A0A3Q0KGB4_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 739 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	45.6	Very low	52.2	Low	235 Å²	235	136.3 Å²	136.3	100%	1.158	68%	0.675	S	S	*	*				0	-7	0	-70.4	173.6	116.3	0	0	114.6	Y3	M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 2.78Å; M1-Y3 VanDerWaalsContact O-N 3.13Å
2	S	46.4	Very low	52.6	Low	107 Å²	107	127.5 Å²	127.5	75%	0.748	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-22.5	-170.4	-55.2	0	0	0	0	117.8	G4	S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.08Å
3	Y	48.3	Very low	52.7	Low	219 Å²	219	128.7 Å²	128.7	86%	0.859	64%	0.644	S	S	*	*	H	α-helix	trans	-70.7	-15.9	-174.5	-76.7	-79.7	0	0	0	114.9	M1	M1-Y3 VanDerWaalsContact C-N 3.33Å; M1-Y3 PolarHBondContact O-N 2.78Å; M1-Y3 VanDerWaalsContact O-N 3.13Å
4	G	52.6	Low	52.9	Low	44 Å²	44	126.4 Å²	126.4	45%	0.454	63%	0.633	S	S	.	*	H	α-helix	trans	-72.7	-44.1	-179.9	0	0	0	0	0	114.2	S2 H6	S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.08Å; G4-H6 VanDerWaalsContact C-N 3.32Å; G4-H6 PolarHBondContact O-N 3.35Å
5	L	52.4	Low	53	Low	114 Å²	114	124.6 Å²	124.6	60%	0.597	63%	0.625	S	S	*	*	H	α-helix	trans	-66.9	-32.3	-175.8	-90.2	74.8	0	0	0	112.5	Q7 I8 F9	L5-Q7 PolarHBondContact O-N 3.05Å; L5-I8 PolarHBondContact O-N 3.12Å; L5-I8 VanDerWaalsContact O-N 3.15Å; L5-F9 PolarHBondContact O-N 3.15Å
6	H	49.3	Very low	53	Low	126 Å²	126	121.4 Å²	121.4	58%	0.583	61%	0.614	S	S	*	*	H	α-helix	trans	-63.6	-38.1	-176.2	-160.6	-69	0	0	0	112.4	G4 Q10	G4-H6 VanDerWaalsContact C-N 3.32Å; G4-H6 PolarHBondContact O-N 3.35Å; H6-Q10 WeakPolarHBondContact O-CB 3.12Å; H6-Q10 PolarHBondContact O-N 2.76Å
7	Q	51.8	Low	52.8	Low	131 Å²	131	119.7 Å²	119.7	61%	0.612	61%	0.606	S	S	*	*	H	α-helix	trans	-69.2	-34.1	174.7	-78.7	-163.2	-2.7	0	0	112.9	L5 K11	L5-Q7 PolarHBondContact O-N 3.05Å; Q7-K11 WeakPolarHBondContact O-CB 3.37Å; Q7-K11 WeakPolarHBondContact O-CG 3.39Å; Q7-K11 PolarHBondContact O-N 2.89Å
8	I	58.8	Low	52.4	Low	124 Å²	124	123.2 Å²	123.2	64%	0.636	61%	0.612	S	S	*	*	H	α-helix	trans	-69.7	-45.7	177.8	-61	174.3	0	0	0	109.8	L5 G12	L5-I8 PolarHBondContact O-N 3.12Å; L5-I8 VanDerWaalsContact O-N 3.15Å; I8-G12 PolarHBondContact O-N 3.08Å
9	F	55	Low	52.1	Low	151 Å²	151	122.2 Å²	122.2	66%	0.662	61%	0.608	S	S	*	*	H	α-helix	trans	-63.2	-40.9	173.2	-93.5	-86.4	0	0	0	112.3	L5 G12 F13	L5-F9 PolarHBondContact O-N 3.15Å; F9-G12 PolarHBondContact O-N 3.49Å; F9-F13 WeakPolarHBondContact O-CB 3.49Å; F9-F13 PolarHBondContact O-N 3.23Å
10	Q	53.5	Low	51.5	Low	110 Å²	110	126.2 Å²	126.2	51%	0.514	62%	0.617	S	S	.	*	H	α-helix	trans	-68.8	-40.4	-179.9	-163.3	169.2	12.9	0	0	112.1	H6 I14	H6-Q10 WeakPolarHBondContact O-CB 3.12Å; H6-Q10 PolarHBondContact O-N 2.76Å; Q10-I14 HydrophobicContact CG-CD1 4.38Å; Q10-I14 WeakPolarHBondContact O-CB 3.48Å; Q10-I14 WeakPolarHBondContact O-CD1 3.23Å; Q10-I14 WeakPolarHBondContact O-CG1 3.47Å; Q10-I14 PolarHBondContact O-N 2.85Å
11	K	60.8	Low	51.1	Low	138 Å²	138	124.6 Å²	124.6	60%	0.6	62%	0.615	S	S	*	*	H	α-helix	trans	-67	-42.2	171.5	-74.7	-179.1	176	179.6	0	112.1	Q7 I14 I15	Q7-K11 WeakPolarHBondContact O-CB 3.37Å; Q7-K11 WeakPolarHBondContact O-CG 3.39Å; Q7-K11 PolarHBondContact O-N 2.89Å; K11-I14 PolarHBondContact O-N 3.37Å; K11-I15 WeakPolarHBondContact O-CB 3.19Å; K11-I15 VanDerWaalsContact O-CG1 3.28Å; K11-I15 WeakPolarHBondContact O-CG1 3.33Å; K11-I15 PolarHBondContact O-N 2.64Å
12	G	57.2	Low	50.7	Low	31 Å²	31	119.7 Å²	119.7	32%	0.32	59%	0.592	S	S	.	*	H	α-helix	trans	-60.9	-44	175.4	0	0	0	0	0	112.4	I8 F9 I15 V16	I8-G12 PolarHBondContact O-N 3.08Å; F9-G12 PolarHBondContact O-N 3.49Å; G12-I15 PolarHBondContact O-N 3.23Å; G12-V16 WeakPolarHBondContact O-CB 3.5Å; G12-V16 VanDerWaalsContact O-CG2 3.3Å; G12-V16 WeakPolarHBondContact O-CG2 3.42Å; G12-V16 PolarHBondContact O-N 3.25Å
13	F	53.8	Low	50.3	Low	143 Å²	143	120.6 Å²	120.6	63%	0.627	59%	0.588	S	S	*	*	H	α-helix	trans	-70	-36	178.3	-157.2	-101	0	0	0	112.1	F9 V16 L17	F9-F13 WeakPolarHBondContact O-CB 3.49Å; F9-F13 PolarHBondContact O-N 3.23Å; F13-V16 PolarHBondContact O-N 3.25Å; F13-L17 HydrophobicContact CD1-CD1 3.73Å; F13-L17 HydrophobicContact CE1-CD1 3.48Å; F13-L17 VanDerWaalsContact CE1-CD1 3.48Å; F13-L17 HydrophobicContact CG-CD1 4.4Å; F13-L17 HydrophobicContact CZ-CD1 3.97Å; F13-L17 WeakPolarHBondContact O-CB 3.2Å; F13-L17 WeakPolarHBondContact O-CD1 3.36Å; F13-L17 PolarHBondContact O-N 2.98Å
14	I	55.2	Low	49.8	Very low	97 Å²	97	114.7 Å²	114.7	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-62.6	-43.5	170.3	-72.5	164.8	0	0	0	111	Q10 K11 L17 Y18	Q10-I14 HydrophobicContact CG-CD1 4.38Å; Q10-I14 WeakPolarHBondContact O-CB 3.48Å; Q10-I14 WeakPolarHBondContact O-CD1 3.23Å; Q10-I14 WeakPolarHBondContact O-CG1 3.47Å; Q10-I14 PolarHBondContact O-N 2.85Å; K11-I14 PolarHBondContact O-N 3.37Å; I14-L17 PolarHBondContact O-N 3.01Å; I14-Y18 HydrophobicContact CG2-CD2 4.5Å; I14-Y18 WeakPolarHBondContact O-CB 3.42Å; I14-Y18 PolarHBondContact O-N 3.09Å
15	I	54.9	Low	49.7	Very low	99 Å²	99	118.4 Å²	118.4	51%	0.508	58%	0.583	S	S	.	*	H	α-helix	trans	-67.3	-41.6	177.7	-70.3	165.2	0	0	0	111.1	K11 G12 Y18 I19	K11-I15 WeakPolarHBondContact O-CB 3.19Å; K11-I15 VanDerWaalsContact O-CG1 3.28Å; K11-I15 WeakPolarHBondContact O-CG1 3.33Å; K11-I15 PolarHBondContact O-N 2.64Å; G12-I15 PolarHBondContact O-N 3.23Å; I15-Y18 PolarHBondContact O-N 2.98Å; I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.49Å; I15-I19 WeakPolarHBondContact O-CB 3.23Å; I15-I19 VanDerWaalsContact O-CG1 3.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 3.29Å
16	V	53.4	Low	50.2	Low	74 Å²	74	120.9 Å²	120.9	45%	0.448	59%	0.589	S	S	.	*	H	α-helix	trans	-66.8	-38.4	176.5	170.4	0	0	0	0	111.5	G12 F13 I19 Y20	G12-V16 WeakPolarHBondContact O-CB 3.5Å; G12-V16 VanDerWaalsContact O-CG2 3.3Å; G12-V16 WeakPolarHBondContact O-CG2 3.42Å; G12-V16 PolarHBondContact O-N 3.25Å; F13-V16 PolarHBondContact O-N 3.25Å; V16-I19 PolarHBondContact O-N 3.18Å; V16-Y20 HydrophobicContact CG1-CD2 4.13Å; V16-Y20 WeakPolarHBondContact O-CB 3.49Å; V16-Y20 PolarHBondContact O-N 3.25Å
17	L	48	Very low	51.4	Low	92 Å²	92	115.9 Å²	115.9	48%	0.482	57%	0.568	S	S	.	*	H	α-helix	trans	-62.5	-44.8	169	-103.7	71.2	0	0	0	111.5	F13 I14 I19 Y20 V21	F13-L17 HydrophobicContact CD1-CD1 3.73Å; F13-L17 HydrophobicContact CE1-CD1 3.48Å; F13-L17 VanDerWaalsContact CE1-CD1 3.48Å; F13-L17 HydrophobicContact CG-CD1 4.4Å; F13-L17 HydrophobicContact CZ-CD1 3.97Å; F13-L17 WeakPolarHBondContact O-CB 3.2Å; F13-L17 WeakPolarHBondContact O-CD1 3.36Å; F13-L17 PolarHBondContact O-N 2.98Å; I14-L17 PolarHBondContact O-N 3.01Å; L17-I19 PolarHBondContact O-N 2.9Å; L17-Y20 PolarHBondContact O-N 2.98Å; L17-V21 WeakPolarHBondContact O-CB 3.48Å; L17-V21 VanDerWaalsContact O-CG2 3.23Å; L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.76Å
18	Y	46.1	Very low	52.7	Low	182 Å²	182	113 Å²	113	71%	0.714	56%	0.559	S	S	*	*	H	α-helix	trans	-61.7	-31.6	177.9	-115.1	-90.2	0	0	0	112.8	I14 I15 I22	I14-Y18 HydrophobicContact CG2-CD2 4.5Å; I14-Y18 WeakPolarHBondContact O-CB 3.42Å; I14-Y18 PolarHBondContact O-N 3.09Å; I15-Y18 PolarHBondContact O-N 2.98Å; Y18-I22 WeakPolarHBondContact O-CG1 3.44Å
19	I	46.4	Very low	54	Low	104 Å²	104	107.8 Å²	107.8	53%	0.533	53%	0.534	S	S	.	.	H	α-helix	trans	-81.5	-34.5	177.4	-69.1	169.4	0	0	0	111.8	I15 V16 L17 V21 I22	I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.49Å; I15-I19 WeakPolarHBondContact O-CB 3.23Å; I15-I19 VanDerWaalsContact O-CG1 3.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 3.29Å; V16-I19 PolarHBondContact O-N 3.18Å; L17-I19 PolarHBondContact O-N 2.9Å; I19-V21 VanDerWaalsContact C-N 3.26Å; I19-V21 PolarHBondContact O-N 3.2Å; I19-I22 HydrophobicContact CG1-CD1 4.48Å; I19-I22 WeakPolarHBondContact O-CG1 3.24Å; I19-I22 PolarHBondContact O-N 3.21Å
20	Y	41.7	Very low	55.4	Low	203 Å²	203	104.5 Å²	104.5	80%	0.796	52%	0.522	S	S	*	.	H	α-helix	trans	-78.8	-2.9	173.7	-97.4	-86.9	0	0	0	114.7	V16 L17	V16-Y20 HydrophobicContact CG1-CD2 4.13Å; V16-Y20 WeakPolarHBondContact O-CB 3.49Å; V16-Y20 PolarHBondContact O-N 3.25Å; L17-Y20 PolarHBondContact O-N 2.98Å
21	V	42.5	Very low	56.8	Low	92 Å²	92	105.3 Å²	105.3	56%	0.558	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	4.3	172.5	171.6	0	0	0	0	111.9	L17 I19 D23 C24	L17-V21 WeakPolarHBondContact O-CB 3.48Å; L17-V21 VanDerWaalsContact O-CG2 3.23Å; L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.76Å; I19-V21 VanDerWaalsContact C-N 3.26Å; I19-V21 PolarHBondContact O-N 3.2Å; V21-D23 VanDerWaalsContact C-N 3.29Å; V21-D23 PolarHBondContact O-N 2.88Å; V21-D23 VanDerWaalsContact O-N 3.11Å; V21-C24 PolarHBondContact O-N 3.1Å
22	I	37.8	Very low	57.7	Low	132 Å²	132	104.5 Å²	104.5	68%	0.677	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	56.2	178.9	-42.7	-179.7	0	0	0	112.2	Y18 I19	Y18-I22 WeakPolarHBondContact O-CG1 3.44Å; I19-I22 HydrophobicContact CG1-CD1 4.48Å; I19-I22 WeakPolarHBondContact O-CG1 3.24Å; I19-I22 PolarHBondContact O-N 3.21Å
23	D	36.5	Very low	58.8	Low	126 Å²	126	107.9 Å²	107.9	67%	0.674	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.7	43.6	138.1	-158.9	11.2	0	0	0	111.6	V21 Q25	V21-D23 VanDerWaalsContact C-N 3.29Å; V21-D23 PolarHBondContact O-N 2.88Å; V21-D23 VanDerWaalsContact O-N 3.11Å; D23-Q25 VanDerWaalsContact C-N 3.34Å; D23-Q25 PolarHBondContact O-N 3Å; D23-Q25 WeakPolarHBondContact OD1-CG 3.38Å; D23-Q25 PolarHBondContact OD1-NE2 2.85Å
24	C	38.5	Very low	59.7	Low	95 Å²	95	109 Å²	109	64%	0.642	54%	0.54	S	S	*	.			trans	-83.7	83.7	163	-75.1	0	0	0	0	109.4	V21 K26	V21-C24 PolarHBondContact O-N 3.1Å; C24-K26 PolarHBondContact O-N 3.18Å
25	Q	51.4	Low	61.3	Low	122 Å²	122	106.2 Å²	106.2	57%	0.57	53%	0.529	S	S	*	.			trans	-55.2	136.4	162	-59.7	-172.9	30	0	0	108.2	D23 E42	D23-Q25 VanDerWaalsContact C-N 3.34Å; D23-Q25 PolarHBondContact O-N 3Å; D23-Q25 WeakPolarHBondContact OD1-CG 3.38Å; D23-Q25 PolarHBondContact OD1-NE2 2.85Å; Q25-E42 HydrophobicContact CB-CG 4.33Å
26	K	62.5	Low	63	Low	166 Å²	166	102.9 Å²	102.9	72%	0.722	51%	0.514	S	S	*	.			trans	-103.5	150.7	179.6	-70.9	-175.9	177.3	-179.3	0	109.1	C24 T28	C24-K26 PolarHBondContact O-N 3.18Å; K26-T28 WeakPolarHBondContact O-CG2 3.45Å; K26-T28 PolarHBondContact O-N 2.96Å; K26-T28 VanDerWaalsContact O-N 3.13Å; K26-T28 PolarHBondContact O-OG1 2.75Å
27	T	74	Confident	64.7	Low	22 Å²	22	99.4 Å²	99.4	14%	0.135	49%	0.492	C	S	.	.			trans	-44.4	121.4	165.6	-25.5	0	0	0	0	109.5	L39 V40 L41 D45 L52 L55	T27-L39 HydrophobicContact CG2-CD1 3.96Å; T27-V40 VanDerWaalsContact CG2-O 3.31Å; T27-V40 WeakPolarHBondContact CG2-O 3.35Å; T27-L41 HydrophobicContact CG2-CD2 3.87Å; T27-D45 WeakPolarHBondContact CB-OD2 3.24Å; T27-D45 VanDerWaalsContact CG2-OD2 3.22Å; T27-D45 WeakPolarHBondContact CG2-OD2 3.36Å; T27-D45 VanDerWaalsContact OG1-CG 3.28Å; T27-D45 PolarHBondContact OG1-OD1 3.39Å; T27-D45 PolarHBondContact OG1-OD2 2.9Å; T27-L52 HydrophobicContact CG2-CD1 4.37Å; T27-L52 HydrophobicContact CG2-CD2 4.15Å; T27-L55 HydrophobicContact CG2-CD1 4.4Å
28	T	79.6	Confident	66.7	Low	70 Å²	70	95.8 Å²	95.8	43%	0.429	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141	-177.2	38.5	0	0	0	0	110.4	K26 V40	K26-T28 WeakPolarHBondContact O-CG2 3.45Å; K26-T28 PolarHBondContact O-N 2.96Å; K26-T28 VanDerWaalsContact O-N 3.13Å; K26-T28 PolarHBondContact O-OG1 2.75Å; T28-V40 PolarHBondContact N-O 2.99Å; T28-V40 PolarHBondContact O-N 3.11Å
29	C	85.2	Confident	68.7	Low	15 Å²	15	87.1 Å²	87.1	10%	0.101	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	103.4	171.3	-157.1	0	0	0	0	109.2	H31 E38 L39 L55 C56	C29-H31 PolarHBondContact O-CD2 3.39Å; C29-E38 CarbonylContact C-O 3.6Å; C29-E38 WeakPolarHBondContact CA-O 3.43Å; C29-L39 HydrophobicContact CB-CD1 4.23Å; C29-L55 HydrophobicContact CB-CB 4.06Å; C29-L55 WeakPolarHBondContact CB-O 3.15Å; C29-C56 HydrophobicContact CB-CB 4.01Å; C29-C56 WeakPolarHBondContact CB-SG 3.29Å; C29-C56 WeakPolarHBondContact SG-CA 3.06Å; C29-C56 WeakPolarHBondContact SG-CB 3.18Å; C29-C56 CovalentContact SG-SG 2.04Å; C29-C56 PolarHBondContact SG-SG 2.86Å
30	L	85	Confident	70.6	Confident	81 Å²	81	82.4 Å²	82.4	42%	0.424	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.8	179.3	-62.8	177.1	0	0	0	109.8	K32 A37 E38 V40	L30-K32 PolarHBondContact O-N 3.05Å; L30-A37 CarbonylContact O-C 3.59Å; L30-A37 WeakPolarHBondContact O-CA 3.26Å; L30-E38 HydrophobicContact CB-CB 4.47Å; L30-E38 PolarHBondContact N-O 3.12Å; L30-E38 PolarHBondContact O-N 3.41Å; L30-V40 HydrophobicContact CD1-CG2 3.8Å; L30-V40 HydrophobicContact CG-CG2 4.28Å
31	H	81.8	Confident	72.6	Confident	127 Å²	127	72.8 Å²	72.8	59%	0.588	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.2	177.2	-66	-112.9	0	0	0	109.9	C29	C29-H31 PolarHBondContact O-CD2 3.39Å
32	K	79.7	Confident	74.3	Confident	122 Å²	122	69.3 Å²	69.3	53%	0.53	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-33.5	173.4	-69.8	-177.2	179.4	172	0	112.3	L30 V36 E38	L30-K32 PolarHBondContact O-N 3.05Å; K32-V36 HydrophobicContact CB-CB 4.31Å; K32-V36 HydrophobicContact CB-CG1 4.08Å; K32-V36 PolarHBondContact N-O 3.05Å; K32-E38 WeakPolarHBondContact CE-OE2 3.42Å; K32-E38 IonicContact NZ-OE2 2.66Å; K32-E38 PolarHBondContact NZ-OE2 2.82Å
33	N	80	Confident	75.7	Confident	101 Å²	101	66.7 Å²	66.7	54%	0.54	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	173.3	175.4	-157.4	-17.2	0	0	0	110.2	S35 V36	N33-S35 PolarHBondContact O-N 3.07Å; N33-V36 HydrophobicContact CB-CB 4.14Å; N33-V36 HydrophobicContact CB-CG2 4.2Å; N33-V36 PolarHBondContact N-O 2.85Å; N33-V36 VanDerWaalsContact N-O 3.12Å; N33-V36 PolarHBondContact O-N 3.07Å; N33-V36 VanDerWaalsContact O-O 3.13Å
34	H	74.5	Confident	77.2	Confident	167 Å²	167	65.5 Å²	65.5	77%	0.773	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-14.1	-178.8	-75.7	-77.8	0	0	0	116.2	N59	H34-N59 PolarHBondContact O-ND2 2.03Å
35	S	86.8	Confident	78.7	Confident	39 Å²	39	62 Å²	62	27%	0.273	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	8.8	174.7	72.1	0	0	0	0	114.1	N33 S61 L62	N33-S35 PolarHBondContact O-N 3.07Å; S35-S61 WeakPolarHBondContact CB-OG 3.5Å; S35-S61 PolarHBondContact O-N 2.66Å; S35-S61 PolarHBondContact O-OG 2.94Å; S35-S61 PolarHBondContact OG-OG 3.27Å; S35-L62 PolarHBondContact O-N 3.4Å; S35-L62 VanDerWaalsContact O-N 3.1Å
36	V	91.1	Very high	79.6	Confident	29 Å²	29	59.7 Å²	59.7	18%	0.176	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.6	-176.4	-173.6	0	0	0	0	109.8	K32 N33 L62 F64	K32-V36 HydrophobicContact CB-CB 4.31Å; K32-V36 HydrophobicContact CB-CG1 4.08Å; K32-V36 PolarHBondContact N-O 3.05Å; N33-V36 HydrophobicContact CB-CB 4.14Å; N33-V36 HydrophobicContact CB-CG2 4.2Å; N33-V36 PolarHBondContact N-O 2.85Å; N33-V36 VanDerWaalsContact N-O 3.12Å; N33-V36 PolarHBondContact O-N 3.07Å; N33-V36 VanDerWaalsContact O-O 3.13Å; V36-L62 WeakPolarHBondContact CA-O 3.34Å; V36-L62 HydrophobicContact CG1-CB 4.5Å; V36-L62 HydrophobicContact CG1-CD1 4.42Å; V36-L62 HydrophobicContact CG2-CB 4.32Å; V36-F64 HydrophobicContact CG1-CD2 4.34Å; V36-F64 HydrophobicContact CG1-CE2 3.94Å
37	A	89.9	Confident	80	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.6	-177.7	0	0	0	0	0	111.5	L30 T60 L62 L63 F64	L30-A37 CarbonylContact O-C 3.59Å; L30-A37 WeakPolarHBondContact O-CA 3.26Å; A37-T60 HydrophobicContact CB-CG2 4.06Å; A37-L62 PolarHBondContact N-O 3.07Å; A37-L62 VanDerWaalsContact N-O 3.12Å; A37-L63 HydrophobicContact CB-CD1 4.11Å; A37-F64 PolarHBondContact O-N 3.2Å
38	E	89.9	Confident	80.1	Confident	17 Å²	17	54.2 Å²	54.2	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.2	173	177.5	170.5	-162.7	0	0	109.8	C29 L30 K32 V40 F64 T66	C29-E38 CarbonylContact C-O 3.6Å; C29-E38 WeakPolarHBondContact CA-O 3.43Å; L30-E38 HydrophobicContact CB-CB 4.47Å; L30-E38 PolarHBondContact N-O 3.12Å; L30-E38 PolarHBondContact O-N 3.41Å; K32-E38 WeakPolarHBondContact CE-OE2 3.42Å; K32-E38 IonicContact NZ-OE2 2.66Å; K32-E38 PolarHBondContact NZ-OE2 2.82Å; E38-V40 HydrophobicContact CG-CG2 4.18Å; E38-V40 PolarHBondContact O-N 2.85Å; E38-F64 CarbonylContact C-O 3.56Å; E38-F64 WeakPolarHBondContact CA-O 3.42Å; E38-F64 HydrophobicContact CB-CB 4.04Å; E38-F64 HydrophobicContact CG-CB 3.99Å; E38-T66 WeakPolarHBondContact OE1-CB 3.45Å; E38-T66 VanDerWaalsContact OE1-CG2 3.29Å; E38-T66 WeakPolarHBondContact OE1-CG2 3.19Å; E38-T66 PolarHBondContact OE1-OG1 2.93Å
39	L	88.5	Confident	79.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106.3	172.7	-178.9	65.5	0	0	0	109.1	T27 C29 L41 L52 L53 L55 L63 F64 I65 T66	T27-L39 HydrophobicContact CG2-CD1 3.96Å; C29-L39 HydrophobicContact CB-CD1 4.23Å; L39-L41 HydrophobicContact CD2-CD2 4.01Å; L39-L41 HydrophobicContact CG-CD2 4.01Å; L39-L52 HydrophobicContact CD2-CB 4.09Å; L39-L53 HydrophobicContact CD2-CD2 4.19Å; L39-L55 HydrophobicContact CD1-CD1 4.35Å; L39-L63 HydrophobicContact CB-CD1 4.3Å; L39-F64 PolarHBondContact N-O 3.1Å; L39-I65 HydrophobicContact CB-CG1 4.38Å; L39-I65 HydrophobicContact CD2-CG2 4.42Å; L39-I65 WeakPolarHBondContact O-CA 3.35Å; L39-T66 PolarHBondContact O-N 3.03Å
40	V	86.3	Confident	79.3	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.6	174.8	-179	0	0	0	0	108.4	T27 T28 L30 E38 Y68	T27-V40 VanDerWaalsContact CG2-O 3.31Å; T27-V40 WeakPolarHBondContact CG2-O 3.35Å; T28-V40 PolarHBondContact N-O 2.99Å; T28-V40 PolarHBondContact O-N 3.11Å; L30-V40 HydrophobicContact CD1-CG2 3.8Å; L30-V40 HydrophobicContact CG-CG2 4.28Å; E38-V40 HydrophobicContact CG-CG2 4.18Å; E38-V40 PolarHBondContact O-N 2.85Å; V40-Y68 HydrophobicContact CB-CE2 4.34Å; V40-Y68 HydrophobicContact CG1-CD2 3.57Å; V40-Y68 HydrophobicContact CG1-CE2 3.52Å; V40-Y68 HydrophobicContact CG2-CE2 3.8Å
41	L	83.7	Confident	78.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-89.5	129.8	178.8	-61.6	-177.9	0	0	0	111.6	T27 L39 I48 L52 I65 T66 R74 I97	T27-L41 HydrophobicContact CG2-CD2 3.87Å; L39-L41 HydrophobicContact CD2-CD2 4.01Å; L39-L41 HydrophobicContact CG-CD2 4.01Å; L41-I48 HydrophobicContact CD1-CD1 3.62Å; L41-I48 HydrophobicContact CD1-CG1 3.91Å; L41-I48 HydrophobicContact CD1-CG2 4.32Å; L41-I48 HydrophobicContact CD2-CG2 4.36Å; L41-L52 HydrophobicContact CD2-CD1 4.01Å; L41-I65 HydrophobicContact CD1-CG2 3.7Å; L41-I65 HydrophobicContact CD2-CG2 4.41Å; L41-I65 HydrophobicContact CG-CG2 3.88Å; L41-T66 PolarHBondContact N-O 3.33Å; L41-R74 PolarHBondContact O-NH2 3.37Å; L41-R74 VanDerWaalsContact O-NH2 3.14Å; L41-I97 HydrophobicContact CD1-CD1 3.81Å; L41-I97 HydrophobicContact CD1-CG1 4.45Å
42	E	77.9	Confident	78.7	Confident	20 Å²	20	55 Å²	55	9%	0.093	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-92.9	164.6	-176.5	-84.8	-59.6	155.2	0	0	113	Q25 T44 D45 R74	Q25-E42 HydrophobicContact CB-CG 4.33Å; E42-T44 PolarHBondContact O-N 3.48Å; E42-D45 PolarHBondContact N-OD2 2.84Å; E42-D45 PolarHBondContact O-N 2.86Å; E42-R74 VanDerWaalsContact O-CZ 3.29Å; E42-R74 PolarHBondContact O-NH1 2.9Å; E42-R74 PolarHBondContact O-NH2 2.97Å
43	S	67.9	Low	78.6	Confident	76 Å²	76	49.2 Å²	49.2	53%	0.531	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.1	-173.1	63.2	0	0	0	0	114.7
44	T	66.8	Low	78.6	Confident	101 Å²	101	49.8 Å²	49.8	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-24.1	176.5	45.8	0	0	0	0	114.7	E42 S46	E42-T44 PolarHBondContact O-N 3.48Å; T44-S46 PolarHBondContact O-N 2.66Å
45	D	69.8	Low	78.9	Confident	21 Å²	21	45.8 Å²	45.8	11%	0.112	25%	0.248	C	C	.	.			trans	-86.6	61.7	-159.5	-49.5	-23.2	0	0	0	111.8	T27 E42 I47 L52 R74	T27-D45 WeakPolarHBondContact CB-OD2 3.24Å; T27-D45 VanDerWaalsContact CG2-OD2 3.22Å; T27-D45 WeakPolarHBondContact CG2-OD2 3.36Å; T27-D45 VanDerWaalsContact OG1-CG 3.28Å; T27-D45 PolarHBondContact OG1-OD1 3.39Å; T27-D45 PolarHBondContact OG1-OD2 2.9Å; E42-D45 PolarHBondContact N-OD2 2.84Å; E42-D45 PolarHBondContact O-N 2.86Å; D45-I47 PolarHBondContact O-N 3.47Å; D45-L52 HydrophobicContact CB-CD1 4.45Å; D45-R74 PolarHBondContact O-NH1 3.23Å
46	S	70.3	Confident	78.8	Confident	75 Å²	75	44.4 Å²	44.4	52%	0.524	24%	0.238	S	C	.	.	S	Bend	trans	-61.6	-18.2	-179.1	56.1	0	0	0	0	114.4	T44 R74 V75	T44-S46 PolarHBondContact O-N 2.66Å; S46-R74 CarbonylContact O-C 3.57Å; S46-R74 WeakPolarHBondContact O-CA 3.43Å; S46-V75 PolarHBondContact O-N 2.84Å
47	I	72.1	Confident	78.4	Confident	72 Å²	72	44.6 Å²	44.6	37%	0.369	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.3	173.7	-44.9	175.9	0	0	0	109.1	D45 H49 V75	D45-I47 PolarHBondContact O-N 3.47Å; I47-H49 WeakPolarHBondContact CB-NE2 3.35Å; I47-H49 VanDerWaalsContact CG2-NE2 3.27Å; I47-H49 WeakPolarHBondContact CG2-NE2 3.46Å; I47-H49 PolarHBondContact O-N 3.46Å; I47-V75 CarbonylContact C-O 3.57Å; I47-V75 WeakPolarHBondContact CA-O 3.39Å; I47-V75 HydrophobicContact CG1-CB 4.41Å; I47-V75 HydrophobicContact CG2-CB 4.26Å; I47-V75 HydrophobicContact CG2-CG1 4.48Å; I47-V75 WeakPolarHBondContact CG2-O 3.39Å
48	I	75	Confident	77.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	98.8	-180	-39.6	176.4	0	0	0	107.8	L41 L52 R74 V75 L76 S77 F80 L99	L41-I48 HydrophobicContact CD1-CD1 3.62Å; L41-I48 HydrophobicContact CD1-CG1 3.91Å; L41-I48 HydrophobicContact CD1-CG2 4.32Å; L41-I48 HydrophobicContact CD2-CG2 4.36Å; I48-L52 HydrophobicContact CG2-CD1 4.22Å; I48-R74 HydrophobicContact CD1-CB 4.28Å; I48-R74 HydrophobicContact CG1-CB 4.25Å; I48-V75 PolarHBondContact N-O 3.28Å; I48-L76 HydrophobicContact CB-CD2 4.27Å; I48-L76 HydrophobicContact CD1-CD2 4.05Å; I48-S77 WeakPolarHBondContact O-CB 2.95Å; I48-S77 PolarHBondContact O-N 2.94Å; I48-S77 PolarHBondContact O-OG 2.84Å; I48-F80 HydrophobicContact CB-CE2 4.31Å; I48-F80 HydrophobicContact CG2-CD2 4.26Å; I48-F80 HydrophobicContact CG2-CE1 4.3Å; I48-F80 HydrophobicContact CG2-CE2 3.47Å; I48-F80 VanDerWaalsContact CG2-CE2 3.47Å; I48-F80 HydrophobicContact CG2-CZ 3.5Å; I48-F80 VanDerWaalsContact CG2-CZ 3.5Å; I48-F80 WeakPolarHBondContact O-CD2 3.39Å; I48-L99 HydrophobicContact CD1-CD1 3.85Å
49	H	74.1	Confident	77.7	Confident	89 Å²	89	49.2 Å²	49.2	41%	0.412	27%	0.274	S	S	.	.			trans	-100.1	160.8	-172.7	-80.5	-72.3	0	0	0	114.1	I47 E51 L52 S77	I47-H49 WeakPolarHBondContact CB-NE2 3.35Å; I47-H49 VanDerWaalsContact CG2-NE2 3.27Å; I47-H49 WeakPolarHBondContact CG2-NE2 3.46Å; I47-H49 PolarHBondContact O-N 3.46Å; H49-E51 PolarHBondContact O-N 2.83Å; H49-L52 PolarHBondContact O-N 3.13Å; H49-S77 WeakPolarHBondContact ND1-CB 3.46Å
50	E	74.2	Confident	77.6	Confident	51 Å²	51	49.2 Å²	49.2	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-46.8	-33.3	174.2	-154.1	-159.5	84.8	0	0	113.3	L53 K54 R82 I85	E50-L53 PolarHBondContact O-N 3.44Å; E50-K54 WeakPolarHBondContact OE1-CE 3.38Å; E50-K54 IonicContact OE1-NZ 3.67Å; E50-K54 PolarHBondContact OE1-NZ 2.93Å; E50-R82 IonicContact OE2-NH1 3.11Å; E50-I85 HydrophobicContact CG-CD1 3.37Å; E50-I85 HydrophobicContact CG-CG1 3.88Å
51	E	75.9	Confident	77.7	Confident	141 Å²	141	50.5 Å²	50.5	66%	0.659	28%	0.284	S	S	*	.	H	α-helix	trans	-73.9	-28.4	-176.5	-54.9	-163.8	138.6	0	0	113.7	H49 L53 K54	H49-E51 PolarHBondContact O-N 2.83Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 3.5Å; E51-K54 WeakPolarHBondContact O-CB 3.48Å; E51-K54 PolarHBondContact O-N 3.11Å; E51-K54 VanDerWaalsContact O-N 3.12Å
52	L	77.9	Confident	78.1	Confident	29 Å²	29	51.8 Å²	51.8	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-31.1	176.4	-55.5	-177.1	0	0	0	111.3	T27 L39 L41 D45 I48 H49 K54 L55	T27-L52 HydrophobicContact CG2-CD1 4.37Å; T27-L52 HydrophobicContact CG2-CD2 4.15Å; L39-L52 HydrophobicContact CD2-CB 4.09Å; L41-L52 HydrophobicContact CD2-CD1 4.01Å; D45-L52 HydrophobicContact CB-CD1 4.45Å; I48-L52 HydrophobicContact CG2-CD1 4.22Å; H49-L52 PolarHBondContact O-N 3.13Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 2.64Å; L52-L55 VanDerWaalsContact O-CB 3.32Å; L52-L55 WeakPolarHBondContact O-CB 3.43Å; L52-L55 WeakPolarHBondContact O-CG 3.04Å; L52-L55 PolarHBondContact O-N 3.36Å
53	L	78.2	Confident	78.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.8	-22	173.8	-66.7	-178.1	0	0	0	113.1	L39 E50 E51 L55 C56 L63 F80 L81 I85 L86	L39-L53 HydrophobicContact CD2-CD2 4.19Å; E50-L53 PolarHBondContact O-N 3.44Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 3.5Å; L53-L55 PolarHBondContact O-N 3.36Å; L53-C56 WeakPolarHBondContact O-CB 3.34Å; L53-C56 PolarHBondContact O-N 2.75Å; L53-L63 HydrophobicContact CD2-CD2 3.46Å; L53-L63 VanDerWaalsContact CD2-CD2 3.46Å; L53-F80 HydrophobicContact CD1-CD2 4.04Å; L53-F80 HydrophobicContact CD1-CE1 4.35Å; L53-F80 HydrophobicContact CD1-CE2 3.65Å; L53-F80 HydrophobicContact CD1-CZ 3.82Å; L53-F80 WeakPolarHBondContact CD1-O 3.48Å; L53-F80 HydrophobicContact CD2-CE2 4.02Å; L53-F80 HydrophobicContact CD2-CZ 3.68Å; L53-F80 HydrophobicContact CG-CD2 4.35Å; L53-F80 HydrophobicContact CG-CE2 3.54Å; L53-F80 HydrophobicContact CG-CZ 3.74Å; L53-L81 HydrophobicContact CD1-CD2 3.94Å; L53-I85 HydrophobicContact CB-CG2 3.79Å; L53-I85 HydrophobicContact CD1-CD1 3.97Å; L53-L86 HydrophobicContact CD2-CD1 4.22Å
54	K	79.7	Confident	79.7	Confident	113 Å²	113	50 Å²	50	49%	0.491	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11	176.2	-61	171.6	-168.4	165.1	0	112.5	E50 E51 L52 C56 I85	E50-K54 WeakPolarHBondContact OE1-CE 3.38Å; E50-K54 IonicContact OE1-NZ 3.67Å; E50-K54 PolarHBondContact OE1-NZ 2.93Å; E51-K54 WeakPolarHBondContact O-CB 3.48Å; E51-K54 PolarHBondContact O-N 3.11Å; E51-K54 VanDerWaalsContact O-N 3.12Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 2.64Å; K54-C56 VanDerWaalsContact C-N 3.28Å; K54-I85 HydrophobicContact CG-CG2 4.05Å
55	L	81.8	Confident	80.8	Confident	84 Å²	84	45.2 Å²	45.2	44%	0.44	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.5	167.8	-57.4	172.4	0	0	0	112.3	T27 C29 L39 L52 L53	T27-L55 HydrophobicContact CG2-CD1 4.4Å; C29-L55 HydrophobicContact CB-CB 4.06Å; C29-L55 WeakPolarHBondContact CB-O 3.15Å; L39-L55 HydrophobicContact CD1-CD1 4.35Å; L52-L55 VanDerWaalsContact O-CB 3.32Å; L52-L55 WeakPolarHBondContact O-CB 3.43Å; L52-L55 WeakPolarHBondContact O-CG 3.04Å; L52-L55 PolarHBondContact O-N 3.36Å; L53-L55 PolarHBondContact O-N 3.36Å
56	C	84.5	Confident	81.6	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.061	24%	0.242	C	C	.	.	S	Bend	trans	-93.9	151.1	-179.8	-57.1	0	0	0	0	111.4	C29 L53 K54 L86	C29-C56 HydrophobicContact CB-CB 4.01Å; C29-C56 WeakPolarHBondContact CB-SG 3.29Å; C29-C56 WeakPolarHBondContact SG-CA 3.06Å; C29-C56 WeakPolarHBondContact SG-CB 3.18Å; C29-C56 CovalentContact SG-SG 2.04Å; C29-C56 PolarHBondContact SG-SG 2.86Å; L53-C56 WeakPolarHBondContact O-CB 3.34Å; L53-C56 PolarHBondContact O-N 2.75Å; K54-C56 VanDerWaalsContact C-N 3.28Å; C56-L86 HydrophobicContact CB-CD2 4.48Å
57	P	82.4	Confident	82.2	Confident	34 Å²	34	41.9 Å²	41.9	22%	0.221	22%	0.222	C	C	.	.			trans	-72.6	135.4	-176.8	29.1	-33.4	0	0	0	111.2	N59 T60	P57-N59 PolarHBondContact O-N 3.32Å; P57-T60 WeakPolarHBondContact CD-OG1 3.48Å; P57-T60 WeakPolarHBondContact CG-OG1 3.41Å; P57-T60 WeakPolarHBondContact O-CB 3.48Å; P57-T60 PolarHBondContact O-N 3.31Å; P57-T60 PolarHBondContact O-OG1 2.9Å
58	G	80.3	Confident	82.2	Confident	41 Å²	41	46 Å²	46	42%	0.423	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.1	178.6	0	0	0	0	0	116
59	N	84	Confident	81.9	Confident	72 Å²	72	49.2 Å²	49.2	39%	0.385	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.4	172.6	-166	67	0	0	0	113.8	H34 P57 S61 K88	H34-N59 PolarHBondContact O-ND2 2.03Å; P57-N59 PolarHBondContact O-N 3.32Å; N59-S61 PolarHBondContact O-N 3.27Å; N59-K88 WeakPolarHBondContact OD1-CD 3.1Å; N59-K88 PolarHBondContact OD1-NZ 2.97Å
60	T	86.2	Confident	81.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.			trans	-57.9	123.9	178.1	-56.8	0	0	0	0	110.7	A37 P57 L62 L63 K88 L89	A37-T60 HydrophobicContact CB-CG2 4.06Å; P57-T60 WeakPolarHBondContact CD-OG1 3.48Å; P57-T60 WeakPolarHBondContact CG-OG1 3.41Å; P57-T60 WeakPolarHBondContact O-CB 3.48Å; P57-T60 PolarHBondContact O-N 3.31Å; P57-T60 PolarHBondContact O-OG1 2.9Å; T60-L62 WeakPolarHBondContact CG2-O 3.28Å; T60-L63 HydrophobicContact CG2-CB 4.05Å; T60-K88 CarbonylContact O-C 3.6Å; T60-L89 HydrophobicContact CG2-CD1 4.3Å; T60-L89 PolarHBondContact O-N 3.15Å
61	S	88.8	Confident	80.7	Confident	32 Å²	32	50.9 Å²	50.9	22%	0.224	27%	0.274	C	S	.	.	S	Bend	trans	-99.7	-29.5	170.8	64.8	0	0	0	0	112.2	S35 N59 K88 K90 E91	S35-S61 WeakPolarHBondContact CB-OG 3.5Å; S35-S61 PolarHBondContact O-N 2.66Å; S35-S61 PolarHBondContact O-OG 2.94Å; S35-S61 PolarHBondContact OG-OG 3.27Å; N59-S61 PolarHBondContact O-N 3.27Å; S61-K88 WeakPolarHBondContact CA-O 3.21Å; S61-K90 PolarHBondContact O-N 2.89Å; S61-E91 PolarHBondContact O-N 3.12Å
62	L	91.6	Very high	80.4	Confident	28 Å²	28	46.7 Å²	46.7	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114.3	179.5	-165	-176.5	0	0	0	108.5	S35 V36 A37 T60 F64 E91 F93	S35-L62 PolarHBondContact O-N 3.4Å; S35-L62 VanDerWaalsContact O-N 3.1Å; V36-L62 WeakPolarHBondContact CA-O 3.34Å; V36-L62 HydrophobicContact CG1-CB 4.5Å; V36-L62 HydrophobicContact CG1-CD1 4.42Å; V36-L62 HydrophobicContact CG2-CB 4.32Å; A37-L62 PolarHBondContact N-O 3.07Å; A37-L62 VanDerWaalsContact N-O 3.12Å; T60-L62 WeakPolarHBondContact CG2-O 3.28Å; L62-F64 HydrophobicContact CD1-CE2 4.28Å; L62-F64 HydrophobicContact CD1-CZ 4.29Å; L62-F64 HydrophobicContact CD2-CD1 4.43Å; L62-F64 HydrophobicContact CD2-CD2 3.69Å; L62-F64 HydrophobicContact CD2-CE1 4.12Å; L62-F64 HydrophobicContact CD2-CE2 3.34Å; L62-F64 HydrophobicContact CD2-CG 4.23Å; L62-F64 HydrophobicContact CD2-CZ 3.58Å; L62-F64 HydrophobicContact CG-CE2 4.46Å; L62-E91 WeakPolarHBondContact CA-O 3.34Å; L62-E91 HydrophobicContact CB-CB 4.28Å; L62-E91 HydrophobicContact CG-CB 3.93Å; L62-F93 HydrophobicContact CD1-CE2 4.46Å; L62-F93 HydrophobicContact CD2-CD2 3.62Å; L62-F93 HydrophobicContact CD2-CE2 3.83Å; L62-F93 HydrophobicContact CG-CD2 4.31Å; L62-F93 HydrophobicContact CG-CE2 4.03Å
63	L	90.4	Very high	80.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.1	173.9	-178.6	64.6	0	0	0	110.7	A37 L39 L53 T60 I65 L86 L89 E91 L92 F93	A37-L63 HydrophobicContact CB-CD1 4.11Å; L39-L63 HydrophobicContact CB-CD1 4.3Å; L53-L63 HydrophobicContact CD2-CD2 3.46Å; L53-L63 VanDerWaalsContact CD2-CD2 3.46Å; T60-L63 HydrophobicContact CG2-CB 4.05Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.01Å; L63-L86 HydrophobicContact CD2-CD1 3.9Å; L63-L89 HydrophobicContact CB-CD1 3.69Å; L63-E91 PolarHBondContact N-O 3.24Å; L63-L92 HydrophobicContact CB-CD1 3.98Å; L63-L92 HydrophobicContact CD2-CD1 3.93Å; L63-L92 HydrophobicContact CG-CD1 4.07Å; L63-F93 PolarHBondContact O-N 3.44Å
64	F	90.7	Very high	80.1	Confident	58 Å²	58	48.6 Å²	48.6	25%	0.254	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.7	160.8	-61.8	-82.5	0	0	0	109.7	V36 A37 E38 L39 L62 F93	V36-F64 HydrophobicContact CG1-CD2 4.34Å; V36-F64 HydrophobicContact CG1-CE2 3.94Å; A37-F64 PolarHBondContact O-N 3.2Å; E38-F64 CarbonylContact C-O 3.56Å; E38-F64 WeakPolarHBondContact CA-O 3.42Å; E38-F64 HydrophobicContact CB-CB 4.04Å; E38-F64 HydrophobicContact CG-CB 3.99Å; L39-F64 PolarHBondContact N-O 3.1Å; L62-F64 HydrophobicContact CD1-CE2 4.28Å; L62-F64 HydrophobicContact CD1-CZ 4.29Å; L62-F64 HydrophobicContact CD2-CD1 4.43Å; L62-F64 HydrophobicContact CD2-CD2 3.69Å; L62-F64 HydrophobicContact CD2-CE1 4.12Å; L62-F64 HydrophobicContact CD2-CE2 3.34Å; L62-F64 HydrophobicContact CD2-CG 4.23Å; L62-F64 HydrophobicContact CD2-CZ 3.58Å; L62-F64 HydrophobicContact CG-CE2 4.46Å; F64-F93 CarbonylContact C-O 3.57Å; F64-F93 VanDerWaalsContact CA-O 3.31Å; F64-F93 WeakPolarHBondContact CA-O 2.9Å; F64-F93 HydrophobicContact CD1-CB 3.62Å; F64-F93 HydrophobicContact CD1-CD2 4.24Å; F64-F93 HydrophobicContact CD1-CG 4.09Å; F64-F93 HydrophobicContact CE1-CB 3.99Å; F64-F93 AromaticContact CE1-CD2 3.93Å; F64-F93 HydrophobicContact CE1-CD2 3.93Å; F64-F93 AromaticContact CE1-CG 3.94Å; F64-F93 HydrophobicContact CE1-CG 3.94Å; F64-F93 HydrophobicContact CZ-CD2 4.48Å
65	I	88.8	Confident	80	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.5	169.5	-49.5	-174.1	0	0	0	107.7	L39 L41 L63 F80 L92 F93 I94 S95 I97	L39-I65 HydrophobicContact CB-CG1 4.38Å; L39-I65 HydrophobicContact CD2-CG2 4.42Å; L39-I65 WeakPolarHBondContact O-CA 3.35Å; L41-I65 HydrophobicContact CD1-CG2 3.7Å; L41-I65 HydrophobicContact CD2-CG2 4.41Å; L41-I65 HydrophobicContact CG-CG2 3.88Å; L63-I65 HydrophobicContact CD2-CD1 4.02Å; L63-I65 HydrophobicContact CD2-CG1 3.99Å; L63-I65 HydrophobicContact CG-CG1 4.01Å; I65-F80 HydrophobicContact CD1-CE1 3.77Å; I65-F80 HydrophobicContact CD1-CZ 3.7Å; I65-L92 HydrophobicContact CD1-CD1 4.01Å; I65-L92 HydrophobicContact CG1-CD1 4.15Å; I65-F93 PolarHBondContact N-O 2.92Å; I65-I94 HydrophobicContact CB-CG1 4.3Å; I65-I94 HydrophobicContact CB-CG2 4.48Å; I65-I94 HydrophobicContact CD1-CD1 4.43Å; I65-I94 HydrophobicContact CD1-CG1 4.21Å; I65-I94 HydrophobicContact CG1-CG1 4.41Å; I65-S95 PolarHBondContact O-N 3.1Å; I65-I97 HydrophobicContact CG2-CD1 3.89Å
66	T	86.3	Confident	79.6	Confident	14 Å²	14	41.1 Å²	41.1	9%	0.086	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	165.8	-171.6	55.7	0	0	0	0	110.8	E38 L39 L41	E38-T66 WeakPolarHBondContact OE1-CB 3.45Å; E38-T66 VanDerWaalsContact OE1-CG2 3.29Å; E38-T66 WeakPolarHBondContact OE1-CG2 3.19Å; E38-T66 PolarHBondContact OE1-OG1 2.93Å; L39-T66 PolarHBondContact O-N 3.03Å; L41-T66 PolarHBondContact N-O 3.33Å
67	S	83.1	Confident	78.9	Confident	13 Å²	13	41.1 Å²	41.1	9%	0.091	25%	0.249	C	C	.	.			trans	-146.1	114	179.9	-180	0	0	0	0	108.9	V69 R74	S67-V69 PolarHBondContact OG-O 3.12Å; S67-R74 PolarHBondContact OG-NH2 2.83Å
68	Y	72.8	Confident	78	Confident	157 Å²	157	43.9 Å²	43.9	62%	0.616	27%	0.267	S	S	*	.	S	Bend	trans	-78.3	-27	179.2	-58.6	-51.2	0	0	0	112.6	V40	V40-Y68 HydrophobicContact CB-CE2 4.34Å; V40-Y68 HydrophobicContact CG1-CD2 3.57Å; V40-Y68 HydrophobicContact CG1-CE2 3.52Å; V40-Y68 HydrophobicContact CG2-CE2 3.8Å
69	V	68.9	Low	77.2	Confident	68 Å²	68	43 Å²	43	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	-93.7	127.7	176	-174.5	0	0	0	0	110.3	S67 S71	S67-V69 PolarHBondContact OG-O 3.12Å; V69-S71 PolarHBondContact O-N 2.88Å; V69-S71 PolarHBondContact O-OG 2.61Å
70	V	60.4	Low	76.2	Confident	151 Å²	151	39.6 Å²	39.6	92%	0.915	24%	0.24	S	C	*	.			trans	-68.9	93.9	172.6	-177.9	0	0	0	0	108.9
71	S	62.7	Low	75	Confident	25 Å²	25	40.2 Å²	40.2	18%	0.175	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-95.7	169.4	-174.7	-54.4	0	0	0	0	111.2	V69 R74	V69-S71 PolarHBondContact O-N 2.88Å; V69-S71 PolarHBondContact O-OG 2.61Å; S71-R74 PolarHBondContact OG-NH2 2.83Å
72	G	68.4	Low	73.9	Confident	52 Å²	52	44.6 Å²	44.6	54%	0.536	26%	0.255	S	S	.	.	S	Bend	trans	-60.8	173.8	169.7	0	0	0	0	0	113	R74	G72-R74 PolarHBondContact O-N 3.1Å
73	P	73.2	Confident	72.2	Confident	68 Å²	68	45.6 Å²	45.6	44%	0.442	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-55.9	116.5	179.6	23.5	-33.6	0	0	0	111	E100	P73-E100 HydrophobicContact CB-CB 4.41Å
74	R	78.1	Confident	71	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.5	174.3	-58	-167.5	-167.6	-93.4	10.1	109.5	L41 E42 D45 S46 I48 S67 S71 G72 I97 H98 L99 E100	L41-R74 PolarHBondContact O-NH2 3.37Å; L41-R74 VanDerWaalsContact O-NH2 3.14Å; E42-R74 VanDerWaalsContact O-CZ 3.29Å; E42-R74 PolarHBondContact O-NH1 2.9Å; E42-R74 PolarHBondContact O-NH2 2.97Å; D45-R74 PolarHBondContact O-NH1 3.23Å; S46-R74 CarbonylContact O-C 3.57Å; S46-R74 WeakPolarHBondContact O-CA 3.43Å; I48-R74 HydrophobicContact CD1-CB 4.28Å; I48-R74 HydrophobicContact CG1-CB 4.25Å; S67-R74 PolarHBondContact OG-NH2 2.83Å; S71-R74 PolarHBondContact OG-NH2 2.83Å; G72-R74 PolarHBondContact O-N 3.1Å; R74-I97 HydrophobicContact CB-CG2 4.02Å; R74-I97 HydrophobicContact CG-CG2 4.04Å; R74-H98 PolarHBondContact N-O 2.99Å; R74-L99 WeakPolarHBondContact O-CA 3.36Å; R74-E100 PolarHBondContact O-N 2.99Å
75	V	75.8	Confident	70	Confident	36 Å²	36	47.9 Å²	47.9	22%	0.218	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.5	-179.7	179.6	0	0	0	0	109.6	S46 I47 I48 E100 P102	S46-V75 PolarHBondContact O-N 2.84Å; I47-V75 CarbonylContact C-O 3.57Å; I47-V75 WeakPolarHBondContact CA-O 3.39Å; I47-V75 HydrophobicContact CG1-CB 4.41Å; I47-V75 HydrophobicContact CG2-CB 4.26Å; I47-V75 HydrophobicContact CG2-CG1 4.48Å; I47-V75 WeakPolarHBondContact CG2-O 3.39Å; I48-V75 PolarHBondContact N-O 3.28Å; V75-E100 HydrophobicContact CG2-CB 4.4Å; V75-P102 HydrophobicContact CG1-CG 4.03Å
76	L	74.4	Confident	69.5	Low	4 Å²	4	48.2 Å²	48.2	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.1	166.5	-73.4	174.4	0	0	0	109.9	I48 F80 L99 L106	I48-L76 HydrophobicContact CB-CD2 4.27Å; I48-L76 HydrophobicContact CD1-CD2 4.05Å; L76-F80 HydrophobicContact CD2-CD1 3.69Å; L76-F80 HydrophobicContact CD2-CE1 4.06Å; L76-F80 HydrophobicContact CD2-CG 4.21Å; L76-L99 HydrophobicContact CD1-CD2 4.12Å; L76-L99 HydrophobicContact CD2-CD1 4.37Å; L76-L99 HydrophobicContact CG-CD1 4.07Å; L76-L99 HydrophobicContact CG-CD2 4.36Å; L76-L99 HydrophobicContact CG-CG 4.43Å; L76-L106 HydrophobicContact CB-CD1 4.26Å; L76-L106 HydrophobicContact CB-CD2 3.62Å; L76-L106 HydrophobicContact CD1-CD1 4.31Å; L76-L106 VanDerWaalsContact O-CD2 3.23Å; L76-L106 WeakPolarHBondContact O-CD2 3.41Å
77	S	69.4	Low	69.1	Low	8 Å²	8	50.6 Å²	50.6	6%	0.056	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-72.6	141.9	170.7	71.3	0	0	0	0	111.3	I48 H49 G79 F80	I48-S77 WeakPolarHBondContact O-CB 2.95Å; I48-S77 PolarHBondContact O-N 2.94Å; I48-S77 PolarHBondContact O-OG 2.84Å; H49-S77 WeakPolarHBondContact ND1-CB 3.46Å; S77-G79 PolarHBondContact O-N 2.93Å; S77-F80 VanDerWaalsContact O-CB 3.29Å; S77-F80 WeakPolarHBondContact O-CB 3.3Å; S77-F80 PolarHBondContact O-N 2.88Å
78	P	64.1	Low	69.1	Low	93 Å²	93	55.6 Å²	55.6	60%	0.604	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.3	170.3	-24.9	34.8	0	0	0	111.7
79	G	62.7	Low	69.8	Low	22 Å²	22	48.3 Å²	48.3	23%	0.227	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	17.9	-176.3	0	0	0	0	0	115	S77 L81 R82 L106	S77-G79 PolarHBondContact O-N 2.93Å; G79-L81 PolarHBondContact O-N 3.3Å; G79-R82 WeakPolarHBondContact O-CB 3.41Å; G79-R82 PolarHBondContact O-N 3.27Å; G79-L106 PolarHBondContact N-O 3.04Å
80	F	63.8	Low	70.8	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.1	-42.8	-176.2	173.8	-126.6	0	0	0	114.5	I48 L53 I65 L76 S77 I85	I48-F80 HydrophobicContact CB-CE2 4.31Å; I48-F80 HydrophobicContact CG2-CD2 4.26Å; I48-F80 HydrophobicContact CG2-CE1 4.3Å; I48-F80 HydrophobicContact CG2-CE2 3.47Å; I48-F80 VanDerWaalsContact CG2-CE2 3.47Å; I48-F80 HydrophobicContact CG2-CZ 3.5Å; I48-F80 VanDerWaalsContact CG2-CZ 3.5Å; I48-F80 WeakPolarHBondContact O-CD2 3.39Å; L53-F80 HydrophobicContact CD1-CD2 4.04Å; L53-F80 HydrophobicContact CD1-CE1 4.35Å; L53-F80 HydrophobicContact CD1-CE2 3.65Å; L53-F80 HydrophobicContact CD1-CZ 3.82Å; L53-F80 WeakPolarHBondContact CD1-O 3.48Å; L53-F80 HydrophobicContact CD2-CE2 4.02Å; L53-F80 HydrophobicContact CD2-CZ 3.68Å; L53-F80 HydrophobicContact CG-CD2 4.35Å; L53-F80 HydrophobicContact CG-CE2 3.54Å; L53-F80 HydrophobicContact CG-CZ 3.74Å; I65-F80 HydrophobicContact CD1-CE1 3.77Å; I65-F80 HydrophobicContact CD1-CZ 3.7Å; L76-F80 HydrophobicContact CD2-CD1 3.69Å; L76-F80 HydrophobicContact CD2-CE1 4.06Å; L76-F80 HydrophobicContact CD2-CG 4.21Å; S77-F80 VanDerWaalsContact O-CB 3.29Å; S77-F80 WeakPolarHBondContact O-CB 3.3Å; S77-F80 PolarHBondContact O-N 2.88Å; F80-I85 WeakPolarHBondContact O-CD1 3.47Å
81	L	61.4	Low	72.3	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.063	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	32.3	-174.3	-65.4	154.5	0	0	0	113.3	L53 G79 S83 L89 L92 I110	L53-L81 HydrophobicContact CD1-CD2 3.94Å; G79-L81 PolarHBondContact O-N 3.3Å; L81-S83 PolarHBondContact O-N 2.6Å; L81-L89 HydrophobicContact CD2-CD2 4.04Å; L81-L92 HydrophobicContact CD1-CD2 3.31Å; L81-L92 HydrophobicContact CD2-CD2 3.69Å; L81-L92 HydrophobicContact CG-CD2 4.13Å; L81-I110 HydrophobicContact CB-CB 4.41Å; L81-I110 HydrophobicContact CB-CD1 4.12Å; L81-I110 HydrophobicContact CB-CG1 3.91Å; L81-I110 HydrophobicContact CB-CG2 4.01Å; L81-I110 HydrophobicContact CD1-CD1 3.77Å; L81-I110 HydrophobicContact CD1-CG1 4.48Å; L81-I110 WeakPolarHBondContact O-CA 3.06Å
82	R	63.9	Low	73.6	Confident	125 Å²	125	45.4 Å²	45.4	47%	0.472	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-47.2	127	178.3	-160	178	-170.5	168.4	3.2	110.8	E50 G79 S84 I85	E50-R82 IonicContact OE2-NH1 3.11Å; G79-R82 WeakPolarHBondContact O-CB 3.41Å; G79-R82 PolarHBondContact O-N 3.27Å; R82-S84 PolarHBondContact O-N 2.67Å; R82-I85 HydrophobicContact CB-CD1 4.04Å; R82-I85 HydrophobicContact CB-CG1 4.44Å; R82-I85 WeakPolarHBondContact O-CD1 3.16Å; R82-I85 WeakPolarHBondContact O-CG1 3.17Å; R82-I85 PolarHBondContact O-N 3.11Å
83	S	57.6	Low	74.7	Confident	48 Å²	48	45.4 Å²	45.4	34%	0.336	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-21.9	-169.6	65.3	0	0	0	0	115.4	L81 I85 P87 N109	L81-S83 PolarHBondContact O-N 2.6Å; S83-I85 VanDerWaalsContact C-N 3.28Å; S83-I85 PolarHBondContact O-N 2.99Å; S83-P87 WeakPolarHBondContact O-CA 3.42Å; S83-N109 PolarHBondContact N-O 2.87Å
84	S	64.2	Low	75.5	Confident	85 Å²	85	42.3 Å²	42.3	59%	0.594	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.9	176.2	48.1	0	0	0	0	115.5	R82	R82-S84 PolarHBondContact O-N 2.67Å
