 PolarHBondContact O-N 3.22Å; N250-L253 PolarHBondContact O-N 3.16Å; N250-L253 VanDerWaalsContact O-N 3.1Å; N250-N254 PolarHBondContact O-N 3.03Å; N250-N254 PolarHBondContact O-ND2 3.27Å
251	D	49.7	Very low	53.5	Low	92 Å²	92	92.7 Å²	92.7	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-36.6	-179.2	-64	-36	0	0	0	111.9	S247 L253 N254 L255	S247-D251 PolarHBondContact O-N 3.04Å; S247-D251 VanDerWaalsContact O-N 3.08Å; D251-L253 PolarHBondContact O-N 3.36Å; D251-N254 PolarHBondContact O-N 3.32Å; D251-L255 WeakPolarHBondContact O-CB 3.28Å; D251-L255 PolarHBondContact O-N 2.95Å
252	K	45.6	Very low	51.1	Low	133 Å²	133	101.2 Å²	101.2	58%	0.578	54%	0.539	S	S	*	.	H	α-helix	trans	-67	-33	175	-71.8	168.7	-175.4	144.7	0	112.9	E248 N250 L256	E248-K252 WeakPolarHBondContact O-CD 3.44Å; N250-K252 VanDerWaalsContact C-N 3.28Å; N250-K252 PolarHBondContact O-N 3.22Å; K252-L256 PolarHBondContact O-N 2.64Å
253	L	42.4	Very low	48.6	Very low	115 Å²	115	106 Å²	106	60%	0.602	57%	0.565	S	S	*	*	H	α-helix	trans	-73.2	-34.4	173.6	-79.2	162	0	0	0	112.5	S249 N250 D251 S257	S249-L253 PolarHBondContact O-N 3.17Å; N250-L253 PolarHBondContact O-N 3.16Å; N250-L253 VanDerWaalsContact O-N 3.1Å; D251-L253 PolarHBondContact O-N 3.36Å; L253-S257 PolarHBondContact O-OG 3.36Å
254	N	36.5	Very low	46.4	Very low	95 Å²	95	108.9 Å²	108.9	51%	0.508	58%	0.579	S	S	.	*	H	α-helix	trans	-76.3	-26.8	176.9	-68.6	-28.3	0	0	0	113.1	N250 D251 S257 N258	N250-N254 PolarHBondContact O-N 3.03Å; N250-N254 PolarHBondContact O-ND2 3.27Å; D251-N254 PolarHBondContact O-N 3.32Å; N254-S257 PolarHBondContact O-OG 3.43Å; N254-N258 PolarHBondContact O-ND2 3.3Å
255	L	40.6	Very low	44.1	Very low	127 Å²	127	117.4 Å²	117.4	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-73.1	-45.4	173.9	-86.8	158.3	0	0	0	112.6	D251 S257 N258	D251-L255 WeakPolarHBondContact O-CB 3.28Å; D251-L255 PolarHBondContact O-N 2.95Å; L255-S257 PolarHBondContact O-N 3.49Å; L255-S257 VanDerWaalsContact O-N 3.16Å; L255-N258 PolarHBondContact O-N 2.8Å
256	L	36.9	Very low	41.9	Very low	137 Å²	137	120.1 Å²	120.1	72%	0.717	64%	0.635	S	S	*	*	H	α-helix	trans	-64.3	-19.1	-179.2	-78	166.8	0	0	0	114.3	K252	K252-L256 PolarHBondContact O-N 2.64Å
257	S	33.7	Very low	40.1	Very low	82 Å²	82	120.3 Å²	120.3	57%	0.573	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-8.5	-176.3	40.4	0	0	0	0	114.5	L253 N254 L255	L253-S257 PolarHBondContact O-OG 3.36Å; N254-S257 PolarHBondContact O-OG 3.43Å; L255-S257 PolarHBondContact O-N 3.49Å; L255-S257 VanDerWaalsContact O-N 3.16Å
258	N	35.6	Very low	38.5	Very low	139 Å²	139	126 Å²	126	74%	0.743	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-7.7	-172.1	-75.1	-68.4	0	0	0	115.6	N254 L255	N254-N258 PolarHBondContact O-ND2 3.3Å; L255-N258 PolarHBondContact O-N 2.8Å
259	S	35.5	Very low	37.4	Very low	94 Å²	94	129.6 Å²	129.6	66%	0.657	68%	0.676	S	S	*	*			trans	-102	11.1	-170.5	70.8	0	0	0	0	116.1
260	T	27.8	Very low	36.5	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	69%	0.688	S	S	*	*			trans	-111.6	72.1	-176.5	-51.7	0	0	0	0	111.7
261	L	29.7	Very low	35.9	Very low	162 Å²	162	135 Å²	135	85%	0.848	70%	0.7	S	S	*	*	S	Bend	trans	179.5	144.4	160.5	-101.7	158.9	0	0	0	109.4
262	Q	32.1	Very low	35.3	Very low	179 Å²	179	136.9 Å²	136.9	84%	0.836	71%	0.707	S	S	*	*			trans	69.8	151.5	-174.2	-46.5	174.8	16	0	0	114.1
263	N	28.7	Very low	34.8	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	72%	0.716	S	S	*	*			cis	-172.2	166.7	-39.1	-107.8	-2.5	0	0	0	108.2
264	E	34.5	Very low	34.5	Very low	198 Å²	198	138.4 Å²	138.4	93%	0.925	73%	0.727	S	S	*	*			trans	116.9	165.4	157.7	-58.9	-169.5	168.1	0	0	119.7
265	R	32	Very low	34.6	Very low	208 Å²	208	141 Å²	141	79%	0.785	74%	0.739	S	S	*	*			trans	-166.7	156.6	-159.8	169.2	-164.6	167.2	-178.7	-5.4	109.2	E267	R265-E267 IonicContact CZ-OE1 2.57Å; R265-E267 IonicContact NE-OE1 3.2Å; R265-E267 PolarHBondContact NE-OE1 3.34Å; R265-E267 IonicContact NH2-OE1 3.25Å; R265-E267 PolarHBondContact NH2-OE1 3.37Å; R265-E267 IonicContact NH2-OE2 2.86Å
266	A	32.6	Very low	34.3	Very low	81 Å²	81	140.6 Å²	140.6	67%	0.669	74%	0.737	S	S	*	*			cis	177.9	-158.1	-27.1	0	0	0	0	0	106.9
267	E	35.8	Very low	34.4	Very low	134 Å²	134	140.7 Å²	140.7	63%	0.626	73%	0.734	S	S	*	*			trans	69.6	147.3	169.5	-66.4	153.8	-124.4	0	0	117.1	R265	R265-E267 IonicContact CZ-OE1 2.57Å; R265-E267 IonicContact NE-OE1 3.2Å; R265-E267 PolarHBondContact NE-OE1 3.34Å; R265-E267 IonicContact NH2-OE1 3.25Å; R265-E267 PolarHBondContact NH2-OE1 3.37Å; R265-E267 IonicContact NH2-OE2 2.86Å
268	E	33.9	Very low	34.6	Very low	163 Å²	163	142.5 Å²	142.5	76%	0.762	74%	0.737	S	S	*	*			cis	-168.1	148.4	-41.6	-117.4	178.2	-160.7	0	0	112.6
269	H	38.3	Very low	34.7	Very low	153 Å²	153	142.6 Å²	142.6	71%	0.708	73%	0.733	S	S	*	*			trans	67.7	132.9	149.3	-82.4	-72.8	0	0	0	129.1
270	D	37.2	Very low	34.8	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	73%	0.734	S	S	*	*				97.9	92.5	128.8	-76.4	0	0	0	0	129.4
271	N	36	Very low	35.3	Very low	136 Å²	136	144.4 Å²	144.4	73%	0.727	73%	0.731	S	S	*	*				77.5	149.7	102.1	-143.1	1	0	0	0	127.5
272	M	36.6	Very low	35.7	Very low	132 Å²	132	142.6 Å²	142.6	65%	0.65	73%	0.727	S	S	*	*			trans	101.3	86.9	147.7	-88	-78.6	166.2	0	0	126.9
273	Q	34.9	Very low	36	Very low	162 Å²	162	139.3 Å²	139.3	76%	0.757	72%	0.715	S	S	*	*				56.1	152.7	126.8	-64	-169.5	-5.1	0	0	128.4
274	S	36.5	Very low	36.5	Very low	118 Å²	118	138.9 Å²	138.9	83%	0.825	71%	0.708	S	S	*	*			trans	109.6	154.8	151.2	74.4	0	0	0	0	120.7
275	I	37.1	Very low	36.6	Very low	148 Å²	148	134.8 Å²	134.8	76%	0.759	69%	0.693	S	S	*	*			cis	-167.4	153.1	-43.4	-140.7	176.6	0	0	0	113.9
276	N	35.2	Very low	36.9	Very low	120 Å²	120	130 Å²	130	64%	0.642	69%	0.687	S	S	*	*			trans	60.4	161.4	159.5	-72.4	14.7	0	0	0	122.1
277	E	38.9	Very low	37.3	Very low	138 Å²	138	133 Å²	133	65%	0.645	69%	0.692	S	S	*	*			cis	-164.8	166.3	3.8	-128.8	168.8	-109	0	0	115.8
278	N	37.3	Very low	37.6	Very low	120 Å²	120	131.7 Å²	131.7	64%	0.642	69%	0.689	S	S	*	*			trans	67.2	154.5	151.3	-61.6	-25.9	0	0	0	122.4
279	E	38	Very low	37.9	Very low	141 Å²	141	130.3 Å²	130.3	66%	0.659	68%	0.683	S	S	*	*			cis	-170.5	171.1	-16.1	-102.5	-159.7	165.6	0	0	107.8
280	K	37.6	Very low	37.9	Very low	156 Å²	156	131.7 Å²	131.7	68%	0.678	68%	0.682	S	S	*	*			cis	177.4	-167.6	-12	-178.6	164	172.4	-176.9	0	110.5
281	S	37.7	Very low	38	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	68%	0.677	S	S	*	*			trans	77.4	110.4	167.8	66.7	0	0	0	0	118.1
282	T	38.2	Very low	38.1	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	68%	0.677	S	S	*	*				89	143.5	58.7	58.5	0	0	0	0	113.7
283	N	38.1	Very low	38.3	Very low	110 Å²	110	128.8 Å²	128.8	59%	0.588	68%	0.676	S	S	*	*			cis	-160.8	155.5	16.3	-130	24.9	0	0	0	114.2
284	E	39.5	Very low	38.3	Very low	142 Å²	142	127.5 Å²	127.5	66%	0.664	67%	0.674	S	S	*	*				50	156.7	128.9	-73.1	176.9	-147.3	0	0	123.5
285	N	37.1	Very low	38.3	Very low	112 Å²	112	127.2 Å²	127.2	60%	0.599	67%	0.672	S	S	*	*			cis	-156.5	150.9	7.1	-114	-23.5	0	0	0	114.3
286	T	39.3	Very low	38.8	Very low	109 Å²	109	126 Å²	126	67%	0.669	67%	0.674	S	S	*	*			trans	43.6	-171.2	150	64.6	0	0	0	0	119.8
287	D	40.4	Very low	38.9	Very low	142 Å²	142	125.6 Å²	125.6	76%	0.759	68%	0.68	S	S	*	*			cis	-152.5	174.6	-2.4	-97.3	-55.3	0	0	0	107.2
288	D	41.5	Very low	38.9	Very low	107 Å²	107	125.1 Å²	125.1	57%	0.572	68%	0.682	S	S	*	*				-167.6	167.4	-51.7	-176.6	27.5	0	0	0	108.9
289	Q	41.4	Very low	38.9	Very low	134 Å²	134	129 Å²	129	63%	0.626	69%	0.688	S	S	*	*			trans	76.9	119.7	162.2	-80.7	164.5	85.8	0	0	121
290	R	37	Very low	39	Very low	183 Å²	183	128 Å²	128	69%	0.691	69%	0.687	S	S	*	*				82.9	146.3	69.1	-72.5	-164.6	-155	120.4	9.7	112.9
291	N	39.2	Very low	39.2	Very low	114 Å²	114	127.5 Å²	127.5	61%	0.61	69%	0.692	S	S	*	*			cis	-163.9	166.9	-1	-119	28.6	0	0	0	111.2
292	D	38.9	Very low	39.3	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	70%	0.696	S	S	*	*			trans	56.7	150.5	140.2	-61	-18.5	0	0	0	122.6
293	S	39.8	Very low	39.3	Very low	90 Å²	90	133.3 Å²	133.3	63%	0.629	70%	0.699	S	S	*	*			cis	-172.7	174.1	-11.9	53.6	0	0	0	0	112.6
294	N	35.9	Very low	39.4	Very low	135 Å²	135	132.4 Å²	132.4	72%	0.722	70%	0.7	S	S	*	*			trans	74.8	89.9	147.5	-67.4	-38.1	0	0	0	122.8
295	S	37	Very low	39.2	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	71%	0.705	S	S	*	*				63.1	154.2	100.7	-57.2	0	0	0	0	123.5
296	P	47.1	Very low	39.2	Very low	124 Å²	124	135.8 Å²	135.8	81%	0.805	72%	0.716	S	S	*	*			trans	-125.5	-179.9	-156.7	43.9	-29.2	0	0	0	115.7
297	S	37.4	Very low	38.8	Very low	110 Å²	110	136 Å²	136	77%	0.769	72%	0.717	S	S	*	*			trans	175.1	160.4	150.4	62.4	0	0	0	0	108.6
298	N	37.5	Very low	38.3	Very low	129 Å²	129	133.6 Å²	133.6	69%	0.69	71%	0.712	S	S	*	*			cis	-167.6	162.3	1.4	-133.6	-14.9	0	0	0	111.5
299	R	38.7	Very low	37.8	Very low	202 Å²	202	137.7 Å²	137.7	76%	0.762	72%	0.724	S	S	*	*			trans	71.8	154	155.6	-61.6	-180	-169.9	172.3	2.6	120.4
300	D	40.8	Very low	37.4	Very low	119 Å²	119	136.4 Å²	136.4	64%	0.636	73%	0.73	S	S	*	*			cis	-163.5	167.2	-17.5	-91.3	-20.9	0	0	0	109.1
301	D	41.3	Very low	37	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	74%	0.736	S	S	*	*			trans	65.5	150.2	159	-53.3	-30.6	0	0	0	120.7
302	E	38.5	Very low	36.7	Very low	168 Å²	168	137 Å²	137	79%	0.785	74%	0.744	S	S	*	*			cis	-156.6	137.2	-4.7	-129.3	-178.3	159	0	0	113.8
303	Q	38.6	Very low	36.3	Very low	178 Å²	178	136.9 Å²	136.9	83%	0.832	74%	0.743	S	S	*	*			trans	33.3	162.9	154.5	-71.8	-140.5	-109.9	0	0	128.2
304	P	39.9	Very low	36.1	Very low	91 Å²	91	139.1 Å²	139.1	59%	0.591	75%	0.748	S	S	*	*			trans	-135.3	-152.2	-162.3	41.3	-18.1	0	0	0	116.5
305	D	36.7	Very low	35.8	Very low	144 Å²	144	139 Å²	139	77%	0.77	75%	0.748	S	S	*	*			trans	74.3	159.4	163.1	-57.7	-28.1	0	0	0	118.9
306	E	36.2	Very low	35.7	Very low	180 Å²	180	139.3 Å²	139.3	84%	0.841	75%	0.75	S	S	*	*			cis	-144.8	-148.4	-1.2	-143.7	-169.1	-170.9	0	0	113.2
307	T	30.8	Very low	35	Very low	113 Å²	113	139.5 Å²	139.5	69%	0.693	75%	0.749	S	S	*	*			trans	-121.6	173.3	-160.6	74.7	0	0	0	0	117.7
308	S	30.2	Very low	34.7	Very low	92 Å²	92	139.4 Å²	139.4	64%	0.643	75%	0.748	S	S	*	*			trans	92.7	117.5	143	-67.6	0	0	0	0	123.5
309	K	31.6	Very low	34.4	Very low	193 Å²	193	140.5 Å²	140.5	84%	0.839	75%	0.753	S	S	*	*			trans	65.9	126.5	135.1	-62.6	176.8	179.9	174.1	0	122.3
310	S	31.3	Very low	34.1	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	76%	0.757	S	S	*	*				135	115.6	111.6	73.3	0	0	0	0	118.4
311	I	29.5	Very low	33.6	Very low	157 Å²	157	137.4 Å²	137.4	81%	0.805	76%	0.761	S	S	*	*			trans	35.1	126.3	138.2	-27	173.5	0	0	0	120.7
312	I	33.9	Very low	33.2	Very low	154 Å²	154	138 Å²	138	79%	0.79	76%	0.764	S	S	*	*				166.9	152.5	120.3	-84.9	168.5	0	0	0	112.1
313	N	30.1	Very low	32.7	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	76%	0.76	S	S	*	*			trans	-47.6	170	176.6	-53.8	-2.6	0	0	0	115.1
314	D	34.5	Very low	32.3	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	77%	0.765	S	S	*	*				-167.4	-175.8	51.6	-129.5	-52.4	0	0	0	117.2
315	N	30.3	Very low	31.7	Very low	132 Å²	132	138.2 Å²	138.2	71%	0.706	77%	0.771	S	S	*	*			trans	-97.3	151.6	-159.4	-63.5	-93.1	0	0	0	117.1
316	S	35.4	Very low	31.2	Very low	117 Å²	117	138.1 Å²	138.1	82%	0.818	78%	0.776	S	S	*	*			trans	164.2	159.6	140.6	42	0	0	0	0	111.5
317	V	31.1	Very low	30.7	Very low	129 Å²	129	136.1 Å²	136.1	78%	0.782	77%	0.771	S	S	*	*			cis	166.8	137.8	-35.1	142.6	0	0	0	0	107.1
318	S	31.9	Very low	30.8	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	78%	0.778	S	S	*	*			trans	126.4	124.9	165.7	62.5	0	0	0	0	112.6
319	L	30.2	Very low	30.6	Very low	152 Å²	152	141.1 Å²	141.1	80%	0.796	79%	0.785	S	S	*	*			cis	94.2	108.7	34	-77.9	169.9	0	0	0	114.9
320	S	34.3	Very low	30.6	Very low	123 Å²	123	139.7 Å²	139.7	86%	0.86	78%	0.781	S	S	*	*				-177.6	151.9	128.9	30.2	0	0	0	0	111.9
321	D	29.9	Very low	30.3	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	78%	0.781	S	S	*	*			trans	-97.8	164.7	-168.2	-37.5	-98.2	0	0	0	113.5
322	N	32.1	Very low	30.3	Very low	158 Å²	158	142.2 Å²	142.2	85%	0.845	78%	0.782	S	S	*	*				-179	152.6	104.1	-98.7	-75.6	0	0	0	115.3
323	T	28.1	Very low	30	Very low	114 Å²	114	139.7 Å²	139.7	70%	0.699	77%	0.773	S	S	*	*			trans	-78.7	153.8	179.8	-42.1	0	0	0	0	113
324	Y	31.1	Very low	29.7	Very low	239 Å²	239	139.3 Å²	139.3	94%	0.937	78%	0.776	S	S	*	*				-166.3	163.4	129.7	-97	-63	0	0	0	110.6
325	A	26	Very low	29.6	Very low	87 Å²	87	140.7 Å²	140.7	72%	0.719	78%	0.778	S	S	*	*			trans	-133.5	171	-169.1	0	0	0	0	0	112.5
326	V	27.3	Very low	29.6	Very low	142 Å²	142	141.6 Å²	141.6	86%	0.861	78%	0.778	S	S	*	*			trans	169.5	150.8	138.3	150.7	0	0	0	0	111.6
327	N	25.4	Very low	29.3	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	78%	0.777	S	S	*	*			trans	-60.4	155.7	-179.8	-60	-7.7	0	0	0	115.7
328	I	31.8	Very low	29.4	Very low	164 Å²	164	142.5 Å²	142.5	84%	0.841	77%	0.773	S	S	*	*			trans	-135	134.5	138.8	-59.4	-176.9	0	0	0	108.5
329	D	25.9	Very low	29.5	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	77%	0.767	S	S	*	*			trans	-108.2	130.3	170.4	-104.8	-51.5	0	0	0	109
330	E	32.7	Very low	29.4	Very low	162 Å²	162	142.4 Å²	142.4	76%	0.757	77%	0.765	S	S	*	*			trans	-162.2	106.5	160.3	-112.9	165.9	-173.5	0	0	108.7
331	Q	25.4	Very low	29.2	Very low	163 Å²	163	142.9 Å²	142.9	76%	0.762	76%	0.757	S	S	*	*				57.9	113.1	88.5	-64.4	-168.5	92.5	0	0	115.9
332	L	28.2	Very low	29.1	Very low	155 Å²	155	145 Å²	145	81%	0.812	76%	0.763	S	S	*	*				-170.2	156.5	111	-122.2	76.3	0	0	0	114
333	T	28.3	Very low	28.8	Very low	100 Å²	100	143.1 Å²	143.1	61%	0.613	76%	0.757	S	S	*	*			trans	-6.8	136.4	161.7	53.1	0	0	0	0	120.2
334	T	24	Very low	28.7	Very low	125 Å²	125	144.2 Å²	144.2	77%	0.767	76%	0.764	S	S	*	*			cis	71.5	112.5	39.6	73.5	0	0	0	0	117.4
335	H	32.8	Very low	28.3	Very low	166 Å²	166	141.3 Å²	141.3	77%	0.769	76%	0.764	S	S	*	*			trans	-154.3	133.6	154.1	-100.7	-86.6	0	0	0	111.8
336	E	29.8	Very low	28.3	Very low	151 Å²	151	143 Å²	143	71%	0.706	77%	0.77	S	S	*	*			trans	30.7	131	148.8	-67.2	153.8	150	0	0	122.2
337	I	28.3	Very low	28.4	Very low	155 Å²	155	140.7 Å²	140.7	80%	0.795	77%	0.766	S	S	*	*			cis	79.7	134.8	21.4	-45.8	159.6	0	0	0	113.5
338	P	33.8	Very low	28.3	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	77%	0.767	S	S	*	*			cis	-134.5	-126.9	-42.7	42.1	-19.9	0	0	0	109.7
339	P	34.5	Very low	28.2	Very low	95 Å²	95	137.1 Å²	137.1	62%	0.617	77%	0.766	S	S	*	*			cis	-130	-179.9	-43.5	38.7	-21.3	0	0	0	115.7
340	E	28.1	Very low	28.2	Very low	162 Å²	162	135.5 Å²	135.5	76%	0.757	77%	0.767	S	S	*	*			trans	74.1	151.5	136	-92.7	167.2	-151.6	0	0	125.5
341	I	29.1	Very low	28.3	Very low	134 Å²	134	133.1 Å²	133.1	69%	0.687	77%	0.765	S	S	*	*			trans	73.1	135.5	152.5	-69.7	159.7	0	0	0	116.6
342	E	28.6	Very low	28.5	Very low	178 Å²	178	134.4 Å²	134.4	83%	0.832	77%	0.771	S	S	*	*			cis	-142.1	162.6	8.4	-149.7	152.3	-139.1	0	0	115.6
343	T	24.8	Very low	28.3	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	77%	0.77	S	S	*	*			trans	-79.6	142.7	175.5	-39.7	0	0	0	0	112.6
344	T	26.1	Very low	28.2	Very low	138 Å²	138	138.3 Å²	138.3	85%	0.847	78%	0.782	S	S	*	*				173.5	146.8	118.1	32.4	0	0	0	0	114.6
345	L	23.9	Very low	28.3	Very low	178 Å²	178	137.8 Å²	137.8	93%	0.932	78%	0.781	S	S	*	*			trans	-118	137.7	172.8	-82.4	163.9	0	0	0	110.1
346	S	26.2	Very low	27.9	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	79%	0.787	S	S	*	*			trans	-167.8	142.5	158.5	58	0	0	0	0	110.1
347	A	27.7	Very low	27.8	Very low	95 Å²	95	134.4 Å²	134.4	79%	0.785	79%	0.793	S	S	*	*			cis	-156.2	166.2	-15.2	0	0	0	0	0	110.7
348	S	24.8	Very low	27.6	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	80%	0.795	S	S	*	*			trans	-47.9	147.6	178	54.2	0	0	0	0	118.3
349	S	29.8	Very low	27.4	Very low	120 Å²	120	134.9 Å²	134.9	84%	0.839	80%	0.799	S	S	*	*				-153.2	135.9	129.8	59.6	0	0	0	0	110.7
350	S	26.1	Very low	26.9	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	81%	0.813	S	S	*	*			trans	-108.6	-163.3	-165.5	-39.5	0	0	0	0	112.4
351	P	34.7	Very low	26.7	Very low	111 Å²	111	137 Å²	137	72%	0.721	81%	0.808	S	S	*	*				-120.5	-172.7	-129.5	37.6	-17.2	0	0	0	114.4
352	H	28.9	Very low	26.7	Very low	191 Å²	191	137.6 Å²	137.6	88%	0.884	81%	0.812	S	S	*	*			trans	-135.3	153	159.3	-93.6	-74.8	0	0	0	112.5
353	Q	24.9	Very low	26.6	Very low	171 Å²	171	134.7 Å²	134.7	80%	0.799	81%	0.812	S	S	*	*			trans	-92.2	163.6	-173.5	-53.8	151.9	-76.2	0	0	111.6
354	L	26.5	Very low	26.8	Very low	166 Å²	166	133.1 Å²	133.1	87%	0.869	80%	0.802	S	S	*	*				-163.3	173.9	120.1	-119.4	72.2	0	0	0	108.6
355	P	25.4	Very low	27.1	Very low	113 Å²	113	132 Å²	132	73%	0.734	80%	0.799	S	S	*	*				-121.3	165.3	-129.8	34.1	-14.3	0	0	0	116.2
356	T	24.5	Very low	27.4	Very low	146 Å²	146	132.3 Å²	132.3	90%	0.896	80%	0.795	S	S	*	*			trans	-67.7	135.4	167.7	49.3	0	0	0	0	112
357	A	28.1	Very low	27.7	Very low	100 Å²	100	130.2 Å²	130.2	83%	0.826	78%	0.781	S	S	*	*			trans	-123.7	139.4	168.3	0	0	0	0	0	110.2
358	S	22.9	Very low	27.8	Very low	120 Å²	120	133.7 Å²	133.7	84%	0.839	78%	0.781	S	S	*	*			trans	-77.7	146.9	-174.6	-37.8	0	0	0	0	112.6
359	L	29.3	Very low	28.1	Very low	156 Å²	156	136.4 Å²	136.4	82%	0.817	79%	0.786	S	S	*	*			trans	-146.4	88.4	165.5	-114.9	164.3	0	0	0	111.5	T361	L359-T361 WeakPolarHBondContact CD2-OG1 3.5Å; L359-T361 PolarHBondContact O-N 2.74Å; L359-T361 VanDerWaalsContact O-N 3.16Å
360	E	23.9	Very low	28	Very low	194 Å²	194	137.2 Å²	137.2	91%	0.907	78%	0.78	S	S	*	*			trans	-73.4	91.5	164.1	-66.2	178.2	135.6	0	0	109
361	T	25	Very low	28.1	Very low	107 Å²	107	140.7 Å²	140.7	66%	0.656	78%	0.784	S	S	*	*			trans	-168.1	116.2	160.5	-2	0	0	0	0	112.2	L359	L359-T361 WeakPolarHBondContact CD2-OG1 3.5Å; L359-T361 PolarHBondContact O-N 2.74Å; L359-T361 VanDerWaalsContact O-N 3.16Å
362	L	28.2	Very low	27.9	Very low	146 Å²	146	144.5 Å²	144.5	76%	0.764	79%	0.789	S	S	*	*			trans	173.7	30.8	140	-94.7	164.9	0	0	0	113	T364	L362-T364 PolarHBondContact O-N 2.93Å
363	S	27.4	Very low	28	Very low	118 Å²	118	143.5 Å²	143.5	83%	0.825	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	61.6	176.8	59.7	0	0	0	0	112.1
364	T	28.9	Very low	28.2	Very low	84 Å²	84	142.9 Å²	142.9	52%	0.515	79%	0.787	S	S	.	*	T	Hydrogen-bonded Turn	trans	-149.6	-14.4	-167.2	-28.4	0	0	0	0	116.4	L362	L362-T364 PolarHBondContact O-N 2.93Å
365	C	31.4	Very low	28.3	Very low	115 Å²	115	142.3 Å²	142.3	78%	0.777	79%	0.785	S	S	*	*	S	Bend	trans	-91.2	-28.9	-177.9	-81.1	0	0	0	0	115.3	S367	C365-S367 PolarHBondContact O-N 2.81Å
366	E	31	Very low	28.7	Very low	184 Å²	184	143 Å²	143	86%	0.86	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-67.9	-23	176.2	-63.4	-176.9	113.9	0	0	113	Q368	E366-Q368 PolarHBondContact O-N 2.89Å
367	S	32.5	Very low	28.9	Very low	78 Å²	78	145.2 Å²	145.2	55%	0.545	79%	0.792	S	S	.	*	G	3₁₀ helix	trans	-88.5	4.1	-163.5	-43.4	0	0	0	0	116	C365	C365-S367 PolarHBondContact O-N 2.81Å
368	Q	30.1	Very low	29.1	Very low	167 Å²	167	148 Å²	148	78%	0.78	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-106.5	-3.5	-173.7	-65.4	-160.8	8.5	0	0	116.2	E366	E366-Q368 PolarHBondContact O-N 2.89Å
369	L	31.3	Very low	29.4	Very low	165 Å²	165	151.2 Å²	151.2	86%	0.864	79%	0.792	S	S	*	*	S	Bend	trans	-101.5	-0.5	170.5	-74.1	170.4	0	0	0	113.7
370	L	27.7	Very low	29.4	Very low	138 Å²	138	151.4 Å²	151.4	72%	0.723	79%	0.794	S	S	*	*	S	Bend	trans	-113.2	63.8	-178.4	-73.1	171.3	0	0	0	112.5
371	Q	27.9	Very low	29.7	Very low	185 Å²	185	149 Å²	149	86%	0.864	79%	0.792	S	S	*	*			trans	-171.4	75.8	160.8	-111.4	153.6	102.7	0	0	115.4
372	K	30.3	Very low	29.9	Very low	191 Å²	191	149.6 Å²	149.6	83%	0.83	80%	0.796	S	S	*	*			trans	-163.7	152.4	144.2	-119.8	178.2	-178.6	-174.4	0	114.4
373	E	31.3	Very low	29.9	Very low	170 Å²	170	151.9 Å²	151.9	79%	0.794	80%	0.8	S	S	*	*			trans	63.1	83.8	162.9	-62	-175.2	-179.8	0	0	117.9
374	N	28.2	Very low	30.2	Very low	157 Å²	157	155.4 Å²	155.4	84%	0.84	80%	0.801	S	S	*	*			trans	-68.1	124.8	144	-59	-57.6	0	0	0	109
375	N	29.9	Very low	31.3	Very low	155 Å²	155	156 Å²	156	83%	0.829	80%	0.804	S	S	*	*			trans	178.9	150.8	138.6	-95.6	-30.6	0	0	0	113.1
376	S	33.2	Very low	32.9	Very low	126 Å²	126	154.1 Å²	154.1	88%	0.881	79%	0.792	S	S	*	*			trans	67.8	150.6	176.2	72.5	0	0	0	0	117
377	E	29.4	Very low	35.2	Very low	193 Å²	193	146.8 Å²	146.8	90%	0.902	76%	0.759	S	S	*	*			trans	-97.3	115.1	-176.8	-58.6	169	108.3	0	0	109.9
378	D	32.4	Very low	37.8	Very low	158 Å²	158	143.8 Å²	143.8	85%	0.845	74%	0.737	S	S	*	*			trans	-158.1	158	133.8	-129.9	-33.3	0	0	0	112.8
379	K	28.9	Very low	40.7	Very low	188 Å²	188	136.3 Å²	136.3	82%	0.817	70%	0.702	S	S	*	*			trans	-103.8	102.9	-159.1	-63.5	170.2	-172.8	167.8	0	113.7
380	N	27.6	Very low	43.5	Very low	161 Å²	161	128.5 Å²	128.5	86%	0.861	66%	0.661	S	S	*	*			trans	-145.5	97.5	154.5	-88.8	-56.2	0	0	0	109.7	T382	N380-T382 PolarHBondContact O-N 2.81Å
381	V	30.4	Very low	46.4	Very low	143 Å²	143	123.8 Å²	123.8	87%	0.867	63%	0.634	S	S	*	*			trans	-59.3	132.7	173.1	178	0	0	0	0	108.3	K383	V381-K383 PolarHBondContact O-N 2.88Å
382	T	29.2	Very low	49.3	Very low	120 Å²	120	115 Å²	115	74%	0.736	59%	0.593	S	S	*	*			trans	-53.1	106.5	-167.8	46	0	0	0	0	111.9	N380 F384	N380-T382 PolarHBondContact O-N 2.81Å; T382-F384 PolarHBondContact O-N 2.95Å
383	K	28	Very low	51.9	Low	193 Å²	193	107.3 Å²	107.3	84%	0.839	56%	0.562	S	S	*	*			trans	-63.8	103.2	175.7	-175	-179.8	-177.1	-177.1	0	108.2	V381 T385	V381-K383 PolarHBondContact O-N 2.88Å; K383-T385 PolarHBondContact O-N 3.34Å; K383-T385 VanDerWaalsContact O-N 3.1Å
384	F	35.1	Very low	54.3	Low	193 Å²	193	99.4 Å²	99.4	85%	0.846	53%	0.525	S	S	*	.			trans	-47.8	121	168.5	-82	-93.9	0	0	0	108	T382 S386	T382-F384 PolarHBondContact O-N 2.95Å; F384-S386 PolarHBondContact O-N 3.42Å
385	T	51	Low	56.6	Low	96 Å²	96	95.2 Å²	95.2	59%	0.589	51%	0.506	S	S	*	.			trans	-67	119.8	176.8	38	0	0	0	0	107.7	K383 D387	K383-T385 PolarHBondContact O-N 3.34Å; K383-T385 VanDerWaalsContact O-N 3.1Å; T385-D387 PolarHBondContact O-N 2.83Å
386	S	65.1	Low	58.6	Low	75 Å²	75	91 Å²	91	52%	0.524	50%	0.498	S	S	.	.	S	Bend	trans	-66.3	7.6	179	43.9	0	0	0	0	113.8	F384 A405 V406	F384-S386 PolarHBondContact O-N 3.42Å; S386-A405 CarbonylContact O-C 3.5Å; S386-A405 WeakPolarHBondContact O-CA 3.34Å; S386-V406 PolarHBondContact O-N 3.3Å
387	D	79.9	Confident	60.5	Low	30 Å²	30	91.6 Å²	91.6	16%	0.16	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129	-154.8	-71.1	51.5	0	0	0	109.8	T385 R403 L404	T385-D387 PolarHBondContact O-N 2.83Å; D387-R403 HydrophobicContact CB-CG 4.04Å; D387-R403 IonicContact OD2-CZ 2.62Å; D387-R403 IonicContact OD2-NE 3.94Å; D387-R403 PolarHBondContact OD2-NE 3.45Å; D387-R403 IonicContact OD2-NH2 2.66Å; D387-R403 PolarHBondContact OD2-NH2 3Å; D387-L404 CarbonylContact C-O 3.59Å; D387-L404 VanDerWaalsContact CA-O 3.28Å; D387-L404 WeakPolarHBondContact CA-O 3.2Å
388	L	87.8	Confident	62.9	Low	16 Å²	16	85.7 Å²	85.7	8%	0.084	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	163.5	176.4	-77.6	175.3	0	0	0	110.1	T235 V237 R403 L404 V406 L409 V461 M464	T235-L388 HydrophobicContact CG2-CB 3.94Å; T235-L388 HydrophobicContact CG2-CD1 4.2Å; T235-L388 HydrophobicContact CG2-CD2 4.38Å; T235-L388 HydrophobicContact CG2-CG 4.42Å; V237-L388 HydrophobicContact CG1-CD2 4.14Å; L388-R403 WeakPolarHBondContact O-CA 3.27Å; L388-L404 PolarHBondContact N-O 2.9Å; L388-L404 PolarHBondContact O-N 3.11Å; L388-L404 VanDerWaalsContact O-O 3.13Å; L388-V406 HydrophobicContact CD1-CG2 3.92Å; L388-V406 HydrophobicContact CG-CG2 3.98Å; L388-L409 HydrophobicContact CB-CD2 3.4Å; L388-L409 HydrophobicContact CD1-CD2 4.06Å; L388-L409 HydrophobicContact CG-CD2 4.39Å; L388-V461 HydrophobicContact CD1-CG2 4.24Å; L388-M464 HydrophobicContact CD1-CE 3.94Å; L388-M464 HydrophobicContact CD1-SD 3.93Å
389	Y	89.4	Confident	65.3	Low	10 Å²	10	80 Å²	80	4%	0.039	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.5	-173.7	-64.1	-99.1	0	0	0	112	V133 L137 T235 L236 E238 V241 K391 I401 F402 R403	V133-Y389 HydrophobicContact CG2-CD1 4.14Å; V133-Y389 HydrophobicContact CG2-CE1 4.13Å; L137-Y389 HydrophobicContact CD2-CE1 3.65Å; L137-Y389 WeakPolarHBondContact CD2-OH 3.17Å; T235-Y389 CarbonylContact C-O 3.05Å; T235-Y389 WeakPolarHBondContact CA-O 3.43Å; L236-Y389 PolarHBondContact N-O 2.8Å; L236-Y389 PolarHBondContact O-N 2.99Å; E238-Y389 HydrophobicContact CB-CE2 3.9Å; E238-Y389 HydrophobicContact CG-CE2 4.19Å; V241-Y389 HydrophobicContact CG2-CD1 3.9Å; V241-Y389 HydrophobicContact CG2-CD2 3.99Å; V241-Y389 HydrophobicContact CG2-CE1 4.48Å; V241-Y389 HydrophobicContact CG2-CG 3.62Å; Y389-K391 PolarHBondContact O-N 3.05Å; Y389-I401 HydrophobicContact CD1-CG2 4.03Å; Y389-I401 HydrophobicContact CG-CG2 4.46Å; Y389-F402 CarbonylContact C-O 3.6Å; Y389-F402 WeakPolarHBondContact CA-O 3.33Å; Y389-R403 HydrophobicContact CD1-CB 3.68Å; Y389-R403 HydrophobicContact CD1-CG 3.78Å; Y389-R403 HydrophobicContact CD2-CG 4.34Å; Y389-R403 HydrophobicContact CE1-CB 3.56Å; Y389-R403 HydrophobicContact CE1-CG 3.44Å; Y389-R403 VanDerWaalsContact CE1-CG 3.44Å; Y389-R403 HydrophobicContact CE2-CG 4.03Å; Y389-R403 HydrophobicContact CG-CB 4.45Å; Y389-R403 HydrophobicContact CG-CG 4.22Å; Y389-R403 VanDerWaalsContact CZ-CD 3.46Å; Y389-R403 VanDerWaalsContact OH-CD 3.29Å; Y389-R403 WeakPolarHBondContact OH-CD 3.16Å