85	I	70	Confident	76	Confident	21 Å²	21	43.4 Å²	43.4	11%	0.108	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-52.6	-173.1	-40	148.8	0	0	0	110.8	E50 L53 K54 F80 R82 S83 P87	E50-I85 HydrophobicContact CG-CD1 3.37Å; E50-I85 HydrophobicContact CG-CG1 3.88Å; L53-I85 HydrophobicContact CB-CG2 3.79Å; L53-I85 HydrophobicContact CD1-CD1 3.97Å; K54-I85 HydrophobicContact CG-CG2 4.05Å; F80-I85 WeakPolarHBondContact O-CD1 3.47Å; R82-I85 HydrophobicContact CB-CD1 4.04Å; R82-I85 HydrophobicContact CB-CG1 4.44Å; R82-I85 WeakPolarHBondContact O-CD1 3.16Å; R82-I85 WeakPolarHBondContact O-CG1 3.17Å; R82-I85 PolarHBondContact O-N 3.11Å; S83-I85 VanDerWaalsContact C-N 3.28Å; S83-I85 PolarHBondContact O-N 2.99Å; I85-P87 WeakPolarHBondContact O-CD 3.22Å
86	L	78.1	Confident	76.3	Confident	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.249	C	C	.	.			trans	-126.9	69.7	-177	-59.4	178.3	0	0	0	109.6	L53 C56 L63 K88 L89	L53-L86 HydrophobicContact CD2-CD1 4.22Å; C56-L86 HydrophobicContact CB-CD2 4.48Å; L63-L86 HydrophobicContact CD2-CD1 3.9Å; L86-K88 PolarHBondContact O-N 3.49Å; L86-K88 VanDerWaalsContact O-N 3.1Å; L86-L89 HydrophobicContact CB-CB 3.98Å; L86-L89 HydrophobicContact CD1-CD2 4.36Å; L86-L89 VanDerWaalsContact O-CB 3.28Å; L86-L89 WeakPolarHBondContact O-CB 3.32Å; L86-L89 PolarHBondContact O-N 2.92Å
87	P	78.1	Confident	76.8	Confident	64 Å²	64	46.1 Å²	46.1	42%	0.416	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.2	-170.6	24.3	-35.2	0	0	0	114.1	S83 I85 N113	S83-P87 WeakPolarHBondContact O-CA 3.42Å; I85-P87 WeakPolarHBondContact O-CD 3.22Å; P87-N113 PolarHBondContact O-ND2 2.04Å
88	K	83.1	Confident	77.3	Confident	119 Å²	119	50.2 Å²	50.2	52%	0.517	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	1.1	177.8	-66.1	-171.2	-175.9	178.7	0	114.5	N59 T60 S61 L86 K90	N59-K88 WeakPolarHBondContact OD1-CD 3.1Å; N59-K88 PolarHBondContact OD1-NZ 2.97Å; T60-K88 CarbonylContact O-C 3.6Å; S61-K88 WeakPolarHBondContact CA-O 3.21Å; L86-K88 PolarHBondContact O-N 3.49Å; L86-K88 VanDerWaalsContact O-N 3.1Å; K88-K90 PolarHBondContact O-N 3.25Å
89	L	87	Confident	78.1	Confident	4 Å²	4	46 Å²	46	2%	0.021	24%	0.238	C	C	.	.			trans	-62.2	120.3	-178.7	-168.4	69.1	0	0	0	110.4	T60 L63 L81 L86 E91 L92 L114	T60-L89 HydrophobicContact CG2-CD1 4.3Å; T60-L89 PolarHBondContact O-N 3.15Å; L63-L89 HydrophobicContact CB-CD1 3.69Å; L81-L89 HydrophobicContact CD2-CD2 4.04Å; L86-L89 HydrophobicContact CB-CB 3.98Å; L86-L89 HydrophobicContact CD1-CD2 4.36Å; L86-L89 VanDerWaalsContact O-CB 3.28Å; L86-L89 WeakPolarHBondContact O-CB 3.32Å; L86-L89 PolarHBondContact O-N 2.92Å; L89-E91 WeakPolarHBondContact CD1-O 3.19Å; L89-L92 HydrophobicContact CD2-CB 4.43Å; L89-L114 HydrophobicContact CD2-CD1 4.13Å; L89-L114 HydrophobicContact CG-CD1 3.96Å
90	K	89.8	Confident	78.7	Confident	113 Å²	113	48.3 Å²	48.3	49%	0.491	24%	0.243	S	C	.	.			trans	-111.5	-29	175.4	-69.9	-177.3	178.2	-177.7	0	111.9	S61 K88 V115 T116	S61-K90 PolarHBondContact O-N 2.89Å; K88-K90 PolarHBondContact O-N 3.25Å; K90-V115 HydrophobicContact CB-CG2 4.4Å; K90-V115 PolarHBondContact O-N 3.31Å; K90-T116 PolarHBondContact O-N 3.01Å
91	E	92	Very high	79	Confident	70 Å²	70	49 Å²	49	33%	0.327	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.5	-170.8	-59.1	178	-149.6	0	0	109.3	S61 L62 L63 L89 F93 T116	S61-E91 PolarHBondContact O-N 3.12Å; L62-E91 WeakPolarHBondContact CA-O 3.34Å; L62-E91 HydrophobicContact CB-CB 4.28Å; L62-E91 HydrophobicContact CG-CB 3.93Å; L63-E91 PolarHBondContact N-O 3.24Å; L89-E91 WeakPolarHBondContact CD1-O 3.19Å; E91-F93 HydrophobicContact CB-CE2 3.95Å; E91-T116 WeakPolarHBondContact CA-O 3.47Å
92	L	90.3	Very high	79.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.2	177.8	177.6	63.1	0	0	0	110	L63 I65 L81 L89 I94 L114 T116 L117 S118	L63-L92 HydrophobicContact CB-CD1 3.98Å; L63-L92 HydrophobicContact CD2-CD1 3.93Å; L63-L92 HydrophobicContact CG-CD1 4.07Å; I65-L92 HydrophobicContact CD1-CD1 4.01Å; I65-L92 HydrophobicContact CG1-CD1 4.15Å; L81-L92 HydrophobicContact CD1-CD2 3.31Å; L81-L92 HydrophobicContact CD2-CD2 3.69Å; L81-L92 HydrophobicContact CG-CD2 4.13Å; L89-L92 HydrophobicContact CD2-CB 4.43Å; L92-I94 HydrophobicContact CD1-CG1 4.27Å; L92-I94 HydrophobicContact CD2-CD1 4.24Å; L92-I94 HydrophobicContact CD2-CG1 4.4Å; L92-I94 HydrophobicContact CG-CG1 4.14Å; L92-L114 HydrophobicContact CB-CD1 4.14Å; L92-T116 PolarHBondContact N-O 3.07Å; L92-L117 HydrophobicContact CB-CD1 4.17Å; L92-L117 HydrophobicContact CD2-CD1 3.88Å; L92-L117 HydrophobicContact CG-CD1 4.18Å; L92-S118 PolarHBondContact O-N 2.9Å
93	F	92	Very high	78.8	Confident	52 Å²	52	46.8 Å²	46.8	23%	0.228	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.3	176.7	-62.7	-93.8	0	0	0	109.2	L62 L63 F64 I65 E91 T116 S118	L62-F93 HydrophobicContact CD1-CE2 4.46Å; L62-F93 HydrophobicContact CD2-CD2 3.62Å; L62-F93 HydrophobicContact CD2-CE2 3.83Å; L62-F93 HydrophobicContact CG-CD2 4.31Å; L62-F93 HydrophobicContact CG-CE2 4.03Å; L63-F93 PolarHBondContact O-N 3.44Å; F64-F93 CarbonylContact C-O 3.57Å; F64-F93 VanDerWaalsContact CA-O 3.31Å; F64-F93 WeakPolarHBondContact CA-O 2.9Å; F64-F93 HydrophobicContact CD1-CB 3.62Å; F64-F93 HydrophobicContact CD1-CD2 4.24Å; F64-F93 HydrophobicContact CD1-CG 4.09Å; F64-F93 HydrophobicContact CE1-CB 3.99Å; F64-F93 AromaticContact CE1-CD2 3.93Å; F64-F93 HydrophobicContact CE1-CD2 3.93Å; F64-F93 AromaticContact CE1-CG 3.94Å; F64-F93 HydrophobicContact CE1-CG 3.94Å; F64-F93 HydrophobicContact CZ-CD2 4.48Å; I65-F93 PolarHBondContact N-O 2.92Å; E91-F93 HydrophobicContact CB-CE2 3.95Å; F93-T116 HydrophobicContact CE1-CG2 4.35Å; F93-T116 HydrophobicContact CZ-CG2 3.99Å; F93-S118 CarbonylContact C-O 3.52Å; F93-S118 WeakPolarHBondContact CA-O 3.19Å
94	I	89.3	Confident	78.7	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.6	172.9	-52.7	-178.6	0	0	0	106.7	I65 L92 I97 S118 I119 T120	I65-I94 HydrophobicContact CB-CG1 4.3Å; I65-I94 HydrophobicContact CB-CG2 4.48Å; I65-I94 HydrophobicContact CD1-CD1 4.43Å; I65-I94 HydrophobicContact CD1-CG1 4.21Å; I65-I94 HydrophobicContact CG1-CG1 4.41Å; L92-I94 HydrophobicContact CD1-CG1 4.27Å; L92-I94 HydrophobicContact CD2-CD1 4.24Å; L92-I94 HydrophobicContact CD2-CG1 4.4Å; L92-I94 HydrophobicContact CG-CG1 4.14Å; I94-I97 HydrophobicContact CG2-CD1 3.92Å; I94-S118 PolarHBondContact N-O 3.35Å; I94-I119 HydrophobicContact CB-CG1 4.45Å; I94-I119 HydrophobicContact CB-CG2 4.26Å; I94-I119 HydrophobicContact CD1-CG1 4.37Å; I94-I119 HydrophobicContact CG2-CG2 4.48Å; I94-I119 CarbonylContact O-C 3.55Å; I94-I119 WeakPolarHBondContact O-CA 3.45Å; I94-T120 PolarHBondContact O-N 2.94Å
95	S	89.6	Confident	78.2	Confident	25 Å²	25	49.7 Å²	49.7	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.5	179.7	65.7	0	0	0	0	114.5	I65 I97 T120	I65-S95 PolarHBondContact O-N 3.1Å; S95-I97 PolarHBondContact O-N 2.81Å; S95-T120 VanDerWaalsContact CA-O 3.29Å; S95-T120 WeakPolarHBondContact CA-O 3.43Å
96	N	82.3	Confident	77.3	Confident	95 Å²	95	48.8 Å²	48.8	51%	0.508	24%	0.238	S	C	.	.	S	Bend	trans	57.3	31.4	176.3	-58.2	-18.9	0	0	0	114.3	T120 N121	N96-T120 PolarHBondContact N-O 2.89Å; N96-N121 PolarHBondContact OD1-ND2 2.7Å
97	I	83.3	Confident	76.1	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.237	C	C	.	.			trans	-121.7	122.8	-179.8	-71.5	153.6	0	0	0	108.7	L41 I65 R74 I94 S95 L99 C122	L41-I97 HydrophobicContact CD1-CD1 3.81Å; L41-I97 HydrophobicContact CD1-CG1 4.45Å; I65-I97 HydrophobicContact CG2-CD1 3.89Å; R74-I97 HydrophobicContact CB-CG2 4.02Å; R74-I97 HydrophobicContact CG-CG2 4.04Å; I94-I97 HydrophobicContact CG2-CD1 3.92Å; S95-I97 PolarHBondContact O-N 2.81Å; I97-L99 HydrophobicContact CG2-CB 4.5Å; I97-L99 HydrophobicContact CG2-CD1 3.94Å; I97-L99 PolarHBondContact O-N 2.88Å; I97-C122 WeakPolarHBondContact O-CA 3.43Å; I97-C122 VanDerWaalsContact O-CB 3.31Å; I97-C122 WeakPolarHBondContact O-CB 3.5Å; I97-C122 PolarHBondContact O-SG 2.77Å
98	H	81.7	Confident	74.7	Confident	93 Å²	93	47.8 Å²	47.8	43%	0.431	23%	0.229	S	C	.	.			trans	-66.9	107.2	170.6	-176.2	20.5	0	0	0	109.5	R74	R74-H98 PolarHBondContact N-O 2.99Å
99	L	79.3	Confident	73.1	Confident	5 Å²	5	47 Å²	47	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.9	-167.7	-158.6	69.9	0	0	0	111.2	I48 R74 L76 I97 I101 I119 C122 I124	I48-L99 HydrophobicContact CD1-CD1 3.85Å; R74-L99 WeakPolarHBondContact O-CA 3.36Å; L76-L99 HydrophobicContact CD1-CD2 4.12Å; L76-L99 HydrophobicContact CD2-CD1 4.37Å; L76-L99 HydrophobicContact CG-CD1 4.07Å; L76-L99 HydrophobicContact CG-CD2 4.36Å; L76-L99 HydrophobicContact CG-CG 4.43Å; I97-L99 HydrophobicContact CG2-CB 4.5Å; I97-L99 HydrophobicContact CG2-CD1 3.94Å; I97-L99 PolarHBondContact O-N 2.88Å; L99-I101 HydrophobicContact CD2-CD1 4.04Å; L99-I101 HydrophobicContact CD2-CG1 3.85Å; L99-I101 HydrophobicContact CG-CG1 4Å; L99-I119 HydrophobicContact CD2-CG2 3.89Å; L99-C122 HydrophobicContact CB-CB 3.91Å; L99-C122 PolarHBondContact N-O 3.44Å; L99-I124 HydrophobicContact CB-CG1 4.37Å; L99-I124 HydrophobicContact CD2-CD1 4.48Å
100	E	75.7	Confident	71.8	Confident	71 Å²	71	47.3 Å²	47.3	33%	0.332	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.3	162.1	-166.9	-170.6	141.6	0	0	108.3	P73 R74 V75 P102 K283	P73-E100 HydrophobicContact CB-CB 4.41Å; R74-E100 PolarHBondContact O-N 2.99Å; V75-E100 HydrophobicContact CG2-CB 4.4Å; E100-P102 WeakPolarHBondContact O-CD 3.49Å; E100-K283 VanDerWaalsContact OE1-CE 3.28Å; E100-K283 WeakPolarHBondContact OE1-CE 3.45Å; E100-K283 IonicContact OE1-NZ 3.9Å; E100-K283 PolarHBondContact OE1-NZ 3.34Å
101	I	69.8	Low	70.4	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.072	21%	0.21	C	C	.	.			trans	-89.4	99.1	175.1	-58.6	-172.9	0	0	0	107.3	L99 L106 I124 L127 P128 L132	L99-I101 HydrophobicContact CD2-CD1 4.04Å; L99-I101 HydrophobicContact CD2-CG1 3.85Å; L99-I101 HydrophobicContact CG-CG1 4Å; I101-L106 HydrophobicContact CB-CD1 4.18Å; I101-L106 HydrophobicContact CG2-CD1 3.18Å; I101-I124 HydrophobicContact CD1-CD1 3.55Å; I101-I124 HydrophobicContact CD1-CG1 3.9Å; I101-I124 HydrophobicContact CD1-CG2 4.02Å; I101-I124 HydrophobicContact CG1-CD1 4.45Å; I101-I124 HydrophobicContact CG1-CG1 4.36Å; I101-L127 HydrophobicContact CD1-CD2 4.11Å; I101-P128 HydrophobicContact CG2-CG 3.8Å; I101-L132 HydrophobicContact CG2-CD1 4.47Å
102	P	64.3	Low	69.2	Low	11 Å²	11	41.9 Å²	41.9	7%	0.071	22%	0.216	C	C	.	.			trans	-59.4	143.4	179.4	22.7	-35.1	0	0	0	111.8	V75 E100 T104 L106	V75-P102 HydrophobicContact CG1-CG 4.03Å; E100-P102 WeakPolarHBondContact O-CD 3.49Å; P102-T104 PolarHBondContact O-N 2.89Å; P102-L106 HydrophobicContact CG-CD1 3.95Å; P102-L106 HydrophobicContact CG-CD2 3.64Å; P102-L106 HydrophobicContact CG-CG 3.92Å; P102-L106 WeakPolarHBondContact O-CD1 3.49Å
103	R	57.6	Low	68.6	Low	80 Å²	80	45.8 Å²	45.8	30%	0.302	24%	0.237	S	C	.	.	S	Bend	trans	-75.1	25.5	-170.7	-72.5	167.6	176.1	145.6	1.9	114.6	S126 I282	R103-S126 PolarHBondContact NH2-OG 3.35Å; R103-I282 WeakPolarHBondContact CD-O 3.33Å; R103-I282 PolarHBondContact NH1-O 2.96Å
104	T	54.6	Low	68.4	Low	65 Å²	65	43.4 Å²	43.4	40%	0.399	23%	0.226	S	C	.	.	S	Bend	trans	-139.6	107.2	-169.1	52.3	0	0	0	0	111.8	P102 L106 T281	P102-T104 PolarHBondContact O-N 2.89Å; T104-L106 PolarHBondContact O-N 3.24Å; T104-T281 HydrophobicContact CG2-CG2 3.71Å
105	E	54.3	Low	68.5	Low	130 Å²	130	45.2 Å²	45.2	61%	0.607	24%	0.238	S	C	*	.			trans	43.4	28.8	160.4	-63.1	-159.9	-169.7	0	0	118.7	L107 N108	E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 2.8Å; E105-N108 WeakPolarHBondContact CG-ND2 3.44Å; E105-N108 PolarHBondContact O-N 3.1Å; E105-N108 PolarHBondContact OE2-ND2 3.48Å
106	L	52.1	Low	68.7	Low	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-44	-173.1	-84.4	172.7	0	0	0	115.2	L76 G79 I101 P102 T104	L76-L106 HydrophobicContact CB-CD1 4.26Å; L76-L106 HydrophobicContact CB-CD2 3.62Å; L76-L106 HydrophobicContact CD1-CD1 4.31Å; L76-L106 VanDerWaalsContact O-CD2 3.23Å; L76-L106 WeakPolarHBondContact O-CD2 3.41Å; G79-L106 PolarHBondContact N-O 3.04Å; I101-L106 HydrophobicContact CB-CD1 4.18Å; I101-L106 HydrophobicContact CG2-CD1 3.18Å; P102-L106 HydrophobicContact CG-CD1 3.95Å; P102-L106 HydrophobicContact CG-CD2 3.64Å; P102-L106 HydrophobicContact CG-CG 3.92Å; P102-L106 WeakPolarHBondContact O-CD1 3.49Å; T104-L106 PolarHBondContact O-N 3.24Å
107	L	51.7	Low	69.1	Low	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	16.8	-165.9	-54.5	-167.3	0	0	0	111.4	E105 N109 I110 L132	E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 2.8Å; L107-N109 PolarHBondContact O-N 3.34Å; L107-I110 HydrophobicContact CB-CD1 3.59Å; L107-I110 HydrophobicContact CB-CG1 4.07Å; L107-I110 HydrophobicContact CD1-CD1 4.04Å; L107-I110 HydrophobicContact CD2-CD1 3.86Å; L107-I110 HydrophobicContact CG-CD1 3.97Å; L107-I110 WeakPolarHBondContact O-CG1 3.02Å; L107-L132 WeakPolarHBondContact CB-O 3.47Å; L107-L132 HydrophobicContact CD1-CD1 3.6Å; L107-L132 HydrophobicContact CD1-CG 4.07Å; L107-L132 VanDerWaalsContact CD1-O 3.23Å; L107-L132 WeakPolarHBondContact CD1-O 3.01Å; L107-L132 HydrophobicContact CG-CD1 4.25Å
108	N	49.3	Very low	69.6	Low	44 Å²	44	40.8 Å²	40.8	24%	0.235	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	126.7	163.6	-77.3	-1.5	0	0	0	108.9	E105	E105-N108 WeakPolarHBondContact CG-ND2 3.44Å; E105-N108 PolarHBondContact O-N 3.1Å; E105-N108 PolarHBondContact OE2-ND2 3.48Å
109	N	49.8	Very low	70.1	Confident	103 Å²	103	36.7 Å²	36.7	55%	0.551	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	31.3	176.9	-149.2	11.5	0	0	0	116.7	S83 L107	S83-N109 PolarHBondContact N-O 2.87Å; L107-N109 PolarHBondContact O-N 3.34Å
110	I	59.4	Low	70.7	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.056	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-61.3	151	161.4	-56.5	-170.5	0	0	0	110.3	L81 L107 S112 L114 L136	L81-I110 HydrophobicContact CB-CB 4.41Å; L81-I110 HydrophobicContact CB-CD1 4.12Å; L81-I110 HydrophobicContact CB-CG1 3.91Å; L81-I110 HydrophobicContact CB-CG2 4.01Å; L81-I110 HydrophobicContact CD1-CD1 3.77Å; L81-I110 HydrophobicContact CD1-CG1 4.48Å; L81-I110 WeakPolarHBondContact O-CA 3.06Å; L107-I110 HydrophobicContact CB-CD1 3.59Å; L107-I110 HydrophobicContact CB-CG1 4.07Å; L107-I110 HydrophobicContact CD1-CD1 4.04Å; L107-I110 HydrophobicContact CD2-CD1 3.86Å; L107-I110 HydrophobicContact CG-CD1 3.97Å; L107-I110 WeakPolarHBondContact O-CG1 3.02Å; I110-S112 PolarHBondContact O-N 3.32Å; I110-S112 VanDerWaalsContact O-N 3.1Å; I110-L114 HydrophobicContact CG2-CD2 4.47Å; I110-L136 HydrophobicContact CB-CD2 3.71Å; I110-L136 HydrophobicContact CD1-CD1 4.39Å; I110-L136 HydrophobicContact CD1-CD2 4.07Å; I110-L136 HydrophobicContact CG1-CD2 4.37Å; I110-L136 HydrophobicContact CG2-CD2 3.65Å
111	S	59.8	Low	71.4	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.028	20%	0.203	C	C	.	.			trans	-43.5	116.1	164.2	-171.4	0	0	0	0	112.1	N113 L114	S111-N113 PolarHBondContact O-N 3.08Å; S111-L114 PolarHBondContact O-N 3.35Å
112	S	66.3	Low	72.3	Confident	64 Å²	64	37 Å²	37	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-7.7	177.9	51.1	0	0	0	0	113.8	I110 S138	I110-S112 PolarHBondContact O-N 3.32Å; I110-S112 VanDerWaalsContact O-N 3.1Å; S112-S138 WeakPolarHBondContact O-CB 3.49Å; S112-S138 PolarHBondContact O-OG 3.2Å
113	N	79.7	Confident	73.5	Confident	83 Å²	83	38 Å²	38	44%	0.444	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-4	179	-59.5	-40.7	0	0	0	114.2	P87 S111 V115	P87-N113 PolarHBondContact O-ND2 2.04Å; S111-N113 PolarHBondContact O-N 3.08Å; N113-V115 WeakPolarHBondContact O-CG2 3.39Å; N113-V115 PolarHBondContact O-N 2.83Å
114	L	87	Confident	74.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.193	C	C	.	.			trans	-67	126.5	-178.9	-161.1	78.7	0	0	0	110.8	L89 L92 I110 S111 L117 L136 S138 L139	L89-L114 HydrophobicContact CD2-CD1 4.13Å; L89-L114 HydrophobicContact CG-CD1 3.96Å; L92-L114 HydrophobicContact CB-CD1 4.14Å; I110-L114 HydrophobicContact CG2-CD2 4.47Å; S111-L114 PolarHBondContact O-N 3.35Å; L114-L117 HydrophobicContact CD2-CB 4.07Å; L114-L117 HydrophobicContact CD2-CD1 4.36Å; L114-L136 HydrophobicContact CB-CD2 4.08Å; L114-L136 HydrophobicContact CD2-CD1 4.46Å; L114-L136 HydrophobicContact CD2-CD2 4.03Å; L114-S138 CarbonylContact O-C 3.49Å; L114-L139 HydrophobicContact CD2-CD1 4.33Å; L114-L139 WeakPolarHBondContact O-CA 3.27Å; L114-L139 PolarHBondContact O-N 2.97Å; L114-L139 VanDerWaalsContact O-N 3.12Å
115	V	92	Very high	76.3	Confident	42 Å²	42	38.3 Å²	38.3	26%	0.255	20%	0.201	S	C	.	.			trans	-108.5	-36.7	-177.2	-175.7	0	0	0	0	111.5	K90 N113 R140 I141	K90-V115 HydrophobicContact CB-CG2 4.4Å; K90-V115 PolarHBondContact O-N 3.31Å; N113-V115 WeakPolarHBondContact O-CG2 3.39Å; N113-V115 PolarHBondContact O-N 2.83Å; V115-R140 HydrophobicContact CG1-CB 4Å; V115-R140 HydrophobicContact CG1-CG 3.97Å; V115-R140 PolarHBondContact O-N 2.87Å; V115-I141 PolarHBondContact O-N 2.76Å
116	T	93.5	Very high	77.5	Confident	14 Å²	14	33.5 Å²	33.5	9%	0.086	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127	-179	-55.8	0	0	0	0	110.1	K90 E91 L92 F93 I141	K90-T116 PolarHBondContact O-N 3.01Å; E91-T116 WeakPolarHBondContact CA-O 3.47Å; L92-T116 PolarHBondContact N-O 3.07Å; F93-T116 HydrophobicContact CE1-CG2 4.35Å; F93-T116 HydrophobicContact CZ-CG2 3.99Å; T116-I141 WeakPolarHBondContact CA-O 3.4Å; T116-I141 HydrophobicContact CG2-CB 4.07Å; T116-I141 HydrophobicContact CG2-CG2 3.92Å
117	L	91.3	Very high	78.9	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.5	170.7	178.9	59.3	0	0	0	109	L92 L114 I119 L133 L136 L139 I141 L142 D143	L92-L117 HydrophobicContact CB-CD1 4.17Å; L92-L117 HydrophobicContact CD2-CD1 3.88Å; L92-L117 HydrophobicContact CG-CD1 4.18Å; L114-L117 HydrophobicContact CD2-CB 4.07Å; L114-L117 HydrophobicContact CD2-CD1 4.36Å; L117-I119 HydrophobicContact CD1-CD1 4.15Å; L117-I119 HydrophobicContact CD1-CG1 4.01Å; L117-I119 HydrophobicContact CD2-CD1 4.4Å; L117-I119 HydrophobicContact CG-CD1 4.33Å; L117-I119 HydrophobicContact CG-CG1 4.25Å; L117-L133 HydrophobicContact CD2-CD2 4.25Å; L117-L136 HydrophobicContact CD2-CD1 4.11Å; L117-L139 HydrophobicContact CB-CD1 3.76Å; L117-I141 PolarHBondContact N-O 2.04Å; L117-L142 HydrophobicContact CB-CD1 4.07Å; L117-L142 HydrophobicContact CD2-CD1 3.99Å; L117-L142 HydrophobicContact CG-CD1 4.05Å; L117-L142 CarbonylContact O-C 3.55Å; L117-L142 VanDerWaalsContact O-CA 3.3Å; L117-L142 WeakPolarHBondContact O-CA 3.34Å; L117-D143 PolarHBondContact O-N 3.05Å
118	S	93.8	Very high	79.9	Confident	10 Å²	10	33.7 Å²	33.7	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.2	177	178.9	0	0	0	0	109	L92 F93 I94 D143	L92-S118 PolarHBondContact O-N 2.9Å; F93-S118 CarbonylContact C-O 3.52Å; F93-S118 WeakPolarHBondContact CA-O 3.19Å; I94-S118 PolarHBondContact N-O 3.35Å; S118-D143 CarbonylContact C-O 3.16Å; S118-D143 WeakPolarHBondContact CA-O 3.47Å
119	I	90.7	Very high	80.7	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	80.5	177.8	-48.6	179.7	0	0	0	107.8	I94 L99 L117 C122 I124 D143 L144 N147	I94-I119 HydrophobicContact CB-CG1 4.45Å; I94-I119 HydrophobicContact CB-CG2 4.26Å; I94-I119 HydrophobicContact CD1-CG1 4.37Å; I94-I119 HydrophobicContact CG2-CG2 4.48Å; I94-I119 CarbonylContact O-C 3.55Å; I94-I119 WeakPolarHBondContact O-CA 3.45Å; L99-I119 HydrophobicContact CD2-CG2 3.89Å; L117-I119 HydrophobicContact CD1-CD1 4.15Å; L117-I119 HydrophobicContact CD1-CG1 4.01Å; L117-I119 HydrophobicContact CD2-CD1 4.4Å; L117-I119 HydrophobicContact CG-CD1 4.33Å; L117-I119 HydrophobicContact CG-CG1 4.25Å; I119-C122 HydrophobicContact CG2-CB 4.18Å; I119-I124 HydrophobicContact CG2-CD1 3.65Å; I119-D143 PolarHBondContact N-O 2.9Å; I119-L144 HydrophobicContact CB-CD2 4.07Å; I119-N147 PolarHBondContact O-ND2 3.05Å
120	T	92.4	Very high	81.5	Confident	24 Å²	24	32.3 Å²	32.3	15%	0.147	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148.5	-166.8	54.6	0	0	0	0	112.8	I94 S95 N96 C122 D143 S145	I94-T120 PolarHBondContact O-N 2.94Å; S95-T120 VanDerWaalsContact CA-O 3.29Å; S95-T120 WeakPolarHBondContact CA-O 3.43Å; N96-T120 PolarHBondContact N-O 2.89Å; T120-C122 PolarHBondContact O-N 3.26Å; T120-D143 HydrophobicContact CG2-CB 4.18Å; T120-D143 WeakPolarHBondContact CG2-OD1 3.39Å; T120-S145 WeakPolarHBondContact CA-O 3.35Å; T120-S145 WeakPolarHBondContact CG2-OG 3.45Å
121	N	90.6	Very high	81.8	Confident	74 Å²	74	32.3 Å²	32.3	40%	0.396	18%	0.175	S	C	.	.	S	Bend	trans	53	39.9	-177.9	-166.2	27.5	0	0	0	113.8	N96 S145 L146	N96-N121 PolarHBondContact OD1-ND2 2.7Å; N121-S145 PolarHBondContact N-O 3.42Å; N121-L146 VanDerWaalsContact CA-O 3.27Å; N121-L146 WeakPolarHBondContact CA-O 3.31Å; N121-L146 HydrophobicContact CB-CB 4.14Å
122	C	88.6	Confident	82.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-100.5	0.2	-177.7	-77.6	0	0	0	0	114.3	I97 L99 I119 T120 I124 N147	I97-C122 WeakPolarHBondContact O-CA 3.43Å; I97-C122 VanDerWaalsContact O-CB 3.31Å; I97-C122 WeakPolarHBondContact O-CB 3.5Å; I97-C122 PolarHBondContact O-SG 2.77Å; L99-C122 HydrophobicContact CB-CB 3.91Å; L99-C122 PolarHBondContact N-O 3.44Å; I119-C122 HydrophobicContact CG2-CB 4.18Å; T120-C122 PolarHBondContact O-N 3.26Å; C122-I124 HydrophobicContact CB-CD1 3.69Å; C122-I124 HydrophobicContact CB-CG1 3.73Å; C122-I124 PolarHBondContact O-N 3.04Å; C122-N147 WeakPolarHBondContact CA-OD1 3.29Å; C122-N147 WeakPolarHBondContact CB-OD1 3.45Å; C122-N147 PolarHBondContact N-OD1 2.83Å; C122-N147 VanDerWaalsContact N-OD1 3.11Å
123	S	88.5	Confident	82.9	Confident	30 Å²	30	29.8 Å²	29.8	21%	0.21	16%	0.155	C	C	.	.			trans	55	27.8	-174.6	-76.4	0	0	0	0	114.6	R125 N147 K148	S123-R125 PolarHBondContact O-N 3Å; S123-N147 PolarHBondContact N-OD1 3.29Å; S123-K148 PolarHBondContact OG-NZ 3.05Å
124	I	87	Confident	82.7	Confident	5 Å²	5	29 Å²	29	3%	0.026	15%	0.151	C	C	.	.			trans	-66.1	120.8	179.9	-58.4	158.1	0	0	0	109.3	L99 I101 I119 C122 L127 N147 K148 L149	L99-I124 HydrophobicContact CB-CG1 4.37Å; L99-I124 HydrophobicContact CD2-CD1 4.48Å; I101-I124 HydrophobicContact CD1-CD1 3.55Å; I101-I124 HydrophobicContact CD1-CG1 3.9Å; I101-I124 HydrophobicContact CD1-CG2 4.02Å; I101-I124 HydrophobicContact CG1-CD1 4.45Å; I101-I124 HydrophobicContact CG1-CG1 4.36Å; I119-I124 HydrophobicContact CG2-CD1 3.65Å; C122-I124 HydrophobicContact CB-CD1 3.69Å; C122-I124 HydrophobicContact CB-CG1 3.73Å; C122-I124 PolarHBondContact O-N 3.04Å; I124-L127 HydrophobicContact CG2-CD2 3.96Å; I124-N147 HydrophobicContact CB-CB 4.32Å; I124-N147 WeakPolarHBondContact CG1-OD1 3.21Å; I124-N147 PolarHBondContact N-OD1 2.68Å; I124-N147 VanDerWaalsContact N-OD1 3.1Å; I124-K148 CarbonylContact O-C 3.57Å; I124-K148 WeakPolarHBondContact O-CA 3.23Å; I124-K148 PolarHBondContact O-N 3.34Å; I124-L149 HydrophobicContact CB-CD2 4.35Å; I124-L149 HydrophobicContact CG2-CD2 3.77Å; I124-L149 PolarHBondContact O-N 2.81Å
125	R	84.7	Confident	82	Confident	148 Å²	148	30.7 Å²	30.7	56%	0.558	17%	0.169	S	C	*	.			trans	-86.2	-28.8	178.1	-61.9	-172.3	-171.5	-173.1	3.1	113.8	S123 K148 E285	S123-R125 PolarHBondContact O-N 3Å; R125-K148 WeakPolarHBondContact CA-O 3.28Å; R125-K148 HydrophobicContact CG-CB 4.34Å; R125-E285 IonicContact CZ-OE1 3.91Å; R125-E285 IonicContact NH1-OE1 3.92Å; R125-E285 PolarHBondContact NH1-OE1 2.88Å; R125-E285 IonicContact NH1-OE2 3.73Å; R125-E285 PolarHBondContact NH1-OE2 2.87Å; R125-E285 VanDerWaalsContact NH1-OE2 3.09Å
126	S	79.5	Confident	81.4	Confident	29 Å²	29	28.8 Å²	28.8	20%	0.203	16%	0.157	C	C	.	.			trans	-158.7	148.1	-178	65.2	0	0	0	0	110.5	R103	R103-S126 PolarHBondContact NH2-OG 3.35Å
127	L	80.9	Confident	80.9	Confident	10 Å²	10	31.5 Å²	31.5	5%	0.052	17%	0.174	C	C	.	.			trans	-93.1	157	174.3	-60.5	171.3	0	0	0	111.7	I101 I124 L132 L144 L149 L152 P153 I156	I101-L127 HydrophobicContact CD1-CD2 4.11Å; I124-L127 HydrophobicContact CG2-CD2 3.96Å; L127-L132 HydrophobicContact CB-CD2 4.22Å; L127-L132 HydrophobicContact CD1-CD2 3.85Å; L127-L132 HydrophobicContact CD2-CD2 3.94Å; L127-L132 HydrophobicContact CG-CD2 4.21Å; L127-L144 HydrophobicContact CD1-CD1 3.9Å; L127-L149 HydrophobicContact CD1-CD1 4.38Å; L127-L149 HydrophobicContact CD1-CD2 4.49Å; L127-L149 HydrophobicContact CD2-CD2 4.3Å; L127-L149 HydrophobicContact CG-CD2 3.91Å; L127-L152 HydrophobicContact CD1-CD2 3.6Å; L127-P153 HydrophobicContact CB-CG 3.9Å; L127-I156 HydrophobicContact CD1-CD1 3.47Å; L127-I156 VanDerWaalsContact CD1-CD1 3.47Å
128	P	74.4	Confident	80.7	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.188	C	C	.	.			trans	-60.7	135	165.6	24.5	-32.9	0	0	0	108.8	I101 L132	I101-P128 HydrophobicContact CG2-CG 3.8Å; P128-L132 HydrophobicContact CG-CB 4.12Å; P128-L132 HydrophobicContact CG-CD1 3.63Å; P128-L132 HydrophobicContact CG-CG 4.4Å
129	P	66.2	Low	80.6	Confident	21 Å²	21	33 Å²	33	14%	0.136	18%	0.184	C	C	.	.	S	Bend	trans	-73.9	-37.9	-172.8	14.8	-15.4	0	0	0	112.9	P153 E267 S280	P129-P153 HydrophobicContact CB-CB 4.31Å; P129-E267 WeakPolarHBondContact CB-OE1 3.28Å; P129-E267 WeakPolarHBondContact CB-OE2 3.38Å; P129-S280 WeakPolarHBondContact CG-OG 3.29Å
130	F	66.4	Low	80.7	Confident	97 Å²	97	39.6 Å²	39.6	43%	0.425	21%	0.209	S	C	.	.	S	Bend	trans	-107.8	150.9	174.1	-43.7	-49.5	0	0	0	110.9	L132 E267 F269 S280	F130-L132 PolarHBondContact O-N 2.83Å; F130-E267 WeakPolarHBondContact CE1-OE2 3.46Å; F130-E267 WeakPolarHBondContact CZ-OE2 3.41Å; F130-F269 HydrophobicContact CE1-CE1 4.25Å; F130-F269 AromaticContact CE1-CZ 3.92Å; F130-F269 HydrophobicContact CE1-CZ 3.92Å; F130-F269 HydrophobicContact CE2-CE1 4.09Å; F130-F269 HydrophobicContact CE2-CZ 4.49Å; F130-F269 AromaticContact CZ-CE1 3.45Å; F130-F269 HydrophobicContact CZ-CE1 3.45Å; F130-F269 VanDerWaalsContact CZ-CE1 3.45Å; F130-F269 AromaticContact CZ-CZ 3.45Å; F130-F269 HydrophobicContact CZ-CZ 3.45Å; F130-F269 VanDerWaalsContact CZ-CZ 3.45Å; F130-S280 WeakPolarHBondContact CE2-OG 3.33Å
131	G	64.3	Low	80.8	Confident	11 Å²	11	41.7 Å²	41.7	11%	0.113	22%	0.219	C	C	.	.	S	Bend	trans	82.6	-5.1	165.7	0	0	0	0	0	117.2
132	L	72.6	Confident	81	Confident	10 Å²	10	38.2 Å²	38.2	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	-65	-50.8	-178	-167.3	76.2	0	0	0	112.7	I101 L107 L127 P128 F130 I156	I101-L132 HydrophobicContact CG2-CD1 4.47Å; L107-L132 WeakPolarHBondContact CB-O 3.47Å; L107-L132 HydrophobicContact CD1-CD1 3.6Å; L107-L132 HydrophobicContact CD1-CG 4.07Å; L107-L132 VanDerWaalsContact CD1-O 3.23Å; L107-L132 WeakPolarHBondContact CD1-O 3.01Å; L107-L132 HydrophobicContact CG-CD1 4.25Å; L127-L132 HydrophobicContact CB-CD2 4.22Å; L127-L132 HydrophobicContact CD1-CD2 3.85Å; L127-L132 HydrophobicContact CD2-CD2 3.94Å; L127-L132 HydrophobicContact CG-CD2 4.21Å; P128-L132 HydrophobicContact CG-CB 4.12Å; P128-L132 HydrophobicContact CG-CD1 3.63Å; P128-L132 HydrophobicContact CG-CG 4.4Å; F130-L132 PolarHBondContact O-N 2.83Å; L132-I156 HydrophobicContact CD2-CD1 4.01Å
133	L	77.5	Confident	81.3	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-107.2	15	-179.9	-50.5	-177.2	0	0	0	112.2	L117 G135 L136 L139 L142 I156 F157	L117-L133 HydrophobicContact CD2-CD2 4.25Å; L133-G135 PolarHBondContact O-N 3.31Å; L133-L136 HydrophobicContact CD2-CD1 3.9Å; L133-L136 PolarHBondContact O-N 3.25Å; L133-L139 HydrophobicContact CD2-CD2 4.14Å; L133-L142 HydrophobicContact CD1-CD2 3.76Å; L133-L142 HydrophobicContact CD2-CD1 4.35Å; L133-L142 HydrophobicContact CD2-CD2 4.45Å; L133-I156 HydrophobicContact CD1-CG1 3.91Å; L133-I156 WeakPolarHBondContact CD1-O 3.37Å; L133-I156 HydrophobicContact CG-CG1 4.28Å; L133-F157 HydrophobicContact CD1-CD1 3.96Å; L133-F157 HydrophobicContact CD1-CE1 4.32Å
134	L	75.6	Confident	81.6	Confident	67 Å²	67	38.4 Å²	38.4	35%	0.351	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	121.2	-176.7	-173.6	60.2	0	0	0	110.4	L136 Y159	L134-L136 VanDerWaalsContact C-N 3.32Å; L134-Y159 HydrophobicContact CD1-CD1 3.44Å; L134-Y159 VanDerWaalsContact CD1-CD1 3.44Å; L134-Y159 HydrophobicContact CD1-CD2 4.07Å; L134-Y159 HydrophobicContact CD1-CE1 3.75Å; L134-Y159 HydrophobicContact CD1-CE2 4.37Å; L134-Y159 HydrophobicContact CD1-CG 3.62Å
135	G	71.3	Confident	82	Confident	37 Å²	37	38.5 Å²	38.5	38%	0.381	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-9.4	-174.3	0	0	0	0	0	114.9	L133 T137	L133-G135 PolarHBondContact O-N 3.31Å; G135-T137 PolarHBondContact O-N 2.91Å
136	L	80.3	Confident	82.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.195	C	C	.	.			trans	-77.4	60.7	172.7	-66.9	-173.6	0	0	0	111.6	I110 L114 L117 L133 L134 L139 S160	I110-L136 HydrophobicContact CB-CD2 3.71Å; I110-L136 HydrophobicContact CD1-CD1 4.39Å; I110-L136 HydrophobicContact CD1-CD2 4.07Å; I110-L136 HydrophobicContact CG1-CD2 4.37Å; I110-L136 HydrophobicContact CG2-CD2 3.65Å; L114-L136 HydrophobicContact CB-CD2 4.08Å; L114-L136 HydrophobicContact CD2-CD1 4.46Å; L114-L136 HydrophobicContact CD2-CD2 4.03Å; L117-L136 HydrophobicContact CD2-CD1 4.11Å; L133-L136 HydrophobicContact CD2-CD1 3.9Å; L133-L136 PolarHBondContact O-N 3.25Å; L134-L136 VanDerWaalsContact C-N 3.32Å; L136-L139 HydrophobicContact CB-CB 4.09Å; L136-L139 HydrophobicContact CB-CD2 4.38Å; L136-L139 HydrophobicContact CD1-CD2 4.15Å; L136-L139 WeakPolarHBondContact O-CB 3.36Å; L136-L139 PolarHBondContact O-N 3.28Å; L136-S160 PolarHBondContact O-OG 2.82Å
137	T	82.2	Confident	83.1	Confident	72 Å²	72	34.6 Å²	34.6	44%	0.442	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-28.4	-172.9	56.4	0	0	0	0	113.4	G135 N162	G135-T137 PolarHBondContact O-N 2.91Å; T137-N162 PolarHBondContact O-ND2 3.12Å
138	S	87.6	Confident	83.7	Confident	44 Å²	44	38.9 Å²	38.9	31%	0.308	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.7	174.9	-67.3	0	0	0	0	115	S112 L114 R140	S112-S138 WeakPolarHBondContact O-CB 3.49Å; S112-S138 PolarHBondContact O-OG 3.2Å; L114-S138 CarbonylContact O-C 3.49Å; S138-R140 PolarHBondContact O-N 3.2Å
139	L	90.7	Very high	84.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.			trans	-65.4	128.3	-175.6	-167.2	74.3	0	0	0	111	L114 L117 L133 L136 L142 N162 L163	L114-L139 HydrophobicContact CD2-CD1 4.33Å; L114-L139 WeakPolarHBondContact O-CA 3.27Å; L114-L139 PolarHBondContact O-N 2.97Å; L114-L139 VanDerWaalsContact O-N 3.12Å; L117-L139 HydrophobicContact CB-CD1 3.76Å; L133-L139 HydrophobicContact CD2-CD2 4.14Å; L136-L139 HydrophobicContact CB-CB 4.09Å; L136-L139 HydrophobicContact CB-CD2 4.38Å; L136-L139 HydrophobicContact CD1-CD2 4.15Å; L136-L139 WeakPolarHBondContact O-CB 3.36Å; L136-L139 PolarHBondContact O-N 3.28Å; L139-L142 HydrophobicContact CD2-CB 4.41Å; L139-N162 CarbonylContact O-C 3.54Å; L139-L163 HydrophobicContact CD2-CD1 4.08Å; L139-L163 HydrophobicContact CG-CD1 4.15Å; L139-L163 WeakPolarHBondContact O-CA 3.12Å; L139-L163 PolarHBondContact O-N 3.44Å; L139-L163 VanDerWaalsContact O-N 3.15Å
140	R	94	Very high	85.4	Confident	146 Å²	146	41.2 Å²	41.2	55%	0.551	22%	0.222	S	C	*	.			trans	-117.3	-34.6	179.6	-64.3	-175.7	-179.9	-168.8	-4	112.8	V115 S138 N162 A164 F165	V115-R140 HydrophobicContact CG1-CB 4Å; V115-R140 HydrophobicContact CG1-CG 3.97Å; V115-R140 PolarHBondContact O-N 2.87Å; S138-R140 PolarHBondContact O-N 3.2Å; R140-N162 WeakPolarHBondContact CA-O 3.45Å; R140-N162 HydrophobicContact CG-CB 4.44Å; R140-A164 PolarHBondContact O-N 3.3Å; R140-F165 PolarHBondContact O-N 3.36Å
141	I	95	Very high	86.3	Confident	69 Å²	69	43.9 Å²	43.9	35%	0.354	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.7	-176.2	-62.3	175.1	0	0	0	108.5	V115 T116 L117 F165	V115-I141 PolarHBondContact O-N 2.76Å; T116-I141 WeakPolarHBondContact CA-O 3.4Å; T116-I141 HydrophobicContact CG2-CB 4.07Å; T116-I141 HydrophobicContact CG2-CG2 3.92Å; L117-I141 PolarHBondContact N-O 2.04Å; I141-F165 WeakPolarHBondContact CA-O 3.17Å; I141-F165 HydrophobicContact CG2-CD1 4.33Å
142	L	94.1	Very high	87.4	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.7	172.3	177.2	67	0	0	0	109.9	L117 L133 L139 L144 F157 L163 F165 V166 N167	L117-L142 HydrophobicContact CB-CD1 4.07Å; L117-L142 HydrophobicContact CD2-CD1 3.99Å; L117-L142 HydrophobicContact CG-CD1 4.05Å; L117-L142 CarbonylContact O-C 3.55Å; L117-L142 VanDerWaalsContact O-CA 3.3Å; L117-L142 WeakPolarHBondContact O-CA 3.34Å; L133-L142 HydrophobicContact CD1-CD2 3.76Å; L133-L142 HydrophobicContact CD2-CD1 4.35Å; L133-L142 HydrophobicContact CD2-CD2 4.45Å; L139-L142 HydrophobicContact CD2-CB 4.41Å; L142-L144 HydrophobicContact CD1-CD1 4.41Å; L142-L144 HydrophobicContact CD1-CD2 4.26Å; L142-L144 HydrophobicContact CD1-CG 4.11Å; L142-L144 HydrophobicContact CD2-CD1 4.01Å; L142-L144 HydrophobicContact CD2-CG 4.44Å; L142-L144 HydrophobicContact CG-CD1 4.22Å; L142-L144 HydrophobicContact CG-CG 4.09Å; L142-F157 HydrophobicContact CD2-CD1 4.5Å; L142-F157 HydrophobicContact CD2-CE1 3.79Å; L142-L163 HydrophobicContact CB-CD1 3.99Å; L142-F165 PolarHBondContact N-O 2.95Å; L142-F165 VanDerWaalsContact N-O 3.07Å; L142-V166 HydrophobicContact CB-CG1 4.38Å; L142-V166 HydrophobicContact CB-CG2 4.4Å; L142-V166 HydrophobicContact CD2-CG1 4.23Å; L142-V166 HydrophobicContact CG-CG1 4.44Å; L142-V166 CarbonylContact O-C 3.6Å; L142-V166 VanDerWaalsContact O-CA 3.26Å; L142-V166 WeakPolarHBondContact O-CA 3.4Å; L142-N167 PolarHBondContact O-N 3.45Å
143	D	95.2	Very high	88	Confident	31 Å²	31	44.8 Å²	44.8	17%	0.166	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.4	173.6	-160.7	-37.6	0	0	0	110.6	L117 S118 I119 T120 S145 N167	L117-D143 PolarHBondContact O-N 3.05Å; S118-D143 CarbonylContact C-O 3.16Å; S118-D143 WeakPolarHBondContact CA-O 3.47Å; I119-D143 PolarHBondContact N-O 2.9Å; T120-D143 HydrophobicContact CG2-CB 4.18Å; T120-D143 WeakPolarHBondContact CG2-OD1 3.39Å; D143-S145 VanDerWaalsContact OD1-CB 3.22Å; D143-S145 WeakPolarHBondContact OD1-CB 3.27Å; D143-S145 PolarHBondContact OD1-N 3.41Å; D143-S145 PolarHBondContact OD1-OG 3.26Å; D143-N167 HydrophobicContact CB-CB 4.23Å; D143-N167 PolarHBondContact OD1-ND2 2.92Å; D143-N167 PolarHBondContact OD2-ND2 2.99Å
144	L	94.1	Very high	88	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.235	C	C	.	.			trans	-126.7	21.4	176	-61.4	173.3	0	0	0	111.1	I119 L127 L142 N147 L149 N167 L168 N171	I119-L144 HydrophobicContact CB-CD2 4.07Å; L127-L144 HydrophobicContact CD1-CD1 3.9Å; L142-L144 HydrophobicContact CD1-CD1 4.41Å; L142-L144 HydrophobicContact CD1-CD2 4.26Å; L142-L144 HydrophobicContact CD1-CG 4.11Å; L142-L144 HydrophobicContact CD2-CD1 4.01Å; L142-L144 HydrophobicContact CD2-CG 4.44Å; L142-L144 HydrophobicContact CG-CD1 4.22Å; L142-L144 HydrophobicContact CG-CG 4.09Å; L144-N147 PolarHBondContact O-ND2 3.32Å; L144-L149 HydrophobicContact CB-CD1 4.19Å; L144-L149 HydrophobicContact CD1-CD1 4.46Å; L144-N167 PolarHBondContact N-O 3.46Å; L144-L168 HydrophobicContact CB-CD2 4.23Å; L144-L168 HydrophobicContact CD1-CD2 4.37Å; L144-N171 PolarHBondContact O-ND2 3.33Å
145	S	95.1	Very high	88.3	Confident	8 Å²	8	44 Å²	44	6%	0.056	23%	0.229	C	C	.	.			trans	-65.5	162.6	-178.9	61.1	0	0	0	0	113.7	T120 N121 D143 N147 N167 S169	T120-S145 WeakPolarHBondContact CA-O 3.35Å; T120-S145 WeakPolarHBondContact CG2-OG 3.45Å; N121-S145 PolarHBondContact N-O 3.42Å; D143-S145 VanDerWaalsContact OD1-CB 3.22Å; D143-S145 WeakPolarHBondContact OD1-CB 3.27Å; D143-S145 PolarHBondContact OD1-N 3.41Å; D143-S145 PolarHBondContact OD1-OG 3.26Å; S145-N147 PolarHBondContact O-N 2.88Å; S145-N147 PolarHBondContact O-ND2 3.02Å; S145-N167 WeakPolarHBondContact CB-ND2 3.41Å; S145-N167 PolarHBondContact OG-ND2 3.02Å; S145-S169 CarbonylContact C-O 3.58Å; S145-S169 WeakPolarHBondContact CA-O 3.36Å; S145-S169 WeakPolarHBondContact CB-O 3.37Å; S145-S169 VanDerWaalsContact CB-OG 3.32Å; S145-S169 WeakPolarHBondContact CB-OG 3.39Å
146	L	95.1	Very high	88.9	Confident	87 Å²	87	43 Å²	43	46%	0.455	22%	0.215	S	C	.	.	S	Bend	trans	59.4	31.8	179.8	-61.3	159.6	0	0	0	113.1	N121 S169 H170	N121-L146 VanDerWaalsContact CA-O 3.27Å; N121-L146 WeakPolarHBondContact CA-O 3.31Å; N121-L146 HydrophobicContact CB-CB 4.14Å; L146-S169 PolarHBondContact N-O 2.92Å; L146-H170 WeakPolarHBondContact CA-O 3.35Å; L146-H170 HydrophobicContact CD2-CB 3.69Å; L146-H170 HydrophobicContact CG-CB 4.2Å; L146-H170 PolarHBondContact N-O 2.85Å
147	N	93.1	Very high	89.3	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.043	22%	0.215	C	C	.	.	S	Bend	trans	-107	-165.7	175.2	-78.1	-67.3	0	0	0	110.7	I119 C122 S123 I124 L144 S145 L149 H170 N171	I119-N147 PolarHBondContact O-ND2 3.05Å; C122-N147 WeakPolarHBondContact CA-OD1 3.29Å; C122-N147 WeakPolarHBondContact CB-OD1 3.45Å; C122-N147 PolarHBondContact N-OD1 2.83Å; C122-N147 VanDerWaalsContact N-OD1 3.11Å; S123-N147 PolarHBondContact N-OD1 3.29Å; I124-N147 HydrophobicContact CB-CB 4.32Å; I124-N147 WeakPolarHBondContact CG1-OD1 3.21Å; I124-N147 PolarHBondContact N-OD1 2.68Å; I124-N147 VanDerWaalsContact N-OD1 3.1Å; L144-N147 PolarHBondContact O-ND2 3.32Å; S145-N147 PolarHBondContact O-N 2.88Å; S145-N147 PolarHBondContact O-ND2 3.02Å; N147-L149 HydrophobicContact CB-CD1 4.47Å; N147-L149 HydrophobicContact CB-CG 4.16Å; N147-H170 PolarHBondContact N-O 2.86Å; N147-N171 WeakPolarHBondContact CA-OD1 3.1Å; N147-N171 WeakPolarHBondContact CB-OD1 3.35Å; N147-N171 PolarHBondContact O-OD1 2.79Å
148	K	92.2	Very high	89.3	Confident	100 Å²	100	43.1 Å²	43.1	44%	0.435	21%	0.21	S	C	.	.			trans	-124.8	30.8	-177	-68.2	170.4	-180	157.5	0	110.5	S123 I124 R125 S150 N171 L172	S123-K148 PolarHBondContact OG-NZ 3.05Å; I124-K148 CarbonylContact O-C 3.57Å; I124-K148 WeakPolarHBondContact O-CA 3.23Å; I124-K148 PolarHBondContact O-N 3.34Å; R125-K148 WeakPolarHBondContact CA-O 3.28Å; R125-K148 HydrophobicContact CG-CB 4.34Å; K148-S150 PolarHBondContact O-N 3.45Å; K148-N171 PolarHBondContact N-OD1 3.44Å; K148-L172 HydrophobicContact CB-CD1 4.29Å
149	L	90.7	Very high	88.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.			trans	-70.3	111.7	-177.4	-59.8	172.5	0	0	0	109.5	I124 L127 L144 N147 L152 N171 L172 L173	I124-L149 HydrophobicContact CB-CD2 4.35Å; I124-L149 HydrophobicContact CG2-CD2 3.77Å; I124-L149 PolarHBondContact O-N 2.81Å; L127-L149 HydrophobicContact CD1-CD1 4.38Å; L127-L149 HydrophobicContact CD1-CD2 4.49Å; L127-L149 HydrophobicContact CD2-CD2 4.3Å; L127-L149 HydrophobicContact CG-CD2 3.91Å; L144-L149 HydrophobicContact CB-CD1 4.19Å; L144-L149 HydrophobicContact CD1-CD1 4.46Å; N147-L149 HydrophobicContact CB-CD1 4.47Å; N147-L149 HydrophobicContact CB-CG 4.16Å; L149-L152 HydrophobicContact CD1-CD2 4.02Å; L149-N171 HydrophobicContact CB-CB 4.37Å; L149-N171 VanDerWaalsContact CB-OD1 3.27Å; L149-N171 WeakPolarHBondContact CB-OD1 3.41Å; L149-N171 WeakPolarHBondContact CG-OD1 3.45Å; L149-N171 PolarHBondContact N-OD1 3.21Å; L149-L172 CarbonylContact O-C 3.38Å; L149-L172 VanDerWaalsContact O-C 3.25Å; L149-L172 WeakPolarHBondContact O-CA 3.37Å; L149-L172 PolarHBondContact O-N 3.32Å; L149-L173 HydrophobicContact CB-CD2 4.28Å; L149-L173 WeakPolarHBondContact O-CD2 3.46Å; L149-L173 PolarHBondContact O-N 2.87Å
150	S	87.4	Confident	88.6	Confident	70 Å²	70	46.8 Å²	46.8	49%	0.49	22%	0.219	S	C	.	.	S	Bend	trans	-88.8	-23.4	173.5	57.4	0	0	0	0	113.3	K148 L172	K148-S150 PolarHBondContact O-N 3.45Å; S150-L172 WeakPolarHBondContact CA-O 3.47Å
151	R	84.5	Confident	88.2	Confident	153 Å²	153	47.4 Å²	47.4	58%	0.577	23%	0.225	S	C	*	.			trans	-146.9	151.9	172.7	60.4	177.3	177.8	172.4	-1.6	110.4
152	L	87.6	Confident	87.9	Confident	22 Å²	22	48.3 Å²	48.3	12%	0.115	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-99.6	154.4	166.7	-68.2	169.7	0	0	0	109.6	L127 L149 I156 F157 L168 L173 P177	L127-L152 HydrophobicContact CD1-CD2 3.6Å; L149-L152 HydrophobicContact CD1-CD2 4.02Å; L152-I156 HydrophobicContact CB-CG2 4.45Å; L152-I156 HydrophobicContact CD2-CD1 4.33Å; L152-F157 HydrophobicContact CD1-CZ 4.33Å; L152-L168 HydrophobicContact CD1-CD1 3.74Å; L152-L168 HydrophobicContact CD1-CD2 4.1Å; L152-L173 HydrophobicContact CD1-CD1 4.34Å; L152-L173 HydrophobicContact CG-CD2 4.16Å; L152-P177 HydrophobicContact CD1-CB 3.93Å; L152-P177 HydrophobicContact CD1-CG 4.35Å
153	P	84.2	Confident	87.8	Confident	18 Å²	18	48.8 Å²	48.8	12%	0.117	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-56.1	155.4	169.9	-26.2	35.6	0	0	0	113	L127 P129 I156 E267	L127-P153 HydrophobicContact CB-CG 3.9Å; P129-P153 HydrophobicContact CB-CB 4.31Å; P153-I156 HydrophobicContact CB-CB 4.18Å; P153-I156 HydrophobicContact CG-CB 4.43Å; P153-I156 HydrophobicContact CG-CD1 4.49Å; P153-E267 WeakPolarHBondContact CA-OE1 3.26Å
154	V	78.9	Confident	87.7	Confident	12 Å²	12	50 Å²	50	7%	0.073	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	142.4	164	-177.8	0	0	0	0	108	I156 E267 H333 S335	V154-I156 PolarHBondContact O-N 3.48Å; V154-E267 HydrophobicContact CB-CG 4.15Å; V154-E267 HydrophobicContact CG2-CG 3.95Å; V154-E267 PolarHBondContact N-OE1 2.72Å; V154-H333 WeakPolarHBondContact CG1-CD2 3.3Å; V154-H333 VanDerWaalsContact CG1-NE2 3.28Å; V154-H333 WeakPolarHBondContact CG1-NE2 3.4Å; V154-S335 VanDerWaalsContact CG1-N 3.26Å
155	D	80.6	Confident	87.7	Confident	44 Å²	44	52.9 Å²	52.9	24%	0.235	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	15.2	178.1	-68.5	-4	0	0	0	117.4	F157 Q158 H333	D155-F157 PolarHBondContact O-N 2.69Å; D155-Q158 HydrophobicContact CB-CB 3.88Å; D155-Q158 WeakPolarHBondContact O-CB 3.43Å; D155-Q158 PolarHBondContact O-N 3.48Å; D155-Q158 PolarHBondContact OD2-NE2 2.89Å; D155-H333 IonicContact OD1-NE2 3.77Å; D155-H333 IonicContact OD2-CE1 2.75Å; D155-H333 IonicContact OD2-NE2 3.63Å; D155-H333 PolarHBondContact OD2-NE2 3.48Å; D155-H333 VanDerWaalsContact OD2-NE2 3.11Å
156	I	84.9	Confident	87.7	Confident	15 Å²	15	52.5 Å²	52.5	8%	0.077	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-40.4	175.2	179.8	167.1	0	0	0	113.4	L127 L132 L133 L152 P153 V154	L127-I156 HydrophobicContact CD1-CD1 3.47Å; L127-I156 VanDerWaalsContact CD1-CD1 3.47Å; L132-I156 HydrophobicContact CD2-CD1 4.01Å; L133-I156 HydrophobicContact CD1-CG1 3.91Å; L133-I156 WeakPolarHBondContact CD1-O 3.37Å; L133-I156 HydrophobicContact CG-CG1 4.28Å; L152-I156 HydrophobicContact CB-CG2 4.45Å; L152-I156 HydrophobicContact CD2-CD1 4.33Å; P153-I156 HydrophobicContact CB-CB 4.18Å; P153-I156 HydrophobicContact CG-CB 4.43Å; P153-I156 HydrophobicContact CG-CD1 4.49Å; V154-I156 PolarHBondContact O-N 3.48Å
157	F	87.7	Confident	87.8	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.013	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-1.5	-177.9	-52.7	-46.8	0	0	0	114.6	L133 L142 L152 D155 Y159 S160 L163 V166 P177 L179 P180 F183	L133-F157 HydrophobicContact CD1-CD1 3.96Å; L133-F157 HydrophobicContact CD1-CE1 4.32Å; L142-F157 HydrophobicContact CD2-CD1 4.5Å; L142-F157 HydrophobicContact CD2-CE1 3.79Å; L152-F157 HydrophobicContact CD1-CZ 4.33Å; D155-F157 PolarHBondContact O-N 2.69Å; F157-Y159 VanDerWaalsContact C-N 3.26Å; F157-Y159 PolarHBondContact O-N 2.73Å; F157-S160 PolarHBondContact O-N 3.07Å; F157-L163 HydrophobicContact CB-CD2 4.27Å; F157-L163 HydrophobicContact CD1-CD2 3.55Å; F157-L163 HydrophobicContact CE1-CD2 4.16Å; F157-L163 HydrophobicContact CG-CD2 4.05Å; F157-V166 HydrophobicContact CE1-CG1 4.3Å; F157-V166 HydrophobicContact CE1-CG2 4.39Å; F157-V166 HydrophobicContact CZ-CG1 4.08Å; F157-P177 HydrophobicContact CE2-CB 3.85Å; F157-P177 HydrophobicContact CE2-CG 4.44Å; F157-L179 HydrophobicContact CD2-CD2 4.14Å; F157-L179 HydrophobicContact CE2-CD2 4.17Å; F157-P180 HydrophobicContact CB-CG 4.1Å; F157-F183 HydrophobicContact CB-CE1 4.44Å; F157-F183 HydrophobicContact CB-CZ 4.1Å; F157-F183 HydrophobicContact CD2-CE2 4.47Å; F157-F183 AromaticContact CD2-CZ 3.76Å; F157-F183 HydrophobicContact CD2-CZ 3.76Å; F157-F183 HydrophobicContact CE2-CZ 4.33Å; F157-F183 AromaticContact CG-CZ 3.89Å; F157-F183 HydrophobicContact CG-CZ 3.89Å
158	Q	83.1	Confident	87.9	Confident	72 Å²	72	48.9 Å²	48.9	34%	0.336	24%	0.239	S	C	.	.	S	Bend	trans	-59.5	-33.4	-171.9	-179.3	177.2	77.9	0	0	113.5	D155	D155-Q158 HydrophobicContact CB-CB 3.88Å; D155-Q158 WeakPolarHBondContact O-CB 3.43Å; D155-Q158 PolarHBondContact O-N 3.48Å; D155-Q158 PolarHBondContact OD2-NE2 2.89Å
159	Y	79.8	Confident	88.1	Confident	119 Å²	119	44.7 Å²	44.7	47%	0.467	22%	0.222	S	C	.	.	S	Bend	trans	-93.9	-23.2	-174	-60.5	-84.8	0	0	0	113.8	L134 F157 K161	L134-Y159 HydrophobicContact CD1-CD1 3.44Å; L134-Y159 VanDerWaalsContact CD1-CD1 3.44Å; L134-Y159 HydrophobicContact CD1-CD2 4.07Å; L134-Y159 HydrophobicContact CD1-CE1 3.75Å; L134-Y159 HydrophobicContact CD1-CE2 4.37Å; L134-Y159 HydrophobicContact CD1-CG 3.62Å; F157-Y159 VanDerWaalsContact C-N 3.26Å; F157-Y159 PolarHBondContact O-N 2.73Å; Y159-K161 VanDerWaalsContact C-N 3.34Å; Y159-K161 PolarHBondContact O-N 2.58Å
160	S	84.6	Confident	88.4	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	24%	0.241	C	C	.	.			trans	-86.2	68.9	-179.8	-65.7	0	0	0	0	111.9	L136 F157 N162 L163	L136-S160 PolarHBondContact O-OG 2.82Å; F157-S160 PolarHBondContact O-N 3.07Å; S160-N162 PolarHBondContact O-N 2.97Å; S160-L163 VanDerWaalsContact O-CB 3.24Å; S160-L163 WeakPolarHBondContact O-CB 3.27Å; S160-L163 PolarHBondContact O-N 3.06Å; S160-L163 VanDerWaalsContact O-N 3.08Å
161	K	84.1	Confident	88.8	Confident	158 Å²	158	45.6 Å²	45.6	69%	0.687	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.5	-174.8	-63.1	-174	179.1	-175.6	0	115.8	Y159	Y159-K161 VanDerWaalsContact C-N 3.34Å; Y159-K161 PolarHBondContact O-N 2.58Å
162	N	89.5	Confident	89.2	Confident	88 Å²	88	42.8 Å²	42.8	47%	0.471	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	5.7	178.8	-73.6	-61.4	0	0	0	113.7	T137 L139 R140 S160 A164	T137-N162 PolarHBondContact O-ND2 3.12Å; L139-N162 CarbonylContact O-C 3.54Å; R140-N162 WeakPolarHBondContact CA-O 3.45Å; R140-N162 HydrophobicContact CG-CB 4.44Å; S160-N162 PolarHBondContact O-N 2.97Å; N162-A164 PolarHBondContact O-N 3.48Å
163	L	91.4	Very high	89.5	Confident	12 Å²	12	42 Å²	42	6%	0.063	21%	0.21	C	C	.	.			trans	-64.8	124.8	-176.5	-160.4	64.6	0	0	0	110.4	L139 L142 F157 S160 V166 F183	L139-L163 HydrophobicContact CD2-CD1 4.08Å; L139-L163 HydrophobicContact CG-CD1 4.15Å; L139-L163 WeakPolarHBondContact O-CA 3.12Å; L139-L163 PolarHBondContact O-N 3.44Å; L139-L163 VanDerWaalsContact O-N 3.15Å; L142-L163 HydrophobicContact CB-CD1 3.99Å; F157-L163 HydrophobicContact CB-CD2 4.27Å; F157-L163 HydrophobicContact CD1-CD2 3.55Å; F157-L163 HydrophobicContact CE1-CD2 4.16Å; F157-L163 HydrophobicContact CG-CD2 4.05Å; S160-L163 VanDerWaalsContact O-CB 3.24Å; S160-L163 WeakPolarHBondContact O-CB 3.27Å; S160-L163 PolarHBondContact O-N 3.06Å; S160-L163 VanDerWaalsContact O-N 3.08Å; L163-V166 HydrophobicContact CD1-CG2 4.19Å; L163-V166 HydrophobicContact CD2-CG2 3.48Å; L163-V166 VanDerWaalsContact CD2-CG2 3.48Å; L163-V166 HydrophobicContact CG-CG2 3.72Å; L163-F183 HydrophobicContact CB-CD1 4.48Å; L163-F183 HydrophobicContact CB-CE1 4.49Å; L163-F183 HydrophobicContact CD2-CE1 4.23Å; L163-F183 HydrophobicContact CD2-CE2 4.17Å; L163-F183 HydrophobicContact CD2-CZ 3.87Å; L163-F183 WeakPolarHBondContact O-CB 3.1Å
164	A	93.1	Very high	89.8	Confident	56 Å²	56	45.1 Å²	45.1	46%	0.463	23%	0.226	S	C	.	.			trans	-120.8	-31.3	-171.6	0	0	0	0	0	112.7	R140 N162 Q184	R140-A164 PolarHBondContact O-N 3.3Å; N162-A164 PolarHBondContact O-N 3.48Å; A164-Q184 PolarHBondContact O-N 3.32Å; A164-Q184 VanDerWaalsContact O-N 3.12Å
165	F	95.1	Very high	90.3	Very high	62 Å²	62	47.3 Å²	47.3	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132.8	175.9	-178.9	-102.1	0	0	0	110.7	R140 I141 L142 N167 Q184	R140-F165 PolarHBondContact O-N 3.36Å; I141-F165 WeakPolarHBondContact CA-O 3.17Å; I141-F165 HydrophobicContact CG2-CD1 4.33Å; L142-F165 PolarHBondContact N-O 2.95Å; L142-F165 VanDerWaalsContact N-O 3.07Å; F165-N167 HydrophobicContact CE1-CB 3.81Å; F165-N167 HydrophobicContact CZ-CB 4.18Å; F165-Q184 CarbonylContact C-O 3.11Å; F165-Q184 WeakPolarHBondContact CA-O 3.43Å; F165-Q184 HydrophobicContact CD2-CB 4.03Å; F165-Q184 HydrophobicContact CD2-CG 3.78Å; F165-Q184 HydrophobicContact CE2-CG 4.1Å
166	V	95.1	Very high	90.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.1	172.1	-173.4	0	0	0	0	109.7	L142 F157 L163 L168 F183 Q184 V185 S186	L142-V166 HydrophobicContact CB-CG1 4.38Å; L142-V166 HydrophobicContact CB-CG2 4.4Å; L142-V166 HydrophobicContact CD2-CG1 4.23Å; L142-V166 HydrophobicContact CG-CG1 4.44Å; L142-V166 CarbonylContact O-C 3.6Å; L142-V166 VanDerWaalsContact O-CA 3.26Å; L142-V166 WeakPolarHBondContact O-CA 3.4Å; F157-V166 HydrophobicContact CE1-CG1 4.3Å; F157-V166 HydrophobicContact CE1-CG2 4.39Å; F157-V166 HydrophobicContact CZ-CG1 4.08Å; L163-V166 HydrophobicContact CD1-CG2 4.19Å; L163-V166 HydrophobicContact CD2-CG2 3.48Å; L163-V166 VanDerWaalsContact CD2-CG2 3.48Å; L163-V166 HydrophobicContact CG-CG2 3.72Å; V166-L168 HydrophobicContact CG1-CD1 4.49Å; V166-L168 HydrophobicContact CG1-CD2 3.98Å; V166-L168 HydrophobicContact CG1-CG 3.99Å; V166-F183 HydrophobicContact CB-CE2 4.25Å; V166-F183 HydrophobicContact CG2-CD2 3.87Å; V166-F183 HydrophobicContact CG2-CE2 3.43Å; V166-F183 VanDerWaalsContact CG2-CE2 3.43Å; V166-F183 HydrophobicContact CG2-CZ 4.26Å; V166-Q184 PolarHBondContact N-O 2.99Å; V166-V185 HydrophobicContact CB-CG1 4.4Å; V166-V185 HydrophobicContact CB-CG2 4.46Å; V166-V185 CarbonylContact O-C 3Å; V166-V185 VanDerWaalsContact O-CA 3.29Å; V166-V185 WeakPolarHBondContact O-CA 3.36Å; V166-S186 PolarHBondContact O-N 3.33Å
167	N	96.3	Very high	91	Very high	20 Å²	20	45.3 Å²	45.3	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.1	173.4	-173.2	18.6	0	0	0	110.7	L142 D143 L144 S145 F165 S169 S186	L142-N167 PolarHBondContact O-N 3.45Å; D143-N167 HydrophobicContact CB-CB 4.23Å; D143-N167 PolarHBondContact OD1-ND2 2.92Å; D143-N167 PolarHBondContact OD2-ND2 2.99Å; L144-N167 PolarHBondContact N-O 3.46Å; S145-N167 WeakPolarHBondContact CB-ND2 3.41Å; S145-N167 PolarHBondContact OG-ND2 3.02Å; F165-N167 HydrophobicContact CE1-CB 3.81Å; F165-N167 HydrophobicContact CZ-CB 4.18Å; N167-S169 WeakPolarHBondContact OD1-CB 3.1Å; N167-S169 PolarHBondContact OD1-N 3.04Å; N167-S169 VanDerWaalsContact OD1-N 3.11Å; N167-S169 PolarHBondContact OD1-OG 3.31Å; N167-S169 VanDerWaalsContact OD1-OG 3.1Å; N167-S186 WeakPolarHBondContact OD1-CB 3.45Å; N167-S186 PolarHBondContact OD1-OG 2.91Å
168	L	95.7	Very high	91	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.			trans	-119.7	11.8	177.3	-57.2	172.7	0	0	0	111.5	L144 L152 V166 N171 L173 P177 V185 S186 V187 N190	L144-L168 HydrophobicContact CB-CD2 4.23Å; L144-L168 HydrophobicContact CD1-CD2 4.37Å; L152-L168 HydrophobicContact CD1-CD1 3.74Å; L152-L168 HydrophobicContact CD1-CD2 4.1Å; V166-L168 HydrophobicContact CG1-CD1 4.49Å; V166-L168 HydrophobicContact CG1-CD2 3.98Å; V166-L168 HydrophobicContact CG1-CG 3.99Å; L168-N171 WeakPolarHBondContact O-CB 3.4Å; L168-N171 PolarHBondContact O-ND2 2.85Å; L168-L173 HydrophobicContact CB-CD1 3.97Å; L168-L173 HydrophobicContact CD1-CD1 3.84Å; L168-L173 HydrophobicContact CG-CD1 4.38Å; L168-P177 HydrophobicContact CD1-CG 3.85Å; L168-V185 HydrophobicContact CD1-CG1 3.82Å; L168-V185 HydrophobicContact CG-CG1 4.36Å; L168-S186 WeakPolarHBondContact CA-O 3.31Å; L168-S186 WeakPolarHBondContact CB-O 3.46Å; L168-S186 PolarHBondContact N-O 3.19Å; L168-V187 HydrophobicContact CD1-CG1 4.38Å; L168-N190 PolarHBondContact O-ND2 3.15Å
169	S	96.2	Very high	91.2	Very high	12 Å²	12	43.6 Å²	43.6	8%	0.084	22%	0.222	C	C	.	.			trans	-59.3	153.1	-174.1	66.9	0	0	0	0	113.4	S145 L146 N167 N171 S188	S145-S169 CarbonylContact C-O 3.58Å; S145-S169 WeakPolarHBondContact CA-O 3.36Å; S145-S169 WeakPolarHBondContact CB-O 3.37Å; S145-S169 VanDerWaalsContact CB-OG 3.32Å; S145-S169 WeakPolarHBondContact CB-OG 3.39Å; L146-S169 PolarHBondContact N-O 2.92Å; N167-S169 WeakPolarHBondContact OD1-CB 3.1Å; N167-S169 PolarHBondContact OD1-N 3.04Å; N167-S169 VanDerWaalsContact OD1-N 3.11Å; N167-S169 PolarHBondContact OD1-OG 3.31Å; N167-S169 VanDerWaalsContact OD1-OG 3.1Å; S169-N171 PolarHBondContact O-ND2 3.07Å; S169-S188 CarbonylContact C-O 3.57Å; S169-S188 WeakPolarHBondContact CA-O 3.43Å; S169-S188 VanDerWaalsContact CB-OG 3.24Å; S169-S188 WeakPolarHBondContact CB-OG 3.22Å
170	H	96.3	Very high	91.5	Very high	83 Å²	83	40.9 Å²	40.9	38%	0.384	22%	0.22	S	C	.	.	S	Bend	trans	51.5	59	-177	-48.7	-71	0	0	0	112.5	L146 N147 S188 D189	L146-H170 WeakPolarHBondContact CA-O 3.35Å; L146-H170 HydrophobicContact CD2-CB 3.69Å; L146-H170 HydrophobicContact CG-CB 4.2Å; L146-H170 PolarHBondContact N-O 2.85Å; N147-H170 PolarHBondContact N-O 2.86Å; H170-S188 PolarHBondContact N-O 2.89Å; H170-D189 IonicContact CE1-OD1 3.47Å; H170-D189 IonicContact CE1-OD2 3.32Å; H170-D189 PolarHBondContact CE1-OD2 2.9Å; H170-D189 VanDerWaalsContact CE1-OD2 3.24Å; H170-D189 WeakPolarHBondContact ND1-CB 3.22Å; H170-D189 IonicContact ND1-OD1 2.61Å; H170-D189 IonicContact ND1-OD2 2.99Å; H170-D189 IonicContact NE2-OD2 2.75Å
171	N	95.5	Very high	91.4	Very high	5 Å²	5	45 Å²	45	3%	0.027	24%	0.238	C	C	.	.	S	Bend	trans	-128.6	-169	171.7	-87	-80.7	0	0	0	109.5	L144 N147 K148 L149 L168 S169 L173 N190	L144-N171 PolarHBondContact O-ND2 3.33Å; N147-N171 WeakPolarHBondContact CA-OD1 3.1Å; N147-N171 WeakPolarHBondContact CB-OD1 3.35Å; N147-N171 PolarHBondContact O-OD1 2.79Å; K148-N171 PolarHBondContact N-OD1 3.44Å; L149-N171 HydrophobicContact CB-CB 4.37Å; L149-N171 VanDerWaalsContact CB-OD1 3.27Å; L149-N171 WeakPolarHBondContact CB-OD1 3.41Å; L149-N171 WeakPolarHBondContact CG-OD1 3.45Å; L149-N171 PolarHBondContact N-OD1 3.21Å; L168-N171 WeakPolarHBondContact O-CB 3.4Å; L168-N171 PolarHBondContact O-ND2 2.85Å; S169-N171 PolarHBondContact O-ND2 3.07Å; N171-L173 HydrophobicContact CB-CG 4.3Å; N171-N190 WeakPolarHBondContact CA-OD1 3.47Å; N171-N190 WeakPolarHBondContact CB-OD1 3.05Å; N171-N190 PolarHBondContact N-ND2 2.92Å; N171-N190 PolarHBondContact O-OD1 2.69Å
172	L	94.5	Very high	91.5	Very high	95 Å²	95	42.6 Å²	42.6	50%	0.497	24%	0.239	S	C	.	.			trans	-113.9	24.7	-176.4	-60.3	175.9	0	0	0	112.2	K148 L149 S150 N174 N190	K148-L172 HydrophobicContact CB-CD1 4.29Å; L149-L172 CarbonylContact O-C 3.38Å; L149-L172 VanDerWaalsContact O-C 3.25Å; L149-L172 WeakPolarHBondContact O-CA 3.37Å; L149-L172 PolarHBondContact O-N 3.32Å; S150-L172 WeakPolarHBondContact CA-O 3.47Å; L172-N174 PolarHBondContact O-N 2.85Å; L172-N190 PolarHBondContact N-OD1 3.42Å
173	L	92.2	Very high	91.6	Very high	4 Å²	4	39 Å²	39	2%	0.021	22%	0.219	C	C	.	.			trans	-70.7	117	-175.2	-58.4	173.9	0	0	0	111.2	L149 L152 L168 N171 N190 P191 V192	L149-L173 HydrophobicContact CB-CD2 4.28Å; L149-L173 WeakPolarHBondContact O-CD2 3.46Å; L149-L173 PolarHBondContact O-N 2.87Å; L152-L173 HydrophobicContact CD1-CD1 4.34Å; L152-L173 HydrophobicContact CG-CD2 4.16Å; L168-L173 HydrophobicContact CB-CD1 3.97Å; L168-L173 HydrophobicContact CD1-CD1 3.84Å; L168-L173 HydrophobicContact CG-CD1 4.38Å; N171-L173 HydrophobicContact CB-CG 4.3Å; L173-N190 HydrophobicContact CB-CB 4.36Å; L173-N190 VanDerWaalsContact CB-OD1 3.27Å; L173-N190 WeakPolarHBondContact CB-OD1 3.32Å; L173-N190 WeakPolarHBondContact CG-OD1 3.41Å; L173-N190 PolarHBondContact N-OD1 3.22Å; L173-P191 CarbonylContact O-C 3.52Å; L173-V192 WeakPolarHBondContact O-CG2 3.07Å; L173-V192 PolarHBondContact O-N 3.47Å
174	N	91	Very high	91.7	Very high	85 Å²	85	42 Å²	42	46%	0.455	23%	0.232	S	C	.	.	S	Bend	trans	-89.6	-33.7	173.6	-173.7	2.6	0	0	0	112.1	L172 P191 V192 A193 N198	L172-N174 PolarHBondContact O-N 2.85Å; N174-P191 WeakPolarHBondContact CA-O 3.47Å; N174-P191 PolarHBondContact OD1-O 3.24Å; N174-V192 WeakPolarHBondContact O-CA 3.35Å; N174-A193 PolarHBondContact O-N 3.39Å; N174-A193 VanDerWaalsContact O-N 3.1Å; N174-A193 WeakPolarHBondContact OD1-CB 3.4Å; N174-A193 PolarHBondContact OD1-N 3.13Å; N174-N198 PolarHBondContact O-ND2 2.82Å
175	I	89.4	Confident	91.8	Very high	57 Å²	57	39.3 Å²	39.3	29%	0.292	21%	0.21	S	C	.	.	S	Bend	trans	-110.8	136.1	177.2	-54.4	176.9	0	0	0	108.6	V197 N198 L201	I175-V197 HydrophobicContact CG2-CG1 4.3Å; I175-N198 WeakPolarHBondContact CA-OD1 3.38Å; I175-N198 WeakPolarHBondContact CG2-OD1 3.46Å; I175-L201 HydrophobicContact CG2-CD1 3.74Å
176	L	90.9	Very high	91.8	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-63.7	150.5	176.6	-65.9	177	0	0	0	111.2	V187 V192 N198 L201 L202 F207 L210	L176-V187 HydrophobicContact CD2-CG1 4.2Å; L176-V187 HydrophobicContact CD2-CG2 4.14Å; L176-V192 HydrophobicContact CD2-CG1 3.9Å; L176-V192 HydrophobicContact CD2-CG2 4.17Å; L176-V192 HydrophobicContact CG-CG1 4.07Å; L176-N198 HydrophobicContact CD1-CB 4.23Å; L176-N198 HydrophobicContact CG-CB 4.34Å; L176-N198 PolarHBondContact N-OD1 2.85Å; L176-L201 HydrophobicContact CB-CB 4.13Å; L176-L201 HydrophobicContact CB-CD1 4.27Å; L176-L201 HydrophobicContact CD1-CB 4.46Å; L176-L201 WeakPolarHBondContact O-CD1 3.46Å; L176-L202 HydrophobicContact CD1-CB 4.42Å; L176-F207 HydrophobicContact CB-CE1 4.18Å; L176-F207 HydrophobicContact CB-CZ 4.25Å; L176-F207 HydrophobicContact CD1-CD1 4.42Å; L176-F207 HydrophobicContact CD1-CD2 4.4Å; L176-F207 HydrophobicContact CD1-CE1 4.38Å; L176-F207 HydrophobicContact CD1-CE2 4.35Å; L176-F207 HydrophobicContact CD1-CG 4.42Å; L176-F207 HydrophobicContact CD1-CZ 4.34Å; L176-F207 HydrophobicContact CD2-CD1 4.02Å; L176-F207 HydrophobicContact CD2-CE1 4.11Å; L176-F207 HydrophobicContact CG-CE1 4.46Å; L176-L210 HydrophobicContact CD1-CD2 4.25Å; L176-L210 HydrophobicContact CD2-CD2 4.04Å
177	P	89.9	Confident	91.8	Very high	12 Å²	12	37.3 Å²	37.3	8%	0.078	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-65.6	141.4	167.4	26.5	-33	0	0	0	111.4	L152 F157 L168 L179 V185 F207	L152-P177 HydrophobicContact CD1-CB 3.93Å; L152-P177 HydrophobicContact CD1-CG 4.35Å; F157-P177 HydrophobicContact CE2-CB 3.85Å; F157-P177 HydrophobicContact CE2-CG 4.44Å; L168-P177 HydrophobicContact CD1-CG 3.85Å; P177-L179 HydrophobicContact CB-CD2 4.08Å; P177-L179 HydrophobicContact CG-CD2 4.03Å; P177-V185 HydrophobicContact CG-CG1 4.34Å; P177-F207 HydrophobicContact CG-CE1 3.97Å
178	S	87.3	Confident	91.7	Very high	28 Å²	28	37.8 Å²	37.8	20%	0.196	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-77.4	135.2	163.4	-174.3	0	0	0	0	109.9	S335	S178-S335 WeakPolarHBondContact CB-OG 3.28Å; S178-S335 PolarHBondContact OG-OG 3.47Å
179	L	87.8	Confident	91.7	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.058	24%	0.235	C	C	.	.			trans	-110.1	127.8	-176.8	-44.5	-173.2	0	0	0	109.7	F157 P177 H181 F183 V185 F207	F157-L179 HydrophobicContact CD2-CD2 4.14Å; F157-L179 HydrophobicContact CE2-CD2 4.17Å; P177-L179 HydrophobicContact CB-CD2 4.08Å; P177-L179 HydrophobicContact CG-CD2 4.03Å; L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 WeakPolarHBondContact CB-O 3.18Å; L179-H181 PolarHBondContact O-N 3.07Å; L179-F183 HydrophobicContact CB-CE1 4.27Å; L179-F183 HydrophobicContact CB-CZ 4.23Å; L179-F183 HydrophobicContact CD1-CD2 4.27Å; L179-F183 HydrophobicContact CD1-CE2 4.11Å; L179-F183 HydrophobicContact CD1-CZ 4.36Å; L179-F183 HydrophobicContact CD2-CE2 3.82Å; L179-F183 HydrophobicContact CD2-CZ 3.74Å; L179-F183 HydrophobicContact CG-CE2 4.45Å; L179-F183 HydrophobicContact CG-CZ 4.32Å; L179-V185 HydrophobicContact CD1-CG2 3.69Å; L179-V185 HydrophobicContact CD2-CG2 4.02Å; L179-F207 HydrophobicContact CD1-CE2 4.41Å; L179-F207 HydrophobicContact CD1-CZ 4.06Å; L179-F207 HydrophobicContact CD2-CZ 4.39Å; L179-F207 HydrophobicContact CG-CZ 4.13Å
180	P	85.1	Confident	91.6	Very high	63 Å²	63	42.9 Å²	42.9	41%	0.409	24%	0.235	S	C	.	.	S	Bend	trans	-74.1	-21.7	177.6	29.8	-34.9	0	0	0	112.7	F157	F157-P180 HydrophobicContact CB-CG 4.1Å
181	H	84.2	Confident	91.5	Very high	90 Å²	90	42.6 Å²	42.6	42%	0.417	24%	0.241	S	C	.	.	S	Bend	trans	-143.6	151.8	177.8	-51.6	98.6	0	0	0	108.4	L179 F183	L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 WeakPolarHBondContact CB-O 3.18Å; L179-H181 PolarHBondContact O-N 3.07Å; H181-F183 WeakPolarHBondContact O-CD1 3.31Å; H181-F183 WeakPolarHBondContact O-CE1 3.39Å; H181-F183 PolarHBondContact O-N 3.23Å
182	P	85.6	Confident	91.4	Very high	107 Å²	107	42.8 Å²	42.8	70%	0.695	24%	0.242	S	C	*	.			trans	-75.8	111.1	-177.3	29.3	-34.4	0	0	0	112
183	F	90.9	Very high	91.3	Very high	12 Å²	12	40 Å²	40	5%	0.053	23%	0.233	C	C	.	.			trans	-132.9	173	171.3	52.7	-102.4	0	0	0	111.5	F157 L163 V166 L179 H181 V185 R206	F157-F183 HydrophobicContact CB-CE1 4.44Å; F157-F183 HydrophobicContact CB-CZ 4.1Å; F157-F183 HydrophobicContact CD2-CE2 4.47Å; F157-F183 AromaticContact CD2-CZ 3.76Å; F157-F183 HydrophobicContact CD2-CZ 3.76Å; F157-F183 HydrophobicContact CE2-CZ 4.33Å; F157-F183 AromaticContact CG-CZ 3.89Å; F157-F183 HydrophobicContact CG-CZ 3.89Å; L163-F183 HydrophobicContact CB-CD1 4.48Å; L163-F183 HydrophobicContact CB-CE1 4.49Å; L163-F183 HydrophobicContact CD2-CE1 4.23Å; L163-F183 HydrophobicContact CD2-CE2 4.17Å; L163-F183 HydrophobicContact CD2-CZ 3.87Å; L163-F183 WeakPolarHBondContact O-CB 3.1Å; V166-F183 HydrophobicContact CB-CE2 4.25Å; V166-F183 HydrophobicContact CG2-CD2 3.87Å; V166-F183 HydrophobicContact CG2-CE2 3.43Å; V166-F183 VanDerWaalsContact CG2-CE2 3.43Å; V166-F183 HydrophobicContact CG2-CZ 4.26Å; L179-F183 HydrophobicContact CB-CE1 4.27Å; L179-F183 HydrophobicContact CB-CZ 4.23Å; L179-F183 HydrophobicContact CD1-CD2 4.27Å; L179-F183 HydrophobicContact CD1-CE2 4.11Å; L179-F183 HydrophobicContact CD1-CZ 4.36Å; L179-F183 HydrophobicContact CD2-CE2 3.82Å; L179-F183 HydrophobicContact CD2-CZ 3.74Å; L179-F183 HydrophobicContact CG-CE2 4.45Å; L179-F183 HydrophobicContact CG-CZ 4.32Å; H181-F183 WeakPolarHBondContact O-CD1 3.31Å; H181-F183 WeakPolarHBondContact O-CE1 3.39Å; H181-F183 PolarHBondContact O-N 3.23Å; F183-V185 HydrophobicContact CD2-CG2 3.61Å; F183-V185 HydrophobicContact CE2-CG2 3.57Å; F183-R206 PolarHBondContact O-N 3.11Å
184	Q	93.5	Very high	91.3	Very high	74 Å²	74	43 Å²	43	35%	0.346	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.5	-178.2	-174.3	178.7	-9.8	0	0	110.5	A164 F165 V166 R206 E208	A164-Q184 PolarHBondContact O-N 3.32Å; A164-Q184 VanDerWaalsContact O-N 3.12Å; F165-Q184 CarbonylContact C-O 3.11Å; F165-Q184 WeakPolarHBondContact CA-O 3.43Å; F165-Q184 HydrophobicContact CD2-CB 4.03Å; F165-Q184 HydrophobicContact CD2-CG 3.78Å; F165-Q184 HydrophobicContact CE2-CG 4.1Å; V166-Q184 PolarHBondContact N-O 2.99Å; Q184-R206 CarbonylContact C-O 3.58Å; Q184-R206 WeakPolarHBondContact CA-O 3.29Å; Q184-E208 PolarHBondContact NE2-OE1 3.29Å; Q184-E208 VanDerWaalsContact NE2-OE1 3.08Å; Q184-E208 PolarHBondContact NE2-OE2 2.89Å
185	V	94.6	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	109.9	-177	-170	0	0	0	0	110.5	V166 L168 P177 L179 F183 V187 R206 F207 E208	V166-V185 HydrophobicContact CB-CG1 4.4Å; V166-V185 HydrophobicContact CB-CG2 4.46Å; V166-V185 CarbonylContact O-C 3Å; V166-V185 VanDerWaalsContact O-CA 3.29Å; V166-V185 WeakPolarHBondContact O-CA 3.36Å; L168-V185 HydrophobicContact CD1-CG1 3.82Å; L168-V185 HydrophobicContact CG-CG1 4.36Å; P177-V185 HydrophobicContact CG-CG1 4.34Å; L179-V185 HydrophobicContact CD1-CG2 3.69Å; L179-V185 HydrophobicContact CD2-CG2 4.02Å; F183-V185 HydrophobicContact CD2-CG2 3.61Å; F183-V185 HydrophobicContact CE2-CG2 3.57Å; V185-V187 HydrophobicContact CG1-CG1 3.86Å; V185-R206 PolarHBondContact N-O 3.2Å; V185-F207 HydrophobicContact CB-CD1 3.88Å; V185-F207 HydrophobicContact CB-CE1 4.03Å; V185-F207 HydrophobicContact CG1-CD1 4.19Å; V185-F207 HydrophobicContact CG1-CE1 4.15Å; V185-F207 HydrophobicContact CG2-CE1 4.36Å; V185-F207 CarbonylContact O-C 3.42Å; V185-F207 WeakPolarHBondContact O-CA 3.43Å; V185-E208 PolarHBondContact O-N 3.1Å
186	S	95.9	Very high	91.4	Very high	19 Å²	19	39.8 Å²	39.8	13%	0.133	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	124.8	169.4	177.8	0	0	0	0	109.8	V166 N167 L168	V166-S186 PolarHBondContact O-N 3.33Å; N167-S186 WeakPolarHBondContact OD1-CB 3.45Å; N167-S186 PolarHBondContact OD1-OG 2.91Å; L168-S186 WeakPolarHBondContact CA-O 3.31Å; L168-S186 WeakPolarHBondContact CB-O 3.46Å; L168-S186 PolarHBondContact N-O 3.19Å
187	V	94.8	Very high	91.3	Very high	2 Å²	2	40 Å²	40	1%	0.012	24%	0.244	C	C	.	.			trans	-125.5	20.9	177.4	-62.4	0	0	0	0	112.2	L168 L176 V185 N190 F207 E208 L210	L168-V187 HydrophobicContact CD1-CG1 4.38Å; L176-V187 HydrophobicContact CD2-CG1 4.2Å; L176-V187 HydrophobicContact CD2-CG2 4.14Å; V185-V187 HydrophobicContact CG1-CG1 3.86Å; V187-N190 WeakPolarHBondContact O-CB 3.49Å; V187-N190 PolarHBondContact O-ND2 3.41Å; V187-F207 HydrophobicContact CG1-CD1 4.06Å; V187-F207 HydrophobicContact CG2-CD1 4.49Å; V187-E208 WeakPolarHBondContact CG2-O 3.12Å; V187-E208 PolarHBondContact N-O 3.24Å; V187-L210 HydrophobicContact CG2-CD2 3.82Å; V187-L210 HydrophobicContact CG2-CG 4.3Å
188	S	95.2	Very high	91.4	Very high	29 Å²	29	39.5 Å²	39.5	20%	0.203	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	150	-180	85.4	0	0	0	0	112.1	S169 H170 N190 G209	S169-S188 CarbonylContact C-O 3.57Å; S169-S188 WeakPolarHBondContact CA-O 3.43Å; S169-S188 VanDerWaalsContact CB-OG 3.24Å; S169-S188 WeakPolarHBondContact CB-OG 3.22Å; H170-S188 PolarHBondContact N-O 2.89Å; S188-N190 PolarHBondContact O-N 2.88Å; S188-N190 VanDerWaalsContact O-N 3.15Å; S188-N190 PolarHBondContact O-ND2 2.91Å; S188-G209 WeakPolarHBondContact CA-O 3.36Å
189	D	95.1	Very high	91.6	Very high	104 Å²	104	39 Å²	39	56%	0.556	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	34.8	173.8	-49.5	-89.4	0	0	0	113.4	H170	H170-D189 IonicContact CE1-OD1 3.47Å; H170-D189 IonicContact CE1-OD2 3.32Å; H170-D189 PolarHBondContact CE1-OD2 2.9Å; H170-D189 VanDerWaalsContact CE1-OD2 3.24Å; H170-D189 WeakPolarHBondContact ND1-CB 3.22Å; H170-D189 IonicContact ND1-OD1 2.61Å; H170-D189 IonicContact ND1-OD2 2.99Å; H170-D189 IonicContact NE2-OD2 2.75Å
190	N	95	Very high	91.6	Very high	16 Å²	16	39.6 Å²	39.6	9%	0.086	24%	0.239	C	C	.	.			trans	-112.9	146.6	169.4	-79.8	-99.4	0	0	0	110.4	L168 N171 L172 L173 V187 S188 V192	L168-N190 PolarHBondContact O-ND2 3.15Å; N171-N190 WeakPolarHBondContact CA-OD1 3.47Å; N171-N190 WeakPolarHBondContact CB-OD1 3.05Å; N171-N190 PolarHBondContact N-ND2 2.92Å; N171-N190 PolarHBondContact O-OD1 2.69Å; L172-N190 PolarHBondContact N-OD1 3.42Å; L173-N190 HydrophobicContact CB-CB 4.36Å; L173-N190 VanDerWaalsContact CB-OD1 3.27Å; L173-N190 WeakPolarHBondContact CB-OD1 3.32Å; L173-N190 WeakPolarHBondContact CG-OD1 3.41Å; L173-N190 PolarHBondContact N-OD1 3.22Å; V187-N190 WeakPolarHBondContact O-CB 3.49Å; V187-N190 PolarHBondContact O-ND2 3.41Å; S188-N190 PolarHBondContact O-N 2.88Å; S188-N190 VanDerWaalsContact O-N 3.15Å; S188-N190 PolarHBondContact O-ND2 2.91Å; N190-V192 HydrophobicContact CB-CG2 3.85Å; N190-V192 PolarHBondContact O-N 3.21Å
191	P	94.2	Very high	91.8	Very high	76 Å²	76	36.8 Å²	36.8	49%	0.494	22%	0.22	S	C	.	.			trans	-78.4	49.8	179.4	36	-38.6	0	0	0	112.7	L173 N174 A193	L173-P191 CarbonylContact O-C 3.52Å; N174-P191 WeakPolarHBondContact CA-O 3.47Å; N174-P191 PolarHBondContact OD1-O 3.24Å; P191-A193 PolarHBondContact O-N 3.45Å
192	V	93.2	Very high	92	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	21%	0.212	C	C	.	.			trans	-66.7	120.6	-176.5	-178.7	0	0	0	0	110.3	L173 N174 L176 N190 N198 P211 W216	L173-V192 WeakPolarHBondContact O-CG2 3.07Å; L173-V192 PolarHBondContact O-N 3.47Å; N174-V192 WeakPolarHBondContact O-CA 3.35Å; L176-V192 HydrophobicContact CD2-CG1 3.9Å; L176-V192 HydrophobicContact CD2-CG2 4.17Å; L176-V192 HydrophobicContact CG-CG1 4.07Å; N190-V192 HydrophobicContact CB-CG2 3.85Å; N190-V192 PolarHBondContact O-N 3.21Å; V192-N198 WeakPolarHBondContact CG1-ND2 3.34Å; V192-P211 HydrophobicContact CB-CG 4.09Å; V192-P211 WeakPolarHBondContact O-CG 3.31Å; V192-W216 HydrophobicContact CG1-CH2 4.42Å
193	A	92.1	Very high	91.8	Very high	37 Å²	37	34.4 Å²	34.4	31%	0.306	21%	0.212	S	C	.	.			trans	-71.9	141.7	178.4	0	0	0	0	0	113	N174 P191 S195 N198	N174-A193 PolarHBondContact O-N 3.39Å; N174-A193 VanDerWaalsContact O-N 3.1Å; N174-A193 WeakPolarHBondContact OD1-CB 3.4Å; N174-A193 PolarHBondContact OD1-N 3.13Å; P191-A193 PolarHBondContact O-N 3.45Å; A193-S195 PolarHBondContact O-N 3.05Å; A193-N198 PolarHBondContact O-ND2 2.91Å
194	C	92.3	Very high	91.3	Very high	67 Å²	67	37.9 Å²	37.9	45%	0.453	23%	0.227	S	C	.	.			trans	-69.7	72	165.1	-57.1	0	0	0	0	110.6	C213 P217	C194-C213 VanDerWaalsContact CA-SG 3.55Å; C194-C213 HydrophobicContact CB-CB 3.75Å; C194-C213 WeakPolarHBondContact CB-SG 3.22Å; C194-C213 WeakPolarHBondContact SG-CB 3.42Å; C194-C213 CovalentContact SG-SG 2.03Å; C194-C213 PolarHBondContact SG-SG 3.31Å; C194-P217 WeakPolarHBondContact O-CG 3.42Å
195	S	91.1	Very high	90.6	Very high	33 Å²	33	35.2 Å²	35.2	23%	0.231	22%	0.219	C	C	.	.			trans	-113.5	158.4	-174.2	74.8	0	0	0	0	112.9	A193 V197 N198 S199	A193-S195 PolarHBondContact O-N 3.05Å; S195-V197 PolarHBondContact O-N 3.03Å; S195-N198 PolarHBondContact O-N 2.63Å; S195-N198 WeakPolarHBondContact OG-CB 3.2Å; S195-N198 PolarHBondContact OG-N 3.3Å; S195-N198 VanDerWaalsContact OG-N 3.08Å; S195-N198 PolarHBondContact OG-ND2 3.22Å; S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.14Å
196	C	91.2	Very high	90.4	Very high	41 Å²	41	44.1 Å²	44.1	28%	0.277	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-25.2	174.2	73.8	0	0	0	0	112.7	R200 P217 S218 C220	C196-R200 PolarHBondContact O-N 2.79Å; C196-R200 VanDerWaalsContact O-N 3.11Å; C196-P217 HydrophobicContact CB-CB 4.43Å; C196-S218 WeakPolarHBondContact CB-O 3.4Å; C196-C220 HydrophobicContact CB-CB 3.59Å; C196-C220 WeakPolarHBondContact CB-SG 3.33Å; C196-C220 PolarHBondContact O-N 2.93Å; C196-C220 WeakPolarHBondContact SG-CB 3.23Å; C196-C220 CovalentContact SG-SG 2.04Å; C196-C220 PolarHBondContact SG-SG 2.89Å
197	V	89.6	Confident	90.2	Very high	10 Å²	10	44.1 Å²	44.1	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-73	-49.2	176.8	-175	0	0	0	0	110.1	I175 S195 S199 R200 L201 D263 L264	I175-V197 HydrophobicContact CG2-CG1 4.3Å; S195-V197 PolarHBondContact O-N 3.03Å; V197-S199 VanDerWaalsContact C-N 3.3Å; V197-S199 PolarHBondContact O-N 3.39Å; V197-R200 WeakPolarHBondContact O-CB 3.35Å; V197-R200 PolarHBondContact O-N 3.17Å; V197-R200 VanDerWaalsContact O-N 3.13Å; V197-L201 HydrophobicContact CG1-CD1 3.97Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 2.92Å; V197-D263 HydrophobicContact CG2-CB 3.7Å; V197-L264 HydrophobicContact CG1-CD2 3.91Å
198	N	91.4	Very high	90.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.8	-34.5	176.5	-74.7	-24	0	0	0	111.5	N174 I175 L176 V192 A193 S195 R200 L201 L202 W216	N174-N198 PolarHBondContact O-ND2 2.82Å; I175-N198 WeakPolarHBondContact CA-OD1 3.38Å; I175-N198 WeakPolarHBondContact CG2-OD1 3.46Å; L176-N198 HydrophobicContact CD1-CB 4.23Å; L176-N198 HydrophobicContact CG-CB 4.34Å; L176-N198 PolarHBondContact N-OD1 2.85Å; V192-N198 WeakPolarHBondContact CG1-ND2 3.34Å; A193-N198 PolarHBondContact O-ND2 2.91Å; S195-N198 PolarHBondContact O-N 2.63Å; S195-N198 WeakPolarHBondContact OG-CB 3.2Å; S195-N198 PolarHBondContact OG-N 3.3Å; S195-N198 VanDerWaalsContact OG-N 3.08Å; S195-N198 PolarHBondContact OG-ND2 3.22Å; N198-R200 PolarHBondContact O-N 3.04Å; N198-L201 PolarHBondContact O-N 3Å; N198-L202 VanDerWaalsContact O-CB 3.23Å; N198-L202 WeakPolarHBondContact O-CB 3.43Å; N198-L202 PolarHBondContact O-N 2.91Å; N198-W216 HydrophobicContact CB-CH2 4.3Å; N198-W216 HydrophobicContact CB-CZ3 3.7Å
199	S	90.5	Very high	89.9	Confident	19 Å²	19	49.1 Å²	49.1	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-42.3	169.7	-177.8	0	0	0	0	112.7	S195 V197 P217	S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.14Å; V197-S199 VanDerWaalsContact C-N 3.3Å; V197-S199 PolarHBondContact O-N 3.39Å; S199-P217 WeakPolarHBondContact CB-O 3.43Å; S199-P217 PolarHBondContact OG-O 2.73Å
200	R	89	Confident	89.7	Confident	23 Å²	23	46.5 Å²	46.5	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-48.1	172.1	-177.6	175.6	69.3	-105.7	2.2	111.6	C196 V197 N198 L202 S203 P219 C220 G221 E336	C196-R200 PolarHBondContact O-N 2.79Å; C196-R200 VanDerWaalsContact O-N 3.11Å; V197-R200 WeakPolarHBondContact O-CB 3.35Å; V197-R200 PolarHBondContact O-N 3.17Å; V197-R200 VanDerWaalsContact O-N 3.13Å; N198-R200 PolarHBondContact O-N 3.04Å; R200-L202 VanDerWaalsContact C-N 3.35Å; R200-L202 PolarHBondContact O-N 2.87Å; R200-S203 WeakPolarHBondContact O-CB 3.43Å; R200-S203 PolarHBondContact O-N 2.88Å; R200-S203 PolarHBondContact O-OG 2.9Å; R200-P219 HydrophobicContact CB-CB 3.97Å; R200-C220 WeakPolarHBondContact CD-O 3.5Å; R200-C220 PolarHBondContact NH1-O 3.22Å; R200-G221 VanDerWaalsContact NH1-C 3.32Å; R200-G221 PolarHBondContact NH1-O 2.86Å; R200-E336 IonicContact CZ-OE2 2.74Å; R200-E336 IonicContact NE-OE1 3.14Å; R200-E336 PolarHBondContact NE-OE1 3.06Å; R200-E336 IonicContact NE-OE2 2.73Å; R200-E336 PolarHBondContact NE-OE2 3.03Å; R200-E336 IonicContact NH2-OE2 2.82Å; R200-E336 PolarHBondContact NH2-OE2 2.7Å
201	L	88.8	Confident	89.4	Confident	4 Å²	4	48 Å²	48	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-36	-176.1	-67.1	166.3	0	0	0	112.3	I175 L176 V197 N198 S203 K204	I175-L201 HydrophobicContact CG2-CD1 3.74Å; L176-L201 HydrophobicContact CB-CB 4.13Å; L176-L201 HydrophobicContact CB-CD1 4.27Å; L176-L201 HydrophobicContact CD1-CB 4.46Å; L176-L201 WeakPolarHBondContact O-CD1 3.46Å; V197-L201 HydrophobicContact CG1-CD1 3.97Å; V197-L201 WeakPolarHBondContact O-CG 3.34Å; V197-L201 PolarHBondContact O-N 2.92Å; N198-L201 PolarHBondContact O-N 3Å; L201-S203 PolarHBondContact O-N 3.29Å; L201-K204 WeakPolarHBondContact O-CB 3.32Å; L201-K204 PolarHBondContact O-N 2.84Å
202	L	88.3	Confident	89.1	Confident	49 Å²	49	50 Å²	50	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-53.4	-38.3	174.1	177.4	55.5	0	0	0	112.3	L176 N198 R200 K204 G205 F207 L210 W216	L176-L202 HydrophobicContact CD1-CB 4.42Å; N198-L202 VanDerWaalsContact O-CB 3.23Å; N198-L202 WeakPolarHBondContact O-CB 3.43Å; N198-L202 PolarHBondContact O-N 2.91Å; R200-L202 VanDerWaalsContact C-N 3.35Å; R200-L202 PolarHBondContact O-N 2.87Å; L202-K204 PolarHBondContact O-N 2.67Å; L202-K204 VanDerWaalsContact O-N 3.09Å; L202-G205 PolarHBondContact O-N 2.9Å; L202-F207 HydrophobicContact CD1-CB 4.16Å; L202-F207 HydrophobicContact CD1-CD2 3.89Å; L202-F207 HydrophobicContact CD1-CG 4.42Å; L202-L210 HydrophobicContact CD1-CD1 3.57Å; L202-L210 HydrophobicContact CD2-CD1 4.35Å; L202-W216 HydrophobicContact CD2-CD2 4.42Å
203	S	81.8	Confident	88.9	Confident	98 Å²	98	50.1 Å²	50.1	69%	0.685	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.9	178.4	75.8	0	0	0	0	115	R200 L201	R200-S203 WeakPolarHBondContact O-CB 3.43Å; R200-S203 PolarHBondContact O-N 2.88Å; R200-S203 PolarHBondContact O-OG 2.9Å; L201-S203 PolarHBondContact O-N 3.29Å
204	K	80.9	Confident	88.6	Confident	84 Å²	84	55.4 Å²	55.4	37%	0.365	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-7.2	-177.1	-66	-175.6	166.3	-178.7	0	114.9	L201 L202 E336	L201-K204 WeakPolarHBondContact O-CB 3.32Å; L201-K204 PolarHBondContact O-N 2.84Å; L202-K204 PolarHBondContact O-N 2.67Å; L202-K204 VanDerWaalsContact O-N 3.09Å; K204-E336 WeakPolarHBondContact CE-OE1 3.47Å; K204-E336 IonicContact NZ-OE1 2.91Å; K204-E336 PolarHBondContact NZ-OE1 2.92Å
205	G	78.5	Confident	88.2	Confident	18 Å²	18	57.9 Å²	57.9	19%	0.186	33%	0.329	C	S	.	.	S	Bend	trans	-144.6	170.5	-169.4	0	0	0	0	0	114.9	L202	L202-G205 PolarHBondContact O-N 2.9Å
206	R	89.5	Confident	88.2	Confident	187 Å²	187	59.1 Å²	59.1	71%	0.706	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	83.8	170.7	-68.6	-177.6	-180	179.3	0.2	108.9	F183 Q184 V185	F183-R206 PolarHBondContact O-N 3.11Å; Q184-R206 CarbonylContact C-O 3.58Å; Q184-R206 WeakPolarHBondContact CA-O 3.29Å; V185-R206 PolarHBondContact N-O 3.2Å
207	F	92.3	Very high	88.2	Confident	20 Å²	20	59.5 Å²	59.5	9%	0.088	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.2	-177.8	-66.6	-83.4	0	0	0	111.6	L176 P177 L179 V185 V187 L202 L210	L176-F207 HydrophobicContact CB-CE1 4.18Å; L176-F207 HydrophobicContact CB-CZ 4.25Å; L176-F207 HydrophobicContact CD1-CD1 4.42Å; L176-F207 HydrophobicContact CD1-CD2 4.4Å; L176-F207 HydrophobicContact CD1-CE1 4.38Å; L176-F207 HydrophobicContact CD1-CE2 4.35Å; L176-F207 HydrophobicContact CD1-CG 4.42Å; L176-F207 HydrophobicContact CD1-CZ 4.34Å; L176-F207 HydrophobicContact CD2-CD1 4.02Å; L176-F207 HydrophobicContact CD2-CE1 4.11Å; L176-F207 HydrophobicContact CG-CE1 4.46Å; P177-F207 HydrophobicContact CG-CE1 3.97Å; L179-F207 HydrophobicContact CD1-CE2 4.41Å; L179-F207 HydrophobicContact CD1-CZ 4.06Å; L179-F207 HydrophobicContact CD2-CZ 4.39Å; L179-F207 HydrophobicContact CG-CZ 4.13Å; V185-F207 HydrophobicContact CB-CD1 3.88Å; V185-F207 HydrophobicContact CB-CE1 4.03Å; V185-F207 HydrophobicContact CG1-CD1 4.19Å; V185-F207 HydrophobicContact CG1-CE1 4.15Å; V185-F207 HydrophobicContact CG2-CE1 4.36Å; V185-F207 CarbonylContact O-C 3.42Å; V185-F207 WeakPolarHBondContact O-CA 3.43Å; V187-F207 HydrophobicContact CG1-CD1 4.06Å; V187-F207 HydrophobicContact CG2-CD1 4.49Å; L202-F207 HydrophobicContact CD1-CB 4.16Å; L202-F207 HydrophobicContact CD1-CD2 3.89Å; L202-F207 HydrophobicContact CD1-CG 4.42Å; F207-L210 HydrophobicContact CB-CD1 3.92Å; F207-L210 HydrophobicContact CB-CD2 4.03Å; F207-L210 HydrophobicContact CB-CG 3.99Å
208	E	92.1	Very high	88.2	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.9	-179.6	-66.9	178.2	157.4	0	0	110.6	Q184 V185 V187 L210	Q184-E208 PolarHBondContact NE2-OE1 3.29Å; Q184-E208 VanDerWaalsContact NE2-OE1 3.08Å; Q184-E208 PolarHBondContact NE2-OE2 2.89Å; V185-E208 PolarHBondContact O-N 3.1Å; V187-E208 WeakPolarHBondContact CG2-O 3.12Å; V187-E208 PolarHBondContact N-O 3.24Å; E208-L210 VanDerWaalsContact C-N 3.33Å
209	G	90.6	Very high	88.2	Confident	45 Å²	45	67.9 Å²	67.9	46%	0.464	39%	0.387	S	S	.	.	S	Bend	trans	73.3	20.9	-176.4	0	0	0	0	0	114.7	S188	S188-G209 WeakPolarHBondContact CA-O 3.36Å
210	L	91.6	Very high	88.1	Confident	49 Å²	49	68.6 Å²	68.6	26%	0.257	39%	0.392	S	S	.	.			trans	-59.4	150.2	174.2	-69.8	167	0	0	0	112.2	L176 V187 L202 F207 E208 W216	L176-L210 HydrophobicContact CD1-CD2 4.25Å; L176-L210 HydrophobicContact CD2-CD2 4.04Å; V187-L210 HydrophobicContact CG2-CD2 3.82Å; V187-L210 HydrophobicContact CG2-CG 4.3Å; L202-L210 HydrophobicContact CD1-CD1 3.57Å; L202-L210 HydrophobicContact CD2-CD1 4.35Å; F207-L210 HydrophobicContact CB-CD1 3.92Å; F207-L210 HydrophobicContact CB-CD2 4.03Å; F207-L210 HydrophobicContact CB-CG 3.99Å; E208-L210 VanDerWaalsContact C-N 3.33Å; L210-W216 HydrophobicContact CD2-CZ2 4.41Å
211	P	89.2	Confident	88	Confident	46 Å²	46	69.8 Å²	69.8	30%	0.299	41%	0.412	S	S	.	.			trans	-65.6	153.4	167.9	30.5	-35.9	0	0	0	111.2	V192 C213 W216	V192-P211 HydrophobicContact CB-CG 4.09Å; V192-P211 WeakPolarHBondContact O-CG 3.31Å; P211-C213 PolarHBondContact O-N 2.83Å; P211-W216 HydrophobicContact CG-CZ2 4.43Å
212	V	87.7	Confident	87.9	Confident	120 Å²	120	72.3 Å²	72.3	73%	0.727	43%	0.428	S	S	*	.			trans	-75.4	115.5	172.8	-178	0	0	0	0	108.9	D214	V212-D214 VanDerWaalsContact CG1-OD2 3.23Å; V212-D214 WeakPolarHBondContact CG1-OD2 3.43Å
213	C	88.2	Confident	87.8	Confident	11 Å²	11	72.5 Å²	72.5	7%	0.074	43%	0.432	C	S	.	.			trans	-121.5	103.5	174.2	-57.5	0	0	0	0	107.9	C194 P211 P215 W216	C194-C213 VanDerWaalsContact CA-SG 3.55Å; C194-C213 HydrophobicContact CB-CB 3.75Å; C194-C213 WeakPolarHBondContact CB-SG 3.22Å; C194-C213 WeakPolarHBondContact SG-CB 3.42Å; C194-C213 CovalentContact SG-SG 2.03Å; C194-C213 PolarHBondContact SG-SG 3.31Å; P211-C213 PolarHBondContact O-N 2.83Å; C213-P215 VanDerWaalsContact C-C 3.49Å; C213-P215 CarbonylContact O-C 3.6Å; C213-P215 WeakPolarHBondContact O-CA 3.42Å; C213-W216 HydrophobicContact CB-CD2 3.75Å; C213-W216 HydrophobicContact CB-CE3 4.36Å; C213-W216 HydrophobicContact CB-CG 3.85Å; C213-W216 HydrophobicContact CB-CZ2 4.21Å; C213-W216 PolarHBondContact O-N 3.12Å; C213-W216 VanDerWaalsContact SG-CE2 3.58Å; C213-W216 WeakPolarHBondContact SG-CZ2 3.41Å
214	D	85.4	Confident	88	Confident	149 Å²	149	68.3 Å²	68.3	80%	0.797	40%	0.402	S	S	*	.	S	Bend	trans	-106.9	96	-173	-71.1	-31.2	0	0	0	112	V212	V212-D214 VanDerWaalsContact CG1-OD2 3.23Å; V212-D214 WeakPolarHBondContact CG1-OD2 3.43Å
215	P	85.6	Confident	88.3	Confident	119 Å²	119	67.9 Å²	67.9	77%	0.773	41%	0.406	S	S	*	.	S	Bend	cis	-86.5	168.1	-14.9	37	-34.6	0	0	0	112.5	C213	C213-P215 VanDerWaalsContact C-C 3.49Å; C213-P215 CarbonylContact O-C 3.6Å; C213-P215 WeakPolarHBondContact O-CA 3.42Å
216	W	89.5	Confident	88.7	Confident	59 Å²	59	67.3 Å²	67.3	22%	0.223	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.4	165.5	-80.6	88.5	0	0	0	110.7	V192 N198 L202 L210 P211 C213	V192-W216 HydrophobicContact CG1-CH2 4.42Å; N198-W216 HydrophobicContact CB-CH2 4.3Å; N198-W216 HydrophobicContact CB-CZ3 3.7Å; L202-W216 HydrophobicContact CD2-CD2 4.42Å; L210-W216 HydrophobicContact CD2-CZ2 4.41Å; P211-W216 HydrophobicContact CG-CZ2 4.43Å; C213-W216 HydrophobicContact CB-CD2 3.75Å; C213-W216 HydrophobicContact CB-CE3 4.36Å; C213-W216 HydrophobicContact CB-CG 3.85Å; C213-W216 HydrophobicContact CB-CZ2 4.21Å; C213-W216 PolarHBondContact O-N 3.12Å; C213-W216 VanDerWaalsContact SG-CE2 3.58Å; C213-W216 WeakPolarHBondContact SG-CZ2 3.41Å
217	P	91.2	Very high	88.5	Confident	48 Å²	48	61.5 Å²	61.5	31%	0.312	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-59	158.1	173.8	-23.6	33.8	0	0	0	112.5	C194 C196 S199	C194-P217 WeakPolarHBondContact O-CG 3.42Å; C196-P217 HydrophobicContact CB-CB 4.43Å; S199-P217 WeakPolarHBondContact CB-O 3.43Å; S199-P217 PolarHBondContact OG-O 2.73Å
218	S	90.9	Very high	88.2	Confident	100 Å²	100	60.7 Å²	60.7	70%	0.699	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-60.6	142	170.8	48.3	0	0	0	0	111.1	C196 C220	C196-S218 WeakPolarHBondContact CB-O 3.4Å; S218-C220 PolarHBondContact O-N 2.78Å
219	P	89.9	Confident	87.8	Confident	86 Å²	86	59 Å²	59	56%	0.558	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-68.6	122.6	180	27.4	-34.3	0	0	0	110.7	R200	R200-P219 HydrophobicContact CB-CB 3.97Å
220	C	89.6	Confident	87.3	Confident	34 Å²	34	57.7 Å²	57.7	23%	0.23	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-84.2	163	175.7	51.7	0	0	0	0	111.4	C196 R200 S218	C196-C220 HydrophobicContact CB-CB 3.59Å; C196-C220 WeakPolarHBondContact CB-SG 3.33Å; C196-C220 PolarHBondContact O-N 2.93Å; C196-C220 WeakPolarHBondContact SG-CB 3.23Å; C196-C220 CovalentContact SG-SG 2.04Å; C196-C220 PolarHBondContact SG-SG 2.89Å; R200-C220 WeakPolarHBondContact CD-O 3.5Å; R200-C220 PolarHBondContact NH1-O 3.22Å; S218-C220 PolarHBondContact O-N 2.78Å
221	G	86.7	Confident	86.3	Confident	49 Å²	49	57 Å²	57	51%	0.505	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.8	156.4	170.2	0	0	0	0	0	112.2	R200 T223	R200-G221 VanDerWaalsContact NH1-C 3.32Å; R200-G221 PolarHBondContact NH1-O 2.86Å; G221-T223 PolarHBondContact O-N 2.86Å
222	P	86.9	Confident	84.9	Confident	56 Å²	56	57.5 Å²	57.5	36%	0.364	35%	0.353	S	S	.	.			trans	-71.9	114.8	172.1	29.2	-33.2	0	0	0	110.4	L264 V337	P222-L264 HydrophobicContact CB-CD1 3.79Å; P222-V337 HydrophobicContact CB-CG2 3.68Å; P222-V337 HydrophobicContact CG-CG2 3.57Å