390	L	90.4	Very high	68.1	Low	0 Å²	0	72.1 Å²	72.1	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.3	170.8	179.7	59.1	0	0	0	110	M233 I392 I401 F402 L404 L409 V412 Y413 L416	M233-L390 HydrophobicContact CB-CD1 4.32Å; L390-I392 HydrophobicContact CD1-CG1 4.5Å; L390-I392 HydrophobicContact CD2-CD1 4.12Å; L390-I392 HydrophobicContact CD2-CG1 4.23Å; L390-I392 HydrophobicContact CG-CD1 4.4Å; L390-I392 HydrophobicContact CG-CG1 3.97Å; L390-I401 CarbonylContact O-C 3.59Å; L390-I401 WeakPolarHBondContact O-CA 3.28Å; L390-F402 PolarHBondContact N-O 3.05Å; L390-F402 PolarHBondContact O-N 3.23Å; L390-L404 HydrophobicContact CB-CD1 3.9Å; L390-L404 HydrophobicContact CD2-CD1 4.43Å; L390-L409 HydrophobicContact CB-CD1 3.76Å; L390-L409 HydrophobicContact CD1-CD1 4.31Å; L390-L409 HydrophobicContact CD2-CD1 4.28Å; L390-L409 HydrophobicContact CG-CD1 4.34Å; L390-V412 HydrophobicContact CD2-CG1 3.61Å; L390-Y413 HydrophobicContact CD1-CD2 3.96Å; L390-Y413 HydrophobicContact CD1-CE2 4.14Å; L390-L416 HydrophobicContact CD2-CD1 4.29Å
391	K	90	Very high	71.1	Confident	40 Å²	40	65 Å²	65	17%	0.174	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.3	164.3	179	169.7	180	167.5	0	109.8	M233 K234 L236 I244 Y389 T399 H400 I401	M233-K391 CarbonylContact C-O 3.51Å; M233-K391 VanDerWaalsContact CA-O 3.31Å; M233-K391 WeakPolarHBondContact CA-O 3.48Å; K234-K391 PolarHBondContact N-O 2.83Å; K234-K391 WeakPolarHBondContact O-CA 3.21Å; K234-K391 WeakPolarHBondContact O-CB 3.38Å; K234-K391 PolarHBondContact O-N 3.5Å; L236-K391 HydrophobicContact CD1-CB 3.69Å; L236-K391 HydrophobicContact CD1-CD 4.12Å; L236-K391 HydrophobicContact CD1-CG 4.48Å; L236-K391 HydrophobicContact CG-CB 4.07Å; I244-K391 HydrophobicContact CD1-CD 4.24Å; Y389-K391 PolarHBondContact O-N 3.05Å; K391-T399 VanDerWaalsContact CE-CB 3.42Å; K391-T399 VanDerWaalsContact CE-CG2 3.48Å; K391-T399 WeakPolarHBondContact CE-OG1 3.19Å; K391-H400 WeakPolarHBondContact CA-O 3.33Å; K391-I401 HydrophobicContact CB-CG1 4.09Å; K391-I401 HydrophobicContact CD-CD1 4.44Å; K391-I401 HydrophobicContact CD-CG1 4.42Å; K391-I401 HydrophobicContact CG-CG1 4.09Å
392	I	87.5	Confident	74	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.3	171.5	-55.6	-173.2	0	0	0	107.4	L152 I230 L390 L394 T399 H400 F402	L152-I392 HydrophobicContact CD1-CD1 3.6Å; L152-I392 HydrophobicContact CD2-CD1 3.69Å; L152-I392 HydrophobicContact CG-CD1 4.31Å; I230-I392 HydrophobicContact CB-CG2 4.28Å; I230-I392 HydrophobicContact CD1-CG2 3.95Å; I230-I392 HydrophobicContact CG1-CG2 3.82Å; I230-I392 HydrophobicContact CG2-CG2 3.56Å; L390-I392 HydrophobicContact CD1-CG1 4.5Å; L390-I392 HydrophobicContact CD2-CD1 4.12Å; L390-I392 HydrophobicContact CD2-CG1 4.23Å; L390-I392 HydrophobicContact CG-CD1 4.4Å; L390-I392 HydrophobicContact CG-CG1 3.97Å; I392-L394 HydrophobicContact CG2-CD2 3.8Å; I392-T399 CarbonylContact O-C 3.58Å; I392-T399 VanDerWaalsContact O-CA 3.23Å; I392-T399 WeakPolarHBondContact O-CA 3.48Å; I392-T399 WeakPolarHBondContact O-CB 3.28Å; I392-H400 PolarHBondContact N-O 3.2Å; I392-H400 PolarHBondContact O-N 3.37Å; I392-F402 HydrophobicContact CD1-CD2 4.27Å; I392-F402 HydrophobicContact CD1-CE2 3.96Å; I392-F402 HydrophobicContact CG1-CE2 4.42Å
393	T	84.8	Confident	76.9	Confident	30 Å²	30	55.1 Å²	55.1	18%	0.184	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.3	174.2	-59.5	0	0	0	0	108.7	V231 A232 T399	V231-T393 PolarHBondContact N-O 3.23Å; A232-T393 PolarHBondContact N-O 3.05Å; A232-T393 PolarHBondContact O-N 3.22Å; T393-T399 HydrophobicContact CG2-CG2 4.09Å
394	L	83	Confident	79.9	Confident	3 Å²	3	46 Å²	46	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	171.9	-178.4	-49.3	-176.9	0	0	0	111.7	I80 I225 S229 I230 I392 G396 D397 I398	I80-L394 HydrophobicContact CD1-CD1 3.42Å; I80-L394 VanDerWaalsContact CD1-CD1 3.42Å; I225-L394 HydrophobicContact CD1-CD1 4.45Å; I225-L394 HydrophobicContact CD1-CD2 4.4Å; I225-L394 HydrophobicContact CG2-CD1 4.11Å; I225-L394 HydrophobicContact CG2-CD2 3.49Å; I225-L394 VanDerWaalsContact CG2-CD2 3.49Å; I225-L394 HydrophobicContact CG2-CG 4.47Å; S229-L394 CarbonylContact O-C 3.54Å; S229-L394 WeakPolarHBondContact O-CA 3.38Å; I230-L394 HydrophobicContact CB-CD2 4.43Å; I230-L394 HydrophobicContact CG1-CD2 3.79Å; I392-L394 HydrophobicContact CG2-CD2 3.8Å; L394-G396 PolarHBondContact O-N 3.19Å; L394-D397 PolarHBondContact O-N 2.81Å; L394-I398 HydrophobicContact CB-CB 4.32Å; L394-I398 HydrophobicContact CD1-CB 4.38Å; L394-I398 HydrophobicContact CD1-CG2 4.17Å; L394-I398 PolarHBondContact N-O 3.42Å
395	V	74.5	Confident	82.2	Confident	70 Å²	70	38.2 Å²	38.2	42%	0.424	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	129.7	163.8	-178.5	0	0	0	0	109.1	S229 V231	S229-V395 PolarHBondContact O-N 3.37Å; V231-V395 HydrophobicContact CG2-CB 4.32Å; V231-V395 HydrophobicContact CG2-CG2 3.59Å
396	G	73.3	Confident	83.6	Confident	65 Å²	65	35.8 Å²	35.8	67%	0.67	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	24.4	-177.4	0	0	0	0	0	115.4	L394 I398	L394-G396 PolarHBondContact O-N 3.19Å; G396-I398 PolarHBondContact O-N 2.82Å
397	D	72.4	Confident	84.2	Confident	140 Å²	140	35.9 Å²	35.9	75%	0.749	21%	0.209	S	C	*	.	S	Bend	trans	58.9	12.4	174.4	-64.9	-48.6	0	0	0	116	L394 T399	L394-D397 PolarHBondContact O-N 2.81Å; D397-T399 VanDerWaalsContact O-CG2 3.25Å; D397-T399 WeakPolarHBondContact O-CG2 3.38Å; D397-T399 PolarHBondContact O-N 2.84Å
398	I	79.5	Confident	84.4	Confident	69 Å²	69	39.2 Å²	39.2	35%	0.354	22%	0.22	S	C	.	.			trans	-65.4	124.5	170.5	-59.5	174.9	0	0	0	107.9	L394 G396	L394-I398 HydrophobicContact CB-CB 4.32Å; L394-I398 HydrophobicContact CD1-CB 4.38Å; L394-I398 HydrophobicContact CD1-CG2 4.17Å; L394-I398 PolarHBondContact N-O 3.42Å; G396-I398 PolarHBondContact O-N 2.82Å
399	T	83.9	Confident	84.3	Confident	39 Å²	39	38.5 Å²	38.5	24%	0.239	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.3	179.8	88.6	0	0	0	0	113.6	K391 I392 T393 D397	K391-T399 VanDerWaalsContact CE-CB 3.42Å; K391-T399 VanDerWaalsContact CE-CG2 3.48Å; K391-T399 WeakPolarHBondContact CE-OG1 3.19Å; I392-T399 CarbonylContact O-C 3.58Å; I392-T399 VanDerWaalsContact O-CA 3.23Å; I392-T399 WeakPolarHBondContact O-CA 3.48Å; I392-T399 WeakPolarHBondContact O-CB 3.28Å; T393-T399 HydrophobicContact CG2-CG2 4.09Å; D397-T399 VanDerWaalsContact O-CG2 3.25Å; D397-T399 WeakPolarHBondContact O-CG2 3.38Å; D397-T399 PolarHBondContact O-N 2.84Å
400	H	86.9	Confident	83.8	Confident	22 Å²	22	39.8 Å²	39.8	10%	0.102	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.1	179.3	-61.1	-31.3	0	0	0	109.4	L223 K391 I392 F402	L223-H400 HydrophobicContact CD1-CB 4.37Å; L223-H400 WeakPolarHBondContact CD1-CD2 3.32Å; K391-H400 WeakPolarHBondContact CA-O 3.33Å; I392-H400 PolarHBondContact N-O 3.2Å; I392-H400 PolarHBondContact O-N 3.37Å; H400-F402 HydrophobicContact CB-CE2 3.8Å; H400-F402 HydrophobicContact CB-CZ 4.13Å
401	I	90.2	Very high	83.3	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.6	-177.2	-56.4	178.5	0	0	0	108.9	V133 L236 V241 I244 Y389 L390 K391	V133-I401 HydrophobicContact CB-CB 4.19Å; V133-I401 HydrophobicContact CB-CG2 4.46Å; V133-I401 HydrophobicContact CG2-CB 4.17Å; V133-I401 HydrophobicContact CG2-CG2 3.91Å; V133-I401 PolarHBondContact N-O 3.08Å; L236-I401 HydrophobicContact CD1-CD1 4.15Å; V241-I401 HydrophobicContact CG1-CD1 4.43Å; V241-I401 HydrophobicContact CG2-CG2 4.24Å; I244-I401 HydrophobicContact CD1-CD1 4.45Å; I244-I401 HydrophobicContact CG2-CD1 4.42Å; Y389-I401 HydrophobicContact CD1-CG2 4.03Å; Y389-I401 HydrophobicContact CG-CG2 4.46Å; L390-I401 CarbonylContact O-C 3.59Å; L390-I401 WeakPolarHBondContact O-CA 3.28Å; K391-I401 HydrophobicContact CB-CG1 4.09Å; K391-I401 HydrophobicContact CD-CD1 4.44Å; K391-I401 HydrophobicContact CD-CG1 4.42Å; K391-I401 HydrophobicContact CG-CG1 4.09Å
402	F	91.4	Very high	83.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.1	179.7	-56.9	-88.1	0	0	0	109.8	F131 R132 L145 L152 F154 L223 Y389 L390 I392 H400 L404	F131-F402 CarbonylContact O-C 3.49Å; F131-F402 WeakPolarHBondContact O-CA 3.45Å; R132-F402 HydrophobicContact CB-CD1 3.91Å; R132-F402 HydrophobicContact CB-CE1 4.02Å; R132-F402 HydrophobicContact CG-CD1 4.12Å; R132-F402 HydrophobicContact CG-CE1 3.93Å; L145-F402 HydrophobicContact CD1-CD1 4.01Å; L145-F402 HydrophobicContact CD1-CE1 3.86Å; L145-F402 HydrophobicContact CD1-CG 4.4Å; L145-F402 HydrophobicContact CD1-CZ 4.12Å; L152-F402 HydrophobicContact CD2-CE2 4.43Å; L152-F402 HydrophobicContact CD2-CZ 4.5Å; F154-F402 HydrophobicContact CB-CE1 3.79Å; F154-F402 HydrophobicContact CB-CZ 4.35Å; F154-F402 HydrophobicContact CD1-CE1 4.25Å; F154-F402 HydrophobicContact CD2-CD1 4.03Å; F154-F402 AromaticContact CD2-CE1 3.78Å; F154-F402 HydrophobicContact CD2-CE1 3.78Å; F154-F402 HydrophobicContact CE2-CD1 4.36Å; F154-F402 HydrophobicContact CE2-CE1 4.44Å; F154-F402 HydrophobicContact CG-CD1 4.37Å; F154-F402 AromaticContact CG-CE1 3.68Å; F154-F402 HydrophobicContact CG-CE1 3.68Å; L223-F402 HydrophobicContact CD1-CZ 4.15Å; Y389-F402 CarbonylContact C-O 3.6Å; Y389-F402 WeakPolarHBondContact CA-O 3.33Å; L390-F402 PolarHBondContact N-O 3.05Å; L390-F402 PolarHBondContact O-N 3.23Å; I392-F402 HydrophobicContact CD1-CD2 4.27Å; I392-F402 HydrophobicContact CD1-CE2 3.96Å; I392-F402 HydrophobicContact CG1-CE2 4.42Å; H400-F402 HydrophobicContact CB-CE2 3.8Å; H400-F402 HydrophobicContact CB-CZ 4.13Å; F402-L404 HydrophobicContact CB-CD1 3.81Å
403	R	91.6	Very high	82.8	Confident	56 Å²	56	41.7 Å²	41.7	21%	0.211	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.3	168	-157.5	-174.9	93.7	-153	5.8	109	A130 F131 L140 D387 L388 Y389	A130-R403 WeakPolarHBondContact CA-O 3.26Å; F131-R403 HydrophobicContact CB-CB 4.16Å; F131-R403 PolarHBondContact N-O 3.47Å; F131-R403 PolarHBondContact O-N 3.39Å; L140-R403 VanDerWaalsContact CD1-NH1 3.33Å; D387-R403 HydrophobicContact CB-CG 4.04Å; D387-R403 IonicContact OD2-CZ 2.62Å; D387-R403 IonicContact OD2-NE 3.94Å; D387-R403 PolarHBondContact OD2-NE 3.45Å; D387-R403 IonicContact OD2-NH2 2.66Å; D387-R403 PolarHBondContact OD2-NH2 3Å; L388-R403 WeakPolarHBondContact O-CA 3.27Å; Y389-R403 HydrophobicContact CD1-CB 3.68Å; Y389-R403 HydrophobicContact CD1-CG 3.78Å; Y389-R403 HydrophobicContact CD2-CG 4.34Å; Y389-R403 HydrophobicContact CE1-CB 3.56Å; Y389-R403 HydrophobicContact CE1-CG 3.44Å; Y389-R403 VanDerWaalsContact CE1-CG 3.44Å; Y389-R403 HydrophobicContact CE2-CG 4.03Å; Y389-R403 HydrophobicContact CG-CB 4.45Å; Y389-R403 HydrophobicContact CG-CG 4.22Å; Y389-R403 VanDerWaalsContact CZ-CD 3.46Å; Y389-R403 VanDerWaalsContact OH-CD 3.29Å; Y389-R403 WeakPolarHBondContact OH-CD 3.16Å
404	L	89.4	Confident	82.2	Confident	2 Å²	2	42 Å²	42	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150	177.2	-67.6	112.2	0	0	0	109.7	V128 A130 L145 D387 L388 L390 F402 R408 L409 V412	V128-L404 HydrophobicContact CB-CD2 4.43Å; V128-L404 HydrophobicContact CG2-CD2 3.43Å; V128-L404 VanDerWaalsContact CG2-CD2 3.43Å; A130-L404 HydrophobicContact CB-CD2 3.9Å; A130-L404 HydrophobicContact CB-CG 3.82Å; L145-L404 HydrophobicContact CD2-CD1 4.49Å; L145-L404 HydrophobicContact CD2-CD2 4.11Å; D387-L404 CarbonylContact C-O 3.59Å; D387-L404 VanDerWaalsContact CA-O 3.28Å; D387-L404 WeakPolarHBondContact CA-O 3.2Å; L388-L404 PolarHBondContact N-O 2.9Å; L388-L404 PolarHBondContact O-N 3.11Å; L388-L404 VanDerWaalsContact O-O 3.13Å; L390-L404 HydrophobicContact CB-CD1 3.9Å; L390-L404 HydrophobicContact CD2-CD1 4.43Å; F402-L404 HydrophobicContact CB-CD1 3.81Å; L404-R408 HydrophobicContact CD2-CB 4.28Å; L404-L409 HydrophobicContact CB-CB 4.19Å; L404-L409 HydrophobicContact CD1-CD1 4.17Å; L404-V412 HydrophobicContact CD2-CG2 4.01Å
405	A	85.1	Confident	82.2	Confident	29 Å²	29	42.8 Å²	42.8	24%	0.24	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	145.7	165.4	0	0	0	0	0	110.4	S386 D407 R408 L409	S386-A405 CarbonylContact O-C 3.5Å; S386-A405 WeakPolarHBondContact O-CA 3.34Å; A405-D407 VanDerWaalsContact C-N 3.28Å; A405-D407 WeakPolarHBondContact CB-OD1 3.25Å; A405-D407 PolarHBondContact O-N 3.05Å; A405-R408 HydrophobicContact CB-CG 4.33Å; A405-R408 WeakPolarHBondContact O-CA 3.22Å; A405-R408 WeakPolarHBondContact O-CB 3.42Å; A405-R408 PolarHBondContact O-N 3.28Å; A405-L409 PolarHBondContact O-N 3.28Å
406	V	80	Confident	82.6	Confident	46 Å²	46	39.5 Å²	39.5	28%	0.279	22%	0.221	S	C	.	.	H	α-helix	trans	-54.9	-42.6	-173.5	175	0	0	0	0	112.1	S386 L388 R408 L409 T410	S386-V406 PolarHBondContact O-N 3.3Å; L388-V406 HydrophobicContact CD1-CG2 3.92Å; L388-V406 HydrophobicContact CG-CG2 3.98Å; V406-R408 VanDerWaalsContact C-N 3.3Å; V406-R408 PolarHBondContact O-N 3.25Å; V406-L409 PolarHBondContact O-N 2.79Å; V406-T410 PolarHBondContact O-N 3.1Å; V406-T410 PolarHBondContact O-OG1 3.38Å
407	D	77.5	Confident	82.8	Confident	77 Å²	77	40.5 Å²	40.5	41%	0.412	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-35.4	177.9	71.1	-45.2	0	0	0	112.8	A405 Q411	A405-D407 VanDerWaalsContact C-N 3.28Å; A405-D407 WeakPolarHBondContact CB-OD1 3.25Å; A405-D407 PolarHBondContact O-N 3.05Å; D407-Q411 WeakPolarHBondContact O-CG 3.39Å; D407-Q411 PolarHBondContact O-NE2 2.86Å
408	R	84.6	Confident	82.7	Confident	99 Å²	99	42.8 Å²	42.8	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-79.7	-33.7	176.8	-58.7	-58.3	133.9	175.1	3.3	112.5	V128 L404 A405 V406 Q411 V412	V128-R408 HydrophobicContact CB-CB 4.03Å; V128-R408 HydrophobicContact CB-CG 4.21Å; V128-R408 HydrophobicContact CG1-CB 3.9Å; V128-R408 HydrophobicContact CG1-CG 4.11Å; V128-R408 HydrophobicContact CG2-CB 4.48Å; L404-R408 HydrophobicContact CD2-CB 4.28Å; A405-R408 HydrophobicContact CB-CG 4.33Å; A405-R408 WeakPolarHBondContact O-CA 3.22Å; A405-R408 WeakPolarHBondContact O-CB 3.42Å; A405-R408 PolarHBondContact O-N 3.28Å; V406-R408 VanDerWaalsContact C-N 3.3Å; V406-R408 PolarHBondContact O-N 3.25Å; R408-Q411 WeakPolarHBondContact O-CB 3.32Å; R408-Q411 PolarHBondContact O-N 3.27Å; R408-V412 WeakPolarHBondContact O-CG2 3.5Å; R408-V412 PolarHBondContact O-N 3.49Å
409	L	86	Confident	82.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-43.8	177.5	-177.8	51.9	0	0	0	111.2	T235 L388 L390 L404 A405 V406 Q411 V412 Y413 V461	T235-L409 HydrophobicContact CG2-CD2 3.71Å; L388-L409 HydrophobicContact CB-CD2 3.4Å; L388-L409 HydrophobicContact CD1-CD2 4.06Å; L388-L409 HydrophobicContact CG-CD2 4.39Å; L390-L409 HydrophobicContact CB-CD1 3.76Å; L390-L409 HydrophobicContact CD1-CD1 4.31Å; L390-L409 HydrophobicContact CD2-CD1 4.28Å; L390-L409 HydrophobicContact CG-CD1 4.34Å; L404-L409 HydrophobicContact CB-CB 4.19Å; L404-L409 HydrophobicContact CD1-CD1 4.17Å; A405-L409 PolarHBondContact O-N 3.28Å; V406-L409 PolarHBondContact O-N 2.79Å; L409-Q411 VanDerWaalsContact C-N 3.3Å; L409-Q411 PolarHBondContact O-N 2.74Å; L409-V412 PolarHBondContact O-N 2.79Å; L409-Y413 WeakPolarHBondContact O-CB 3.08Å; L409-Y413 PolarHBondContact O-N 2.88Å; L409-V461 HydrophobicContact CD2-CG2 3.89Å; L409-V461 HydrophobicContact CG-CG2 4.36Å
410	T	77.8	Confident	81.3	Confident	38 Å²	38	41.8 Å²	41.8	23%	0.233	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-38.1	174.9	-57.8	0	0	0	0	112.4	V406 S414 L465	V406-T410 PolarHBondContact O-N 3.1Å; V406-T410 PolarHBondContact O-OG1 3.38Å; T410-S414 VanDerWaalsContact O-CB 3.28Å; T410-S414 WeakPolarHBondContact O-CB 3.19Å; T410-S414 PolarHBondContact O-N 2.84Å; T410-S414 PolarHBondContact O-OG 3.06Å; T410-L465 HydrophobicContact CG2-CD1 4.14Å; T410-L465 HydrophobicContact CG2-CD2 4.39Å; T410-L465 HydrophobicContact CG2-CG 4.31Å
411	Q	80.8	Confident	80.4	Confident	69 Å²	69	41.1 Å²	41.1	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-43	175.6	-67.5	162.4	45.8	0	0	111.8	V126 D407 R408 L409 S414 F415	V126-Q411 HydrophobicContact CG1-CB 4.21Å; D407-Q411 WeakPolarHBondContact O-CG 3.39Å; D407-Q411 PolarHBondContact O-NE2 2.86Å; R408-Q411 WeakPolarHBondContact O-CB 3.32Å; R408-Q411 PolarHBondContact O-N 3.27Å; L409-Q411 VanDerWaalsContact C-N 3.3Å; L409-Q411 PolarHBondContact O-N 2.74Å; Q411-S414 PolarHBondContact O-OG 3.29Å; Q411-F415 WeakPolarHBondContact O-CB 3.49Å; Q411-F415 PolarHBondContact O-N 3.1Å
412	V	84.8	Confident	79	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.4	-48.5	177.4	169.2	0	0	0	0	111.6	V126 V128 L145 V147 L390 L404 R408 L409 F415 L416	V126-V412 HydrophobicContact CG1-CG2 4.04Å; V128-V412 HydrophobicContact CG2-CG2 3.65Å; L145-V412 HydrophobicContact CD2-CG1 4.03Å; L145-V412 HydrophobicContact CD2-CG2 3.96Å; V147-V412 HydrophobicContact CG2-CG1 4.12Å; V147-V412 HydrophobicContact CG2-CG2 4.18Å; L390-V412 HydrophobicContact CD2-CG1 3.61Å; L404-V412 HydrophobicContact CD2-CG2 4.01Å; R408-V412 WeakPolarHBondContact O-CG2 3.5Å; R408-V412 PolarHBondContact O-N 3.49Å; L409-V412 PolarHBondContact O-N 2.79Å; V412-F415 WeakPolarHBondContact O-CB 3.06Å; V412-F415 PolarHBondContact O-N 2.74Å; V412-L416 HydrophobicContact CG1-CD1 3.86Å; V412-L416 HydrophobicContact CG1-CG 4.47Å; V412-L416 WeakPolarHBondContact O-CG 3.07Å; V412-L416 PolarHBondContact O-N 3.37Å
413	Y	82.1	Confident	77.1	Confident	11 Å²	11	47.4 Å²	47.4	4%	0.043	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-44.6	-175.1	-153.1	-98.9	0	0	0	111.7	M233 L390 L409 F415 L416 L417 S459 V461	M233-Y413 HydrophobicContact CB-CE2 4.32Å; M233-Y413 HydrophobicContact CE-CD1 4.38Å; M233-Y413 HydrophobicContact CE-CD2 4.26Å; M233-Y413 HydrophobicContact CE-CE1 4.1Å; M233-Y413 HydrophobicContact CE-CE2 3.96Å; M233-Y413 HydrophobicContact CE-CG 4.47Å; M233-Y413 HydrophobicContact CG-CE2 3.72Å; M233-Y413 PolarHBondContact O-OH 2.8Å; M233-Y413 HydrophobicContact SD-CD2 3.85Å; M233-Y413 HydrophobicContact SD-CE2 3.62Å; L390-Y413 HydrophobicContact CD1-CD2 3.96Å; L390-Y413 HydrophobicContact CD1-CE2 4.14Å; L409-Y413 WeakPolarHBondContact O-CB 3.08Å; L409-Y413 PolarHBondContact O-N 2.88Å; Y413-F415 VanDerWaalsContact C-N 3.26Å; Y413-F415 PolarHBondContact O-N 3.41Å; Y413-L416 PolarHBondContact O-N 2.87Å; Y413-L417 HydrophobicContact CD1-CD1 3.71Å; Y413-L417 HydrophobicContact CD1-CG 4.1Å; Y413-L417 HydrophobicContact CE1-CD1 3.92Å; Y413-L417 HydrophobicContact CE1-CD2 4.44Å; Y413-L417 HydrophobicContact CE1-CG 4.23Å; Y413-L417 WeakPolarHBondContact O-CG 3.46Å; Y413-L417 PolarHBondContact O-N 3.37Å; Y413-S459 WeakPolarHBondContact OH-CB 3.35Å; Y413-S459 PolarHBondContact OH-OG 2.93Å; Y413-V461 HydrophobicContact CD1-CG1 3.56Å; Y413-V461 HydrophobicContact CD2-CG1 3.7Å; Y413-V461 HydrophobicContact CE1-CG1 3.86Å; Y413-V461 HydrophobicContact CE2-CG1 4Å; Y413-V461 HydrophobicContact CG-CG1 3.47Å; Y413-V461 VanDerWaalsContact CG-CG1 3.47Å
414	S	72.3	Confident	74.7	Confident	36 Å²	36	51.3 Å²	51.3	25%	0.252	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-25.1	175.7	64.6	0	0	0	0	113.4	T410 Q411 R418	T410-S414 VanDerWaalsContact O-CB 3.28Å; T410-S414 WeakPolarHBondContact O-CB 3.19Å; T410-S414 PolarHBondContact O-N 2.84Å; T410-S414 PolarHBondContact O-OG 3.06Å; Q411-S414 PolarHBondContact O-OG 3.29Å; S414-R418 VanDerWaalsContact O-CB 3.26Å; S414-R418 WeakPolarHBondContact O-CB 3.39Å; S414-R418 PolarHBondContact O-N 3.35Å; S414-R418 PolarHBondContact O-NH1 2.87Å
415	F	82.3	Confident	72	Confident	19 Å²	19	58.3 Å²	58.3	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-72.8	-47.6	170.4	-167.6	-74.9	0	0	0	111.5	Q124 V126 V147 T148 P149 Q411 V412 Y413 L417 R418 A419	Q124-F415 WeakPolarHBondContact O-CZ 3.4Å; V126-F415 HydrophobicContact CB-CD2 4.38Å; V126-F415 HydrophobicContact CG2-CB 4.03Å; V126-F415 HydrophobicContact CG2-CD2 3.62Å; V126-F415 HydrophobicContact CG2-CE2 4.45Å; V126-F415 HydrophobicContact CG2-CG 4.09Å; V147-F415 HydrophobicContact CB-CD1 4.01Å; V147-F415 HydrophobicContact CB-CE1 4.37Å; V147-F415 HydrophobicContact CB-CG 4.44Å; V147-F415 HydrophobicContact CG1-CD1 3.41Å; V147-F415 VanDerWaalsContact CG1-CD1 3.41Å; V147-F415 HydrophobicContact CG1-CE1 3.83Å; V147-F415 HydrophobicContact CG1-CG 4.22Å; T148-F415 VanDerWaalsContact C-CE1 3.49Å; T148-F415 WeakPolarHBondContact O-CE1 3.34Å; P149-F415 HydrophobicContact CG-CZ 4.22Å; Q411-F415 WeakPolarHBondContact O-CB 3.49Å; Q411-F415 PolarHBondContact O-N 3.1Å; V412-F415 WeakPolarHBondContact O-CB 3.06Å; V412-F415 PolarHBondContact O-N 2.74Å; Y413-F415 VanDerWaalsContact C-N 3.26Å; Y413-F415 PolarHBondContact O-N 3.41Å; F415-L417 PolarHBondContact O-N 2.97Å; F415-R418 PolarHBondContact O-N 2.82Å; F415-R418 VanDerWaalsContact O-N 3.15Å; F415-A419 PolarHBondContact O-N 3.31Å
416	L	82.1	Confident	69.5	Low	1 Å²	1	65 Å²	65	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-44.8	178.5	-69.4	170.5	0	0	0	111.8	V147 L152 L227 I230 M233 L390 V412 Y413 R418 A419 G420 V421	V147-L416 HydrophobicContact CG1-CD2 3.81Å; V147-L416 HydrophobicContact CG1-CG 4.29Å; L152-L416 HydrophobicContact CB-CD2 4.48Å; L152-L416 HydrophobicContact CD1-CD1 3.99Å; L152-L416 HydrophobicContact CD1-CD2 3.95Å; L152-L416 HydrophobicContact CD1-CG 4.45Å; L227-L416 HydrophobicContact CD1-CD2 4.46Å; L227-L416 HydrophobicContact CD2-CD2 3.57Å; I230-L416 HydrophobicContact CD1-CD2 4.35Å; M233-L416 HydrophobicContact CE-CB 3.91Å; M233-L416 HydrophobicContact SD-CB 3.68Å; M233-L416 HydrophobicContact SD-CD1 3.7Å; M233-L416 HydrophobicContact SD-CG 4.32Å; L390-L416 HydrophobicContact CD2-CD1 4.29Å; V412-L416 HydrophobicContact CG1-CD1 3.86Å; V412-L416 HydrophobicContact CG1-CG 4.47Å; V412-L416 WeakPolarHBondContact O-CG 3.07Å; V412-L416 PolarHBondContact O-N 3.37Å; Y413-L416 PolarHBondContact O-N 2.87Å; L416-R418 PolarHBondContact O-N 2.91Å; L416-A419 PolarHBondContact O-N 3.07Å; L416-G420 PolarHBondContact O-N 2.81Å; L416-V421 HydrophobicContact CB-CB 4.12Å; L416-V421 HydrophobicContact CB-CG2 4.4Å; L416-V421 HydrophobicContact CD2-CG2 4.1Å; L416-V421 WeakPolarHBondContact O-CB 3.43Å; L416-V421 PolarHBondContact O-N 3.33Å
417	L	78	Confident	67.2	Low	87 Å²	87	69.7 Å²	69.7	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-44.1	172.6	-71.6	174.6	0	0	0	111.9	M233 Y413 F415 A419 G420	M233-L417 HydrophobicContact CE-CD2 3.53Å; M233-L417 HydrophobicContact CE-CG 3.72Å; Y413-L417 HydrophobicContact CD1-CD1 3.71Å; Y413-L417 HydrophobicContact CD1-CG 4.1Å; Y413-L417 HydrophobicContact CE1-CD1 3.92Å; Y413-L417 HydrophobicContact CE1-CD2 4.44Å; Y413-L417 HydrophobicContact CE1-CG 4.23Å; Y413-L417 WeakPolarHBondContact O-CG 3.46Å; Y413-L417 PolarHBondContact O-N 3.37Å; F415-L417 PolarHBondContact O-N 2.97Å; L417-A419 PolarHBondContact O-N 3.16Å; L417-G420 PolarHBondContact O-N 2.58Å
418	R	70.8	Confident	64.9	Low	188 Å²	188	73.5 Å²	73.5	71%	0.709	39%	0.391	S	S	*	.	H	α-helix	trans	-65.6	-26.2	178.1	-173.5	178.4	-64.6	102.6	2.4	113	S414 F415 L416 G420	S414-R418 VanDerWaalsContact O-CB 3.26Å; S414-R418 WeakPolarHBondContact O-CB 3.39Å; S414-R418 PolarHBondContact O-N 3.35Å; S414-R418 PolarHBondContact O-NH1 2.87Å; F415-R418 PolarHBondContact O-N 2.82Å; F415-R418 VanDerWaalsContact O-N 3.15Å; L416-R418 PolarHBondContact O-N 2.91Å; R418-G420 VanDerWaalsContact C-N 3.34Å
419	A	67.7	Low	62.2	Low	47 Å²	47	75.4 Å²	75.4	39%	0.388	40%	0.404	S	S	.	.	H	α-helix	trans	-81.3	-10.5	172.2	0	0	0	0	0	113.6	L227 F415 L416 L417	L227-A419 HydrophobicContact CD1-CB 3.42Å; L227-A419 VanDerWaalsContact CD1-CB 3.42Å; F415-A419 PolarHBondContact O-N 3.31Å; L416-A419 PolarHBondContact O-N 3.07Å; L417-A419 PolarHBondContact O-N 3.16Å
420	G	65.4	Low	59.6	Low	39 Å²	39	80.1 Å²	80.1	40%	0.402	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	3.3	179.5	0	0	0	0	0	115.1	L416 L417 R418 G422 S423	L416-G420 PolarHBondContact O-N 2.81Å; L417-G420 PolarHBondContact O-N 2.58Å; R418-G420 VanDerWaalsContact C-N 3.34Å; G420-G422 PolarHBondContact O-N 2.92Å; G420-S423 VanDerWaalsContact O-CB 3.25Å; G420-S423 WeakPolarHBondContact O-CB 3.31Å; G420-S423 PolarHBondContact O-N 3.38Å; G420-S423 VanDerWaalsContact O-N 3.09Å
421	V	69.6	Low	57.3	Low	8 Å²	8	84.9 Å²	84.9	5%	0.048	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	129.3	178.8	176.8	0	0	0	0	110.2	L227 I230 M233 L416	L227-V421 HydrophobicContact CB-CG2 3.84Å; L227-V421 HydrophobicContact CD1-CG2 4.3Å; L227-V421 HydrophobicContact CD2-CG2 4.26Å; L227-V421 HydrophobicContact CG-CG2 4.35Å; I230-V421 HydrophobicContact CB-CG1 3.73Å; I230-V421 HydrophobicContact CD1-CG1 4.3Å; I230-V421 HydrophobicContact CD1-CG2 4.48Å; I230-V421 HydrophobicContact CG2-CG1 3.4Å; M233-V421 HydrophobicContact CE-CG1 4.36Å; M233-V421 HydrophobicContact CG-CG1 4.42Å; M233-V421 HydrophobicContact SD-CG1 4.04Å; L416-V421 HydrophobicContact CB-CB 4.12Å; L416-V421 HydrophobicContact CB-CG2 4.4Å; L416-V421 HydrophobicContact CD2-CG2 4.1Å; L416-V421 WeakPolarHBondContact O-CB 3.43Å; L416-V421 PolarHBondContact O-N 3.33Å
422	G	58.8	Low	55	Low	46 Å²	46	88.6 Å²	88.6	47%	0.474	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-3.5	-175.2	0	0	0	0	0	115.2	G420 L424	G420-G422 PolarHBondContact O-N 2.92Å; G422-L424 PolarHBondContact O-N 2.88Å
423	S	52.8	Low	52.5	Low	97 Å²	97	95.6 Å²	95.6	68%	0.678	52%	0.516	S	S	*	.			trans	-79.8	68.8	174.9	-163	0	0	0	0	111.5	G420 D425	G420-S423 VanDerWaalsContact O-CB 3.25Å; G420-S423 WeakPolarHBondContact O-CB 3.31Å; G420-S423 PolarHBondContact O-N 3.38Å; G420-S423 VanDerWaalsContact O-N 3.09Å; S423-D425 PolarHBondContact O-N 3.3Å