223	T	86.1	Confident	83.2	Confident	53 Å²	53	57 Å²	57	33%	0.325	35%	0.35	S	S	.	.			trans	-88.8	132	167.3	63.3	0	0	0	0	109.3	G221 D263	G221-T223 PolarHBondContact O-N 2.86Å; T223-D263 WeakPolarHBondContact CB-OD2 3.04Å; T223-D263 VanDerWaalsContact CG2-OD2 3.22Å; T223-D263 WeakPolarHBondContact CG2-OD2 3.07Å; T223-D263 WeakPolarHBondContact OG1-CB 3.44Å; T223-D263 PolarHBondContact OG1-N 3.08Å; T223-D263 PolarHBondContact OG1-OD2 2.04Å
224	L	86.4	Confident	81	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.058	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	98.8	169.5	-172.4	62.8	0	0	0	108.3	V260 N261 S262 Y266 A332 V337 S339	L224-V260 HydrophobicContact CD1-CG1 3.91Å; L224-N261 WeakPolarHBondContact CA-O 3.44Å; L224-S262 WeakPolarHBondContact CD1-OG 3.27Å; L224-Y266 HydrophobicContact CD1-CD1 4.39Å; L224-Y266 HydrophobicContact CD1-CG 4.31Å; L224-A332 HydrophobicContact CD1-CB 3.87Å; L224-A332 HydrophobicContact CD2-CB 4.42Å; L224-A332 WeakPolarHBondContact CD2-O 3.44Å; L224-A332 HydrophobicContact CG-CB 4.33Å; L224-V337 HydrophobicContact CB-CB 4.46Å; L224-V337 HydrophobicContact CB-CG1 4.13Å; L224-V337 HydrophobicContact CD2-CB 4.29Å; L224-V337 HydrophobicContact CD2-CG1 4.23Å; L224-V337 WeakPolarHBondContact CD2-O 3.44Å; L224-S339 WeakPolarHBondContact O-CB 3.3Å; L224-S339 PolarHBondContact O-OG 3.35Å
225	V	86.9	Confident	78.6	Confident	75 Å²	75	57.2 Å²	57.2	46%	0.455	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.6	-178.9	-176.6	0	0	0	0	109.1	V260 N261	V225-V260 WeakPolarHBondContact O-CA 3.31Å; V225-N261 PolarHBondContact N-O 3.18Å; V225-N261 PolarHBondContact O-N 3.3Å
226	T	86.4	Confident	76.5	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.2	-177.3	50.8	0	0	0	0	110.7	N259 V260 A332 S339 H340 S341	T226-N259 WeakPolarHBondContact CA-O 3.06Å; T226-V260 HydrophobicContact CG2-CG1 4.1Å; T226-V260 HydrophobicContact CG2-CG2 4.19Å; T226-A332 HydrophobicContact CG2-CB 3.31Å; T226-S339 PolarHBondContact OG1-OG 2.93Å; T226-H340 VanDerWaalsContact OG1-CA 3.32Å; T226-H340 WeakPolarHBondContact OG1-CA 3.47Å; T226-H340 PolarHBondContact OG1-N 2.86Å; T226-H340 VanDerWaalsContact OG1-N 3.15Å; T226-H340 PolarHBondContact OG1-O 3.12Å; T226-S341 VanDerWaalsContact O-CA 3.31Å; T226-S341 WeakPolarHBondContact O-CA 3.36Å; T226-S341 PolarHBondContact OG1-N 3.29Å
227	D	85.7	Confident	74.6	Confident	65 Å²	65	59.2 Å²	59.2	35%	0.348	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.6	175.1	-72.8	-61.4	0	0	0	110.5	Y229 C258 N259	D227-Y229 HydrophobicContact CB-CE2 3.59Å; D227-Y229 WeakPolarHBondContact CB-OH 3.39Å; D227-C258 WeakPolarHBondContact O-CA 3.42Å; D227-N259 PolarHBondContact N-O 2.65Å; D227-N259 PolarHBondContact O-N 3.07Å
228	L	86.3	Confident	72.9	Confident	4 Å²	4	59 Å²	59	2%	0.021	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.9	178.3	178	60.9	0	0	0	110.7	L256 W270 S341 I344	L228-L256 HydrophobicContact CD1-CB 4.24Å; L228-L256 HydrophobicContact CD1-CD2 4.06Å; L228-L256 HydrophobicContact CD2-CD2 4.48Å; L228-L256 HydrophobicContact CG-CD2 4.46Å; L228-W270 HydrophobicContact CD1-CH2 4.12Å; L228-W270 HydrophobicContact CD1-CZ3 3.67Å; L228-S341 VanDerWaalsContact CB-CB 3.43Å; L228-S341 VanDerWaalsContact CB-OG 3.29Å; L228-S341 WeakPolarHBondContact CB-OG 3.43Å; L228-I344 HydrophobicContact CD2-CD1 4.1Å; L228-I344 HydrophobicContact CD2-CG1 4.12Å; L228-I344 HydrophobicContact CG-CD1 3.84Å; L228-I344 HydrophobicContact CG-CG1 4.32Å
229	Y	83.5	Confident	70.9	Confident	56 Å²	56	59.2 Å²	59.2	22%	0.22	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	152.9	178.4	-50.4	-86.3	0	0	0	110.8	D227 V237 I257 N259	D227-Y229 HydrophobicContact CB-CE2 3.59Å; D227-Y229 WeakPolarHBondContact CB-OH 3.39Å; Y229-V237 HydrophobicContact CD1-CG1 3.93Å; Y229-V237 HydrophobicContact CG-CG1 3.92Å; Y229-I257 PolarHBondContact N-O 2.96Å; Y229-I257 PolarHBondContact O-N 2.86Å; Y229-N259 HydrophobicContact CD2-CB 4.5Å; Y229-N259 HydrophobicContact CE2-CB 3.85Å
230	L	78.9	Confident	69.3	Low	16 Å²	16	57.6 Å²	57.6	8%	0.084	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.9	163.4	-153.2	81.2	0	0	0	109.1	P232 F240 V246 L254 L256	L230-P232 WeakPolarHBondContact O-CD 3.3Å; L230-F240 HydrophobicContact CB-CD2 3.9Å; L230-F240 HydrophobicContact CB-CE2 3.5Å; L230-F240 VanDerWaalsContact CB-CE2 3.5Å; L230-F240 HydrophobicContact CB-CZ 4.48Å; L230-F240 HydrophobicContact CD2-CE2 4.42Å; L230-V246 HydrophobicContact CD2-CB 4.46Å; L230-V246 HydrophobicContact CD2-CG1 3.76Å; L230-V246 HydrophobicContact CD2-CG2 4.26Å; L230-L254 HydrophobicContact CD1-CD1 3.5Å; L230-L256 HydrophobicContact CD1-CD2 3.57Å; L230-L256 HydrophobicContact CD1-CG 4.22Å
231	S	71.3	Confident	67.4	Low	36 Å²	36	58.4 Å²	58.4	25%	0.252	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	100	166.3	-169.4	0	0	0	0	108.8	S255	S231-S255 PolarHBondContact N-O 2.9Å
232	P	59.3	Low	65.7	Low	56 Å²	56	58.1 Å²	58.1	36%	0.364	38%	0.381	S	S	.	.			trans	-63	148.1	166.7	28.7	-33.8	0	0	0	109.5	L230 G234 N236	L230-P232 WeakPolarHBondContact O-CD 3.3Å; P232-G234 PolarHBondContact O-N 3.45Å; P232-N236 VanDerWaalsContact CD-O 3.29Å; P232-N236 WeakPolarHBondContact CD-O 3.47Å; P232-N236 WeakPolarHBondContact CG-O 3.32Å
233	T	53.6	Low	64.2	Low	108 Å²	108	63.3 Å²	63.3	66%	0.663	41%	0.406	S	S	*	.	S	Bend	trans	-64.4	91	-172.2	53.4	0	0	0	0	112.4	R253	T233-R253 HydrophobicContact CG2-CB 4.46Å
234	G	41.1	Very low	63.3	Low	57 Å²	57	62.1 Å²	62.1	59%	0.588	40%	0.399	S	S	*	.	S	Bend	trans	97.8	111.4	-177.6	0	0	0	0	0	112.8	P232	P232-G234 PolarHBondContact O-N 3.45Å
235	S	35.8	Very low	62.9	Low	109 Å²	109	65.9 Å²	65.9	76%	0.762	43%	0.427	S	S	*	.	S	Bend	trans	46.3	76.6	164.5	58.3	0	0	0	0	117
236	N	39.9	Very low	62.6	Low	125 Å²	125	63.7 Å²	63.7	67%	0.668	41%	0.413	S	S	*	.				174.3	115.9	117.6	-85.3	-18.2	0	0	0	110.8	P232 S238	P232-N236 VanDerWaalsContact CD-O 3.29Å; P232-N236 WeakPolarHBondContact CD-O 3.47Å; P232-N236 WeakPolarHBondContact CG-O 3.32Å; N236-S238 PolarHBondContact O-N 2.75Å
237	V	50.6	Low	62.5	Low	95 Å²	95	67.8 Å²	67.8	58%	0.576	44%	0.442	S	S	*	.			trans	-68	119.6	173.4	-177.9	0	0	0	0	108.5	Y229	Y229-V237 HydrophobicContact CD1-CG1 3.93Å; Y229-V237 HydrophobicContact CG-CG1 3.92Å
238	S	54.4	Low	62.3	Low	43 Å²	43	65.8 Å²	65.8	30%	0.301	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.4	177.3	4	0	0	0	0	109.7	N236 F240	N236-S238 PolarHBondContact O-N 2.75Å; S238-F240 VanDerWaalsContact CB-CE2 3.44Å; S238-F240 WeakPolarHBondContact O-CD2 3.29Å; S238-F240 WeakPolarHBondContact O-CE2 3.47Å; S238-F240 PolarHBondContact O-N 2.66Å; S238-F240 VanDerWaalsContact OG-CE2 3.32Å; S238-F240 WeakPolarHBondContact OG-CE2 3.05Å; S238-F240 WeakPolarHBondContact OG-CZ 3.01Å
239	S	50.6	Low	62	Low	104 Å²	104	68.6 Å²	68.6	73%	0.727	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	108.9	169.2	42.4	0	0	0	0	109.3	G241	S239-G241 PolarHBondContact O-N 3.48Å
240	F	55.3	Low	61.9	Low	53 Å²	53	68.1 Å²	68.1	23%	0.232	45%	0.446	C	S	.	.			trans	-90.8	108.4	-175	-79.3	-73.1	0	0	0	111.1	L230 S238 S244 V246 I344	L230-F240 HydrophobicContact CB-CD2 3.9Å; L230-F240 HydrophobicContact CB-CE2 3.5Å; L230-F240 VanDerWaalsContact CB-CE2 3.5Å; L230-F240 HydrophobicContact CB-CZ 4.48Å; L230-F240 HydrophobicContact CD2-CE2 4.42Å; S238-F240 VanDerWaalsContact CB-CE2 3.44Å; S238-F240 WeakPolarHBondContact O-CD2 3.29Å; S238-F240 WeakPolarHBondContact O-CE2 3.47Å; S238-F240 PolarHBondContact O-N 2.66Å; S238-F240 VanDerWaalsContact OG-CE2 3.32Å; S238-F240 WeakPolarHBondContact OG-CE2 3.05Å; S238-F240 WeakPolarHBondContact OG-CZ 3.01Å; F240-S244 WeakPolarHBondContact CB-OG 3.39Å; F240-S244 VanDerWaalsContact CD1-CB 3.48Å; F240-S244 WeakPolarHBondContact CD1-OG 3.33Å; F240-V246 HydrophobicContact CE1-CG2 4.08Å; F240-V246 HydrophobicContact CZ-CG2 4.21Å; F240-I344 HydrophobicContact CB-CD1 4.29Å; F240-I344 HydrophobicContact CB-CG1 4.41Å; F240-I344 HydrophobicContact CD2-CD1 4.37Å
241	G	50.2	Low	61.9	Low	51 Å²	51	69 Å²	69	53%	0.526	46%	0.46	S	S	.	.			trans	-58.5	154.8	173.2	0	0	0	0	0	112.4	S239 N243 S244	S239-G241 PolarHBondContact O-N 3.48Å; G241-N243 PolarHBondContact O-N 3.45Å; G241-S244 PolarHBondContact N-OG 3.43Å; G241-S244 WeakPolarHBondContact O-CB 3.42Å; G241-S244 PolarHBondContact O-N 3.34Å; G241-S244 PolarHBondContact O-OG 3.22Å
242	G	50.6	Low	62.4	Low	43 Å²	43	74.6 Å²	74.6	44%	0.443	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	19.1	-161.5	0	0	0	0	0	119.7
243	N	56.4	Low	63.5	Low	165 Å²	165	77.9 Å²	77.9	88%	0.882	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	23.2	168.8	-95.5	-38.8	0	0	0	112.6	G241 S245	G241-N243 PolarHBondContact O-N 3.45Å; N243-S245 PolarHBondContact O-N 3.2Å
244	S	65.7	Low	65	Low	27 Å²	27	73.1 Å²	73.1	19%	0.189	45%	0.451	C	S	.	.			trans	-72.9	119.8	-174	-64.2	0	0	0	0	112.6	F240 G241 N345	F240-S244 WeakPolarHBondContact CB-OG 3.39Å; F240-S244 VanDerWaalsContact CD1-CB 3.48Å; F240-S244 WeakPolarHBondContact CD1-OG 3.33Å; G241-S244 PolarHBondContact N-OG 3.43Å; G241-S244 WeakPolarHBondContact O-CB 3.42Å; G241-S244 PolarHBondContact O-N 3.34Å; G241-S244 PolarHBondContact O-OG 3.22Å; S244-N345 PolarHBondContact O-N 2.94Å
245	S	78.6	Confident	67.1	Low	91 Å²	91	71.1 Å²	71.1	64%	0.636	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.8	169.8	68.9	0	0	0	0	110.7	N243 N345	N243-S245 PolarHBondContact O-N 3.2Å; S245-N345 CarbonylContact C-O 3.51Å; S245-N345 VanDerWaalsContact CA-O 3.24Å; S245-N345 WeakPolarHBondContact CA-O 3.42Å
246	V	81.4	Confident	69.6	Low	28 Å²	28	65.9 Å²	65.9	17%	0.17	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.9	-178.6	-178.1	0	0	0	0	109.6	L230 F240 I344 N345 R347	L230-V246 HydrophobicContact CD2-CB 4.46Å; L230-V246 HydrophobicContact CD2-CG1 3.76Å; L230-V246 HydrophobicContact CD2-CG2 4.26Å; F240-V246 HydrophobicContact CE1-CG2 4.08Å; F240-V246 HydrophobicContact CZ-CG2 4.21Å; V246-I344 HydrophobicContact CG2-CG2 4.18Å; V246-N345 PolarHBondContact N-O 2.78Å; V246-R347 PolarHBondContact O-N 2.87Å
247	S	82.9	Confident	71.8	Confident	91 Å²	91	61.7 Å²	61.7	64%	0.636	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.9	172.2	49	0	0	0	0	111.2	R347	S247-R347 VanDerWaalsContact CA-O 3.3Å; S247-R347 WeakPolarHBondContact CA-O 3.43Å
248	I	81.2	Confident	73.6	Confident	23 Å²	23	57.2 Å²	57.2	12%	0.118	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.6	173.5	-170.6	174.5	0	0	0	110.7	R252 R253 L254 T320 I346 R347 V348 V349	I248-R252 HydrophobicContact CD1-CB 4.05Å; I248-R252 HydrophobicContact CG1-CB 4.02Å; I248-R253 WeakPolarHBondContact CD1-O 3.27Å; I248-L254 HydrophobicContact CD1-CB 3.72Å; I248-T320 HydrophobicContact CD1-CG2 4.25Å; I248-I346 HydrophobicContact CG2-CG2 3.87Å; I248-R347 PolarHBondContact N-O 2.92Å; I248-V348 HydrophobicContact CG2-CB 4.41Å; I248-V348 HydrophobicContact CG2-CG1 4.46Å; I248-V348 HydrophobicContact CG2-CG2 3.91Å; I248-V348 CarbonylContact O-C 3.58Å; I248-V348 WeakPolarHBondContact O-CA 3.39Å; I248-V349 PolarHBondContact O-N 3.1Å
249	F	81.1	Confident	75.1	Confident	63 Å²	63	57.8 Å²	57.8	28%	0.276	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.6	175.7	-67.1	-67.1	0	0	0	112.1	G251 R252 T320 V349 F354	F249-G251 PolarHBondContact O-N 3Å; F249-R252 HydrophobicContact CB-CG 4.17Å; F249-R252 WeakPolarHBondContact O-CB 3.46Å; F249-R252 PolarHBondContact O-N 3.01Å; F249-T320 PolarHBondContact O-OG1 2.82Å; F249-V349 CarbonylContact C-O 3.5Å; F249-V349 VanDerWaalsContact CA-O 3.29Å; F249-V349 WeakPolarHBondContact CA-O 3.17Å; F249-F354 HydrophobicContact CE1-CB 4.15Å; F249-F354 AromaticContact CE1-CD2 3.98Å; F249-F354 HydrophobicContact CE1-CD2 3.98Å; F249-F354 HydrophobicContact CE1-CG 4.37Å; F249-F354 HydrophobicContact CZ-CB 4.49Å; F249-F354 AromaticContact CZ-CD2 3.69Å; F249-F354 HydrophobicContact CZ-CD2 3.69Å; F249-F354 HydrophobicContact CZ-CE2 4.22Å; F249-F354 HydrophobicContact CZ-CG 4.25Å
250	T	81.3	Confident	76.8	Confident	46 Å²	46	53 Å²	53	28%	0.282	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45	127.1	169.3	50.1	0	0	0	0	111.6	V348 V349 S351	T250-V348 HydrophobicContact CG2-CG1 3.8Å; T250-V349 PolarHBondContact N-O 2.84Å; T250-S351 PolarHBondContact OG1-N 3.02Å
251	G	77.7	Confident	78.3	Confident	35 Å²	35	55.6 Å²	55.6	36%	0.361	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-8.7	179.9	0	0	0	0	0	115.1	F249 N319 T320	F249-G251 PolarHBondContact O-N 3Å; G251-N319 WeakPolarHBondContact CA-OD1 3.3Å; G251-T320 PolarHBondContact N-O 3.39Å
252	R	83.1	Confident	80	Confident	153 Å²	153	54.5 Å²	54.5	58%	0.577	31%	0.308	S	S	*	.			trans	-78.6	157.5	170.8	-71.3	-167.3	174.8	-160.8	-2.6	112.1	I248 F249 T320	I248-R252 HydrophobicContact CD1-CB 4.05Å; I248-R252 HydrophobicContact CG1-CB 4.02Å; F249-R252 HydrophobicContact CB-CG 4.17Å; F249-R252 WeakPolarHBondContact O-CB 3.46Å; F249-R252 PolarHBondContact O-N 3.01Å; R252-T320 WeakPolarHBondContact O-CB 3.47Å; R252-T320 WeakPolarHBondContact O-CG2 3.29Å; R252-T320 PolarHBondContact O-N 3.14Å; R252-T320 VanDerWaalsContact O-N 3.12Å; R252-T320 PolarHBondContact O-OG1 3.26Å
253	R	83.1	Confident	81.6	Confident	126 Å²	126	56 Å²	56	48%	0.475	31%	0.306	S	S	.	.			trans	-73.3	137.5	170.7	-169.9	177.2	-169.2	151.4	11.4	110.4	T233 I248 D316 V317 E318	T233-R253 HydrophobicContact CG2-CB 4.46Å; I248-R253 WeakPolarHBondContact CD1-O 3.27Å; R253-D316 VanDerWaalsContact CG-OD1 3.3Å; R253-D316 WeakPolarHBondContact CG-OD1 3.42Å; R253-D316 IonicContact CZ-OD1 2.74Å; R253-D316 IonicContact CZ-OD2 2.83Å; R253-D316 VanDerWaalsContact NE-CG 3.25Å; R253-D316 IonicContact NE-OD1 3.44Å; R253-D316 PolarHBondContact NE-OD1 3.36Å; R253-D316 IonicContact NE-OD2 2.73Å; R253-D316 PolarHBondContact NE-OD2 3.22Å; R253-D316 IonicContact NH2-OD2 2.64Å; R253-D316 PolarHBondContact NH2-OD2 3.05Å; R253-V317 CarbonylContact C-O 3.25Å; R253-V317 WeakPolarHBondContact CA-O 3.45Å; R253-E318 IonicContact CZ-OE1 2.62Å; R253-E318 IonicContact NH1-OE1 2.72Å
254	L	84.5	Confident	82.7	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.8	-179.6	159.2	64.8	0	0	0	109	L230 I248 L256 D316 V317 T320 I346	L230-L254 HydrophobicContact CD1-CD1 3.5Å; I248-L254 HydrophobicContact CD1-CB 3.72Å; L254-L256 HydrophobicContact CD1-CG 4.21Å; L254-L256 HydrophobicContact CD2-CD1 4.48Å; L254-L256 HydrophobicContact CG-CD1 4.47Å; L254-L256 HydrophobicContact CG-CG 4.45Å; L254-D316 CarbonylContact O-C 3.46Å; L254-D316 WeakPolarHBondContact O-CA 3.38Å; L254-V317 HydrophobicContact CB-CB 4.16Å; L254-V317 HydrophobicContact CD2-CB 4.41Å; L254-V317 HydrophobicContact CD2-CG2 4.23Å; L254-V317 HydrophobicContact CG-CB 4.47Å; L254-V317 HydrophobicContact CG-CG2 4.4Å; L254-V317 PolarHBondContact N-O 3.42Å; L254-V317 PolarHBondContact O-N 3.42Å; L254-T320 HydrophobicContact CB-CG2 3.54Å; L254-T320 HydrophobicContact CD2-CG2 3.96Å; L254-T320 HydrophobicContact CG-CG2 4.41Å; L254-I346 HydrophobicContact CD1-CD1 3.86Å; L254-I346 HydrophobicContact CD2-CD1 3.67Å; L254-I346 HydrophobicContact CD2-CG2 4.44Å; L254-I346 HydrophobicContact CG-CD1 4.38Å
255	S	85.8	Confident	83.4	Confident	15 Å²	15	49.5 Å²	49.5	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.8	-177.8	-47.7	0	0	0	0	110.2	S231 D316	S231-S255 PolarHBondContact N-O 2.9Å; S255-D316 PolarHBondContact OG-OD1 2.89Å
256	L	86.7	Confident	83.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126	180	-74.7	162.5	0	0	0	109.1	L228 L230 L254 W270 L314 L315 W328 I344 I346	L228-L256 HydrophobicContact CD1-CB 4.24Å; L228-L256 HydrophobicContact CD1-CD2 4.06Å; L228-L256 HydrophobicContact CD2-CD2 4.48Å; L228-L256 HydrophobicContact CG-CD2 4.46Å; L230-L256 HydrophobicContact CD1-CD2 3.57Å; L230-L256 HydrophobicContact CD1-CG 4.22Å; L254-L256 HydrophobicContact CD1-CG 4.21Å; L254-L256 HydrophobicContact CD2-CD1 4.48Å; L254-L256 HydrophobicContact CG-CD1 4.47Å; L254-L256 HydrophobicContact CG-CG 4.45Å; L256-W270 HydrophobicContact CB-CH2 3.99Å; L256-W270 HydrophobicContact CB-CZ3 3.78Å; L256-W270 WeakPolarHBondContact O-CH2 3.44Å; L256-L314 CarbonylContact O-C 3.46Å; L256-L314 WeakPolarHBondContact O-CA 3.32Å; L256-L315 HydrophobicContact CB-CB 4.35Å; L256-L315 HydrophobicContact CD1-CD2 4.03Å; L256-L315 PolarHBondContact N-O 2.82Å; L256-L315 PolarHBondContact O-N 2.89Å; L256-W328 HydrophobicContact CD1-CD2 4.16Å; L256-W328 HydrophobicContact CD1-CE3 3.92Å; L256-W328 HydrophobicContact CD1-CG 4.47Å; L256-W328 HydrophobicContact CD1-CZ3 4.49Å; L256-I344 HydrophobicContact CD2-CD1 4.35Å; L256-I346 HydrophobicContact CD1-CD1 4.27Å; L256-I346 HydrophobicContact CD2-CD1 4.35Å
257	I	86.5	Confident	83.7	Confident	37 Å²	37	46.7 Å²	46.7	19%	0.19	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.2	179.7	-59	171.6	0	0	0	108.4	Y229 L314	Y229-I257 PolarHBondContact N-O 2.96Å; Y229-I257 PolarHBondContact O-N 2.86Å; I257-L314 HydrophobicContact CG1-CD1 3.98Å
258	C	88	Confident	83.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.1	166.9	-170.9	0	0	0	0	108.6	D227 W270 N313 C330	D227-C258 WeakPolarHBondContact O-CA 3.42Å; C258-W270 HydrophobicContact CB-CH2 3.57Å; C258-W270 HydrophobicContact CB-CZ2 3.8Å; C258-W270 HydrophobicContact CB-CZ3 4.24Å; C258-N313 HydrophobicContact CB-CB 4.48Å; C258-N313 PolarHBondContact N-O 2.87Å; C258-N313 PolarHBondContact O-N 2.86Å; C258-C330 HydrophobicContact CB-CB 3.65Å; C258-C330 WeakPolarHBondContact CB-SG 3.46Å; C258-C330 WeakPolarHBondContact SG-CB 3.47Å; C258-C330 CovalentContact SG-SG 2.04Å; C258-C330 PolarHBondContact SG-SG 3.29Å
259	N	86.6	Confident	84	Confident	56 Å²	56	43.2 Å²	43.2	30%	0.299	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.9	171.2	-174	43.9	0	0	0	108.4	T226 D227 Y229	T226-N259 WeakPolarHBondContact CA-O 3.06Å; D227-N259 PolarHBondContact N-O 2.65Å; D227-N259 PolarHBondContact O-N 3.07Å; Y229-N259 HydrophobicContact CD2-CB 4.5Å; Y229-N259 HydrophobicContact CE2-CB 3.85Å
260	V	86.2	Confident	84.3	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.7	-179.1	-170.6	0	0	0	0	109.5	L224 V225 T226 Y266 L268 A332	L224-V260 HydrophobicContact CD1-CG1 3.91Å; V225-V260 WeakPolarHBondContact O-CA 3.31Å; T226-V260 HydrophobicContact CG2-CG1 4.1Å; T226-V260 HydrophobicContact CG2-CG2 4.19Å; V260-Y266 HydrophobicContact CB-CE1 4.2Å; V260-Y266 HydrophobicContact CB-CE2 3.93Å; V260-Y266 HydrophobicContact CG1-CD1 4Å; V260-Y266 HydrophobicContact CG1-CD2 4Å; V260-Y266 HydrophobicContact CG1-CE1 3.76Å; V260-Y266 HydrophobicContact CG1-CE2 3.77Å; V260-Y266 HydrophobicContact CG1-CG 4.13Å; V260-Y266 HydrophobicContact CG2-CE2 4.01Å; V260-L268 HydrophobicContact CG2-CD1 4.13Å; V260-A332 HydrophobicContact CG1-CB 3.66Å; V260-A332 HydrophobicContact CG2-CB 4.29Å
261	N	87	Confident	84.8	Confident	108 Å²	108	40.2 Å²	40.2	58%	0.578	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.6	172.3	-171.2	16	0	0	0	109.2	L224 V225	L224-N261 WeakPolarHBondContact CA-O 3.44Å; V225-N261 PolarHBondContact N-O 3.18Å; V225-N261 PolarHBondContact O-N 3.3Å
262	S	85.3	Confident	85.3	Confident	28 Å²	28	38.9 Å²	38.9	20%	0.196	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	124.2	-170	-176.6	0	0	0	0	112.4	L224 L264	L224-S262 WeakPolarHBondContact CD1-OG 3.27Å; S262-L264 PolarHBondContact O-N 3.03Å; S262-L264 PolarHBondContact OG-N 3.19Å; S262-L264 VanDerWaalsContact OG-N 3.07Å; S262-L264 PolarHBondContact OG-O 2.88Å
263	D	83.5	Confident	85.5	Confident	75 Å²	75	34.3 Å²	34.3	40%	0.401	18%	0.18	S	C	.	.	S	Bend	trans	-78	-7	166.3	-60.6	-51.5	0	0	0	112.3	V197 T223	V197-D263 HydrophobicContact CG2-CB 3.7Å; T223-D263 WeakPolarHBondContact CB-OD2 3.04Å; T223-D263 VanDerWaalsContact CG2-OD2 3.22Å; T223-D263 WeakPolarHBondContact CG2-OD2 3.07Å; T223-D263 WeakPolarHBondContact OG1-CB 3.44Å; T223-D263 PolarHBondContact OG1-N 3.08Å; T223-D263 PolarHBondContact OG1-OD2 2.04Å
264	L	80.3	Confident	85.6	Confident	9 Å²	9	32.3 Å²	32.3	5%	0.047	18%	0.182	C	C	.	.	S	Bend	trans	-104.8	154.1	-179.4	-81.2	169.8	0	0	0	112.8	V197 P222 S262 Y266 E336	V197-L264 HydrophobicContact CG1-CD2 3.91Å; P222-L264 HydrophobicContact CB-CD1 3.79Å; S262-L264 PolarHBondContact O-N 3.03Å; S262-L264 PolarHBondContact OG-N 3.19Å; S262-L264 VanDerWaalsContact OG-N 3.07Å; S262-L264 PolarHBondContact OG-O 2.88Å; L264-Y266 PolarHBondContact O-N 3.29Å; L264-E336 HydrophobicContact CD1-CB 4.32Å
265	P	80.3	Confident	85.7	Confident	46 Å²	46	33.7 Å²	33.7	30%	0.299	20%	0.197	S	C	.	.			trans	-62.4	133.9	158.9	28.7	-33.7	0	0	0	110	S334	P265-S334 WeakPolarHBondContact O-CB 3.42Å; P265-S334 PolarHBondContact O-OG 2.86Å
266	Y	84.2	Confident	85.6	Confident	36 Å²	36	37.5 Å²	37.5	14%	0.141	22%	0.22	C	C	.	.			trans	-134.9	158.4	179.1	64.7	-92.5	0	0	0	111.3	L224 V260 L264 L268 A332 H333	L224-Y266 HydrophobicContact CD1-CD1 4.39Å; L224-Y266 HydrophobicContact CD1-CG 4.31Å; V260-Y266 HydrophobicContact CB-CE1 4.2Å; V260-Y266 HydrophobicContact CB-CE2 3.93Å; V260-Y266 HydrophobicContact CG1-CD1 4Å; V260-Y266 HydrophobicContact CG1-CD2 4Å; V260-Y266 HydrophobicContact CG1-CE1 3.76Å; V260-Y266 HydrophobicContact CG1-CE2 3.77Å; V260-Y266 HydrophobicContact CG1-CG 4.13Å; V260-Y266 HydrophobicContact CG2-CE2 4.01Å; L264-Y266 PolarHBondContact O-N 3.29Å; Y266-L268 HydrophobicContact CE2-CB 4.48Å; Y266-A332 HydrophobicContact CD2-CB 3.93Å; Y266-A332 HydrophobicContact CG-CB 4.27Å; Y266-H333 CarbonylContact C-O 3.57Å; Y266-H333 VanDerWaalsContact CA-O 3.26Å; Y266-H333 WeakPolarHBondContact CA-O 3.41Å
267	E	82.2	Confident	85.2	Confident	24 Å²	24	38.8 Å²	38.8	11%	0.112	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.4	168.3	-70.9	-175.5	-160.2	0	0	110.3	P129 F130 P153 V154 F269 A332 H333	P129-E267 WeakPolarHBondContact CB-OE1 3.28Å; P129-E267 WeakPolarHBondContact CB-OE2 3.38Å; F130-E267 WeakPolarHBondContact CE1-OE2 3.46Å; F130-E267 WeakPolarHBondContact CZ-OE2 3.41Å; P153-E267 WeakPolarHBondContact CA-OE1 3.26Å; V154-E267 HydrophobicContact CB-CG 4.15Å; V154-E267 HydrophobicContact CG2-CG 3.95Å; V154-E267 PolarHBondContact N-OE1 2.72Å; E267-F269 HydrophobicContact CB-CE2 3.88Å; E267-F269 HydrophobicContact CB-CZ 4.29Å; E267-A332 WeakPolarHBondContact O-CA 3.32Å; E267-H333 PolarHBondContact N-O 2.88Å; E267-H333 PolarHBondContact O-N 3.48Å
268	L	84.1	Confident	84.5	Confident	6 Å²	6	38 Å²	38	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.6	-175.3	-175.5	68.5	0	0	0	112	V260 Y266 L279 N313 C330	V260-L268 HydrophobicContact CG2-CD1 4.13Å; Y266-L268 HydrophobicContact CE2-CB 4.48Å; L268-L279 HydrophobicContact CB-CD2 4.42Å; L268-L279 PolarHBondContact O-N 2.96Å; L268-N313 HydrophobicContact CD2-CB 3.26Å; L268-C330 HydrophobicContact CD1-CB 4.15Å
269	F	86.5	Confident	83.4	Confident	35 Å²	35	39.1 Å²	39.1	15%	0.154	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.9	176.1	-55.5	-97.3	0	0	0	110.2	F130 E267 V276 C330 V331 H333	F130-F269 HydrophobicContact CE1-CE1 4.25Å; F130-F269 AromaticContact CE1-CZ 3.92Å; F130-F269 HydrophobicContact CE1-CZ 3.92Å; F130-F269 HydrophobicContact CE2-CE1 4.09Å; F130-F269 HydrophobicContact CE2-CZ 4.49Å; F130-F269 AromaticContact CZ-CE1 3.45Å; F130-F269 HydrophobicContact CZ-CE1 3.45Å; F130-F269 VanDerWaalsContact CZ-CE1 3.45Å; F130-F269 AromaticContact CZ-CZ 3.45Å; F130-F269 HydrophobicContact CZ-CZ 3.45Å; F130-F269 VanDerWaalsContact CZ-CZ 3.45Å; E267-F269 HydrophobicContact CB-CE2 3.88Å; E267-F269 HydrophobicContact CB-CZ 4.29Å; F269-V276 HydrophobicContact CB-CG1 3.85Å; F269-V276 HydrophobicContact CD1-CG1 3.81Å; F269-V276 HydrophobicContact CG-CG1 4.28Å; F269-C330 WeakPolarHBondContact O-CA 3.36Å; F269-V331 HydrophobicContact CB-CB 4.4Å; F269-V331 PolarHBondContact N-O 2.92Å; F269-V331 PolarHBondContact O-N 3.08Å; F269-H333 HydrophobicContact CD2-CB 4.45Å; F269-H333 HydrophobicContact CE2-CB 3.97Å
270	W	87.8	Confident	81.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.8	168.1	-67.3	94.8	0	0	0	108.9	L228 L256 C258 V276 I277 N313 L315 C330	L228-W270 HydrophobicContact CD1-CH2 4.12Å; L228-W270 HydrophobicContact CD1-CZ3 3.67Å; L256-W270 HydrophobicContact CB-CH2 3.99Å; L256-W270 HydrophobicContact CB-CZ3 3.78Å; L256-W270 WeakPolarHBondContact O-CH2 3.44Å; C258-W270 HydrophobicContact CB-CH2 3.57Å; C258-W270 HydrophobicContact CB-CZ2 3.8Å; C258-W270 HydrophobicContact CB-CZ3 4.24Å; W270-V276 WeakPolarHBondContact O-CA 3.39Å; W270-I277 HydrophobicContact CB-CB 4.25Å; W270-I277 PolarHBondContact N-O 2.83Å; W270-I277 PolarHBondContact O-N 2.98Å; W270-N313 HydrophobicContact CZ2-CB 4.39Å; W270-N313 WeakPolarHBondContact CZ2-O 3.45Å; W270-L315 HydrophobicContact CB-CD2 4.3Å; W270-L315 HydrophobicContact CD2-CB 3.83Å; W270-L315 HydrophobicContact CD2-CD2 3.72Å; W270-L315 HydrophobicContact CD2-CG 4.42Å; W270-L315 HydrophobicContact CE3-CB 4.05Å; W270-L315 HydrophobicContact CE3-CD2 3.66Å; W270-L315 HydrophobicContact CG-CD2 4.02Å; W270-L315 HydrophobicContact CH2-CB 3.72Å; W270-L315 HydrophobicContact CZ2-CB 3.5Å; W270-L315 VanDerWaalsContact CZ2-CB 3.5Å; W270-L315 HydrophobicContact CZ3-CB 4Å; W270-L315 HydrophobicContact CZ3-CD2 4.19Å; W270-C330 HydrophobicContact CE3-CB 4.16Å; W270-C330 HydrophobicContact CZ3-CB 4.26Å
271	V	90.8	Very high	79.9	Confident	46 Å²	46	41.2 Å²	41.2	28%	0.279	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.1	176.1	-177.7	0	0	0	0	108.2	V276 W328 L329 V331	V271-V276 HydrophobicContact CG2-CG2 4.4Å; V271-W328 WeakPolarHBondContact O-CA 3.38Å; V271-L329 HydrophobicContact CB-CD1 3.7Å; V271-L329 HydrophobicContact CB-CG 4Å; V271-L329 HydrophobicContact CG1-CD1 4.49Å; V271-L329 HydrophobicContact CG2-CD1 3.64Å; V271-L329 HydrophobicContact CG2-CG 4.47Å; V271-L329 PolarHBondContact N-O 2.8Å; V271-L329 PolarHBondContact O-N 2.68Å; V271-V331 HydrophobicContact CG2-CG2 3.94Å
272	S	88.9	Confident	78	Confident	8 Å²	8	37.9 Å²	37.9	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	162.6	176.2	75.6	0	0	0	0	111	T274 G275 W328	S272-T274 PolarHBondContact O-N 3.28Å; S272-T274 VanDerWaalsContact O-N 3.08Å; S272-T274 PolarHBondContact OG-N 3.09Å; S272-T274 PolarHBondContact OG-OG1 2.67Å; S272-G275 WeakPolarHBondContact CB-O 3.4Å; S272-G275 PolarHBondContact N-O 2.82Å; S272-G275 PolarHBondContact O-N 2.88Å; S272-G275 PolarHBondContact OG-N 2.86Å; S272-G275 PolarHBondContact OG-O 3.42Å; S272-W328 VanDerWaalsContact CB-CZ3 3.42Å
273	P	88	Confident	75.9	Confident	57 Å²	57	42.5 Å²	42.5	37%	0.37	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.6	171.2	-25.9	36.3	0	0	0	114	K327	P273-K327 WeakPolarHBondContact CD-O 3.48Å
274	T	84.3	Confident	73.8	Confident	84 Å²	84	43 Å²	43	52%	0.515	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.9	178.1	34.7	0	0	0	0	115	S272 Y323	S272-T274 PolarHBondContact O-N 3.28Å; S272-T274 VanDerWaalsContact O-N 3.08Å; S272-T274 PolarHBondContact OG-N 3.09Å; S272-T274 PolarHBondContact OG-OG1 2.67Å; T274-Y323 HydrophobicContact CG2-CD2 3.85Å
275	G	86	Confident	72.1	Confident	35 Å²	35	49.9 Å²	49.9	36%	0.361	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.2	-171.1	-176.6	0	0	0	0	0	114	S272	S272-G275 WeakPolarHBondContact CB-O 3.4Å; S272-G275 PolarHBondContact N-O 2.82Å; S272-G275 PolarHBondContact O-N 2.88Å; S272-G275 PolarHBondContact OG-N 2.86Å; S272-G275 PolarHBondContact OG-O 3.42Å
276	V	84.5	Confident	70.3	Confident	95 Å²	95	52.1 Å²	52.1	58%	0.576	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.2	-175	-171.5	0	0	0	0	110.9	F269 W270 V271	F269-V276 HydrophobicContact CB-CG1 3.85Å; F269-V276 HydrophobicContact CD1-CG1 3.81Å; F269-V276 HydrophobicContact CG-CG1 4.28Å; W270-V276 WeakPolarHBondContact O-CA 3.39Å; V271-V276 HydrophobicContact CG2-CG2 4.4Å
277	I	79.2	Confident	68.7	Low	28 Å²	28	54.8 Å²	54.8	14%	0.144	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.5	173.3	-52.4	160.5	0	0	0	107.1	W270 L304 I306	W270-I277 HydrophobicContact CB-CB 4.25Å; W270-I277 PolarHBondContact N-O 2.83Å; W270-I277 PolarHBondContact O-N 2.98Å; I277-L304 HydrophobicContact CD1-CD1 4.09Å; I277-I306 HydrophobicContact CG2-CD1 3.94Å
278	S	71.2	Confident	67.2	Low	21 Å²	21	57.5 Å²	57.5	15%	0.147	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145	179.4	-165.4	0	0	0	0	111.4	S280	S278-S280 PolarHBondContact O-N 2.93Å; S278-S280 VanDerWaalsContact O-N 3.12Å; S278-S280 VanDerWaalsContact OG-CB 3.27Å; S278-S280 WeakPolarHBondContact OG-CB 3.46Å; S278-S280 PolarHBondContact OG-OG 2.84Å
279	L	64.3	Low	65.7	Low	23 Å²	23	59.5 Å²	59.5	12%	0.12	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-70.2	0.7	174.7	-159	72.8	0	0	0	112.7	L268 I282 Y289 I306 Q308 N313	L268-L279 HydrophobicContact CB-CD2 4.42Å; L268-L279 PolarHBondContact O-N 2.96Å; L279-I282 HydrophobicContact CD1-CD1 4.08Å; L279-I282 HydrophobicContact CG-CD1 3.95Å; L279-I282 WeakPolarHBondContact O-CD1 3.49Å; L279-I282 VanDerWaalsContact O-CG1 3.31Å; L279-I282 WeakPolarHBondContact O-CG1 3.13Å; L279-Y289 HydrophobicContact CD1-CE1 4.08Å; L279-I306 HydrophobicContact CD1-CG2 3.49Å; L279-I306 VanDerWaalsContact CD1-CG2 3.49Å; L279-Q308 HydrophobicContact CD2-CB 4.46Å; L279-N313 VanDerWaalsContact CD2-OD1 3.3Å; L279-N313 WeakPolarHBondContact CD2-OD1 3.16Å
280	S	53.5	Low	64.3	Low	21 Å²	21	60.1 Å²	60.1	15%	0.147	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-97	-13.3	-151.3	88.1	0	0	0	0	113.8	P129 F130 S278	P129-S280 WeakPolarHBondContact CG-OG 3.29Å; F130-S280 WeakPolarHBondContact CE2-OG 3.33Å; S278-S280 PolarHBondContact O-N 2.93Å; S278-S280 VanDerWaalsContact O-N 3.12Å; S278-S280 VanDerWaalsContact OG-CB 3.27Å; S278-S280 WeakPolarHBondContact OG-CB 3.46Å; S278-S280 PolarHBondContact OG-OG 2.84Å
281	T	46	Very low	63	Low	81 Å²	81	64.2 Å²	64.2	50%	0.497	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-85.1	-11.1	-178.4	-18.3	0	0	0	0	114.8	T104	T104-T281 HydrophobicContact CG2-CG2 3.71Å
282	I	47.9	Very low	61.7	Low	38 Å²	38	68.1 Å²	68.1	20%	0.195	39%	0.39	C	S	.	.			trans	-64.6	135.7	-167.7	-50.4	161.2	0	0	0	110.9	R103 L279 Y289	R103-I282 WeakPolarHBondContact CD-O 3.33Å; R103-I282 PolarHBondContact NH1-O 2.96Å; L279-I282 HydrophobicContact CD1-CD1 4.08Å; L279-I282 HydrophobicContact CG-CD1 3.95Å; L279-I282 WeakPolarHBondContact O-CD1 3.49Å; L279-I282 VanDerWaalsContact O-CG1 3.31Å; L279-I282 WeakPolarHBondContact O-CG1 3.13Å; I282-Y289 HydrophobicContact CD1-CD1 3.6Å; I282-Y289 HydrophobicContact CD1-CE1 3.1Å; I282-Y289 HydrophobicContact CD1-CE2 4.48Å; I282-Y289 HydrophobicContact CD1-CG 4.46Å; I282-Y289 HydrophobicContact CG1-CD1 3.78Å; I282-Y289 HydrophobicContact CG1-CD2 4.23Å; I282-Y289 HydrophobicContact CG1-CE1 3.44Å; I282-Y289 VanDerWaalsContact CG1-CE1 3.44Å; I282-Y289 HydrophobicContact CG1-CE2 3.91Å; I282-Y289 HydrophobicContact CG1-CG 4.16Å; I282-Y289 VanDerWaalsContact CG1-CZ 3.48Å; I282-Y289 HydrophobicContact CG2-CD1 4.19Å; I282-Y289 HydrophobicContact CG2-CG 4.25Å
283	K	39.9	Very low	60.5	Low	124 Å²	124	73.7 Å²	73.7	54%	0.539	41%	0.41	S	S	.	.			trans	-91.3	145.2	165.6	-76.6	-159.6	175.7	-152.2	0	111.9	E100	E100-K283 VanDerWaalsContact OE1-CE 3.28Å; E100-K283 WeakPolarHBondContact OE1-CE 3.45Å; E100-K283 IonicContact OE1-NZ 3.9Å; E100-K283 PolarHBondContact OE1-NZ 3.34Å
284	S	39.2	Very low	59.3	Low	87 Å²	87	75.3 Å²	75.3	61%	0.608	42%	0.419	S	S	*	.	S	Bend	trans	72.3	171.1	170.7	-150	0	0	0	0	118.1	V286	S284-V286 VanDerWaalsContact C-N 3.31Å; S284-V286 PolarHBondContact O-N 3.04Å
285	E	45.8	Very low	58.2	Low	153 Å²	153	74.6 Å²	74.6	72%	0.715	41%	0.414	S	S	*	.	S	Bend	trans	-91.8	42.3	-167.9	-62.9	173.5	152.4	0	0	111.9	R125	R125-E285 IonicContact CZ-OE1 3.91Å; R125-E285 IonicContact NH1-OE1 3.92Å; R125-E285 PolarHBondContact NH1-OE1 2.88Å; R125-E285 IonicContact NH1-OE2 3.73Å; R125-E285 PolarHBondContact NH1-OE2 2.87Å; R125-E285 VanDerWaalsContact NH1-OE2 3.09Å
286	V	42.2	Very low	56.9	Low	92 Å²	92	80.8 Å²	80.8	56%	0.558	43%	0.434	S	S	*	.			trans	-110.9	130.2	-175.2	-173.7	0	0	0	0	110.2	S284 T288	S284-V286 VanDerWaalsContact C-N 3.31Å; S284-V286 PolarHBondContact O-N 3.04Å; V286-T288 PolarHBondContact O-N 3.11Å
287	T	50.5	Low	55.3	Low	92 Å²	92	82.3 Å²	82.3	56%	0.564	45%	0.445	S	S	*	.	S	Bend	trans	-70.7	-8.7	-174.2	48.8	0	0	0	0	114.9	T307 Q308	T287-T307 VanDerWaalsContact O-CA 3.23Å; T287-T307 WeakPolarHBondContact O-CA 3.24Å; T287-T307 WeakPolarHBondContact O-CB 3.41Å; T287-Q308 PolarHBondContact O-N 2.73Å
288	T	51	Low	54.3	Low	81 Å²	81	85.7 Å²	85.7	50%	0.497	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.4	-178.3	68.1	0	0	0	0	111.3	V286 T307	V286-T288 PolarHBondContact O-N 3.11Å; T288-T307 HydrophobicContact CG2-CG2 3.56Å
289	Y	53	Low	53.8	Low	48 Å²	48	93.6 Å²	93.6	19%	0.188	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.5	169.6	73.3	-78.6	0	0	0	111.3	L279 I282 H305 I306	L279-Y289 HydrophobicContact CD1-CE1 4.08Å; I282-Y289 HydrophobicContact CD1-CD1 3.6Å; I282-Y289 HydrophobicContact CD1-CE1 3.1Å; I282-Y289 HydrophobicContact CD1-CE2 4.48Å; I282-Y289 HydrophobicContact CD1-CG 4.46Å; I282-Y289 HydrophobicContact CG1-CD1 3.78Å; I282-Y289 HydrophobicContact CG1-CD2 4.23Å; I282-Y289 HydrophobicContact CG1-CE1 3.44Å; I282-Y289 VanDerWaalsContact CG1-CE1 3.44Å; I282-Y289 HydrophobicContact CG1-CE2 3.91Å; I282-Y289 HydrophobicContact CG1-CG 4.16Å; I282-Y289 VanDerWaalsContact CG1-CZ 3.48Å; I282-Y289 HydrophobicContact CG2-CD1 4.19Å; I282-Y289 HydrophobicContact CG2-CG 4.25Å; Y289-H305 WeakPolarHBondContact O-CA 3.14Å; Y289-I306 HydrophobicContact CD1-CB 4.16Å; Y289-I306 WeakPolarHBondContact CD1-O 3.05Å; Y289-I306 HydrophobicContact CE1-CB 3.44Å; Y289-I306 VanDerWaalsContact CE1-CB 3.44Å; Y289-I306 HydrophobicContact CE1-CG2 3.59Å; Y289-I306 WeakPolarHBondContact CE1-O 3.32Å; Y289-I306 HydrophobicContact CE2-CB 4.22Å; Y289-I306 HydrophobicContact CE2-CD1 4.34Å; Y289-I306 PolarHBondContact N-O 2.99Å; Y289-I306 PolarHBondContact O-N 2.87Å; Y289-I306 WeakPolarHBondContact OH-CD1 3.22Å
290	S	56	Low	54	Low	48 Å²	48	94.5 Å²	94.5	34%	0.336	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.5	-179.9	65.8	0	0	0	0	111	H292 H305	S290-H292 WeakPolarHBondContact CB-NE2 3.23Å; S290-H292 PolarHBondContact OG-NE2 3.32Å; S290-H305 VanDerWaalsContact CB-CE1 3.48Å; S290-H305 WeakPolarHBondContact CB-CE1 3.39Å
291	L	61.6	Low	55	Low	86 Å²	86	96.1 Å²	96.1	45%	0.45	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.4	175.3	-166.3	81.3	0	0	0	108.5	L304	L291-L304 HydrophobicContact CB-CB 4.25Å; L291-L304 HydrophobicContact CD2-CD1 4.4Å; L291-L304 PolarHBondContact N-O 2.78Å; L291-L304 PolarHBondContact O-N 3.1Å
292	H	62.8	Low	56.4	Low	129 Å²	129	92.4 Å²	92.4	60%	0.597	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	113	-172.5	-68.2	-100.7	0	0	0	110.4	S290	S290-H292 WeakPolarHBondContact CB-NE2 3.23Å; S290-H292 PolarHBondContact OG-NE2 3.32Å
293	Y	64.5	Low	57.7	Low	124 Å²	124	91.1 Å²	91.1	49%	0.486	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	97.8	179.6	-159.5	-94.6	0	0	0	110.8	V295 T302 Y323	Y293-V295 HydrophobicContact CD1-CG2 3.78Å; Y293-V295 HydrophobicContact CE1-CG2 3.54Å; Y293-T302 PolarHBondContact N-O 3.11Å; Y293-T302 PolarHBondContact O-N 3.28Å; Y293-Y323 HydrophobicContact CD1-CE2 4.22Å; Y293-Y323 AromaticContact CD1-CZ 3.97Å; Y293-Y323 WeakPolarHBondContact CD1-OH 3.36Å; Y293-Y323 HydrophobicContact CE1-CE2 4.3Å
294	V	63.1	Low	59.4	Low	91 Å²	91	85.7 Å²	85.7	55%	0.552	47%	0.471	S	S	*	.			trans	-96.2	101.2	-173.7	-172.1	0	0	0	0	110.5	Q296 P301	V294-Q296 HydrophobicContact CG1-CG 4.2Å; V294-P301 HydrophobicContact CB-CB 4.32Å; V294-P301 HydrophobicContact CG1-CB 4.36Å; V294-P301 HydrophobicContact CG2-CB 3.88Å
295	V	60	Low	61.1	Low	69 Å²	69	83.8 Å²	83.8	42%	0.418	45%	0.452	S	S	.	.			trans	-93.3	111.9	167.6	-178.2	0	0	0	0	108.3	Y293 Y323	Y293-V295 HydrophobicContact CD1-CG2 3.78Å; Y293-V295 HydrophobicContact CE1-CG2 3.54Å; V295-Y323 HydrophobicContact CG2-CE1 4.06Å
296	Q	59.8	Low	62.4	Low	166 Å²	166	76.5 Å²	76.5	78%	0.776	42%	0.418	S	S	*	.	S	Bend	trans	-83.4	151.5	-179.1	-66.6	-172.9	-13.6	0	0	112.4	V294	V294-Q296 HydrophobicContact CG1-CG 4.2Å
297	P	50.3	Low	63.6	Low	126 Å²	126	73.1 Å²	73.1	82%	0.818	40%	0.398	S	S	*	.	S	Bend	cis	-110	108.7	-11.2	33.6	-19.7	0	0	0	111.3
298	I	58.4	Low	64.3	Low	100 Å²	100	72 Å²	72	51%	0.513	39%	0.387	S	S	.	.	S	Bend	trans	-134.7	145	176	-53.7	178.1	0	0	0	108.6	A300	I298-A300 PolarHBondContact O-N 3.03Å
299	L	61	Low	64.8	Low	187 Å²	187	71.5 Å²	71.5	98%	0.979	38%	0.383	S	S	*	.	S	Bend	trans	-55	-18	-171	-78.3	76.7	0	0	0	116.2
300	A	68.2	Low	65.3	Low	41 Å²	41	75.6 Å²	75.6	34%	0.339	41%	0.408	S	S	.	.	S	Bend	trans	-146.8	131.6	175.8	0	0	0	0	0	110.6	I298 N319 R321	I298-A300 PolarHBondContact O-N 3.03Å; A300-N319 VanDerWaalsContact C-ND2 3.33Å; A300-N319 WeakPolarHBondContact CB-ND2 3.45Å; A300-N319 PolarHBondContact O-ND2 3.47Å; A300-R321 PolarHBondContact O-NH2 2.06Å
301	P	74.3	Confident	65.6	Low	55 Å²	55	78 Å²	78	36%	0.357	42%	0.417	S	S	.	.			trans	-75.8	163.1	174.8	34.7	-36.6	0	0	0	111.5	V294 N319	V294-P301 HydrophobicContact CB-CB 4.32Å; V294-P301 HydrophobicContact CG1-CB 4.36Å; V294-P301 HydrophobicContact CG2-CB 3.88Å; P301-N319 PolarHBondContact O-ND2 2.89Å
302	T	75.8	Confident	65.9	Low	3 Å²	3	76.8 Å²	76.8	2%	0.018	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.7	172.2	-66.5	0	0	0	0	108.7	Y293 V317 N319 R321 Y323 L324	Y293-T302 PolarHBondContact N-O 3.11Å; Y293-T302 PolarHBondContact O-N 3.28Å; T302-V317 HydrophobicContact CG2-CG1 3.61Å; T302-N319 PolarHBondContact OG1-O 3.08Å; T302-R321 VanDerWaalsContact OG1-CG 3.24Å; T302-R321 WeakPolarHBondContact OG1-CG 3.24Å; T302-Y323 VanDerWaalsContact CB-OH 3.29Å; T302-Y323 WeakPolarHBondContact CB-OH 2.91Å; T302-Y323 PolarHBondContact OG1-OH 2.8Å; T302-L324 HydrophobicContact CG2-CD1 4.11Å
303	V	73.8	Confident	66.6	Low	11 Å²	11	70.7 Å²	70.7	7%	0.067	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125	-179	-167.2	0	0	0	0	109.2	H305 V317 E318	V303-H305 VanDerWaalsContact CG1-NE2 3.31Å; V303-H305 WeakPolarHBondContact CG1-NE2 3.34Å; V303-V317 CarbonylContact O-C 3.56Å; V303-V317 WeakPolarHBondContact O-CA 3.23Å; V303-E318 HydrophobicContact CB-CB 4.33Å; V303-E318 PolarHBondContact N-O 2.84Å; V303-E318 PolarHBondContact O-N 3.29Å
304	L	76.6	Confident	67.5	Low	11 Å²	11	67.2 Å²	67.2	6%	0.058	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	90.2	179	-60.4	166	0	0	0	107.4	I277 L291 L315 V317	I277-L304 HydrophobicContact CD1-CD1 4.09Å; L291-L304 HydrophobicContact CB-CB 4.25Å; L291-L304 HydrophobicContact CD2-CD1 4.4Å; L291-L304 PolarHBondContact N-O 2.78Å; L291-L304 PolarHBondContact O-N 3.1Å; L304-L315 HydrophobicContact CB-CD1 4.46Å; L304-L315 HydrophobicContact CD2-CD1 4.26Å; L304-V317 HydrophobicContact CD2-CB 4.09Å; L304-V317 HydrophobicContact CD2-CG1 3.62Å; L304-V317 HydrophobicContact CD2-CG2 3.59Å
305	H	75.3	Confident	68.5	Low	46 Å²	46	62.9 Å²	62.9	21%	0.213	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.3	167.7	-68	-99.7	0	0	0	108.4	Y289 S290 V303 D316	Y289-H305 WeakPolarHBondContact O-CA 3.14Å; S290-H305 VanDerWaalsContact CB-CE1 3.48Å; S290-H305 WeakPolarHBondContact CB-CE1 3.39Å; V303-H305 VanDerWaalsContact CG1-NE2 3.31Å; V303-H305 WeakPolarHBondContact CG1-NE2 3.34Å; H305-D316 WeakPolarHBondContact CA-O 3.34Å; H305-D316 HydrophobicContact CB-CB 4.21Å; H305-D316 WeakPolarHBondContact CB-O 3.38Å; H305-D316 PolarHBondContact N-O 3.29Å; H305-D316 PolarHBondContact O-N 2.76Å; H305-D316 VanDerWaalsContact O-O 3.12Å
306	I	72.7	Confident	69.7	Low	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134	172.3	-60.9	167.9	0	0	0	106.9	I277 L279 Y289 L314 L315	I277-I306 HydrophobicContact CG2-CD1 3.94Å; L279-I306 HydrophobicContact CD1-CG2 3.49Å; L279-I306 VanDerWaalsContact CD1-CG2 3.49Å; Y289-I306 HydrophobicContact CD1-CB 4.16Å; Y289-I306 WeakPolarHBondContact CD1-O 3.05Å; Y289-I306 HydrophobicContact CE1-CB 3.44Å; Y289-I306 VanDerWaalsContact CE1-CB 3.44Å; Y289-I306 HydrophobicContact CE1-CG2 3.59Å; Y289-I306 WeakPolarHBondContact CE1-O 3.32Å; Y289-I306 HydrophobicContact CE2-CB 4.22Å; Y289-I306 HydrophobicContact CE2-CD1 4.34Å; Y289-I306 PolarHBondContact N-O 2.99Å; Y289-I306 PolarHBondContact O-N 2.87Å; Y289-I306 WeakPolarHBondContact OH-CD1 3.22Å; I306-L314 CarbonylContact C-O 3.6Å; I306-L314 WeakPolarHBondContact CA-O 3.35Å; I306-L315 HydrophobicContact CD1-CD1 3.98Å; I306-L315 HydrophobicContact CG1-CB 4.36Å; I306-L315 HydrophobicContact CG1-CD1 3.52Å
307	T	68	Low	70.8	Confident	22 Å²	22	51.9 Å²	51.9	14%	0.135	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	119.9	-175.1	71	0	0	0	0	108.9	T287 T288 L314	T287-T307 VanDerWaalsContact O-CA 3.23Å; T287-T307 WeakPolarHBondContact O-CA 3.24Å; T287-T307 WeakPolarHBondContact O-CB 3.41Å; T288-T307 HydrophobicContact CG2-CG2 3.56Å; T307-L314 PolarHBondContact N-O 2.98Å; T307-L314 PolarHBondContact O-N 3.26Å; T307-L314 WeakPolarHBondContact OG1-CB 3.29Å
308	Q	65.1	Low	72.3	Confident	69 Å²	69	49.4 Å²	49.4	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118.9	171	-177.2	170.5	16.4	0	0	108.4	L279 T287 N310 N313	L279-Q308 HydrophobicContact CD2-CB 4.46Å; T287-Q308 PolarHBondContact O-N 2.73Å; Q308-N310 WeakPolarHBondContact CG-O 3.41Å; Q308-N310 PolarHBondContact NE2-O 3.19Å; Q308-N313 WeakPolarHBondContact CG-OD1 3.47Å
309	V	61.7	Low	73.4	Confident	70 Å²	70	46 Å²	46	42%	0.424	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	102.1	177	-176.8	0	0	0	0	107.1	D311 T312	V309-D311 PolarHBondContact O-N 3.28Å; V309-T312 CarbonylContact C-O 3.58Å; V309-T312 PolarHBondContact N-O 2.91Å; V309-T312 PolarHBondContact O-N 2.81Å; V309-T312 VanDerWaalsContact O-N 3.11Å; V309-T312 VanDerWaalsContact O-O 3.07Å; V309-T312 PolarHBondContact O-OG1 2.77Å
310	N	62.8	Low	74.4	Confident	134 Å²	134	37.1 Å²	37.1	72%	0.717	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	-132	-167.8	-50	-14.5	0	0	0	109.9	Q308 T312	Q308-N310 WeakPolarHBondContact CG-O 3.41Å; Q308-N310 PolarHBondContact NE2-O 3.19Å; N310-T312 VanDerWaalsContact C-N 3.31Å
311	D	62.4	Low	75.1	Confident	97 Å²	97	37.3 Å²	37.3	52%	0.519	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.1	178.6	-46.8	-73.4	0	0	0	113.1	V309 N313	V309-D311 PolarHBondContact O-N 3.28Å; D311-N313 PolarHBondContact O-ND2 3.27Å
312	T	67.4	Low	75.5	Confident	61 Å²	61	37 Å²	37	37%	0.374	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.7	175	65.9	0	0	0	0	110.7	V309 N310	V309-T312 CarbonylContact C-O 3.58Å; V309-T312 PolarHBondContact N-O 2.91Å; V309-T312 PolarHBondContact O-N 2.81Å; V309-T312 VanDerWaalsContact O-N 3.11Å; V309-T312 VanDerWaalsContact O-O 3.07Å; V309-T312 PolarHBondContact O-OG1 2.77Å; N310-T312 VanDerWaalsContact C-N 3.31Å
313	N	77.9	Confident	75.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.2	178.5	-73.8	-93.9	0	0	0	108.6	C258 L268 W270 L279 Q308 D311	C258-N313 HydrophobicContact CB-CB 4.48Å; C258-N313 PolarHBondContact N-O 2.87Å; C258-N313 PolarHBondContact O-N 2.86Å; L268-N313 HydrophobicContact CD2-CB 3.26Å; W270-N313 HydrophobicContact CZ2-CB 4.39Å; W270-N313 WeakPolarHBondContact CZ2-O 3.45Å; L279-N313 VanDerWaalsContact CD2-OD1 3.3Å; L279-N313 WeakPolarHBondContact CD2-OD1 3.16Å; Q308-N313 WeakPolarHBondContact CG-OD1 3.47Å; D311-N313 PolarHBondContact O-ND2 3.27Å
314	L	82.3	Confident	76.5	Confident	52 Å²	52	40.1 Å²	40.1	27%	0.272	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.7	179.9	163.8	64.7	0	0	0	109.1	L256 I257 I306 T307 D316	L256-L314 CarbonylContact O-C 3.46Å; L256-L314 WeakPolarHBondContact O-CA 3.32Å; I257-L314 HydrophobicContact CG1-CD1 3.98Å; I306-L314 CarbonylContact C-O 3.6Å; I306-L314 WeakPolarHBondContact CA-O 3.35Å; T307-L314 PolarHBondContact N-O 2.98Å; T307-L314 PolarHBondContact O-N 3.26Å; T307-L314 WeakPolarHBondContact OG1-CB 3.29Å; L314-D316 HydrophobicContact CD1-CB 4.23Å; L314-D316 HydrophobicContact CG-CB 4.31Å
315	L	85.6	Confident	77.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.6	163.1	163.4	64.5	0	0	0	107.9	L256 W270 L304 I306 V317 W328	L256-L315 HydrophobicContact CB-CB 4.35Å; L256-L315 HydrophobicContact CD1-CD2 4.03Å; L256-L315 PolarHBondContact N-O 2.82Å; L256-L315 PolarHBondContact O-N 2.89Å; W270-L315 HydrophobicContact CB-CD2 4.3Å; W270-L315 HydrophobicContact CD2-CB 3.83Å; W270-L315 HydrophobicContact CD2-CD2 3.72Å; W270-L315 HydrophobicContact CD2-CG 4.42Å; W270-L315 HydrophobicContact CE3-CB 4.05Å; W270-L315 HydrophobicContact CE3-CD2 3.66Å; W270-L315 HydrophobicContact CG-CD2 4.02Å; W270-L315 HydrophobicContact CH2-CB 3.72Å; W270-L315 HydrophobicContact CZ2-CB 3.5Å; W270-L315 VanDerWaalsContact CZ2-CB 3.5Å; W270-L315 HydrophobicContact CZ3-CB 4Å; W270-L315 HydrophobicContact CZ3-CD2 4.19Å; L304-L315 HydrophobicContact CB-CD1 4.46Å; L304-L315 HydrophobicContact CD2-CD1 4.26Å; I306-L315 HydrophobicContact CD1-CD1 3.98Å; I306-L315 HydrophobicContact CG1-CB 4.36Å; I306-L315 HydrophobicContact CG1-CD1 3.52Å; L315-V317 HydrophobicContact CD1-CG2 4.08Å; L315-V317 HydrophobicContact CG-CG2 4.16Å; L315-W328 HydrophobicContact CD2-CE3 4.13Å; L315-W328 HydrophobicContact CD2-CH2 4.43Å; L315-W328 HydrophobicContact CD2-CZ3 3.57Å
316	D	83.5	Confident	77.8	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	112.6	-175	179.9	65.6	0	0	0	110.6	R253 L254 S255 H305 L314	R253-D316 VanDerWaalsContact CG-OD1 3.3Å; R253-D316 WeakPolarHBondContact CG-OD1 3.42Å; R253-D316 IonicContact CZ-OD1 2.74Å; R253-D316 IonicContact CZ-OD2 2.83Å; R253-D316 VanDerWaalsContact NE-CG 3.25Å; R253-D316 IonicContact NE-OD1 3.44Å; R253-D316 PolarHBondContact NE-OD1 3.36Å; R253-D316 IonicContact NE-OD2 2.73Å; R253-D316 PolarHBondContact NE-OD2 3.22Å; R253-D316 IonicContact NH2-OD2 2.64Å; R253-D316 PolarHBondContact NH2-OD2 3.05Å; L254-D316 CarbonylContact O-C 3.46Å; L254-D316 WeakPolarHBondContact O-CA 3.38Å; S255-D316 PolarHBondContact OG-OD1 2.89Å; H305-D316 WeakPolarHBondContact CA-O 3.34Å; H305-D316 HydrophobicContact CB-CB 4.21Å; H305-D316 WeakPolarHBondContact CB-O 3.38Å; H305-D316 PolarHBondContact N-O 3.29Å; H305-D316 PolarHBondContact O-N 2.76Å; H305-D316 VanDerWaalsContact O-O 3.12Å; L314-D316 HydrophobicContact CD1-CB 4.23Å; L314-D316 HydrophobicContact CG-CB 4.31Å
317	V	84.6	Confident	78.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.4	-172.3	-169.8	0	0	0	0	109.6	R253 L254 T302 V303 L304 L315 T320 L324	R253-V317 CarbonylContact C-O 3.25Å; R253-V317 WeakPolarHBondContact CA-O 3.45Å; L254-V317 HydrophobicContact CB-CB 4.16Å; L254-V317 HydrophobicContact CD2-CB 4.41Å; L254-V317 HydrophobicContact CD2-CG2 4.23Å; L254-V317 HydrophobicContact CG-CB 4.47Å; L254-V317 HydrophobicContact CG-CG2 4.4Å; L254-V317 PolarHBondContact N-O 3.42Å; L254-V317 PolarHBondContact O-N 3.42Å; T302-V317 HydrophobicContact CG2-CG1 3.61Å; V303-V317 CarbonylContact O-C 3.56Å; V303-V317 WeakPolarHBondContact O-CA 3.23Å; L304-V317 HydrophobicContact CD2-CB 4.09Å; L304-V317 HydrophobicContact CD2-CG1 3.62Å; L304-V317 HydrophobicContact CD2-CG2 3.59Å; L315-V317 HydrophobicContact CD1-CG2 4.08Å; L315-V317 HydrophobicContact CG-CG2 4.16Å; V317-T320 HydrophobicContact CB-CG2 4.16Å; V317-T320 HydrophobicContact CG1-CG2 3.96Å; V317-L324 HydrophobicContact CG1-CD1 3.68Å
318	E	81.8	Confident	79.7	Confident	73 Å²	73	46.6 Å²	46.6	34%	0.341	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.1	169.8	-63.6	-158.3	155.4	0	0	110.7	R253 V303	R253-E318 IonicContact CZ-OE1 2.62Å; R253-E318 IonicContact NH1-OE1 2.72Å; V303-E318 HydrophobicContact CB-CB 4.33Å; V303-E318 PolarHBondContact N-O 2.84Å; V303-E318 PolarHBondContact O-N 3.29Å
319	N	80.1	Confident	81	Confident	30 Å²	30	45.1 Å²	45.1	16%	0.16	25%	0.247	C	C	.	.	S	Bend	trans	57	58.6	172	-176.1	40.4	0	0	0	113.4	G251 A300 P301 T302 R321	G251-N319 WeakPolarHBondContact CA-OD1 3.3Å; A300-N319 VanDerWaalsContact C-ND2 3.33Å; A300-N319 WeakPolarHBondContact CB-ND2 3.45Å; A300-N319 PolarHBondContact O-ND2 3.47Å; P301-N319 PolarHBondContact O-ND2 2.89Å; T302-N319 PolarHBondContact OG1-O 3.08Å; N319-R321 PolarHBondContact ND2-NH2 2.77Å; N319-R321 PolarHBondContact OD1-NH1 2.84Å; N319-R321 PolarHBondContact OD1-NH2 3.44Å
320	T	82.1	Confident	82.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.			trans	-56.7	150.1	-179.3	48.9	0	0	0	0	114.7	I248 F249 G251 R252 L254 V317 L324	I248-T320 HydrophobicContact CD1-CG2 4.25Å; F249-T320 PolarHBondContact O-OG1 2.82Å; G251-T320 PolarHBondContact N-O 3.39Å; R252-T320 WeakPolarHBondContact O-CB 3.47Å; R252-T320 WeakPolarHBondContact O-CG2 3.29Å; R252-T320 PolarHBondContact O-N 3.14Å; R252-T320 VanDerWaalsContact O-N 3.12Å; R252-T320 PolarHBondContact O-OG1 3.26Å; L254-T320 HydrophobicContact CB-CG2 3.54Å; L254-T320 HydrophobicContact CD2-CG2 3.96Å; L254-T320 HydrophobicContact CG-CG2 4.41Å; V317-T320 HydrophobicContact CB-CG2 4.16Å; V317-T320 HydrophobicContact CG1-CG2 3.96Å; T320-L324 HydrophobicContact CG2-CD1 4.14Å
321	R	83.6	Confident	83.7	Confident	45 Å²	45	36.6 Å²	36.6	17%	0.17	20%	0.2	C	C	.	.			trans	-139.5	158	-172.2	-69.1	-69.7	-175.1	-103.2	0.9	111.9	A300 T302 N319 Y323 L324	A300-R321 PolarHBondContact O-NH2 2.06Å; T302-R321 VanDerWaalsContact OG1-CG 3.24Å; T302-R321 WeakPolarHBondContact OG1-CG 3.24Å; N319-R321 PolarHBondContact ND2-NH2 2.77Å; N319-R321 PolarHBondContact OD1-NH1 2.84Å; N319-R321 PolarHBondContact OD1-NH2 3.44Å; R321-Y323 HydrophobicContact CB-CD1 3.64Å; R321-Y323 HydrophobicContact CB-CE1 3.39Å; R321-Y323 HydrophobicContact CG-CE1 3.92Å; R321-Y323 PolarHBondContact O-N 2.93Å; R321-Y323 VanDerWaalsContact O-N 3.14Å; R321-L324 WeakPolarHBondContact O-CB 3.48Å; R321-L324 PolarHBondContact O-N 3.32Å
322	G	82.6	Confident	85	Confident	49 Å²	49	32 Å²	32	51%	0.505	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-55.3	-31.7	-174.5	0	0	0	0	0	115.5	L324 S325	G322-L324 PolarHBondContact O-N 2.81Å; G322-S325 WeakPolarHBondContact O-CB 3.31Å; G322-S325 PolarHBondContact O-N 2.85Å; G322-S325 VanDerWaalsContact O-N 3.08Å
323	Y	84.5	Confident	86	Confident	75 Å²	75	31 Å²	31	29%	0.294	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-69	-16.7	178.9	68.8	-100.8	0	0	0	114	T274 Y293 V295 T302 R321 S325	T274-Y323 HydrophobicContact CG2-CD2 3.85Å; Y293-Y323 HydrophobicContact CD1-CE2 4.22Å; Y293-Y323 AromaticContact CD1-CZ 3.97Å; Y293-Y323 WeakPolarHBondContact CD1-OH 3.36Å; Y293-Y323 HydrophobicContact CE1-CE2 4.3Å; V295-Y323 HydrophobicContact CG2-CE1 4.06Å; T302-Y323 VanDerWaalsContact CB-OH 3.29Å; T302-Y323 WeakPolarHBondContact CB-OH 2.91Å; T302-Y323 PolarHBondContact OG1-OH 2.8Å; R321-Y323 HydrophobicContact CB-CD1 3.64Å; R321-Y323 HydrophobicContact CB-CE1 3.39Å; R321-Y323 HydrophobicContact CG-CE1 3.92Å; R321-Y323 PolarHBondContact O-N 2.93Å; R321-Y323 VanDerWaalsContact O-N 3.14Å; Y323-S325 PolarHBondContact O-N 2.77Å
324	L	86.1	Confident	86.4	Confident	4 Å²	4	31 Å²	31	2%	0.021	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-81.6	-0	172.9	-59.5	175.8	0	0	0	112.7	T302 V317 T320 R321 G322 W328 V348	T302-L324 HydrophobicContact CG2-CD1 4.11Å; V317-L324 HydrophobicContact CG1-CD1 3.68Å; T320-L324 HydrophobicContact CG2-CD1 4.14Å; R321-L324 WeakPolarHBondContact O-CB 3.48Å; R321-L324 PolarHBondContact O-N 3.32Å; G322-L324 PolarHBondContact O-N 2.81Å; L324-W328 HydrophobicContact CB-CZ2 4.09Å; L324-W328 HydrophobicContact CD2-CH2 4.26Å; L324-W328 HydrophobicContact CD2-CZ2 3.92Å; L324-W328 PolarHBondContact O-NE1 3Å; L324-V348 HydrophobicContact CB-CG2 4.41Å
325	S	88.3	Confident	86.3	Confident	46 Å²	46	30.5 Å²	30.5	32%	0.322	17%	0.168	S	C	.	.			trans	-79.6	130.4	-176.1	-157.8	0	0	0	0	111.4	G322 Y323 I346 R347 V348	G322-S325 WeakPolarHBondContact O-CB 3.31Å; G322-S325 PolarHBondContact O-N 2.85Å; G322-S325 VanDerWaalsContact O-N 3.08Å; Y323-S325 PolarHBondContact O-N 2.77Å; S325-I346 CarbonylContact C-O 3.59Å; S325-I346 WeakPolarHBondContact CA-O 3.41Å; S325-I346 PolarHBondContact OG-O 2.97Å; S325-R347 VanDerWaalsContact OG-CA 3.32Å; S325-R347 WeakPolarHBondContact OG-CA 3.41Å; S325-V348 PolarHBondContact OG-N 2.66Å; S325-V348 VanDerWaalsContact OG-N 3.1Å
326	G	89.9	Confident	86.1	Confident	19 Å²	19	32.6 Å²	32.6	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.4	-161.2	-177.3	0	0	0	0	0	111.9	N345 I346	G326-N345 PolarHBondContact O-OD1 3.39Å; G326-I346 PolarHBondContact N-O 2.76Å; G326-I346 PolarHBondContact O-N 2.83Å
327	K	91.4	Very high	86.2	Confident	148 Å²	148	34.6 Å²	34.6	64%	0.643	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.2	179.8	-63.1	-176.2	-179.1	-176.9	0	111.5	P273	P273-K327 WeakPolarHBondContact CD-O 3.48Å
328	W	90.6	Very high	86.5	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.8	170.4	-73.3	78.1	0	0	0	109.5	L256 V271 S272 L315 L324 P343 I344 I346	L256-W328 HydrophobicContact CD1-CD2 4.16Å; L256-W328 HydrophobicContact CD1-CE3 3.92Å; L256-W328 HydrophobicContact CD1-CG 4.47Å; L256-W328 HydrophobicContact CD1-CZ3 4.49Å; V271-W328 WeakPolarHBondContact O-CA 3.38Å; S272-W328 VanDerWaalsContact CB-CZ3 3.42Å; L315-W328 HydrophobicContact CD2-CE3 4.13Å; L315-W328 HydrophobicContact CD2-CH2 4.43Å; L315-W328 HydrophobicContact CD2-CZ3 3.57Å; L324-W328 HydrophobicContact CB-CZ2 4.09Å; L324-W328 HydrophobicContact CD2-CH2 4.26Å; L324-W328 HydrophobicContact CD2-CZ2 3.92Å; L324-W328 PolarHBondContact O-NE1 3Å; W328-P343 CarbonylContact O-C 3.58Å; W328-P343 WeakPolarHBondContact O-CA 3.29Å; W328-I344 PolarHBondContact N-O 3.01Å; W328-I344 PolarHBondContact O-N 2.62Å; W328-I346 HydrophobicContact CB-CD1 4.34Å; W328-I346 HydrophobicContact CD2-CD1 4.45Å; W328-I346 HydrophobicContact CG-CD1 3.85Å; W328-I346 HydrophobicContact CG-CG1 4.3Å
329	L	91.2	Very high	87	Confident	38 Å²	38	35.9 Å²	35.9	20%	0.199	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	159	170.7	61.4	82.2	0	0	0	110	V271 V331 S341 P343	V271-L329 HydrophobicContact CB-CD1 3.7Å; V271-L329 HydrophobicContact CB-CG 4Å; V271-L329 HydrophobicContact CG1-CD1 4.49Å; V271-L329 HydrophobicContact CG2-CD1 3.64Å; V271-L329 HydrophobicContact CG2-CG 4.47Å; V271-L329 PolarHBondContact N-O 2.8Å; V271-L329 PolarHBondContact O-N 2.68Å; L329-V331 HydrophobicContact CD1-CG2 3.35Å; L329-S341 WeakPolarHBondContact CA-OG 3.33Å; L329-S341 WeakPolarHBondContact CB-OG 3.48Å; L329-P343 HydrophobicContact CB-CB 4.41Å; L329-P343 HydrophobicContact CD2-CB 4.34Å
330	C	90.7	Very high	87.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	146.5	165.5	62.8	0	0	0	0	110.6	C258 L268 F269 W270 H340 S341	C258-C330 HydrophobicContact CB-CB 3.65Å; C258-C330 WeakPolarHBondContact CB-SG 3.46Å; C258-C330 WeakPolarHBondContact SG-CB 3.47Å; C258-C330 CovalentContact SG-SG 2.04Å; C258-C330 PolarHBondContact SG-SG 3.29Å; L268-C330 HydrophobicContact CD1-CB 4.15Å; F269-C330 WeakPolarHBondContact O-CA 3.36Å; W270-C330 HydrophobicContact CE3-CB 4.16Å; W270-C330 HydrophobicContact CZ3-CB 4.26Å; C330-H340 WeakPolarHBondContact O-CA 3.46Å; C330-S341 PolarHBondContact N-OG 2.85Å; C330-S341 VanDerWaalsContact N-OG 3.08Å; C330-S341 PolarHBondContact O-N 3.18Å
331	V	91.4	Very high	87.9	Confident	26 Å²	26	40.7 Å²	40.7	16%	0.158	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.2	175.8	-175.2	0	0	0	0	108	F269 V271 L329 T338 S339 H340	F269-V331 HydrophobicContact CB-CB 4.4Å; F269-V331 PolarHBondContact N-O 2.92Å; F269-V331 PolarHBondContact O-N 3.08Å; V271-V331 HydrophobicContact CG2-CG2 3.94Å; L329-V331 HydrophobicContact CD1-CG2 3.35Å; V331-T338 HydrophobicContact CG1-CG2 3.52Å; V331-S339 CarbonylContact C-O 3.43Å; V331-S339 WeakPolarHBondContact CA-O 3.43Å; V331-S339 WeakPolarHBondContact CG1-O 3.3Å; V331-H340 HydrophobicContact CG2-CB 4.16Å
332	A	89.2	Confident	88.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.1	163.1	0	0	0	0	0	107.9	L224 T226 V260 Y266 E267 S339	L224-A332 HydrophobicContact CD1-CB 3.87Å; L224-A332 HydrophobicContact CD2-CB 4.42Å; L224-A332 WeakPolarHBondContact CD2-O 3.44Å; L224-A332 HydrophobicContact CG-CB 4.33Å; T226-A332 HydrophobicContact CG2-CB 3.31Å; V260-A332 HydrophobicContact CG1-CB 3.66Å; V260-A332 HydrophobicContact CG2-CB 4.29Å; Y266-A332 HydrophobicContact CD2-CB 3.93Å; Y266-A332 HydrophobicContact CG-CB 4.27Å; E267-A332 WeakPolarHBondContact O-CA 3.32Å; A332-S339 PolarHBondContact N-O 3.48Å; A332-S339 PolarHBondContact O-N 2.74Å; A332-S339 VanDerWaalsContact O-O 3.09Å
333	H	88.6	Confident	88.4	Confident	39 Å²	39	41.4 Å²	41.4	18%	0.181	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.4	179	172.3	66.3	0	0	0	109.7	V154 D155 Y266 E267 F269 T338	V154-H333 WeakPolarHBondContact CG1-CD2 3.3Å; V154-H333 VanDerWaalsContact CG1-NE2 3.28Å; V154-H333 WeakPolarHBondContact CG1-NE2 3.4Å; D155-H333 IonicContact OD1-NE2 3.77Å; D155-H333 IonicContact OD2-CE1 2.75Å; D155-H333 IonicContact OD2-NE2 3.63Å; D155-H333 PolarHBondContact OD2-NE2 3.48Å; D155-H333 VanDerWaalsContact OD2-NE2 3.11Å; Y266-H333 CarbonylContact C-O 3.57Å; Y266-H333 VanDerWaalsContact CA-O 3.26Å; Y266-H333 WeakPolarHBondContact CA-O 3.41Å; E267-H333 PolarHBondContact N-O 2.88Å; E267-H333 PolarHBondContact O-N 3.48Å; F269-H333 HydrophobicContact CD2-CB 4.45Å; F269-H333 HydrophobicContact CE2-CB 3.97Å; H333-T338 HydrophobicContact CB-CG2 4.25Å; H333-T338 PolarHBondContact ND1-OG1 2.97Å
334	S	86.9	Confident	88.6	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	155	164.2	-165.5	0	0	0	0	109.4	P265 E336 V337	P265-S334 WeakPolarHBondContact O-CB 3.42Å; P265-S334 PolarHBondContact O-OG 2.86Å; S334-E336 PolarHBondContact O-N 2.98Å; S334-V337 CarbonylContact C-O 3.6Å; S334-V337 WeakPolarHBondContact CA-O 3.2Å; S334-V337 PolarHBondContact N-O 3.39Å; S334-V337 CarbonylContact O-C 3.52Å; S334-V337 PolarHBondContact O-N 2.81Å
335	S	80.2	Confident	88.7	Confident	43 Å²	43	41.1 Å²	41.1	30%	0.301	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.2	-177.7	59.2	0	0	0	0	115.6	V154 S178	V154-S335 VanDerWaalsContact CG1-N 3.26Å; S178-S335 WeakPolarHBondContact CB-OG 3.28Å; S178-S335 PolarHBondContact OG-OG 3.47Å
336	E	80.3	Confident	88.7	Confident	44 Å²	44	39 Å²	39	21%	0.206	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-28.9	177.4	-54.1	-167.4	118.7	0	0	113.2	R200 K204 L264 S334	R200-E336 IonicContact CZ-OE2 2.74Å; R200-E336 IonicContact NE-OE1 3.14Å; R200-E336 PolarHBondContact NE-OE1 3.06Å; R200-E336 IonicContact NE-OE2 2.73Å; R200-E336 PolarHBondContact NE-OE2 3.03Å; R200-E336 IonicContact NH2-OE2 2.82Å; R200-E336 PolarHBondContact NH2-OE2 2.7Å; K204-E336 WeakPolarHBondContact CE-OE1 3.47Å; K204-E336 IonicContact NZ-OE1 2.91Å; K204-E336 PolarHBondContact NZ-OE1 2.92Å; L264-E336 HydrophobicContact CD1-CB 4.32Å; S334-E336 PolarHBondContact O-N 2.98Å
337	V	86.9	Confident	88.7	Confident	46 Å²	46	46.4 Å²	46.4	28%	0.279	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	135.6	-170.6	179.6	0	0	0	0	108.9	P222 L224 S334	P222-V337 HydrophobicContact CB-CG2 3.68Å; P222-V337 HydrophobicContact CG-CG2 3.57Å; L224-V337 HydrophobicContact CB-CB 4.46Å; L224-V337 HydrophobicContact CB-CG1 4.13Å; L224-V337 HydrophobicContact CD2-CB 4.29Å; L224-V337 HydrophobicContact CD2-CG1 4.23Å; L224-V337 WeakPolarHBondContact CD2-O 3.44Å; S334-V337 CarbonylContact C-O 3.6Å; S334-V337 WeakPolarHBondContact CA-O 3.2Å; S334-V337 PolarHBondContact N-O 3.39Å; S334-V337 CarbonylContact O-C 3.52Å; S334-V337 PolarHBondContact O-N 2.81Å
338	T	90.8	Very high	88.4	Confident	77 Å²	77	40.1 Å²	40.1	47%	0.472	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.4	167.4	-54.4	0	0	0	0	108.9	V331 H333	V331-T338 HydrophobicContact CG1-CG2 3.52Å; H333-T338 HydrophobicContact CB-CG2 4.25Å; H333-T338 PolarHBondContact ND1-OG1 2.97Å
339	S	91.3	Very high	87.9	Confident	23 Å²	23	41.8 Å²	41.8	16%	0.161	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.7	-179.1	-155.7	0	0	0	0	109.8	L224 T226 V331 A332	L224-S339 WeakPolarHBondContact O-CB 3.3Å; L224-S339 PolarHBondContact O-OG 3.35Å; T226-S339 PolarHBondContact OG1-OG 2.93Å; V331-S339 CarbonylContact C-O 3.43Å; V331-S339 WeakPolarHBondContact CA-O 3.43Å; V331-S339 WeakPolarHBondContact CG1-O 3.3Å; A332-S339 PolarHBondContact N-O 3.48Å; A332-S339 PolarHBondContact O-N 2.74Å; A332-S339 VanDerWaalsContact O-O 3.09Å
340	H	91.7	Very high	87.2	Confident	129 Å²	129	42.4 Å²	42.4	60%	0.597	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.9	-176	59.2	-86.8	0	0	0	110.2	T226 C330 V331	T226-H340 VanDerWaalsContact OG1-CA 3.32Å; T226-H340 WeakPolarHBondContact OG1-CA 3.47Å; T226-H340 PolarHBondContact OG1-N 2.86Å; T226-H340 VanDerWaalsContact OG1-N 3.15Å; T226-H340 PolarHBondContact OG1-O 3.12Å; C330-H340 WeakPolarHBondContact O-CA 3.46Å; V331-H340 HydrophobicContact CG2-CB 4.16Å
341	S	89.8	Confident	86	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-69.8	162	179.2	76.5	0	0	0	0	112	T226 L228 L329 C330	T226-S341 VanDerWaalsContact O-CA 3.31Å; T226-S341 WeakPolarHBondContact O-CA 3.36Å; T226-S341 PolarHBondContact OG1-N 3.29Å; L228-S341 VanDerWaalsContact CB-CB 3.43Å; L228-S341 VanDerWaalsContact CB-OG 3.29Å; L228-S341 WeakPolarHBondContact CB-OG 3.43Å; L329-S341 WeakPolarHBondContact CA-OG 3.33Å; L329-S341 WeakPolarHBondContact CB-OG 3.48Å; C330-S341 PolarHBondContact N-OG 2.85Å; C330-S341 VanDerWaalsContact N-OG 3.08Å; C330-S341 PolarHBondContact O-N 3.18Å
342	T	87.6	Confident	84.5	Confident	61 Å²	61	49.6 Å²	49.6	37%	0.374	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-54.7	139.1	158.2	47.7	0	0	0	0	109.7
343	P	89.7	Confident	82.8	Confident	48 Å²	48	58.6 Å²	58.6	31%	0.312	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-82.6	127.4	-179.5	30.3	-33.1	0	0	0	111.7	W328 L329	W328-P343 CarbonylContact O-C 3.58Å; W328-P343 WeakPolarHBondContact O-CA 3.29Å; L329-P343 HydrophobicContact CB-CB 4.41Å; L329-P343 HydrophobicContact CD2-CB 4.34Å
344	I	87.8	Confident	81.1	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.6	170.6	-59.5	-177.1	0	0	0	108.6	L228 F240 V246 L256 W328 I346	L228-I344 HydrophobicContact CD2-CD1 4.1Å; L228-I344 HydrophobicContact CD2-CG1 4.12Å; L228-I344 HydrophobicContact CG-CD1 3.84Å; L228-I344 HydrophobicContact CG-CG1 4.32Å; F240-I344 HydrophobicContact CB-CD1 4.29Å; F240-I344 HydrophobicContact CB-CG1 4.41Å; F240-I344 HydrophobicContact CD2-CD1 4.37Å; V246-I344 HydrophobicContact CG2-CG2 4.18Å; L256-I344 HydrophobicContact CD2-CD1 4.35Å; W328-I344 PolarHBondContact N-O 3.01Å; W328-I344 PolarHBondContact O-N 2.62Å; I344-I346 HydrophobicContact CG2-CG1 4.06Å
345	N	89	Confident	79.7	Confident	71 Å²	71	63 Å²	63	38%	0.38	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	104.6	178.2	-173	17.7	0	0	0	110.8	S244 S245 V246 G326	S244-N345 PolarHBondContact O-N 2.94Å; S245-N345 CarbonylContact C-O 3.51Å; S245-N345 VanDerWaalsContact CA-O 3.24Å; S245-N345 WeakPolarHBondContact CA-O 3.42Å; V246-N345 PolarHBondContact N-O 2.78Å; G326-N345 PolarHBondContact O-OD1 3.39Å
346	I	88.5	Confident	79	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.9	-175.8	-56.2	-172.2	0	0	0	109.9	I248 L254 L256 S325 G326 W328 I344 V348	I248-I346 HydrophobicContact CG2-CG2 3.87Å; L254-I346 HydrophobicContact CD1-CD1 3.86Å; L254-I346 HydrophobicContact CD2-CD1 3.67Å; L254-I346 HydrophobicContact CD2-CG2 4.44Å; L254-I346 HydrophobicContact CG-CD1 4.38Å; L256-I346 HydrophobicContact CD1-CD1 4.27Å; L256-I346 HydrophobicContact CD2-CD1 4.35Å; S325-I346 CarbonylContact C-O 3.59Å; S325-I346 WeakPolarHBondContact CA-O 3.41Å; S325-I346 PolarHBondContact OG-O 2.97Å; G326-I346 PolarHBondContact N-O 2.76Å; G326-I346 PolarHBondContact O-N 2.83Å; W328-I346 HydrophobicContact CB-CD1 4.34Å; W328-I346 HydrophobicContact CD2-CD1 4.45Å; W328-I346 HydrophobicContact CG-CD1 3.85Å; W328-I346 HydrophobicContact CG-CG1 4.3Å; I344-I346 HydrophobicContact CG2-CG1 4.06Å; I346-V348 HydrophobicContact CG2-CG2 4.15Å
347	R	88.2	Confident	78.5	Confident	175 Å²	175	68.6 Å²	68.6	66%	0.66	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	103.2	173.2	-166.7	177.5	-176.4	-177.8	0.9	110	V246 S247 I248 S325 V349	V246-R347 PolarHBondContact O-N 2.87Å; S247-R347 VanDerWaalsContact CA-O 3.3Å; S247-R347 WeakPolarHBondContact CA-O 3.43Å; I248-R347 PolarHBondContact N-O 2.92Å; S325-R347 VanDerWaalsContact OG-CA 3.32Å; S325-R347 WeakPolarHBondContact OG-CA 3.41Å; R347-V349 HydrophobicContact CG-CG2 4Å; R347-V349 PolarHBondContact O-N 2.85Å
348	V	85.7	Confident	77.8	Confident	16 Å²	16	72.6 Å²	72.6	10%	0.097	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	110.1	176.1	-172.5	0	0	0	0	109	I248 T250 L324 S325 I346	I248-V348 HydrophobicContact CG2-CB 4.41Å; I248-V348 HydrophobicContact CG2-CG1 4.46Å; I248-V348 HydrophobicContact CG2-CG2 3.91Å; I248-V348 CarbonylContact O-C 3.58Å; I248-V348 WeakPolarHBondContact O-CA 3.39Å; T250-V348 HydrophobicContact CG2-CG1 3.8Å; L324-V348 HydrophobicContact CB-CG2 4.41Å; S325-V348 PolarHBondContact OG-N 2.66Å; S325-V348 VanDerWaalsContact OG-N 3.1Å; I346-V348 HydrophobicContact CG2-CG2 4.15Å
349	V	81.4	Confident	77.3	Confident	35 Å²	35	76 Å²	76	21%	0.212	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.6	-175.2	-176.6	0	0	0	0	109.6	I248 F249 T250 R347 S351	I248-V349 PolarHBondContact O-N 3.1Å; F249-V349 CarbonylContact C-O 3.5Å; F249-V349 VanDerWaalsContact CA-O 3.29Å; F249-V349 WeakPolarHBondContact CA-O 3.17Å; T250-V349 PolarHBondContact N-O 2.84Å; R347-V349 HydrophobicContact CG-CG2 4Å; R347-V349 PolarHBondContact O-N 2.85Å; V349-S351 PolarHBondContact O-N 3.09Å
350	S	75.4	Confident	76.9	Confident	51 Å²	51	79.3 Å²	79.3	36%	0.357	39%	0.386	S	S	.	.			trans	-61.1	136.4	172.8	-57.4	0	0	0	0	110.7	L352 Y353	S350-L352 PolarHBondContact O-N 3.39Å; S350-L352 VanDerWaalsContact O-N 3.1Å; S350-Y353 WeakPolarHBondContact O-CB 3.21Å; S350-Y353 PolarHBondContact O-N 2.92Å
351	S	65.9	Low	76.5	Confident	52 Å²	52	76.2 Å²	76.2	36%	0.364	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-52.8	-34.9	174.6	-171.7	0	0	0	0	112.4	T250 V349 Y353 F354	T250-S351 PolarHBondContact OG1-N 3.02Å; V349-S351 PolarHBondContact O-N 3.09Å; S351-Y353 PolarHBondContact O-N 3.15Å; S351-Y353 VanDerWaalsContact O-N 3.09Å; S351-F354 PolarHBondContact O-N 2.89Å
352	L	58.7	Low	76.4	Confident	125 Å²	125	78.8 Å²	78.8	65%	0.654	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-54.1	-23.3	172.4	-65.8	164.6	0	0	0	115	S350	S350-L352 PolarHBondContact O-N 3.39Å; S350-L352 VanDerWaalsContact O-N 3.1Å
353	Y	54.1	Low	76.6	Confident	190 Å²	190	79.7 Å²	79.7	75%	0.745	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-89.6	-5.1	178.7	-102.9	-80.7	0	0	0	113.9	S350 S351 G355	S350-Y353 WeakPolarHBondContact O-CB 3.21Å; S350-Y353 PolarHBondContact O-N 2.92Å; S351-Y353 PolarHBondContact O-N 3.15Å; S351-Y353 VanDerWaalsContact O-N 3.09Å; Y353-G355 PolarHBondContact O-N 3.37Å
354	F	53.6	Low	76.7	Confident	102 Å²	102	86.2 Å²	86.2	45%	0.447	42%	0.42	S	S	.	.	S	Bend	trans	-72.2	111.3	166.2	-152.4	-103.6	0	0	0	107.8	F249 S351 Q356 I357	F249-F354 HydrophobicContact CE1-CB 4.15Å; F249-F354 AromaticContact CE1-CD2 3.98Å; F249-F354 HydrophobicContact CE1-CD2 3.98Å; F249-F354 HydrophobicContact CE1-CG 4.37Å; F249-F354 HydrophobicContact CZ-CB 4.49Å; F249-F354 AromaticContact CZ-CD2 3.69Å; F249-F354 HydrophobicContact CZ-CD2 3.69Å; F249-F354 HydrophobicContact CZ-CE2 4.22Å; F249-F354 HydrophobicContact CZ-CG 4.25Å; S351-F354 PolarHBondContact O-N 2.89Å; F354-Q356 HydrophobicContact CD1-CB 4.24Å; F354-Q356 HydrophobicContact CD1-CG 4.42Å; F354-Q356 HydrophobicContact CE1-CG 4.38Å; F354-Q356 PolarHBondContact O-N 3.03Å; F354-I357 PolarHBondContact O-N 2.74Å
355	G	56.7	Low	76.9	Confident	31 Å²	31	88.1 Å²	88.1	32%	0.32	44%	0.439	S	S	.	.	H	α-helix	trans	-51	-33.2	-164	0	0	0	0	0	114.4	Y353 I357 Y358 Y359	Y353-G355 PolarHBondContact O-N 3.37Å; G355-I357 PolarHBondContact O-N 3.5Å; G355-Y358 PolarHBondContact O-N 3.5Å; G355-Y359 WeakPolarHBondContact O-CB 3Å; G355-Y359 WeakPolarHBondContact O-CD2 3.11Å; G355-Y359 PolarHBondContact O-N 2.88Å
356	Q	65.1	Low	77.2	Confident	129 Å²	129	91.9 Å²	91.9	60%	0.603	45%	0.449	S	S	*	.	H	α-helix	trans	-54.7	-46.8	173.5	-68.6	177.6	-22.1	0	0	113.2	F354 I360	F354-Q356 HydrophobicContact CD1-CB 4.24Å; F354-Q356 HydrophobicContact CD1-CG 4.42Å; F354-Q356 HydrophobicContact CE1-CG 4.38Å; F354-Q356 PolarHBondContact O-N 3.03Å; Q356-I360 HydrophobicContact CB-CD1 4.35Å; Q356-I360 WeakPolarHBondContact O-CB 3.24Å; Q356-I360 WeakPolarHBondContact O-CD1 3.33Å; Q356-I360 WeakPolarHBondContact O-CG1 3.41Å; Q356-I360 PolarHBondContact O-N 3.45Å
357	I	70.7	Confident	77.5	Confident	75 Å²	75	93.6 Å²	93.6	39%	0.385	47%	0.467	S	S	.	.	H	α-helix	trans	-69.1	-41	-178.1	-63.6	176.6	0	0	0	110.7	F354 G355 S361	F354-I357 PolarHBondContact O-N 2.74Å; G355-I357 PolarHBondContact O-N 3.5Å; I357-S361 WeakPolarHBondContact O-CB 3.07Å; I357-S361 PolarHBondContact O-N 3.45Å; I357-S361 PolarHBondContact O-OG 3.36Å
358	Y	71.6	Confident	77.8	Confident	130 Å²	130	86.7 Å²	86.7	51%	0.51	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-53.3	173.4	179.1	-103.8	0	0	0	111.9	G355 I360 S361 L362	G355-Y358 PolarHBondContact O-N 3.5Å; Y358-I360 PolarHBondContact O-N 2.95Å; Y358-S361 PolarHBondContact O-N 2.81Å; Y358-S361 PolarHBondContact O-OG 3.42Å; Y358-L362 HydrophobicContact CE1-CD1 3.85Å; Y358-L362 WeakPolarHBondContact O-CB 3.3Å; Y358-L362 PolarHBondContact O-N 3.27Å
359	Y	81.1	Confident	78.2	Confident	148 Å²	148	91.4 Å²	91.4	58%	0.58	47%	0.473	S	S	*	.	H	α-helix	trans	-65.2	-36.8	178.9	-65.6	-51.9	0	0	0	112.9	G355 L362 C363	G355-Y359 WeakPolarHBondContact O-CB 3Å; G355-Y359 WeakPolarHBondContact O-CD2 3.11Å; G355-Y359 PolarHBondContact O-N 2.88Å; Y359-L362 PolarHBondContact O-N 3.13Å; Y359-C363 VanDerWaalsContact O-CB 3.24Å; Y359-C363 WeakPolarHBondContact O-CB 3.34Å; Y359-C363 PolarHBondContact O-N 2.8Å; Y359-C363 PolarHBondContact O-SG 3.2Å
360	I	83.3	Confident	78.9	Confident	92 Å²	92	94.3 Å²	94.3	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-67.3	-47	177.4	-73.2	165.8	0	0	0	110.8	Q356 Y358 L362 C363 Y364	Q356-I360 HydrophobicContact CB-CD1 4.35Å; Q356-I360 WeakPolarHBondContact O-CB 3.24Å; Q356-I360 WeakPolarHBondContact O-CD1 3.33Å; Q356-I360 WeakPolarHBondContact O-CG1 3.41Å; Q356-I360 PolarHBondContact O-N 3.45Å; Y358-I360 PolarHBondContact O-N 2.95Å; I360-L362 VanDerWaalsContact C-N 3.34Å; I360-L362 PolarHBondContact O-N 2.85Å; I360-C363 PolarHBondContact O-N 3.31Å; I360-Y364 HydrophobicContact CG2-CD2 3.62Å; I360-Y364 HydrophobicContact CG2-CE2 3.37Å; I360-Y364 VanDerWaalsContact O-CD2 3.23Å; I360-Y364 WeakPolarHBondContact O-CD2 3.23Å; I360-Y364 PolarHBondContact O-N 3.46Å
361	S	83.5	Confident	79.8	Confident	64 Å²	64	97.1 Å²	97.1	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-36.6	176.3	56.5	0	0	0	0	112.5	I357 Y358 Y364 G365	I357-S361 WeakPolarHBondContact O-CB 3.07Å; I357-S361 PolarHBondContact O-N 3.45Å; I357-S361 PolarHBondContact O-OG 3.36Å; Y358-S361 PolarHBondContact O-N 2.81Å; Y358-S361 PolarHBondContact O-OG 3.42Å; S361-Y364 PolarHBondContact O-N 2.83Å; S361-G365 PolarHBondContact O-N 2.85Å
362	L	87.5	Confident	81.1	Confident	56 Å²	56	100.5 Å²	100.5	29%	0.293	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-42.3	172.5	-177.6	145.1	0	0	0	111.4	Y358 Y359 I360 G365 Y366	Y358-L362 HydrophobicContact CE1-CD1 3.85Å; Y358-L362 WeakPolarHBondContact O-CB 3.3Å; Y358-L362 PolarHBondContact O-N 3.27Å; Y359-L362 PolarHBondContact O-N 3.13Å; I360-L362 VanDerWaalsContact C-N 3.34Å; I360-L362 PolarHBondContact O-N 2.85Å; L362-G365 PolarHBondContact O-N 2.8Å; L362-Y366 HydrophobicContact CD1-CE2 4.17Å; L362-Y366 HydrophobicContact CD2-CD2 3.59Å; L362-Y366 HydrophobicContact CD2-CE2 3.74Å; L362-Y366 HydrophobicContact CG-CD2 3.74Å; L362-Y366 HydrophobicContact CG-CE2 3.69Å; L362-Y366 VanDerWaalsContact O-CD2 3.3Å; L362-Y366 WeakPolarHBondContact O-CD2 3.36Å; L362-Y366 PolarHBondContact O-N 3.29Å
363	C	91.1	Very high	82.9	Confident	81 Å²	81	99.6 Å²	99.6	55%	0.547	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-40.5	174	-77.1	0	0	0	0	112.7	Y359 I360 G367	Y359-C363 VanDerWaalsContact O-CB 3.24Å; Y359-C363 WeakPolarHBondContact O-CB 3.34Å; Y359-C363 PolarHBondContact O-N 2.8Å; Y359-C363 PolarHBondContact O-SG 3.2Å; I360-C363 PolarHBondContact O-N 3.31Å; C363-G367 WeakPolarHBondContact O-CA 3.41Å; C363-G367 PolarHBondContact O-N 2.84Å
364	Y	91.4	Very high	84.8	Confident	185 Å²	185	94.8 Å²	94.8	73%	0.725	49%	0.492	S	S	*	.	H	α-helix	trans	-67.1	-37.1	172.4	-75.9	-54.7	0	0	0	112.1	I360 S361 G368	I360-Y364 HydrophobicContact CG2-CD2 3.62Å; I360-Y364 HydrophobicContact CG2-CE2 3.37Å; I360-Y364 VanDerWaalsContact O-CD2 3.23Å; I360-Y364 WeakPolarHBondContact O-CD2 3.23Å; I360-Y364 PolarHBondContact O-N 3.46Å; S361-Y364 PolarHBondContact O-N 2.83Å; Y364-G368 PolarHBondContact O-N 2.8Å
365	G	92.6	Very high	86.7	Confident	40 Å²	40	94.1 Å²	94.1	41%	0.412	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-54.8	174.8	0	0	0	0	0	112.4	S361 L362 G368 M369	S361-G365 PolarHBondContact O-N 2.85Å; L362-G365 PolarHBondContact O-N 2.8Å; G365-G368 PolarHBondContact O-N 3.48Å; G365-M369 WeakPolarHBondContact O-CB 3.22Å; G365-M369 WeakPolarHBondContact O-CG 3.28Å; G365-M369 PolarHBondContact O-N 2.88Å
366	Y	94.9	Very high	88.5	Confident	151 Å²	151	94.9 Å²	94.9	59%	0.592	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-39.2	176	-79.3	-66.8	0	0	0	112.4	L362 G368 M369 I370	L362-Y366 HydrophobicContact CD1-CE2 4.17Å; L362-Y366 HydrophobicContact CD2-CD2 3.59Å; L362-Y366 HydrophobicContact CD2-CE2 3.74Å; L362-Y366 HydrophobicContact CG-CD2 3.74Å; L362-Y366 HydrophobicContact CG-CE2 3.69Å; L362-Y366 VanDerWaalsContact O-CD2 3.3Å; L362-Y366 WeakPolarHBondContact O-CD2 3.36Å; L362-Y366 PolarHBondContact O-N 3.29Å; Y366-G368 PolarHBondContact O-N 3.2Å; Y366-M369 PolarHBondContact O-N 3Å; Y366-I370 WeakPolarHBondContact O-CB 3.14Å; Y366-I370 VanDerWaalsContact O-CG1 3.22Å; Y366-I370 WeakPolarHBondContact O-CG1 3.33Å; Y366-I370 PolarHBondContact O-N 3.5Å
367	G	94.8	Very high	89.9	Confident	38 Å²	38	93.5 Å²	93.5	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-42.9	174.5	0	0	0	0	0	112.5	C363 I370 L371	C363-G367 WeakPolarHBondContact O-CA 3.41Å; C363-G367 PolarHBondContact O-N 2.84Å; G367-I370 PolarHBondContact O-N 2.91Å; G367-L371 VanDerWaalsContact O-CB 3.28Å; G367-L371 WeakPolarHBondContact O-CB 3.5Å; G367-L371 PolarHBondContact O-N 3.43Å
368	G	94.7	Very high	90.9	Very high	30 Å²	30	94.4 Å²	94.4	31%	0.309	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-43.2	173	0	0	0	0	0	112.7	Y364 G365 Y366 L371 L372	Y364-G368 PolarHBondContact O-N 2.8Å; G365-G368 PolarHBondContact O-N 3.48Å; Y366-G368 PolarHBondContact O-N 3.2Å; G368-L371 PolarHBondContact O-N 3.36Å; G368-L372 WeakPolarHBondContact O-CB 3.29Å; G368-L372 VanDerWaalsContact O-CG 3.28Å; G368-L372 WeakPolarHBondContact O-CG 3.4Å; G368-L372 PolarHBondContact O-N 2.87Å
369	M	94.4	Very high	91.9	Very high	114 Å²	114	90.1 Å²	90.1	56%	0.562	50%	0.5	S	S	*	.	H	α-helix	trans	-64.1	-42.7	175.4	-73.6	-64.7	-66.5	0	0	112.5	G365 Y366 L372 L373	G365-M369 WeakPolarHBondContact O-CB 3.22Å; G365-M369 WeakPolarHBondContact O-CG 3.28Å; G365-M369 PolarHBondContact O-N 2.88Å; Y366-M369 PolarHBondContact O-N 3Å; M369-L372 PolarHBondContact O-N 3.44Å; M369-L373 WeakPolarHBondContact O-CB 3.36Å; M369-L373 VanDerWaalsContact O-CG 3.29Å; M369-L373 WeakPolarHBondContact O-CG 3.24Å; M369-L373 PolarHBondContact O-N 3.29Å
370	I	95	Very high	92.3	Very high	97 Å²	97	85 Å²	85	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-42.8	175.4	-70.5	164.4	0	0	0	110.3	Y366 G367 L373 L374	Y366-I370 WeakPolarHBondContact O-CB 3.14Å; Y366-I370 VanDerWaalsContact O-CG1 3.22Å; Y366-I370 WeakPolarHBondContact O-CG1 3.33Å; Y366-I370 PolarHBondContact O-N 3.5Å; G367-I370 PolarHBondContact O-N 2.91Å; I370-L373 PolarHBondContact O-N 3.49Å; I370-L374 HydrophobicContact CG2-CD1 3.87Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CB 3.43Å; I370-L374 VanDerWaalsContact O-CG 3.29Å; I370-L374 WeakPolarHBondContact O-CG 3.43Å; I370-L374 PolarHBondContact O-N 3.1Å
371	L	94.3	Very high	92.5	Very high	109 Å²	109	84 Å²	84	57%	0.571	49%	0.49	S	S	*	.	H	α-helix	trans	-63.3	-43.6	176.4	-177.8	62.3	0	0	0	111.8	G367 G368 L374 V375	G367-L371 VanDerWaalsContact O-CB 3.28Å; G367-L371 WeakPolarHBondContact O-CB 3.5Å; G367-L371 PolarHBondContact O-N 3.43Å; G368-L371 PolarHBondContact O-N 3.36Å; L371-L374 PolarHBondContact O-N 3.09Å; L371-V375 HydrophobicContact CD1-CG2 4.42Å; L371-V375 WeakPolarHBondContact O-CB 3.46Å; L371-V375 VanDerWaalsContact O-CG2 3.3Å; L371-V375 WeakPolarHBondContact O-CG2 3.49Å; L371-V375 PolarHBondContact O-N 2.85Å
372	L	94.4	Very high	92.7	Very high	124 Å²	124	86.3 Å²	86.3	65%	0.649	50%	0.496	S	S	*	.	H	α-helix	trans	-65.9	-38.7	176	-72.7	170.6	0	0	0	112.2	G368 M369 G376	G368-L372 WeakPolarHBondContact O-CB 3.29Å; G368-L372 VanDerWaalsContact O-CG 3.28Å; G368-L372 WeakPolarHBondContact O-CG 3.4Å; G368-L372 PolarHBondContact O-N 2.87Å; M369-L372 PolarHBondContact O-N 3.44Å; L372-G376 PolarHBondContact O-N 2.82Å
373	L	95.6	Very high	92.7	Very high	106 Å²	106	91.1 Å²	91.1	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-65.5	-43.7	172.8	-77	169	0	0	0	111.7	M369 I370 G376 I377	M369-L373 WeakPolarHBondContact O-CB 3.36Å; M369-L373 VanDerWaalsContact O-CG 3.29Å; M369-L373 WeakPolarHBondContact O-CG 3.24Å; M369-L373 PolarHBondContact O-N 3.29Å; I370-L373 PolarHBondContact O-N 3.49Å; L373-G376 CarbonylContact O-C 3.45Å; L373-G376 PolarHBondContact O-N 3.39Å; L373-I377 WeakPolarHBondContact O-CB 3.28Å; L373-I377 WeakPolarHBondContact O-CD1 3.31Å; L373-I377 VanDerWaalsContact O-CG1 3.24Å; L373-I377 WeakPolarHBondContact O-CG1 3.5Å; L373-I377 PolarHBondContact O-N 3.38Å
374	L	95	Very high	92.3	Very high	88 Å²	88	94.1 Å²	94.1	46%	0.461	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-43.7	176	-75	171.5	0	0	0	111.6	I370 L371 G376 I377 I378	I370-L374 HydrophobicContact CG2-CD1 3.87Å; I370-L374 HydrophobicContact CG2-CG 4.33Å; I370-L374 WeakPolarHBondContact O-CB 3.43Å; I370-L374 VanDerWaalsContact O-CG 3.29Å; I370-L374 WeakPolarHBondContact O-CG 3.43Å; I370-L374 PolarHBondContact O-N 3.1Å; L371-L374 PolarHBondContact O-N 3.09Å; L374-G376 VanDerWaalsContact C-N 3.31Å; L374-G376 PolarHBondContact O-N 3.11Å; L374-I377 PolarHBondContact O-N 3.37Å; L374-I378 VanDerWaalsContact O-CB 3.28Å; L374-I378 WeakPolarHBondContact O-CB 3.43Å; L374-I378 WeakPolarHBondContact O-CD1 3.44Å; L374-I378 WeakPolarHBondContact O-CG1 3.3Å; L374-I378 PolarHBondContact O-N 3.44Å
375	V	93.9	Very high	91.8	Very high	88 Å²	88	87.5 Å²	87.5	53%	0.533	49%	0.492	S	S	.	.	H	α-helix	trans	-63.3	-37.7	173.6	170.2	0	0	0	0	111.1	L371 G379	L371-V375 HydrophobicContact CD1-CG2 4.42Å; L371-V375 WeakPolarHBondContact O-CB 3.46Å; L371-V375 VanDerWaalsContact O-CG2 3.3Å; L371-V375 WeakPolarHBondContact O-CG2 3.49Å; L371-V375 PolarHBondContact O-N 2.85Å; V375-G379 PolarHBondContact O-N 3.28Å
376	G	92.9	Very high	91.1	Very high	47 Å²	47	89.5 Å²	89.5	49%	0.485	50%	0.499	S	S	.	.	H	α-helix	trans	-64.6	-43.6	173.3	0	0	0	0	0	113.3	L372 L373 L374 G380	L372-G376 PolarHBondContact O-N 2.82Å; L373-G376 CarbonylContact O-C 3.45Å; L373-G376 PolarHBondContact O-N 3.39Å; L374-G376 VanDerWaalsContact C-N 3.31Å; L374-G376 PolarHBondContact O-N 3.11Å; G376-G380 PolarHBondContact O-N 2.98Å
377	I	94.9	Very high	90.2	Very high	101 Å²	101	88 Å²	88	52%	0.518	50%	0.498	S	S	.	.	H	α-helix	trans	-69.1	-42.8	177.2	-69	162.5	0	0	0	110.7	L373 L374 G380 T381	L373-I377 WeakPolarHBondContact O-CB 3.28Å; L373-I377 WeakPolarHBondContact O-CD1 3.31Å; L373-I377 VanDerWaalsContact O-CG1 3.24Å; L373-I377 WeakPolarHBondContact O-CG1 3.5Å; L373-I377 PolarHBondContact O-N 3.38Å; L374-I377 PolarHBondContact O-N 3.37Å; I377-G380 PolarHBondContact O-N 3.01Å; I377-T381 HydrophobicContact CG2-CG2 4.35Å; I377-T381 WeakPolarHBondContact O-CB 3.36Å; I377-T381 VanDerWaalsContact O-CG2 3.3Å; I377-T381 WeakPolarHBondContact O-CG2 3.29Å; I377-T381 PolarHBondContact O-N 2.87Å; I377-T381 PolarHBondContact O-OG1 3.05Å
378	I	92.6	Very high	88.9	Confident	94 Å²	94	89.5 Å²	89.5	48%	0.482	50%	0.499	S	S	.	.	H	α-helix	trans	-66.2	-46.1	176.7	-69.1	165	0	0	0	110.2	L374 G380 T381 I382	L374-I378 VanDerWaalsContact O-CB 3.28Å; L374-I378 WeakPolarHBondContact O-CB 3.43Å; L374-I378 WeakPolarHBondContact O-CD1 3.44Å; L374-I378 WeakPolarHBondContact O-CG1 3.3Å; L374-I378 PolarHBondContact O-N 3.44Å; I378-G380 PolarHBondContact O-N 3.17Å; I378-T381 WeakPolarHBondContact CA-OG1 3.36Å; I378-T381 PolarHBondContact O-N 3.37Å; I378-T381 PolarHBondContact O-OG1 2.88Å; I378-I382 HydrophobicContact CG2-CD1 3.65Å; I378-I382 HydrophobicContact CG2-CG1 4.36Å; I378-I382 VanDerWaalsContact O-CB 3.29Å; I378-I382 WeakPolarHBondContact O-CB 3.28Å; I378-I382 WeakPolarHBondContact O-CG1 3.24Å; I378-I382 PolarHBondContact O-N 2.86Å
379	G	91.6	Very high	87.6	Confident	40 Å²	40	97.1 Å²	97.1	41%	0.412	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-42.5	174	0	0	0	0	0	112.7	V375 R383	V375-G379 PolarHBondContact O-N 3.28Å; G379-R383 VanDerWaalsContact O-CB 3.24Å; G379-R383 WeakPolarHBondContact O-CB 3.39Å; G379-R383 PolarHBondContact O-N 3.47Å
380	G	89.3	Confident	85.9	Confident	40 Å²	40	95 Å²	95	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176.7	0	0	0	0	0	113.3	G376 I377 I378 R383 Y384	G376-G380 PolarHBondContact O-N 2.98Å; I377-G380 PolarHBondContact O-N 3.01Å; I378-G380 PolarHBondContact O-N 3.17Å; G380-R383 PolarHBondContact O-N 3.03Å; G380-Y384 VanDerWaalsContact O-CB 3.26Å; G380-Y384 WeakPolarHBondContact O-CB 3.43Å; G380-Y384 PolarHBondContact O-N 3.22Å
381	T	88.9	Confident	84.1	Confident	71 Å²	71	98.5 Å²	98.5	44%	0.436	53%	0.533	S	S	.	.	H	α-helix	trans	-74.4	-37.8	177.8	50.2	0	0	0	0	112.6	I377 I378 R383 Y384 C385	I377-T381 HydrophobicContact CG2-CG2 4.35Å; I377-T381 WeakPolarHBondContact O-CB 3.36Å; I377-T381 VanDerWaalsContact O-CG2 3.3Å; I377-T381 WeakPolarHBondContact O-CG2 3.29Å; I377-T381 PolarHBondContact O-N 2.87Å; I377-T381 PolarHBondContact O-OG1 3.05Å; I378-T381 WeakPolarHBondContact CA-OG1 3.36Å; I378-T381 PolarHBondContact O-N 3.37Å; I378-T381 PolarHBondContact O-OG1 2.88Å; T381-R383 VanDerWaalsContact C-N 3.32Å; T381-R383 PolarHBondContact O-N 2.81Å; T381-Y384 PolarHBondContact O-N 3.09Å; T381-C385 WeakPolarHBondContact O-CB 3.44Å; T381-C385 PolarHBondContact O-N 3.36Å; T381-C385 PolarHBondContact O-SG 3.35Å
382	I	86.9	Confident	81.7	Confident	112 Å²	112	102 Å²	102	57%	0.574	54%	0.539	S	S	*	.	H	α-helix	trans	-58.8	-47.3	169.3	-72.3	168.7	0	0	0	109.7	I378 C385 S386	I378-I382 HydrophobicContact CG2-CD1 3.65Å; I378-I382 HydrophobicContact CG2-CG1 4.36Å; I378-I382 VanDerWaalsContact O-CB 3.29Å; I378-I382 WeakPolarHBondContact O-CB 3.28Å; I378-I382 WeakPolarHBondContact O-CG1 3.24Å; I378-I382 PolarHBondContact O-N 2.86Å; I382-C385 PolarHBondContact O-N 3.22Å; I382-S386 WeakPolarHBondContact O-CB 3.29Å; I382-S386 PolarHBondContact O-N 3.38Å; I382-S386 PolarHBondContact O-OG 3.25Å
383	R	86.8	Confident	79.4	Confident	158 Å²	158	107.3 Å²	107.3	60%	0.596	55%	0.55	S	S	*	*	H	α-helix	trans	-59.8	-52	176.6	-178.7	175.3	177	-177.5	-4.4	111.5	G379 G380 T381 C385 S386 E387	G379-R383 VanDerWaalsContact O-CB 3.24Å; G379-R383 WeakPolarHBondContact O-CB 3.39Å; G379-R383 PolarHBondContact O-N 3.47Å; G380-R383 PolarHBondContact O-N 3.03Å; T381-R383 VanDerWaalsContact C-N 3.32Å; T381-R383 PolarHBondContact O-N 2.81Å; R383-C385 PolarHBondContact O-N 3.38Å; R383-S386 WeakPolarHBondContact O-CB 3.38Å; R383-S386 PolarHBondContact O-N 2.73Å; R383-S386 PolarHBondContact O-OG 3.45Å; R383-E387 HydrophobicContact CG-CG 4.46Å; R383-E387 IonicContact CZ-OE1 3.99Å; R383-E387 VanDerWaalsContact CZ-OE1 3.3Å; R383-E387 IonicContact NE-OE1 2.65Å; R383-E387 PolarHBondContact NE-OE1 3.37Å; R383-E387 IonicContact NE-OE2 2.69Å; R383-E387 IonicContact NH2-OE1 3.18Å; R383-E387 PolarHBondContact NH2-OE1 3.05Å; R383-E387 WeakPolarHBondContact O-CG 3.29Å; R383-E387 PolarHBondContact O-N 3.06Å