424	L	40.8	Very low	50.2	Low	138 Å²	138	100.2 Å²	100.2	72%	0.723	55%	0.55	S	S	*	.			trans	-81.7	77.4	-176.4	-169.4	76	0	0	0	112.2	G422	G422-L424 PolarHBondContact O-N 2.88Å
425	D	32.4	Very low	48.3	Very low	149 Å²	149	108 Å²	108	80%	0.797	58%	0.582	S	S	*	*			trans	-111.3	45	-179	-158.9	12.2	0	0	0	112.3	S423	S423-D425 PolarHBondContact O-N 3.3Å
426	K	32.6	Very low	45.8	Very low	170 Å²	170	115.4 Å²	115.4	74%	0.739	62%	0.617	S	S	*	*			trans	-145.5	123.1	-174.9	-75.5	-169.9	178.5	166.3	0	115.5
427	H	31.9	Very low	43.3	Very low	143 Å²	143	121.8 Å²	121.8	66%	0.662	66%	0.656	S	S	*	*			trans	55.8	97.5	162.5	-68.2	-104	0	0	0	118.4	E429	H427-E429 IonicContact CE1-OE1 2.7Å; H427-E429 PolarHBondContact CE1-OE1 3.22Å; H427-E429 IonicContact ND1-OE1 3.54Å; H427-E429 PolarHBondContact ND1-OE1 3.34Å
428	I	28.8	Very low	41.1	Very low	158 Å²	158	121 Å²	121	81%	0.81	66%	0.662	S	S	*	*			trans	-101.8	104.5	141.2	-56	179.5	0	0	0	107.4	V430	I428-V430 HydrophobicContact CG2-CG2 3.7Å
429	E	27.6	Very low	39.1	Very low	138 Å²	138	120.2 Å²	120.2	65%	0.645	67%	0.67	S	S	*	*			trans	-94.6	101.5	168.3	-76.9	175.9	-164.6	0	0	109.1	H427 N431	H427-E429 IonicContact CE1-OE1 2.7Å; H427-E429 PolarHBondContact CE1-OE1 3.22Å; H427-E429 IonicContact ND1-OE1 3.54Å; H427-E429 PolarHBondContact ND1-OE1 3.34Å; E429-N431 PolarHBondContact O-N 3.24Å
430	V	32.1	Very low	37.4	Very low	101 Å²	101	121.5 Å²	121.5	61%	0.612	69%	0.688	S	S	*	*			trans	-83.6	90.5	176.7	-173.6	0	0	0	0	109.9	I428 N432	I428-V430 HydrophobicContact CG2-CG2 3.7Å; V430-N432 PolarHBondContact O-N 2.88Å
431	N	28.9	Very low	35.8	Very low	138 Å²	138	127.2 Å²	127.2	74%	0.738	71%	0.709	S	S	*	*			trans	-79.2	102	162.1	-71.7	-42.4	0	0	0	109	E429	E429-N431 PolarHBondContact O-N 3.24Å
432	N	33.3	Very low	34	Very low	146 Å²	146	131.9 Å²	131.9	78%	0.781	74%	0.742	S	S	*	*			trans	-102.8	100.9	170.2	-82.4	-15.9	0	0	0	109.7	V430	V430-N432 PolarHBondContact O-N 2.88Å
433	D	33	Very low	32.8	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	75%	0.754	S	S	*	*			trans	-75.6	139.2	171.3	-87	-56.1	0	0	0	112
434	S	32.8	Very low	31.7	Very low	108 Å²	108	141.2 Å²	141.2	76%	0.755	76%	0.764	S	S	*	*			trans	42.6	107.7	147.4	-56.7	0	0	0	0	120
435	E	32	Very low	31.3	Very low	199 Å²	199	138.1 Å²	138.1	93%	0.93	77%	0.766	S	S	*	*				-161	177.6	101.7	-109.1	-172.9	159.6	0	0	112.5
436	Q	30.4	Very low	31.3	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	77%	0.773	S	S	*	*			trans	-123.4	172.8	-162.5	-51.4	-179.3	10.8	0	0	113.5
437	V	29.6	Very low	31.2	Very low	135 Å²	135	137.2 Å²	137.2	82%	0.818	77%	0.77	S	S	*	*			trans	73.1	132	157.1	164.9	0	0	0	0	115.7
438	A	31.4	Very low	31.4	Very low	71 Å²	71	138 Å²	138	59%	0.587	78%	0.778	S	S	*	*			cis	-167	159.2	-8.1	0	0	0	0	0	113.6
439	I	29.7	Very low	31.6	Very low	172 Å²	172	137.6 Å²	137.6	88%	0.882	78%	0.778	S	S	*	*			trans	45.1	117.5	143.6	-57.1	159.7	0	0	0	118.7
440	G	31.6	Very low	31.9	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	78%	0.783	S	S	*	*			trans	174.2	88.7	162.2	0	0	0	0	0	116.8
441	N	31.9	Very low	32	Very low	158 Å²	158	140.1 Å²	140.1	85%	0.845	80%	0.798	S	S	*	*			trans	-33.4	147.3	175.7	-57.6	-21.6	0	0	0	118.7
442	S	30.7	Very low	32.1	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	79%	0.794	S	S	*	*			trans	32.3	128.1	139.9	-113.2	0	0	0	0	119.1
443	D	33.6	Very low	32	Very low	137 Å²	137	136.9 Å²	136.9	73%	0.733	79%	0.793	S	S	*	*			cis	-158.2	-174	47.4	-137.5	-58.9	0	0	0	113.2	G445	D443-G445 PolarHBondContact O-N 3.26Å
444	K	30.6	Very low	32	Very low	203 Å²	203	135.8 Å²	135.8	88%	0.883	79%	0.792	S	S	*	*			trans	-59.1	118.5	-168.1	-62.9	168.7	-172	174.5	0	115
445	G	31.6	Very low	31.9	Very low	73 Å²	73	135.6 Å²	135.6	75%	0.753	79%	0.789	S	S	*	*			trans	-128.2	146.8	162.5	0	0	0	0	0	111.3	D443	D443-G445 PolarHBondContact O-N 3.26Å
446	Q	32.4	Very low	32	Very low	203 Å²	203	134.4 Å²	134.4	95%	0.949	78%	0.783	S	S	*	*			trans	-94.6	118.6	171.8	-72.5	174.3	-41.3	0	0	109.4
447	S	31.6	Very low	32.3	Very low	97 Å²	97	136.9 Å²	136.9	68%	0.678	79%	0.785	S	S	*	*			trans	-119.5	138.3	161.9	-146.4	0	0	0	0	105.3
448	L	35.1	Very low	33.1	Very low	159 Å²	159	137 Å²	137	83%	0.832	77%	0.771	S	S	*	*			cis	59.5	72.6	46.9	-60.4	177.1	0	0	0	111.2
449	D	34.1	Very low	33.9	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	75%	0.746	S	S	*	*			trans	-87.2	127.6	167.8	-68.8	-49.8	0	0	0	110	D451	D449-D451 PolarHBondContact O-N 3.36Å
450	P	32.4	Very low	34.6	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	72%	0.716	S	S	*	*			trans	-98.1	63.2	-175.6	38.5	-35.4	0	0	0	112.4	S452	P450-S452 PolarHBondContact O-N 2.98Å
451	D	35.3	Very low	35.1	Very low	173 Å²	173	124.9 Å²	124.9	93%	0.925	68%	0.681	S	S	*	*			trans	-83.5	83.7	178.2	-132.2	-18.9	0	0	0	111.1	D449	D449-D451 PolarHBondContact O-N 3.36Å
452	S	31.5	Very low	36	Very low	91 Å²	91	121.8 Å²	121.8	64%	0.636	66%	0.661	S	S	*	*			trans	-96.2	136.5	-173.8	61.8	0	0	0	0	113.5	P450	P450-S452 PolarHBondContact O-N 2.98Å
453	T	30.8	Very low	37	Very low	125 Å²	125	121.7 Å²	121.7	77%	0.767	65%	0.649	S	S	*	*			trans	60.2	77.5	150.5	56.1	0	0	0	0	118.3
454	V	33	Very low	37.4	Very low	126 Å²	126	119.1 Å²	119.1	76%	0.764	63%	0.634	S	S	*	*			trans	-107.2	84.1	137.2	-177	0	0	0	0	108.2	H456	V454-H456 PolarHBondContact O-N 2.91Å; V454-H456 PolarHBondContact O-ND1 2.84Å
455	C	29.6	Very low	38.3	Very low	103 Å²	103	110.3 Å²	110.3	70%	0.696	60%	0.596	S	S	*	*			trans	-63.8	109.5	178.1	-178.7	0	0	0	0	109.7	R457	C455-R457 PolarHBondContact O-N 3.16Å
456	H	34.7	Very low	39.2	Very low	174 Å²	174	109.6 Å²	109.6	81%	0.806	57%	0.573	S	S	*	*			trans	-69.3	81.6	167.4	-75.4	53.4	0	0	0	108.1	V454 R458	V454-H456 PolarHBondContact O-N 2.91Å; V454-H456 PolarHBondContact O-ND1 2.84Å; H456-R458 VanDerWaalsContact C-N 3.31Å; H456-R458 PolarHBondContact O-N 2.69Å
457	R	38	Very low	39.6	Very low	227 Å²	227	103.5 Å²	103.5	86%	0.857	55%	0.553	S	S	*	*			trans	-76.6	86.4	-175.7	-163.7	175.5	-167	170.6	3.8	108.2	C455	C455-R457 PolarHBondContact O-N 3.16Å
458	R	46	Very low	40.3	Very low	138 Å²	138	103 Å²	103	52%	0.521	54%	0.542	S	S	.	.			trans	-31	135.3	175.2	-82.9	176	156.7	119.6	-8.9	111.2	H456 E462 E466	H456-R458 VanDerWaalsContact C-N 3.31Å; H456-R458 PolarHBondContact O-N 2.69Å; R458-E462 WeakPolarHBondContact CA-OE2 3.41Å; R458-E466 WeakPolarHBondContact CD-OE2 3.19Å; R458-E466 IonicContact CZ-OE1 2.76Å; R458-E466 IonicContact CZ-OE2 3.52Å; R458-E466 VanDerWaalsContact CZ-OE2 3.25Å; R458-E466 IonicContact NE-OE1 2.75Å; R458-E466 IonicContact NE-OE2 2.73Å; R458-E466 PolarHBondContact NE-OE2 2.89Å; R458-E466 IonicContact NH2-OE1 3.17Å; R458-E466 PolarHBondContact NH2-OE1 2.86Å; R458-E466 IonicContact NH2-OE2 3.7Å; R458-E466 PolarHBondContact NH2-OE2 2.73Å
459	S	48.2	Very low	40.9	Very low	9 Å²	9	103 Å²	103	6%	0.063	54%	0.538	C	S	.	.			trans	-60.2	142.4	171	172.3	0	0	0	0	108.9	T235 Y413 V461 E462 E463	T235-S459 PolarHBondContact N-OG 3.47Å; Y413-S459 WeakPolarHBondContact OH-CB 3.35Å; Y413-S459 PolarHBondContact OH-OG 2.93Å; S459-V461 PolarHBondContact O-N 2.92Å; S459-V461 PolarHBondContact OG-N 2.86Å; S459-E462 PolarHBondContact N-OE2 3.05Å; S459-E462 CarbonylContact O-C 3.31Å; S459-E462 WeakPolarHBondContact O-CA 3.49Å; S459-E462 WeakPolarHBondContact O-CB 3.49Å; S459-E462 PolarHBondContact O-N 2.93Å; S459-E463 PolarHBondContact O-N 3.05Å
460	L	43.2	Very low	41.5	Very low	49 Å²	49	102.1 Å²	102.1	26%	0.257	53%	0.529	S	S	.	.	H	α-helix	trans	-60.3	-16.5	175.9	-75.1	172.5	0	0	0	112.6	M464	L460-M464 WeakPolarHBondContact O-CA 3.33Å; L460-M464 WeakPolarHBondContact O-CB 3.35Å; L460-M464 WeakPolarHBondContact O-CG 3.12Å; L460-M464 PolarHBondContact O-N 2.84Å
461	V	43.6	Very low	42.3	Very low	4 Å²	4	99.5 Å²	99.5	2%	0.024	51%	0.513	C	S	.	.	H	α-helix	trans	-101.6	-6.9	171.8	148.5	0	0	0	0	113.9	T235 L388 L409 Y413 S459 M464 L465	T235-V461 VanDerWaalsContact CB-CB 3.49Å; T235-V461 HydrophobicContact CG2-CB 4.18Å; T235-V461 HydrophobicContact CG2-CG2 3.45Å; T235-V461 VanDerWaalsContact CG2-CG2 3.45Å; T235-V461 WeakPolarHBondContact OG1-CB 3.45Å; T235-V461 VanDerWaalsContact OG1-CG2 3.25Å; T235-V461 WeakPolarHBondContact OG1-CG2 3.33Å; L388-V461 HydrophobicContact CD1-CG2 4.24Å; L409-V461 HydrophobicContact CD2-CG2 3.89Å; L409-V461 HydrophobicContact CG-CG2 4.36Å; Y413-V461 HydrophobicContact CD1-CG1 3.56Å; Y413-V461 HydrophobicContact CD2-CG1 3.7Å; Y413-V461 HydrophobicContact CE1-CG1 3.86Å; Y413-V461 HydrophobicContact CE2-CG1 4Å; Y413-V461 HydrophobicContact CG-CG1 3.47Å; Y413-V461 VanDerWaalsContact CG-CG1 3.47Å; S459-V461 PolarHBondContact O-N 2.92Å; S459-V461 PolarHBondContact OG-N 2.86Å; V461-M464 HydrophobicContact CG2-CB 4.4Å; V461-L465 HydrophobicContact CG1-CD1 3.62Å; V461-L465 WeakPolarHBondContact O-CB 3.47Å; V461-L465 WeakPolarHBondContact O-CD1 3.06Å; V461-L465 PolarHBondContact O-N 2.82Å
462	E	50.4	Low	43.5	Very low	92 Å²	92	95 Å²	95	43%	0.43	49%	0.488	S	S	.	.	H	α-helix	trans	-77.6	-47.2	159.1	-175.6	172.3	-136.5	0	0	108.6	R458 S459 M464 L465 E466	R458-E462 WeakPolarHBondContact CA-OE2 3.41Å; S459-E462 PolarHBondContact N-OE2 3.05Å; S459-E462 CarbonylContact O-C 3.31Å; S459-E462 WeakPolarHBondContact O-CA 3.49Å; S459-E462 WeakPolarHBondContact O-CB 3.49Å; S459-E462 PolarHBondContact O-N 2.93Å; E462-M464 PolarHBondContact O-N 3.38Å; E462-L465 PolarHBondContact O-N 2.65Å; E462-E466 WeakPolarHBondContact O-CB 3.43Å; E462-E466 WeakPolarHBondContact O-CG 3.44Å; E462-E466 PolarHBondContact O-N 3.24Å
463	E	51.5	Low	45.2	Very low	105 Å²	105	94.1 Å²	94.1	49%	0.491	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-38.8	170.9	-173.2	171.6	-156.7	0	0	112.3	S459 S467	S459-E463 PolarHBondContact O-N 3.05Å; E463-S467 WeakPolarHBondContact O-CB 3.37Å; E463-S467 PolarHBondContact O-N 2.76Å
464	M	42.5	Very low	47.4	Very low	83 Å²	83	91 Å²	91	41%	0.409	46%	0.455	S	S	.	.	H	α-helix	trans	-80.3	-22.2	172.2	-70.5	177.7	76.1	0	0	114.6	L388 L460 V461 E462 L468	L388-M464 HydrophobicContact CD1-CE 3.94Å; L388-M464 HydrophobicContact CD1-SD 3.93Å; L460-M464 WeakPolarHBondContact O-CA 3.33Å; L460-M464 WeakPolarHBondContact O-CB 3.35Å; L460-M464 WeakPolarHBondContact O-CG 3.12Å; L460-M464 PolarHBondContact O-N 2.84Å; V461-M464 HydrophobicContact CG2-CB 4.4Å; E462-M464 PolarHBondContact O-N 3.38Å; M464-L468 WeakPolarHBondContact O-CB 3.29Å; M464-L468 PolarHBondContact O-N 3.23Å
465	L	47.8	Very low	49.8	Very low	18 Å²	18	85.2 Å²	85.2	9%	0.094	42%	0.42	C	S	.	.	H	α-helix	trans	-73.8	-44.3	166	-102.8	77.6	0	0	0	110.1	T410 V461 E462 S467 L468 E469	T410-L465 HydrophobicContact CG2-CD1 4.14Å; T410-L465 HydrophobicContact CG2-CD2 4.39Å; T410-L465 HydrophobicContact CG2-CG 4.31Å; V461-L465 HydrophobicContact CG1-CD1 3.62Å; V461-L465 WeakPolarHBondContact O-CB 3.47Å; V461-L465 WeakPolarHBondContact O-CD1 3.06Å; V461-L465 PolarHBondContact O-N 2.82Å; E462-L465 PolarHBondContact O-N 2.65Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.38Å; L465-L468 PolarHBondContact O-N 2.9Å; L465-L468 VanDerWaalsContact O-N 3.1Å; L465-E469 VanDerWaalsContact O-CB 3.27Å; L465-E469 WeakPolarHBondContact O-CB 3.39Å; L465-E469 WeakPolarHBondContact O-CG 3.34Å; L465-E469 PolarHBondContact O-N 2.88Å
466	E	50.6	Low	52.5	Low	58 Å²	58	85 Å²	85	27%	0.271	41%	0.411	S	S	.	.	H	α-helix	trans	-54	-49.3	171.4	-75	178	137.8	0	0	109.6	R458 E462 L468 Q470	R458-E466 WeakPolarHBondContact CD-OE2 3.19Å; R458-E466 IonicContact CZ-OE1 2.76Å; R458-E466 IonicContact CZ-OE2 3.52Å; R458-E466 VanDerWaalsContact CZ-OE2 3.25Å; R458-E466 IonicContact NE-OE1 2.75Å; R458-E466 IonicContact NE-OE2 2.73Å; R458-E466 PolarHBondContact NE-OE2 2.89Å; R458-E466 IonicContact NH2-OE1 3.17Å; R458-E466 PolarHBondContact NH2-OE1 2.86Å; R458-E466 IonicContact NH2-OE2 3.7Å; R458-E466 PolarHBondContact NH2-OE2 2.73Å; E462-E466 WeakPolarHBondContact O-CB 3.43Å; E462-E466 WeakPolarHBondContact O-CG 3.44Å; E462-E466 PolarHBondContact O-N 3.24Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 2.93Å; E466-Q470 WeakPolarHBondContact O-CA 3.32Å; E466-Q470 WeakPolarHBondContact O-CB 3.04Å; E466-Q470 WeakPolarHBondContact O-CG 3.47Å; E466-Q470 PolarHBondContact O-N 3.36Å; E466-Q470 PolarHBondContact O-NE2 3.23Å
467	S	41.9	Very low	55.2	Low	74 Å²	74	78.9 Å²	78.9	52%	0.517	38%	0.384	S	S	.	.	H	α-helix	trans	-68	-22.7	177.2	-172.4	0	0	0	0	114.9	E463 L465 Q470 S471	E463-S467 WeakPolarHBondContact O-CB 3.37Å; E463-S467 PolarHBondContact O-N 2.76Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.38Å; S467-Q470 CarbonylContact O-C 3.58Å; S467-S471 VanDerWaalsContact O-CA 3.32Å; S467-S471 WeakPolarHBondContact O-CA 3.28Å; S467-S471 VanDerWaalsContact O-CB 3.22Å; S467-S471 WeakPolarHBondContact O-CB 3.22Å; S467-S471 PolarHBondContact O-N 3.41Å
468	L	46.4	Very low	57.6	Low	88 Å²	88	71.2 Å²	71.2	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-92.6	-36.4	178.2	-166	77	0	0	0	112.3	M464 L465 E466 S471	M464-L468 WeakPolarHBondContact O-CB 3.29Å; M464-L468 PolarHBondContact O-N 3.23Å; L465-L468 PolarHBondContact O-N 2.9Å; L465-L468 VanDerWaalsContact O-N 3.1Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 2.93Å; L468-S471 WeakPolarHBondContact CA-OG 3.32Å; L468-S471 WeakPolarHBondContact O-CB 3.33Å; L468-S471 PolarHBondContact O-N 3.39Å; L468-S471 PolarHBondContact O-OG 3.31Å
469	E	47.3	Very low	59.3	Low	157 Å²	157	67.9 Å²	67.9	73%	0.734	37%	0.369	S	S	*	.	H	α-helix	trans	-69.8	-25.8	167.9	-65.9	179.8	179.4	0	0	111.1	L465	L465-E469 VanDerWaalsContact O-CB 3.27Å; L465-E469 WeakPolarHBondContact O-CB 3.39Å; L465-E469 WeakPolarHBondContact O-CG 3.34Å; L465-E469 PolarHBondContact O-N 2.88Å
470	Q	47.5	Very low	61	Low	132 Å²	132	69.2 Å²	69.2	62%	0.617	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	7.3	166.7	-58.8	149.1	39.1	0	0	112.2	E466 S467 I472	E466-Q470 WeakPolarHBondContact O-CA 3.32Å; E466-Q470 WeakPolarHBondContact O-CB 3.04Å; E466-Q470 WeakPolarHBondContact O-CG 3.47Å; E466-Q470 PolarHBondContact O-N 3.36Å; E466-Q470 PolarHBondContact O-NE2 3.23Å; S467-Q470 CarbonylContact O-C 3.58Å; Q470-I472 PolarHBondContact O-N 2.73Å
471	S	48.4	Very low	63.2	Low	63 Å²	63	75 Å²	75	44%	0.441	41%	0.409	S	S	.	.			trans	-76.3	87.1	168.4	72.5	0	0	0	0	107.8	S467 L468 H473	S467-S471 VanDerWaalsContact O-CA 3.32Å; S467-S471 WeakPolarHBondContact O-CA 3.28Å; S467-S471 VanDerWaalsContact O-CB 3.22Å; S467-S471 WeakPolarHBondContact O-CB 3.22Å; S467-S471 PolarHBondContact O-N 3.41Å; L468-S471 WeakPolarHBondContact CA-OG 3.32Å; L468-S471 WeakPolarHBondContact O-CB 3.33Å; L468-S471 PolarHBondContact O-N 3.39Å; L468-S471 PolarHBondContact O-OG 3.31Å; S471-H473 PolarHBondContact O-N 3.38Å
472	I	59.9	Low	65.6	Low	78 Å²	78	75.7 Å²	75.7	40%	0.4	41%	0.414	S	S	.	.			trans	-58.9	107.7	174.5	-64.6	157.4	0	0	0	106.8	Q470 V474 V491 S494 V495	Q470-I472 PolarHBondContact O-N 2.73Å; I472-V474 WeakPolarHBondContact O-CG2 3.22Å; I472-V474 PolarHBondContact O-N 3.07Å; I472-V491 HydrophobicContact CD1-CG1 4.3Å; I472-V491 HydrophobicContact CG2-CG1 4.45Å; I472-S494 WeakPolarHBondContact CG2-OG 3.47Å; I472-V495 HydrophobicContact CD1-CG2 3.45Å; I472-V495 VanDerWaalsContact CD1-CG2 3.45Å; I472-V495 HydrophobicContact CG1-CG2 3.78Å; I472-V495 HydrophobicContact CG2-CG2 3.97Å
473	H	67.9	Low	67.7	Low	74 Å²	74	72.7 Å²	72.7	34%	0.343	41%	0.408	S	S	.	.			trans	-67.7	96.9	175.5	172.2	-80.3	0	0	0	108.7	S471 P475 S494 T502 N505	S471-H473 PolarHBondContact O-N 3.38Å; H473-P475 WeakPolarHBondContact O-CD 3.27Å; H473-S494 VanDerWaalsContact O-CB 3.29Å; H473-S494 WeakPolarHBondContact O-CB 3.29Å; H473-T502 WeakPolarHBondContact CB-O 3.15Å; H473-T502 PolarHBondContact ND1-O 3.06Å; H473-N505 PolarHBondContact CE1-OD1 3.34Å
474	V	78.3	Confident	69.8	Low	60 Å²	60	68.1 Å²	68.1	36%	0.364	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-69.1	120.3	179	-172	0	0	0	0	108.6	I472 I476 L490 V491	I472-V474 WeakPolarHBondContact O-CG2 3.22Å; I472-V474 PolarHBondContact O-N 3.07Å; V474-I476 PolarHBondContact O-N 2.82Å; V474-L490 HydrophobicContact CG1-CB 3.58Å; V474-L490 HydrophobicContact CG1-CD1 4.35Å; V474-V491 HydrophobicContact CG2-CG2 3.9Å
475	P	83.3	Confident	72.3	Confident	3 Å²	3	65 Å²	65	2%	0.019	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-63	127	-174.5	-25.2	36	0	0	0	111.8	H473 L490 F497 S504 L506	H473-P475 WeakPolarHBondContact O-CD 3.27Å; P475-L490 HydrophobicContact CB-CD2 4.28Å; P475-F497 HydrophobicContact CG-CE2 4.01Å; P475-S504 WeakPolarHBondContact CB-O 3.38Å; P475-L506 HydrophobicContact CB-CD1 4.06Å; P475-L506 HydrophobicContact CB-CG 3.98Å
476	I	85.6	Confident	74.4	Confident	100 Å²	100	67.3 Å²	67.3	51%	0.513	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-74.5	131.9	174.7	-55.6	175.3	0	0	0	108.8	V474 N478 N505 L506	V474-I476 PolarHBondContact O-N 2.82Å; I476-N478 PolarHBondContact O-N 3.4Å; I476-N505 WeakPolarHBondContact CB-OD1 3.46Å; I476-N505 PolarHBondContact N-OD1 3.04Å; I476-L506 PolarHBondContact O-N 2.99Å
477	L	90.5	Very high	76.2	Confident	44 Å²	44	70.4 Å²	70.4	23%	0.23	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	106.6	174.1	-60.6	-172.5	0	0	0	110.5	L485 L490 L506 W692	L477-L485 HydrophobicContact CD2-CD1 4.01Å; L477-L490 HydrophobicContact CD2-CD2 4.06Å; L477-L490 HydrophobicContact CG-CD1 4.34Å; L477-L506 HydrophobicContact CD2-CB 3.9Å; L477-L506 HydrophobicContact CD2-CD1 3.93Å; L477-W692 HydrophobicContact CB-CH2 4.11Å; L477-W692 HydrophobicContact CB-CZ3 3.88Å; L477-W692 HydrophobicContact CD1-CH2 4.18Å; L477-W692 HydrophobicContact CD2-CE3 4.05Å; L477-W692 HydrophobicContact CD2-CH2 4.14Å; L477-W692 HydrophobicContact CD2-CZ3 3.83Å; L477-W692 HydrophobicContact CG-CH2 4.37Å; L477-W692 HydrophobicContact CG-CZ3 4.31Å
478	N	88.8	Confident	78.4	Confident	66 Å²	66	72.6 Å²	72.6	35%	0.353	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.8	173.1	-66.8	-46.6	0	0	0	110.3	I476 L506 N507 S508 W692	I476-N478 PolarHBondContact O-N 3.4Å; N478-L506 PolarHBondContact N-O 3.37Å; N478-N507 HydrophobicContact CB-CB 4.25Å; N478-N507 WeakPolarHBondContact O-CA 3.27Å; N478-S508 PolarHBondContact O-N 3.19Å; N478-W692 WeakPolarHBondContact O-CZ3 3.3Å
479	G	81.9	Confident	80.6	Confident	69 Å²	69	69.4 Å²	69.4	71%	0.711	39%	0.394	S	S	*	.	S	Bend	trans	89.2	-0.6	178.7	0	0	0	0	0	115.6
480	G	83.8	Confident	82.7	Confident	36 Å²	36	62.3 Å²	62.3	37%	0.371	36%	0.361	S	S	.	.	S	Bend	trans	143.2	-177.3	171.2	0	0	0	0	0	113.1	W692	G480-W692 WeakPolarHBondContact O-CH2 3.42Å
481	E	90	Very high	84.5	Confident	170 Å²	170	58.7 Å²	58.7	79%	0.794	35%	0.348	S	S	*	.			trans	-78.3	149.7	168.8	-65.5	176.2	177.7	0	0	110.6	K511	E481-K511 PolarHBondContact O-NZ 3.01Å
482	S	94.5	Very high	86.4	Confident	19 Å²	19	58.3 Å²	58.3	13%	0.133	34%	0.341	C	S	.	.			trans	-86.9	136.9	169.2	177.3	0	0	0	0	109.6	I484 L485 E690	S482-I484 PolarHBondContact OG-N 3.2Å; S482-L485 PolarHBondContact OG-N 2.89Å; S482-E690 WeakPolarHBondContact CB-OE2 3.48Å; S482-E690 VanDerWaalsContact OG-CD 3.26Å; S482-E690 PolarHBondContact OG-OE1 3.49Å; S482-E690 PolarHBondContact OG-OE2 2.98Å
483	G	93.4	Very high	87.8	Confident	29 Å²	29	54.6 Å²	54.6	30%	0.299	32%	0.322	S	S	.	.	S	Bend	trans	-77	-10.9	168.1	0	0	0	0	0	112.7	R538 E690	G483-R538 PolarHBondContact O-NH1 3.17Å; G483-E690 WeakPolarHBondContact CA-OE1 3.45Å; G483-E690 PolarHBondContact N-OE1 2.84Å
484	I	96.2	Very high	88.4	Confident	10 Å²	10	51.3 Å²	51.3	5%	0.051	31%	0.307	C	S	.	.	S	Bend	trans	-109.9	-45.5	-175.6	-60.8	-179.3	0	0	0	113.3	S482 M489 L536 R538 V544 T688 E690	S482-I484 PolarHBondContact OG-N 3.2Å; I484-M489 HydrophobicContact CG2-CE 4.38Å; I484-L536 HydrophobicContact CD1-CB 3.9Å; I484-L536 HydrophobicContact CG2-CB 4.3Å; I484-R538 HydrophobicContact CD1-CB 4.18Å; I484-R538 HydrophobicContact CG1-CB 4.3Å; I484-V544 HydrophobicContact CG2-CB 4.4Å; I484-V544 HydrophobicContact CG2-CG1 3.46Å; I484-V544 VanDerWaalsContact CG2-CG1 3.46Å; I484-V544 HydrophobicContact CG2-CG2 3.99Å; I484-T688 HydrophobicContact CD1-CG2 3.98Å; I484-T688 HydrophobicContact CG1-CG2 3.91Å; I484-E690 HydrophobicContact CD1-CB 4.41Å; I484-E690 HydrophobicContact CD1-CG 3.82Å; I484-E690 HydrophobicContact CG1-CG 4.19Å; I484-E690 PolarHBondContact N-OE1 3.05Å
485	L	94.4	Very high	88.4	Confident	17 Å²	17	52.6 Å²	52.6	9%	0.089	32%	0.315	C	S	.	.			trans	-80.7	125.2	-171.6	-64.7	172.2	0	0	0	112.5	L477 S482 M489 L490 L493 L506 L536 W570	L477-L485 HydrophobicContact CD2-CD1 4.01Å; S482-L485 PolarHBondContact OG-N 2.89Å; L485-M489 HydrophobicContact CD2-CB 4.2Å; L485-M489 HydrophobicContact CD2-CE 4.43Å; L485-L490 HydrophobicContact CB-CG 4.49Å; L485-L490 HydrophobicContact CD1-CD2 3.91Å; L485-L493 HydrophobicContact CD2-CD1 3.88Å; L485-L506 HydrophobicContact CD1-CD1 4.14Å; L485-L536 HydrophobicContact CD1-CD1 3.77Å; L485-L536 HydrophobicContact CD2-CD1 3.64Å; L485-L536 HydrophobicContact CD2-CD2 4.08Å; L485-L536 HydrophobicContact CG-CD1 3.53Å; L485-W570 HydrophobicContact CD2-CH2 4.4Å
486	T	92.4	Very high	88.3	Confident	66 Å²	66	54.1 Å²	54.1	41%	0.405	32%	0.323	S	S	.	.			trans	-90.2	167.7	161	75.5	0	0	0	0	111.1	D488 M489 L490	T486-D488 VanDerWaalsContact C-N 3.25Å; T486-D488 PolarHBondContact O-N 2.97Å; T486-D488 PolarHBondContact OG1-N 2.91Å; T486-D488 PolarHBondContact OG1-OD2 3.22Å; T486-M489 HydrophobicContact CG2-SD 4.06Å; T486-M489 WeakPolarHBondContact O-CB 3.37Å; T486-M489 PolarHBondContact O-N 3.45Å; T486-M489 VanDerWaalsContact O-N 3.11Å; T486-M489 WeakPolarHBondContact OG1-CG 3.27Å; T486-M489 PolarHBondContact OG1-N 3.1Å; T486-L490 PolarHBondContact O-N 2.75Å
487	N	87.2	Confident	87.8	Confident	124 Å²	124	49.9 Å²	49.9	66%	0.663	30%	0.301	S	S	*	.	H	α-helix	trans	-57.6	-38.6	173	-66.4	-34.8	0	0	0	112.2	M489 L490 V491	N487-M489 VanDerWaalsContact C-N 3.29Å; N487-M489 PolarHBondContact O-N 2.74Å; N487-L490 WeakPolarHBondContact O-CB 3.36Å; N487-L490 PolarHBondContact O-N 3.41Å; N487-V491 WeakPolarHBondContact O-CG2 3.37Å; N487-V491 PolarHBondContact O-N 2.57Å
488	D	89.3	Confident	86.8	Confident	119 Å²	119	49.5 Å²	49.5	64%	0.636	30%	0.301	S	S	*	.	H	α-helix	trans	-63.2	-38.3	177	-41.1	-59.1	0	0	0	111.2	T486 L490 V491 D492	T486-D488 VanDerWaalsContact C-N 3.25Å; T486-D488 PolarHBondContact O-N 2.97Å; T486-D488 PolarHBondContact OG1-N 2.91Å; T486-D488 PolarHBondContact OG1-OD2 3.22Å; D488-L490 VanDerWaalsContact C-N 3.35Å; D488-V491 WeakPolarHBondContact O-CB 3.04Å; D488-V491 PolarHBondContact O-N 3.03Å; D488-D492 PolarHBondContact O-N 3.28Å
489	M	92.6	Very high	85.7	Confident	21 Å²	21	51 Å²	51	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-70.2	-30.9	176.7	-62.4	170.5	70.5	0	0	112.2	I484 L485 T486 N487 L493 V544 W570	I484-M489 HydrophobicContact CG2-CE 4.38Å; L485-M489 HydrophobicContact CD2-CB 4.2Å; L485-M489 HydrophobicContact CD2-CE 4.43Å; T486-M489 HydrophobicContact CG2-SD 4.06Å; T486-M489 WeakPolarHBondContact O-CB 3.37Å; T486-M489 PolarHBondContact O-N 3.45Å; T486-M489 VanDerWaalsContact O-N 3.11Å; T486-M489 WeakPolarHBondContact OG1-CG 3.27Å; T486-M489 PolarHBondContact OG1-N 3.1Å; N487-M489 VanDerWaalsContact C-N 3.29Å; N487-M489 PolarHBondContact O-N 2.74Å; M489-L493 WeakPolarHBondContact O-CB 3.17Å; M489-L493 VanDerWaalsContact O-CG 3.31Å; M489-L493 WeakPolarHBondContact O-CG 3.42Å; M489-L493 PolarHBondContact O-N 3.33Å; M489-V544 HydrophobicContact CE-CB 4.05Å; M489-V544 HydrophobicContact CE-CG1 3.76Å; M489-V544 HydrophobicContact CE-CG2 4.25Å; M489-W570 HydrophobicContact CB-CH2 4.3Å; M489-W570 HydrophobicContact CB-CZ2 3.63Å; M489-W570 HydrophobicContact CE-CD2 3.65Å; M489-W570 HydrophobicContact CE-CE3 3.66Å; M489-W570 HydrophobicContact CE-CG 4.22Å; M489-W570 HydrophobicContact CE-CH2 4.11Å; M489-W570 HydrophobicContact CE-CZ2 4.14Å; M489-W570 HydrophobicContact CE-CZ3 3.87Å; M489-W570 HydrophobicContact CG-CD2 4.37Å; M489-W570 HydrophobicContact CG-CZ2 4.08Å; M489-W570 WeakPolarHBondContact O-CZ2 3.38Å
490	L	90	Very high	85	Confident	8 Å²	8	52 Å²	52	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-69.4	-35.1	171.2	-72	170.1	0	0	0	112.2	V474 P475 L477 L485 T486 N487 D488 S494 L506	V474-L490 HydrophobicContact CG1-CB 3.58Å; V474-L490 HydrophobicContact CG1-CD1 4.35Å; P475-L490 HydrophobicContact CB-CD2 4.28Å; L477-L490 HydrophobicContact CD2-CD2 4.06Å; L477-L490 HydrophobicContact CG-CD1 4.34Å; L485-L490 HydrophobicContact CB-CG 4.49Å; L485-L490 HydrophobicContact CD1-CD2 3.91Å; T486-L490 PolarHBondContact O-N 2.75Å; N487-L490 WeakPolarHBondContact O-CB 3.36Å; N487-L490 PolarHBondContact O-N 3.41Å; D488-L490 VanDerWaalsContact C-N 3.35Å; L490-S494 PolarHBondContact O-N 2.66Å; L490-S494 PolarHBondContact O-OG 2.91Å; L490-L506 HydrophobicContact CD2-CD1 3.92Å
491	V	86.1	Confident	84.4	Confident	56 Å²	56	50.8 Å²	50.8	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-67.8	-46.4	171.6	174	0	0	0	0	110.9	I472 V474 N487 D488 L493 S494 V495	I472-V491 HydrophobicContact CD1-CG1 4.3Å; I472-V491 HydrophobicContact CG2-CG1 4.45Å; V474-V491 HydrophobicContact CG2-CG2 3.9Å; N487-V491 WeakPolarHBondContact O-CG2 3.37Å; N487-V491 PolarHBondContact O-N 2.57Å; D488-V491 WeakPolarHBondContact O-CB 3.04Å; D488-V491 PolarHBondContact O-N 3.03Å; V491-L493 VanDerWaalsContact C-N 3.31Å; V491-L493 PolarHBondContact O-N 3.43Å; V491-S494 WeakPolarHBondContact CA-OG 3.43Å; V491-S494 PolarHBondContact O-N 3.36Å; V491-S494 PolarHBondContact O-OG 3.2Å; V491-V495 HydrophobicContact CG1-CG2 4.48Å; V491-V495 WeakPolarHBondContact O-CG2 3.4Å; V491-V495 PolarHBondContact O-N 3.26Å