384	Y	83.7	Confident	76.5	Confident	144 Å²	144	114.4 Å²	114.4	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-55.6	-49.9	177.2	178.8	-96.3	0	0	0	111.7	G380 T381 S386 E387 T388	G380-Y384 VanDerWaalsContact O-CB 3.26Å; G380-Y384 WeakPolarHBondContact O-CB 3.43Å; G380-Y384 PolarHBondContact O-N 3.22Å; T381-Y384 PolarHBondContact O-N 3.09Å; Y384-S386 VanDerWaalsContact C-N 3.26Å; Y384-S386 PolarHBondContact O-N 3.07Å; Y384-E387 PolarHBondContact O-N 2.92Å; Y384-T388 HydrophobicContact CD2-CG2 4.17Å; Y384-T388 HydrophobicContact CE1-CG2 4.26Å; Y384-T388 HydrophobicContact CE2-CG2 3.88Å; Y384-T388 HydrophobicContact CG-CG2 4.49Å; Y384-T388 WeakPolarHBondContact O-CB 3.36Å; Y384-T388 WeakPolarHBondContact O-CG2 3.3Å; Y384-T388 PolarHBondContact O-N 3.05Å; Y384-T388 PolarHBondContact O-OG1 3.38Å
385	C	80.8	Confident	73.5	Confident	46 Å²	46	116.8 Å²	116.8	31%	0.311	58%	0.579	S	S	.	*	H	α-helix	trans	-63.6	-28	176.8	-72.7	0	0	0	0	113.4	T381 I382 R383 R389 C390	T381-C385 WeakPolarHBondContact O-CB 3.44Å; T381-C385 PolarHBondContact O-N 3.36Å; T381-C385 PolarHBondContact O-SG 3.35Å; I382-C385 PolarHBondContact O-N 3.22Å; R383-C385 PolarHBondContact O-N 3.38Å; C385-R389 WeakPolarHBondContact O-CA 3.32Å; C385-R389 PolarHBondContact O-N 3.26Å; C385-C390 HydrophobicContact CB-CB 4.22Å; C385-C390 PolarHBondContact O-N 2.77Å
386	S	77.9	Confident	70.6	Confident	82 Å²	82	117.5 Å²	117.5	57%	0.573	59%	0.585	S	S	*	*	H	α-helix	trans	-75.8	-38.8	174.6	78.2	0	0	0	0	112.6	I382 R383 Y384	I382-S386 WeakPolarHBondContact O-CB 3.29Å; I382-S386 PolarHBondContact O-N 3.38Å; I382-S386 PolarHBondContact O-OG 3.25Å; R383-S386 WeakPolarHBondContact O-CB 3.38Å; R383-S386 PolarHBondContact O-N 2.73Å; R383-S386 PolarHBondContact O-OG 3.45Å; Y384-S386 VanDerWaalsContact C-N 3.26Å; Y384-S386 PolarHBondContact O-N 3.07Å
387	E	75.3	Confident	67.6	Low	119 Å²	119	121.2 Å²	121.2	56%	0.556	60%	0.603	S	S	*	*	H	α-helix	trans	-75	-37.1	178.3	-69.5	173.4	170.8	0	0	111	R383 Y384	R383-E387 HydrophobicContact CG-CG 4.46Å; R383-E387 IonicContact CZ-OE1 3.99Å; R383-E387 VanDerWaalsContact CZ-OE1 3.3Å; R383-E387 IonicContact NE-OE1 2.65Å; R383-E387 PolarHBondContact NE-OE1 3.37Å; R383-E387 IonicContact NE-OE2 2.69Å; R383-E387 IonicContact NH2-OE1 3.18Å; R383-E387 PolarHBondContact NH2-OE1 3.05Å; R383-E387 WeakPolarHBondContact O-CG 3.29Å; R383-E387 PolarHBondContact O-N 3.06Å; Y384-E387 PolarHBondContact O-N 2.92Å
388	T	68.5	Low	64.6	Low	69 Å²	69	126.1 Å²	126.1	42%	0.423	62%	0.617	S	S	.	*	H	α-helix	trans	-97.2	-9.7	-178.2	60.8	0	0	0	0	115.2	Y384 C390	Y384-T388 HydrophobicContact CD2-CG2 4.17Å; Y384-T388 HydrophobicContact CE1-CG2 4.26Å; Y384-T388 HydrophobicContact CE2-CG2 3.88Å; Y384-T388 HydrophobicContact CG-CG2 4.49Å; Y384-T388 WeakPolarHBondContact O-CB 3.36Å; Y384-T388 WeakPolarHBondContact O-CG2 3.3Å; Y384-T388 PolarHBondContact O-N 3.05Å; Y384-T388 PolarHBondContact O-OG1 3.38Å; T388-C390 PolarHBondContact OG1-SG 2.75Å
389	R	67.2	Low	61.6	Low	190 Å²	190	125.6 Å²	125.6	72%	0.717	63%	0.627	S	S	*	*			trans	64.5	31.2	177.2	-49.9	176.8	178.3	173.4	-0.3	116.2	C385 L391 R392	C385-R389 WeakPolarHBondContact O-CA 3.32Å; C385-R389 PolarHBondContact O-N 3.26Å; R389-L391 PolarHBondContact O-N 3.15Å; R389-R392 PolarHBondContact O-N 3.41Å
390	C	58.8	Low	58.8	Low	71 Å²	71	133.3 Å²	133.3	48%	0.48	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.5	-21.9	-172.8	-67.6	0	0	0	0	117.8	C385 T388	C385-C390 HydrophobicContact CB-CB 4.22Å; C385-C390 PolarHBondContact O-N 2.77Å; T388-C390 PolarHBondContact OG1-SG 2.75Å
391	L	58.2	Low	56.1	Low	170 Å²	170	140.8 Å²	140.8	89%	0.89	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	11.3	-172.9	-74.6	169.1	0	0	0	115.4	R389	R389-L391 PolarHBondContact O-N 3.15Å
392	R	43.6	Very low	53.5	Low	181 Å²	181	139.8 Å²	139.8	68%	0.683	67%	0.674	S	S	*	*	S	Bend	trans	-87.1	136.6	163.6	-77.2	-171.2	176.2	-174	-0.1	110.8	R389	R389-R392 PolarHBondContact O-N 3.41Å
393	R	44.7	Very low	51.3	Low	236 Å²	236	139 Å²	139	89%	0.891	67%	0.666	S	S	*	*			trans	-47.2	148.2	167.3	-69.9	178.7	173.9	174.7	-3.2	110.1	Q395	R393-Q395 PolarHBondContact O-N 3.04Å
394	R	34.8	Very low	49.3	Very low	255 Å²	255	134.4 Å²	134.4	96%	0.962	66%	0.656	S	S	*	*			trans	-40.4	103.7	168.5	-88.4	-177.6	168	173.1	-4.7	110
395	Q	32.2	Very low	47.8	Very low	139 Å²	139	131.2 Å²	131.2	65%	0.65	64%	0.644	S	S	*	*			trans	-76.6	141.5	160.7	-66.8	-169.6	-122.2	0	0	106.8	R393	R393-Q395 PolarHBondContact O-N 3.04Å
396	P	34.1	Very low	46.4	Very low	102 Å²	102	129.8 Å²	129.8	66%	0.662	63%	0.634	S	S	*	*			trans	-62	156.1	173.3	28.6	-35.3	0	0	0	110.1	Y398	P396-Y398 PolarHBondContact O-N 3.24Å
397	S	29.9	Very low	45.3	Very low	125 Å²	125	127.4 Å²	127.4	87%	0.874	62%	0.622	S	S	*	*	S	Bend	trans	-70.7	56.8	-176.8	-51.4	0	0	0	0	113.5
398	Y	30.1	Very low	44.3	Very low	204 Å²	204	122.5 Å²	122.5	80%	0.8	60%	0.6	S	S	*	*			trans	-138	154	-178.2	-80.2	-84	0	0	0	111.1	P396	P396-Y398 PolarHBondContact O-N 3.24Å
399	A	30.7	Very low	43.5	Very low	84 Å²	84	123 Å²	123	69%	0.694	60%	0.599	S	S	*	*			trans	63.6	58	-177.2	0	0	0	0	0	115.1	K401	A399-K401 HydrophobicContact CB-CG 4.43Å; A399-K401 PolarHBondContact O-N 3.47Å
400	F	31.9	Very low	42.6	Very low	202 Å²	202	116.7 Å²	116.7	89%	0.886	58%	0.583	S	S	*	*				-57.2	87	128.3	-133.4	-84.1	0	0	0	106.6	G402	F400-G402 PolarHBondContact O-N 3.22Å
401	K	34.1	Very low	41.9	Very low	197 Å²	197	116.3 Å²	116.3	86%	0.857	58%	0.578	S	S	*	*			trans	-69.5	87.1	168.8	-96.1	-167.9	173.3	-172.2	0	106.2	A399 K403	A399-K401 HydrophobicContact CB-CG 4.43Å; A399-K401 PolarHBondContact O-N 3.47Å; K401-K403 PolarHBondContact O-N 3.24Å
402	G	32.8	Very low	41	Very low	50 Å²	50	113.2 Å²	113.2	52%	0.515	57%	0.568	S	S	.	*			trans	-59.5	104.2	-166	0	0	0	0	0	112.1	F400 T404	F400-G402 PolarHBondContact O-N 3.22Å; G402-T404 VanDerWaalsContact C-N 3.26Å; G402-T404 PolarHBondContact O-N 3.47Å; G402-T404 VanDerWaalsContact O-N 3.1Å
403	K	42.1	Very low	40.7	Very low	94 Å²	94	111.5 Å²	111.5	41%	0.409	57%	0.568	S	S	.	*			trans	-63.1	100.9	141.9	-72.5	-173.3	177.4	-176.5	0	105	K401 Y405 I653 E657	K401-K403 PolarHBondContact O-N 3.24Å; K403-Y405 HydrophobicContact CB-CD2 4.31Å; K403-Y405 HydrophobicContact CB-CE2 3.7Å; K403-Y405 HydrophobicContact CD-CE2 4.33Å; K403-Y405 WeakPolarHBondContact CD-OH 3.28Å; K403-Y405 VanDerWaalsContact O-CD2 3.26Å; K403-Y405 WeakPolarHBondContact O-CD2 3.18Å; K403-Y405 PolarHBondContact O-N 3.09Å; K403-I653 HydrophobicContact CD-CD1 4.43Å; K403-I653 HydrophobicContact CD-CG2 4.49Å; K403-E657 IonicContact NZ-OE1 3.98Å; K403-E657 PolarHBondContact NZ-OE1 2.84Å
404	T	44.9	Very low	40.3	Very low	62 Å²	62	106.4 Å²	106.4	38%	0.38	56%	0.563	S	S	.	*			trans	-63.4	118.7	172.3	29.4	0	0	0	0	108.3	G402 N606 L609	G402-T404 VanDerWaalsContact C-N 3.26Å; G402-T404 PolarHBondContact O-N 3.47Å; G402-T404 VanDerWaalsContact O-N 3.1Å; T404-N606 HydrophobicContact CG2-CB 4.07Å; T404-L609 HydrophobicContact CG2-CD2 3.77Å
405	Y	51.3	Low	40.1	Very low	78 Å²	78	103 Å²	103	31%	0.306	56%	0.558	S	S	.	*			trans	-110.3	121.6	171.9	-65.3	-70.9	0	0	0	108	K403 S605	K403-Y405 HydrophobicContact CB-CD2 4.31Å; K403-Y405 HydrophobicContact CB-CE2 3.7Å; K403-Y405 HydrophobicContact CD-CE2 4.33Å; K403-Y405 WeakPolarHBondContact CD-OH 3.28Å; K403-Y405 VanDerWaalsContact O-CD2 3.26Å; K403-Y405 WeakPolarHBondContact O-CD2 3.18Å; K403-Y405 PolarHBondContact O-N 3.09Å; Y405-S605 PolarHBondContact N-OG 2.73Å; Y405-S605 VanDerWaalsContact N-OG 3.08Å; Y405-S605 PolarHBondContact O-N 3.3Å; Y405-S605 VanDerWaalsContact O-N 3.17Å
406	V	52.5	Low	39.8	Very low	16 Å²	16	106.4 Å²	106.4	10%	0.097	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.4	101.6	160.2	-179.2	0	0	0	0	105.6	L602 V603 L609 Y613 D646 V647	V406-L602 HydrophobicContact CG1-CD2 4.21Å; V406-V603 WeakPolarHBondContact CA-O 3.47Å; V406-L609 HydrophobicContact CG2-CD2 3.98Å; V406-Y613 HydrophobicContact CG2-CE2 4.29Å; V406-D646 HydrophobicContact CG2-CB 4.26Å; V406-V647 HydrophobicContact CB-CG2 3.99Å; V406-V647 HydrophobicContact CG1-CG2 3.86Å
407	G	53.7	Low	39.4	Very low	31 Å²	31	105.8 Å²	105.8	32%	0.32	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.7	127.7	169.6	0	0	0	0	0	108.7	V603	G407-V603 PolarHBondContact N-O 2.64Å; G407-V603 WeakPolarHBondContact O-CB 3.46Å; G407-V603 PolarHBondContact O-N 3.3Å
408	V	53.4	Low	39.2	Very low	16 Å²	16	108.6 Å²	108.6	10%	0.097	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.1	119.1	170.3	-168	0	0	0	0	107.5	V600 L602 V647 L704	V408-V600 HydrophobicContact CG1-CG1 3.57Å; V408-L602 HydrophobicContact CG1-CD2 4.31Å; V408-L602 HydrophobicContact CG2-CD2 3.94Å; V408-V647 HydrophobicContact CG2-CG2 4.14Å; V408-L704 HydrophobicContact CG1-CD1 3.73Å; V408-L704 HydrophobicContact CG1-CD2 4.05Å; V408-L704 HydrophobicContact CG1-CG 4.47Å
409	I	52.5	Low	39	Very low	80 Å²	80	106.9 Å²	106.9	41%	0.41	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.2	114.7	175.3	-56	-177	0	0	0	107.3	V411 K601 V603	I409-V411 PolarHBondContact O-N 3.01Å; I409-K601 HydrophobicContact CB-CB 4.31Å; I409-K601 PolarHBondContact N-O 2.97Å; I409-K601 WeakPolarHBondContact O-CB 3.36Å; I409-K601 PolarHBondContact O-N 3.04Å; I409-V603 HydrophobicContact CD1-CG2 3.74Å; I409-V603 HydrophobicContact CG1-CG2 4.01Å
410	P	48.9	Very low	38.8	Very low	57 Å²	57	108 Å²	108	37%	0.37	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.9	126.5	163.6	29.8	-33	0	0	0	107.8	P412 A598	P410-P412 WeakPolarHBondContact O-CD 3.39Å; P410-A598 HydrophobicContact CB-CB 4.35Å
411	V	42.8	Very low	38.6	Very low	64 Å²	64	106.6 Å²	106.6	39%	0.388	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-73.7	118.8	174.3	-176.5	0	0	0	0	107.6	I409 D599 K601	I409-V411 PolarHBondContact O-N 3.01Å; V411-D599 HydrophobicContact CB-CB 4.35Å; V411-D599 HydrophobicContact CG2-CB 4.33Å; V411-D599 PolarHBondContact N-O 3.38Å; V411-K601 HydrophobicContact CG2-CB 4.11Å
412	P	40.4	Very low	38.2	Very low	105 Å²	105	104 Å²	104	68%	0.682	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-68.9	141.9	173.6	29.8	-33.7	0	0	0	109.5	P410	P410-P412 WeakPolarHBondContact O-CD 3.39Å
413	E	37.6	Very low	37.9	Very low	144 Å²	144	110.7 Å²	110.7	67%	0.673	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-58.1	141.2	173.4	-72.3	178.8	107.3	0	0	110.6	E415	E413-E415 PolarHBondContact O-N 2.76Å; E413-E415 VanDerWaalsContact O-N 3.09Å
414	V	35.4	Very low	37.1	Very low	130 Å²	130	116.3 Å²	116.3	79%	0.788	61%	0.611	S	S	*	*			trans	-78.1	95.1	172.1	-178.9	0	0	0	0	107.4	F416	V414-F416 PolarHBondContact O-N 2.83Å; V414-F416 VanDerWaalsContact O-N 3.1Å
415	E	30.2	Very low	36.3	Very low	184 Å²	184	119 Å²	119	86%	0.86	63%	0.627	S	S	*	*			trans	-54.5	115.9	171.6	-69.5	-175.1	147	0	0	109.6	E413 A417	E413-E415 PolarHBondContact O-N 2.76Å; E413-E415 VanDerWaalsContact O-N 3.09Å; E415-A417 PolarHBondContact O-N 3.05Å
416	F	27.1	Very low	35.1	Very low	209 Å²	209	119.2 Å²	119.2	92%	0.917	65%	0.645	S	S	*	*			trans	-63.9	131.5	168.5	-92.3	-100.2	0	0	0	108.9	V414	V414-F416 PolarHBondContact O-N 2.83Å; V414-F416 VanDerWaalsContact O-N 3.1Å
417	A	26	Very low	34	Very low	90 Å²	90	127.5 Å²	127.5	74%	0.744	68%	0.683	S	S	*	*	S	Bend	trans	-69	149.4	-171.2	0	0	0	0	0	113.1	E415	E415-A417 PolarHBondContact O-N 3.05Å
418	E	25.1	Very low	32.7	Very low	183 Å²	183	135 Å²	135	86%	0.855	71%	0.707	S	S	*	*			trans	59.3	89.4	162.9	-60	-173.5	163.5	0	0	117.6
419	I	26.4	Very low	31.5	Very low	169 Å²	169	143.4 Å²	143.4	87%	0.867	74%	0.742	S	S	*	*			trans	-164.4	156.5	131.4	-100.1	149.5	0	0	0	109.5
420	S	26.9	Very low	30.2	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	76%	0.758	S	S	*	*			trans	67.5	93.3	-178.6	71.7	0	0	0	0	116.6
421	Q	26.1	Very low	29	Very low	172 Å²	172	151.5 Å²	151.5	80%	0.804	78%	0.781	S	S	*	*			trans	-63.8	164.4	146.3	-64.4	175.6	-10.1	0	0	109.8
422	N	26.7	Very low	28.3	Very low	142 Å²	142	153.7 Å²	153.7	76%	0.759	79%	0.79	S	S	*	*			trans	75.8	53.2	164.4	-55	-34.1	0	0	0	119.1
423	F	27	Very low	27.6	Very low	190 Å²	190	154.3 Å²	154.3	83%	0.833	79%	0.794	S	S	*	*			trans	-125.6	97.7	143.5	-96	-81.8	0	0	0	112.3	T425	F423-T425 VanDerWaalsContact C-N 3.28Å; F423-T425 PolarHBondContact O-N 3.12Å
424	K	24	Very low	27.2	Very low	213 Å²	213	154.1 Å²	154.1	93%	0.926	80%	0.797	S	S	*	*			trans	-83.8	74.4	163.5	-81.1	-176.1	175.7	173.8	0	109.2	A426	K424-A426 PolarHBondContact O-N 3.2Å
425	T	28.1	Very low	26.9	Very low	118 Å²	118	158 Å²	158	72%	0.724	80%	0.797	S	S	*	*			trans	-70.7	98.4	-179.3	-30.4	0	0	0	0	110	F423 E427	F423-T425 VanDerWaalsContact C-N 3.28Å; F423-T425 PolarHBondContact O-N 3.12Å; T425-E427 PolarHBondContact O-N 3.18Å
426	A	27.4	Very low	26.8	Very low	82 Å²	82	156.7 Å²	156.7	68%	0.678	80%	0.796	S	S	*	*			trans	-72.2	125.5	169.6	0	0	0	0	0	109.2	K424 K428	K424-A426 PolarHBondContact O-N 3.2Å; A426-K428 PolarHBondContact O-N 3.19Å
427	E	28	Very low	26.8	Very low	191 Å²	191	152.7 Å²	152.7	89%	0.893	79%	0.794	S	S	*	*			trans	-68.3	70.5	172.4	-73.7	-161.4	113.2	0	0	112	T425 K429	T425-E427 PolarHBondContact O-N 3.18Å; E427-K429 PolarHBondContact O-N 3.28Å
428	K	26.9	Very low	27	Very low	189 Å²	189	151.7 Å²	151.7	82%	0.822	79%	0.793	S	S	*	*			trans	-74	109.4	150.1	-78.5	-174.4	176.1	-179.8	0	106.9	A426 L430	A426-K428 PolarHBondContact O-N 3.19Å; K428-L430 PolarHBondContact O-N 3.11Å
429	K	27.4	Very low	27.3	Very low	191 Å²	191	151.4 Å²	151.4	83%	0.83	78%	0.784	S	S	*	*			trans	-60	104.6	163.3	-83.2	-166.7	170.5	-170.4	0	108.5	E427 L431	E427-K429 PolarHBondContact O-N 3.28Å; K429-L431 PolarHBondContact O-N 3.49Å
430	L	25.3	Very low	27.8	Very low	142 Å²	142	147.8 Å²	147.8	74%	0.743	77%	0.77	S	S	*	*			trans	-73.9	96.1	-179.9	-163.5	74.2	0	0	0	108.5	K428 I432	K428-L430 PolarHBondContact O-N 3.11Å; L430-I432 VanDerWaalsContact C-N 3.3Å; L430-I432 HydrophobicContact CD2-CD1 4.16Å; L430-I432 HydrophobicContact CD2-CG1 3.8Å; L430-I432 HydrophobicContact CG-CG1 4.01Å; L430-I432 PolarHBondContact O-N 3.31Å
431	L	25	Very low	28.8	Very low	166 Å²	166	145 Å²	145	87%	0.869	74%	0.743	S	S	*	*			trans	-68.1	94.6	161.9	-91.2	151.8	0	0	0	107.2	K429 P433	K429-L431 PolarHBondContact O-N 3.49Å; L431-P433 VanDerWaalsContact O-CD 3.28Å; L431-P433 WeakPolarHBondContact O-CD 3.32Å
432	I	27.3	Very low	29.7	Very low	110 Å²	110	143 Å²	143	56%	0.564	74%	0.738	S	S	*	*			trans	-75.2	114.6	167	-59.6	173.1	0	0	0	106.6	L430 L434	L430-I432 VanDerWaalsContact C-N 3.3Å; L430-I432 HydrophobicContact CD2-CD1 4.16Å; L430-I432 HydrophobicContact CD2-CG1 3.8Å; L430-I432 HydrophobicContact CG-CG1 4.01Å; L430-I432 PolarHBondContact O-N 3.31Å; I432-L434 PolarHBondContact O-N 2.8Å
433	P	25.5	Very low	30.6	Very low	118 Å²	118	146.5 Å²	146.5	77%	0.766	74%	0.74	S	S	*	*			trans	-79.8	97.4	170.1	32.4	-28.6	0	0	0	107.9	L431 R435	L431-P433 VanDerWaalsContact O-CD 3.28Å; L431-P433 WeakPolarHBondContact O-CD 3.32Å; P433-R435 PolarHBondContact O-N 2.83Å
434	L	29.1	Very low	31.8	Very low	140 Å²	140	140.9 Å²	140.9	73%	0.733	71%	0.714	S	S	*	*			trans	-55	126.4	164.6	-82.3	165.9	0	0	0	108.4	I432	I432-L434 PolarHBondContact O-N 2.8Å
435	R	28.8	Very low	33.6	Very low	211 Å²	211	131.2 Å²	131.2	80%	0.796	67%	0.672	S	S	*	*	S	Bend	trans	-82	139.7	-177.6	-156.4	176.7	-169	173.6	3	108.6	P433	P433-R435 PolarHBondContact O-N 2.83Å
436	D	30	Very low	34.8	Very low	156 Å²	156	127 Å²	127	83%	0.834	65%	0.653	S	S	*	*	S	Bend	trans	63.5	123.1	-174.2	-62.4	-33.1	0	0	0	116.9
437	S	26.3	Very low	35.9	Very low	126 Å²	126	127.8 Å²	127.8	88%	0.881	65%	0.651	S	S	*	*	S	Bend	trans	-92	132.2	-173.1	55.8	0	0	0	0	112.4
438	G	29.9	Very low	37.2	Very low	69 Å²	69	121.2 Å²	121.2	71%	0.711	63%	0.625	S	S	*	*			trans	160	-39.5	161.3	0	0	0	0	0	114.4	T440	G438-T440 PolarHBondContact O-N 3.45Å
439	W	32.2	Very low	38.9	Very low	177 Å²	177	112.4 Å²	112.4	67%	0.67	59%	0.587	S	S	*	*			trans	-95.9	97.6	-173.3	-62.5	86.7	0	0	0	110.7	Y444	W439-Y444 HydrophobicContact CE3-CE2 4.36Å; W439-Y444 HydrophobicContact CZ3-CE2 4.13Å
440	T	35.4	Very low	41	Very low	93 Å²	93	105.8 Å²	105.8	57%	0.571	56%	0.559	S	S	*	*			trans	-94.4	121.5	162.3	49.4	0	0	0	0	108.6	G438 N442 R443	G438-T440 PolarHBondContact O-N 3.45Å; T440-N442 PolarHBondContact O-N 3.23Å; T440-R443 PolarHBondContact O-N 2.83Å
441	Y	48.2	Very low	43.5	Very low	50 Å²	50	99.3 Å²	99.3	20%	0.196	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-55.4	-21.2	178.4	-68.8	-67.1	0	0	0	113.1	R443 Y444 F445 I465 E467 V553 L566	Y441-R443 PolarHBondContact O-N 2.7Å; Y441-Y444 PolarHBondContact O-N 3.46Å; Y441-F445 HydrophobicContact CD1-CE2 4.43Å; Y441-F445 WeakPolarHBondContact O-CD2 3.28Å; Y441-F445 PolarHBondContact O-N 2.79Å; Y441-I465 HydrophobicContact CD1-CG2 4.4Å; Y441-I465 HydrophobicContact CD2-CG2 4.23Å; Y441-I465 HydrophobicContact CG-CG2 4.05Å; Y441-E467 HydrophobicContact CE2-CG 4.41Å; Y441-E467 WeakPolarHBondContact CE2-OE1 3.26Å; Y441-E467 VanDerWaalsContact OH-CG 3.32Å; Y441-E467 WeakPolarHBondContact OH-CG 3.24Å; Y441-E467 PolarHBondContact OH-OE1 3.22Å; Y441-V553 HydrophobicContact CD1-CG1 4.22Å; Y441-V553 HydrophobicContact CE1-CG1 3.51Å; Y441-L566 HydrophobicContact CD1-CD1 4.39Å; Y441-L566 HydrophobicContact CE1-CD1 4.25Å
442	N	44.6	Very low	46	Very low	130 Å²	130	97.1 Å²	97.1	70%	0.695	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-46.2	-22.5	166.3	-68.3	-9.3	0	0	0	116	T440 Y444	T440-N442 PolarHBondContact O-N 3.23Å; N442-Y444 VanDerWaalsContact C-N 3.33Å
443	R	46.5	Very low	48.1	Very low	215 Å²	215	92.7 Å²	92.7	81%	0.811	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-74	-24.5	175.6	177.4	173.1	-89.7	-173.4	-5.5	112.9	T440 Y441	T440-R443 PolarHBondContact O-N 2.83Å; Y441-R443 PolarHBondContact O-N 2.7Å
444	Y	51.8	Low	50.1	Low	72 Å²	72	93.2 Å²	93.2	28%	0.282	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-46.4	178.7	-64.7	-83.6	0	0	0	110.7	W439 Y441 N442 L485 L566	W439-Y444 HydrophobicContact CE3-CE2 4.36Å; W439-Y444 HydrophobicContact CZ3-CE2 4.13Å; Y441-Y444 PolarHBondContact O-N 3.46Å; N442-Y444 VanDerWaalsContact C-N 3.33Å; Y444-L485 HydrophobicContact CD1-CD2 4.25Å; Y444-L485 VanDerWaalsContact O-CD2 3.26Å; Y444-L485 WeakPolarHBondContact O-CD2 3.44Å; Y444-L566 HydrophobicContact CD1-CD2 3.9Å; Y444-L566 HydrophobicContact CD2-CD1 4.38Å; Y444-L566 HydrophobicContact CD2-CD2 4.41Å; Y444-L566 HydrophobicContact CE1-CD2 4.46Å; Y444-L566 HydrophobicContact CG-CD2 3.87Å
445	F	61.9	Low	51.5	Low	9 Å²	9	94 Å²	94	4%	0.039	49%	0.485	C	S	.	.			trans	-97.8	102.9	-176	-58	-84.4	0	0	0	110.2	Y441 T449 I465 I491 V553 V555 V564 L566	Y441-F445 HydrophobicContact CD1-CE2 4.43Å; Y441-F445 WeakPolarHBondContact O-CD2 3.28Å; Y441-F445 PolarHBondContact O-N 2.79Å; F445-T449 HydrophobicContact CD1-CG2 3.65Å; F445-T449 HydrophobicContact CE1-CG2 4.33Å; F445-I465 HydrophobicContact CB-CD1 3.44Å; F445-I465 VanDerWaalsContact CB-CD1 3.44Å; F445-I465 HydrophobicContact CD1-CD1 4.4Å; F445-I465 HydrophobicContact CD2-CD1 3.72Å; F445-I465 HydrophobicContact CG-CD1 3.58Å; F445-I465 HydrophobicContact CG-CG1 4.35Å; F445-I491 HydrophobicContact CE1-CD1 4.36Å; F445-V553 HydrophobicContact CE2-CG2 3.76Å; F445-V553 HydrophobicContact CZ-CG2 3.67Å; F445-V555 HydrophobicContact CD1-CG2 3.91Å; F445-V555 HydrophobicContact CE1-CG2 3.4Å; F445-V555 VanDerWaalsContact CE1-CG2 3.4Å; F445-V555 HydrophobicContact CZ-CG2 3.9Å; F445-V564 HydrophobicContact CE1-CB 4.24Å; F445-V564 HydrophobicContact CE1-CG1 4.13Å; F445-V564 HydrophobicContact CE1-CG2 4.11Å; F445-V564 HydrophobicContact CZ-CB 3.97Å; F445-V564 HydrophobicContact CZ-CG1 3.9Å; F445-V564 HydrophobicContact CZ-CG2 4.31Å; F445-L566 HydrophobicContact CE2-CD1 4.4Å; F445-L566 HydrophobicContact CE2-CD2 3.9Å; F445-L566 HydrophobicContact CZ-CD2 3.94Å
446	G	52.9	Low	53.2	Low	31 Å²	31	86.7 Å²	86.7	32%	0.32	47%	0.465	S	S	.	.			trans	-88.2	173.4	174.6	0	0	0	0	0	112.7	C448 T449	G446-C448 PolarHBondContact O-N 2.69Å; G446-C448 VanDerWaalsContact O-N 3.11Å; G446-T449 PolarHBondContact N-OG1 3.22Å; G446-T449 WeakPolarHBondContact O-CB 3.35Å; G446-T449 PolarHBondContact O-N 3.3Å; G446-T449 PolarHBondContact O-OG1 2.88Å
447	P	51.7	Low	54.9	Low	98 Å²	98	86.8 Å²	86.8	64%	0.636	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.2	177.1	30.9	-37.1	0	0	0	114.1
448	C	54	Low	56.2	Low	52 Å²	52	84 Å²	84	35%	0.351	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	0.3	173.1	-58	0	0	0	0	112.4	G446 H450 R633	G446-C448 PolarHBondContact O-N 2.69Å; G446-C448 VanDerWaalsContact O-N 3.11Å; C448-H450 PolarHBondContact O-N 3.24Å; C448-H450 PolarHBondContact O-ND1 3.19Å; C448-R633 PolarHBondContact SG-NH2 2.76Å; C448-R633 VanDerWaalsContact SG-NH2 3.44Å
449	T	63.8	Low	57.9	Low	5 Å²	5	84.4 Å²	84.4	3%	0.031	43%	0.427	C	S	.	.			trans	-72.7	122.5	-173.8	-63.9	0	0	0	0	110.6	F445 G446 A462 L485 G489 I491	F445-T449 HydrophobicContact CD1-CG2 3.65Å; F445-T449 HydrophobicContact CE1-CG2 4.33Å; G446-T449 PolarHBondContact N-OG1 3.22Å; G446-T449 WeakPolarHBondContact O-CB 3.35Å; G446-T449 PolarHBondContact O-N 3.3Å; G446-T449 PolarHBondContact O-OG1 2.88Å; T449-A462 PolarHBondContact O-N 3.38Å; T449-L485 HydrophobicContact CG2-CD1 3.84Å; T449-G489 VanDerWaalsContact CA-O 3.22Å; T449-G489 WeakPolarHBondContact CA-O 3.37Å; T449-G489 WeakPolarHBondContact CG2-O 3.26Å; T449-I491 HydrophobicContact CG2-CD1 3.92Å; T449-I491 HydrophobicContact CG2-CG1 4Å
450	H	71.3	Confident	59.4	Low	52 Å²	52	76.4 Å²	76.4	24%	0.241	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	164.6	-165.9	67.7	-75.7	0	0	0	112.2	C448 V459 H460 F461 G489 E490 I491	C448-H450 PolarHBondContact O-N 3.24Å; C448-H450 PolarHBondContact O-ND1 3.19Å; H450-V459 HydrophobicContact CB-CG1 3.95Å; H450-H460 CarbonylContact C-O 3.42Å; H450-H460 WeakPolarHBondContact CA-O 3.4Å; H450-H460 VanDerWaalsContact CB-O 3.31Å; H450-H460 WeakPolarHBondContact CB-O 3.18Å; H450-F461 HydrophobicContact CB-CD1 3.8Å; H450-F461 HydrophobicContact CB-CE1 3.94Å; H450-F461 HydrophobicContact CB-CG 4.43Å; H450-G489 PolarHBondContact N-O 3.42Å; H450-E490 CarbonylContact O-C 3.57Å; H450-I491 PolarHBondContact O-N 3.17Å
451	W	78	Confident	60.7	Low	5 Å²	5	77.5 Å²	77.5	2%	0.019	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.7	170.8	80	102.2	0	0	0	111	V459 H460 I491 V555 C560 I562	W451-V459 WeakPolarHBondContact O-CA 3.35Å; W451-H460 HydrophobicContact CD2-CB 3.69Å; W451-H460 HydrophobicContact CE3-CB 3.59Å; W451-H460 HydrophobicContact CH2-CB 3.63Å; W451-H460 HydrophobicContact CZ2-CB 3.7Å; W451-H460 HydrophobicContact CZ3-CB 3.55Å; W451-H460 PolarHBondContact N-O 2.59Å; W451-H460 PolarHBondContact O-N 3.01Å; W451-I491 HydrophobicContact CB-CB 3.94Å; W451-I491 HydrophobicContact CB-CD1 4.49Å; W451-I491 HydrophobicContact CE3-CD1 4.3Å; W451-V555 HydrophobicContact CE3-CG1 4.35Å; W451-V555 HydrophobicContact CH2-CG1 4.29Å; W451-V555 HydrophobicContact CZ3-CG1 3.7Å; W451-C560 HydrophobicContact CZ2-CB 3.79Å; W451-I562 HydrophobicContact CD2-CG2 3.82Å; W451-I562 HydrophobicContact CE3-CG2 4.12Å; W451-I562 HydrophobicContact CG-CD1 4.28Å; W451-I562 HydrophobicContact CG-CG2 4.23Å; W451-I562 HydrophobicContact CH2-CG2 4.29Å; W451-I562 HydrophobicContact CZ2-CG2 4.03Å; W451-I562 HydrophobicContact CZ3-CG2 4.36Å
452	K	77.3	Confident	61.3	Low	121 Å²	121	76.7 Å²	76.7	53%	0.526	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.5	166.8	-171	171.7	-177	174.9	0	109.2
453	C	71	Confident	62.1	Low	16 Å²	16	75.3 Å²	75.3	11%	0.108	39%	0.387	C	S	.	.			trans	-90.9	113.4	177.7	-174.1	0	0	0	0	110.8	M455 C456 E457 T458	C453-M455 PolarHBondContact O-N 2.7Å; C453-C456 PolarHBondContact O-N 2.8Å; C453-C456 VanDerWaalsContact SG-SG 3.62Å; C453-E457 WeakPolarHBondContact O-CA 3.4Å; C453-E457 PolarHBondContact O-N 3.26Å; C453-T458 PolarHBondContact N-O 2.96Å
454	N	67.8	Low	62.7	Low	130 Å²	130	70.1 Å²	70.1	70%	0.695	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.5	-179.2	-66.7	-5.4	0	0	0	114.5
455	M	58.3	Low	63.3	Low	155 Å²	155	68.9 Å²	68.9	76%	0.764	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-21.9	-177.3	-72.7	-60.2	-55.2	0	0	114.7	C453	C453-M455 PolarHBondContact O-N 2.7Å
456	C	65.4	Low	63.3	Low	58 Å²	58	69.6 Å²	69.6	39%	0.392	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	8.2	-179.1	59.4	0	0	0	0	113.1	C453 T458 H460	C453-C456 PolarHBondContact O-N 2.8Å; C453-C456 VanDerWaalsContact SG-SG 3.62Å; C456-T458 PolarHBondContact O-N 2.99Å; C456-T458 PolarHBondContact SG-OG1 2.82Å; C456-H460 PolarHBondContact SG-NE2 3.44Å
457	E	64.1	Low	63.6	Low	159 Å²	159	72 Å²	72	74%	0.743	38%	0.375	S	S	*	.			trans	60	-11.5	175.4	-53.2	-163.9	130.8	0	0	117	C453	C453-E457 WeakPolarHBondContact O-CA 3.4Å; C453-E457 PolarHBondContact O-N 3.26Å
458	T	55.3	Low	63.9	Low	67 Å²	67	71.2 Å²	71.2	41%	0.411	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-73.9	149.9	177.6	48.4	0	0	0	0	113.8	C453 C456 H460	C453-T458 PolarHBondContact N-O 2.96Å; C456-T458 PolarHBondContact O-N 2.99Å; C456-T458 PolarHBondContact SG-OG1 2.82Å; T458-H460 PolarHBondContact OG1-NE2 3.47Å
459	V	64.3	Low	63.9	Low	77 Å²	77	78 Å²	78	47%	0.467	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.6	164.4	177.7	0	0	0	0	109	H450 W451 F461	H450-V459 HydrophobicContact CB-CG1 3.95Å; W451-V459 WeakPolarHBondContact O-CA 3.35Å; V459-F461 HydrophobicContact CG1-CE2 4.38Å; V459-F461 HydrophobicContact CG1-CZ 4.37Å
460	H	63.2	Low	63.3	Low	9 Å²	9	82.9 Å²	82.9	4%	0.042	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.6	176.5	-77.7	-89.8	0	0	0	110.4	H450 W451 C456 T458 S557 C560	H450-H460 CarbonylContact C-O 3.42Å; H450-H460 WeakPolarHBondContact CA-O 3.4Å; H450-H460 VanDerWaalsContact CB-O 3.31Å; H450-H460 WeakPolarHBondContact CB-O 3.18Å; W451-H460 HydrophobicContact CD2-CB 3.69Å; W451-H460 HydrophobicContact CE3-CB 3.59Å; W451-H460 HydrophobicContact CH2-CB 3.63Å; W451-H460 HydrophobicContact CZ2-CB 3.7Å; W451-H460 HydrophobicContact CZ3-CB 3.55Å; W451-H460 PolarHBondContact N-O 2.59Å; W451-H460 PolarHBondContact O-N 3.01Å; C456-H460 PolarHBondContact SG-NE2 3.44Å; T458-H460 PolarHBondContact OG1-NE2 3.47Å; H460-S557 VanDerWaalsContact ND1-CB 3.26Å; H460-S557 WeakPolarHBondContact ND1-CB 3.45Å; H460-S557 PolarHBondContact ND1-O 3.06Å; H460-S557 PolarHBondContact ND1-OG 2.8Å; H460-C560 PolarHBondContact CE1-SG 3.03Å; H460-C560 PolarHBondContact NE2-SG 2.85Å
461	F	62.9	Low	62.1	Low	116 Å²	116	81.3 Å²	81.3	51%	0.509	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.9	169.3	-64.8	-84.8	0	0	0	109.7	H450 V459 E463 S557	H450-F461 HydrophobicContact CB-CD1 3.8Å; H450-F461 HydrophobicContact CB-CE1 3.94Å; H450-F461 HydrophobicContact CB-CG 4.43Å; V459-F461 HydrophobicContact CG1-CE2 4.38Å; V459-F461 HydrophobicContact CG1-CZ 4.37Å; F461-E463 PolarHBondContact O-N 3.14Å; F461-S557 VanDerWaalsContact O-CB 3.26Å; F461-S557 WeakPolarHBondContact O-CB 3.37Å; F461-S557 PolarHBondContact O-OG 2.97Å
462	A	62.1	Low	60.3	Low	33 Å²	33	84.9 Å²	84.9	27%	0.273	45%	0.448	S	S	.	.			trans	-62.1	100.3	-179.6	0	0	0	0	0	112.3	T449 V555	T449-A462 PolarHBondContact O-N 3.38Å; A462-V555 HydrophobicContact CB-CG1 3.61Å
463	E	60.7	Low	58.8	Low	101 Å²	101	82.7 Å²	82.7	47%	0.472	44%	0.441	S	S	.	.			trans	-82.3	-43.1	177.2	-70.3	164.2	-149.5	0	0	111.4	F461 R556 S557 G558 R594	F461-E463 PolarHBondContact O-N 3.14Å; E463-R556 PolarHBondContact N-O 2.98Å; E463-R556 VanDerWaalsContact N-O 3.07Å; E463-S557 VanDerWaalsContact CD-CA 3.42Å; E463-S557 WeakPolarHBondContact OE1-CA 3.49Å; E463-S557 WeakPolarHBondContact OE1-CB 3.49Å; E463-S557 PolarHBondContact OE1-OG 3.07Å; E463-S557 WeakPolarHBondContact OE2-CA 3.11Å; E463-G558 VanDerWaalsContact CD-N 3.3Å; E463-G558 PolarHBondContact OE1-N 3.15Å; E463-G558 VanDerWaalsContact OE1-N 3.15Å; E463-G558 PolarHBondContact OE2-N 2.84Å; E463-R594 IonicContact OE1-CZ 2.73Å; E463-R594 IonicContact OE1-NE 2.83Å; E463-R594 IonicContact OE1-NH2 3.1Å; E463-R594 PolarHBondContact OE1-NH2 2.95Å
464	K	58.8	Low	57.2	Low	106 Å²	106	88 Å²	88	46%	0.461	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.9	178.7	-164.9	-175.4	178.4	-161.4	0	110.1	Q466 R556	K464-Q466 HydrophobicContact CD-CG 3.86Å; K464-Q466 HydrophobicContact CG-CG 4.07Å; K464-R556 PolarHBondContact N-O 2.93Å; K464-R556 VanDerWaalsContact N-O 3.15Å; K464-R556 PolarHBondContact O-N 2.6Å
465	I	63.8	Low	55.9	Low	47 Å²	47	85.1 Å²	85.1	24%	0.241	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.4	171.1	-54	164	0	0	0	106	Y441 F445 V553	Y441-I465 HydrophobicContact CD1-CG2 4.4Å; Y441-I465 HydrophobicContact CD2-CG2 4.23Å; Y441-I465 HydrophobicContact CG-CG2 4.05Å; F445-I465 HydrophobicContact CB-CD1 3.44Å; F445-I465 VanDerWaalsContact CB-CD1 3.44Å; F445-I465 HydrophobicContact CD1-CD1 4.4Å; F445-I465 HydrophobicContact CD2-CD1 3.72Å; F445-I465 HydrophobicContact CG-CD1 3.58Å; F445-I465 HydrophobicContact CG-CG1 4.35Å; I465-V553 HydrophobicContact CG2-CB 4.09Å; I465-V553 HydrophobicContact CG2-CG1 4.36Å; I465-V553 HydrophobicContact CG2-CG2 4.31Å
466	Q	62.7	Low	54.8	Low	23 Å²	23	81.6 Å²	81.6	11%	0.107	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143	177.8	-64.7	-171.5	-114.1	0	0	110.1	K464 E470 C554	K464-Q466 HydrophobicContact CD-CG 3.86Å; K464-Q466 HydrophobicContact CG-CG 4.07Å; Q466-E470 PolarHBondContact NE2-O 2.88Å; Q466-C554 HydrophobicContact CB-CB 4.47Å; Q466-C554 PolarHBondContact N-O 3.11Å; Q466-C554 PolarHBondContact O-N 2.96Å
467	E	58.8	Low	53.5	Low	81 Å²	81	83 Å²	83	38%	0.379	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	151.4	164.9	-73.5	168.1	-164.7	0	0	109.4	Y441 E469 E470 A471	Y441-E467 HydrophobicContact CE2-CG 4.41Å; Y441-E467 WeakPolarHBondContact CE2-OE1 3.26Å; Y441-E467 VanDerWaalsContact OH-CG 3.32Å; Y441-E467 WeakPolarHBondContact OH-CG 3.24Å; Y441-E467 PolarHBondContact OH-OE1 3.22Å; E467-E469 PolarHBondContact O-N 3.26Å; E467-E470 PolarHBondContact O-N 3.48Å; E467-E470 VanDerWaalsContact O-N 3.09Å; E467-A471 PolarHBondContact O-N 3.22Å
468	I	58.3	Low	52.8	Low	83 Å²	83	78.8 Å²	78.8	43%	0.426	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32	-171.9	-68.5	174.5	0	0	0	111.4	A471 E552	I468-A471 VanDerWaalsContact O-CB 3.24Å; I468-A471 WeakPolarHBondContact O-CB 3.43Å; I468-A471 PolarHBondContact O-N 3.32Å; I468-E552 HydrophobicContact CD1-CB 3.72Å; I468-E552 WeakPolarHBondContact CD1-O 3.2Å
469	E	54.9	Low	52.9	Low	195 Å²	195	77.3 Å²	77.3	91%	0.911	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-72.5	-35.4	176.5	-59.1	-174.5	176.4	0	0	112.8	E467 A471	E467-E469 PolarHBondContact O-N 3.26Å; E469-A471 PolarHBondContact O-N 3.31Å
470	E	50.3	Low	52.8	Low	107 Å²	107	74.2 Å²	74.2	50%	0.5	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-75.2	-7.7	173.6	-78.4	-153.5	149.7	0	0	113.7	Q466 E467 G472	Q466-E470 PolarHBondContact NE2-O 2.88Å; E467-E470 PolarHBondContact O-N 3.48Å; E467-E470 VanDerWaalsContact O-N 3.09Å; E470-G472 PolarHBondContact O-N 3.48Å
471	A	45.4	Very low	53.2	Low	19 Å²	19	76.8 Å²	76.8	16%	0.157	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-64.8	-26.7	-173.5	0	0	0	0	0	112.9	E467 I468 E469 L473	E467-A471 PolarHBondContact O-N 3.22Å; I468-A471 VanDerWaalsContact O-CB 3.24Å; I468-A471 WeakPolarHBondContact O-CB 3.43Å; I468-A471 PolarHBondContact O-N 3.32Å; E469-A471 PolarHBondContact O-N 3.31Å; A471-L473 HydrophobicContact CB-CB 4.47Å; A471-L473 HydrophobicContact CB-CD1 4.31Å; A471-L473 WeakPolarHBondContact O-CD1 3.45Å; A471-L473 WeakPolarHBondContact O-CG 3.47Å; A471-L473 PolarHBondContact O-N 3.43Å
472	G	41.7	Very low	53.9	Low	80 Å²	80	72.6 Å²	72.6	83%	0.825	45%	0.446	S	S	*	.			trans	61.9	13.1	179.8	0	0	0	0	0	114.5	E470	E470-G472 PolarHBondContact O-N 3.48Å
473	L	44.9	Very low	54.6	Low	74 Å²	74	71 Å²	71	39%	0.387	43%	0.433	S	S	.	.			trans	-106.4	119.2	-170.8	-78.1	151.7	0	0	0	109.4	A471 F475	A471-L473 HydrophobicContact CB-CB 4.47Å; A471-L473 HydrophobicContact CB-CD1 4.31Å; A471-L473 WeakPolarHBondContact O-CD1 3.45Å; A471-L473 WeakPolarHBondContact O-CG 3.47Å; A471-L473 PolarHBondContact O-N 3.43Å; L473-F475 HydrophobicContact CB-CD2 3.67Å; L473-F475 HydrophobicContact CB-CE2 3.75Å; L473-F475 HydrophobicContact CB-CG 4.33Å; L473-F475 HydrophobicContact CB-CZ 4.43Å; L473-F475 HydrophobicContact CD1-CE2 3.84Å; L473-F475 HydrophobicContact CD1-CZ 4.49Å; L473-F475 HydrophobicContact CD2-CE2 4.05Å; L473-F475 HydrophobicContact CD2-CZ 4.02Å; L473-F475 HydrophobicContact CG-CE2 4.09Å; L473-F475 PolarHBondContact O-N 2.94Å
474	S	36.8	Very low	55.5	Low	129 Å²	129	72.6 Å²	72.6	90%	0.902	44%	0.435	S	S	*	.			trans	-73.5	58.3	176.6	61.6	0	0	0	0	111.9
475	F	40.7	Very low	56.5	Low	68 Å²	68	69.5 Å²	69.5	30%	0.298	42%	0.423	S	S	.	.			trans	-86	128.4	174.8	-71.6	-45.3	0	0	0	110.4	L473 A477 S479 V480 V589	L473-F475 HydrophobicContact CB-CD2 3.67Å; L473-F475 HydrophobicContact CB-CE2 3.75Å; L473-F475 HydrophobicContact CB-CG 4.33Å; L473-F475 HydrophobicContact CB-CZ 4.43Å; L473-F475 HydrophobicContact CD1-CE2 3.84Å; L473-F475 HydrophobicContact CD1-CZ 4.49Å; L473-F475 HydrophobicContact CD2-CE2 4.05Å; L473-F475 HydrophobicContact CD2-CZ 4.02Å; L473-F475 HydrophobicContact CG-CE2 4.09Å; L473-F475 PolarHBondContact O-N 2.94Å; F475-A477 PolarHBondContact O-N 3.48Å; F475-S479 VanDerWaalsContact CD1-OG 3.31Å; F475-S479 WeakPolarHBondContact CD1-OG 3.36Å; F475-V480 HydrophobicContact CD2-CG2 3.6Å; F475-V480 HydrophobicContact CE2-CG2 3.67Å; F475-V480 HydrophobicContact CG-CG2 4.08Å; F475-V480 HydrophobicContact CZ-CG2 4.23Å; F475-V589 HydrophobicContact CE1-CG2 3.93Å
476	A	34.8	Very low	56.9	Low	81 Å²	81	68 Å²	68	67%	0.669	42%	0.417	S	S	*	.			trans	-58.7	135.3	159	0	0	0	0	0	108.3	G478 S479	A476-G478 PolarHBondContact O-N 3.38Å; A476-S479 PolarHBondContact O-N 2.94Å; A476-S479 PolarHBondContact O-OG 2.91Å
477	A	38.4	Very low	57.1	Low	88 Å²	88	73.8 Å²	73.8	73%	0.727	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	8.3	-158.6	0	0	0	0	0	117.2	F475 R563	F475-A477 PolarHBondContact O-N 3.48Å; A477-R563 PolarHBondContact O-NH1 2.98Å
478	G	49.1	Very low	57.5	Low	71 Å²	71	75.5 Å²	75.5	73%	0.732	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-2.5	173	0	0	0	0	0	116.1	A476 V480	A476-G478 PolarHBondContact O-N 3.38Å; G478-V480 PolarHBondContact O-N 2.75Å
479	S	57.5	Low	57.9	Low	35 Å²	35	71.9 Å²	71.9	25%	0.245	45%	0.452	C	S	.	.	S	Bend	trans	-87.6	15.8	-166.6	74.9	0	0	0	0	116.9	F475 A476	F475-S479 VanDerWaalsContact CD1-OG 3.31Å; F475-S479 WeakPolarHBondContact CD1-OG 3.36Å; A476-S479 PolarHBondContact O-N 2.94Å; A476-S479 PolarHBondContact O-OG 2.91Å
480	V	63.7	Low	59	Low	12 Å²	12	66.1 Å²	66.1	7%	0.073	43%	0.426	C	S	.	.	S	Bend	trans	-131.9	129.5	-177.7	179.8	0	0	0	0	108.8	F475 G478 V561 R563	F475-V480 HydrophobicContact CD2-CG2 3.6Å; F475-V480 HydrophobicContact CE2-CG2 3.67Å; F475-V480 HydrophobicContact CG-CG2 4.08Å; F475-V480 HydrophobicContact CZ-CG2 4.23Å; G478-V480 PolarHBondContact O-N 2.75Å; V480-V561 HydrophobicContact CG1-CG1 4.28Å; V480-R563 HydrophobicContact CB-CG 4.27Å; V480-R563 HydrophobicContact CG1-CB 4.47Å; V480-R563 HydrophobicContact CG1-CG 3.91Å
481	P	70.4	Confident	60.3	Low	64 Å²	64	61.1 Å²	61.1	42%	0.416	40%	0.402	S	S	.	.			trans	-60.5	142.3	-179	25.5	-34.7	0	0	0	111.3	V493 R563	P481-V493 HydrophobicContact CB-CG1 4.41Å; P481-R563 PolarHBondContact O-N 2.81Å
482	V	77.1	Confident	61.9	Low	28 Å²	28	64.6 Å²	64.6	17%	0.17	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.5	178.3	-175.2	0	0	0	0	109.5	I494 R563 R565	V482-I494 HydrophobicContact CG1-CD1 4.16Å; V482-I494 PolarHBondContact O-N 2.79Å; V482-R563 CarbonylContact C-O 3.53Å; V482-R563 VanDerWaalsContact CA-O 3.24Å; V482-R563 WeakPolarHBondContact CA-O 3.29Å; V482-R563 HydrophobicContact CG2-CB 4.3Å; V482-R565 HydrophobicContact CG1-CG 3.92Å
483	G	77.4	Confident	63.6	Low	0 Å²	0	63 Å²	63	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158.5	176.1	0	0	0	0	0	113	I492 R563 V564 R565	G483-I492 CarbonylContact C-O 3.58Å; G483-I492 WeakPolarHBondContact CA-O 3.35Å; G483-R563 PolarHBondContact N-O 3.15Å; G483-V564 WeakPolarHBondContact O-CA 3.43Å; G483-R565 PolarHBondContact O-N 2.75Å
484	R	80.9	Confident	64.9	Low	134 Å²	134	62.8 Å²	62.8	51%	0.506	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.5	169.9	-154.7	-178.8	-162.5	-163.4	3.9	108.4	I491 I492 I494 D567	R484-I491 CarbonylContact O-C 3.59Å; R484-I491 WeakPolarHBondContact O-CA 3.24Å; R484-I492 PolarHBondContact N-O 2.82Å; R484-I492 PolarHBondContact O-N 3.45Å; R484-I494 HydrophobicContact CB-CD1 3.93Å; R484-I494 HydrophobicContact CB-CG1 4.04Å; R484-D567 IonicContact CZ-OD2 2.64Å; R484-D567 IonicContact NE-OD2 3.37Å; R484-D567 PolarHBondContact NE-OD2 2.83Å; R484-D567 IonicContact NH2-OD2 3.87Å; R484-D567 PolarHBondContact NH2-OD2 2.84Å
485	L	78.6	Confident	66.1	Low	40 Å²	40	62.4 Å²	62.4	21%	0.209	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125.3	174.8	-178.5	69.8	0	0	0	110.3	Y444 T449 I491 V564	Y444-L485 HydrophobicContact CD1-CD2 4.25Å; Y444-L485 VanDerWaalsContact O-CD2 3.26Å; Y444-L485 WeakPolarHBondContact O-CD2 3.44Å; T449-L485 HydrophobicContact CG2-CD1 3.84Å; L485-I491 HydrophobicContact CD1-CG1 4.06Å; L485-V564 HydrophobicContact CB-CG1 4.12Å
486	A	72.8	Confident	66.5	Low	15 Å²	15	64.7 Å²	64.7	12%	0.124	41%	0.409	C	S	.	.			trans	-87.7	159	173.5	0	0	0	0	0	111.9	D488 G489 E490 I492	A486-D488 VanDerWaalsContact CB-OD1 3.3Å; A486-D488 WeakPolarHBondContact CB-OD1 3.48Å; A486-D488 PolarHBondContact O-N 2.79Å; A486-G489 PolarHBondContact O-N 3.47Å; A486-E490 HydrophobicContact CB-CB 4.45Å; A486-E490 WeakPolarHBondContact CB-O 3.33Å; A486-E490 PolarHBondContact N-O 3.43Å; A486-I492 HydrophobicContact CB-CD1 3.89Å; A486-I492 HydrophobicContact CB-CG1 4.24Å
487	P	66.6	Low	66.7	Low	146 Å²	146	65 Å²	65	95%	0.948	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17	-172.8	-22.5	34.9	0	0	0	115.8
488	D	68.3	Low	66.5	Low	116 Å²	116	68 Å²	68	62%	0.62	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-15.5	175.1	49.2	19.8	0	0	0	113.4	A486 E490	A486-D488 VanDerWaalsContact CB-OD1 3.3Å; A486-D488 WeakPolarHBondContact CB-OD1 3.48Å; A486-D488 PolarHBondContact O-N 2.79Å; D488-E490 PolarHBondContact OD1-N 2.96Å
489	G	66.1	Low	65.6	Low	8 Å²	8	69.7 Å²	69.7	8%	0.082	41%	0.411	C	S	.	.	S	Bend	trans	100.6	6.1	-175.9	0	0	0	0	0	115.2	T449 H450 A486	T449-G489 VanDerWaalsContact CA-O 3.22Å; T449-G489 WeakPolarHBondContact CA-O 3.37Å; T449-G489 WeakPolarHBondContact CG2-O 3.26Å; H450-G489 PolarHBondContact N-O 3.42Å; A486-G489 PolarHBondContact O-N 3.47Å
490	E	77	Confident	64.3	Low	74 Å²	74	75.3 Å²	75.3	35%	0.346	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-71.1	139.3	165.6	-173	172.1	-160.6	0	0	110.3	H450 A486 D488 I492	H450-E490 CarbonylContact O-C 3.57Å; A486-E490 HydrophobicContact CB-CB 4.45Å; A486-E490 WeakPolarHBondContact CB-O 3.33Å; A486-E490 PolarHBondContact N-O 3.43Å; D488-E490 PolarHBondContact OD1-N 2.96Å; E490-I492 HydrophobicContact CG-CG1 4.2Å
491	I	77.4	Confident	62.7	Low	2 Å²	2	80 Å²	80	1%	0.01	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	99.6	168.3	-55.8	160.4	0	0	0	107.7	F445 T449 H450 W451 R484 L485 V555 I562 V564	F445-I491 HydrophobicContact CE1-CD1 4.36Å; T449-I491 HydrophobicContact CG2-CD1 3.92Å; T449-I491 HydrophobicContact CG2-CG1 4Å; H450-I491 PolarHBondContact O-N 3.17Å; W451-I491 HydrophobicContact CB-CB 3.94Å; W451-I491 HydrophobicContact CB-CD1 4.49Å; W451-I491 HydrophobicContact CE3-CD1 4.3Å; R484-I491 CarbonylContact O-C 3.59Å; R484-I491 WeakPolarHBondContact O-CA 3.24Å; L485-I491 HydrophobicContact CD1-CG1 4.06Å; I491-V555 HydrophobicContact CD1-CB 4.45Å; I491-V555 HydrophobicContact CD1-CG1 4.23Å; I491-V555 HydrophobicContact CD1-CG2 4.35Å; I491-I562 HydrophobicContact CD1-CG2 4.31Å; I491-I562 HydrophobicContact CG2-CD1 3.71Å; I491-I562 HydrophobicContact CG2-CG1 4.34Å; I491-V564 HydrophobicContact CD1-CG2 3.87Å; I491-V564 HydrophobicContact CG1-CG2 4.23Å; I491-V564 HydrophobicContact CG2-CG1 4.37Å; I491-V564 HydrophobicContact CG2-CG2 3.69Å
492	I	80	Confident	60.8	Low	92 Å²	92	83.3 Å²	83.3	47%	0.472	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.4	-178.9	-57.4	176.1	0	0	0	108.9	G483 R484 A486 E490 I494	G483-I492 CarbonylContact C-O 3.58Å; G483-I492 WeakPolarHBondContact CA-O 3.35Å; R484-I492 PolarHBondContact N-O 2.82Å; R484-I492 PolarHBondContact O-N 3.45Å; A486-I492 HydrophobicContact CB-CD1 3.89Å; A486-I492 HydrophobicContact CB-CG1 4.24Å; E490-I492 HydrophobicContact CG-CG1 4.2Å; I492-I494 PolarHBondContact O-N 3.28Å
493	V	77.5	Confident	58.6	Low	47 Å²	47	83.1 Å²	83.1	29%	0.285	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.4	178.3	-175.9	0	0	0	0	110.3	P481 I562	P481-V493 HydrophobicContact CB-CG1 4.41Å; V493-I562 HydrophobicContact CG2-CD1 3.97Å
494	I	72.4	Confident	56.5	Low	68 Å²	68	89 Å²	89	35%	0.349	51%	0.507	S	S	.	.			trans	-87.8	113	178.8	-50.1	176	0	0	0	108.9	V482 R484 I492	V482-I494 HydrophobicContact CG1-CD1 4.16Å; V482-I494 PolarHBondContact O-N 2.79Å; R484-I494 HydrophobicContact CB-CD1 3.93Å; R484-I494 HydrophobicContact CB-CG1 4.04Å; I492-I494 PolarHBondContact O-N 3.28Å