492	D	89.1	Confident	83.4	Confident	55 Å²	55	45.5 Å²	45.5	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-54.4	-47.1	173.7	-86.1	-34	0	0	0	111.4	D488 N496 W570 F574	D488-D492 PolarHBondContact O-N 3.28Å; D492-N496 VanDerWaalsContact O-CB 3.27Å; D492-N496 WeakPolarHBondContact O-CB 3.37Å; D492-N496 PolarHBondContact O-N 2.89Å; D492-N496 PolarHBondContact O-ND2 2.78Å; D492-W570 HydrophobicContact CB-CZ2 4.09Å; D492-W570 PolarHBondContact OD2-NE1 3.03Å; D492-F574 HydrophobicContact CB-CB 4.22Å; D492-F574 HydrophobicContact CB-CD2 4.22Å; D492-F574 HydrophobicContact CB-CG 4.05Å
493	L	87.9	Confident	82.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-48.8	179.1	-79.2	171.7	0	0	0	112.4	L485 M489 V491 V495 N496 F497 L534 W570	L485-L493 HydrophobicContact CD2-CD1 3.88Å; M489-L493 WeakPolarHBondContact O-CB 3.17Å; M489-L493 VanDerWaalsContact O-CG 3.31Å; M489-L493 WeakPolarHBondContact O-CG 3.42Å; M489-L493 PolarHBondContact O-N 3.33Å; V491-L493 VanDerWaalsContact C-N 3.31Å; V491-L493 PolarHBondContact O-N 3.43Å; L493-V495 PolarHBondContact O-N 3.49Å; L493-N496 CarbonylContact O-C 3.49Å; L493-N496 PolarHBondContact O-N 2.87Å; L493-F497 HydrophobicContact CB-CE1 4.26Å; L493-F497 HydrophobicContact CB-CE2 4.26Å; L493-F497 HydrophobicContact CB-CZ 3.98Å; L493-F497 HydrophobicContact CD2-CE1 3.95Å; L493-F497 HydrophobicContact CD2-CZ 4.27Å; L493-F497 HydrophobicContact CG-CZ 4.49Å; L493-F497 VanDerWaalsContact O-CG 3.27Å; L493-F497 WeakPolarHBondContact O-CG 3.49Å; L493-F497 PolarHBondContact O-N 3.23Å; L493-L534 HydrophobicContact CD1-CD2 3.87Å; L493-L534 HydrophobicContact CD2-CD1 4.26Å; L493-W570 HydrophobicContact CD1-CH2 4.01Å; L493-W570 HydrophobicContact CD2-CH2 3.9Å; L493-W570 HydrophobicContact CD2-CZ2 4.42Å; L493-W570 HydrophobicContact CG-CH2 3.74Å; L493-W570 HydrophobicContact CG-CZ2 3.97Å
494	S	81	Confident	81.3	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-35.2	-176.6	39.8	0	0	0	0	113.4	I472 H473 L490 V491 N496	I472-S494 WeakPolarHBondContact CG2-OG 3.47Å; H473-S494 VanDerWaalsContact O-CB 3.29Å; H473-S494 WeakPolarHBondContact O-CB 3.29Å; L490-S494 PolarHBondContact O-N 2.66Å; L490-S494 PolarHBondContact O-OG 2.91Å; V491-S494 WeakPolarHBondContact CA-OG 3.43Å; V491-S494 PolarHBondContact O-N 3.36Å; V491-S494 PolarHBondContact O-OG 3.2Å; S494-N496 PolarHBondContact O-N 2.79Å
495	V	79.4	Confident	80.9	Confident	86 Å²	86	46.1 Å²	46.1	52%	0.521	27%	0.271	S	S	.	.	H	α-helix	trans	-65.4	-28.2	169.7	174.2	0	0	0	0	112	I472 V491 L493	I472-V495 HydrophobicContact CD1-CG2 3.45Å; I472-V495 VanDerWaalsContact CD1-CG2 3.45Å; I472-V495 HydrophobicContact CG1-CG2 3.78Å; I472-V495 HydrophobicContact CG2-CG2 3.97Å; V491-V495 HydrophobicContact CG1-CG2 4.48Å; V491-V495 WeakPolarHBondContact O-CG2 3.4Å; V491-V495 PolarHBondContact O-N 3.26Å; L493-V495 PolarHBondContact O-N 3.49Å
496	N	80.1	Confident	80.8	Confident	36 Å²	36	45.4 Å²	45.4	19%	0.193	27%	0.267	C	S	.	.	H	α-helix	trans	-105.6	-6.6	-172.7	-76.9	-85.6	0	0	0	115.6	D492 L493 S494 F574 K576	D492-N496 VanDerWaalsContact O-CB 3.27Å; D492-N496 WeakPolarHBondContact O-CB 3.37Å; D492-N496 PolarHBondContact O-N 2.89Å; D492-N496 PolarHBondContact O-ND2 2.78Å; L493-N496 CarbonylContact O-C 3.49Å; L493-N496 PolarHBondContact O-N 2.87Å; S494-N496 PolarHBondContact O-N 2.79Å; N496-F574 HydrophobicContact CB-CD1 4.29Å; N496-F574 HydrophobicContact CB-CE1 3.47Å; N496-F574 VanDerWaalsContact CB-CE1 3.47Å; N496-F574 HydrophobicContact CB-CZ 4.08Å; N496-K576 HydrophobicContact CB-CD 4.07Å; N496-K576 WeakPolarHBondContact O-CD 3.41Å; N496-K576 WeakPolarHBondContact O-CE 3.49Å; N496-K576 PolarHBondContact O-NZ 2.89Å; N496-K576 VanDerWaalsContact OD1-CE 3.27Å; N496-K576 WeakPolarHBondContact OD1-CE 3.09Å
497	F	74.9	Confident	80.8	Confident	10 Å²	10	44.7 Å²	44.7	4%	0.044	26%	0.261	C	S	.	.	S	Bend	trans	-63.6	157.6	173.9	-80	-27.9	0	0	0	112.3	P475 L493 W501 V548 F566 L694	P475-F497 HydrophobicContact CG-CE2 4.01Å; L493-F497 HydrophobicContact CB-CE1 4.26Å; L493-F497 HydrophobicContact CB-CE2 4.26Å; L493-F497 HydrophobicContact CB-CZ 3.98Å; L493-F497 HydrophobicContact CD2-CE1 3.95Å; L493-F497 HydrophobicContact CD2-CZ 4.27Å; L493-F497 HydrophobicContact CG-CZ 4.49Å; L493-F497 VanDerWaalsContact O-CG 3.27Å; L493-F497 WeakPolarHBondContact O-CG 3.49Å; L493-F497 PolarHBondContact O-N 3.23Å; F497-W501 HydrophobicContact CB-CB 3.95Å; F497-W501 HydrophobicContact CD1-CE3 4.22Å; F497-W501 HydrophobicContact CD2-CB 4.17Å; F497-W501 WeakPolarHBondContact CD2-O 3.35Å; F497-W501 HydrophobicContact CG-CB 4.07Å; F497-V548 HydrophobicContact CD1-CG2 4.47Å; F497-V548 HydrophobicContact CE1-CG2 3.99Å; F497-F566 HydrophobicContact CD1-CZ 4.38Å; F497-L694 HydrophobicContact CE1-CD2 4.22Å; F497-L694 HydrophobicContact CZ-CD2 4.18Å
498	P	69.2	Low	81.2	Confident	36 Å²	36	40.1 Å²	40.1	23%	0.234	24%	0.239	C	C	.	.			trans	-55.4	149.7	162.4	-21	34.3	0	0	0	110.6	H500 W501 T502 F566	P498-H500 PolarHBondContact O-N 2.98Å; P498-W501 HydrophobicContact CG-CD2 4.12Å; P498-W501 HydrophobicContact CG-CE3 3.59Å; P498-W501 HydrophobicContact CG-CH2 4.25Å; P498-W501 HydrophobicContact CG-CZ3 3.65Å; P498-W501 PolarHBondContact O-N 3.29Å; P498-T502 PolarHBondContact O-N 3.2Å; P498-F566 HydrophobicContact CG-CE1 4.22Å
499	A	65.5	Low	81.5	Confident	97 Å²	97	35 Å²	35	80%	0.802	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-5.2	-173.1	0	0	0	0	0	115.9	T502	A499-T502 PolarHBondContact O-OG1 3.38Å
500	H	69	Low	81.8	Confident	92 Å²	92	34 Å²	34	43%	0.426	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-2.2	174.4	69.1	-106.2	0	0	0	113.8	P498 E564	P498-H500 PolarHBondContact O-N 2.98Å; H500-E564 IonicContact CE1-OE1 3.57Å; H500-E564 PolarHBondContact CE1-OE1 2.92Å; H500-E564 IonicContact NE2-OE1 3.56Å
501	W	70.7	Confident	82.1	Confident	10 Å²	10	34.7 Å²	34.7	4%	0.038	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-3	172.5	-67	-20	0	0	0	113.1	F497 P498 S503 S504 S532 V548 E564 F566 L694	F497-W501 HydrophobicContact CB-CB 3.95Å; F497-W501 HydrophobicContact CD1-CE3 4.22Å; F497-W501 HydrophobicContact CD2-CB 4.17Å; F497-W501 WeakPolarHBondContact CD2-O 3.35Å; F497-W501 HydrophobicContact CG-CB 4.07Å; P498-W501 HydrophobicContact CG-CD2 4.12Å; P498-W501 HydrophobicContact CG-CE3 3.59Å; P498-W501 HydrophobicContact CG-CH2 4.25Å; P498-W501 HydrophobicContact CG-CZ3 3.65Å; P498-W501 PolarHBondContact O-N 3.29Å; W501-S503 PolarHBondContact O-N 3.01Å; W501-S504 WeakPolarHBondContact CA-OG 3.37Å; W501-S504 VanDerWaalsContact O-CB 3.31Å; W501-S504 WeakPolarHBondContact O-CB 3.4Å; W501-S504 PolarHBondContact O-N 3.48Å; W501-S532 VanDerWaalsContact CZ2-OG 3.31Å; W501-S532 WeakPolarHBondContact CZ2-OG 3.43Å; W501-V548 HydrophobicContact CE3-CG1 3.95Å; W501-V548 HydrophobicContact CH2-CG1 3.75Å; W501-V548 HydrophobicContact CZ3-CB 3.87Å; W501-V548 HydrophobicContact CZ3-CG1 3.28Å; W501-V548 HydrophobicContact CZ3-CG2 4.45Å; W501-E564 HydrophobicContact CH2-CB 4.17Å; W501-F566 AromaticContact CZ3-CE1 3.93Å; W501-F566 HydrophobicContact CZ3-CE1 3.93Å; W501-L694 HydrophobicContact CB-CD2 3.99Å; W501-L694 HydrophobicContact CD2-CD2 3.33Å; W501-L694 HydrophobicContact CE3-CD2 3.39Å; W501-L694 HydrophobicContact CG-CD2 3.56Å; W501-L694 HydrophobicContact CZ3-CD2 4.2Å
502	T	68.2	Low	82.6	Confident	58 Å²	58	32.1 Å²	32.1	36%	0.356	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.8	178.5	47.1	0	0	0	0	112.6	H473 P498 A499	H473-T502 WeakPolarHBondContact CB-O 3.15Å; H473-T502 PolarHBondContact ND1-O 3.06Å; P498-T502 PolarHBondContact O-N 3.2Å; A499-T502 PolarHBondContact O-OG1 3.38Å
503	S	68.4	Low	82.9	Confident	50 Å²	50	34.8 Å²	34.8	35%	0.35	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.5	173.1	61	0	0	0	0	114.4	W501 C697	W501-S503 PolarHBondContact O-N 3.01Å; S503-C697 PolarHBondContact O-SG 2.89Å
504	S	75.9	Confident	83.2	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	139.8	-177.3	-65.8	0	0	0	0	112.4	P475 W501 I695 S696	P475-S504 WeakPolarHBondContact CB-O 3.38Å; W501-S504 WeakPolarHBondContact CA-OG 3.37Å; W501-S504 VanDerWaalsContact O-CB 3.31Å; W501-S504 WeakPolarHBondContact O-CB 3.4Å; W501-S504 PolarHBondContact O-N 3.48Å; S504-I695 CarbonylContact C-O 3.6Å; S504-I695 WeakPolarHBondContact CA-O 3.28Å; S504-I695 WeakPolarHBondContact CB-O 3.32Å; S504-S696 WeakPolarHBondContact OG-CA 3.31Å; S504-S696 PolarHBondContact OG-N 2.76Å; S504-S696 PolarHBondContact OG-OG 2.72Å
505	N	88	Confident	84	Confident	22 Å²	22	41.9 Å²	41.9	12%	0.118	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	161.8	167.1	-73.9	-35.8	0	0	0	110.8	H473 I476 I695 C697	H473-N505 PolarHBondContact CE1-OD1 3.34Å; I476-N505 WeakPolarHBondContact CB-OD1 3.46Å; I476-N505 PolarHBondContact N-OD1 3.04Å; N505-I695 PolarHBondContact N-O 2.73Å; N505-I695 PolarHBondContact O-N 3.17Å; N505-C697 PolarHBondContact ND2-SG 3.24Å
506	L	91.2	Very high	84.7	Confident	1 Å²	1	39 Å²	39	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.9	-177.1	-69.2	173.4	0	0	0	110	P475 I476 L477 N478 L485 L490 L534 W692 Q693 L694	P475-L506 HydrophobicContact CB-CD1 4.06Å; P475-L506 HydrophobicContact CB-CG 3.98Å; I476-L506 PolarHBondContact O-N 2.99Å; L477-L506 HydrophobicContact CD2-CB 3.9Å; L477-L506 HydrophobicContact CD2-CD1 3.93Å; N478-L506 PolarHBondContact N-O 3.37Å; L485-L506 HydrophobicContact CD1-CD1 4.14Å; L490-L506 HydrophobicContact CD2-CD1 3.92Å; L506-L534 HydrophobicContact CD1-CD2 3.79Å; L506-L534 HydrophobicContact CD2-CB 4.31Å; L506-L534 HydrophobicContact CD2-CD2 3.95Å; L506-W692 HydrophobicContact CB-CB 4.14Å; L506-W692 HydrophobicContact CB-CD2 4.39Å; L506-W692 HydrophobicContact CB-CE3 3.89Å; L506-W692 HydrophobicContact CD2-CB 4.08Å; L506-Q693 WeakPolarHBondContact CA-O 3.2Å; L506-L694 HydrophobicContact CD2-CD1 4Å; L506-L694 HydrophobicContact CD2-CG 3.91Å
507	N	93.8	Very high	85.5	Confident	52 Å²	52	42.5 Å²	42.5	28%	0.278	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.5	179.2	178.4	42.6	0	0	0	111.3	N478 I509 W692 Q693 I695	N478-N507 HydrophobicContact CB-CB 4.25Å; N478-N507 WeakPolarHBondContact O-CA 3.27Å; N507-I509 PolarHBondContact O-N 2.7Å; N507-I509 VanDerWaalsContact O-N 3.15Å; N507-W692 CarbonylContact O-C 3.56Å; N507-W692 WeakPolarHBondContact O-CA 3.32Å; N507-Q693 HydrophobicContact CB-CB 4.3Å; N507-Q693 PolarHBondContact N-O 2.56Å; N507-Q693 PolarHBondContact ND2-OE1 2.62Å; N507-Q693 PolarHBondContact O-N 3.48Å; N507-I695 HydrophobicContact CB-CD1 3.54Å; N507-I695 HydrophobicContact CB-CG1 4.19Å
508	S	95.1	Very high	86.6	Confident	28 Å²	28	43.7 Å²	43.7	20%	0.196	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	110.9	-174	175	0	0	0	0	111.9	N478 W692	N478-S508 PolarHBondContact O-N 3.19Å; S508-W692 VanDerWaalsContact N-CE3 3.33Å
509	I	96.5	Very high	87.9	Confident	11 Å²	11	42 Å²	42	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-59.6	172.2	-53.9	162.1	0	0	0	108.6	N507 K525 V529 V533 L691 Q693	N507-I509 PolarHBondContact O-N 2.7Å; N507-I509 VanDerWaalsContact O-N 3.15Å; I509-K525 HydrophobicContact CG2-CB 4.02Å; I509-K525 WeakPolarHBondContact O-CD 3.45Å; I509-K525 WeakPolarHBondContact O-CE 3.31Å; I509-K525 PolarHBondContact O-NZ 2.91Å; I509-V529 HydrophobicContact CD1-CG1 3.89Å; I509-V529 HydrophobicContact CG1-CG1 4.29Å; I509-V529 HydrophobicContact CG1-CG2 4.33Å; I509-V529 HydrophobicContact CG2-CG2 4.18Å; I509-V533 HydrophobicContact CD1-CB 4.38Å; I509-V533 HydrophobicContact CD1-CG1 3.66Å; I509-V533 HydrophobicContact CD1-CG2 3.8Å; I509-L691 WeakPolarHBondContact CA-O 2.96Å; I509-L691 HydrophobicContact CB-CB 4.14Å; I509-L691 WeakPolarHBondContact CB-O 3.36Å; I509-L691 HydrophobicContact CD1-CB 4.25Å; I509-L691 PolarHBondContact N-O 3.39Å; I509-Q693 HydrophobicContact CD1-CB 3.93Å; I509-Q693 HydrophobicContact CG1-CB 3.96Å
510	Y	97.4	Very high	89.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138.9	-168.9	-173	-78.2	0	0	0	110.6	D515 G516 S518 T521 V522 K525 L611 F689 E690 L691	Y510-D515 VanDerWaalsContact CA-OD2 3.31Å; Y510-D515 WeakPolarHBondContact CA-OD2 3.31Å; Y510-D515 HydrophobicContact CD1-CB 4.41Å; Y510-D515 HydrophobicContact CD2-CB 3.82Å; Y510-D515 HydrophobicContact CE1-CB 4.09Å; Y510-D515 HydrophobicContact CE2-CB 3.5Å; Y510-D515 VanDerWaalsContact CE2-CB 3.5Å; Y510-D515 HydrophobicContact CG-CB 4.26Å; Y510-G516 PolarHBondContact OH-O 3.45Å; Y510-S518 PolarHBondContact OH-N 2.87Å; Y510-S518 PolarHBondContact OH-O 3.25Å; Y510-T521 HydrophobicContact CD2-CG2 4.49Å; Y510-T521 HydrophobicContact CE2-CG2 3.76Å; Y510-V522 HydrophobicContact CD1-CG2 4.02Å; Y510-V522 HydrophobicContact CD2-CB 4.26Å; Y510-V522 HydrophobicContact CD2-CG2 3.61Å; Y510-V522 HydrophobicContact CE1-CG2 3.89Å; Y510-V522 HydrophobicContact CE2-CB 4.23Å; Y510-V522 HydrophobicContact CE2-CG2 3.41Å; Y510-V522 VanDerWaalsContact CE2-CG2 3.41Å; Y510-V522 HydrophobicContact CG-CG2 3.91Å; Y510-K525 HydrophobicContact CD2-CD 4.24Å; Y510-L611 HydrophobicContact CE1-CD1 3.9Å; Y510-L611 WeakPolarHBondContact OH-CD1 3.34Å; Y510-F689 AromaticContact CD1-CD1 3.89Å; Y510-F689 HydrophobicContact CD1-CD1 3.89Å; Y510-F689 HydrophobicContact CD1-CE1 4.19Å; Y510-F689 AromaticContact CE1-CD1 3.98Å; Y510-F689 HydrophobicContact CE1-CD1 3.98Å; Y510-F689 HydrophobicContact CE1-CE1 4.43Å; Y510-E690 CarbonylContact O-C 3.55Å; Y510-E690 VanDerWaalsContact O-CA 3.31Å; Y510-E690 WeakPolarHBondContact O-CA 3.43Å; Y510-L691 PolarHBondContact N-O 3.2Å; Y510-L691 PolarHBondContact O-N 2.91Å
511	K	97.1	Very high	90.8	Very high	23 Å²	23	36.9 Å²	36.9	10%	0.1	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.4	168.2	-64.9	-170.8	-75.6	144.3	0	109.4	E481 E513 D514 D515 E690 W692	E481-K511 PolarHBondContact O-NZ 3.01Å; K511-E513 PolarHBondContact O-N 3.4Å; K511-E513 VanDerWaalsContact O-N 3.17Å; K511-D514 WeakPolarHBondContact CE-OD2 3.44Å; K511-D514 IonicContact NZ-OD2 2.76Å; K511-D514 PolarHBondContact NZ-OD2 2.5Å; K511-D514 PolarHBondContact O-N 3.23Å; K511-D515 PolarHBondContact N-OD2 3.28Å; K511-D515 WeakPolarHBondContact O-CB 3.34Å; K511-D515 PolarHBondContact O-N 3.31Å; K511-E690 HydrophobicContact CB-CG 4.39Å; K511-E690 HydrophobicContact CD-CG 4.44Å; K511-E690 HydrophobicContact CG-CB 4.33Å; K511-E690 HydrophobicContact CG-CG 3.93Å; K511-W692 HydrophobicContact CD-CZ2 4.19Å
512	S	96.7	Very high	92.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-19.8	-175	62.3	0	0	0	0	114.4	G516 Y517 F689	S512-G516 VanDerWaalsContact CA-O 3.3Å; S512-G516 WeakPolarHBondContact CA-O 3.22Å; S512-G516 CarbonylContact O-C 3.51Å; S512-G516 WeakPolarHBondContact O-CA 3.41Å; S512-G516 PolarHBondContact O-N 3.35Å; S512-G516 VanDerWaalsContact O-N 3.17Å; S512-Y517 VanDerWaalsContact O-CE2 3.28Å; S512-Y517 WeakPolarHBondContact O-CE2 3.38Å; S512-Y517 PolarHBondContact OG-OH 2.75Å; S512-F689 PolarHBondContact N-O 3.37Å; S512-F689 PolarHBondContact OG-N 2.96Å
513	E	94.5	Very high	93.5	Very high	112 Å²	112	35 Å²	35	52%	0.523	19%	0.189	S	C	.	.	H	α-helix	trans	-70.9	-36.7	173.1	-59.9	-179.6	176.9	0	0	112.1	K511 R538 T688	K511-E513 PolarHBondContact O-N 3.4Å; K511-E513 VanDerWaalsContact O-N 3.17Å; E513-R538 IonicContact OE1-NH2 3.13Å; E513-T688 HydrophobicContact CG-CG2 4.23Å
514	D	95.4	Very high	94.8	Very high	110 Å²	110	40.1 Å²	40.1	59%	0.588	20%	0.2	S	C	*	.	H	α-helix	trans	-94.1	-41.3	-177.7	-64.6	-59.5	0	0	0	112.8	K511	K511-D514 WeakPolarHBondContact CE-OD2 3.44Å; K511-D514 IonicContact NZ-OD2 2.76Å; K511-D514 PolarHBondContact NZ-OD2 2.5Å; K511-D514 PolarHBondContact O-N 3.23Å
515	D	96.3	Very high	95.8	Very high	44 Å²	44	44 Å²	44	24%	0.235	22%	0.218	C	C	.	.	H	α-helix	trans	-99	-7.3	-173.1	-65	-59.2	0	0	0	114	Y510 K511 T521 K525	Y510-D515 VanDerWaalsContact CA-OD2 3.31Å; Y510-D515 WeakPolarHBondContact CA-OD2 3.31Å; Y510-D515 HydrophobicContact CD1-CB 4.41Å; Y510-D515 HydrophobicContact CD2-CB 3.82Å; Y510-D515 HydrophobicContact CE1-CB 4.09Å; Y510-D515 HydrophobicContact CE2-CB 3.5Å; Y510-D515 VanDerWaalsContact CE2-CB 3.5Å; Y510-D515 HydrophobicContact CG-CB 4.26Å; K511-D515 PolarHBondContact N-OD2 3.28Å; K511-D515 WeakPolarHBondContact O-CB 3.34Å; K511-D515 PolarHBondContact O-N 3.31Å; D515-T521 HydrophobicContact CB-CG2 4.34Å; D515-K525 WeakPolarHBondContact OD1-CE 3.47Å; D515-K525 IonicContact OD1-NZ 3.4Å; D515-K525 PolarHBondContact OD1-NZ 3.01Å; D515-K525 IonicContact OD2-NZ 2.82Å; D515-K525 PolarHBondContact OD2-NZ 2.85Å
516	G	96	Very high	96.2	Very high	26 Å²	26	43 Å²	43	27%	0.268	21%	0.212	S	C	.	.			trans	75.8	-156.6	-175.7	0	0	0	0	0	114	Y510 S512	Y510-G516 PolarHBondContact OH-O 3.45Å; S512-G516 VanDerWaalsContact CA-O 3.3Å; S512-G516 WeakPolarHBondContact CA-O 3.22Å; S512-G516 CarbonylContact O-C 3.51Å; S512-G516 WeakPolarHBondContact O-CA 3.41Å; S512-G516 PolarHBondContact O-N 3.35Å; S512-G516 VanDerWaalsContact O-N 3.17Å
517	Y	96.1	Very high	96.2	Very high	110 Å²	110	50.1 Å²	50.1	43%	0.431	24%	0.243	S	C	.	.	S	Bend	trans	-119.8	75.7	-165.2	-69.5	-90.6	0	0	0	110.4	S512 S610 L611 D687	S512-Y517 VanDerWaalsContact O-CE2 3.28Å; S512-Y517 WeakPolarHBondContact O-CE2 3.38Å; S512-Y517 PolarHBondContact OG-OH 2.75Å; Y517-S610 WeakPolarHBondContact CB-O 3.31Å; Y517-L611 HydrophobicContact CD1-CB 4.43Å; Y517-D687 PolarHBondContact OH-O 3.24Å
518	S	96.9	Very high	96	Very high	34 Å²	34	53.6 Å²	53.6	24%	0.238	26%	0.262	C	S	.	.			trans	-154.8	121.9	175.8	-169.9	0	0	0	0	114	Y510 N520 T521 V522 E609	Y510-S518 PolarHBondContact OH-N 2.87Å; Y510-S518 PolarHBondContact OH-O 3.25Å; S518-N520 PolarHBondContact O-N 3.4Å; S518-N520 PolarHBondContact OG-N 2.75Å; S518-T521 WeakPolarHBondContact O-CA 3.29Å; S518-T521 WeakPolarHBondContact O-CB 3.41Å; S518-T521 PolarHBondContact O-N 3.04Å; S518-V522 PolarHBondContact O-N 3.09Å; S518-V522 VanDerWaalsContact O-N 3.15Å; S518-E609 WeakPolarHBondContact CA-O 3.49Å
519	L	97.7	Very high	95.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-29.2	172	-179.2	54.2	0	0	0	112.3	T521 V522 Y523 M553 S593 F594 F607 E609 L611	L519-T521 VanDerWaalsContact C-N 3.31Å; L519-T521 PolarHBondContact O-N 3.02Å; L519-V522 HydrophobicContact CD1-CB 4.29Å; L519-V522 HydrophobicContact CD1-CG1 4.41Å; L519-V522 WeakPolarHBondContact O-CB 3.27Å; L519-V522 PolarHBondContact O-N 2.99Å; L519-Y523 HydrophobicContact CD1-CD1 4.46Å; L519-Y523 HydrophobicContact CD1-CD2 4.46Å; L519-Y523 HydrophobicContact CD1-CE1 3.95Å; L519-Y523 HydrophobicContact CD1-CE2 3.95Å; L519-Y523 HydrophobicContact CD2-CE2 4.06Å; L519-Y523 HydrophobicContact CG-CD2 4.17Å; L519-Y523 HydrophobicContact CG-CE1 4.46Å; L519-Y523 HydrophobicContact CG-CE2 3.56Å; L519-Y523 VanDerWaalsContact O-CD2 3.3Å; L519-Y523 WeakPolarHBondContact O-CD2 3.31Å; L519-Y523 PolarHBondContact O-N 2.94Å; L519-M553 HydrophobicContact CD1-CE 3.64Å; L519-S593 VanDerWaalsContact CD2-C 3.46Å; L519-F594 HydrophobicContact CD1-CB 4.31Å; L519-F594 HydrophobicContact CD2-CB 4.3Å; L519-F607 HydrophobicContact CD1-CE2 4.13Å; L519-E609 PolarHBondContact N-O 3.01Å; L519-L611 HydrophobicContact CB-CD2 3.98Å; L519-L611 HydrophobicContact CD1-CD2 4.48Å
520	N	97.1	Very high	95.4	Very high	58 Å²	58	60.8 Å²	60.8	31%	0.31	29%	0.293	S	S	.	.	H	α-helix	trans	-69.3	-27.3	173.7	-76.4	-51.4	0	0	0	112.9	S518 R524 L591	S518-N520 PolarHBondContact O-N 3.4Å; S518-N520 PolarHBondContact OG-N 2.75Å; N520-R524 WeakPolarHBondContact O-CG 3.47Å; N520-R524 PolarHBondContact O-N 3.18Å; N520-R524 PolarHBondContact O-NH1 3.08Å; N520-L591 VanDerWaalsContact OD1-CD1 3.31Å; N520-L591 WeakPolarHBondContact OD1-CD1 3.32Å
521	T	97.2	Very high	94.8	Very high	25 Å²	25	63 Å²	63	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-76.6	-38.9	171.3	-57.8	0	0	0	0	110.7	Y510 D515 S518 L519 Y523 R524 K525	Y510-T521 HydrophobicContact CD2-CG2 4.49Å; Y510-T521 HydrophobicContact CE2-CG2 3.76Å; D515-T521 HydrophobicContact CB-CG2 4.34Å; S518-T521 WeakPolarHBondContact O-CA 3.29Å; S518-T521 WeakPolarHBondContact O-CB 3.41Å; S518-T521 PolarHBondContact O-N 3.04Å; L519-T521 VanDerWaalsContact C-N 3.31Å; L519-T521 PolarHBondContact O-N 3.02Å; T521-Y523 PolarHBondContact O-N 3.38Å; T521-R524 PolarHBondContact O-N 3.06Å; T521-R524 PolarHBondContact OG1-NH2 3.5Å; T521-K525 PolarHBondContact O-N 2.65Å
522	V	97.7	Very high	94.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-53.2	-54.3	170.6	171.8	0	0	0	0	111	Y510 S518 L519 R524 K525 C526 M553 L611 F689 L691	Y510-V522 HydrophobicContact CD1-CG2 4.02Å; Y510-V522 HydrophobicContact CD2-CB 4.26Å; Y510-V522 HydrophobicContact CD2-CG2 3.61Å; Y510-V522 HydrophobicContact CE1-CG2 3.89Å; Y510-V522 HydrophobicContact CE2-CB 4.23Å; Y510-V522 HydrophobicContact CE2-CG2 3.41Å; Y510-V522 VanDerWaalsContact CE2-CG2 3.41Å; Y510-V522 HydrophobicContact CG-CG2 3.91Å; S518-V522 PolarHBondContact O-N 3.09Å; S518-V522 VanDerWaalsContact O-N 3.15Å; L519-V522 HydrophobicContact CD1-CB 4.29Å; L519-V522 HydrophobicContact CD1-CG1 4.41Å; L519-V522 WeakPolarHBondContact O-CB 3.27Å; L519-V522 PolarHBondContact O-N 2.99Å; V522-R524 VanDerWaalsContact C-N 3.29Å; V522-R524 PolarHBondContact O-N 3.12Å; V522-K525 PolarHBondContact O-N 2.73Å; V522-K525 VanDerWaalsContact O-N 3.14Å; V522-C526 VanDerWaalsContact O-CB 3.3Å; V522-C526 WeakPolarHBondContact O-CB 3.32Å; V522-C526 PolarHBondContact O-N 3.03Å; V522-C526 PolarHBondContact O-SG 3.01Å; V522-M553 HydrophobicContact CG1-CB 4.18Å; V522-M553 HydrophobicContact CG1-CE 3.64Å; V522-M553 HydrophobicContact CG1-SD 3.68Å; V522-L611 HydrophobicContact CG2-CD1 3.83Å; V522-F689 HydrophobicContact CG2-CE1 3.81Å; V522-F689 HydrophobicContact CG2-CZ 4.42Å; V522-L691 HydrophobicContact CB-CD1 4.43Å; V522-L691 HydrophobicContact CG1-CD1 3.42Å; V522-L691 VanDerWaalsContact CG1-CD1 3.42Å; V522-L691 HydrophobicContact CG2-CD1 4.26Å
523	Y	97.6	Very high	94.5	Very high	28 Å²	28	62.6 Å²	62.6	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-32.8	179.6	-65.7	-42.1	0	0	0	113.7	L519 T521 K527 M553 C555 G589 S590 F594	L519-Y523 HydrophobicContact CD1-CD1 4.46Å; L519-Y523 HydrophobicContact CD1-CD2 4.46Å; L519-Y523 HydrophobicContact CD1-CE1 3.95Å; L519-Y523 HydrophobicContact CD1-CE2 3.95Å; L519-Y523 HydrophobicContact CD2-CE2 4.06Å; L519-Y523 HydrophobicContact CG-CD2 4.17Å; L519-Y523 HydrophobicContact CG-CE1 4.46Å; L519-Y523 HydrophobicContact CG-CE2 3.56Å; L519-Y523 VanDerWaalsContact O-CD2 3.3Å; L519-Y523 WeakPolarHBondContact O-CD2 3.31Å; L519-Y523 PolarHBondContact O-N 2.94Å; T521-Y523 PolarHBondContact O-N 3.38Å; Y523-K527 PolarHBondContact O-N 2.69Å; Y523-M553 HydrophobicContact CD1-CB 4.42Å; Y523-M553 HydrophobicContact CE1-CB 4.43Å; Y523-C555 WeakPolarHBondContact CE2-SG 3.18Å; Y523-G589 VanDerWaalsContact OH-CA 3.25Å; Y523-G589 WeakPolarHBondContact OH-CA 3.04Å; Y523-S590 WeakPolarHBondContact CE2-O 3.33Å; Y523-S590 PolarHBondContact OH-N 3.11Å; Y523-S590 VanDerWaalsContact OH-N 3.07Å; Y523-S590 PolarHBondContact OH-O 3.29Å; Y523-F594 HydrophobicContact CE1-CD2 4.05Å; Y523-F594 HydrophobicContact CE1-CE2 4.32Å
524	R	96.9	Very high	94.5	Very high	157 Å²	157	57.3 Å²	57.3	59%	0.592	29%	0.291	S	S	*	.	H	α-helix	trans	-68.3	-41.5	175.2	-73.2	-169	-44.3	-78.9	4	111.9	N520 T521 V522	N520-R524 WeakPolarHBondContact O-CG 3.47Å; N520-R524 PolarHBondContact O-N 3.18Å; N520-R524 PolarHBondContact O-NH1 3.08Å; T521-R524 PolarHBondContact O-N 3.06Å; T521-R524 PolarHBondContact OG1-NH2 3.5Å; V522-R524 VanDerWaalsContact C-N 3.29Å; V522-R524 PolarHBondContact O-N 3.12Å
525	K	96	Very high	94.7	Very high	83 Å²	83	52 Å²	52	36%	0.361	26%	0.263	S	S	.	.	H	α-helix	trans	-71.4	-38.9	176.6	-78	-151.1	170.9	178.3	0	113.1	I509 Y510 D515 T521 V522 K527 V529	I509-K525 HydrophobicContact CG2-CB 4.02Å; I509-K525 WeakPolarHBondContact O-CD 3.45Å; I509-K525 WeakPolarHBondContact O-CE 3.31Å; I509-K525 PolarHBondContact O-NZ 2.91Å; Y510-K525 HydrophobicContact CD2-CD 4.24Å; D515-K525 WeakPolarHBondContact OD1-CE 3.47Å; D515-K525 IonicContact OD1-NZ 3.4Å; D515-K525 PolarHBondContact OD1-NZ 3.01Å; D515-K525 IonicContact OD2-NZ 2.82Å; D515-K525 PolarHBondContact OD2-NZ 2.85Å; T521-K525 PolarHBondContact O-N 2.65Å; V522-K525 PolarHBondContact O-N 2.73Å; V522-K525 VanDerWaalsContact O-N 3.14Å; K525-K527 PolarHBondContact O-N 3.24Å; K525-V529 WeakPolarHBondContact O-CG2 3.49Å
526	C	96.2	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70.3	-15.5	-179.4	-72.5	0	0	0	0	114.2	V522 D528 V529 T552 M553	V522-C526 VanDerWaalsContact O-CB 3.3Å; V522-C526 WeakPolarHBondContact O-CB 3.32Å; V522-C526 PolarHBondContact O-N 3.03Å; V522-C526 PolarHBondContact O-SG 3.01Å; C526-D528 PolarHBondContact O-N 3.02Å; C526-V529 PolarHBondContact O-N 3.19Å; C526-T552 VanDerWaalsContact CB-OG1 3.24Å; C526-T552 WeakPolarHBondContact CB-OG1 3.23Å; C526-T552 WeakPolarHBondContact O-CG2 3.31Å; C526-T552 PolarHBondContact O-OG1 3.38Å; C526-M553 HydrophobicContact CB-CB 4.31Å; C526-M553 VanDerWaalsContact CB-O 3.29Å; C526-M553 WeakPolarHBondContact CB-O 3.37Å
527	K	92.6	Very high	94.8	Very high	150 Å²	150	48.7 Å²	48.7	65%	0.652	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-42.8	-172.3	-179.9	-176.2	157.2	-75.5	0	113.8	Y523 K525	Y523-K527 PolarHBondContact O-N 2.69Å; K525-K527 PolarHBondContact O-N 3.24Å
528	D	89.3	Confident	94.9	Very high	126 Å²	126	46.1 Å²	46.1	67%	0.674	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.4	22.2	-173.1	-54.8	-50.2	0	0	0	111	C526	C526-D528 PolarHBondContact O-N 3.02Å
529	V	91.3	Very high	94.8	Very high	23 Å²	23	44.6 Å²	44.6	14%	0.139	22%	0.218	C	C	.	.			trans	-107.6	116.3	177.8	176.5	0	0	0	0	109.5	I509 K525 C526 V533 T552 Q693	I509-V529 HydrophobicContact CD1-CG1 3.89Å; I509-V529 HydrophobicContact CG1-CG1 4.29Å; I509-V529 HydrophobicContact CG1-CG2 4.33Å; I509-V529 HydrophobicContact CG2-CG2 4.18Å; K525-V529 WeakPolarHBondContact O-CG2 3.49Å; C526-V529 PolarHBondContact O-N 3.19Å; V529-V533 HydrophobicContact CG1-CG2 4.46Å; V529-T552 WeakPolarHBondContact O-CB 3.46Å; V529-T552 WeakPolarHBondContact O-CG2 3.37Å; V529-Q693 HydrophobicContact CG1-CB 4.16Å; V529-Q693 HydrophobicContact CG1-CG 3.89Å
530	E	87.7	Confident	94.5	Very high	167 Å²	167	48.2 Å²	48.2	78%	0.78	24%	0.24	S	C	*	.			trans	-97.4	158.6	175.7	-62.3	-171.5	169.5	0	0	112.1	Q693	E530-Q693 PolarHBondContact O-NE2 3.39Å
531	G	85.5	Confident	94.2	Very high	45 Å²	45	52.2 Å²	52.2	46%	0.464	26%	0.259	S	S	.	.	S	Bend	trans	85	-159.5	-179.1	0	0	0	0	0	114.3
532	S	91.5	Very high	94	Very high	17 Å²	17	52.5 Å²	52.5	12%	0.119	27%	0.267	C	S	.	.			trans	-94.8	150.8	-171.9	-54.3	0	0	0	0	112.4	W501 M549 S550 L694	W501-S532 VanDerWaalsContact CZ2-OG 3.31Å; W501-S532 WeakPolarHBondContact CZ2-OG 3.43Å; S532-M549 CarbonylContact C-O 3.43Å; S532-M549 WeakPolarHBondContact CA-O 3.47Å; S532-M549 VanDerWaalsContact CB-O 3.25Å; S532-M549 WeakPolarHBondContact CB-O 3.25Å; S532-S550 PolarHBondContact OG-O 3.11Å; S532-L694 PolarHBondContact O-N 3.46Å
533	V	94.7	Very high	93.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.2	-169.3	178.8	0	0	0	0	111.3	I509 V529 M549 L691 W692	I509-V533 HydrophobicContact CD1-CB 4.38Å; I509-V533 HydrophobicContact CD1-CG1 3.66Å; I509-V533 HydrophobicContact CD1-CG2 3.8Å; V529-V533 HydrophobicContact CG1-CG2 4.46Å; V533-M549 HydrophobicContact CB-CE 3.98Å; V533-M549 HydrophobicContact CG1-CE 3.79Å; V533-M549 PolarHBondContact N-O 3.33Å; V533-M549 WeakPolarHBondContact O-CB 3.34Å; V533-M549 PolarHBondContact O-N 3.41Å; V533-L691 HydrophobicContact CG1-CB 4.14Å; V533-L691 HydrophobicContact CG1-CD2 3.7Å; V533-W692 CarbonylContact C-O 3.48Å; V533-W692 WeakPolarHBondContact CA-O 3.38Å
534	L	95.6	Very high	93.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116	168.6	172.9	68	0	0	0	109.1	L493 L506 L536 V548 F568 L691 W692 L694	L493-L534 HydrophobicContact CD1-CD2 3.87Å; L493-L534 HydrophobicContact CD2-CD1 4.26Å; L506-L534 HydrophobicContact CD1-CD2 3.79Å; L506-L534 HydrophobicContact CD2-CB 4.31Å; L506-L534 HydrophobicContact CD2-CD2 3.95Å; L534-L536 HydrophobicContact CD1-CD2 4.12Å; L534-L536 HydrophobicContact CD1-CG 4.38Å; L534-L536 HydrophobicContact CD2-CD1 4.13Å; L534-L536 HydrophobicContact CD2-CD2 4.43Å; L534-L536 HydrophobicContact CD2-CG 4.27Å; L534-L536 HydrophobicContact CG-CD1 4.39Å; L534-L536 HydrophobicContact CG-CD2 4.27Å; L534-L536 HydrophobicContact CG-CG 4.04Å; L534-V548 HydrophobicContact CD1-CG2 3.97Å; L534-F568 HydrophobicContact CD1-CE1 3.69Å; L534-F568 HydrophobicContact CD1-CZ 3.51Å; L534-L691 WeakPolarHBondContact O-CA 3.33Å; L534-W692 HydrophobicContact CB-CB 4.3Å; L534-W692 PolarHBondContact N-O 3.15Å; L534-W692 PolarHBondContact O-N 2.83Å; L534-L694 HydrophobicContact CB-CD1 3.79Å
535	L	98	Very high	93.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.6	166.6	167	65.6	0	0	0	109.5	I537 G546 A547 M549 I596 F607 F689 L691	L535-I537 HydrophobicContact CD1-CD1 4.47Å; L535-I537 HydrophobicContact CD1-CG1 4.04Å; L535-I537 HydrophobicContact CD2-CD1 4.34Å; L535-I537 HydrophobicContact CG-CG1 4.31Å; L535-G546 VanDerWaalsContact O-CA 3.28Å; L535-G546 WeakPolarHBondContact O-CA 3.35Å; L535-A547 PolarHBondContact N-O 3.03Å; L535-A547 PolarHBondContact O-N 3.18Å; L535-A547 VanDerWaalsContact O-N 3.12Å; L535-M549 HydrophobicContact CB-CE 3.88Å; L535-I596 HydrophobicContact CD2-CD1 3.5Å; L535-I596 VanDerWaalsContact CD2-CD1 3.5Å; L535-F607 HydrophobicContact CD2-CE1 3.91Å; L535-F607 HydrophobicContact CD2-CZ 4.37Å; L535-F689 HydrophobicContact CD1-CD2 4.01Å; L535-F689 HydrophobicContact CD1-CE1 4.15Å; L535-F689 HydrophobicContact CD1-CE2 3.43Å; L535-F689 VanDerWaalsContact CD1-CE2 3.43Å; L535-F689 HydrophobicContact CD1-CZ 3.5Å; L535-L691 HydrophobicContact CB-CD2 3.86Å; L535-L691 HydrophobicContact CD1-CD2 3.83Å; L535-L691 HydrophobicContact CD1-CG 4.44Å; L535-L691 HydrophobicContact CG-CD2 4.43Å
536	L	97.9	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.8	172.8	-62.9	165.5	0	0	0	110.3	I484 L485 L534 F568 W570 E690	I484-L536 HydrophobicContact CD1-CB 3.9Å; I484-L536 HydrophobicContact CG2-CB 4.3Å; L485-L536 HydrophobicContact CD1-CD1 3.77Å; L485-L536 HydrophobicContact CD2-CD1 3.64Å; L485-L536 HydrophobicContact CD2-CD2 4.08Å; L485-L536 HydrophobicContact CG-CD1 3.53Å; L534-L536 HydrophobicContact CD1-CD2 4.12Å; L534-L536 HydrophobicContact CD1-CG 4.38Å; L534-L536 HydrophobicContact CD2-CD1 4.13Å; L534-L536 HydrophobicContact CD2-CD2 4.43Å; L534-L536 HydrophobicContact CD2-CG 4.27Å; L534-L536 HydrophobicContact CG-CD1 4.39Å; L534-L536 HydrophobicContact CG-CD2 4.27Å; L534-L536 HydrophobicContact CG-CG 4.04Å; L536-F568 HydrophobicContact CD2-CE2 4.01Å; L536-F568 HydrophobicContact CD2-CZ 3.96Å; L536-W570 HydrophobicContact CD2-CZ3 4.07Å; L536-E690 HydrophobicContact CB-CB 4.34Å; L536-E690 PolarHBondContact N-O 2.92Å; L536-E690 PolarHBondContact O-N 3.2Å
537	I	97.9	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.9	173.5	-59.1	-179.7	0	0	0	108.1	L535 V544 F545 I605 F607 F684 I686 F689	L535-I537 HydrophobicContact CD1-CD1 4.47Å; L535-I537 HydrophobicContact CD1-CG1 4.04Å; L535-I537 HydrophobicContact CD2-CD1 4.34Å; L535-I537 HydrophobicContact CG-CG1 4.31Å; I537-V544 WeakPolarHBondContact O-CA 3.11Å; I537-F545 HydrophobicContact CB-CD2 4.43Å; I537-F545 HydrophobicContact CB-CE1 4.39Å; I537-F545 HydrophobicContact CB-CE2 3.98Å; I537-F545 HydrophobicContact CB-CZ 3.95Å; I537-F545 HydrophobicContact CD1-CE2 4.14Å; I537-F545 HydrophobicContact CG2-CE1 4.04Å; I537-F545 HydrophobicContact CG2-CE2 4.06Å; I537-F545 HydrophobicContact CG2-CZ 3.57Å; I537-F545 PolarHBondContact N-O 2.94Å; I537-F545 PolarHBondContact O-N 3.31Å; I537-F545 VanDerWaalsContact O-N 3.08Å; I537-F545 VanDerWaalsContact O-O 3.13Å; I537-I605 HydrophobicContact CD1-CG2 3.85Å; I537-F607 HydrophobicContact CD1-CD1 4.07Å; I537-F607 HydrophobicContact CD1-CE1 4.34Å; I537-F684 HydrophobicContact CD1-CE2 4.5Å; I537-F684 HydrophobicContact CD1-CZ 4.48Å; I537-F684 HydrophobicContact CG2-CE2 4.12Å; I537-I686 HydrophobicContact CG2-CG1 4.02Å; I537-I686 HydrophobicContact CG2-CG2 4.44Å; I537-F689 HydrophobicContact CD1-CD2 4.33Å; I537-F689 HydrophobicContact CD1-CE2 4.43Å; I537-F689 HydrophobicContact CG1-CD2 4.01Å; I537-F689 HydrophobicContact CG1-CE2 4.43Å
538	R	97	Very high	94	Very high	55 Å²	55	34.2 Å²	34.2	21%	0.208	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129	159	178.3	167.8	62.2	-136	-2.3	108.4	G483 I484 E513 V543 V544 D687 T688	G483-R538 PolarHBondContact O-NH1 3.17Å; I484-R538 HydrophobicContact CD1-CB 4.18Å; I484-R538 HydrophobicContact CG1-CB 4.3Å; E513-R538 IonicContact OE1-NH2 3.13Å; R538-V543 WeakPolarHBondContact CA-O 3.42Å; R538-V544 HydrophobicContact CB-CG2 4.28Å; R538-V544 HydrophobicContact CG-CG2 4.39Å; R538-D687 HydrophobicContact CG-CB 4.34Å; R538-D687 IonicContact CZ-OD2 3.69Å; R538-D687 IonicContact NE-OD2 2.82Å; R538-D687 PolarHBondContact NE-OD2 3.31Å; R538-D687 IonicContact NH2-OD2 2.73Å; R538-D687 PolarHBondContact O-N 2.9Å; R538-T688 PolarHBondContact N-O 3.45Å; R538-T688 PolarHBondContact NH2-OG1 2.85Å; R538-T688 PolarHBondContact O-N 3.17Å; R538-T688 VanDerWaalsContact O-N 3.15Å
539	D	94.6	Very high	94.3	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	166.5	169.3	68.2	27.8	0	0	0	112.3	M541 G542 V543 F545 S628 F684 I685	D539-M541 PolarHBondContact O-N 3.02Å; D539-M541 WeakPolarHBondContact OD1-CA 3.44Å; D539-M541 WeakPolarHBondContact OD1-CB 3.43Å; D539-M541 PolarHBondContact OD1-N 3.5Å; D539-G542 WeakPolarHBondContact O-CA 3.45Å; D539-G542 PolarHBondContact O-N 3.42Å; D539-G542 PolarHBondContact OD1-N 2.93Å; D539-G542 VanDerWaalsContact OD1-N 3.12Å; D539-V543 PolarHBondContact N-O 3.47Å; D539-V543 PolarHBondContact OD1-N 3.02Å; D539-V543 WeakPolarHBondContact OD2-CB 3.46Å; D539-F545 HydrophobicContact CB-CE1 4.27Å; D539-S628 PolarHBondContact OD2-OG 3.12Å; D539-F684 HydrophobicContact CB-CB 4.12Å; D539-I685 CarbonylContact C-O 3.55Å; D539-I685 WeakPolarHBondContact CA-O 3.3Å; D539-I685 WeakPolarHBondContact CB-O 3.4Å
540	T	92.8	Very high	94.4	Very high	75 Å²	75	27.6 Å²	27.6	46%	0.46	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-1.2	178.6	60.3	0	0	0	0	114.6	I685 D687	T540-I685 HydrophobicContact CG2-CB 3.86Å; T540-I685 HydrophobicContact CG2-CG2 3.68Å; T540-I685 PolarHBondContact N-O 2.82Å; T540-D687 HydrophobicContact CG2-CB 3.99Å
541	M	90.5	Very high	94.7	Very high	143 Å²	143	22.6 Å²	22.6	70%	0.704	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	3.1	170.1	-55.1	-61.3	-70.4	0	0	111.6	D539 V543	D539-M541 PolarHBondContact O-N 3.02Å; D539-M541 WeakPolarHBondContact OD1-CA 3.44Å; D539-M541 WeakPolarHBondContact OD1-CB 3.43Å; D539-M541 PolarHBondContact OD1-N 3.5Å; M541-V543 VanDerWaalsContact C-N 3.3Å; M541-V543 HydrophobicContact CB-CG2 4.43Å; M541-V543 PolarHBondContact O-N 2.83Å
542	G	91.8	Very high	95.2	Very high	31 Å²	31	21.4 Å²	21.4	32%	0.32	12%	0.119	S	C	.	.			trans	69	23.9	-177.7	0	0	0	0	0	113.3	D539 K571	D539-G542 WeakPolarHBondContact O-CA 3.45Å; D539-G542 PolarHBondContact O-N 3.42Å; D539-G542 PolarHBondContact OD1-N 2.93Å; D539-G542 VanDerWaalsContact OD1-N 3.12Å; G542-K571 PolarHBondContact O-NZ 2.89Å
543	V	93.4	Very high	95.4	Very high	18 Å²	18	20.7 Å²	20.7	11%	0.109	11%	0.114	C	C	.	.			trans	-81.2	133.1	166.8	-168	0	0	0	0	108.3	R538 D539 M541 F545 K571	R538-V543 WeakPolarHBondContact CA-O 3.42Å; D539-V543 PolarHBondContact N-O 3.47Å; D539-V543 PolarHBondContact OD1-N 3.02Å; D539-V543 WeakPolarHBondContact OD2-CB 3.46Å; M541-V543 VanDerWaalsContact C-N 3.3Å; M541-V543 HydrophobicContact CB-CG2 4.43Å; M541-V543 PolarHBondContact O-N 2.83Å; V543-F545 HydrophobicContact CG1-CD1 4.31Å; V543-K571 HydrophobicContact CG1-CB 4.28Å; V543-K571 HydrophobicContact CG1-CD 4.32Å; V543-K571 HydrophobicContact CG2-CD 4.28Å
544	V	96.1	Very high	95.5	Very high	16 Å²	16	24.7 Å²	24.7	10%	0.097	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.3	172.9	-173.7	0	0	0	0	109.8	I484 M489 I537 R538 W570	I484-V544 HydrophobicContact CG2-CB 4.4Å; I484-V544 HydrophobicContact CG2-CG1 3.46Å; I484-V544 VanDerWaalsContact CG2-CG1 3.46Å; I484-V544 HydrophobicContact CG2-CG2 3.99Å; M489-V544 HydrophobicContact CE-CB 4.05Å; M489-V544 HydrophobicContact CE-CG1 3.76Å; M489-V544 HydrophobicContact CE-CG2 4.25Å; I537-V544 WeakPolarHBondContact O-CA 3.11Å; R538-V544 HydrophobicContact CB-CG2 4.28Å; R538-V544 HydrophobicContact CG-CG2 4.39Å; V544-W570 HydrophobicContact CB-CE3 4.26Å; V544-W570 HydrophobicContact CG1-CE3 3.86Å; V544-W570 HydrophobicContact CG1-CZ3 4.17Å; V544-W570 PolarHBondContact O-N 2.8Å
545	F	97	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	174.2	178.6	59.6	-82.2	0	0	0	109.3	I537 D539 V543 F568 H569 I605 L627 F684	I537-F545 HydrophobicContact CB-CD2 4.43Å; I537-F545 HydrophobicContact CB-CE1 4.39Å; I537-F545 HydrophobicContact CB-CE2 3.98Å; I537-F545 HydrophobicContact CB-CZ 3.95Å; I537-F545 HydrophobicContact CD1-CE2 4.14Å; I537-F545 HydrophobicContact CG2-CE1 4.04Å; I537-F545 HydrophobicContact CG2-CE2 4.06Å; I537-F545 HydrophobicContact CG2-CZ 3.57Å; I537-F545 PolarHBondContact N-O 2.94Å; I537-F545 PolarHBondContact O-N 3.31Å; I537-F545 VanDerWaalsContact O-N 3.08Å; I537-F545 VanDerWaalsContact O-O 3.13Å; D539-F545 HydrophobicContact CB-CE1 4.27Å; V543-F545 HydrophobicContact CG1-CD1 4.31Å; F545-F568 WeakPolarHBondContact CA-O 3.41Å; F545-F568 VanDerWaalsContact CB-O 3.3Å; F545-F568 WeakPolarHBondContact CB-O 3.44Å; F545-H569 HydrophobicContact CB-CB 4.01Å; F545-I605 HydrophobicContact CD2-CD1 4.09Å; F545-I605 HydrophobicContact CD2-CG1 4.39Å; F545-I605 HydrophobicContact CE2-CD1 4.49Å; F545-L627 HydrophobicContact CB-CB 3.94Å; F545-L627 WeakPolarHBondContact CB-O 3.33Å; F545-L627 HydrophobicContact CD2-CB 3.96Å; F545-L627 HydrophobicContact CG-CB 4.04Å; F545-F684 HydrophobicContact CE2-CD1 4.44Å; F545-F684 AromaticContact CE2-CE1 3.76Å; F545-F684 HydrophobicContact CE2-CE1 3.76Å; F545-F684 HydrophobicContact CE2-CE2 4.19Å; F545-F684 AromaticContact CE2-CZ 3.63Å; F545-F684 HydrophobicContact CE2-CZ 3.63Å; F545-F684 AromaticContact CZ-CD1 3.86Å; F545-F684 HydrophobicContact CZ-CD1 3.86Å; F545-F684 AromaticContact CZ-CD2 3.91Å; F545-F684 HydrophobicContact CZ-CD2 3.91Å; F545-F684 AromaticContact CZ-CE1 3.59Å; F545-F684 HydrophobicContact CZ-CE1 3.59Å; F545-F684 AromaticContact CZ-CE2 3.66Å; F545-F684 HydrophobicContact CZ-CE2 3.66Å; F545-F684 HydrophobicContact CZ-CG 4.02Å; F545-F684 AromaticContact CZ-CZ 3.5Å; F545-F684 HydrophobicContact CZ-CZ 3.5Å
546	G	97.5	Very high	95.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-161.8	-176.1	0	0	0	0	0	113.5	L535 V567 F568	L535-G546 VanDerWaalsContact O-CA 3.28Å; L535-G546 WeakPolarHBondContact O-CA 3.35Å; G546-V567 WeakPolarHBondContact O-CA 3.5Å; G546-F568 VanDerWaalsContact C-CZ 3.47Å; G546-F568 VanDerWaalsContact CA-CE2 3.46Å; G546-F568 VanDerWaalsContact N-CE2 3.34Å; G546-F568 PolarHBondContact N-O 3.47Å; G546-F568 PolarHBondContact O-N 3Å
547	A	97.6	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151	178.2	0	0	0	0	0	110.6	L535 M549 F566 V567 F568 I596 I605	L535-A547 PolarHBondContact N-O 3.03Å; L535-A547 PolarHBondContact O-N 3.18Å; L535-A547 VanDerWaalsContact O-N 3.12Å; A547-M549 HydrophobicContact CB-CG 4.35Å; A547-F566 CarbonylContact C-O 3.55Å; A547-F566 WeakPolarHBondContact CA-O 3.26Å; A547-F566 WeakPolarHBondContact CB-O 3.49Å; A547-V567 HydrophobicContact CB-CG1 3.97Å; A547-F568 VanDerWaalsContact C-CE1 3.43Å; A547-I596 HydrophobicContact CB-CD1 3.9Å; A547-I596 HydrophobicContact CB-CG2 4.18Å; A547-I605 HydrophobicContact CB-CD1 4.42Å
548	V	95.5	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.1	153.3	-163.9	0	0	0	0	107.4	F497 W501 L534 T565 F566 F568 L694	F497-V548 HydrophobicContact CD1-CG2 4.47Å; F497-V548 HydrophobicContact CE1-CG2 3.99Å; W501-V548 HydrophobicContact CE3-CG1 3.95Å; W501-V548 HydrophobicContact CH2-CG1 3.75Å; W501-V548 HydrophobicContact CZ3-CB 3.87Å; W501-V548 HydrophobicContact CZ3-CG1 3.28Å; W501-V548 HydrophobicContact CZ3-CG2 4.45Å; L534-V548 HydrophobicContact CD1-CG2 3.97Å; V548-T565 VanDerWaalsContact O-CA 3.27Å; V548-T565 WeakPolarHBondContact O-CA 3.46Å; V548-T565 WeakPolarHBondContact O-CG2 3.37Å; V548-F566 HydrophobicContact CB-CD1 4.33Å; V548-F566 HydrophobicContact CB-CE1 3.91Å; V548-F566 HydrophobicContact CB-CE2 4.49Å; V548-F566 HydrophobicContact CB-CZ 4.01Å; V548-F566 HydrophobicContact CG2-CE1 3.87Å; V548-F566 HydrophobicContact CG2-CE2 3.87Å; V548-F566 HydrophobicContact CG2-CZ 3.44Å; V548-F566 VanDerWaalsContact CG2-CZ 3.44Å; V548-F566 PolarHBondContact N-O 3.16Å; V548-F566 PolarHBondContact O-N 2.93Å; V548-F568 HydrophobicContact CG2-CE1 4.05Å; V548-L694 HydrophobicContact CG1-CD1 4.03Å; V548-L694 HydrophobicContact CG1-CD2 4.1Å
549	M	96	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.2	-175.2	-67.6	-176.4	-60.8	0	0	108.3	S532 V533 L535 A547 E551 M553 M587 F594 I596 L691	S532-M549 CarbonylContact C-O 3.43Å; S532-M549 WeakPolarHBondContact CA-O 3.47Å; S532-M549 VanDerWaalsContact CB-O 3.25Å; S532-M549 WeakPolarHBondContact CB-O 3.25Å; V533-M549 HydrophobicContact CB-CE 3.98Å; V533-M549 HydrophobicContact CG1-CE 3.79Å; V533-M549 PolarHBondContact N-O 3.33Å; V533-M549 WeakPolarHBondContact O-CB 3.34Å; V533-M549 PolarHBondContact O-N 3.41Å; L535-M549 HydrophobicContact CB-CE 3.88Å; A547-M549 HydrophobicContact CB-CG 4.35Å; M549-E551 PolarHBondContact O-N 2.73Å; M549-M553 HydrophobicContact CE-CG 3.62Å; M549-M553 HydrophobicContact CE-SD 4.01Å; M549-M553 HydrophobicContact SD-CG 4Å; M549-M587 HydrophobicContact CB-CE 4.26Å; M549-M587 HydrophobicContact CB-SD 3.42Å; M549-M587 WeakPolarHBondContact CB-SD 3.31Å; M549-M587 HydrophobicContact CG-CG 4.44Å; M549-M587 HydrophobicContact CG-SD 3.48Å; M549-M587 WeakPolarHBondContact CG-SD 3.28Å; M549-M587 HydrophobicContact SD-SD 3.78Å; M549-F594 HydrophobicContact SD-CE1 3.97Å; M549-F594 HydrophobicContact SD-CZ 4.33Å; M549-I596 HydrophobicContact CG-CD1 4.3Å; M549-I596 HydrophobicContact SD-CD1 3.78Å; M549-L691 HydrophobicContact CE-CD2 3.72Å
550	S	93.6	Very high	94.9	Very high	10 Å²	10	46.1 Å²	46.1	7%	0.07	24%	0.239	C	C	.	.	S	Bend	trans	-63.1	-25.1	-178.6	66.7	0	0	0	0	113.3	S532 G561 T562 T565	S532-S550 PolarHBondContact OG-O 3.11Å; S550-G561 VanDerWaalsContact OG-CA 3.28Å; S550-G561 WeakPolarHBondContact OG-CA 3.43Å; S550-T562 WeakPolarHBondContact CB-OG1 3.41Å; S550-T562 PolarHBondContact OG-N 2.92Å; S550-T562 PolarHBondContact OG-OG1 2.89Å; S550-T565 PolarHBondContact N-OG1 2.83Å; S550-T565 PolarHBondContact OG-OG1 2.85Å
551	E	94	Very high	95	Very high	62 Å²	62	43.5 Å²	43.5	29%	0.29	23%	0.227	S	C	.	.	S	Bend	trans	-133.2	154.9	-178.6	-65.9	-179.7	-107	0	0	110.5	M549 K554 Y560 G561 M587	M549-E551 PolarHBondContact O-N 2.73Å; E551-K554 WeakPolarHBondContact OE2-CE 3.42Å; E551-K554 IonicContact OE2-NZ 3.86Å; E551-K554 PolarHBondContact OE2-NZ 3.35Å; E551-Y560 HydrophobicContact CB-CD2 4.05Å; E551-Y560 HydrophobicContact CB-CE2 3.85Å; E551-Y560 HydrophobicContact CG-CD2 4.48Å; E551-Y560 WeakPolarHBondContact OE1-CD2 3.45Å; E551-G561 VanDerWaalsContact OE1-CA 3.25Å; E551-G561 WeakPolarHBondContact OE1-CA 3.27Å; E551-G561 PolarHBondContact OE1-N 3.19Å; E551-M587 HydrophobicContact CB-CE 4.16Å
552	T	95.5	Very high	95.1	Very high	19 Å²	19	39.3 Å²	39.3	12%	0.117	21%	0.21	C	C	.	.			trans	-57.9	159.6	175	-164.4	0	0	0	0	114.8	C526 V529 K554 Y560	C526-T552 VanDerWaalsContact CB-OG1 3.24Å; C526-T552 WeakPolarHBondContact CB-OG1 3.23Å; C526-T552 WeakPolarHBondContact O-CG2 3.31Å; C526-T552 PolarHBondContact O-OG1 3.38Å; V529-T552 WeakPolarHBondContact O-CB 3.46Å; V529-T552 WeakPolarHBondContact O-CG2 3.37Å; T552-K554 PolarHBondContact O-N 3.43Å; T552-Y560 WeakPolarHBondContact O-CE2 3.3Å; T552-Y560 PolarHBondContact O-OH 2.83Å
553	M	96.7	Very high	95.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.21	C	C	.	.			trans	-74.6	121.5	-179.5	-70.8	-178.6	59.3	0	0	112.4	L519 V522 Y523 C526 M549 Y560 F594 F607 F689 L691	L519-M553 HydrophobicContact CD1-CE 3.64Å; V522-M553 HydrophobicContact CG1-CB 4.18Å; V522-M553 HydrophobicContact CG1-CE 3.64Å; V522-M553 HydrophobicContact CG1-SD 3.68Å; Y523-M553 HydrophobicContact CD1-CB 4.42Å; Y523-M553 HydrophobicContact CE1-CB 4.43Å; C526-M553 HydrophobicContact CB-CB 4.31Å; C526-M553 VanDerWaalsContact CB-O 3.29Å; C526-M553 WeakPolarHBondContact CB-O 3.37Å; M549-M553 HydrophobicContact CE-CG 3.62Å; M549-M553 HydrophobicContact CE-SD 4.01Å; M549-M553 HydrophobicContact SD-CG 4Å; M553-Y560 WeakPolarHBondContact CA-OH 3.35Å; M553-F594 HydrophobicContact CB-CE2 4Å; M553-F594 HydrophobicContact CB-CZ 4.22Å; M553-F594 HydrophobicContact CE-CB 4.11Å; M553-F594 HydrophobicContact CE-CD1 3.92Å; M553-F594 HydrophobicContact CE-CD2 3.64Å; M553-F594 HydrophobicContact CE-CE1 4.22Å; M553-F594 HydrophobicContact CE-CE2 4Å; M553-F594 HydrophobicContact CE-CG 3.63Å; M553-F594 HydrophobicContact CE-CZ 4.27Å; M553-F594 HydrophobicContact CG-CE1 4.18Å; M553-F594 HydrophobicContact CG-CE2 3.98Å; M553-F594 HydrophobicContact CG-CZ 3.75Å; M553-F607 HydrophobicContact CE-CE2 3.87Å; M553-F607 HydrophobicContact CE-CZ 3.64Å; M553-F607 HydrophobicContact SD-CZ 4.5Å; M553-F689 HydrophobicContact CE-CZ 4.43Å; M553-F689 HydrophobicContact SD-CZ 4.37Å; M553-L691 HydrophobicContact SD-CD1 3.61Å; M553-L691 HydrophobicContact SD-CD2 3.66Å; M553-L691 HydrophobicContact SD-CG 4.27Å
554	K	95.8	Very high	95	Very high	84 Å²	84	42.6 Å²	42.6	37%	0.365	22%	0.224	S	C	.	.			trans	-146.7	146.6	-179.7	59.4	-169	168.7	-167.4	0	113.6	E551 T552 S556 Y560 G589	E551-K554 WeakPolarHBondContact OE2-CE 3.42Å; E551-K554 IonicContact OE2-NZ 3.86Å; E551-K554 PolarHBondContact OE2-NZ 3.35Å; T552-K554 PolarHBondContact O-N 3.43Å; K554-S556 PolarHBondContact O-N 3.11Å; K554-S556 PolarHBondContact O-OG 2.95Å; K554-Y560 HydrophobicContact CD-CE2 4.33Å; K554-Y560 VanDerWaalsContact CE-CD2 3.44Å; K554-Y560 VanDerWaalsContact CE-CE2 3.45Å; K554-Y560 HydrophobicContact CG-CE1 4.05Å; K554-Y560 HydrophobicContact CG-CE2 4Å; K554-Y560 PolarHBondContact N-OH 3.08Å; K554-G589 WeakPolarHBondContact O-CA 3.29Å; K554-G589 PolarHBondContact O-N 2.88Å
555	C	95.9	Very high	95	Very high	72 Å²	72	41.8 Å²	41.8	49%	0.486	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-58.3	128.8	167.5	-78.2	0	0	0	0	110.7	Y523 G589	Y523-C555 WeakPolarHBondContact CE2-SG 3.18Å; C555-G589 WeakPolarHBondContact CA-O 3.38Å
556	S	95	Very high	94.9	Very high	29 Å²	29	42.2 Å²	42.2	20%	0.203	22%	0.221	C	C	.	.			trans	-149.2	134	-173.9	41.6	0	0	0	0	111.7	K554 H558 Y560 R588 G589	K554-S556 PolarHBondContact O-N 3.11Å; K554-S556 PolarHBondContact O-OG 2.95Å; S556-H558 VanDerWaalsContact C-N 3.32Å; S556-H558 WeakPolarHBondContact CB-O 3.41Å; S556-H558 PolarHBondContact OG-O 3.16Å; S556-Y560 VanDerWaalsContact OG-CD1 3.23Å; S556-Y560 WeakPolarHBondContact OG-CD1 3.26Å; S556-Y560 VanDerWaalsContact OG-CE1 3.28Å; S556-Y560 WeakPolarHBondContact OG-CE1 3.48Å; S556-R588 WeakPolarHBondContact O-CG 3.38Å; S556-G589 PolarHBondContact N-O 2.89Å; S556-G589 PolarHBondContact OG-N 2.88Å; S556-G589 VanDerWaalsContact OG-N 3.11Å
557	K	93.3	Very high	94.9	Very high	179 Å²	179	42.2 Å²	42.2	78%	0.778	22%	0.221	S	C	*	.	S	Bend	trans	-69.2	-33.6	177.8	-174.7	178.7	177.8	-177.8	0	112.1
558	H	94.2	Very high	94.9	Very high	131 Å²	131	42.2 Å²	42.2	61%	0.606	22%	0.221	S	C	*	.	S	Bend	trans	-119.6	165.6	-178.4	-58.2	-77.7	0	0	0	109.9	S556	S556-H558 VanDerWaalsContact C-N 3.32Å; S556-H558 WeakPolarHBondContact CB-O 3.41Å; S556-H558 PolarHBondContact OG-O 3.16Å
559	F	95.1	Very high	94.8	Very high	70 Å²	70	42.7 Å²	42.7	31%	0.307	22%	0.223	S	C	.	.			trans	-65.9	148.9	171.1	-71.8	-92.7	0	0	0	111	F585 M587 R588	F559-F585 HydrophobicContact CB-CD1 4.26Å; F559-F585 VanDerWaalsContact CD1-C 3.44Å; F559-F585 HydrophobicContact CD1-CB 3.79Å; F559-F585 WeakPolarHBondContact CD1-O 3.37Å; F559-F585 HydrophobicContact CD2-CB 4.05Å; F559-F585 AromaticContact CD2-CD1 3.65Å; F559-F585 HydrophobicContact CD2-CD1 3.65Å; F559-F585 HydrophobicContact CD2-CE1 4.45Å; F559-F585 HydrophobicContact CD2-CG 4.08Å; F559-F585 HydrophobicContact CE1-CB 3.93Å; F559-F585 HydrophobicContact CE2-CB 4.18Å; F559-F585 HydrophobicContact CE2-CD1 4.18Å; F559-F585 HydrophobicContact CE2-CG 4.24Å; F559-F585 HydrophobicContact CG-CB 3.87Å; F559-F585 AromaticContact CG-CD1 3.99Å; F559-F585 HydrophobicContact CG-CD1 3.99Å; F559-F585 HydrophobicContact CG-CG 4.31Å; F559-F585 HydrophobicContact CZ-CB 4.13Å; F559-M587 CarbonylContact C-O 3.44Å; F559-M587 WeakPolarHBondContact CA-O 3.2Å; F559-M587 WeakPolarHBondContact CD1-O 3.17Å; F559-R588 HydrophobicContact CD1-CB 3.74Å; F559-R588 HydrophobicContact CE1-CB 3.85Å; F559-R588 HydrophobicContact CG-CB 4.17Å; F559-R588 HydrophobicContact CZ-CB 4.37Å
560	Y	96.4	Very high	94.7	Very high	27 Å²	27	44.1 Å²	44.1	11%	0.106	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-138.5	175.9	177.8	73.1	-81.9	0	0	0	110.3	E551 T552 M553 K554 S556 F586 M587 F594	E551-Y560 HydrophobicContact CB-CD2 4.05Å; E551-Y560 HydrophobicContact CB-CE2 3.85Å; E551-Y560 HydrophobicContact CG-CD2 4.48Å; E551-Y560 WeakPolarHBondContact OE1-CD2 3.45Å; T552-Y560 WeakPolarHBondContact O-CE2 3.3Å; T552-Y560 PolarHBondContact O-OH 2.83Å; M553-Y560 WeakPolarHBondContact CA-OH 3.35Å; K554-Y560 HydrophobicContact CD-CE2 4.33Å; K554-Y560 VanDerWaalsContact CE-CD2 3.44Å; K554-Y560 VanDerWaalsContact CE-CE2 3.45Å; K554-Y560 HydrophobicContact CG-CE1 4.05Å; K554-Y560 HydrophobicContact CG-CE2 4Å; K554-Y560 PolarHBondContact N-OH 3.08Å; S556-Y560 VanDerWaalsContact OG-CD1 3.23Å; S556-Y560 WeakPolarHBondContact OG-CD1 3.26Å; S556-Y560 VanDerWaalsContact OG-CE1 3.28Å; S556-Y560 WeakPolarHBondContact OG-CE1 3.48Å; Y560-F586 WeakPolarHBondContact O-CB 3.34Å; Y560-M587 HydrophobicContact CD1-CB 4.2Å; Y560-M587 VanDerWaalsContact CD1-O 3.32Å; Y560-M587 WeakPolarHBondContact CD1-O 3.43Å; Y560-M587 HydrophobicContact CD2-CE 4Å; Y560-M587 HydrophobicContact CE1-CB 3.88Å; Y560-M587 HydrophobicContact CE2-CB 4.31Å; Y560-M587 HydrophobicContact CE2-CE 3.78Å; Y560-M587 HydrophobicContact CE2-SD 4.21Å; Y560-M587 PolarHBondContact N-O 2.87Å; Y560-M587 PolarHBondContact O-N 2.85Å; Y560-M587 VanDerWaalsContact O-N 3.08Å; Y560-F594 WeakPolarHBondContact OH-CZ 3.31Å