495	N	61	Low	54.2	Low	121 Å²	121	85.2 Å²	85.2	65%	0.647	50%	0.504	S	S	*	.			trans	-73.4	140	165.1	-75.4	-22.1	0	0	0	110	S497	N495-S497 PolarHBondContact O-N 2.79Å
496	A	48.5	Very low	52	Low	117 Å²	117	90.4 Å²	90.4	97%	0.967	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	35.6	-175.2	0	0	0	0	0	114.1
497	S	40.9	Very low	50.3	Low	88 Å²	88	95.3 Å²	95.3	62%	0.615	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-16.3	-172	48.6	0	0	0	0	115	N495	N495-S497 PolarHBondContact O-N 2.79Å
498	D	34.2	Very low	49	Very low	150 Å²	150	93.8 Å²	93.8	80%	0.802	54%	0.539	S	S	*	.			trans	-112.4	122.6	-177	-69.5	-71.1	0	0	0	111.6
499	S	29	Very low	47.5	Very low	106 Å²	106	93.8 Å²	93.8	74%	0.741	54%	0.539	S	S	*	.			trans	-151.7	140.6	-179.1	58.5	0	0	0	0	112.2
500	N	30.5	Very low	46.2	Very low	154 Å²	154	101.2 Å²	101.2	82%	0.824	57%	0.569	S	S	*	*			trans	-162.1	119	168.2	-89.5	-53.6	0	0	0	111.4
501	T	29.9	Very low	44.2	Very low	110 Å²	110	105.4 Å²	105.4	68%	0.675	59%	0.593	S	S	*	*			trans	67.6	138.1	138.7	-38.9	0	0	0	0	120
502	E	30	Very low	42.5	Very low	133 Å²	133	110.5 Å²	110.5	62%	0.621	63%	0.626	S	S	*	*			cis	-168.8	149.8	-22.5	-174.4	171.8	-123.7	0	0	109.8	F574	E502-F574 VanDerWaalsContact O-CD2 3.25Å; E502-F574 WeakPolarHBondContact O-CD2 3.2Å
503	P	31.4	Very low	40.4	Very low	25 Å²	25	112.7 Å²	112.7	16%	0.162	64%	0.644	C	S	.	*			trans	-147	173.9	-144.6	49.9	-33.8	0	0	0	120.7	F574 Y576	P503-F574 HydrophobicContact CB-CB 3.68Å; P503-Y576 VanDerWaalsContact CD-CE1 3.5Å; P503-Y576 HydrophobicContact CG-CD1 3.31Å; P503-Y576 HydrophobicContact CG-CD2 3.51Å; P503-Y576 HydrophobicContact CG-CE1 3.65Å; P503-Y576 HydrophobicContact CG-CE2 3.81Å; P503-Y576 HydrophobicContact CG-CG 3.25Å; P503-Y576 VanDerWaalsContact CG-N 3.28Å
504	I	32.7	Very low	38.5	Very low	124 Å²	124	114.6 Å²	114.6	64%	0.636	66%	0.659	S	S	*	*			trans	-171.1	130.2	162.4	-117.8	163.2	0	0	0	119.5	F574 D575	I504-F574 CarbonylContact C-O 3.57Å; I504-F574 PolarHBondContact N-O 3.25Å; I504-D575 WeakPolarHBondContact CA-OD1 3.42Å
505	A	34	Very low	36.9	Very low	53 Å²	53	118.8 Å²	118.8	44%	0.438	68%	0.682	S	S	.	*			trans	51.3	175.3	140.2	0	0	0	0	0	124.3	D575	A505-D575 WeakPolarHBondContact CA-OD2 3.26Å; A505-D575 PolarHBondContact N-OD1 2.99Å; A505-D575 PolarHBondContact N-OD2 2.74Å
506	L	32.8	Very low	35.8	Very low	149 Å²	149	119.7 Å²	119.7	78%	0.78	69%	0.687	S	S	*	*			cis	-164.5	154.7	6.3	-160.7	61.6	0	0	0	114.8
507	N	36.4	Very low	35.2	Very low	118 Å²	118	121.5 Å²	121.5	63%	0.631	68%	0.675	S	S	*	*			trans	23.8	148.8	154.9	-68.8	44.7	0	0	0	125.3
508	D	38.3	Very low	35	Very low	115 Å²	115	124.4 Å²	124.4	62%	0.615	68%	0.684	S	S	*	*			cis	-159.9	-157.4	-10	-71.9	-36.6	0	0	0	107.2
509	D	38.4	Very low	34.8	Very low	115 Å²	115	121.8 Å²	121.8	62%	0.615	68%	0.678	S	S	*	*			cis	-171.6	172.5	-7.7	-131.3	3.9	0	0	0	108.9
510	K	37.4	Very low	35	Very low	164 Å²	164	125.1 Å²	125.1	71%	0.713	68%	0.681	S	S	*	*			cis	-162.8	121.7	-16.7	-144.8	175.6	-145.2	74.4	0	114
511	L	35.2	Very low	35	Very low	162 Å²	162	124.1 Å²	124.1	85%	0.848	68%	0.675	S	S	*	*			trans	51.8	136.3	136.5	-150.2	69.7	0	0	0	127.3
512	P	41.6	Very low	34.9	Very low	110 Å²	110	125.7 Å²	125.7	71%	0.714	68%	0.677	S	S	*	*			trans	-125.2	-174.9	170.1	45.1	-32.9	0	0	0	116.5
513	T	36.1	Very low	34.9	Very low	137 Å²	137	126.4 Å²	126.4	84%	0.84	68%	0.68	S	S	*	*			trans	-165.1	171.4	170.7	39.6	0	0	0	0	108.6
514	S	38.6	Very low	34.6	Very low	87 Å²	87	130.3 Å²	130.3	61%	0.608	70%	0.704	S	S	*	*			cis	177.6	161.5	-8.4	44.9	0	0	0	0	107
515	D	38.4	Very low	34.6	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	71%	0.714	S	S	*	*			cis	-161.1	-160.1	-27.6	-73.2	-37.9	0	0	0	105
516	D	36.7	Very low	34.5	Very low	140 Å²	140	139.4 Å²	139.4	75%	0.749	73%	0.734	S	S	*	*			cis	-160.3	-165	8.8	-173	13.7	0	0	0	109.7
517	H	36.2	Very low	34.5	Very low	155 Å²	155	137.3 Å²	137.3	72%	0.718	73%	0.729	S	S	*	*			trans	-116.4	164.6	-164.9	-75.6	-95.7	0	0	0	118
518	N	36.1	Very low	34.1	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	74%	0.735	S	S	*	*				159.3	176.7	114.9	-82.1	-61.3	0	0	0	116.2
519	S	31.2	Very low	33.6	Very low	95 Å²	95	140.9 Å²	140.9	66%	0.664	74%	0.744	S	S	*	*			trans	-128.7	162.7	-149.2	-51.9	0	0	0	0	117.4
520	E	33.4	Very low	33.2	Very low	175 Å²	175	141.4 Å²	141.4	82%	0.818	75%	0.747	S	S	*	*			trans	60.5	152.8	152.9	-69.4	172	134.2	0	0	118.7
521	L	30.3	Very low	32.8	Very low	133 Å²	133	139.8 Å²	139.8	70%	0.696	75%	0.746	S	S	*	*			cis	-160.7	153.9	24.5	-163	79.6	0	0	0	112.4
522	M	27.6	Very low	32.6	Very low	143 Å²	143	136.5 Å²	136.5	70%	0.704	74%	0.737	S	S	*	*			trans	65.8	142.8	149.2	-93.6	173.1	74.5	0	0	126.1
523	E	29.6	Very low	31.9	Very low	149 Å²	149	140 Å²	140	70%	0.696	74%	0.741	S	S	*	*			trans	82.8	108.1	148.3	-73.4	-168.5	170.2	0	0	125.9
524	T	26.2	Very low	31.5	Very low	107 Å²	107	140.8 Å²	140.8	66%	0.656	74%	0.739	S	S	*	*			trans	79.6	152.7	132.7	64	0	0	0	0	123.7
525	H	32.9	Very low	30.9	Very low	185 Å²	185	146.8 Å²	146.8	86%	0.856	75%	0.748	S	S	*	*			trans	86.2	139.1	169.7	-59.9	-75.4	0	0	0	120.6
526	Q	31.9	Very low	30.3	Very low	183 Å²	183	145.9 Å²	145.9	86%	0.855	75%	0.748	S	S	*	*			trans	-113.8	179	-177.4	-71.5	-179	-23.9	0	0	109.2
527	P	32.9	Very low	30	Very low	104 Å²	104	142.8 Å²	142.8	68%	0.675	75%	0.75	S	S	*	*			cis	-133.8	-164.7	-34.1	29	-6.6	0	0	0	112.6
528	L	28	Very low	29.5	Very low	143 Å²	143	144.8 Å²	144.8	75%	0.749	76%	0.76	S	S	*	*			trans	103.9	110.1	152.7	-65.3	157.8	0	0	0	120.9
529	M	27.1	Very low	29.1	Very low	166 Å²	166	141.9 Å²	141.9	82%	0.818	76%	0.757	S	S	*	*			trans	81.7	135.8	133.5	-80.4	-177.9	168.6	0	0	124.5
530	N	29.7	Very low	28.8	Very low	126 Å²	126	145.3 Å²	145.3	67%	0.674	77%	0.767	S	S	*	*			trans	82.7	114	146.9	-72.6	38.7	0	0	0	124.4
531	D	30.1	Very low	28.4	Very low	129 Å²	129	143 Å²	143	69%	0.69	77%	0.765	S	S	*	*				70.2	95	124.2	-62.9	-37.6	0	0	0	124.5
532	S	29.4	Very low	28.1	Very low	94 Å²	94	144.4 Å²	144.4	66%	0.657	77%	0.768	S	S	*	*				101.1	139.8	106.1	83.1	0	0	0	0	123.3
533	K	27.7	Very low	28.1	Very low	184 Å²	184	143.7 Å²	143.7	80%	0.8	78%	0.775	S	S	*	*			trans	83.1	145.6	139.2	-83.2	169.2	-178.4	169.8	0	123.5
534	L	28.6	Very low	28	Very low	153 Å²	153	143.1 Å²	143.1	80%	0.801	78%	0.777	S	S	*	*			trans	66.7	162	163.4	-86.2	72.8	0	0	0	117.9
535	R	25.9	Very low	28.1	Very low	213 Å²	213	149.2 Å²	149.2	80%	0.804	79%	0.788	S	S	*	*			cis	-171.3	159.6	-48	-127.5	-172.1	-180	-169	0.1	110.9
536	T	25.8	Very low	28.1	Very low	136 Å²	136	146 Å²	146	83%	0.834	78%	0.783	S	S	*	*			trans	62.8	140.9	152.1	46	0	0	0	0	122.2
537	G	30	Very low	27.8	Very low	76 Å²	76	145.3 Å²	145.3	78%	0.784	78%	0.78	S	S	*	*			trans	163.6	128	164.3	0	0	0	0	0	112.4
538	E	26.1	Very low	27.6	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	79%	0.791	S	S	*	*			trans	-133.2	151.8	-178.2	-77.5	-172.3	121.6	0	0	113.2
539	A	26	Very low	27.6	Very low	89 Å²	89	145.9 Å²	145.9	74%	0.736	78%	0.782	S	S	*	*			trans	55.2	132.5	151.6	0	0	0	0	0	121.9
540	N	25.1	Very low	28.3	Very low	166 Å²	166	147 Å²	147	89%	0.888	78%	0.782	S	S	*	*			trans	-175	161.4	133	-100.6	-40.2	0	0	0	113
541	V	25.5	Very low	29.6	Very low	127 Å²	127	147.1 Å²	147.1	77%	0.77	77%	0.774	S	S	*	*			trans	143	124.5	151.8	164.4	0	0	0	0	111.6
542	H	24.8	Very low	31.2	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.755	75%	0.747	S	S	*	*			trans	-155.6	128	172.1	-175.9	86.7	0	0	0	110.1
543	C	26.3	Very low	33	Very low	127 Å²	127	137.8 Å²	137.8	86%	0.858	72%	0.716	S	S	*	*			trans	-165.7	172.1	166.4	-114.2	0	0	0	0	110.6
544	N	29	Very low	35	Very low	137 Å²	137	129.7 Å²	129.7	73%	0.733	68%	0.683	S	S	*	*			trans	-144.8	156.3	-159.9	-117.9	-43.7	0	0	0	114
545	R	28.4	Very low	37	Very low	235 Å²	235	122.4 Å²	122.4	89%	0.887	65%	0.645	S	S	*	*			trans	82	151.3	165.5	-76.4	-166.4	165	-174.3	-5.4	119.7
546	P	31.8	Very low	39	Very low	118 Å²	118	115.5 Å²	115.5	77%	0.766	62%	0.618	S	S	*	*			trans	-136.8	174.3	-134.2	43.1	-25.7	0	0	0	116.9
547	Q	26.5	Very low	40.7	Very low	168 Å²	168	109.1 Å²	109.1	79%	0.785	58%	0.579	S	S	*	*			trans	-109	156.7	163.4	-78.3	-178	-35.3	0	0	112	C549	Q547-C549 PolarHBondContact O-N 2.82Å
548	I	28.1	Very low	42.1	Very low	176 Å²	176	105.8 Å²	105.8	90%	0.903	55%	0.546	S	S	*	.			trans	-91	96.9	179.6	-58.7	171.1	0	0	0	109.4
549	C	27.5	Very low	43.6	Very low	84 Å²	84	99 Å²	99	57%	0.568	52%	0.515	S	S	*	.			trans	-85.4	128.7	171.1	-64.5	0	0	0	0	110.5	Q547 Y551	Q547-C549 PolarHBondContact O-N 2.82Å; C549-Y551 WeakPolarHBondContact O-CD2 3.48Å; C549-Y551 PolarHBondContact O-N 2.88Å
550	K	42.4	Very low	45.4	Very low	189 Å²	189	95.8 Å²	95.8	82%	0.822	49%	0.488	S	S	*	.			trans	-68.5	113.9	167	-73.3	178.4	178.4	173	0	108.4	E552	K550-E552 VanDerWaalsContact C-N 3.3Å; K550-E552 PolarHBondContact O-N 2.78Å
551	Y	55.7	Low	47.5	Very low	128 Å²	128	89 Å²	89	50%	0.502	45%	0.452	S	S	.	.			trans	-74.1	82.2	179.4	-70.2	-84.5	0	0	0	111.3	C549 L566	C549-Y551 WeakPolarHBondContact O-CD2 3.48Å; C549-Y551 PolarHBondContact O-N 2.88Å; Y551-L566 WeakPolarHBondContact O-CB 3.4Å; Y551-L566 PolarHBondContact O-N 3.33Å
552	E	64.2	Low	49.8	Very low	27 Å²	27	83 Å²	83	13%	0.126	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.2	156	-73.1	-174.7	-171.7	0	0	109.3	I468 K550 R563 V564 R565	I468-E552 HydrophobicContact CD1-CB 3.72Å; I468-E552 WeakPolarHBondContact CD1-O 3.2Å; K550-E552 VanDerWaalsContact C-N 3.3Å; K550-E552 PolarHBondContact O-N 2.78Å; E552-R563 IonicContact OE2-CZ 3.9Å; E552-R563 IonicContact OE2-NE 3.15Å; E552-R563 PolarHBondContact OE2-NE 2.93Å; E552-R563 IonicContact OE2-NH2 3.24Å; E552-R563 PolarHBondContact OE2-NH2 2.6Å; E552-V564 WeakPolarHBondContact CA-O 3.06Å; E552-R565 HydrophobicContact CG-CG 3.65Å; E552-R565 IonicContact OE1-CZ 3.09Å; E552-R565 IonicContact OE1-NE 3.8Å; E552-R565 PolarHBondContact OE1-NE 3.44Å; E552-R565 IonicContact OE1-NH2 2.67Å; E552-R565 PolarHBondContact OE1-NH2 3.42Å
553	V	66.8	Low	52.4	Low	1 Å²	1	77.5 Å²	77.5	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.9	176.1	-78.8	0	0	0	0	112	Y441 F445 I465 V555 R563 V564 L566	Y441-V553 HydrophobicContact CD1-CG1 4.22Å; Y441-V553 HydrophobicContact CE1-CG1 3.51Å; F445-V553 HydrophobicContact CE2-CG2 3.76Å; F445-V553 HydrophobicContact CZ-CG2 3.67Å; I465-V553 HydrophobicContact CG2-CB 4.09Å; I465-V553 HydrophobicContact CG2-CG1 4.36Å; I465-V553 HydrophobicContact CG2-CG2 4.31Å; V553-V555 PolarHBondContact O-N 3.43Å; V553-R563 CarbonylContact O-C 3.55Å; V553-R563 WeakPolarHBondContact O-CA 3.41Å; V553-V564 HydrophobicContact CG2-CB 4.34Å; V553-V564 PolarHBondContact N-O 2.84Å; V553-V564 VanDerWaalsContact N-O 3.11Å; V553-V564 PolarHBondContact O-N 3.43Å; V553-L566 HydrophobicContact CG2-CD1 4.16Å; V553-L566 HydrophobicContact CG2-CG 4.39Å
554	C	70.2	Confident	54.8	Low	14 Å²	14	71.4 Å²	71.4	10%	0.095	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	107.9	172.1	-73.7	0	0	0	0	109.4	Q466 V561	Q466-C554 HydrophobicContact CB-CB 4.47Å; Q466-C554 PolarHBondContact N-O 3.11Å; Q466-C554 PolarHBondContact O-N 2.96Å; C554-V561 HydrophobicContact CB-CG1 3.91Å
555	V	71.5	Confident	56.8	Low	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127	168.4	-179.8	0	0	0	0	108.1	F445 W451 A462 I491 V553 V561 I562 V564	F445-V555 HydrophobicContact CD1-CG2 3.91Å; F445-V555 HydrophobicContact CE1-CG2 3.4Å; F445-V555 VanDerWaalsContact CE1-CG2 3.4Å; F445-V555 HydrophobicContact CZ-CG2 3.9Å; W451-V555 HydrophobicContact CE3-CG1 4.35Å; W451-V555 HydrophobicContact CH2-CG1 4.29Å; W451-V555 HydrophobicContact CZ3-CG1 3.7Å; A462-V555 HydrophobicContact CB-CG1 3.61Å; I491-V555 HydrophobicContact CD1-CB 4.45Å; I491-V555 HydrophobicContact CD1-CG1 4.23Å; I491-V555 HydrophobicContact CD1-CG2 4.35Å; V553-V555 PolarHBondContact O-N 3.43Å; V555-V561 WeakPolarHBondContact O-CA 3.47Å; V555-I562 HydrophobicContact CB-CG2 3.95Å; V555-I562 PolarHBondContact N-O 2.73Å; V555-I562 PolarHBondContact O-N 3.38Å; V555-V564 HydrophobicContact CB-CG2 4.25Å; V555-V564 HydrophobicContact CG2-CB 4.42Å; V555-V564 HydrophobicContact CG2-CG2 3.58Å
556	R	67	Low	58.5	Low	67 Å²	67	59.9 Å²	59.9	25%	0.253	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.1	-176.5	-178.3	169.6	179.2	134.7	5.6	111.9	E463 K464 G558 N559 C560 V561	E463-R556 PolarHBondContact N-O 2.98Å; E463-R556 VanDerWaalsContact N-O 3.07Å; K464-R556 PolarHBondContact N-O 2.93Å; K464-R556 VanDerWaalsContact N-O 3.15Å; K464-R556 PolarHBondContact O-N 2.6Å; R556-G558 PolarHBondContact NE-O 2.9Å; R556-G558 PolarHBondContact NH2-O 3.23Å; R556-N559 PolarHBondContact NH2-OD1 3.29Å; R556-C560 WeakPolarHBondContact CA-O 3.47Å; R556-V561 HydrophobicContact CB-CG2 4.17Å; R556-V561 HydrophobicContact CG-CG2 3.98Å
557	S	61.5	Low	59.6	Low	2 Å²	2	58 Å²	58	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	118.7	168.8	170.6	0	0	0	0	109.7	H460 F461 E463 N559 C560 R594	H460-S557 VanDerWaalsContact ND1-CB 3.26Å; H460-S557 WeakPolarHBondContact ND1-CB 3.45Å; H460-S557 PolarHBondContact ND1-O 3.06Å; H460-S557 PolarHBondContact ND1-OG 2.8Å; F461-S557 VanDerWaalsContact O-CB 3.26Å; F461-S557 WeakPolarHBondContact O-CB 3.37Å; F461-S557 PolarHBondContact O-OG 2.97Å; E463-S557 VanDerWaalsContact CD-CA 3.42Å; E463-S557 WeakPolarHBondContact OE1-CA 3.49Å; E463-S557 WeakPolarHBondContact OE1-CB 3.49Å; E463-S557 PolarHBondContact OE1-OG 3.07Å; E463-S557 WeakPolarHBondContact OE2-CA 3.11Å; S557-N559 PolarHBondContact O-N 3.27Å; S557-C560 PolarHBondContact N-O 3.38Å; S557-C560 PolarHBondContact O-N 3.44Å; S557-R594 PolarHBondContact OG-NH2 3.4Å
558	G	59.3	Low	60.3	Low	7 Å²	7	54.2 Å²	54.2	7%	0.072	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	-106.8	-168.1	0	0	0	0	0	111.2	E463 R556	E463-G558 VanDerWaalsContact CD-N 3.3Å; E463-G558 PolarHBondContact OE1-N 3.15Å; E463-G558 VanDerWaalsContact OE1-N 3.15Å; E463-G558 PolarHBondContact OE2-N 2.84Å; R556-G558 PolarHBondContact NE-O 2.9Å; R556-G558 PolarHBondContact NH2-O 3.23Å
559	N	58	Low	60.5	Low	53 Å²	53	51.7 Å²	51.7	28%	0.283	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-15.2	175.4	-62.5	-42.7	0	0	0	114.2	R556 S557 L592	R556-N559 PolarHBondContact NH2-OD1 3.29Å; S557-N559 PolarHBondContact O-N 3.27Å; N559-L592 PolarHBondContact ND2-O 2.81Å
560	C	63.7	Low	60.6	Low	23 Å²	23	55 Å²	55	16%	0.155	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.3	-177	-60.6	0	0	0	0	108.9	W451 H460 R556 S557	W451-C560 HydrophobicContact CZ2-CB 3.79Å; H460-C560 PolarHBondContact CE1-SG 3.03Å; H460-C560 PolarHBondContact NE2-SG 2.85Å; R556-C560 WeakPolarHBondContact CA-O 3.47Å; S557-C560 PolarHBondContact N-O 3.38Å; S557-C560 PolarHBondContact O-N 3.44Å
561	V	69.2	Low	59.9	Low	24 Å²	24	50.6 Å²	50.6	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.3	179	-176.5	0	0	0	0	108.8	V480 C554 V555 R556	V480-V561 HydrophobicContact CG1-CG1 4.28Å; C554-V561 HydrophobicContact CB-CG1 3.91Å; V555-V561 WeakPolarHBondContact O-CA 3.47Å; R556-V561 HydrophobicContact CB-CG2 4.17Å; R556-V561 HydrophobicContact CG-CG2 3.98Å
562	I	74.6	Confident	58.6	Low	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.3	174.1	-172.7	164.6	0	0	0	109.2	W451 I491 V493 V555 V564	W451-I562 HydrophobicContact CD2-CG2 3.82Å; W451-I562 HydrophobicContact CE3-CG2 4.12Å; W451-I562 HydrophobicContact CG-CD1 4.28Å; W451-I562 HydrophobicContact CG-CG2 4.23Å; W451-I562 HydrophobicContact CH2-CG2 4.29Å; W451-I562 HydrophobicContact CZ2-CG2 4.03Å; W451-I562 HydrophobicContact CZ3-CG2 4.36Å; I491-I562 HydrophobicContact CD1-CG2 4.31Å; I491-I562 HydrophobicContact CG2-CD1 3.71Å; I491-I562 HydrophobicContact CG2-CG1 4.34Å; V493-I562 HydrophobicContact CG2-CD1 3.97Å; V555-I562 HydrophobicContact CB-CG2 3.95Å; V555-I562 PolarHBondContact N-O 2.73Å; V555-I562 PolarHBondContact O-N 3.38Å; I562-V564 HydrophobicContact CG2-CG2 4.22Å
563	R	77.9	Confident	56.9	Low	46 Å²	46	56.9 Å²	56.9	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116.5	173.3	-81.5	164.7	69.6	171.7	2.1	108.5	A477 V480 P481 V482 G483 E552 V553	A477-R563 PolarHBondContact O-NH1 2.98Å; V480-R563 HydrophobicContact CB-CG 4.27Å; V480-R563 HydrophobicContact CG1-CB 4.47Å; V480-R563 HydrophobicContact CG1-CG 3.91Å; P481-R563 PolarHBondContact O-N 2.81Å; V482-R563 CarbonylContact C-O 3.53Å; V482-R563 VanDerWaalsContact CA-O 3.24Å; V482-R563 WeakPolarHBondContact CA-O 3.29Å; V482-R563 HydrophobicContact CG2-CB 4.3Å; G483-R563 PolarHBondContact N-O 3.15Å; E552-R563 IonicContact OE2-CZ 3.9Å; E552-R563 IonicContact OE2-NE 3.15Å; E552-R563 PolarHBondContact OE2-NE 2.93Å; E552-R563 IonicContact OE2-NH2 3.24Å; E552-R563 PolarHBondContact OE2-NH2 2.6Å; V553-R563 CarbonylContact O-C 3.55Å; V553-R563 WeakPolarHBondContact O-CA 3.41Å
564	V	76.7	Confident	55	Low	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.3	179.8	-173.2	0	0	0	0	109.7	F445 G483 L485 I491 E552 V553 V555 I562 L566	F445-V564 HydrophobicContact CE1-CB 4.24Å; F445-V564 HydrophobicContact CE1-CG1 4.13Å; F445-V564 HydrophobicContact CE1-CG2 4.11Å; F445-V564 HydrophobicContact CZ-CB 3.97Å; F445-V564 HydrophobicContact CZ-CG1 3.9Å; F445-V564 HydrophobicContact CZ-CG2 4.31Å; G483-V564 WeakPolarHBondContact O-CA 3.43Å; L485-V564 HydrophobicContact CB-CG1 4.12Å; I491-V564 HydrophobicContact CD1-CG2 3.87Å; I491-V564 HydrophobicContact CG1-CG2 4.23Å; I491-V564 HydrophobicContact CG2-CG1 4.37Å; I491-V564 HydrophobicContact CG2-CG2 3.69Å; E552-V564 WeakPolarHBondContact CA-O 3.06Å; V553-V564 HydrophobicContact CG2-CB 4.34Å; V553-V564 PolarHBondContact N-O 2.84Å; V553-V564 VanDerWaalsContact N-O 3.11Å; V553-V564 PolarHBondContact O-N 3.43Å; V555-V564 HydrophobicContact CB-CG2 4.25Å; V555-V564 HydrophobicContact CG2-CB 4.42Å; V555-V564 HydrophobicContact CG2-CG2 3.58Å; I562-V564 HydrophobicContact CG2-CG2 4.22Å; V564-L566 HydrophobicContact CG1-CD2 4.45Å
565	R	71	Confident	53	Low	109 Å²	109	67 Å²	67	41%	0.411	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.8	169.1	-81.6	179.9	179.2	155.6	11	109.9	V482 G483 E552	V482-R565 HydrophobicContact CG1-CG 3.92Å; G483-R565 PolarHBondContact O-N 2.75Å; E552-R565 HydrophobicContact CG-CG 3.65Å; E552-R565 IonicContact OE1-CZ 3.09Å; E552-R565 IonicContact OE1-NE 3.8Å; E552-R565 PolarHBondContact OE1-NE 3.44Å; E552-R565 IonicContact OE1-NH2 2.67Å; E552-R565 PolarHBondContact OE1-NH2 3.42Å
566	L	64.5	Low	51	Low	20 Å²	20	73 Å²	73	11%	0.105	38%	0.376	C	S	.	.			trans	-93	92.4	169	-59	177.9	0	0	0	108.6	Y441 Y444 F445 Y551 V553 V564 T568	Y441-L566 HydrophobicContact CD1-CD1 4.39Å; Y441-L566 HydrophobicContact CE1-CD1 4.25Å; Y444-L566 HydrophobicContact CD1-CD2 3.9Å; Y444-L566 HydrophobicContact CD2-CD1 4.38Å; Y444-L566 HydrophobicContact CD2-CD2 4.41Å; Y444-L566 HydrophobicContact CE1-CD2 4.46Å; Y444-L566 HydrophobicContact CG-CD2 3.87Å; F445-L566 HydrophobicContact CE2-CD1 4.4Å; F445-L566 HydrophobicContact CE2-CD2 3.9Å; F445-L566 HydrophobicContact CZ-CD2 3.94Å; Y551-L566 WeakPolarHBondContact O-CB 3.4Å; Y551-L566 PolarHBondContact O-N 3.33Å; V553-L566 HydrophobicContact CG2-CD1 4.16Å; V553-L566 HydrophobicContact CG2-CG 4.39Å; V564-L566 HydrophobicContact CG1-CD2 4.45Å; L566-T568 PolarHBondContact O-N 2.71Å; L566-T568 VanDerWaalsContact O-N 3.1Å
567	D	54.4	Low	49.1	Very low	78 Å²	78	75.7 Å²	75.7	42%	0.417	40%	0.395	S	S	.	.			trans	-68.6	106.6	174.4	-70.1	-31.6	0	0	0	109.9	R484 D569	R484-D567 IonicContact CZ-OD2 2.64Å; R484-D567 IonicContact NE-OD2 3.37Å; R484-D567 PolarHBondContact NE-OD2 2.83Å; R484-D567 IonicContact NH2-OD2 3.87Å; R484-D567 PolarHBondContact NH2-OD2 2.84Å; D567-D569 VanDerWaalsContact C-N 3.29Å; D567-D569 PolarHBondContact O-N 3.24Å
568	T	41.4	Very low	47.6	Very low	89 Å²	89	83.7 Å²	83.7	55%	0.546	43%	0.432	S	S	.	.			trans	-91.6	58.7	175	56.7	0	0	0	0	110.9	L566 N570	L566-T568 PolarHBondContact O-N 2.71Å; L566-T568 VanDerWaalsContact O-N 3.1Å; T568-N570 PolarHBondContact O-N 2.91Å
569	D	33.6	Very low	46.1	Very low	123 Å²	123	88.1 Å²	88.1	66%	0.658	46%	0.461	S	S	*	.			trans	-73.3	92.9	178.8	-104.1	-33.9	0	0	0	111.7	D567	D567-D569 VanDerWaalsContact C-N 3.29Å; D567-D569 PolarHBondContact O-N 3.24Å
570	N	28.5	Very low	44.6	Very low	153 Å²	153	93 Å²	93	82%	0.818	49%	0.487	S	S	*	.	S	Bend	trans	-151.6	124.8	137.5	-112.3	-49.9	0	0	0	110.2	T568	T568-N570 PolarHBondContact O-N 2.91Å
571	S	28.3	Very low	42.9	Very low	98 Å²	98	98.2 Å²	98.2	69%	0.685	52%	0.518	S	S	*	.	S	Bend	trans	65.7	96.7	-179.5	58.3	0	0	0	0	118.6
572	H	29.2	Very low	40.9	Very low	185 Å²	185	102.1 Å²	102.1	86%	0.856	55%	0.546	S	S	*	.			trans	35.5	114.2	137.5	-39.9	-73.2	0	0	0	117.7
573	S	27.7	Very low	38.7	Very low	102 Å²	102	108.1 Å²	108.1	71%	0.713	58%	0.583	S	S	*	*			cis	-167.7	152.2	48.4	48.4	0	0	0	0	112.6
574	F	26	Very low	36.4	Very low	129 Å²	129	112.1 Å²	112.1	57%	0.566	61%	0.608	S	S	*	*			trans	-83.2	175.6	179.8	-32.4	-95.4	0	0	0	112.8	E502 P503 I504	E502-F574 VanDerWaalsContact O-CD2 3.25Å; E502-F574 WeakPolarHBondContact O-CD2 3.2Å; P503-F574 HydrophobicContact CB-CB 3.68Å; I504-F574 CarbonylContact C-O 3.57Å; I504-F574 PolarHBondContact N-O 3.25Å
575	D	28.2	Very low	34	Very low	97 Å²	97	119.1 Å²	119.1	52%	0.519	65%	0.645	S	S	.	*			trans	-130.5	151.8	166.8	-154.6	2.9	0	0	0	114	I504 A505	I504-D575 WeakPolarHBondContact CA-OD1 3.42Å; A505-D575 WeakPolarHBondContact CA-OD2 3.26Å; A505-D575 PolarHBondContact N-OD1 2.99Å; A505-D575 PolarHBondContact N-OD2 2.74Å
576	Y	29.7	Very low	31.9	Very low	127 Å²	127	121.2 Å²	121.2	50%	0.498	66%	0.664	S	S	.	*			trans	-74.6	178.9	165.3	-84.1	-50.2	0	0	0	109	P503	P503-Y576 VanDerWaalsContact CD-CE1 3.5Å; P503-Y576 HydrophobicContact CG-CD1 3.31Å; P503-Y576 HydrophobicContact CG-CD2 3.51Å; P503-Y576 HydrophobicContact CG-CE1 3.65Å; P503-Y576 HydrophobicContact CG-CE2 3.81Å; P503-Y576 HydrophobicContact CG-CG 3.25Å; P503-Y576 VanDerWaalsContact CG-N 3.28Å
577	L	27.1	Very low	30.1	Very low	123 Å²	123	128.6 Å²	128.6	64%	0.644	70%	0.696	S	S	*	*			cis	-172.7	175.9	-39.4	-168.1	115.4	0	0	0	105.3
578	H	29.6	Very low	28.8	Very low	171 Å²	171	128.3 Å²	128.3	79%	0.792	70%	0.699	S	S	*	*			trans	71.6	140.8	-175.4	-50.7	-86.1	0	0	0	114.4
579	S	28.6	Very low	28.4	Very low	100 Å²	100	129 Å²	129	70%	0.699	70%	0.703	S	S	*	*			cis	-141.5	139.8	-9.9	58.3	0	0	0	0	108.1
580	L	25.9	Very low	28.2	Very low	156 Å²	156	128.9 Å²	128.9	82%	0.817	71%	0.709	S	S	*	*				39.7	122.7	82.4	-69	165.9	0	0	0	111.9
581	T	28.2	Very low	28.1	Very low	132 Å²	132	126.7 Å²	126.7	81%	0.81	70%	0.704	S	S	*	*			cis	-135.7	171.6	39.2	47.6	0	0	0	0	115.6
582	S	27.9	Very low	28.1	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	71%	0.706	S	S	*	*			trans	-56.5	153.6	178.6	54.3	0	0	0	0	116.7
583	V	29.2	Very low	28.3	Very low	126 Å²	126	125.1 Å²	125.1	76%	0.764	70%	0.7	S	S	*	*				-165.6	142.4	111	142.5	0	0	0	0	110.2
584	D	28.5	Very low	28.5	Very low	131 Å²	131	123.8 Å²	123.8	70%	0.701	68%	0.679	S	S	*	*			trans	43.8	117.2	166.6	-60	-10	0	0	0	122
585	N	27.3	Very low	28.9	Very low	147 Å²	147	122.7 Å²	122.7	79%	0.786	69%	0.685	S	S	*	*	S	Bend	trans	-63.5	160.5	157.1	-63	-39.7	0	0	0	111.1
586	N	26.4	Very low	29.6	Very low	152 Å²	152	121.1 Å²	121.1	81%	0.813	69%	0.692	S	S	*	*			trans	93.7	38.6	168.5	-49.2	-21.6	0	0	0	118.9
587	F	27	Very low	30.3	Very low	175 Å²	175	116.9 Å²	116.9	77%	0.768	68%	0.681	S	S	*	*			trans	-131.6	115.2	167.9	-68.6	-75.7	0	0	0	114.5
588	C	27.8	Very low	31.2	Very low	73 Å²	73	113.2 Å²	113.2	49%	0.493	67%	0.668	S	S	.	*			trans	-138.6	152.1	158.8	-161.7	0	0	0	0	108.6
589	V	31.8	Very low	32.2	Very low	104 Å²	104	107.9 Å²	107.9	63%	0.63	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-84.1	143.6	-152	179.9	0	0	0	0	113.4	F475	F475-V589 HydrophobicContact CE1-CG2 3.93Å
590	P	29	Very low	33.6	Very low	120 Å²	120	103.7 Å²	103.7	78%	0.779	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-59	150.2	-179.2	-26.9	36.1	0	0	0	115.8
591	C	27.6	Very low	35.4	Very low	106 Å²	106	98.3 Å²	98.3	72%	0.716	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-72.6	131.1	-176.4	-61.3	0	0	0	0	114
592	L	27.9	Very low	37.2	Very low	139 Å²	139	92.1 Å²	92.1	73%	0.728	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-87.3	160.7	150.3	-78.3	163.4	0	0	0	109.7	N559	N559-L592 PolarHBondContact ND2-O 2.81Å
593	P	33.9	Very low	39	Very low	112 Å²	112	88.2 Å²	88.2	73%	0.727	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-58.4	153.6	178.4	-25.7	36.1	0	0	0	113.9	P595	P593-P595 VanDerWaalsContact O-CD 3.29Å; P593-P595 WeakPolarHBondContact O-CD 3.32Å
594	R	31.7	Very low	40.9	Very low	73 Å²	73	82.2 Å²	82.2	28%	0.275	48%	0.483	S	S	.	.			trans	-83.9	108.5	-174.3	-167.7	-176.5	-162.4	158.4	2	110.4	E463 S557 G596	E463-R594 IonicContact OE1-CZ 2.73Å; E463-R594 IonicContact OE1-NE 2.83Å; E463-R594 IonicContact OE1-NH2 3.1Å; E463-R594 PolarHBondContact OE1-NH2 2.95Å; S557-R594 PolarHBondContact OG-NH2 3.4Å; R594-G596 PolarHBondContact O-N 3.02Å
595	P	33.6	Very low	42.6	Very low	106 Å²	106	78.5 Å²	78.5	69%	0.688	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	128.6	-178.5	29.6	-34	0	0	0	111.3	P593	P593-P595 VanDerWaalsContact O-CD 3.29Å; P593-P595 WeakPolarHBondContact O-CD 3.32Å
596	G	43.6	Very low	44.5	Very low	64 Å²	64	75 Å²	75	66%	0.66	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	2.7	163.1	0	0	0	0	0	118.2	R594 A598	R594-G596 PolarHBondContact O-N 3.02Å; G596-A598 PolarHBondContact O-N 2.97Å
597	S	43.8	Very low	46.7	Very low	38 Å²	38	72.1 Å²	72.1	27%	0.266	43%	0.43	S	S	.	.			trans	-88.2	76	170.4	54.1	0	0	0	0	111.5	D599 Q713	S597-D599 PolarHBondContact O-N 3.37Å; S597-Q713 PolarHBondContact OG-OE1 2.86Å
598	A	46.6	Very low	49	Very low	46 Å²	46	70 Å²	70	38%	0.38	42%	0.421	S	S	.	.			trans	-64.1	126.7	-179	0	0	0	0	0	112.6	P410 G596 G712	P410-A598 HydrophobicContact CB-CB 4.35Å; G596-A598 PolarHBondContact O-N 2.97Å; A598-G712 WeakPolarHBondContact O-CA 3.42Å
599	D	50.1	Low	51.3	Low	60 Å²	60	67.2 Å²	67.2	32%	0.321	40%	0.401	S	S	.	.			trans	-65.9	141.5	176.6	-71.5	-44.3	0	0	0	111.9	V411 S597 T714	V411-D599 HydrophobicContact CB-CB 4.35Å; V411-D599 HydrophobicContact CG2-CB 4.33Å; V411-D599 PolarHBondContact N-O 3.38Å; S597-D599 PolarHBondContact O-N 3.37Å; D599-T714 WeakPolarHBondContact OD1-CA 3.36Å; D599-T714 WeakPolarHBondContact OD1-CB 3.41Å; D599-T714 PolarHBondContact OD1-N 3.2Å; D599-T714 PolarHBondContact OD1-OG1 3.2Å
600	V	58.9	Low	53.2	Low	12 Å²	12	62.2 Å²	62.2	7%	0.073	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	99.8	-168.1	-176.5	0	0	0	0	110	V408 L602 L704 T714 I715 S716	V408-V600 HydrophobicContact CG1-CG1 3.57Å; V600-L602 HydrophobicContact CG1-CD2 4.26Å; V600-L602 PolarHBondContact O-N 3.32Å; V600-L704 HydrophobicContact CG1-CD2 3.78Å; V600-L704 HydrophobicContact CG2-CD2 4.22Å; V600-T714 PolarHBondContact N-O 3.17Å; V600-I715 HydrophobicContact CB-CG1 4.37Å; V600-I715 WeakPolarHBondContact O-CA 3.35Å; V600-S716 PolarHBondContact O-N 3.12Å
601	K	62.7	Low	55.5	Low	43 Å²	43	61.9 Å²	61.9	19%	0.187	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.5	177.5	-160.8	-177.6	-166.8	-176.7	0	110.4	I409 V411 V603 S716 V718 E731	I409-K601 HydrophobicContact CB-CB 4.31Å; I409-K601 PolarHBondContact N-O 2.97Å; I409-K601 WeakPolarHBondContact O-CB 3.36Å; I409-K601 PolarHBondContact O-N 3.04Å; V411-K601 HydrophobicContact CG2-CB 4.11Å; K601-V603 HydrophobicContact CD-CG2 4.26Å; K601-V603 HydrophobicContact CG-CG2 4.11Å; K601-V603 PolarHBondContact O-N 3.12Å; K601-S716 CarbonylContact C-O 3.59Å; K601-S716 WeakPolarHBondContact CA-O 3.44Å; K601-V718 HydrophobicContact CD-CG2 4.48Å; K601-V718 HydrophobicContact CG-CB 4.49Å; K601-V718 HydrophobicContact CG-CG2 4.01Å; K601-E731 IonicContact NZ-OE1 3.95Å; K601-E731 PolarHBondContact NZ-OE1 3.47Å; K601-E731 IonicContact NZ-OE2 2.67Å; K601-E731 PolarHBondContact NZ-OE2 3.46Å
602	L	66.2	Low	58.1	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	98	173.2	-65.1	-177.4	0	0	0	109.5	V406 V408 V600 Y613 F639 L643 I715 S716 V717 V718	V406-L602 HydrophobicContact CG1-CD2 4.21Å; V408-L602 HydrophobicContact CG1-CD2 4.31Å; V408-L602 HydrophobicContact CG2-CD2 3.94Å; V600-L602 HydrophobicContact CG1-CD2 4.26Å; V600-L602 PolarHBondContact O-N 3.32Å; L602-Y613 HydrophobicContact CD1-CD1 4.08Å; L602-Y613 HydrophobicContact CD1-CE1 4.45Å; L602-F639 HydrophobicContact CD1-CZ 4.48Å; L602-L643 HydrophobicContact CD1-CD1 4.22Å; L602-L643 HydrophobicContact CD2-CD1 3.83Å; L602-I715 HydrophobicContact CD1-CG2 3.54Å; L602-I715 HydrophobicContact CG-CG2 3.88Å; L602-S716 PolarHBondContact N-O 3.11Å; L602-V717 HydrophobicContact CB-CG2 4.44Å; L602-V717 HydrophobicContact CD1-CG2 4.38Å; L602-V718 PolarHBondContact O-N 3.37Å
603	V	65	Low	60.5	Low	25 Å²	25	52.6 Å²	52.6	15%	0.152	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	107.2	-179.5	-176	0	0	0	0	109.7	V406 G407 I409 K601 V718 V720	V406-V603 WeakPolarHBondContact CA-O 3.47Å; G407-V603 PolarHBondContact N-O 2.64Å; G407-V603 WeakPolarHBondContact O-CB 3.46Å; G407-V603 PolarHBondContact O-N 3.3Å; I409-V603 HydrophobicContact CD1-CG2 3.74Å; I409-V603 HydrophobicContact CG1-CG2 4.01Å; K601-V603 HydrophobicContact CD-CG2 4.26Å; K601-V603 HydrophobicContact CG-CG2 4.11Å; K601-V603 PolarHBondContact O-N 3.12Å; V603-V718 CarbonylContact C-O 3.54Å; V603-V718 WeakPolarHBondContact CA-O 3.47Å; V603-V720 HydrophobicContact CG1-CG2 3.5Å
604	V	69	Low	62.7	Low	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.3	-170	-172.3	0	0	0	0	111.6	N606 L609 A610 V717 V718 S719	V604-N606 PolarHBondContact O-N 3.03Å; V604-N606 VanDerWaalsContact O-N 3.11Å; V604-L609 HydrophobicContact CG1-CB 3.65Å; V604-L609 HydrophobicContact CG1-CD2 3.85Å; V604-L609 HydrophobicContact CG1-CG 3.67Å; V604-A610 HydrophobicContact CB-CB 4.01Å; V604-A610 HydrophobicContact CG1-CB 4.13Å; V604-A610 HydrophobicContact CG2-CB 4.45Å; V604-V717 HydrophobicContact CG2-CG1 4.23Å; V604-V718 PolarHBondContact N-O 3.43Å; V604-S719 WeakPolarHBondContact O-CA 3.47Å
605	S	64	Low	65.2	Low	53 Å²	53	53.8 Å²	53.8	37%	0.371	30%	0.3	S	S	.	.	S	Bend	trans	-79.3	15.6	-173.7	81.1	0	0	0	0	116	Y405	Y405-S605 PolarHBondContact N-OG 2.73Å; Y405-S605 VanDerWaalsContact N-OG 3.08Å; Y405-S605 PolarHBondContact O-N 3.3Å; Y405-S605 VanDerWaalsContact O-N 3.17Å
606	N	68.1	Low	67.5	Low	72 Å²	72	49.5 Å²	49.5	39%	0.385	27%	0.274	S	S	.	.	S	Bend	trans	-158.2	124	-175.6	175.7	7.9	0	0	0	109.1	T404 V604 K608 L609 A610	T404-N606 HydrophobicContact CG2-CB 4.07Å; V604-N606 PolarHBondContact O-N 3.03Å; V604-N606 VanDerWaalsContact O-N 3.11Å; N606-K608 VanDerWaalsContact C-N 3.28Å; N606-K608 PolarHBondContact O-N 3.24Å; N606-K608 PolarHBondContact OD1-N 2.84Å; N606-K608 VanDerWaalsContact OD1-N 3.14Å; N606-L609 HydrophobicContact CB-CB 4.14Å; N606-L609 PolarHBondContact O-N 3.31Å; N606-L609 VanDerWaalsContact O-N 3.11Å; N606-A610 PolarHBondContact O-N 3.29Å
607	E	71.8	Confident	69.1	Low	92 Å²	92	46.7 Å²	46.7	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-37.2	-179.1	-65.1	-161.8	117.3	0	0	112.7	L609 A610 Q611 K732	E607-L609 VanDerWaalsContact C-N 3.35Å; E607-L609 PolarHBondContact O-N 3.42Å; E607-A610 WeakPolarHBondContact O-CB 3.49Å; E607-A610 PolarHBondContact O-N 3.25Å; E607-A610 VanDerWaalsContact O-N 3.13Å; E607-Q611 WeakPolarHBondContact O-CG 3.39Å; E607-Q611 PolarHBondContact O-N 3.49Å; E607-K732 IonicContact OE1-NZ 3.15Å; E607-K732 PolarHBondContact OE1-NZ 3.4Å
608	K	77	Confident	70.8	Confident	131 Å²	131	47 Å²	47	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-61.3	-44.5	176.1	-171.7	-169.6	175.2	-152.5	0	111.5	N606 A610 Q611 E612	N606-K608 VanDerWaalsContact C-N 3.28Å; N606-K608 PolarHBondContact O-N 3.24Å; N606-K608 PolarHBondContact OD1-N 2.84Å; N606-K608 VanDerWaalsContact OD1-N 3.14Å; K608-A610 VanDerWaalsContact C-N 3.26Å; K608-A610 PolarHBondContact O-N 3.03Å; K608-Q611 PolarHBondContact O-N 3.2Å; K608-E612 WeakPolarHBondContact CE-OE1 3.35Å; K608-E612 IonicContact NZ-OE1 3.22Å; K608-E612 PolarHBondContact NZ-OE1 3.4Å; K608-E612 WeakPolarHBondContact O-CB 3.22Å; K608-E612 PolarHBondContact O-N 3.08Å
609	L	74.4	Confident	72.4	Confident	14 Å²	14	46.4 Å²	46.4	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-32.3	178.3	-175.1	59.5	0	0	0	110.7	T404 V406 V604 N606 E607 E612 Y613	T404-L609 HydrophobicContact CG2-CD2 3.77Å; V406-L609 HydrophobicContact CG2-CD2 3.98Å; V604-L609 HydrophobicContact CG1-CB 3.65Å; V604-L609 HydrophobicContact CG1-CD2 3.85Å; V604-L609 HydrophobicContact CG1-CG 3.67Å; N606-L609 HydrophobicContact CB-CB 4.14Å; N606-L609 PolarHBondContact O-N 3.31Å; N606-L609 VanDerWaalsContact O-N 3.11Å; E607-L609 VanDerWaalsContact C-N 3.35Å; E607-L609 PolarHBondContact O-N 3.42Å; L609-E612 HydrophobicContact CD1-CB 4.36Å; L609-E612 WeakPolarHBondContact O-CB 3.26Å; L609-E612 PolarHBondContact O-N 2.98Å; L609-Y613 HydrophobicContact CD1-CD2 4.11Å; L609-Y613 HydrophobicContact CD1-CE2 3.92Å; L609-Y613 HydrophobicContact CG-CD2 4.2Å; L609-Y613 HydrophobicContact CG-CE2 4.21Å; L609-Y613 WeakPolarHBondContact O-CD2 3.48Å; L609-Y613 PolarHBondContact O-N 2.74Å
610	A	73	Confident	73.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.3	-38.2	175.7	0	0	0	0	0	112.4	V604 N606 E607 K608 Y613 H614 V717 I734	V604-A610 HydrophobicContact CB-CB 4.01Å; V604-A610 HydrophobicContact CG1-CB 4.13Å; V604-A610 HydrophobicContact CG2-CB 4.45Å; N606-A610 PolarHBondContact O-N 3.29Å; E607-A610 WeakPolarHBondContact O-CB 3.49Å; E607-A610 PolarHBondContact O-N 3.25Å; E607-A610 VanDerWaalsContact O-N 3.13Å; K608-A610 VanDerWaalsContact C-N 3.26Å; K608-A610 PolarHBondContact O-N 3.03Å; A610-Y613 PolarHBondContact O-N 3.06Å; A610-H614 PolarHBondContact O-N 3.13Å; A610-V717 HydrophobicContact CB-CG1 4.06Å; A610-I734 HydrophobicContact CB-CD1 3.37Å
611	Q	77.8	Confident	74.4	Confident	112 Å²	112	45 Å²	45	52%	0.523	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-41.3	170.1	-68.9	174.9	-69.4	0	0	111.5	E607 K608 Y613 H614 E615	E607-Q611 WeakPolarHBondContact O-CG 3.39Å; E607-Q611 PolarHBondContact O-N 3.49Å; K608-Q611 PolarHBondContact O-N 3.2Å; Q611-Y613 VanDerWaalsContact C-N 3.26Å; Q611-Y613 PolarHBondContact O-N 3.35Å; Q611-H614 WeakPolarHBondContact O-CB 3.29Å; Q611-H614 PolarHBondContact O-N 2.89Å; Q611-H614 VanDerWaalsContact O-N 3.11Å; Q611-E615 WeakPolarHBondContact O-CG 3.46Å; Q611-E615 PolarHBondContact O-N 3.48Å
612	E	81.8	Confident	75.1	Confident	50 Å²	50	49.3 Å²	49.3	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-31	173.8	-86.7	-177.7	-136.8	0	0	113.6	K608 L609 A616 R642	K608-E612 WeakPolarHBondContact CE-OE1 3.35Å; K608-E612 IonicContact NZ-OE1 3.22Å; K608-E612 PolarHBondContact NZ-OE1 3.4Å; K608-E612 WeakPolarHBondContact O-CB 3.22Å; K608-E612 PolarHBondContact O-N 3.08Å; L609-E612 HydrophobicContact CD1-CB 4.36Å; L609-E612 WeakPolarHBondContact O-CB 3.26Å; L609-E612 PolarHBondContact O-N 2.98Å; E612-A616 PolarHBondContact O-N 3.22Å; E612-R642 VanDerWaalsContact CB-NH2 3.33Å; E612-R642 PolarHBondContact O-NH1 2.86Å; E612-R642 IonicContact OE2-CZ 2.8Å; E612-R642 IonicContact OE2-NH2 3.3Å; E612-R642 PolarHBondContact OE2-NH2 3.35Å
613	Y	78.7	Confident	75.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-79.9	-35.3	171.1	-89.7	-86.7	0	0	0	112.8	V406 L602 L609 A610 Q611 A616 L617 F639 R642 L643 D646	V406-Y613 HydrophobicContact CG2-CE2 4.29Å; L602-Y613 HydrophobicContact CD1-CD1 4.08Å; L602-Y613 HydrophobicContact CD1-CE1 4.45Å; L609-Y613 HydrophobicContact CD1-CD2 4.11Å; L609-Y613 HydrophobicContact CD1-CE2 3.92Å; L609-Y613 HydrophobicContact CG-CD2 4.2Å; L609-Y613 HydrophobicContact CG-CE2 4.21Å; L609-Y613 WeakPolarHBondContact O-CD2 3.48Å; L609-Y613 PolarHBondContact O-N 2.74Å; A610-Y613 PolarHBondContact O-N 3.06Å; Q611-Y613 VanDerWaalsContact C-N 3.26Å; Q611-Y613 PolarHBondContact O-N 3.35Å; Y613-A616 PolarHBondContact O-N 2.84Å; Y613-L617 WeakPolarHBondContact O-CG 3.25Å; Y613-L617 PolarHBondContact O-N 3.24Å; Y613-F639 AromaticContact CD1-CE2 3.99Å; Y613-F639 HydrophobicContact CD1-CE2 3.99Å; Y613-F639 HydrophobicContact CD1-CZ 4.36Å; Y613-F639 HydrophobicContact CE1-CE2 4.27Å; Y613-F639 HydrophobicContact CE1-CZ 4.49Å; Y613-R642 PolarHBondContact OH-O 2.88Å; Y613-L643 HydrophobicContact CE1-CD1 3.87Å; Y613-L643 WeakPolarHBondContact OH-CA 3.49Å; Y613-D646 WeakPolarHBondContact CE2-OD2 3.46Å; Y613-D646 PolarHBondContact OH-OD2 3.47Å
614	H	80.1	Confident	75.9	Confident	85 Å²	85	52.1 Å²	52.1	39%	0.394	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-47.2	172.6	174.1	62.7	0	0	0	111.8	A610 Q611 A616 L617 A618 I734 S735	A610-H614 PolarHBondContact O-N 3.13Å; Q611-H614 WeakPolarHBondContact O-CB 3.29Å; Q611-H614 PolarHBondContact O-N 2.89Å; Q611-H614 VanDerWaalsContact O-N 3.11Å; H614-A616 VanDerWaalsContact C-N 3.29Å; H614-A616 PolarHBondContact O-N 2.93Å; H614-L617 PolarHBondContact O-N 3.07Å; H614-A618 WeakPolarHBondContact O-CB 3.41Å; H614-A618 PolarHBondContact O-N 3.44Å; H614-I734 HydrophobicContact CB-CG2 4.13Å; H614-S735 WeakPolarHBondContact ND1-CB 3.37Å; H614-S735 PolarHBondContact ND1-OG 2.93Å; H614-S735 VanDerWaalsContact ND1-OG 3.13Å
615	E	83.5	Confident	76.1	Confident	125 Å²	125	60.1 Å²	60.1	58%	0.584	31%	0.314	S	S	*	.	H	α-helix	trans	-59.4	-38.3	173.8	-71.3	169.8	-176	0	0	112.2	Q611 A618 S619	Q611-E615 WeakPolarHBondContact O-CG 3.46Å; Q611-E615 PolarHBondContact O-N 3.48Å; E615-A618 PolarHBondContact O-N 2.68Å; E615-S619 PolarHBondContact O-N 3.13Å
616	A	81.5	Confident	76.5	Confident	17 Å²	17	61.2 Å²	61.2	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-68.8	-40.2	178.1	0	0	0	0	0	112.5	E612 Y613 H614 S619 L620 F639	E612-A616 PolarHBondContact O-N 3.22Å; Y613-A616 PolarHBondContact O-N 2.84Å; H614-A616 VanDerWaalsContact C-N 3.29Å; H614-A616 PolarHBondContact O-N 2.93Å; A616-S619 PolarHBondContact O-N 2.65Å; A616-L620 PolarHBondContact O-N 2.81Å; A616-F639 HydrophobicContact CB-CD2 3.95Å; A616-F639 HydrophobicContact CB-CE2 4.3Å
617	L	77.6	Confident	76.3	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	34%	0.337	C	S	.	.	H	α-helix	trans	-69.8	-37.3	174.4	-69.2	172.6	0	0	0	111.9	Y613 H614 S619 L620 A621 F639 I715 V717 F737	Y613-L617 WeakPolarHBondContact O-CG 3.25Å; Y613-L617 PolarHBondContact O-N 3.24Å; H614-L617 PolarHBondContact O-N 3.07Å; L617-S619 VanDerWaalsContact C-N 3.35Å; L617-S619 PolarHBondContact O-N 3.31Å; L617-L620 WeakPolarHBondContact O-CA 3.48Å; L617-L620 WeakPolarHBondContact O-CB 3.37Å; L617-L620 PolarHBondContact O-N 3.45Å; L617-A621 PolarHBondContact O-N 3.27Å; L617-F639 HydrophobicContact CD2-CD2 4.28Å; L617-F639 HydrophobicContact CD2-CE1 4.41Å; L617-F639 HydrophobicContact CD2-CE2 3.52Å; L617-F639 HydrophobicContact CD2-CZ 3.6Å; L617-F639 HydrophobicContact CG-CE2 3.92Å; L617-F639 HydrophobicContact CG-CZ 4.33Å; L617-I715 HydrophobicContact CD1-CG2 4.13Å; L617-I715 HydrophobicContact CD2-CD1 4.33Å; L617-I715 HydrophobicContact CD2-CG2 4.49Å; L617-V717 HydrophobicContact CD1-CG2 3.57Å; L617-F737 HydrophobicContact CB-CB 4.21Å; L617-F737 HydrophobicContact CB-CD2 4.32Å; L617-F737 HydrophobicContact CB-CG 4.44Å; L617-F737 HydrophobicContact CD1-CB 3.99Å; L617-F737 HydrophobicContact CD2-CB 3.89Å; L617-F737 HydrophobicContact CD2-CD1 4.23Å; L617-F737 HydrophobicContact CD2-CD2 4.42Å; L617-F737 HydrophobicContact CD2-CG 3.91Å; L617-F737 HydrophobicContact CG-CB 4.25Å
618	A	80	Confident	76.4	Confident	44 Å²	44	63.3 Å²	63.3	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-62.7	-40.9	172.7	0	0	0	0	0	111.9	H614 E615 L620 A621 Q622	H614-A618 WeakPolarHBondContact O-CB 3.41Å; H614-A618 PolarHBondContact O-N 3.44Å; E615-A618 PolarHBondContact O-N 2.68Å; A618-L620 PolarHBondContact O-N 3.49Å; A618-A621 PolarHBondContact O-N 3.09Å; A618-Q622 PolarHBondContact O-N 2.87Å; A618-Q622 VanDerWaalsContact O-N 3.08Å
619	S	80.1	Confident	76.1	Confident	33 Å²	33	62 Å²	62	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-69.2	-18.9	172.1	-177.9	0	0	0	0	113.6	E615 A616 L617 K635	E615-S619 PolarHBondContact O-N 3.13Å; A616-S619 PolarHBondContact O-N 2.65Å; L617-S619 VanDerWaalsContact C-N 3.35Å; L617-S619 PolarHBondContact O-N 3.31Å; S619-K635 WeakPolarHBondContact OG-CE 3.15Å; S619-K635 PolarHBondContact OG-NZ 2.9Å
620	L	76.5	Confident	76.1	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-81.2	-41.2	173	-167	68.2	0	0	0	110.4	A616 L617 A618 A623 V624 F632 K635 L636 F737	A616-L620 PolarHBondContact O-N 2.81Å; L617-L620 WeakPolarHBondContact O-CA 3.48Å; L617-L620 WeakPolarHBondContact O-CB 3.37Å; L617-L620 PolarHBondContact O-N 3.45Å; A618-L620 PolarHBondContact O-N 3.49Å; L620-A623 WeakPolarHBondContact O-CB 3.31Å; L620-A623 PolarHBondContact O-N 3.42Å; L620-V624 PolarHBondContact O-N 3.44Å; L620-F632 HydrophobicContact CD1-CD2 4.4Å; L620-F632 HydrophobicContact CD1-CE2 3.94Å; L620-F632 HydrophobicContact CG-CE2 4.15Å; L620-K635 HydrophobicContact CD1-CB 4.05Å; L620-L636 HydrophobicContact CD1-CB 4.1Å; L620-L636 HydrophobicContact CD1-CD1 4.2Å; L620-L636 HydrophobicContact CD2-CD1 4.15Å; L620-F737 HydrophobicContact CB-CE2 4.27Å; L620-F737 HydrophobicContact CB-CZ 4.41Å; L620-F737 HydrophobicContact CD2-CE1 3.9Å; L620-F737 HydrophobicContact CD2-CE2 4.33Å; L620-F737 HydrophobicContact CD2-CZ 3.77Å; L620-F737 HydrophobicContact CG-CE2 4.37Å; L620-F737 HydrophobicContact CG-CZ 4.02Å
621	A	73.9	Confident	76.1	Confident	42 Å²	42	66.9 Å²	66.9	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-49.1	173.9	0	0	0	0	0	111.9	L617 A618 A623 V624 F737	L617-A621 PolarHBondContact O-N 3.27Å; A618-A621 PolarHBondContact O-N 3.09Å; A621-A623 PolarHBondContact O-N 3.5Å; A621-A623 VanDerWaalsContact O-N 3.14Å; A621-V624 WeakPolarHBondContact O-CB 3.07Å; A621-V624 PolarHBondContact O-N 2.82Å; A621-F737 HydrophobicContact CB-CD2 4.4Å; A621-F737 HydrophobicContact CB-CE2 3.94Å