561	G	93.4	Very high	94.3	Very high	20 Å²	20	48.6 Å²	48.6	21%	0.206	25%	0.247	C	C	.	.			trans	102.8	167	-173.8	0	0	0	0	0	114.6	S550 E551 F586 M587	S550-G561 VanDerWaalsContact OG-CA 3.28Å; S550-G561 WeakPolarHBondContact OG-CA 3.43Å; E551-G561 VanDerWaalsContact OE1-CA 3.25Å; E551-G561 WeakPolarHBondContact OE1-CA 3.27Å; E551-G561 PolarHBondContact OE1-N 3.19Å; G561-F586 VanDerWaalsContact O-CD2 3.26Å; G561-F586 WeakPolarHBondContact O-CD2 3.33Å; G561-M587 VanDerWaalsContact CA-CE 3.47Å
562	T	93.1	Very high	93.9	Very high	56 Å²	56	49.8 Å²	49.8	34%	0.344	26%	0.26	S	S	.	.			trans	-109.8	170.8	177.4	77.7	0	0	0	0	111.1	S550 E564 T565 F586	S550-T562 WeakPolarHBondContact CB-OG1 3.41Å; S550-T562 PolarHBondContact OG-N 2.92Å; S550-T562 PolarHBondContact OG-OG1 2.89Å; T562-E564 PolarHBondContact O-N 2.81Å; T562-E564 WeakPolarHBondContact OG1-CB 3.46Å; T562-E564 PolarHBondContact OG1-N 3.12Å; T562-E564 PolarHBondContact OG1-OE2 3.08Å; T562-T565 WeakPolarHBondContact O-CB 3.47Å; T562-T565 PolarHBondContact O-N 2.91Å; T562-T565 PolarHBondContact O-OG1 2.81Å; T562-F586 WeakPolarHBondContact O-CD1 3.45Å
563	G	93.1	Very high	93.5	Very high	31 Å²	31	53.2 Å²	53.2	32%	0.32	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-1.1	172.4	0	0	0	0	0	115.9	T565	G563-T565 VanDerWaalsContact C-N 3.3Å
564	E	91	Very high	93.3	Very high	86 Å²	86	54.5 Å²	54.5	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.2	169.8	-62.1	151.8	129	0	0	111.8	H500 W501 T562 F566	H500-E564 IonicContact CE1-OE1 3.57Å; H500-E564 PolarHBondContact CE1-OE1 2.92Å; H500-E564 IonicContact NE2-OE1 3.56Å; W501-E564 HydrophobicContact CH2-CB 4.17Å; T562-E564 PolarHBondContact O-N 2.81Å; T562-E564 WeakPolarHBondContact OG1-CB 3.46Å; T562-E564 PolarHBondContact OG1-N 3.12Å; T562-E564 PolarHBondContact OG1-OE2 3.08Å; E564-F566 WeakPolarHBondContact O-CD1 3.25Å
565	T	94.7	Very high	93.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.			trans	-65.9	131.8	168.2	-53.8	0	0	0	0	109.7	V548 S550 T562 G563 F586 M587 F622	V548-T565 VanDerWaalsContact O-CA 3.27Å; V548-T565 WeakPolarHBondContact O-CA 3.46Å; V548-T565 WeakPolarHBondContact O-CG2 3.37Å; S550-T565 PolarHBondContact N-OG1 2.83Å; S550-T565 PolarHBondContact OG-OG1 2.85Å; T562-T565 WeakPolarHBondContact O-CB 3.47Å; T562-T565 PolarHBondContact O-N 2.91Å; T562-T565 PolarHBondContact O-OG1 2.81Å; G563-T565 VanDerWaalsContact C-N 3.3Å; T565-F586 HydrophobicContact CG2-CB 4.17Å; T565-M587 HydrophobicContact CG2-CG 4.28Å; T565-F622 HydrophobicContact CG2-CE1 4.45Å; T565-F622 HydrophobicContact CG2-CZ 3.9Å; T565-F622 VanDerWaalsContact O-CE1 3.25Å; T565-F622 WeakPolarHBondContact O-CE1 3.44Å
566	F	95.7	Very high	93.1	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.8	174.2	66.4	-97.1	0	0	0	111.7	F497 P498 W501 A547 V548 E564 F568 K576 Y577	F497-F566 HydrophobicContact CD1-CZ 4.38Å; P498-F566 HydrophobicContact CG-CE1 4.22Å; W501-F566 AromaticContact CZ3-CE1 3.93Å; W501-F566 HydrophobicContact CZ3-CE1 3.93Å; A547-F566 CarbonylContact C-O 3.55Å; A547-F566 WeakPolarHBondContact CA-O 3.26Å; A547-F566 WeakPolarHBondContact CB-O 3.49Å; V548-F566 HydrophobicContact CB-CD1 4.33Å; V548-F566 HydrophobicContact CB-CE1 3.91Å; V548-F566 HydrophobicContact CB-CE2 4.49Å; V548-F566 HydrophobicContact CB-CZ 4.01Å; V548-F566 HydrophobicContact CG2-CE1 3.87Å; V548-F566 HydrophobicContact CG2-CE2 3.87Å; V548-F566 HydrophobicContact CG2-CZ 3.44Å; V548-F566 VanDerWaalsContact CG2-CZ 3.44Å; V548-F566 PolarHBondContact N-O 3.16Å; V548-F566 PolarHBondContact O-N 2.93Å; E564-F566 WeakPolarHBondContact O-CD1 3.25Å; F566-F568 HydrophobicContact CD2-CD1 4.17Å; F566-F568 AromaticContact CE2-CD1 3.87Å; F566-F568 HydrophobicContact CE2-CD1 3.87Å; F566-K576 HydrophobicContact CD2-CB 3.97Å; F566-K576 HydrophobicContact CE2-CB 4.06Å; F566-Y577 WeakPolarHBondContact CB-O 3.31Å
567	V	97.5	Very high	93.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	158.5	175.5	-59.9	0	0	0	0	111.6	G546 A547 K576 Y577 I596 A604 I605 F622 N624 L627	G546-V567 WeakPolarHBondContact O-CA 3.5Å; A547-V567 HydrophobicContact CB-CG1 3.97Å; V567-K576 CarbonylContact O-C 3.55Å; V567-Y577 HydrophobicContact CG2-CD2 4.41Å; V567-Y577 HydrophobicContact CG2-CG 4.45Å; V567-Y577 PolarHBondContact N-O 2.77Å; V567-Y577 PolarHBondContact O-N 2.94Å; V567-I596 HydrophobicContact CG1-CG2 3.86Å; V567-A604 HydrophobicContact CG1-CB 4.19Å; V567-A604 HydrophobicContact CG2-CB 4.41Å; V567-I605 HydrophobicContact CG1-CD1 4.46Å; V567-F622 HydrophobicContact CB-CD2 4.44Å; V567-F622 HydrophobicContact CG1-CD2 3.79Å; V567-F622 HydrophobicContact CG1-CE2 3.77Å; V567-F622 HydrophobicContact CG2-CB 3.98Å; V567-F622 HydrophobicContact CG2-CD2 3.85Å; V567-F622 HydrophobicContact CG2-CG 4.05Å; V567-N624 HydrophobicContact CG2-CB 3.81Å; V567-L627 HydrophobicContact CB-CD1 3.79Å; V567-L627 HydrophobicContact CG1-CD1 4.41Å; V567-L627 HydrophobicContact CG2-CD1 3.91Å; V567-L627 HydrophobicContact CG2-CD2 4.39Å
568	F	96.4	Very high	93.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162.7	179.9	55.4	-103.2	0	0	0	112.6	L534 L536 F545 G546 A547 V548 F566 W570 F574 K575	L534-F568 HydrophobicContact CD1-CE1 3.69Å; L534-F568 HydrophobicContact CD1-CZ 3.51Å; L536-F568 HydrophobicContact CD2-CE2 4.01Å; L536-F568 HydrophobicContact CD2-CZ 3.96Å; F545-F568 WeakPolarHBondContact CA-O 3.41Å; F545-F568 VanDerWaalsContact CB-O 3.3Å; F545-F568 WeakPolarHBondContact CB-O 3.44Å; G546-F568 VanDerWaalsContact C-CZ 3.47Å; G546-F568 VanDerWaalsContact CA-CE2 3.46Å; G546-F568 VanDerWaalsContact N-CE2 3.34Å; G546-F568 PolarHBondContact N-O 3.47Å; G546-F568 PolarHBondContact O-N 3Å; A547-F568 VanDerWaalsContact C-CE1 3.43Å; V548-F568 HydrophobicContact CG2-CE1 4.05Å; F566-F568 HydrophobicContact CD2-CD1 4.17Å; F566-F568 AromaticContact CE2-CD1 3.87Å; F566-F568 HydrophobicContact CE2-CD1 3.87Å; F568-W570 HydrophobicContact CD2-CE3 4.15Å; F568-W570 HydrophobicContact CD2-CH2 4.44Å; F568-W570 AromaticContact CD2-CZ3 3.74Å; F568-W570 HydrophobicContact CD2-CZ3 3.74Å; F568-W570 HydrophobicContact CE2-CE3 4.23Å; F568-W570 HydrophobicContact CE2-CH2 4.23Å; F568-W570 AromaticContact CE2-CZ3 3.49Å; F568-W570 HydrophobicContact CE2-CZ3 3.49Å; F568-W570 VanDerWaalsContact CE2-CZ3 3.49Å; F568-W570 HydrophobicContact CZ-CZ3 4.44Å; F568-F574 HydrophobicContact CB-CE2 3.83Å; F568-F574 HydrophobicContact CB-CZ 3.86Å; F568-F574 HydrophobicContact CD2-CE2 4.14Å; F568-F574 HydrophobicContact CG-CE2 4.01Å; F568-F574 HydrophobicContact CG-CZ 4.25Å; F568-K575 WeakPolarHBondContact CA-O 3.39Å; F568-K575 WeakPolarHBondContact CB-O 3.15Å
569	H	95.1	Very high	93.3	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.046	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.9	168.1	64	48.8	0	0	0	110.9	F545 K571 T573 F574 K575 Y577 L627	F545-H569 HydrophobicContact CB-CB 4.01Å; H569-K571 PolarHBondContact CE1-N 3.12Å; H569-K571 PolarHBondContact CE1-O 2.88Å; H569-K571 PolarHBondContact ND1-O 2.92Å; H569-T573 PolarHBondContact CE1-O 2.84Å; H569-T573 PolarHBondContact ND1-O 2.7Å; H569-T573 PolarHBondContact NE2-O 2.81Å; H569-F574 CarbonylContact O-C 3.54Å; H569-F574 VanDerWaalsContact O-CA 3.32Å; H569-F574 WeakPolarHBondContact O-CA 3.46Å; H569-K575 PolarHBondContact N-O 3.17Å; H569-K575 WeakPolarHBondContact NE2-CB 3.28Å; H569-K575 PolarHBondContact O-N 3.41Å; H569-Y577 AromaticContact CD2-CE2 3.7Å; H569-L627 HydrophobicContact CB-CB 4.47Å; H569-L627 HydrophobicContact CB-CD2 4.34Å
570	W	92.7	Very high	93.4	Very high	30 Å²	30	44.9 Å²	44.9	11%	0.114	24%	0.241	C	C	.	.			trans	-100	-16	175.8	-98.5	-80.7	0	0	0	116.2	L485 M489 D492 L493 L536 V544 F568 T573 F574	L485-W570 HydrophobicContact CD2-CH2 4.4Å; M489-W570 HydrophobicContact CB-CH2 4.3Å; M489-W570 HydrophobicContact CB-CZ2 3.63Å; M489-W570 HydrophobicContact CE-CD2 3.65Å; M489-W570 HydrophobicContact CE-CE3 3.66Å; M489-W570 HydrophobicContact CE-CG 4.22Å; M489-W570 HydrophobicContact CE-CH2 4.11Å; M489-W570 HydrophobicContact CE-CZ2 4.14Å; M489-W570 HydrophobicContact CE-CZ3 3.87Å; M489-W570 HydrophobicContact CG-CD2 4.37Å; M489-W570 HydrophobicContact CG-CZ2 4.08Å; M489-W570 WeakPolarHBondContact O-CZ2 3.38Å; D492-W570 HydrophobicContact CB-CZ2 4.09Å; D492-W570 PolarHBondContact OD2-NE1 3.03Å; L493-W570 HydrophobicContact CD1-CH2 4.01Å; L493-W570 HydrophobicContact CD2-CH2 3.9Å; L493-W570 HydrophobicContact CD2-CZ2 4.42Å; L493-W570 HydrophobicContact CG-CH2 3.74Å; L493-W570 HydrophobicContact CG-CZ2 3.97Å; L536-W570 HydrophobicContact CD2-CZ3 4.07Å; V544-W570 HydrophobicContact CB-CE3 4.26Å; V544-W570 HydrophobicContact CG1-CE3 3.86Å; V544-W570 HydrophobicContact CG1-CZ3 4.17Å; V544-W570 PolarHBondContact O-N 2.8Å; F568-W570 HydrophobicContact CD2-CE3 4.15Å; F568-W570 HydrophobicContact CD2-CH2 4.44Å; F568-W570 AromaticContact CD2-CZ3 3.74Å; F568-W570 HydrophobicContact CD2-CZ3 3.74Å; F568-W570 HydrophobicContact CE2-CE3 4.23Å; F568-W570 HydrophobicContact CE2-CH2 4.23Å; F568-W570 AromaticContact CE2-CZ3 3.49Å; F568-W570 HydrophobicContact CE2-CZ3 3.49Å; F568-W570 VanDerWaalsContact CE2-CZ3 3.49Å; F568-W570 HydrophobicContact CZ-CZ3 4.44Å; W570-T573 CarbonylContact C-O 3.57Å; W570-T573 VanDerWaalsContact C-O 3.31Å; W570-T573 CarbonylContact O-C 3.55Å; W570-T573 VanDerWaalsContact O-CA 3.31Å; W570-T573 WeakPolarHBondContact O-CA 3.35Å; W570-T573 PolarHBondContact O-N 3.07Å; W570-F574 AromaticContact CD2-CD2 3.78Å; W570-F574 HydrophobicContact CD2-CD2 3.78Å; W570-F574 HydrophobicContact CD2-CE2 4.35Å; W570-F574 AromaticContact CE2-CD2 3.4Å; W570-F574 VanDerWaalsContact CE2-CD2 3.4Å; W570-F574 AromaticContact CE2-CE2 3.99Å; W570-F574 HydrophobicContact CE3-CD2 4.33Å; W570-F574 HydrophobicContact CE3-CE2 4.5Å; W570-F574 HydrophobicContact CG-CD2 4.19Å; W570-F574 HydrophobicContact CH2-CD2 4.26Å; W570-F574 HydrophobicContact CH2-CE2 4Å; W570-F574 AromaticContact CZ2-CD2 3.66Å; W570-F574 HydrophobicContact CZ2-CD2 3.66Å; W570-F574 AromaticContact CZ2-CE2 3.79Å; W570-F574 HydrophobicContact CZ2-CE2 3.79Å; W570-F574 HydrophobicContact CZ3-CE2 4.36Å; W570-F574 AromaticContact NE1-CD2 3.59Å
571	K	86.7	Confident	93.3	Very high	105 Å²	105	51.1 Å²	51.1	46%	0.457	27%	0.268	S	S	.	.	S	Bend	trans	-112.9	131.8	179.5	-70.1	178.1	174.5	169.4	0	109.9	G542 V543 H569	G542-K571 PolarHBondContact O-NZ 2.89Å; V543-K571 HydrophobicContact CG1-CB 4.28Å; V543-K571 HydrophobicContact CG1-CD 4.32Å; V543-K571 HydrophobicContact CG2-CD 4.28Å; H569-K571 PolarHBondContact CE1-N 3.12Å; H569-K571 PolarHBondContact CE1-O 2.88Å; H569-K571 PolarHBondContact ND1-O 2.92Å
572	P	84.8	Confident	93.3	Very high	86 Å²	86	55.7 Å²	55.7	56%	0.558	28%	0.282	S	S	*	.	S	Bend	cis	-79.4	-19.6	6.8	33.4	-34.4	0	0	0	113.8	L631	P572-L631 HydrophobicContact CB-CD2 4.26Å; P572-L631 HydrophobicContact CG-CD2 3.97Å
573	T	87	Confident	93.4	Very high	92 Å²	92	53.6 Å²	53.6	56%	0.564	27%	0.269	S	S	*	.	S	Bend	trans	-140.1	166.4	171.3	62.7	0	0	0	0	108.7	H569 W570 K575	H569-T573 PolarHBondContact CE1-O 2.84Å; H569-T573 PolarHBondContact ND1-O 2.7Å; H569-T573 PolarHBondContact NE2-O 2.81Å; W570-T573 CarbonylContact C-O 3.57Å; W570-T573 VanDerWaalsContact C-O 3.31Å; W570-T573 CarbonylContact O-C 3.55Å; W570-T573 VanDerWaalsContact O-CA 3.31Å; W570-T573 WeakPolarHBondContact O-CA 3.35Å; W570-T573 PolarHBondContact O-N 3.07Å; T573-K575 PolarHBondContact O-N 3.16Å
574	F	92	Very high	93.5	Very high	28 Å²	28	59.8 Å²	59.8	12%	0.123	28%	0.284	C	S	.	.			trans	-57.2	134.7	166.9	-174.5	-94.9	0	0	0	110.6	D492 N496 F568 H569 W570 K576	D492-F574 HydrophobicContact CB-CB 4.22Å; D492-F574 HydrophobicContact CB-CD2 4.22Å; D492-F574 HydrophobicContact CB-CG 4.05Å; N496-F574 HydrophobicContact CB-CD1 4.29Å; N496-F574 HydrophobicContact CB-CE1 3.47Å; N496-F574 VanDerWaalsContact CB-CE1 3.47Å; N496-F574 HydrophobicContact CB-CZ 4.08Å; F568-F574 HydrophobicContact CB-CE2 3.83Å; F568-F574 HydrophobicContact CB-CZ 3.86Å; F568-F574 HydrophobicContact CD2-CE2 4.14Å; F568-F574 HydrophobicContact CG-CE2 4.01Å; F568-F574 HydrophobicContact CG-CZ 4.25Å; H569-F574 CarbonylContact O-C 3.54Å; H569-F574 VanDerWaalsContact O-CA 3.32Å; H569-F574 WeakPolarHBondContact O-CA 3.46Å; W570-F574 AromaticContact CD2-CD2 3.78Å; W570-F574 HydrophobicContact CD2-CD2 3.78Å; W570-F574 HydrophobicContact CD2-CE2 4.35Å; W570-F574 AromaticContact CE2-CD2 3.4Å; W570-F574 VanDerWaalsContact CE2-CD2 3.4Å; W570-F574 AromaticContact CE2-CE2 3.99Å; W570-F574 HydrophobicContact CE3-CD2 4.33Å; W570-F574 HydrophobicContact CE3-CE2 4.5Å; W570-F574 HydrophobicContact CG-CD2 4.19Å; W570-F574 HydrophobicContact CH2-CD2 4.26Å; W570-F574 HydrophobicContact CH2-CE2 4Å; W570-F574 AromaticContact CZ2-CD2 3.66Å; W570-F574 HydrophobicContact CZ2-CD2 3.66Å; W570-F574 AromaticContact CZ2-CE2 3.79Å; W570-F574 HydrophobicContact CZ2-CE2 3.79Å; W570-F574 HydrophobicContact CZ3-CE2 4.36Å; W570-F574 AromaticContact NE1-CD2 3.59Å; F574-K576 HydrophobicContact CE1-CB 4.18Å; F574-K576 HydrophobicContact CE1-CG 4.47Å; F574-K576 HydrophobicContact CZ-CB 4.37Å
575	K	93.5	Very high	93.7	Very high	102 Å²	102	59.9 Å²	59.9	44%	0.443	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	128.1	169.8	-173	167.7	162.2	-147.8	0	111.2	F568 H569 T573 Y577	F568-K575 WeakPolarHBondContact CA-O 3.39Å; F568-K575 WeakPolarHBondContact CB-O 3.15Å; H569-K575 PolarHBondContact N-O 3.17Å; H569-K575 WeakPolarHBondContact NE2-CB 3.28Å; H569-K575 PolarHBondContact O-N 3.41Å; T573-K575 PolarHBondContact O-N 3.16Å; K575-Y577 HydrophobicContact CB-CE2 4.15Å; K575-Y577 HydrophobicContact CD-CE1 4.11Å; K575-Y577 HydrophobicContact CD-CE2 4.37Å; K575-Y577 VanDerWaalsContact CD-OH 3.27Å; K575-Y577 WeakPolarHBondContact CD-OH 3.27Å; K575-Y577 VanDerWaalsContact CE-CE1 3.41Å; K575-Y577 WeakPolarHBondContact CE-OH 3.36Å; K575-Y577 HydrophobicContact CG-CE1 4.29Å; K575-Y577 HydrophobicContact CG-CE2 3.95Å; K575-Y577 VanDerWaalsContact NZ-CE1 3.35Å; K575-Y577 PolarHBondContact NZ-OH 2.95Å; K575-Y577 WeakPolarHBondContact O-CE2 3.43Å
576	K	94.3	Very high	93.8	Very high	73 Å²	73	60.1 Å²	60.1	32%	0.317	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	151.3	171.1	58.1	172.8	168	-176.2	0	112.4	N496 F566 V567 F574	N496-K576 HydrophobicContact CB-CD 4.07Å; N496-K576 WeakPolarHBondContact O-CD 3.41Å; N496-K576 WeakPolarHBondContact O-CE 3.49Å; N496-K576 PolarHBondContact O-NZ 2.89Å; N496-K576 VanDerWaalsContact OD1-CE 3.27Å; N496-K576 WeakPolarHBondContact OD1-CE 3.09Å; F566-K576 HydrophobicContact CD2-CB 3.97Å; F566-K576 HydrophobicContact CE2-CB 4.06Å; V567-K576 CarbonylContact O-C 3.55Å; F574-K576 HydrophobicContact CE1-CB 4.18Å; F574-K576 HydrophobicContact CE1-CG 4.47Å; F574-K576 HydrophobicContact CZ-CB 4.37Å
577	Y	96.1	Very high	93.9	Very high	17 Å²	17	59.7 Å²	59.7	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	91.5	-178.5	-62.2	-85.5	0	0	0	108.8	F566 V567 H569 K575 N624 P625 L627	F566-Y577 WeakPolarHBondContact CB-O 3.31Å; V567-Y577 HydrophobicContact CG2-CD2 4.41Å; V567-Y577 HydrophobicContact CG2-CG 4.45Å; V567-Y577 PolarHBondContact N-O 2.77Å; V567-Y577 PolarHBondContact O-N 2.94Å; H569-Y577 AromaticContact CD2-CE2 3.7Å; K575-Y577 HydrophobicContact CB-CE2 4.15Å; K575-Y577 HydrophobicContact CD-CE1 4.11Å; K575-Y577 HydrophobicContact CD-CE2 4.37Å; K575-Y577 VanDerWaalsContact CD-OH 3.27Å; K575-Y577 WeakPolarHBondContact CD-OH 3.27Å; K575-Y577 VanDerWaalsContact CE-CE1 3.41Å; K575-Y577 WeakPolarHBondContact CE-OH 3.36Å; K575-Y577 HydrophobicContact CG-CE1 4.29Å; K575-Y577 HydrophobicContact CG-CE2 3.95Å; K575-Y577 VanDerWaalsContact NZ-CE1 3.35Å; K575-Y577 PolarHBondContact NZ-OH 2.95Å; K575-Y577 WeakPolarHBondContact O-CE2 3.43Å; Y577-N624 HydrophobicContact CD1-CB 4.18Å; Y577-N624 HydrophobicContact CD2-CB 4.35Å; Y577-N624 HydrophobicContact CG-CB 3.96Å; Y577-P625 HydrophobicContact CE1-CG 4.24Å; Y577-P625 HydrophobicContact CE2-CG 4.45Å; Y577-P625 VanDerWaalsContact OH-CD 3.31Å; Y577-P625 WeakPolarHBondContact OH-CD 3.41Å; Y577-P625 WeakPolarHBondContact OH-CG 3.47Å; Y577-L627 HydrophobicContact CD2-CD2 4.19Å; Y577-L627 HydrophobicContact CE2-CD2 4.13Å
578	C	95.7	Very high	93.9	Very high	68 Å²	68	63.4 Å²	63.4	46%	0.459	30%	0.296	S	S	.	.			trans	-77.6	166	-177.2	-58	0	0	0	0	112.3	T580	C578-T580 PolarHBondContact O-N 3.01Å
579	W	96.2	Very high	93.9	Very high	61 Å²	61	63.4 Å²	63.4	23%	0.231	30%	0.297	C	S	.	.			trans	-55.7	125.6	178.8	178.1	45.9	0	0	0	114.1	K581 N583 Y584 F586 T621	W579-K581 HydrophobicContact CD2-CG 3.96Å; W579-K581 VanDerWaalsContact CE2-CA 3.48Å; W579-K581 HydrophobicContact CE3-CG 3.84Å; W579-K581 HydrophobicContact CH2-CB 4.44Å; W579-K581 HydrophobicContact CH2-CG 4.03Å; W579-K581 HydrophobicContact CZ2-CB 4.18Å; W579-K581 HydrophobicContact CZ2-CG 4.13Å; W579-K581 HydrophobicContact CZ3-CG 3.88Å; W579-N583 PolarHBondContact NE1-O 2.91Å; W579-Y584 HydrophobicContact CH2-CD1 4.29Å; W579-Y584 AromaticContact CH2-CE1 3.65Å; W579-Y584 HydrophobicContact CH2-CE1 3.65Å; W579-Y584 AromaticContact CZ2-CD1 3.76Å; W579-Y584 HydrophobicContact CZ2-CD1 3.76Å; W579-Y584 AromaticContact CZ2-CE1 3.44Å; W579-Y584 HydrophobicContact CZ2-CE1 3.44Å; W579-Y584 VanDerWaalsContact CZ2-CE1 3.44Å; W579-Y584 AromaticContact CZ2-CZ 3.97Å; W579-F586 HydrophobicContact CB-CE1 4.04Å; W579-F586 AromaticContact CD1-CE1 3.36Å; W579-F586 AromaticContact CD1-CZ 3.86Å; W579-F586 AromaticContact CD2-CE1 3.91Å; W579-F586 HydrophobicContact CD2-CE1 3.91Å; W579-F586 AromaticContact CD2-CZ 3.88Å; W579-F586 HydrophobicContact CD2-CZ 3.88Å; W579-F586 AromaticContact CE2-CE1 3.96Å; W579-F586 AromaticContact CE2-CZ 3.63Å; W579-F586 AromaticContact CG-CE1 3.53Å; W579-F586 HydrophobicContact CG-CE1 3.53Å; W579-F586 HydrophobicContact CG-CZ 4.01Å; W579-F586 HydrophobicContact CZ2-CZ 4.13Å; W579-F586 AromaticContact NE1-CE1 3.61Å; W579-F586 AromaticContact NE1-CZ 3.6Å; W579-T621 WeakPolarHBondContact CA-O 3.35Å
580	T	95.4	Very high	93.9	Very high	43 Å²	43	64.4 Å²	64.4	26%	0.264	31%	0.305	S	S	.	.			trans	-78.6	-14.6	-178.1	62.3	0	0	0	0	115	C578 K582 D620 T621 F622 D623	C578-T580 PolarHBondContact O-N 3.01Å; T580-K582 PolarHBondContact O-N 2.59Å; T580-K582 WeakPolarHBondContact OG1-CB 3.48Å; T580-K582 WeakPolarHBondContact OG1-CG 3.42Å; T580-K582 PolarHBondContact OG1-N 3.03Å; T580-D620 WeakPolarHBondContact CB-O 3.46Å; T580-D620 VanDerWaalsContact CG2-O 3.29Å; T580-D620 WeakPolarHBondContact CG2-O 3.38Å; T580-D620 PolarHBondContact OG1-O 3.09Å; T580-T621 PolarHBondContact N-O 3.42Å; T580-T621 PolarHBondContact OG1-O 3.08Å; T580-F622 VanDerWaalsContact CG2-C 3.45Å; T580-D623 HydrophobicContact CG2-CB 3.76Å
581	K	95.2	Very high	94	Very high	158 Å²	158	67.3 Å²	67.3	69%	0.687	32%	0.322	S	S	*	.	S	Bend	trans	67.2	10.2	-166.9	-48.2	177.7	-176.3	177.2	0	115.3	W579	W579-K581 HydrophobicContact CD2-CG 3.96Å; W579-K581 VanDerWaalsContact CE2-CA 3.48Å; W579-K581 HydrophobicContact CE3-CG 3.84Å; W579-K581 HydrophobicContact CH2-CB 4.44Å; W579-K581 HydrophobicContact CH2-CG 4.03Å; W579-K581 HydrophobicContact CZ2-CB 4.18Å; W579-K581 HydrophobicContact CZ2-CG 4.13Å; W579-K581 HydrophobicContact CZ3-CG 3.88Å
582	K	94.3	Very high	94.4	Very high	115 Å²	115	68 Å²	68	50%	0.5	33%	0.327	S	S	.	.	S	Bend	trans	-74.9	-36.1	175.4	-64.8	178.2	-174.6	169.8	0	113.9	T580 D620 D623	T580-K582 PolarHBondContact O-N 2.59Å; T580-K582 WeakPolarHBondContact OG1-CB 3.48Å; T580-K582 WeakPolarHBondContact OG1-CG 3.42Å; T580-K582 PolarHBondContact OG1-N 3.03Å; K582-D620 HydrophobicContact CB-CB 4.22Å; K582-D620 HydrophobicContact CD-CB 3.65Å; K582-D620 WeakPolarHBondContact CD-O 3.25Å; K582-D620 WeakPolarHBondContact CD-OD1 3.13Å; K582-D620 WeakPolarHBondContact CE-OD1 3.25Å; K582-D620 IonicContact NZ-OD1 2.77Å; K582-D620 PolarHBondContact NZ-OD1 2.71Å; K582-D623 IonicContact NZ-OD1 3.95Å; K582-D623 PolarHBondContact NZ-OD1 2.85Å
583	N	93.3	Very high	95	Very high	13 Å²	13	64.5 Å²	64.5	7%	0.07	31%	0.305	C	S	.	.			trans	-149.4	174.4	177.5	77.4	34.3	0	0	0	111	W579 F585 G598 Q599 T621	W579-N583 PolarHBondContact NE1-O 2.91Å; N583-F585 HydrophobicContact CB-CD2 3.82Å; N583-F585 HydrophobicContact CB-CE2 4.02Å; N583-F585 HydrophobicContact CB-CG 4.4Å; N583-F585 VanDerWaalsContact CG-CD2 3.48Å; N583-F585 WeakPolarHBondContact ND2-CD2 3.19Å; N583-F585 PolarHBondContact OD1-N 3.12Å; N583-G598 PolarHBondContact ND2-O 2.82Å; N583-Q599 PolarHBondContact ND2-OE1 2.96Å; N583-Q599 VanDerWaalsContact ND2-OE1 3.08Å; N583-T621 PolarHBondContact ND2-OG1 3.46Å; N583-T621 VanDerWaalsContact ND2-OG1 3.12Å; N583-T621 WeakPolarHBondContact OD1-CB 3.29Å; N583-T621 WeakPolarHBondContact OD1-CG2 3.3Å; N583-T621 PolarHBondContact OD1-OG1 3.14Å
584	Y	95.8	Very high	95.5	Very high	160 Å²	160	60.1 Å²	60.1	63%	0.627	28%	0.278	S	S	*	.			trans	-114.4	25.9	180	-62.5	-93.7	0	0	0	112.8	W579 F586	W579-Y584 HydrophobicContact CH2-CD1 4.29Å; W579-Y584 AromaticContact CH2-CE1 3.65Å; W579-Y584 HydrophobicContact CH2-CE1 3.65Å; W579-Y584 AromaticContact CZ2-CD1 3.76Å; W579-Y584 HydrophobicContact CZ2-CD1 3.76Å; W579-Y584 AromaticContact CZ2-CE1 3.44Å; W579-Y584 HydrophobicContact CZ2-CE1 3.44Å; W579-Y584 VanDerWaalsContact CZ2-CE1 3.44Å; W579-Y584 AromaticContact CZ2-CZ 3.97Å; Y584-F586 VanDerWaalsContact C-N 3.28Å; Y584-F586 HydrophobicContact CD1-CE2 4.11Å; Y584-F586 HydrophobicContact CD1-CZ 4.31Å; Y584-F586 WeakPolarHBondContact O-CD2 3.41Å; Y584-F586 PolarHBondContact O-N 2.88Å; Y584-F586 VanDerWaalsContact O-N 3.11Å
585	F	95.9	Very high	95.8	Very high	88 Å²	88	59.9 Å²	59.9	39%	0.386	28%	0.277	S	S	.	.			trans	-90.3	52.5	-170.7	-56.9	-37.6	0	0	0	112.3	F559 N583 G597 G598	F559-F585 HydrophobicContact CB-CD1 4.26Å; F559-F585 VanDerWaalsContact CD1-C 3.44Å; F559-F585 HydrophobicContact CD1-CB 3.79Å; F559-F585 WeakPolarHBondContact CD1-O 3.37Å; F559-F585 HydrophobicContact CD2-CB 4.05Å; F559-F585 AromaticContact CD2-CD1 3.65Å; F559-F585 HydrophobicContact CD2-CD1 3.65Å; F559-F585 HydrophobicContact CD2-CE1 4.45Å; F559-F585 HydrophobicContact CD2-CG 4.08Å; F559-F585 HydrophobicContact CE1-CB 3.93Å; F559-F585 HydrophobicContact CE2-CB 4.18Å; F559-F585 HydrophobicContact CE2-CD1 4.18Å; F559-F585 HydrophobicContact CE2-CG 4.24Å; F559-F585 HydrophobicContact CG-CB 3.87Å; F559-F585 AromaticContact CG-CD1 3.99Å; F559-F585 HydrophobicContact CG-CD1 3.99Å; F559-F585 HydrophobicContact CG-CG 4.31Å; F559-F585 HydrophobicContact CZ-CB 4.13Å; N583-F585 HydrophobicContact CB-CD2 3.82Å; N583-F585 HydrophobicContact CB-CE2 4.02Å; N583-F585 HydrophobicContact CB-CG 4.4Å; N583-F585 VanDerWaalsContact CG-CD2 3.48Å; N583-F585 WeakPolarHBondContact ND2-CD2 3.19Å; N583-F585 PolarHBondContact OD1-N 3.12Å; F585-G597 CarbonylContact O-C 3.49Å; F585-G597 WeakPolarHBondContact O-CA 3.47Å; F585-G598 WeakPolarHBondContact CB-O 3.28Å; F585-G598 WeakPolarHBondContact CD2-O 3.23Å; F585-G598 PolarHBondContact O-N 2.85Å
586	F	97.1	Very high	96	Very high	5 Å²	5	55 Å²	55	2%	0.022	26%	0.256	C	S	.	.			trans	-64.9	-55	-169.7	-52.4	-77.1	0	0	0	113.9	Y560 G561 T562 T565 W579 Y584 I596 G597 T621 F622	Y560-F586 WeakPolarHBondContact O-CB 3.34Å; G561-F586 VanDerWaalsContact O-CD2 3.26Å; G561-F586 WeakPolarHBondContact O-CD2 3.33Å; T562-F586 WeakPolarHBondContact O-CD1 3.45Å; T565-F586 HydrophobicContact CG2-CB 4.17Å; W579-F586 HydrophobicContact CB-CE1 4.04Å; W579-F586 AromaticContact CD1-CE1 3.36Å; W579-F586 AromaticContact CD1-CZ 3.86Å; W579-F586 AromaticContact CD2-CE1 3.91Å; W579-F586 HydrophobicContact CD2-CE1 3.91Å; W579-F586 AromaticContact CD2-CZ 3.88Å; W579-F586 HydrophobicContact CD2-CZ 3.88Å; W579-F586 AromaticContact CE2-CE1 3.96Å; W579-F586 AromaticContact CE2-CZ 3.63Å; W579-F586 AromaticContact CG-CE1 3.53Å; W579-F586 HydrophobicContact CG-CE1 3.53Å; W579-F586 HydrophobicContact CG-CZ 4.01Å; W579-F586 HydrophobicContact CZ2-CZ 4.13Å; W579-F586 AromaticContact NE1-CE1 3.61Å; W579-F586 AromaticContact NE1-CZ 3.6Å; Y584-F586 VanDerWaalsContact C-N 3.28Å; Y584-F586 HydrophobicContact CD1-CE2 4.11Å; Y584-F586 HydrophobicContact CD1-CZ 4.31Å; Y584-F586 WeakPolarHBondContact O-CD2 3.41Å; Y584-F586 PolarHBondContact O-N 2.88Å; Y584-F586 VanDerWaalsContact O-N 3.11Å; F586-I596 CarbonylContact O-C 3.53Å; F586-I596 WeakPolarHBondContact O-CA 3.49Å; F586-G597 PolarHBondContact O-N 2.88Å; F586-T621 HydrophobicContact CD1-CG2 4.11Å; F586-T621 HydrophobicContact CE1-CG2 4.47Å; F586-F622 HydrophobicContact CD1-CE1 4.21Å; F586-F622 HydrophobicContact CD1-CZ 4.28Å
587	M	97.4	Very high	96.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.7	-175.9	-62.3	177.6	-79.8	0	0	111.9	M549 E551 F559 Y560 G561 T565 F594 H595	M549-M587 HydrophobicContact CB-CE 4.26Å; M549-M587 HydrophobicContact CB-SD 3.42Å; M549-M587 WeakPolarHBondContact CB-SD 3.31Å; M549-M587 HydrophobicContact CG-CG 4.44Å; M549-M587 HydrophobicContact CG-SD 3.48Å; M549-M587 WeakPolarHBondContact CG-SD 3.28Å; M549-M587 HydrophobicContact SD-SD 3.78Å; E551-M587 HydrophobicContact CB-CE 4.16Å; F559-M587 CarbonylContact C-O 3.44Å; F559-M587 WeakPolarHBondContact CA-O 3.2Å; F559-M587 WeakPolarHBondContact CD1-O 3.17Å; Y560-M587 HydrophobicContact CD1-CB 4.2Å; Y560-M587 VanDerWaalsContact CD1-O 3.32Å; Y560-M587 WeakPolarHBondContact CD1-O 3.43Å; Y560-M587 HydrophobicContact CD2-CE 4Å; Y560-M587 HydrophobicContact CE1-CB 3.88Å; Y560-M587 HydrophobicContact CE2-CB 4.31Å; Y560-M587 HydrophobicContact CE2-CE 3.78Å; Y560-M587 HydrophobicContact CE2-SD 4.21Å; Y560-M587 PolarHBondContact N-O 2.87Å; Y560-M587 PolarHBondContact O-N 2.85Å; Y560-M587 VanDerWaalsContact O-N 3.08Å; G561-M587 VanDerWaalsContact CA-CE 3.47Å; T565-M587 HydrophobicContact CG2-CG 4.28Å; M587-F594 HydrophobicContact CB-CZ 4.26Å; M587-H595 CarbonylContact C-O 3.57Å; M587-H595 WeakPolarHBondContact CA-O 3.36Å
588	R	96.9	Very high	95.8	Very high	77 Å²	77	50.9 Å²	50.9	29%	0.291	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	124.4	168.4	-167.2	-175.9	72	129.4	7.8	111.5	S556 F559 H595	S556-R588 WeakPolarHBondContact O-CG 3.38Å; F559-R588 HydrophobicContact CD1-CB 3.74Å; F559-R588 HydrophobicContact CE1-CB 3.85Å; F559-R588 HydrophobicContact CG-CB 4.17Å; F559-R588 HydrophobicContact CZ-CB 4.37Å; R588-H595 HydrophobicContact CB-CB 4.35Å; R588-H595 PolarHBondContact N-O 2.94Å; R588-H595 PolarHBondContact NH2-NE2 3.39Å; R588-H595 WeakPolarHBondContact O-CB 3.47Å; R588-H595 PolarHBondContact O-CD2 2.62Å; R588-H595 PolarHBondContact O-N 3.48Å
589	G	96.6	Very high	95.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.9	174.4	0	0	0	0	0	112.7	Y523 K554 C555 S556	Y523-G589 VanDerWaalsContact OH-CA 3.25Å; Y523-G589 WeakPolarHBondContact OH-CA 3.04Å; K554-G589 WeakPolarHBondContact O-CA 3.29Å; K554-G589 PolarHBondContact O-N 2.88Å; C555-G589 WeakPolarHBondContact CA-O 3.38Å; S556-G589 PolarHBondContact N-O 2.89Å; S556-G589 PolarHBondContact OG-N 2.88Å; S556-G589 VanDerWaalsContact OG-N 3.11Å
590	S	95.6	Very high	94.8	Very high	31 Å²	31	52 Å²	52	22%	0.217	25%	0.253	C	S	.	.			trans	-131.7	167.8	168	74.7	0	0	0	0	110.3	Y523 H592 S593	Y523-S590 WeakPolarHBondContact CE2-O 3.33Å; Y523-S590 PolarHBondContact OH-N 3.11Å; Y523-S590 VanDerWaalsContact OH-N 3.07Å; Y523-S590 PolarHBondContact OH-O 3.29Å; S590-H592 PolarHBondContact O-N 3.45Å; S590-H592 PolarHBondContact OG-N 2.83Å; S590-S593 CarbonylContact C-O 3.58Å; S590-S593 WeakPolarHBondContact CA-O 3.4Å; S590-S593 WeakPolarHBondContact CB-O 3.4Å; S590-S593 PolarHBondContact N-O 3.31Å; S590-S593 VanDerWaalsContact O-O 3.09Å; S590-S593 PolarHBondContact OG-N 3.04Å; S590-S593 VanDerWaalsContact OG-N 3.09Å; S590-S593 PolarHBondContact OG-O 2.8Å; S590-S593 PolarHBondContact OG-OG 3.21Å
591	L	95	Very high	94.3	Very high	91 Å²	91	53.4 Å²	53.4	48%	0.476	28%	0.275	S	S	.	.	S	Bend	trans	-57.4	-34.6	176.5	-176.4	63.7	0	0	0	112.7	N520	N520-L591 VanDerWaalsContact OD1-CD1 3.31Å; N520-L591 WeakPolarHBondContact OD1-CD1 3.32Å
592	H	95.6	Very high	94.1	Very high	118 Å²	118	49.9 Å²	49.9	55%	0.546	26%	0.258	S	S	.	.	S	Bend	trans	-103.9	-9.6	-169.7	-60.2	-54.5	0	0	0	114.5	S590 E609	S590-H592 PolarHBondContact O-N 3.45Å; S590-H592 PolarHBondContact OG-N 2.83Å; H592-E609 IonicContact CE1-OE2 3.67Å; H592-E609 IonicContact CG-OE2 2.64Å; H592-E609 IonicContact ND1-OE2 2.72Å; H592-E609 PolarHBondContact ND1-OE2 2.77Å; H592-E609 PolarHBondContact O-N 3Å
593	S	96.4	Very high	94.1	Very high	14 Å²	14	45 Å²	45	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	162.2	-180	57.8	0	0	0	0	113.1	L519 S590 W606 F607	L519-S593 VanDerWaalsContact CD2-C 3.46Å; S590-S593 CarbonylContact C-O 3.58Å; S590-S593 WeakPolarHBondContact CA-O 3.4Å; S590-S593 WeakPolarHBondContact CB-O 3.4Å; S590-S593 PolarHBondContact N-O 3.31Å; S590-S593 VanDerWaalsContact O-O 3.09Å; S590-S593 PolarHBondContact OG-N 3.04Å; S590-S593 VanDerWaalsContact OG-N 3.09Å; S590-S593 PolarHBondContact OG-O 2.8Å; S590-S593 PolarHBondContact OG-OG 3.21Å; S593-W606 PolarHBondContact OG-NE1 3.41Å; S593-F607 CarbonylContact C-O 3.52Å; S593-F607 WeakPolarHBondContact CA-O 3.48Å; S593-F607 WeakPolarHBondContact CB-O 3.16Å
594	F	98	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.7	171.5	-161.3	-97.8	0	0	0	111.2	L519 Y523 M549 M553 Y560 M587 I596 W606 F607	L519-F594 HydrophobicContact CD1-CB 4.31Å; L519-F594 HydrophobicContact CD2-CB 4.3Å; Y523-F594 HydrophobicContact CE1-CD2 4.05Å; Y523-F594 HydrophobicContact CE1-CE2 4.32Å; M549-F594 HydrophobicContact SD-CE1 3.97Å; M549-F594 HydrophobicContact SD-CZ 4.33Å; M553-F594 HydrophobicContact CB-CE2 4Å; M553-F594 HydrophobicContact CB-CZ 4.22Å; M553-F594 HydrophobicContact CE-CB 4.11Å; M553-F594 HydrophobicContact CE-CD1 3.92Å; M553-F594 HydrophobicContact CE-CD2 3.64Å; M553-F594 HydrophobicContact CE-CE1 4.22Å; M553-F594 HydrophobicContact CE-CE2 4Å; M553-F594 HydrophobicContact CE-CG 3.63Å; M553-F594 HydrophobicContact CE-CZ 4.27Å; M553-F594 HydrophobicContact CG-CE1 4.18Å; M553-F594 HydrophobicContact CG-CE2 3.98Å; M553-F594 HydrophobicContact CG-CZ 3.75Å; Y560-F594 WeakPolarHBondContact OH-CZ 3.31Å; M587-F594 HydrophobicContact CB-CZ 4.26Å; F594-I596 HydrophobicContact CD1-CD1 4.31Å; F594-I596 HydrophobicContact CD1-CG1 3.89Å; F594-I596 HydrophobicContact CE1-CD1 4.03Å; F594-I596 HydrophobicContact CE1-CG1 3.64Å; F594-W606 WeakPolarHBondContact O-CA 3.34Å; F594-W606 VanDerWaalsContact O-CD1 3.32Å; F594-F607 HydrophobicContact CB-CD2 4.14Å; F594-F607 HydrophobicContact CB-CE1 4.17Å; F594-F607 HydrophobicContact CB-CE2 3.56Å; F594-F607 HydrophobicContact CB-CZ 3.57Å; F594-F607 HydrophobicContact CD1-CE1 4.15Å; F594-F607 AromaticContact CD1-CZ 3.82Å; F594-F607 HydrophobicContact CD1-CZ 3.82Å; F594-F607 HydrophobicContact CG-CE2 4.37Å; F594-F607 AromaticContact CG-CZ 3.98Å; F594-F607 HydrophobicContact CG-CZ 3.98Å; F594-F607 PolarHBondContact N-O 2.94Å; F594-F607 PolarHBondContact O-N 3.32Å
595	H	97.1	Very high	94.4	Very high	22 Å²	22	36.8 Å²	36.8	10%	0.102	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.5	-177.2	-57.5	-107.3	0	0	0	110.7	M587 R588 N603 W606	M587-H595 CarbonylContact C-O 3.57Å; M587-H595 WeakPolarHBondContact CA-O 3.36Å; R588-H595 HydrophobicContact CB-CB 4.35Å; R588-H595 PolarHBondContact N-O 2.94Å; R588-H595 PolarHBondContact NH2-NE2 3.39Å; R588-H595 WeakPolarHBondContact O-CB 3.47Å; R588-H595 PolarHBondContact O-CD2 2.62Å; R588-H595 PolarHBondContact O-N 3.48Å; H595-N603 PolarHBondContact ND1-OD1 3.15Å; H595-W606 AromaticContact CE1-CD1 3.66Å; H595-W606 AromaticContact CE1-NE1 3.87Å; H595-W606 AromaticContact CG-CD1 3.98Å; H595-W606 AromaticContact ND1-CD1 3.56Å
596	I	98.2	Very high	94.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.6	170.3	-55.9	177.5	0	0	0	108.8	L535 A547 M549 V567 F586 F594 A604 I605 F622	L535-I596 HydrophobicContact CD2-CD1 3.5Å; L535-I596 VanDerWaalsContact CD2-CD1 3.5Å; A547-I596 HydrophobicContact CB-CD1 3.9Å; A547-I596 HydrophobicContact CB-CG2 4.18Å; M549-I596 HydrophobicContact CG-CD1 4.3Å; M549-I596 HydrophobicContact SD-CD1 3.78Å; V567-I596 HydrophobicContact CG1-CG2 3.86Å; F586-I596 CarbonylContact O-C 3.53Å; F586-I596 WeakPolarHBondContact O-CA 3.49Å; F594-I596 HydrophobicContact CD1-CD1 4.31Å; F594-I596 HydrophobicContact CD1-CG1 3.89Å; F594-I596 HydrophobicContact CE1-CD1 4.03Å; F594-I596 HydrophobicContact CE1-CG1 3.64Å; I596-A604 WeakPolarHBondContact O-CB 3.48Å; I596-A604 PolarHBondContact O-N 3.28Å; I596-I605 HydrophobicContact CB-CB 4.24Å; I596-I605 PolarHBondContact N-O 2.87Å; I596-I605 PolarHBondContact O-N 2.86Å; I596-I605 VanDerWaalsContact O-N 3.12Å; I596-F622 HydrophobicContact CG2-CE2 4.1Å
597	G	96.3	Very high	94.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	79.2	-177.4	0	0	0	0	0	112.4	F585 F586 N603 A604 T619	F585-G597 CarbonylContact O-C 3.49Å; F585-G597 WeakPolarHBondContact O-CA 3.47Å; F586-G597 PolarHBondContact O-N 2.88Å; G597-N603 VanDerWaalsContact O-CA 3.31Å; G597-N603 WeakPolarHBondContact O-CA 3.24Å; G597-A604 PolarHBondContact O-N 3.17Å; G597-A604 VanDerWaalsContact O-N 3.08Å; G597-T619 WeakPolarHBondContact O-CG2 3.5Å
598	G	89.2	Confident	94.4	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.1	179.6	0	0	0	0	0	113.1	N583 F585 R602 T621	N583-G598 PolarHBondContact ND2-O 2.82Å; F585-G598 WeakPolarHBondContact CB-O 3.28Å; F585-G598 WeakPolarHBondContact CD2-O 3.23Å; F585-G598 PolarHBondContact O-N 2.85Å; G598-R602 WeakPolarHBondContact CA-O 3.32Å; G598-T621 PolarHBondContact O-OG1 3.15Å; G598-T621 VanDerWaalsContact O-OG1 3.09Å
599	Q	86.7	Confident	94.4	Very high	39 Å²	39	36.9 Å²	36.9	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	114	164.6	-179.7	64.8	-17.6	0	0	112.3	N583 G601 R602 D620	N583-Q599 PolarHBondContact ND2-OE1 2.96Å; N583-Q599 VanDerWaalsContact ND2-OE1 3.08Å; Q599-G601 PolarHBondContact O-N 2.78Å; Q599-G601 VanDerWaalsContact O-N 3.16Å; Q599-R602 PolarHBondContact N-O 2.89Å; Q599-R602 WeakPolarHBondContact O-CA 3.38Å; Q599-R602 VanDerWaalsContact O-CB 3.27Å; Q599-R602 WeakPolarHBondContact O-CB 3.38Å; Q599-R602 PolarHBondContact O-N 2.88Å; Q599-D620 HydrophobicContact CB-CB 4.5Å; Q599-D620 HydrophobicContact CG-CB 3.91Å; Q599-D620 WeakPolarHBondContact CG-OD2 3.13Å; Q599-D620 PolarHBondContact NE2-OD2 3.27Å
600	S	85.8	Confident	94.4	Very high	115 Å²	115	39 Å²	39	80%	0.804	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	37.4	176.1	-60.3	0	0	0	0	115
601	G	83.4	Confident	94.4	Very high	71 Å²	71	37.5 Å²	37.5	73%	0.732	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.4	-22.6	-177.1	0	0	0	0	0	114.3	Q599 N603	Q599-G601 PolarHBondContact O-N 2.78Å; Q599-G601 VanDerWaalsContact O-N 3.16Å; G601-N603 PolarHBondContact O-ND2 2.87Å
602	R	91.6	Very high	94.4	Very high	84 Å²	84	37.5 Å²	37.5	32%	0.317	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	156.1	178.1	-52.5	-168.4	-67.8	175.3	0.6	112.3	G598 Q599 E617	G598-R602 WeakPolarHBondContact CA-O 3.32Å; Q599-R602 PolarHBondContact N-O 2.89Å; Q599-R602 WeakPolarHBondContact O-CA 3.38Å; Q599-R602 VanDerWaalsContact O-CB 3.27Å; Q599-R602 WeakPolarHBondContact O-CB 3.38Å; Q599-R602 PolarHBondContact O-N 2.88Å; R602-E617 WeakPolarHBondContact CA-OE2 3.43Å; R602-E617 HydrophobicContact CB-CB 4.07Å; R602-E617 VanDerWaalsContact CB-CD 3.45Å; R602-E617 HydrophobicContact CB-CG 4.36Å; R602-E617 WeakPolarHBondContact CB-OE1 3.41Å; R602-E617 WeakPolarHBondContact CB-OE2 3.44Å; R602-E617 WeakPolarHBondContact CD-OE1 3.41Å; R602-E617 WeakPolarHBondContact CG-OE1 3.37Å
603	N	95.1	Very high	94.3	Very high	13 Å²	13	37 Å²	37	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.8	-174.4	-47.6	-91.9	0	0	0	112.7	H595 G597 G601 I605 W606 E617	H595-N603 PolarHBondContact ND1-OD1 3.15Å; G597-N603 VanDerWaalsContact O-CA 3.31Å; G597-N603 WeakPolarHBondContact O-CA 3.24Å; G601-N603 PolarHBondContact O-ND2 2.87Å; N603-I605 VanDerWaalsContact C-N 3.32Å; N603-I605 PolarHBondContact O-N 2.9Å; N603-W606 HydrophobicContact CB-CB 3.9Å; N603-E617 PolarHBondContact N-OE2 2.98Å; N603-E617 WeakPolarHBondContact O-CB 3.42Å; N603-E617 PolarHBondContact O-N 3.38Å
604	A	97	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	-40.5	177.6	0	0	0	0	0	111	V567 I596 G597 S616 T619 F622	V567-A604 HydrophobicContact CG1-CB 4.19Å; V567-A604 HydrophobicContact CG2-CB 4.41Å; I596-A604 WeakPolarHBondContact O-CB 3.48Å; I596-A604 PolarHBondContact O-N 3.28Å; G597-A604 PolarHBondContact O-N 3.17Å; G597-A604 VanDerWaalsContact O-N 3.08Å; A604-S616 WeakPolarHBondContact O-CA 3Å; A604-S616 WeakPolarHBondContact O-CB 3.35Å; A604-S616 PolarHBondContact O-OG 2.87Å; A604-T619 HydrophobicContact CB-CG2 3.83Å; A604-T619 VanDerWaalsContact N-CG2 3.26Å; A604-F622 HydrophobicContact CB-CD2 4.02Å; A604-F622 HydrophobicContact CB-CE2 4.49Å
605	I	97.6	Very high	94	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.7	163.9	-55.1	177.1	0	0	0	108	I537 F545 A547 V567 I596 N603 F607 L627 F684	I537-I605 HydrophobicContact CD1-CG2 3.85Å; F545-I605 HydrophobicContact CD2-CD1 4.09Å; F545-I605 HydrophobicContact CD2-CG1 4.39Å; F545-I605 HydrophobicContact CE2-CD1 4.49Å; A547-I605 HydrophobicContact CB-CD1 4.42Å; V567-I605 HydrophobicContact CG1-CD1 4.46Å; I596-I605 HydrophobicContact CB-CB 4.24Å; I596-I605 PolarHBondContact N-O 2.87Å; I596-I605 PolarHBondContact O-N 2.86Å; I596-I605 VanDerWaalsContact O-N 3.12Å; N603-I605 VanDerWaalsContact C-N 3.32Å; N603-I605 PolarHBondContact O-N 2.9Å; I605-F607 HydrophobicContact CG2-CD1 3.89Å; I605-F607 HydrophobicContact CG2-CE1 4.18Å; I605-L627 HydrophobicContact CD1-CD1 4.05Å; I605-L627 HydrophobicContact CG1-CD1 3.71Å; I605-F684 HydrophobicContact CG2-CZ 4.41Å
606	W	96.7	Very high	93.9	Very high	69 Å²	69	36.1 Å²	36.1	26%	0.261	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146	165.8	176	85.4	0	0	0	109.6	S593 F594 H595 N603 D608 G614 C615	S593-W606 PolarHBondContact OG-NE1 3.41Å; F594-W606 WeakPolarHBondContact O-CA 3.34Å; F594-W606 VanDerWaalsContact O-CD1 3.32Å; H595-W606 AromaticContact CE1-CD1 3.66Å; H595-W606 AromaticContact CE1-NE1 3.87Å; H595-W606 AromaticContact CG-CD1 3.98Å; H595-W606 AromaticContact ND1-CD1 3.56Å; N603-W606 HydrophobicContact CB-CB 3.9Å; W606-D608 HydrophobicContact CH2-CB 3.87Å; W606-D608 HydrophobicContact CZ2-CB 4.44Å; W606-D608 HydrophobicContact CZ3-CB 4.44Å; W606-G614 CarbonylContact O-C 3.51Å; W606-G614 WeakPolarHBondContact O-CA 3.35Å; W606-C615 HydrophobicContact CE3-CB 4.13Å; W606-C615 PolarHBondContact N-O 3.4Å; W606-C615 PolarHBondContact O-N 2.57Å
607	F	96.9	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.3	171	51	-92	0	0	0	112.9	L519 L535 I537 M553 S593 F594 I605 L611 Y613 I686 F689	L519-F607 HydrophobicContact CD1-CE2 4.13Å; L535-F607 HydrophobicContact CD2-CE1 3.91Å; L535-F607 HydrophobicContact CD2-CZ 4.37Å; I537-F607 HydrophobicContact CD1-CD1 4.07Å; I537-F607 HydrophobicContact CD1-CE1 4.34Å; M553-F607 HydrophobicContact CE-CE2 3.87Å; M553-F607 HydrophobicContact CE-CZ 3.64Å; M553-F607 HydrophobicContact SD-CZ 4.5Å; S593-F607 CarbonylContact C-O 3.52Å; S593-F607 WeakPolarHBondContact CA-O 3.48Å; S593-F607 WeakPolarHBondContact CB-O 3.16Å; F594-F607 HydrophobicContact CB-CD2 4.14Å; F594-F607 HydrophobicContact CB-CE1 4.17Å; F594-F607 HydrophobicContact CB-CE2 3.56Å; F594-F607 HydrophobicContact CB-CZ 3.57Å; F594-F607 HydrophobicContact CD1-CE1 4.15Å; F594-F607 AromaticContact CD1-CZ 3.82Å; F594-F607 HydrophobicContact CD1-CZ 3.82Å; F594-F607 HydrophobicContact CG-CE2 4.37Å; F594-F607 AromaticContact CG-CZ 3.98Å; F594-F607 HydrophobicContact CG-CZ 3.98Å; F594-F607 PolarHBondContact N-O 2.94Å; F594-F607 PolarHBondContact O-N 3.32Å; I605-F607 HydrophobicContact CG2-CD1 3.89Å; I605-F607 HydrophobicContact CG2-CE1 4.18Å; F607-L611 HydrophobicContact CD2-CD2 3.65Å; F607-L611 HydrophobicContact CE2-CD2 3.79Å; F607-Y613 WeakPolarHBondContact CA-O 3.47Å; F607-I686 HydrophobicContact CB-CD1 3.83Å; F607-I686 HydrophobicContact CG-CD1 4.47Å; F607-F689 HydrophobicContact CD1-CE2 4.38Å; F607-F689 HydrophobicContact CD2-CE2 4.04Å; F607-F689 AromaticContact CE1-CE2 3.96Å; F607-F689 HydrophobicContact CE1-CE2 3.96Å; F607-F689 AromaticContact CE2-CE2 3.54Å; F607-F689 HydrophobicContact CE2-CE2 3.54Å; F607-F689 AromaticContact CE2-CZ 3.78Å; F607-F689 HydrophobicContact CE2-CZ 3.78Å; F607-F689 HydrophobicContact CG-CE2 4.42Å; F607-F689 AromaticContact CZ-CE2 3.51Å; F607-F689 HydrophobicContact CZ-CE2 3.51Å; F607-F689 AromaticContact CZ-CZ 3.75Å; F607-F689 HydrophobicContact CZ-CZ 3.75Å
608	D	96.5	Very high	93.6	Very high	21 Å²	21	39 Å²	39	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	171.4	-173.2	86.1	-61.2	0	0	0	114.5	W606 S610 L611 K612 Y613	W606-D608 HydrophobicContact CH2-CB 3.87Å; W606-D608 HydrophobicContact CZ2-CB 4.44Å; W606-D608 HydrophobicContact CZ3-CB 4.44Å; D608-S610 PolarHBondContact O-N 3.22Å; D608-S610 VanDerWaalsContact OD2-CB 3.32Å; D608-S610 WeakPolarHBondContact OD2-CB 3.3Å; D608-S610 PolarHBondContact OD2-N 2.77Å; D608-S610 PolarHBondContact OD2-OG 2.71Å; D608-L611 PolarHBondContact O-N 3.03Å; D608-L611 VanDerWaalsContact O-N 3.12Å; D608-L611 PolarHBondContact OD1-N 3Å; D608-K612 PolarHBondContact OD1-N 2.99Å; D608-Y613 PolarHBondContact N-O 2.74Å; D608-Y613 PolarHBondContact OD1-N 3.07Å
609	E	97.5	Very high	93.9	Very high	83 Å²	83	39.1 Å²	39.1	39%	0.388	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.4	177.8	56.2	176.8	-148.9	0	0	114.9	S518 L519 H592 L611	S518-E609 WeakPolarHBondContact CA-O 3.49Å; L519-E609 PolarHBondContact N-O 3.01Å; H592-E609 IonicContact CE1-OE2 3.67Å; H592-E609 IonicContact CG-OE2 2.64Å; H592-E609 IonicContact ND1-OE2 2.72Å; H592-E609 PolarHBondContact ND1-OE2 2.77Å; H592-E609 PolarHBondContact O-N 3Å; E609-L611 VanDerWaalsContact C-N 3.32Å
610	S	95.3	Very high	94.3	Very high	44 Å²	44	39.4 Å²	39.4	31%	0.308	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	6.5	178.7	74.9	0	0	0	0	113.7	Y517 D608 K612	Y517-S610 WeakPolarHBondContact CB-O 3.31Å; D608-S610 PolarHBondContact O-N 3.22Å; D608-S610 VanDerWaalsContact OD2-CB 3.32Å; D608-S610 WeakPolarHBondContact OD2-CB 3.3Å; D608-S610 PolarHBondContact OD2-N 2.77Å; D608-S610 PolarHBondContact OD2-OG 2.71Å; S610-K612 PolarHBondContact O-N 2.85Å; S610-K612 VanDerWaalsContact O-N 3.14Å; S610-K612 WeakPolarHBondContact OG-CB 3.2Å
611	L	96.7	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	48	39.5	-178.5	-54	-177.5	0	0	0	112.6	Y510 Y517 L519 V522 F607 D608 E609 I686 F689	Y510-L611 HydrophobicContact CE1-CD1 3.9Å; Y510-L611 WeakPolarHBondContact OH-CD1 3.34Å; Y517-L611 HydrophobicContact CD1-CB 4.43Å; L519-L611 HydrophobicContact CB-CD2 3.98Å; L519-L611 HydrophobicContact CD1-CD2 4.48Å; V522-L611 HydrophobicContact CG2-CD1 3.83Å; F607-L611 HydrophobicContact CD2-CD2 3.65Å; F607-L611 HydrophobicContact CE2-CD2 3.79Å; D608-L611 PolarHBondContact O-N 3.03Å; D608-L611 VanDerWaalsContact O-N 3.12Å; D608-L611 PolarHBondContact OD1-N 3Å; E609-L611 VanDerWaalsContact C-N 3.32Å; L611-I686 WeakPolarHBondContact O-CB 3.42Å; L611-I686 WeakPolarHBondContact O-CG2 3.49Å; L611-F689 HydrophobicContact CD1-CD1 4.05Å; L611-F689 HydrophobicContact CD1-CE1 4.24Å; L611-F689 HydrophobicContact CD1-CG 4.35Å; L611-F689 HydrophobicContact CD2-CD2 4.45Å; L611-F689 HydrophobicContact CD2-CE2 4.15Å; L611-F689 HydrophobicContact CD2-CZ 4.22Å
612	K	93.8	Very high	95.3	Very high	91 Å²	91	30.8 Å²	30.8	40%	0.396	15%	0.145	S	C	.	.			trans	-124.2	-38.9	-170.3	-175.4	-173.3	177	-160	0	112.2	D608 S610 I685 I686	D608-K612 PolarHBondContact OD1-N 2.99Å; S610-K612 PolarHBondContact O-N 2.85Å; S610-K612 VanDerWaalsContact O-N 3.14Å; S610-K612 WeakPolarHBondContact OG-CB 3.2Å; K612-I685 CarbonylContact O-C 3.59Å; K612-I685 WeakPolarHBondContact O-CA 3.34Å; K612-I685 WeakPolarHBondContact O-CG2 3.4Å; K612-I686 PolarHBondContact O-N 2.95Å
613	Y	94.1	Very high	95.5	Very high	109 Å²	109	31.7 Å²	31.7	43%	0.427	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.3	-179.7	-62.1	-69.1	0	0	0	109.4	F607 D608 I685	F607-Y613 WeakPolarHBondContact CA-O 3.47Å; D608-Y613 PolarHBondContact N-O 2.74Å; D608-Y613 PolarHBondContact OD1-N 3.07Å; Y613-I685 HydrophobicContact CD1-CG1 4.38Å; Y613-I685 HydrophobicContact CE1-CG1 4.38Å
614	G	94.9	Very high	95.5	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	176	173.1	0	0	0	0	0	113	W606 S683 F684	W606-G614 CarbonylContact O-C 3.51Å; W606-G614 WeakPolarHBondContact O-CA 3.35Å; G614-S683 CarbonylContact O-C 3.49Å; G614-S683 VanDerWaalsContact O-CA 3.3Å; G614-S683 WeakPolarHBondContact O-CA 3.33Å; G614-F684 VanDerWaalsContact CA-CE2 3.49Å; G614-F684 PolarHBondContact N-O 2.84Å; G614-F684 PolarHBondContact O-N 3.46Å
615	C	93.2	Very high	95.3	Very high	14 Å²	14	33.7 Å²	33.7	10%	0.095	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.6	179.3	-170.6	0	0	0	0	110.2	W606 S681 V682 F684	W606-C615 HydrophobicContact CE3-CB 4.13Å; W606-C615 PolarHBondContact N-O 3.4Å; W606-C615 PolarHBondContact O-N 2.57Å; C615-S681 PolarHBondContact SG-OG 3.36Å; C615-V682 VanDerWaalsContact CA-O 3.31Å; C615-V682 WeakPolarHBondContact CA-O 3.33Å; C615-V682 PolarHBondContact SG-O 3.36Å; C615-F684 VanDerWaalsContact N-CE1 3.31Å
616	S	94.9	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.7	173.3	-174.5	0	0	0	0	109.8	A604 L627 V682	A604-S616 WeakPolarHBondContact O-CA 3Å; A604-S616 WeakPolarHBondContact O-CB 3.35Å; A604-S616 PolarHBondContact O-OG 2.87Å; S616-L627 WeakPolarHBondContact OG-CB 3.42Å; S616-L627 PolarHBondContact OG-N 3.31Å; S616-V682 PolarHBondContact N-O 3.02Å; S616-V682 PolarHBondContact O-N 3.19Å
617	E	93.8	Very high	94.9	Very high	25 Å²	25	31.7 Å²	31.7	12%	0.117	16%	0.164	C	C	.	.			trans	-138	154.3	-177.8	-72.4	167.9	108.7	0	0	110.6	R602 N603 T619 N624	R602-E617 WeakPolarHBondContact CA-OE2 3.43Å; R602-E617 HydrophobicContact CB-CB 4.07Å; R602-E617 VanDerWaalsContact CB-CD 3.45Å; R602-E617 HydrophobicContact CB-CG 4.36Å; R602-E617 WeakPolarHBondContact CB-OE1 3.41Å; R602-E617 WeakPolarHBondContact CB-OE2 3.44Å; R602-E617 WeakPolarHBondContact CD-OE1 3.41Å; R602-E617 WeakPolarHBondContact CG-OE1 3.37Å; N603-E617 PolarHBondContact N-OE2 2.98Å; N603-E617 WeakPolarHBondContact O-CB 3.42Å; N603-E617 PolarHBondContact O-N 3.38Å; E617-T619 WeakPolarHBondContact O-CG2 3.45Å; E617-N624 PolarHBondContact O-ND2 3.31Å
618	P	94.7	Very high	94.4	Very high	36 Å²	36	31.9 Å²	31.9	23%	0.234	17%	0.166	C	C	.	.			trans	-66.4	134.5	168.6	-22.4	34.2	0	0	0	112.9	N624 V626 D680	P618-N624 WeakPolarHBondContact CA-O 3.5Å; P618-N624 VanDerWaalsContact CB-O 3.32Å; P618-N624 WeakPolarHBondContact CB-O 2.98Å; P618-V626 HydrophobicContact CG-CG2 4.41Å; P618-D680 VanDerWaalsContact CD-O 3.23Å; P618-D680 WeakPolarHBondContact CD-O 3.46Å; P618-D680 HydrophobicContact CG-CB 4.03Å
619	T	95.6	Very high	92.9	Very high	5 Å²	5	32 Å²	32	3%	0.031	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-134.1	146.9	-174.8	79.4	0	0	0	0	113.8	G597 A604 E617 T621 D623 N624	G597-T619 WeakPolarHBondContact O-CG2 3.5Å; A604-T619 HydrophobicContact CB-CG2 3.83Å; A604-T619 VanDerWaalsContact N-CG2 3.26Å; E617-T619 WeakPolarHBondContact O-CG2 3.45Å; T619-T621 PolarHBondContact O-N 2.95Å; T619-D623 WeakPolarHBondContact O-CA 3.33Å; T619-D623 PolarHBondContact O-N 3.25Å; T619-N624 WeakPolarHBondContact CB-OD1 3.39Å; T619-N624 PolarHBondContact N-OD1 3.22Å; T619-N624 PolarHBondContact OG1-OD1 2.71Å
620	D	94.8	Very high	90.8	Very high	46 Å²	46	34.4 Å²	34.4	25%	0.246	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.8	173.1	-77.1	-62.8	0	0	0	113	T580 K582 Q599 F622	T580-D620 WeakPolarHBondContact CB-O 3.46Å; T580-D620 VanDerWaalsContact CG2-O 3.29Å; T580-D620 WeakPolarHBondContact CG2-O 3.38Å; T580-D620 PolarHBondContact OG1-O 3.09Å; K582-D620 HydrophobicContact CB-CB 4.22Å; K582-D620 HydrophobicContact CD-CB 3.65Å; K582-D620 WeakPolarHBondContact CD-O 3.25Å; K582-D620 WeakPolarHBondContact CD-OD1 3.13Å; K582-D620 WeakPolarHBondContact CE-OD1 3.25Å; K582-D620 IonicContact NZ-OD1 2.77Å; K582-D620 PolarHBondContact NZ-OD1 2.71Å; Q599-D620 HydrophobicContact CB-CB 4.5Å; Q599-D620 HydrophobicContact CG-CB 3.91Å; Q599-D620 WeakPolarHBondContact CG-OD2 3.13Å; Q599-D620 PolarHBondContact NE2-OD2 3.27Å; D620-F622 VanDerWaalsContact C-N 3.31Å; D620-F622 PolarHBondContact O-N 3.5Å
621	T	94.9	Very high	88.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-36.2	179.8	-48.1	0	0	0	0	112.2	W579 T580 N583 F586 G598 T619	W579-T621 WeakPolarHBondContact CA-O 3.35Å; T580-T621 PolarHBondContact N-O 3.42Å; T580-T621 PolarHBondContact OG1-O 3.08Å; N583-T621 PolarHBondContact ND2-OG1 3.46Å; N583-T621 VanDerWaalsContact ND2-OG1 3.12Å; N583-T621 WeakPolarHBondContact OD1-CB 3.29Å; N583-T621 WeakPolarHBondContact OD1-CG2 3.3Å; N583-T621 PolarHBondContact OD1-OG1 3.14Å; F586-T621 HydrophobicContact CD1-CG2 4.11Å; F586-T621 HydrophobicContact CE1-CG2 4.47Å; G598-T621 PolarHBondContact O-OG1 3.15Å; G598-T621 VanDerWaalsContact O-OG1 3.09Å; T619-T621 PolarHBondContact O-N 2.95Å
622	F	96.8	Very high	85.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.018	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-7.1	-173.4	-56.5	-55.7	0	0	0	115.3	T565 V567 T580 F586 I596 A604 D620 N624	T565-F622 HydrophobicContact CG2-CE1 4.45Å; T565-F622 HydrophobicContact CG2-CZ 3.9Å; T565-F622 VanDerWaalsContact O-CE1 3.25Å; T565-F622 WeakPolarHBondContact O-CE1 3.44Å; V567-F622 HydrophobicContact CB-CD2 4.44Å; V567-F622 HydrophobicContact CG1-CD2 3.79Å; V567-F622 HydrophobicContact CG1-CE2 3.77Å; V567-F622 HydrophobicContact CG2-CB 3.98Å; V567-F622 HydrophobicContact CG2-CD2 3.85Å; V567-F622 HydrophobicContact CG2-CG 4.05Å; T580-F622 VanDerWaalsContact CG2-C 3.45Å; F586-F622 HydrophobicContact CD1-CE1 4.21Å; F586-F622 HydrophobicContact CD1-CZ 4.28Å; I596-F622 HydrophobicContact CG2-CE2 4.1Å; A604-F622 HydrophobicContact CB-CD2 4.02Å; A604-F622 HydrophobicContact CB-CE2 4.49Å; D620-F622 VanDerWaalsContact C-N 3.31Å; D620-F622 PolarHBondContact O-N 3.5Å; F622-N624 HydrophobicContact CB-CB 4.24Å; F622-N624 PolarHBondContact O-N 3.23Å
623	D	95.5	Very high	82.5	Confident	103 Å²	103	45 Å²	45	55%	0.551	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	29.4	-169.8	-124.3	56.3	0	0	0	112.7	T580 K582 T619	T580-D623 HydrophobicContact CG2-CB 3.76Å; K582-D623 IonicContact NZ-OD1 3.95Å; K582-D623 PolarHBondContact NZ-OD1 2.85Å; T619-D623 WeakPolarHBondContact O-CA 3.33Å; T619-D623 PolarHBondContact O-N 3.25Å
624	N	94.3	Very high	79.7	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-72.7	147.5	179.5	67.3	-76.5	0	0	0	111	V567 Y577 E617 P618 T619 F622 L627	V567-N624 HydrophobicContact CG2-CB 3.81Å; Y577-N624 HydrophobicContact CD1-CB 4.18Å; Y577-N624 HydrophobicContact CD2-CB 4.35Å; Y577-N624 HydrophobicContact CG-CB 3.96Å; E617-N624 PolarHBondContact O-ND2 3.31Å; P618-N624 WeakPolarHBondContact CA-O 3.5Å; P618-N624 VanDerWaalsContact CB-O 3.32Å; P618-N624 WeakPolarHBondContact CB-O 2.98Å; T619-N624 WeakPolarHBondContact CB-OD1 3.39Å; T619-N624 PolarHBondContact N-OD1 3.22Å; T619-N624 PolarHBondContact OG1-OD1 2.71Å; F622-N624 HydrophobicContact CB-CB 4.24Å; F622-N624 PolarHBondContact O-N 3.23Å; N624-L627 HydrophobicContact CB-CD2 4.22Å
625	P	93.5	Very high	76.5	Confident	51 Å²	51	54.9 Å²	54.9	33%	0.331	30%	0.303	S	S	.	.			trans	-76	-178.2	156	37.3	-35.9	0	0	0	109.5	Y577 L627	Y577-P625 HydrophobicContact CE1-CG 4.24Å; Y577-P625 HydrophobicContact CE2-CG 4.45Å; Y577-P625 VanDerWaalsContact OH-CD 3.31Å; Y577-P625 WeakPolarHBondContact OH-CD 3.41Å; Y577-P625 WeakPolarHBondContact OH-CG 3.47Å; P625-L627 PolarHBondContact O-N 3.24Å
626	V	92.9	Very high	73.6	Confident	22 Å²	22	63.4 Å²	63.4	13%	0.133	34%	0.339	C	S	.	.			trans	-53.1	133.9	159.8	-177.2	0	0	0	0	109.8	P618 S628 D680 V682	P618-V626 HydrophobicContact CG-CG2 4.41Å; V626-S628 VanDerWaalsContact CG1-O 3.26Å; V626-S628 WeakPolarHBondContact CG1-O 3.36Å; V626-D680 WeakPolarHBondContact CG2-O 3.49Å; V626-V682 HydrophobicContact CB-CG2 4.49Å; V626-V682 HydrophobicContact CG1-CB 3.58Å; V626-V682 HydrophobicContact CG1-CG1 4.01Å; V626-V682 HydrophobicContact CG1-CG2 3.8Å; V626-V682 HydrophobicContact CG2-CB 4.43Å; V626-V682 HydrophobicContact CG2-CG2 3.99Å
627	L	93.3	Very high	70.6	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.026	38%	0.377	C	S	.	.	S	Bend	trans	-96.1	-13.1	-175.2	-56	176.3	0	0	0	114.4	F545 V567 H569 Y577 I605 S616 N624 P625	F545-L627 HydrophobicContact CB-CB 3.94Å; F545-L627 WeakPolarHBondContact CB-O 3.33Å; F545-L627 HydrophobicContact CD2-CB 3.96Å; F545-L627 HydrophobicContact CG-CB 4.04Å; V567-L627 HydrophobicContact CB-CD1 3.79Å; V567-L627 HydrophobicContact CG1-CD1 4.41Å; V567-L627 HydrophobicContact CG2-CD1 3.91Å; V567-L627 HydrophobicContact CG2-CD2 4.39Å; H569-L627 HydrophobicContact CB-CB 4.47Å; H569-L627 HydrophobicContact CB-CD2 4.34Å; Y577-L627 HydrophobicContact CD2-CD2 4.19Å; Y577-L627 HydrophobicContact CE2-CD2 4.13Å; I605-L627 HydrophobicContact CD1-CD1 4.05Å; I605-L627 HydrophobicContact CG1-CD1 3.71Å; S616-L627 WeakPolarHBondContact OG-CB 3.42Å; S616-L627 PolarHBondContact OG-N 3.31Å; N624-L627 HydrophobicContact CB-CD2 4.22Å; P625-L627 PolarHBondContact O-N 3.24Å
628	S	85.6	Confident	67.6	Low	5 Å²	5	71.6 Å²	71.6	4%	0.035	40%	0.399	C	S	.	.	S	Bend	trans	-119.1	167.8	179.3	167.9	0	0	0	0	111.4	D539 V626 F684	D539-S628 PolarHBondContact OD2-OG 3.12Å; V626-S628 VanDerWaalsContact CG1-O 3.26Å; V626-S628 WeakPolarHBondContact CG1-O 3.36Å; S628-F684 VanDerWaalsContact OG-CB 3.29Å; S628-F684 WeakPolarHBondContact OG-CB 3.31Å
629	G	65.7	Low	64.5	Low	22 Å²	22	76.9 Å²	76.9	23%	0.227	43%	0.425	C	S	.	.	S	Bend	trans	-66.5	135	-178.3	0	0	0	0	0	112.6	V682	G629-V682 WeakPolarHBondContact O-CG1 3.01Å
630	N	53.3	Low	61.3	Low	135 Å²	135	82.2 Å²	82.2	72%	0.722	46%	0.462	S	S	*	.	P	Polyproline II helix	cis	-101.1	124.9	24.4	-60.6	-45.1	0	0	0	114.4
631	L	42.1	Very low	58.5	Low	91 Å²	91	87.3 Å²	87.3	48%	0.476	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-70.8	131.8	166.2	-155.1	89.7	0	0	0	109.4	P572	P572-L631 HydrophobicContact CB-CD2 4.26Å; P572-L631 HydrophobicContact CG-CD2 3.97Å
632	P	35.8	Very low	55.6	Low	108 Å²	108	94.4 Å²	94.4	70%	0.701	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-68.5	143.1	178.1	-21	33.4	0	0	0	113.1	I634	P632-I634 PolarHBondContact O-N 2.97Å
633	D	33	Very low	52.4	Low	159 Å²	159	104.2 Å²	104.2	85%	0.85	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-58.2	132.8	172.9	-88.8	-42.7	0	0	0	111.8
634	I	34.9	Very low	49.7	Very low	145 Å²	145	104.3 Å²	104.3	74%	0.744	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-71.8	137.5	174.6	-62.9	176.3	0	0	0	109.1	P632 F636	P632-I634 PolarHBondContact O-N 2.97Å; I634-F636 PolarHBondContact O-N 2.88Å
635	Q	29	Very low	47	Very low	172 Å²	172	109.8 Å²	109.8	80%	0.804	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-56	120.9	-165.1	-61.1	175.7	1.4	0	0	114.9	S637	Q635-S637 PolarHBondContact O-N 2.83Å
636	F	32.3	Very low	44.4	Very low	193 Å²	193	114.8 Å²	114.8	85%	0.846	62%	0.623	S	S	*	*			trans	-82.3	88.8	158.9	-80.5	-72.1	0	0	0	111	I634 S638	I634-F636 PolarHBondContact O-N 2.88Å; F636-S638 PolarHBondContact O-N 2.95Å
637	S	30.1	Very low	41.5	Very low	116 Å²	116	120 Å²	120	81%	0.811	65%	0.65	S	S	*	*			trans	-75.3	64.7	173	48.1	0	0	0	0	112.4	Q635	Q635-S637 PolarHBondContact O-N 2.83Å
638	S	32	Very low	38.7	Very low	82 Å²	82	127.2 Å²	127.2	57%	0.573	68%	0.684	S	S	*	*			trans	-148.2	156.8	176.3	74.2	0	0	0	0	114.4	F636	F636-S638 PolarHBondContact O-N 2.95Å
639	L	30.1	Very low	36.1	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	72%	0.717	S	S	*	*			trans	63.1	70.9	167.7	-59.4	175.6	0	0	0	117	I641	L639-I641 PolarHBondContact O-N 2.86Å
640	S	28.2	Very low	34.6	Very low	117 Å²	117	139.2 Å²	139.2	82%	0.818	75%	0.747	S	S	*	*			trans	-60.2	113	153	55.5	0	0	0	0	111.4
641	I	34.5	Very low	33.5	Very low	152 Å²	152	138.9 Å²	138.9	78%	0.779	74%	0.744	S	S	*	*			trans	-121.5	145.9	168.6	-63.6	-177.4	0	0	0	109.1	L639	L639-I641 PolarHBondContact O-N 2.86Å
642	N	35.3	Very low	33	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	76%	0.763	S	S	*	*			trans	-88.1	160.5	-152.7	-72	-69.5	0	0	0	116	S644	N642-S644 PolarHBondContact O-N 3.14Å
643	K	29.9	Very low	32.5	Very low	210 Å²	210	144.5 Å²	144.5	91%	0.913	76%	0.762	S	S	*	*			trans	-62.5	116.1	174.4	-66.5	175.2	176.7	176.3	0	113.2
644	S	37.3	Very low	32.3	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	75%	0.753	S	S	*	*			trans	176.1	143.3	146.8	54.7	0	0	0	0	108.2	N642	N642-S644 PolarHBondContact O-N 3.14Å
645	D	38.3	Very low	31.8	Very low	119 Å²	119	142.3 Å²	142.3	64%	0.636	75%	0.752	S	S	*	*			cis	-158.8	148.6	11.1	-142.1	-0.3	0	0	0	111.5
646	K	37.8	Very low	31.7	Very low	156 Å²	156	144.4 Å²	144.4	68%	0.678	75%	0.754	S	S	*	*			trans	51.7	133.4	149.3	-72	166.8	-172.2	75	0	123
647	N	33.4	Very low	31.7	Very low	131 Å²	131	143.8 Å²	143.8	70%	0.701	75%	0.754	S	S	*	*			trans	72	141	152.9	-60.5	26.1	0	0	0	117.1
648	E	35	Very low	31.4	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.734	76%	0.758	S	S	*	*			cis	-148.4	168.9	3	-131.8	159.3	-116	0	0	113.6
649	N	30.7	Very low	31.4	Very low	136 Å²	136	149.4 Å²	149.4	73%	0.727	77%	0.773	S	S	*	*			trans	-48	158.6	-173.8	-51.3	-68.9	0	0	0	115.3
650	V	32.9	Very low	31.3	Very low	142 Å²	142	150.1 Å²	150.1	86%	0.861	77%	0.772	S	S	*	*				-153.5	150.5	64.8	161.9	0	0	0	0	113.9
651	I	30.3	Very low	31.4	Very low	128 Å²	128	150.5 Å²	150.5	66%	0.656	77%	0.765	S	S	*	*			trans	-98	146.9	-178.5	-61.4	152.1	0	0	0	110.8	Q653	I651-Q653 HydrophobicContact CG2-CG 4.23Å
652	I	32.2	Very low	31	Very low	171 Å²	171	150 Å²	150	88%	0.877	76%	0.764	S	S	*	*				-152.4	148.5	127.5	-68	-153.2	0	0	0	108.3
653	Q	25.8	Very low	30.8	Very low	147 Å²	147	151.1 Å²	151.1	69%	0.687	76%	0.764	S	S	*	*			trans	-119.9	174.2	-173.2	-53.3	170.8	-67.5	0	0	113.5	I651	I651-Q653 HydrophobicContact CG2-CG 4.23Å
654	N	28.8	Very low	30.8	Very low	124 Å²	124	148.4 Å²	148.4	66%	0.663	76%	0.759	S	S	*	*			trans	102.4	107.7	145	-59	-38.8	0	0	0	120.6
655	N	23.7	Very low	30.5	Very low	134 Å²	134	153.2 Å²	153.2	72%	0.717	77%	0.768	S	S	*	*				35.2	124.9	121.9	-55	-7	0	0	0	121.1
656	Y	28.1	Very low	30.1	Very low	216 Å²	216	154.7 Å²	154.7	85%	0.847	78%	0.775	S	S	*	*				-157.8	119.3	120.2	-82.1	-67.6	0	0	0	107.3
657	Q	30.5	Very low	29.9	Very low	180 Å²	180	152.5 Å²	152.5	84%	0.841	78%	0.777	S	S	*	*				57.4	130.6	91.4	-78.9	-163.6	-23.9	0	0	116.7
658	N	24.6	Very low	29.9	Very low	168 Å²	168	153.4 Å²	153.4	90%	0.898	78%	0.781	S	S	*	*			trans	-66.5	139.8	-171.4	-58.5	-20	0	0	0	114.4
659	V	31	Very low	29.6	Very low	148 Å²	148	153.2 Å²	153.2	90%	0.897	79%	0.785	S	S	*	*			trans	-135.1	148.1	151.6	-178.2	0	0	0	0	109
660	H	28.3	Very low	29.6	Very low	161 Å²	161	151.8 Å²	151.8	75%	0.745	78%	0.783	S	S	*	*			trans	-80.9	156.5	-169.1	-113	-83.3	0	0	0	115.3
661	N	30	Very low	29.3	Very low	126 Å²	126	151.1 Å²	151.1	67%	0.674	78%	0.78	S	S	*	*			trans	78.3	138.7	149.7	-62.7	-14.8	0	0	0	120.6
662	N	26.8	Very low	29.3	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	78%	0.781	S	S	*	*			trans	57.2	113.5	155	-56.5	-8.9	0	0	0	118.1
663	H	32.5	Very low	28.9	Very low	173 Å²	173	150.8 Å²	150.8	80%	0.801	78%	0.78	S	S	*	*				-165.5	156.1	110.1	-104.4	-66.6	0	0	0	113
664	N	28.7	Very low	29.1	Very low	153 Å²	153	153.5 Å²	153.5	82%	0.818	79%	0.785	S	S	*	*			trans	-59.1	132.2	175.4	-51	-12.7	0	0	0	111
665	F	31.4	Very low	29	Very low	207 Å²	207	153.1 Å²	153.1	91%	0.908	79%	0.789	S	S	*	*			trans	-91.4	119	163.9	-93.7	-88.7	0	0	0	110.4
666	N	30.6	Very low	29.1	Very low	149 Å²	149	152.6 Å²	152.6	80%	0.797	80%	0.796	S	S	*	*			trans	-110.3	109.6	175.1	-160.8	6.4	0	0	0	107.5	L668	N666-L668 PolarHBondContact O-N 3.35Å
667	P	33.2	Very low	29.2	Very low	111 Å²	111	148.1 Å²	148.1	72%	0.721	79%	0.792	S	S	*	*			trans	-88.9	93.5	-158.4	32.6	-35.4	0	0	0	113.3
668	L	32	Very low	29.5	Very low	149 Å²	149	147.1 Å²	147.1	78%	0.78	79%	0.791	S	S	*	*			trans	-151.7	57.5	-178.1	-115.8	174	0	0	0	116.5	N666	N666-L668 PolarHBondContact O-N 3.35Å
669	N	28.8	Very low	30.7	Very low	154 Å²	154	142.9 Å²	142.9	82%	0.824	77%	0.774	S	S	*	*			trans	172.6	147	136.3	-96.9	-48.5	0	0	0	112.2
670	P	31.9	Very low	32.6	Very low	105 Å²	105	139.9 Å²	139.9	68%	0.682	75%	0.753	S	S	*	*			trans	-86.1	173.8	175.1	36.4	-35.7	0	0	0	113.1
671	T	25.6	Very low	35.1	Very low	129 Å²	129	134.3 Å²	134.3	79%	0.791	73%	0.732	S	S	*	*			trans	84.4	86.7	171.9	-31.2	0	0	0	0	116.2
672	I	30.3	Very low	37.8	Very low	132 Å²	132	129.7 Å²	129.7	68%	0.677	71%	0.708	S	S	*	*			trans	-153.9	136.1	144.2	-97	144.6	0	0	0	107	Y674	I672-Y674 HydrophobicContact CG2-CD2 4.19Å; I672-Y674 HydrophobicContact CG2-CE2 3.71Å
673	N	25.3	Very low	40.9	Very low	160 Å²	160	127.6 Å²	127.6	86%	0.856	71%	0.705	S	S	*	*			trans	-77.9	131.5	177.5	-67.5	-15.1	0	0	0	110.4
674	Y	28.3	Very low	43.7	Very low	203 Å²	203	119.9 Å²	119.9	80%	0.796	67%	0.669	S	S	*	*			trans	-108.6	144.3	165.9	-73.5	-81.2	0	0	0	110.5	I672	I672-Y674 HydrophobicContact CG2-CD2 4.19Å; I672-Y674 HydrophobicContact CG2-CE2 3.71Å
675	P	27.2	Very low	46.8	Very low	116 Å²	116	116.3 Å²	116.3	75%	0.753	65%	0.649	S	S	*	*			trans	-74.9	157	-175	31.2	-35.8	0	0	0	112.6	T677	P675-T677 PolarHBondContact O-N 2.89Å; P675-T677 VanDerWaalsContact O-N 3.07Å
676	S	25.5	Very low	49.8	Very low	123 Å²	123	106.9 Å²	106.9	86%	0.86	61%	0.608	S	S	*	*			trans	-71.4	97.2	-173.4	56.1	0	0	0	0	114
677	T	30.6	Very low	52.9	Low	122 Å²	122	103 Å²	103	75%	0.748	59%	0.587	S	S	*	*			trans	-83.3	143.3	136.2	46.8	0	0	0	0	108.6	P675 S679	P675-T677 PolarHBondContact O-N 2.89Å; P675-T677 VanDerWaalsContact O-N 3.07Å; T677-S679 PolarHBondContact O-N 2.84Å
678	I	36.1	Very low	55.9	Low	160 Å²	160	97.8 Å²	97.8	82%	0.821	55%	0.553	S	S	*	*			trans	-65.7	108.3	172.1	-61.3	174.2	0	0	0	107.1	D680	I678-D680 PolarHBondContact O-N 2.9Å
679	S	50.6	Low	59	Low	78 Å²	78	90.7 Å²	90.7	55%	0.545	52%	0.516	S	S	.	.			trans	-92.9	98.2	-178.2	-175.5	0	0	0	0	109.1	T677 S681	T677-S679 PolarHBondContact O-N 2.84Å; S679-S681 PolarHBondContact O-N 3.06Å; S679-S681 VanDerWaalsContact O-N 3.16Å; S679-S681 PolarHBondContact OG-N 3.17Å; S679-S681 PolarHBondContact OG-O 3.05Å
680	D	70.8	Confident	62.3	Low	85 Å²	85	83.4 Å²	83.4	46%	0.455	48%	0.477	S	S	.	.			trans	-67.4	-3.6	166.5	-54.4	-31.1	0	0	0	111.9	P618 V626 I678	P618-D680 VanDerWaalsContact CD-O 3.23Å; P618-D680 WeakPolarHBondContact CD-O 3.46Å; P618-D680 HydrophobicContact CG-CB 4.03Å; V626-D680 WeakPolarHBondContact CG2-O 3.49Å; I678-D680 PolarHBondContact O-N 2.9Å
681	S	81.3	Confident	65.4	Low	44 Å²	44	78.4 Å²	78.4	31%	0.308	45%	0.445	S	S	.	.			trans	-89.4	123	170.4	-179	0	0	0	0	110.6	C615 S679	C615-S681 PolarHBondContact SG-OG 3.36Å; S679-S681 PolarHBondContact O-N 3.06Å; S679-S681 VanDerWaalsContact O-N 3.16Å; S679-S681 PolarHBondContact OG-N 3.17Å; S679-S681 PolarHBondContact OG-O 3.05Å
682	V	86.8	Confident	68.8	Low	29 Å²	29	72.2 Å²	72.2	18%	0.176	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.3	-177.4	171.4	0	0	0	0	108.8	C615 S616 V626 G629	C615-V682 VanDerWaalsContact CA-O 3.31Å; C615-V682 WeakPolarHBondContact CA-O 3.33Å; C615-V682 PolarHBondContact SG-O 3.36Å; S616-V682 PolarHBondContact N-O 3.02Å; S616-V682 PolarHBondContact O-N 3.19Å; V626-V682 HydrophobicContact CB-CG2 4.49Å; V626-V682 HydrophobicContact CG1-CB 3.58Å; V626-V682 HydrophobicContact CG1-CG1 4.01Å; V626-V682 HydrophobicContact CG1-CG2 3.8Å; V626-V682 HydrophobicContact CG2-CB 4.43Å; V626-V682 HydrophobicContact CG2-CG2 3.99Å; G629-V682 WeakPolarHBondContact O-CG1 3.01Å
683	S	90.8	Very high	71.9	Confident	98 Å²	98	67.7 Å²	67.7	69%	0.685	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	141.3	174.9	-52.6	0	0	0	0	111.2	G614	G614-S683 CarbonylContact O-C 3.49Å; G614-S683 VanDerWaalsContact O-CA 3.3Å; G614-S683 WeakPolarHBondContact O-CA 3.33Å
684	F	92.2	Very high	75	Confident	10 Å²	10	60.8 Å²	60.8	4%	0.044	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.7	176.7	58.3	-101.2	0	0	0	111.5	I537 D539 F545 I605 G614 C615 S628 I686	I537-F684 HydrophobicContact CD1-CE2 4.5Å; I537-F684 HydrophobicContact CD1-CZ 4.48Å; I537-F684 HydrophobicContact CG2-CE2 4.12Å; D539-F684 HydrophobicContact CB-CB 4.12Å; F545-F684 HydrophobicContact CE2-CD1 4.44Å; F545-F684 AromaticContact CE2-CE1 3.76Å; F545-F684 HydrophobicContact CE2-CE1 3.76Å; F545-F684 HydrophobicContact CE2-CE2 4.19Å; F545-F684 AromaticContact CE2-CZ 3.63Å; F545-F684 HydrophobicContact CE2-CZ 3.63Å; F545-F684 AromaticContact CZ-CD1 3.86Å; F545-F684 HydrophobicContact CZ-CD1 3.86Å; F545-F684 AromaticContact CZ-CD2 3.91Å; F545-F684 HydrophobicContact CZ-CD2 3.91Å; F545-F684 AromaticContact CZ-CE1 3.59Å; F545-F684 HydrophobicContact CZ-CE1 3.59Å; F545-F684 AromaticContact CZ-CE2 3.66Å; F545-F684 HydrophobicContact CZ-CE2 3.66Å; F545-F684 HydrophobicContact CZ-CG 4.02Å; F545-F684 AromaticContact CZ-CZ 3.5Å; F545-F684 HydrophobicContact CZ-CZ 3.5Å; I605-F684 HydrophobicContact CG2-CZ 4.41Å; G614-F684 VanDerWaalsContact CA-CE2 3.49Å; G614-F684 PolarHBondContact N-O 2.84Å; G614-F684 PolarHBondContact O-N 3.46Å; C615-F684 VanDerWaalsContact N-CE1 3.31Å; S628-F684 VanDerWaalsContact OG-CB 3.29Å; S628-F684 WeakPolarHBondContact OG-CB 3.31Å; F684-I686 HydrophobicContact CD2-CG1 3.98Å; F684-I686 HydrophobicContact CE2-CD1 4.18Å; F684-I686 HydrophobicContact CE2-CG1 3.7Å
685	I	93	Very high	77.6	Confident	78 Å²	78	54.3 Å²	54.3	40%	0.4	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.9	170.3	-56.5	177.2	0	0	0	107.1	D539 T540 K612 Y613	D539-I685 CarbonylContact C-O 3.55Å; D539-I685 WeakPolarHBondContact CA-O 3.3Å; D539-I685 WeakPolarHBondContact CB-O 3.4Å; T540-I685 HydrophobicContact CG2-CB 3.86Å; T540-I685 HydrophobicContact CG2-CG2 3.68Å; T540-I685 PolarHBondContact N-O 2.82Å; K612-I685 CarbonylContact O-C 3.59Å; K612-I685 WeakPolarHBondContact O-CA 3.34Å; K612-I685 WeakPolarHBondContact O-CG2 3.4Å; Y613-I685 HydrophobicContact CD1-CG1 4.38Å; Y613-I685 HydrophobicContact CE1-CG1 4.38Å
686	I	95	Very high	79.8	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.051	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.7	177.9	-64.2	172.4	0	0	0	108.5	I537 F607 L611 K612 F684 F689	I537-I686 HydrophobicContact CG2-CG1 4.02Å; I537-I686 HydrophobicContact CG2-CG2 4.44Å; F607-I686 HydrophobicContact CB-CD1 3.83Å; F607-I686 HydrophobicContact CG-CD1 4.47Å; L611-I686 WeakPolarHBondContact O-CB 3.42Å; L611-I686 WeakPolarHBondContact O-CG2 3.49Å; K612-I686 PolarHBondContact O-N 2.95Å; F684-I686 HydrophobicContact CD2-CG1 3.98Å; F684-I686 HydrophobicContact CE2-CD1 4.18Å; F684-I686 HydrophobicContact CE2-CG1 3.7Å; I686-F689 HydrophobicContact CD1-CD2 4.5Å; I686-F689 HydrophobicContact CG2-CB 4.01Å
687	D	95.1	Very high	81.2	Confident	67 Å²	67	52.8 Å²	52.8	36%	0.358	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-40.4	172.6	176.7	72.5	0	0	0	110.5	Y517 R538 T540	Y517-D687 PolarHBondContact OH-O 3.24Å; R538-D687 HydrophobicContact CG-CB 4.34Å; R538-D687 IonicContact CZ-OD2 3.69Å; R538-D687 IonicContact NE-OD2 2.82Å; R538-D687 PolarHBondContact NE-OD2 3.31Å; R538-D687 IonicContact NH2-OD2 2.73Å; R538-D687 PolarHBondContact O-N 2.9Å; T540-D687 HydrophobicContact CG2-CB 3.99Å
688	T	96.7	Very high	83.8	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	140.3	177.8	-46.6	0	0	0	0	110.5	I484 E513 R538 E690	I484-T688 HydrophobicContact CD1-CG2 3.98Å; I484-T688 HydrophobicContact CG1-CG2 3.91Å; E513-T688 HydrophobicContact CG-CG2 4.23Å; R538-T688 PolarHBondContact N-O 3.45Å; R538-T688 PolarHBondContact NH2-OG1 2.85Å; R538-T688 PolarHBondContact O-N 3.17Å; R538-T688 VanDerWaalsContact O-N 3.15Å; T688-E690 HydrophobicContact CG2-CG 4.43Å
689	F	97.9	Very high	86.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.9	-176.2	179.3	-78.2	0	0	0	109.5	Y510 S512 V522 L535 I537 M553 F607 L611 I686 L691	Y510-F689 AromaticContact CD1-CD1 3.89Å; Y510-F689 HydrophobicContact CD1-CD1 3.89Å; Y510-F689 HydrophobicContact CD1-CE1 4.19Å; Y510-F689 AromaticContact CE1-CD1 3.98Å; Y510-F689 HydrophobicContact CE1-CD1 3.98Å; Y510-F689 HydrophobicContact CE1-CE1 4.43Å; S512-F689 PolarHBondContact N-O 3.37Å; S512-F689 PolarHBondContact OG-N 2.96Å; V522-F689 HydrophobicContact CG2-CE1 3.81Å; V522-F689 HydrophobicContact CG2-CZ 4.42Å; L535-F689 HydrophobicContact CD1-CD2 4.01Å; L535-F689 HydrophobicContact CD1-CE1 4.15Å; L535-F689 HydrophobicContact CD1-CE2 3.43Å; L535-F689 VanDerWaalsContact CD1-CE2 3.43Å; L535-F689 HydrophobicContact CD1-CZ 3.5Å; I537-F689 HydrophobicContact CD1-CD2 4.33Å; I537-F689 HydrophobicContact CD1-CE2 4.43Å; I537-F689 HydrophobicContact CG1-CD2 4.01Å; I537-F689 HydrophobicContact CG1-CE2 4.43Å; M553-F689 HydrophobicContact CE-CZ 4.43Å; M553-F689 HydrophobicContact SD-CZ 4.37Å; F607-F689 HydrophobicContact CD1-CE2 4.38Å; F607-F689 HydrophobicContact CD2-CE2 4.04Å; F607-F689 AromaticContact CE1-CE2 3.96Å; F607-F689 HydrophobicContact CE1-CE2 3.96Å; F607-F689 AromaticContact CE2-CE2 3.54Å; F607-F689 HydrophobicContact CE2-CE2 3.54Å; F607-F689 AromaticContact CE2-CZ 3.78Å; F607-F689 HydrophobicContact CE2-CZ 3.78Å; F607-F689 HydrophobicContact CG-CE2 4.42Å; F607-F689 AromaticContact CZ-CE2 3.51Å; F607-F689 HydrophobicContact CZ-CE2 3.51Å; F607-F689 AromaticContact CZ-CZ 3.75Å; F607-F689 HydrophobicContact CZ-CZ 3.75Å; L611-F689 HydrophobicContact CD1-CD1 4.05Å; L611-F689 HydrophobicContact CD1-CE1 4.24Å; L611-F689 HydrophobicContact CD1-CG 4.35Å; L611-F689 HydrophobicContact CD2-CD2 4.45Å; L611-F689 HydrophobicContact CD2-CE2 4.15Å; L611-F689 HydrophobicContact CD2-CZ 4.22Å; I686-F689 HydrophobicContact CD1-CD2 4.5Å; I686-F689 HydrophobicContact CG2-CB 4.01Å; F689-L691 HydrophobicContact CE1-CD1 3.76Å; F689-L691 HydrophobicContact CE1-CG 3.88Å; F689-L691 HydrophobicContact CZ-CD1 4.28Å; F689-L691 HydrophobicContact CZ-CG 4.39Å
690	E	98	Very high	88.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.3	-179.6	-54.6	-173.2	173.8	0	0	112.6	S482 G483 I484 Y510 K511 L536 T688 W692	S482-E690 WeakPolarHBondContact CB-OE2 3.48Å; S482-E690 VanDerWaalsContact OG-CD 3.26Å; S482-E690 PolarHBondContact OG-OE1 3.49Å; S482-E690 PolarHBondContact OG-OE2 2.98Å; G483-E690 WeakPolarHBondContact CA-OE1 3.45Å; G483-E690 PolarHBondContact N-OE1 2.84Å; I484-E690 HydrophobicContact CD1-CB 4.41Å; I484-E690 HydrophobicContact CD1-CG 3.82Å; I484-E690 HydrophobicContact CG1-CG 4.19Å; I484-E690 PolarHBondContact N-OE1 3.05Å; Y510-E690 CarbonylContact O-C 3.55Å; Y510-E690 VanDerWaalsContact O-CA 3.31Å; Y510-E690 WeakPolarHBondContact O-CA 3.43Å; K511-E690 HydrophobicContact CB-CG 4.39Å; K511-E690 HydrophobicContact CD-CG 4.44Å; K511-E690 HydrophobicContact CG-CB 4.33Å; K511-E690 HydrophobicContact CG-CG 3.93Å; L536-E690 HydrophobicContact CB-CB 4.34Å; L536-E690 PolarHBondContact N-O 2.92Å; L536-E690 PolarHBondContact O-N 3.2Å; T688-E690 HydrophobicContact CG2-CG 4.43Å; E690-W692 PolarHBondContact OE2-NE1 2.89Å
691	L	97.5	Very high	89.3	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.6	173.3	-68.3	162.9	0	0	0	110.2	I509 Y510 V522 V533 L534 L535 M549 M553 F689	I509-L691 WeakPolarHBondContact CA-O 2.96Å; I509-L691 HydrophobicContact CB-CB 4.14Å; I509-L691 WeakPolarHBondContact CB-O 3.36Å; I509-L691 HydrophobicContact CD1-CB 4.25Å; I509-L691 PolarHBondContact N-O 3.39Å; Y510-L691 PolarHBondContact N-O 3.2Å; Y510-L691 PolarHBondContact O-N 2.91Å; V522-L691 HydrophobicContact CB-CD1 4.43Å; V522-L691 HydrophobicContact CG1-CD1 3.42Å; V522-L691 VanDerWaalsContact CG1-CD1 3.42Å; V522-L691 HydrophobicContact CG2-CD1 4.26Å; V533-L691 HydrophobicContact CG1-CB 4.14Å; V533-L691 HydrophobicContact CG1-CD2 3.7Å; L534-L691 WeakPolarHBondContact O-CA 3.33Å; L535-L691 HydrophobicContact CB-CD2 3.86Å; L535-L691 HydrophobicContact CD1-CD2 3.83Å; L535-L691 HydrophobicContact CD1-CG 4.44Å; L535-L691 HydrophobicContact CG-CD2 4.43Å; M549-L691 HydrophobicContact CE-CD2 3.72Å; M553-L691 HydrophobicContact SD-CD1 3.61Å; M553-L691 HydrophobicContact SD-CD2 3.66Å; M553-L691 HydrophobicContact SD-CG 4.27Å; F689-L691 HydrophobicContact CE1-CD1 3.76Å; F689-L691 HydrophobicContact CE1-CG 3.88Å; F689-L691 HydrophobicContact CZ-CD1 4.28Å; F689-L691 HydrophobicContact CZ-CG 4.39Å
692	W	96	Very high	89.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.3	-180	-61.5	80.2	0	0	0	110.4	L477 N478 G480 L506 N507 S508 K511 V533 L534 E690	L477-W692 HydrophobicContact CB-CH2 4.11Å; L477-W692 HydrophobicContact CB-CZ3 3.88Å; L477-W692 HydrophobicContact CD1-CH2 4.18Å; L477-W692 HydrophobicContact CD2-CE3 4.05Å; L477-W692 HydrophobicContact CD2-CH2 4.14Å; L477-W692 HydrophobicContact CD2-CZ3 3.83Å; L477-W692 HydrophobicContact CG-CH2 4.37Å; L477-W692 HydrophobicContact CG-CZ3 4.31Å; N478-W692 WeakPolarHBondContact O-CZ3 3.3Å; G480-W692 WeakPolarHBondContact O-CH2 3.42Å; L506-W692 HydrophobicContact CB-CB 4.14Å; L506-W692 HydrophobicContact CB-CD2 4.39Å; L506-W692 HydrophobicContact CB-CE3 3.89Å; L506-W692 HydrophobicContact CD2-CB 4.08Å; N507-W692 CarbonylContact O-C 3.56Å; N507-W692 WeakPolarHBondContact O-CA 3.32Å; S508-W692 VanDerWaalsContact N-CE3 3.33Å; K511-W692 HydrophobicContact CD-CZ2 4.19Å; V533-W692 CarbonylContact C-O 3.48Å; V533-W692 WeakPolarHBondContact CA-O 3.38Å; L534-W692 HydrophobicContact CB-CB 4.3Å; L534-W692 PolarHBondContact N-O 3.15Å; L534-W692 PolarHBondContact O-N 2.83Å; E690-W692 PolarHBondContact OE2-NE1 2.89Å
693	Q	94.8	Very high	90	Very high	37 Å²	37	39.3 Å²	39.3	17%	0.173	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.5	172.9	-175.8	-173.6	24.3	0	0	109.2	L506 N507 I509 V529 E530 I695	L506-Q693 WeakPolarHBondContact CA-O 3.2Å; N507-Q693 HydrophobicContact CB-CB 4.3Å; N507-Q693 PolarHBondContact N-O 2.56Å; N507-Q693 PolarHBondContact ND2-OE1 2.62Å; N507-Q693 PolarHBondContact O-N 3.48Å; I509-Q693 HydrophobicContact CD1-CB 3.93Å; I509-Q693 HydrophobicContact CG1-CB 3.96Å; V529-Q693 HydrophobicContact CG1-CB 4.16Å; V529-Q693 HydrophobicContact CG1-CG 3.89Å; E530-Q693 PolarHBondContact O-NE2 3.39Å; Q693-I695 HydrophobicContact CG-CG1 4.08Å
694	L	90.6	Very high	90	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.073	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.9	169.9	-74.3	74.2	0	0	0	108.6	F497 W501 L506 S532 L534 V548	F497-L694 HydrophobicContact CE1-CD2 4.22Å; F497-L694 HydrophobicContact CZ-CD2 4.18Å; W501-L694 HydrophobicContact CB-CD2 3.99Å; W501-L694 HydrophobicContact CD2-CD2 3.33Å; W501-L694 HydrophobicContact CE3-CD2 3.39Å; W501-L694 HydrophobicContact CG-CD2 3.56Å; W501-L694 HydrophobicContact CZ3-CD2 4.2Å; L506-L694 HydrophobicContact CD2-CD1 4Å; L506-L694 HydrophobicContact CD2-CG 3.91Å; S532-L694 PolarHBondContact O-N 3.46Å; L534-L694 HydrophobicContact CB-CD1 3.79Å; V548-L694 HydrophobicContact CG1-CD1 4.03Å; V548-L694 HydrophobicContact CG1-CD2 4.1Å
695	I	84.4	Confident	89.8	Confident	68 Å²	68	37.1 Å²	37.1	35%	0.349	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.8	177.2	-57	-176.3	0	0	0	108	S504 N505 N507 Q693	S504-I695 CarbonylContact C-O 3.6Å; S504-I695 WeakPolarHBondContact CA-O 3.28Å; S504-I695 WeakPolarHBondContact CB-O 3.32Å; N505-I695 PolarHBondContact N-O 2.73Å; N505-I695 PolarHBondContact O-N 3.17Å; N507-I695 HydrophobicContact CB-CD1 3.54Å; N507-I695 HydrophobicContact CB-CG1 4.19Å; Q693-I695 HydrophobicContact CG-CG1 4.08Å
696	S	71.7	Confident	89.5	Confident	71 Å²	71	33.7 Å²	33.7	50%	0.497	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.1	170.7	-57.2	0	0	0	0	111	S504	S504-S696 WeakPolarHBondContact OG-CA 3.31Å; S504-S696 PolarHBondContact OG-N 2.76Å; S504-S696 PolarHBondContact OG-OG 2.72Å
697	C	56.5	Low	89	Confident	135 Å²	135	35.8 Å²	35.8	91%	0.912	22%	0.216	S	C	*	.			trans	-87.2	0	175.9	-54.6	0	0	0	0	112.3	S503 N505	S503-C697 PolarHBondContact O-SG 2.89Å; N505-C697 PolarHBondContact ND2-SG 3.24Å

Retrieved 697 of 697 residues in 693.4 ms (Link to these results)

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