622	Q	78.3	Confident	75.9	Confident	132 Å²	132	64.3 Å²	64.3	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-61.6	-21.2	174.9	-71.6	179	-17.3	0	0	113.5	A618	A618-Q622 PolarHBondContact O-N 2.87Å; A618-Q622 VanDerWaalsContact O-N 3.08Å
623	A	77	Confident	75.5	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-81.5	-19.1	176	0	0	0	0	0	113	L620 A621 F632 K635	L620-A623 WeakPolarHBondContact O-CB 3.31Å; L620-A623 PolarHBondContact O-N 3.42Å; A621-A623 PolarHBondContact O-N 3.5Å; A621-A623 VanDerWaalsContact O-N 3.14Å; A623-F632 HydrophobicContact CB-CD2 4.17Å; A623-K635 HydrophobicContact CB-CB 3.84Å; A623-K635 HydrophobicContact CB-CG 3.79Å
624	V	70.3	Confident	75.5	Confident	85 Å²	85	75.5 Å²	75.5	52%	0.515	41%	0.408	S	S	.	.	H	α-helix	trans	-74.8	-30.6	172	-178.8	0	0	0	0	111.3	L620 A621 N626 F632	L620-V624 PolarHBondContact O-N 3.44Å; A621-V624 WeakPolarHBondContact O-CB 3.07Å; A621-V624 PolarHBondContact O-N 2.82Å; V624-N626 PolarHBondContact O-N 3.42Å; V624-F632 HydrophobicContact CG2-CD2 3.71Å; V624-F632 HydrophobicContact CG2-CE2 3.46Å; V624-F632 VanDerWaalsContact CG2-CE2 3.46Å; V624-F632 HydrophobicContact CG2-CZ 4.35Å
625	E	72.8	Confident	75.5	Confident	167 Å²	167	74.8 Å²	74.8	78%	0.78	40%	0.403	S	S	*	.	S	Bend	trans	-71.3	-11.5	176.3	-60.5	-178	157	0	0	113.3
626	N	71.5	Confident	75	Confident	77 Å²	77	71.1 Å²	71.1	41%	0.412	39%	0.387	S	S	.	.	S	Bend	trans	-88.1	129.8	-177	-124.8	-32	0	0	0	110.5	V624 D628 H631	V624-N626 PolarHBondContact O-N 3.42Å; N626-D628 PolarHBondContact O-N 2.93Å; N626-D628 VanDerWaalsContact O-N 3.09Å; N626-H631 PolarHBondContact ND2-CD2 2.92Å; N626-H631 PolarHBondContact ND2-NE2 2.81Å
627	P	64.8	Low	74.7	Confident	127 Å²	127	75.1 Å²	75.1	83%	0.825	40%	0.403	S	S	*	.	S	Bend	trans	-72.9	-1.1	-175.4	30.2	-36.8	0	0	0	114.7
628	D	74.7	Confident	74.8	Confident	81 Å²	81	79.2 Å²	79.2	43%	0.433	43%	0.425	S	S	.	.			trans	-97.7	110.1	175.5	178.8	11.2	0	0	0	111.3	N626 A630 H631	N626-D628 PolarHBondContact O-N 2.93Å; N626-D628 VanDerWaalsContact O-N 3.09Å; D628-A630 PolarHBondContact O-N 2.98Å; D628-A630 VanDerWaalsContact OD1-CB 3.24Å; D628-A630 WeakPolarHBondContact OD1-CB 3.34Å; D628-A630 PolarHBondContact OD1-N 2.86Å; D628-H631 HydrophobicContact CB-CB 4.3Å; D628-H631 WeakPolarHBondContact O-CB 3.47Å; D628-H631 PolarHBondContact O-N 3.05Å; D628-H631 VanDerWaalsContact O-N 3.1Å
629	P	69.4	Low	74.8	Confident	104 Å²	104	77.7 Å²	77.7	68%	0.675	41%	0.41	S	S	*	.	H	α-helix	trans	-66.1	-17.7	177.8	28.6	-35.2	0	0	0	113.3	R633	P629-R633 WeakPolarHBondContact O-CB 3.38Å; P629-R633 PolarHBondContact O-N 3.02Å; P629-R633 VanDerWaalsContact O-N 3.12Å
630	A	74.2	Confident	74.4	Confident	59 Å²	59	82.4 Å²	82.4	49%	0.488	42%	0.423	S	S	.	.	H	α-helix	trans	-68.6	-37.4	172.5	0	0	0	0	0	111.6	D628 R633 E634	D628-A630 PolarHBondContact O-N 2.98Å; D628-A630 VanDerWaalsContact OD1-CB 3.24Å; D628-A630 WeakPolarHBondContact OD1-CB 3.34Å; D628-A630 PolarHBondContact OD1-N 2.86Å; A630-R633 WeakPolarHBondContact O-CB 3.4Å; A630-R633 PolarHBondContact O-N 3.38Å; A630-E634 PolarHBondContact O-N 2.93Å
631	H	74.7	Confident	74.4	Confident	56 Å²	56	84.1 Å²	84.1	26%	0.259	44%	0.436	S	S	.	.	H	α-helix	trans	-66.6	-44.3	177.8	-174.6	70.9	0	0	0	112.5	N626 D628 R633 E634 K635	N626-H631 PolarHBondContact ND2-CD2 2.92Å; N626-H631 PolarHBondContact ND2-NE2 2.81Å; D628-H631 HydrophobicContact CB-CB 4.3Å; D628-H631 WeakPolarHBondContact O-CB 3.47Å; D628-H631 PolarHBondContact O-N 3.05Å; D628-H631 VanDerWaalsContact O-N 3.1Å; H631-R633 VanDerWaalsContact C-N 3.3Å; H631-R633 PolarHBondContact O-N 2.91Å; H631-E634 PolarHBondContact O-N 2.84Å; H631-K635 PolarHBondContact O-N 3Å; H631-K635 VanDerWaalsContact O-N 3.11Å
632	F	73.3	Confident	74.7	Confident	58 Å²	58	85 Å²	85	25%	0.254	43%	0.43	S	S	.	.	H	α-helix	trans	-59.1	-42.9	171.7	176.9	-108	0	0	0	111.4	L620 A623 V624 E634 K635 L636	L620-F632 HydrophobicContact CD1-CD2 4.4Å; L620-F632 HydrophobicContact CD1-CE2 3.94Å; L620-F632 HydrophobicContact CG-CE2 4.15Å; A623-F632 HydrophobicContact CB-CD2 4.17Å; V624-F632 HydrophobicContact CG2-CD2 3.71Å; V624-F632 HydrophobicContact CG2-CE2 3.46Å; V624-F632 VanDerWaalsContact CG2-CE2 3.46Å; V624-F632 HydrophobicContact CG2-CZ 4.35Å; F632-E634 PolarHBondContact O-N 3.35Å; F632-K635 PolarHBondContact O-N 3.15Å; F632-L636 HydrophobicContact CE1-CD2 4.09Å; F632-L636 HydrophobicContact CZ-CD2 4.35Å; F632-L636 WeakPolarHBondContact O-CB 3.34Å; F632-L636 PolarHBondContact O-N 3.46Å
633	R	73.1	Confident	74.4	Confident	154 Å²	154	80 Å²	80	58%	0.581	41%	0.407	S	S	*	.	H	α-helix	trans	-63.2	-41.6	179	-164.6	179.5	-152.3	142.8	10.1	112.7	C448 P629 A630 H631 L636 E637	C448-R633 PolarHBondContact SG-NH2 2.76Å; C448-R633 VanDerWaalsContact SG-NH2 3.44Å; P629-R633 WeakPolarHBondContact O-CB 3.38Å; P629-R633 PolarHBondContact O-N 3.02Å; P629-R633 VanDerWaalsContact O-N 3.12Å; A630-R633 WeakPolarHBondContact O-CB 3.4Å; A630-R633 PolarHBondContact O-N 3.38Å; H631-R633 VanDerWaalsContact C-N 3.3Å; H631-R633 PolarHBondContact O-N 2.91Å; R633-L636 PolarHBondContact O-N 2.97Å; R633-E637 WeakPolarHBondContact O-CB 3.44Å; R633-E637 VanDerWaalsContact O-CG 3.23Å; R633-E637 WeakPolarHBondContact O-CG 3.48Å; R633-E637 PolarHBondContact O-N 2.99Å
634	E	79.4	Confident	74.1	Confident	132 Å²	132	82.4 Å²	82.4	62%	0.617	42%	0.423	S	S	*	.	H	α-helix	trans	-59.8	-47.7	174.4	-176.8	-176.2	-162	0	0	111.2	A630 H631 F632 L636 E637 D638	A630-E634 PolarHBondContact O-N 2.93Å; H631-E634 PolarHBondContact O-N 2.84Å; F632-E634 PolarHBondContact O-N 3.35Å; E634-L636 PolarHBondContact O-N 3.01Å; E634-E637 PolarHBondContact O-N 2.85Å; E634-D638 PolarHBondContact O-N 3.22Å
635	K	78.2	Confident	74.2	Confident	69 Å²	69	85.2 Å²	85.2	30%	0.3	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-38	178.7	-73.9	-75.3	-174.9	172.8	0	113	S619 L620 A623 H631 F632 D638 F639	S619-K635 WeakPolarHBondContact OG-CE 3.15Å; S619-K635 PolarHBondContact OG-NZ 2.9Å; L620-K635 HydrophobicContact CD1-CB 4.05Å; A623-K635 HydrophobicContact CB-CB 3.84Å; A623-K635 HydrophobicContact CB-CG 3.79Å; H631-K635 PolarHBondContact O-N 3Å; H631-K635 VanDerWaalsContact O-N 3.11Å; F632-K635 PolarHBondContact O-N 3.15Å; K635-D638 PolarHBondContact O-N 3.41Å; K635-F639 WeakPolarHBondContact O-CB 3.4Å; K635-F639 PolarHBondContact O-N 3.26Å
636	L	73.5	Confident	74.1	Confident	48 Å²	48	79.3 Å²	79.3	25%	0.251	40%	0.398	S	S	.	.	H	α-helix	trans	-67.7	-39.7	174.7	-172.9	65.4	0	0	0	112	L620 F632 R633 E634 R640 F739	L620-L636 HydrophobicContact CD1-CB 4.1Å; L620-L636 HydrophobicContact CD1-CD1 4.2Å; L620-L636 HydrophobicContact CD2-CD1 4.15Å; F632-L636 HydrophobicContact CE1-CD2 4.09Å; F632-L636 HydrophobicContact CZ-CD2 4.35Å; F632-L636 WeakPolarHBondContact O-CB 3.34Å; F632-L636 PolarHBondContact O-N 3.46Å; R633-L636 PolarHBondContact O-N 2.97Å; E634-L636 PolarHBondContact O-N 3.01Å; L636-R640 VanDerWaalsContact O-CB 3.25Å; L636-R640 WeakPolarHBondContact O-CB 3.42Å; L636-R640 PolarHBondContact O-N 3.18Å; L636-F739 HydrophobicContact CD1-CE1 4.06Å
637	E	76.4	Confident	73.8	Confident	101 Å²	101	75.9 Å²	75.9	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-43	173.3	-75.5	-90.7	92.8	0	0	111.6	R633 E634 R640 S641	R633-E637 WeakPolarHBondContact O-CB 3.44Å; R633-E637 VanDerWaalsContact O-CG 3.23Å; R633-E637 WeakPolarHBondContact O-CG 3.48Å; R633-E637 PolarHBondContact O-N 2.99Å; E634-E637 PolarHBondContact O-N 2.85Å; E637-R640 PolarHBondContact O-N 2.88Å; E637-R640 IonicContact OE1-CZ 2.69Å; E637-R640 IonicContact OE1-NE 2.84Å; E637-R640 PolarHBondContact OE1-NE 2.98Å; E637-R640 IonicContact OE1-NH2 2.59Å; E637-R640 PolarHBondContact OE1-NH2 3.44Å; E637-S641 WeakPolarHBondContact O-CB 3.46Å; E637-S641 PolarHBondContact O-N 3.41Å
638	D	79.7	Confident	73.7	Confident	92 Å²	92	71.3 Å²	71.3	49%	0.492	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-45.3	177.1	-177	39.6	0	0	0	112.5	E634 K635 R640 S641 R642	E634-D638 PolarHBondContact O-N 3.22Å; K635-D638 PolarHBondContact O-N 3.41Å; D638-R640 VanDerWaalsContact C-N 3.29Å; D638-R640 PolarHBondContact O-N 3.41Å; D638-S641 CarbonylContact O-C 3.57Å; D638-S641 WeakPolarHBondContact O-CA 3.42Å; D638-S641 VanDerWaalsContact O-CB 3.25Å; D638-S641 WeakPolarHBondContact O-CB 3.47Å; D638-S641 PolarHBondContact O-N 3.48Å; D638-S641 PolarHBondContact O-OG 2.78Å; D638-S641 PolarHBondContact OD1-OG 2.82Å; D638-R642 PolarHBondContact O-N 3.39Å
639	F	78.8	Confident	73.3	Confident	11 Å²	11	73.2 Å²	73.2	5%	0.048	36%	0.362	C	S	.	.	H	α-helix	trans	-55.6	-45.6	173.3	179.3	-95.2	0	0	0	111.4	L602 Y613 A616 L617 K635 S641 R642 L643 I715	L602-F639 HydrophobicContact CD1-CZ 4.48Å; Y613-F639 AromaticContact CD1-CE2 3.99Å; Y613-F639 HydrophobicContact CD1-CE2 3.99Å; Y613-F639 HydrophobicContact CD1-CZ 4.36Å; Y613-F639 HydrophobicContact CE1-CE2 4.27Å; Y613-F639 HydrophobicContact CE1-CZ 4.49Å; A616-F639 HydrophobicContact CB-CD2 3.95Å; A616-F639 HydrophobicContact CB-CE2 4.3Å; L617-F639 HydrophobicContact CD2-CD2 4.28Å; L617-F639 HydrophobicContact CD2-CE1 4.41Å; L617-F639 HydrophobicContact CD2-CE2 3.52Å; L617-F639 HydrophobicContact CD2-CZ 3.6Å; L617-F639 HydrophobicContact CG-CE2 3.92Å; L617-F639 HydrophobicContact CG-CZ 4.33Å; K635-F639 WeakPolarHBondContact O-CB 3.4Å; K635-F639 PolarHBondContact O-N 3.26Å; F639-S641 VanDerWaalsContact C-N 3.31Å; F639-S641 PolarHBondContact O-N 3.35Å; F639-R642 PolarHBondContact O-N 3.3Å; F639-L643 PolarHBondContact O-N 2.98Å; F639-I715 HydrophobicContact CE1-CD1 3.98Å; F639-I715 HydrophobicContact CZ-CD1 4.17Å
640	R	72.5	Confident	72.9	Confident	132 Å²	132	68.6 Å²	68.6	50%	0.498	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-36.5	174.3	-169.8	169.9	75.3	130	-0.4	112	L636 E637 D638 C644	L636-R640 VanDerWaalsContact O-CB 3.25Å; L636-R640 WeakPolarHBondContact O-CB 3.42Å; L636-R640 PolarHBondContact O-N 3.18Å; E637-R640 PolarHBondContact O-N 2.88Å; E637-R640 IonicContact OE1-CZ 2.69Å; E637-R640 IonicContact OE1-NE 2.84Å; E637-R640 PolarHBondContact OE1-NE 2.98Å; E637-R640 IonicContact OE1-NH2 2.59Å; E637-R640 PolarHBondContact OE1-NH2 3.44Å; D638-R640 VanDerWaalsContact C-N 3.29Å; D638-R640 PolarHBondContact O-N 3.41Å; R640-C644 VanDerWaalsContact O-CB 3.28Å; R640-C644 WeakPolarHBondContact O-CB 3.27Å; R640-C644 PolarHBondContact O-N 2.79Å; R640-C644 PolarHBondContact O-SG 2.87Å; R640-C644 VanDerWaalsContact O-SG 3.41Å
641	S	75.8	Confident	72.3	Confident	39 Å²	39	68.2 Å²	68.2	27%	0.273	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-43.5	174	105.5	0	0	0	0	111.7	E637 D638 F639 R645	E637-S641 WeakPolarHBondContact O-CB 3.46Å; E637-S641 PolarHBondContact O-N 3.41Å; D638-S641 CarbonylContact O-C 3.57Å; D638-S641 WeakPolarHBondContact O-CA 3.42Å; D638-S641 VanDerWaalsContact O-CB 3.25Å; D638-S641 WeakPolarHBondContact O-CB 3.47Å; D638-S641 PolarHBondContact O-N 3.48Å; D638-S641 PolarHBondContact O-OG 2.78Å; D638-S641 PolarHBondContact OD1-OG 2.82Å; F639-S641 VanDerWaalsContact C-N 3.31Å; F639-S641 PolarHBondContact O-N 3.35Å; S641-R645 VanDerWaalsContact O-CB 3.24Å; S641-R645 WeakPolarHBondContact O-CB 3.37Å; S641-R645 PolarHBondContact O-N 2.92Å; S641-R645 PolarHBondContact OG-NH2 2.97Å
642	R	79.4	Confident	71.7	Confident	61 Å²	61	73.5 Å²	73.5	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-49.4	178.5	-164	178.6	-166.7	165.6	4.7	111.3	E612 Y613 D638 F639 C644 R645 D646	E612-R642 VanDerWaalsContact CB-NH2 3.33Å; E612-R642 PolarHBondContact O-NH1 2.86Å; E612-R642 IonicContact OE2-CZ 2.8Å; E612-R642 IonicContact OE2-NH2 3.3Å; E612-R642 PolarHBondContact OE2-NH2 3.35Å; Y613-R642 PolarHBondContact OH-O 2.88Å; D638-R642 PolarHBondContact O-N 3.39Å; F639-R642 PolarHBondContact O-N 3.3Å; R642-C644 PolarHBondContact O-N 3.39Å; R642-R645 WeakPolarHBondContact O-CB 3.4Å; R642-R645 PolarHBondContact O-N 2.86Å; R642-R645 VanDerWaalsContact O-N 3.12Å; R642-D646 PolarHBondContact O-N 2.82Å
643	L	73.2	Confident	71.2	Confident	25 Å²	25	72.8 Å²	72.8	13%	0.131	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-48.5	177.9	-168.2	71.5	0	0	0	111.6	L602 Y613 F639 R645 D646 V647	L602-L643 HydrophobicContact CD1-CD1 4.22Å; L602-L643 HydrophobicContact CD2-CD1 3.83Å; Y613-L643 HydrophobicContact CE1-CD1 3.87Å; Y613-L643 WeakPolarHBondContact OH-CA 3.49Å; F639-L643 PolarHBondContact O-N 2.98Å; L643-R645 VanDerWaalsContact C-N 3.28Å; L643-R645 PolarHBondContact O-N 3.17Å; L643-D646 PolarHBondContact O-N 3.36Å; L643-V647 HydrophobicContact CD1-CG2 3.86Å; L643-V647 HydrophobicContact CG-CG2 4.1Å; L643-V647 WeakPolarHBondContact O-CB 3.49Å; L643-V647 VanDerWaalsContact O-CG2 3.3Å; L643-V647 WeakPolarHBondContact O-CG2 3.47Å; L643-V647 PolarHBondContact O-N 2.95Å
644	C	69.2	Low	70.5	Confident	53 Å²	53	69 Å²	69	36%	0.358	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-29.4	177.1	-76.3	0	0	0	0	113.5	R640 R642 G648	R640-C644 VanDerWaalsContact O-CB 3.28Å; R640-C644 WeakPolarHBondContact O-CB 3.27Å; R640-C644 PolarHBondContact O-N 2.79Å; R640-C644 PolarHBondContact O-SG 2.87Å; R640-C644 VanDerWaalsContact O-SG 3.41Å; R642-C644 PolarHBondContact O-N 3.39Å; C644-G648 VanDerWaalsContact O-CA 3.22Å; C644-G648 WeakPolarHBondContact O-CA 3.18Å; C644-G648 PolarHBondContact O-N 2.93Å
645	R	73.7	Confident	69.7	Low	143 Å²	143	70.3 Å²	70.3	54%	0.54	34%	0.336	S	S	.	.	H	α-helix	trans	-71.9	-50	176.6	-171.2	-177.7	-58	110.8	8.1	111.4	S641 R642 L643 H649	S641-R645 VanDerWaalsContact O-CB 3.24Å; S641-R645 WeakPolarHBondContact O-CB 3.37Å; S641-R645 PolarHBondContact O-N 2.92Å; S641-R645 PolarHBondContact OG-NH2 2.97Å; R642-R645 WeakPolarHBondContact O-CB 3.4Å; R642-R645 PolarHBondContact O-N 2.86Å; R642-R645 VanDerWaalsContact O-N 3.12Å; L643-R645 VanDerWaalsContact C-N 3.28Å; L643-R645 PolarHBondContact O-N 3.17Å; R645-H649 WeakPolarHBondContact O-CB 3.37Å; R645-H649 PolarHBondContact O-N 3.44Å; R645-H649 VanDerWaalsContact O-N 3.09Å
646	D	70.4	Confident	69.2	Low	43 Å²	43	68.7 Å²	68.7	23%	0.23	34%	0.339	C	S	.	.	H	α-helix	trans	-74.5	-50.2	-175.3	-62.1	-19.2	0	0	0	111.6	V406 Y613 R642 L643 H649 G650	V406-D646 HydrophobicContact CG2-CB 4.26Å; Y613-D646 WeakPolarHBondContact CE2-OD2 3.46Å; Y613-D646 PolarHBondContact OH-OD2 3.47Å; R642-D646 PolarHBondContact O-N 2.82Å; L643-D646 PolarHBondContact O-N 3.36Å; D646-H649 PolarHBondContact O-N 3.31Å; D646-G650 PolarHBondContact O-N 2.81Å
647	V	65.7	Low	68.9	Low	6 Å²	6	70.7 Å²	70.7	4%	0.036	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-42.9	175.7	179.2	0	0	0	0	109.9	V406 V408 L643 H649 G650 V651 V701	V406-V647 HydrophobicContact CB-CG2 3.99Å; V406-V647 HydrophobicContact CG1-CG2 3.86Å; V408-V647 HydrophobicContact CG2-CG2 4.14Å; L643-V647 HydrophobicContact CD1-CG2 3.86Å; L643-V647 HydrophobicContact CG-CG2 4.1Å; L643-V647 WeakPolarHBondContact O-CB 3.49Å; L643-V647 VanDerWaalsContact O-CG2 3.3Å; L643-V647 WeakPolarHBondContact O-CG2 3.47Å; L643-V647 PolarHBondContact O-N 2.95Å; V647-H649 VanDerWaalsContact C-N 3.31Å; V647-H649 PolarHBondContact O-N 2.93Å; V647-G650 PolarHBondContact O-N 3.45Å; V647-G650 VanDerWaalsContact O-N 3.14Å; V647-V651 HydrophobicContact CG1-CG2 4.02Å; V647-V651 WeakPolarHBondContact O-CB 3.31Å; V647-V651 VanDerWaalsContact O-CG2 3.32Å; V647-V651 WeakPolarHBondContact O-CG2 3.24Å; V647-V651 PolarHBondContact O-N 2.62Å; V647-V701 HydrophobicContact CG1-CG1 3.46Å; V647-V701 VanDerWaalsContact CG1-CG1 3.46Å
648	G	63.1	Low	68.2	Low	30 Å²	30	67.3 Å²	67.3	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-36.6	178.8	0	0	0	0	0	113.5	C644 K652	C644-G648 VanDerWaalsContact O-CA 3.22Å; C644-G648 WeakPolarHBondContact O-CA 3.18Å; C644-G648 PolarHBondContact O-N 2.93Å; G648-K652 WeakPolarHBondContact O-CB 3.43Å; G648-K652 PolarHBondContact O-N 3.35Å
649	H	66.2	Low	67.7	Low	121 Å²	121	69.1 Å²	69.1	56%	0.56	34%	0.336	S	S	*	.	H	α-helix	trans	-67.1	-44.7	173.3	-173.1	-104.9	0	0	0	111.9	R645 D646 V647 K652 I653	R645-H649 WeakPolarHBondContact O-CB 3.37Å; R645-H649 PolarHBondContact O-N 3.44Å; R645-H649 VanDerWaalsContact O-N 3.09Å; D646-H649 PolarHBondContact O-N 3.31Å; V647-H649 VanDerWaalsContact C-N 3.31Å; V647-H649 PolarHBondContact O-N 2.93Å; H649-K652 PolarHBondContact O-N 3.35Å; H649-I653 PolarHBondContact O-N 3.02Å
650	G	61.3	Low	67.3	Low	7 Å²	7	72.7 Å²	72.7	7%	0.072	36%	0.356	C	S	.	.	H	α-helix	trans	-59.2	-48.4	173.9	0	0	0	0	0	112.8	D646 V647 K652 I653 L654	D646-G650 PolarHBondContact O-N 2.81Å; V647-G650 PolarHBondContact O-N 3.45Å; V647-G650 VanDerWaalsContact O-N 3.14Å; G650-K652 VanDerWaalsContact C-N 3.33Å; G650-K652 PolarHBondContact O-N 2.9Å; G650-I653 PolarHBondContact O-N 2.92Å; G650-L654 WeakPolarHBondContact O-CG 3.46Å; G650-L654 PolarHBondContact O-N 2.85Å
651	V	60	Low	67	Low	52 Å²	52	70.9 Å²	70.9	32%	0.315	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-40	176.2	170.7	0	0	0	0	111.4	V647 I653 L654 R655 V701	V647-V651 HydrophobicContact CG1-CG2 4.02Å; V647-V651 WeakPolarHBondContact O-CB 3.31Å; V647-V651 VanDerWaalsContact O-CG2 3.32Å; V647-V651 WeakPolarHBondContact O-CG2 3.24Å; V647-V651 PolarHBondContact O-N 2.62Å; V651-I653 VanDerWaalsContact C-N 3.34Å; V651-I653 PolarHBondContact O-N 3.36Å; V651-L654 PolarHBondContact O-N 3.35Å; V651-R655 WeakPolarHBondContact O-CB 3.37Å; V651-R655 PolarHBondContact O-N 2.91Å; V651-V701 HydrophobicContact CG2-CG1 3.54Å
652	K	62.7	Low	66.8	Low	167 Å²	167	76.4 Å²	76.4	73%	0.726	37%	0.37	S	S	*	.	H	α-helix	trans	-64	-38.2	178.7	-167.6	173.3	-176.4	178.1	0	112.4	G648 H649 G650 G656	G648-K652 WeakPolarHBondContact O-CB 3.43Å; G648-K652 PolarHBondContact O-N 3.35Å; H649-K652 PolarHBondContact O-N 3.35Å; G650-K652 VanDerWaalsContact C-N 3.33Å; G650-K652 PolarHBondContact O-N 2.9Å; K652-G656 PolarHBondContact O-N 2.8Å
653	I	63.1	Low	66.6	Low	42 Å²	42	76 Å²	76	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-66.2	-52.7	173.1	-67.5	172.4	0	0	0	110.3	K403 H649 G650 V651 R655 G656 E657	K403-I653 HydrophobicContact CD-CD1 4.43Å; K403-I653 HydrophobicContact CD-CG2 4.49Å; H649-I653 PolarHBondContact O-N 3.02Å; G650-I653 PolarHBondContact O-N 2.92Å; V651-I653 VanDerWaalsContact C-N 3.34Å; V651-I653 PolarHBondContact O-N 3.36Å; I653-R655 VanDerWaalsContact C-N 3.28Å; I653-R655 PolarHBondContact O-N 3.1Å; I653-G656 PolarHBondContact O-N 2.97Å; I653-G656 VanDerWaalsContact O-N 3.1Å; I653-E657 PolarHBondContact O-N 2.72Å
654	L	58	Low	66.8	Low	75 Å²	75	80.2 Å²	80.2	39%	0.393	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-35.3	-178.9	-69.9	170	0	0	0	112.5	G650 V651 E657 F658 M698	G650-L654 WeakPolarHBondContact O-CG 3.46Å; G650-L654 PolarHBondContact O-N 2.85Å; V651-L654 PolarHBondContact O-N 3.35Å; L654-E657 PolarHBondContact O-N 3.27Å; L654-F658 WeakPolarHBondContact O-CB 3.49Å; L654-F658 PolarHBondContact O-N 3.05Å; L654-M698 HydrophobicContact CB-CE 4Å
655	R	63.3	Low	66.8	Low	159 Å²	159	78.9 Å²	78.9	60%	0.6	39%	0.388	S	S	*	.	H	α-helix	trans	-67.5	-34	176.8	-166.2	173.6	-167.7	165.1	3.5	112.3	V651 I653 Q659	V651-R655 WeakPolarHBondContact O-CB 3.37Å; V651-R655 PolarHBondContact O-N 2.91Å; I653-R655 VanDerWaalsContact C-N 3.28Å; I653-R655 PolarHBondContact O-N 3.1Å; R655-Q659 VanDerWaalsContact O-CG 3.31Å; R655-Q659 WeakPolarHBondContact O-CG 3.49Å; R655-Q659 PolarHBondContact O-N 2.73Å
656	G	66.6	Low	66.8	Low	35 Å²	35	74.9 Å²	74.9	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-68.2	-50.8	171.1	0	0	0	0	0	111.9	K652 I653 F658 Q659 D660	K652-G656 PolarHBondContact O-N 2.8Å; I653-G656 PolarHBondContact O-N 2.97Å; I653-G656 VanDerWaalsContact O-N 3.1Å; G656-F658 VanDerWaalsContact C-N 3.26Å; G656-F658 PolarHBondContact O-N 2.89Å; G656-Q659 PolarHBondContact O-N 2.99Å; G656-D660 PolarHBondContact O-N 2.88Å; G656-D660 VanDerWaalsContact O-N 3.07Å
657	E	66.9	Low	67.2	Low	91 Å²	91	80.7 Å²	80.7	43%	0.425	41%	0.409	S	S	.	.	H	α-helix	trans	-61.1	-34.6	177.5	-66.2	178.7	-168.2	0	0	111.6	K403 I653 L654 D660 L661	K403-E657 IonicContact NZ-OE1 3.98Å; K403-E657 PolarHBondContact NZ-OE1 2.84Å; I653-E657 PolarHBondContact O-N 2.72Å; L654-E657 PolarHBondContact O-N 3.27Å; E657-D660 PolarHBondContact O-N 2.92Å; E657-L661 WeakPolarHBondContact O-CG 3.21Å; E657-L661 PolarHBondContact O-N 2.98Å
658	F	63	Low	67.5	Low	30 Å²	30	83.3 Å²	83.3	13%	0.132	43%	0.428	C	S	.	.	H	α-helix	trans	-71.4	-38.3	173.4	-179.6	-99.8	0	0	0	114	L654 G656 D660 L661 R662 V691 M694 M698	L654-F658 WeakPolarHBondContact O-CB 3.49Å; L654-F658 PolarHBondContact O-N 3.05Å; G656-F658 VanDerWaalsContact C-N 3.26Å; G656-F658 PolarHBondContact O-N 2.89Å; F658-D660 VanDerWaalsContact C-N 3.26Å; F658-D660 PolarHBondContact O-N 3.37Å; F658-L661 PolarHBondContact O-N 2.85Å; F658-R662 VanDerWaalsContact O-CB 3.27Å; F658-R662 WeakPolarHBondContact O-CB 3.26Å; F658-R662 PolarHBondContact O-N 3.32Å; F658-V691 HydrophobicContact CE2-CG1 4.32Å; F658-V691 HydrophobicContact CZ-CG1 4.21Å; F658-M694 HydrophobicContact CE2-CB 4.2Å; F658-M698 HydrophobicContact CB-CE 3.7Å; F658-M698 HydrophobicContact CD1-SD 4.36Å; F658-M698 HydrophobicContact CD2-CE 4.45Å; F658-M698 HydrophobicContact CG-CE 4.04Å; F658-M698 HydrophobicContact CG-SD 4.28Å
659	Q	68	Low	67.8	Low	129 Å²	129	84.4 Å²	84.4	60%	0.603	43%	0.429	S	S	*	.	H	α-helix	trans	-60.1	-41.5	172	-80.8	174.9	-14.6	0	0	110.8	R655 G656 R662 A663	R655-Q659 VanDerWaalsContact O-CG 3.31Å; R655-Q659 WeakPolarHBondContact O-CG 3.49Å; R655-Q659 PolarHBondContact O-N 2.73Å; G656-Q659 PolarHBondContact O-N 2.99Å; Q659-R662 PolarHBondContact O-N 3.07Å; Q659-A663 WeakPolarHBondContact O-CB 3.44Å; Q659-A663 PolarHBondContact O-N 3.15Å
660	D	72.2	Confident	68.3	Low	87 Å²	87	81.7 Å²	81.7	47%	0.465	43%	0.427	S	S	.	.	H	α-helix	trans	-65.9	-42.8	177.2	-133.7	45.8	0	0	0	112	G656 E657 F658 A663 K664	G656-D660 PolarHBondContact O-N 2.88Å; G656-D660 VanDerWaalsContact O-N 3.07Å; E657-D660 PolarHBondContact O-N 2.92Å; F658-D660 VanDerWaalsContact C-N 3.26Å; F658-D660 PolarHBondContact O-N 3.37Å; D660-A663 PolarHBondContact O-N 3.44Å; D660-K664 WeakPolarHBondContact O-CB 3.38Å; D660-K664 WeakPolarHBondContact O-CD 3.18Å; D660-K664 VanDerWaalsContact O-CG 3.24Å; D660-K664 WeakPolarHBondContact O-CG 3.47Å; D660-K664 PolarHBondContact O-N 3.13Å; D660-K664 VanDerWaalsContact OD2-CE 3.31Å; D660-K664 WeakPolarHBondContact OD2-CE 3.42Å; D660-K664 IonicContact OD2-NZ 3.87Å; D660-K664 PolarHBondContact OD2-NZ 2.81Å
661	L	65.7	Low	68.9	Low	93 Å²	93	85.5 Å²	85.5	49%	0.487	45%	0.453	S	S	.	.	H	α-helix	trans	-64.2	-40.4	172.9	-77.2	168.4	0	0	0	112.4	E657 F658 K664 S665	E657-L661 WeakPolarHBondContact O-CG 3.21Å; E657-L661 PolarHBondContact O-N 2.98Å; F658-L661 PolarHBondContact O-N 2.85Å; L661-K664 PolarHBondContact O-N 3.11Å; L661-S665 WeakPolarHBondContact O-CB 3.3Å; L661-S665 PolarHBondContact O-N 3.34Å; L661-S665 PolarHBondContact O-OG 3.44Å
662	R	70.4	Confident	69.3	Low	156 Å²	156	83.9 Å²	83.9	59%	0.589	44%	0.442	S	S	*	.	H	α-helix	trans	-66.5	-37	177	-170.7	171.6	-178.9	159	1.1	112	F658 Q659 S665 A666	F658-R662 VanDerWaalsContact O-CB 3.27Å; F658-R662 WeakPolarHBondContact O-CB 3.26Å; F658-R662 PolarHBondContact O-N 3.32Å; Q659-R662 PolarHBondContact O-N 3.07Å; R662-S665 WeakPolarHBondContact CA-OG 3.2Å; R662-S665 PolarHBondContact O-OG 2.81Å; R662-A666 WeakPolarHBondContact O-CB 3.32Å; R662-A666 PolarHBondContact O-N 3.36Å
663	A	76.1	Confident	69.4	Low	53 Å²	53	85.1 Å²	85.1	44%	0.438	44%	0.442	S	S	.	.	H	α-helix	trans	-67.5	-40	173.1	0	0	0	0	0	112.3	Q659 D660 K667	Q659-A663 WeakPolarHBondContact O-CB 3.44Å; Q659-A663 PolarHBondContact O-N 3.15Å; D660-A663 PolarHBondContact O-N 3.44Å; A663-K667 WeakPolarHBondContact O-CG 3.22Å; A663-K667 PolarHBondContact O-N 3.17Å
664	K	76.5	Confident	69.7	Low	113 Å²	113	90.5 Å²	90.5	49%	0.491	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-48.2	176.5	-71	161.9	-167	164.3	0	111.8	D660 L661 A666 K667 S668	D660-K664 WeakPolarHBondContact O-CB 3.38Å; D660-K664 WeakPolarHBondContact O-CD 3.18Å; D660-K664 VanDerWaalsContact O-CG 3.24Å; D660-K664 WeakPolarHBondContact O-CG 3.47Å; D660-K664 PolarHBondContact O-N 3.13Å; D660-K664 VanDerWaalsContact OD2-CE 3.31Å; D660-K664 WeakPolarHBondContact OD2-CE 3.42Å; D660-K664 IonicContact OD2-NZ 3.87Å; D660-K664 PolarHBondContact OD2-NZ 2.81Å; L661-K664 PolarHBondContact O-N 3.11Å; K664-A666 PolarHBondContact O-N 3Å; K664-K667 PolarHBondContact O-N 3.25Å; K664-S668 PolarHBondContact O-N 3.31Å; K664-S668 VanDerWaalsContact O-N 3.08Å; K664-S668 PolarHBondContact O-OG 3.43Å
665	S	69.3	Low	70.2	Confident	24 Å²	24	92 Å²	92	17%	0.168	48%	0.476	C	S	.	.	H	α-helix	trans	-65.1	-38.6	179.2	62.1	0	0	0	0	112.5	L661 R662 K667 S668 V669	L661-S665 WeakPolarHBondContact O-CB 3.3Å; L661-S665 PolarHBondContact O-N 3.34Å; L661-S665 PolarHBondContact O-OG 3.44Å; R662-S665 WeakPolarHBondContact CA-OG 3.2Å; R662-S665 PolarHBondContact O-OG 2.81Å; S665-K667 VanDerWaalsContact C-N 3.34Å; S665-K667 PolarHBondContact O-N 2.97Å; S665-S668 PolarHBondContact O-N 3.14Å; S665-V669 WeakPolarHBondContact O-CG2 3.17Å; S665-V669 PolarHBondContact O-N 3.03Å
666	A	74.5	Confident	70.5	Confident	59 Å²	59	89.8 Å²	89.8	49%	0.488	49%	0.485	S	S	.	.	H	α-helix	trans	-58.7	-42.8	173.2	0	0	0	0	0	112.4	R662 K664 V669 A670	R662-A666 WeakPolarHBondContact O-CB 3.32Å; R662-A666 PolarHBondContact O-N 3.36Å; K664-A666 PolarHBondContact O-N 3Å; A666-V669 PolarHBondContact O-N 3.1Å; A666-A670 VanDerWaalsContact O-CB 3.29Å; A666-A670 WeakPolarHBondContact O-CB 3.47Å; A666-A670 PolarHBondContact O-N 3.35Å
667	K	79	Confident	71	Confident	165 Å²	165	90.8 Å²	90.8	72%	0.717	49%	0.487	S	S	*	.	H	α-helix	trans	-63.3	-42.5	174.4	-73.9	179.7	178.1	-178.3	0	112.1	A663 K664 S665 A670 S671	A663-K667 WeakPolarHBondContact O-CG 3.22Å; A663-K667 PolarHBondContact O-N 3.17Å; K664-K667 PolarHBondContact O-N 3.25Å; S665-K667 VanDerWaalsContact C-N 3.34Å; S665-K667 PolarHBondContact O-N 2.97Å; K667-A670 PolarHBondContact O-N 3.11Å; K667-S671 WeakPolarHBondContact O-CB 3.31Å; K667-S671 PolarHBondContact O-N 3.26Å
668	S	71.8	Confident	71.1	Confident	61 Å²	61	90.5 Å²	90.5	43%	0.427	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-43.8	176.4	-61.5	0	0	0	0	112.8	K664 S665 S671 L672	K664-S668 PolarHBondContact O-N 3.31Å; K664-S668 VanDerWaalsContact O-N 3.08Å; K664-S668 PolarHBondContact O-OG 3.43Å; S665-S668 PolarHBondContact O-N 3.14Å; S668-S671 PolarHBondContact O-N 2.83Å; S668-L672 WeakPolarHBondContact O-CG 3.47Å; S668-L672 PolarHBondContact O-N 2.67Å
669	V	69.8	Low	71.5	Confident	54 Å²	54	92.4 Å²	92.4	33%	0.327	51%	0.512	S	S	.	.	H	α-helix	trans	-67.7	-36.7	177.8	173.9	0	0	0	0	111.5	S665 A666 L672 R673 I687	S665-V669 WeakPolarHBondContact O-CG2 3.17Å; S665-V669 PolarHBondContact O-N 3.03Å; A666-V669 PolarHBondContact O-N 3.1Å; V669-L672 PolarHBondContact O-N 3.07Å; V669-R673 PolarHBondContact O-N 2.84Å; V669-I687 HydrophobicContact CG2-CB 4.24Å; V669-I687 HydrophobicContact CG2-CG2 3.74Å
670	A	75.4	Confident	71.6	Confident	63 Å²	63	86.4 Å²	86.4	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-45	173.3	0	0	0	0	0	112.1	A666 K667 L672 R673	A666-A670 VanDerWaalsContact O-CB 3.29Å; A666-A670 WeakPolarHBondContact O-CB 3.47Å; A666-A670 PolarHBondContact O-N 3.35Å; K667-A670 PolarHBondContact O-N 3.11Å; A670-L672 PolarHBondContact O-N 3.08Å; A670-R673 WeakPolarHBondContact O-CB 3.39Å; A670-R673 PolarHBondContact O-N 3.04Å; A670-R673 VanDerWaalsContact O-N 3.12Å
671	S	74.5	Confident	71.5	Confident	88 Å²	88	87.5 Å²	87.5	62%	0.615	49%	0.487	S	S	*	.	H	α-helix	trans	-58.2	-46.5	174.2	175.3	0	0	0	0	112	K667 S668 R673	K667-S671 WeakPolarHBondContact O-CB 3.31Å; K667-S671 PolarHBondContact O-N 3.26Å; S668-S671 PolarHBondContact O-N 2.83Å; S671-R673 PolarHBondContact O-N 3.17Å
672	L	68.3	Low	71.9	Confident	18 Å²	18	92.2 Å²	92.2	9%	0.094	50%	0.498	C	S	.	.	H	α-helix	trans	-65.1	-17.6	177.5	-73.2	169	0	0	0	113.6	S668 V669 A670 N674 Q675 A680 M683 R684 I687	S668-L672 WeakPolarHBondContact O-CG 3.47Å; S668-L672 PolarHBondContact O-N 2.67Å; V669-L672 PolarHBondContact O-N 3.07Å; A670-L672 PolarHBondContact O-N 3.08Å; L672-N674 VanDerWaalsContact C-N 3.29Å; L672-N674 PolarHBondContact O-N 3.44Å; L672-Q675 PolarHBondContact O-N 2.74Å; L672-Q675 VanDerWaalsContact O-N 3.11Å; L672-A680 HydrophobicContact CD2-CB 4.14Å; L672-M683 HydrophobicContact CD1-CB 4.21Å; L672-M683 HydrophobicContact CD1-CG 4.14Å; L672-M683 HydrophobicContact CD1-SD 4.21Å; L672-M683 HydrophobicContact CD2-SD 4.24Å; L672-R684 HydrophobicContact CB-CG 3.74Å; L672-R684 HydrophobicContact CD1-CG 3.89Å; L672-R684 HydrophobicContact CG-CG 4.46Å; L672-R684 VanDerWaalsContact O-CZ 3.29Å; L672-R684 PolarHBondContact O-NE 2.96Å; L672-R684 PolarHBondContact O-NH2 2.95Å; L672-I687 HydrophobicContact CD1-CD1 4.12Å
673	R	65.4	Low	71.9	Confident	192 Å²	192	90.4 Å²	90.4	73%	0.725	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-36.8	-173.1	-169.9	171.5	178.6	145.8	-0.5	113.1	V669 A670 S671 Q675 R684	V669-R673 PolarHBondContact O-N 2.84Å; A670-R673 WeakPolarHBondContact O-CB 3.39Å; A670-R673 PolarHBondContact O-N 3.04Å; A670-R673 VanDerWaalsContact O-N 3.12Å; S671-R673 PolarHBondContact O-N 3.17Å; R673-Q675 VanDerWaalsContact C-N 3.32Å; R673-Q675 PolarHBondContact O-N 2.93Å; R673-R684 PolarHBondContact O-NH2 3.35Å
674	N	68.9	Low	71.7	Confident	155 Å²	155	91.1 Å²	91.1	83%	0.829	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.6	-178.5	-69.6	3.9	0	0	0	113.9	L672	L672-N674 VanDerWaalsContact C-N 3.29Å; L672-N674 PolarHBondContact O-N 3.44Å
675	Q	69.4	Low	71.4	Confident	106 Å²	106	88.3 Å²	88.3	50%	0.495	49%	0.488	S	S	.	.			trans	-96.5	120.6	177.1	-64.7	-176.3	-6.1	0	0	110.6	L672 R673 A680 R684	L672-Q675 PolarHBondContact O-N 2.74Å; L672-Q675 VanDerWaalsContact O-N 3.11Å; R673-Q675 VanDerWaalsContact C-N 3.32Å; R673-Q675 PolarHBondContact O-N 2.93Å; Q675-A680 HydrophobicContact CB-CB 3.79Å; Q675-R684 PolarHBondContact O-NH2 3.23Å
676	S	68.7	Low	71.5	Confident	113 Å²	113	89.5 Å²	89.5	79%	0.79	50%	0.504	S	S	*	.			trans	-87.9	-1	-176.1	52.9	0	0	0	0	114.9
677	S	77.6	Confident	71	Confident	57 Å²	57	89 Å²	89	40%	0.399	49%	0.492	S	S	.	.	S	Bend	trans	-70.4	148.7	-174.7	75	0	0	0	0	113	A679 A680 Q681	S677-A679 PolarHBondContact O-N 3.3Å; S677-A680 WeakPolarHBondContact O-CB 3.13Å; S677-A680 PolarHBondContact O-N 2.64Å; S677-A680 WeakPolarHBondContact OG-CB 3.3Å; S677-A680 PolarHBondContact OG-N 3Å; S677-A680 VanDerWaalsContact OG-N 3.17Å; S677-Q681 PolarHBondContact O-N 3.32Å
678	V	69.2	Low	70.3	Confident	85 Å²	85	84.5 Å²	84.5	52%	0.515	48%	0.482	S	S	.	.	H	α-helix	trans	-57.9	-32.7	175.4	-179.9	0	0	0	0	111.6	Q681 R682	V678-Q681 PolarHBondContact O-N 3.14Å; V678-R682 WeakPolarHBondContact O-CG 3.37Å; V678-R682 PolarHBondContact O-N 3.38Å
679	A	70.9	Confident	70	Confident	70 Å²	70	88.9 Å²	88.9	58%	0.579	49%	0.49	S	S	*	.	H	α-helix	trans	-64	-46.9	173.3	0	0	0	0	0	112	S677 Q681 R682 M683	S677-A679 PolarHBondContact O-N 3.3Å; A679-Q681 VanDerWaalsContact C-N 3.33Å; A679-Q681 PolarHBondContact O-N 3.05Å; A679-R682 PolarHBondContact O-N 2.89Å; A679-M683 WeakPolarHBondContact O-CB 3.26Å; A679-M683 PolarHBondContact O-N 3.06Å
680	A	70.9	Confident	69.6	Low	3 Å²	3	87.8 Å²	87.8	3%	0.025	49%	0.489	C	S	.	.	H	α-helix	trans	-62.7	-39.1	176.6	0	0	0	0	0	111.9	L672 Q675 S677 M683 R684	L672-A680 HydrophobicContact CD2-CB 4.14Å; Q675-A680 HydrophobicContact CB-CB 3.79Å; S677-A680 WeakPolarHBondContact O-CB 3.13Å; S677-A680 PolarHBondContact O-N 2.64Å; S677-A680 WeakPolarHBondContact OG-CB 3.3Å; S677-A680 PolarHBondContact OG-N 3Å; S677-A680 VanDerWaalsContact OG-N 3.17Å; A680-M683 PolarHBondContact O-N 3.07Å; A680-R684 WeakPolarHBondContact O-CG 3.25Å; A680-R684 PolarHBondContact O-N 3.5Å
681	Q	70.5	Confident	69	Low	110 Å²	110	86.6 Å²	86.6	51%	0.514	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-49.7	175.2	-69.6	178.5	-14.6	0	0	112.3	S677 V678 A679 M683 R684 A685	S677-Q681 PolarHBondContact O-N 3.32Å; V678-Q681 PolarHBondContact O-N 3.14Å; A679-Q681 VanDerWaalsContact C-N 3.33Å; A679-Q681 PolarHBondContact O-N 3.05Å; Q681-M683 VanDerWaalsContact C-N 3.3Å; Q681-M683 PolarHBondContact O-N 2.97Å; Q681-R684 PolarHBondContact O-N 3.08Å; Q681-A685 PolarHBondContact O-N 3.36Å; Q681-A685 VanDerWaalsContact O-N 3.11Å
682	R	74.1	Confident	68.3	Low	191 Å²	191	86.8 Å²	86.8	72%	0.721	47%	0.467	S	S	*	.	H	α-helix	trans	-59.8	-40	176	-72.5	176.5	179.4	160.9	0.4	112	V678 A679 A685 G686	V678-R682 WeakPolarHBondContact O-CG 3.37Å; V678-R682 PolarHBondContact O-N 3.38Å; A679-R682 PolarHBondContact O-N 2.89Å; R682-A685 PolarHBondContact O-N 3.44Å; R682-G686 PolarHBondContact O-N 3.33Å; R682-G686 VanDerWaalsContact O-N 3.09Å
683	M	70.4	Confident	67.8	Low	118 Å²	118	91.5 Å²	91.5	58%	0.581	49%	0.488	S	S	*	.	H	α-helix	trans	-65	-40.5	178.4	-160	178.1	-149.3	0	0	112.4	L672 A679 A680 Q681 I687	L672-M683 HydrophobicContact CD1-CB 4.21Å; L672-M683 HydrophobicContact CD1-CG 4.14Å; L672-M683 HydrophobicContact CD1-SD 4.21Å; L672-M683 HydrophobicContact CD2-SD 4.24Å; A679-M683 WeakPolarHBondContact O-CB 3.26Å; A679-M683 PolarHBondContact O-N 3.06Å; A680-M683 PolarHBondContact O-N 3.07Å; Q681-M683 VanDerWaalsContact C-N 3.3Å; Q681-M683 PolarHBondContact O-N 2.97Å; M683-I687 HydrophobicContact CG-CD1 4.38Å; M683-I687 WeakPolarHBondContact O-CD1 3.35Å; M683-I687 VanDerWaalsContact O-CG1 3.29Å; M683-I687 WeakPolarHBondContact O-CG1 3.4Å; M683-I687 PolarHBondContact O-N 3.02Å
684	R	71.1	Confident	67.2	Low	68 Å²	68	87.9 Å²	87.9	26%	0.257	48%	0.481	S	S	.	.	H	α-helix	trans	-60.5	-46.8	172.4	-67.4	-178.9	-144.1	168.4	3.2	111.5	L672 R673 Q675 A680 Q681 G686 I687 S688	L672-R684 HydrophobicContact CB-CG 3.74Å; L672-R684 HydrophobicContact CD1-CG 3.89Å; L672-R684 HydrophobicContact CG-CG 4.46Å; L672-R684 VanDerWaalsContact O-CZ 3.29Å; L672-R684 PolarHBondContact O-NE 2.96Å; L672-R684 PolarHBondContact O-NH2 2.95Å; R673-R684 PolarHBondContact O-NH2 3.35Å; Q675-R684 PolarHBondContact O-NH2 3.23Å; A680-R684 WeakPolarHBondContact O-CG 3.25Å; A680-R684 PolarHBondContact O-N 3.5Å; Q681-R684 PolarHBondContact O-N 3.08Å; R684-G686 PolarHBondContact O-N 3.12Å; R684-I687 PolarHBondContact O-N 2.97Å; R684-S688 PolarHBondContact O-N 3.45Å; R684-S688 PolarHBondContact O-OG 3.49Å
685	A	69.8	Low	66.5	Low	55 Å²	55	84.5 Å²	84.5	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-60.4	-45.1	-177.4	0	0	0	0	0	112.6	Q681 R682 I687 S688 Y689	Q681-A685 PolarHBondContact O-N 3.36Å; Q681-A685 VanDerWaalsContact O-N 3.11Å; R682-A685 PolarHBondContact O-N 3.44Å; A685-I687 PolarHBondContact O-N 3.45Å; A685-S688 WeakPolarHBondContact CA-OG 3.49Å; A685-S688 PolarHBondContact O-N 3.04Å; A685-S688 PolarHBondContact O-OG 3.28Å; A685-Y689 PolarHBondContact O-N 2.96Å
686	G	70.7	Confident	65.6	Low	49 Å²	49	82.9 Å²	82.9	51%	0.505	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-39.4	175.6	0	0	0	0	0	113.3	R682 R684 Y689 G690	R682-G686 PolarHBondContact O-N 3.33Å; R682-G686 VanDerWaalsContact O-N 3.09Å; R684-G686 PolarHBondContact O-N 3.12Å; G686-Y689 PolarHBondContact O-N 3.38Å; G686-G690 PolarHBondContact O-N 3.41Å
687	I	65.1	Low	64.6	Low	49 Å²	49	79.8 Å²	79.8	25%	0.251	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-40.6	176.4	-66.7	165.3	0	0	0	111.3	V669 L672 M683 R684 A685 V691	V669-I687 HydrophobicContact CG2-CB 4.24Å; V669-I687 HydrophobicContact CG2-CG2 3.74Å; L672-I687 HydrophobicContact CD1-CD1 4.12Å; M683-I687 HydrophobicContact CG-CD1 4.38Å; M683-I687 WeakPolarHBondContact O-CD1 3.35Å; M683-I687 VanDerWaalsContact O-CG1 3.29Å; M683-I687 WeakPolarHBondContact O-CG1 3.4Å; M683-I687 PolarHBondContact O-N 3.02Å; R684-I687 PolarHBondContact O-N 2.97Å; A685-I687 PolarHBondContact O-N 3.45Å; I687-V691 WeakPolarHBondContact O-CG2 3.39Å
688	S	64	Low	63.3	Low	70 Å²	70	80 Å²	80	49%	0.49	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-41.2	175.5	39.1	0	0	0	0	113.1	R684 A685 V691 E692	R684-S688 PolarHBondContact O-N 3.45Å; R684-S688 PolarHBondContact O-OG 3.49Å; A685-S688 WeakPolarHBondContact CA-OG 3.49Å; A685-S688 PolarHBondContact O-N 3.04Å; A685-S688 PolarHBondContact O-OG 3.28Å; S688-V691 PolarHBondContact O-N 2.88Å; S688-E692 PolarHBondContact O-N 2.88Å
689	Y	66.3	Low	62.4	Low	153 Å²	153	82.7 Å²	82.7	60%	0.6	44%	0.436	S	S	*	.	H	α-helix	trans	-63.8	-45.5	-177.3	-175.5	-98.9	0	0	0	112.4	A685 G686 V691 E692 Q693	A685-Y689 PolarHBondContact O-N 2.96Å; G686-Y689 PolarHBondContact O-N 3.38Å; Y689-V691 PolarHBondContact O-N 3.27Å; Y689-E692 PolarHBondContact O-N 3.11Å; Y689-Q693 HydrophobicContact CD1-CG 4.49Å; Y689-Q693 HydrophobicContact CE1-CG 3.97Å; Y689-Q693 PolarHBondContact O-N 2.64Å; Y689-Q693 VanDerWaalsContact O-N 3.14Å; Y689-Q693 PolarHBondContact OH-NE2 3.39Å
690	G	60	Low	61.3	Low	31 Å²	31	80.5 Å²	80.5	32%	0.32	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-23.5	178.6	0	0	0	0	0	114.6	G686	G686-G690 PolarHBondContact O-N 3.41Å
691	V	63.4	Low	60.4	Low	37 Å²	37	81.5 Å²	81.5	22%	0.224	42%	0.422	C	S	.	.	H	α-helix	trans	-80	-32.3	176.3	173.6	0	0	0	0	111.9	F658 I687 S688 Y689 K695	F658-V691 HydrophobicContact CE2-CG1 4.32Å; F658-V691 HydrophobicContact CZ-CG1 4.21Å; I687-V691 WeakPolarHBondContact O-CG2 3.39Å; S688-V691 PolarHBondContact O-N 2.88Å; Y689-V691 PolarHBondContact O-N 3.27Å; V691-K695 PolarHBondContact O-N 3.2Å
692	E	60.4	Low	59.4	Low	92 Å²	92	79 Å²	79	43%	0.43	42%	0.42	S	S	.	.	H	α-helix	trans	-73.6	-43.2	175	-75.1	-73.7	128.9	0	0	111.7	S688 Y689 M694 K695 D696	S688-E692 PolarHBondContact O-N 2.88Å; Y689-E692 PolarHBondContact O-N 3.11Å; E692-M694 VanDerWaalsContact C-N 3.29Å; E692-M694 PolarHBondContact O-N 2.94Å; E692-K695 WeakPolarHBondContact O-CB 3.45Å; E692-K695 PolarHBondContact O-N 3.05Å; E692-K695 VanDerWaalsContact OE1-CD 3.28Å; E692-K695 WeakPolarHBondContact OE1-CD 3.22Å; E692-K695 IonicContact OE1-NZ 3.83Å; E692-K695 PolarHBondContact OE1-NZ 2.98Å; E692-K695 IonicContact OE2-NZ 3.65Å; E692-K695 PolarHBondContact OE2-NZ 3.09Å; E692-D696 PolarHBondContact O-N 2.96Å
693	Q	56.5	Low	58.2	Low	117 Å²	117	74.1 Å²	74.1	55%	0.547	41%	0.405	S	S	.	.	H	α-helix	trans	-55.1	-40.7	176	-82	-167.7	-33.4	0	0	113.4	Y689 K695 G697	Y689-Q693 HydrophobicContact CD1-CG 4.49Å; Y689-Q693 HydrophobicContact CE1-CG 3.97Å; Y689-Q693 PolarHBondContact O-N 2.64Å; Y689-Q693 VanDerWaalsContact O-N 3.14Å; Y689-Q693 PolarHBondContact OH-NE2 3.39Å; Q693-K695 VanDerWaalsContact C-N 3.31Å; Q693-K695 PolarHBondContact O-N 3.46Å; Q693-G697 PolarHBondContact O-N 2.92Å
694	M	53	Low	57.1	Low	116 Å²	116	71.4 Å²	71.4	57%	0.571	39%	0.393	S	S	*	.	H	α-helix	trans	-69.7	-27.7	177.1	-71	-172.6	174.4	0	0	113.4	F658 E692 M698	F658-M694 HydrophobicContact CE2-CB 4.2Å; E692-M694 VanDerWaalsContact C-N 3.29Å; E692-M694 PolarHBondContact O-N 2.94Å; M694-M698 WeakPolarHBondContact O-CG 3.28Å; M694-M698 PolarHBondContact O-N 3.31Å; M694-M698 VanDerWaalsContact O-N 3.12Å
695	K	55.1	Low	56.1	Low	84 Å²	84	70.9 Å²	70.9	37%	0.365	40%	0.399	S	S	.	.	H	α-helix	trans	-73.3	-38	-179.3	159.3	-162	166.9	-157.8	0	111.3	V691 E692 Q693 M698 R699	V691-K695 PolarHBondContact O-N 3.2Å; E692-K695 WeakPolarHBondContact O-CB 3.45Å; E692-K695 PolarHBondContact O-N 3.05Å; E692-K695 VanDerWaalsContact OE1-CD 3.28Å; E692-K695 WeakPolarHBondContact OE1-CD 3.22Å; E692-K695 IonicContact OE1-NZ 3.83Å; E692-K695 PolarHBondContact OE1-NZ 2.98Å; E692-K695 IonicContact OE2-NZ 3.65Å; E692-K695 PolarHBondContact OE2-NZ 3.09Å; Q693-K695 VanDerWaalsContact C-N 3.31Å; Q693-K695 PolarHBondContact O-N 3.46Å; K695-M698 PolarHBondContact O-N 3.41Å; K695-R699 PolarHBondContact O-N 3.43Å
696	D	49.2	Very low	54.9	Low	73 Å²	73	70.9 Å²	70.9	39%	0.39	40%	0.404	S	S	.	.	H	α-helix	trans	-72	-35.3	175.2	-66.6	-44.4	0	0	0	111.9	E692 M698 R699 S700	E692-D696 PolarHBondContact O-N 2.96Å; D696-M698 VanDerWaalsContact C-N 3.31Å; D696-M698 PolarHBondContact O-N 3.31Å; D696-R699 WeakPolarHBondContact O-CA 3.43Å; D696-R699 WeakPolarHBondContact O-CB 3.36Å; D696-R699 PolarHBondContact O-N 3.41Å; D696-R699 IonicContact OD1-CZ 2.66Å; D696-R699 IonicContact OD1-NH1 2.76Å; D696-R699 PolarHBondContact OD1-NH1 3.05Å; D696-S700 PolarHBondContact O-N 3.36Å
697	G	49.4	Very low	53.5	Low	47 Å²	47	72.6 Å²	72.6	49%	0.485	41%	0.414	S	S	.	.	H	α-helix	trans	-59.2	-38	168.1	0	0	0	0	0	113.6	Q693 R699	Q693-G697 PolarHBondContact O-N 2.92Å; G697-R699 VanDerWaalsContact C-N 3.25Å; G697-R699 PolarHBondContact O-N 3.29Å
698	M	49.7	Very low	52.3	Low	63 Å²	63	73 Å²	73	31%	0.31	42%	0.421	S	S	.	.	H	α-helix	trans	-70.2	-18.6	172.3	-75.5	-169.2	171	0	0	114	L654 F658 M694 K695 D696 A702	L654-M698 HydrophobicContact CB-CE 4Å; F658-M698 HydrophobicContact CB-CE 3.7Å; F658-M698 HydrophobicContact CD1-SD 4.36Å; F658-M698 HydrophobicContact CD2-CE 4.45Å; F658-M698 HydrophobicContact CG-CE 4.04Å; F658-M698 HydrophobicContact CG-SD 4.28Å; M694-M698 WeakPolarHBondContact O-CG 3.28Å; M694-M698 PolarHBondContact O-N 3.31Å; M694-M698 VanDerWaalsContact O-N 3.12Å; K695-M698 PolarHBondContact O-N 3.41Å; D696-M698 VanDerWaalsContact C-N 3.31Å; D696-M698 PolarHBondContact O-N 3.31Å; M698-A702 PolarHBondContact O-N 2.9Å
699	R	49.4	Very low	51.3	Low	140 Å²	140	80.1 Å²	80.1	53%	0.528	44%	0.437	S	S	.	.	H	α-helix	trans	-75.9	-48.8	-176.5	-151.7	-180	-161.4	155.2	-8.4	111.3	K695 D696 G697 V701 A702 E703	K695-R699 PolarHBondContact O-N 3.43Å; D696-R699 WeakPolarHBondContact O-CA 3.43Å; D696-R699 WeakPolarHBondContact O-CB 3.36Å; D696-R699 PolarHBondContact O-N 3.41Å; D696-R699 IonicContact OD1-CZ 2.66Å; D696-R699 IonicContact OD1-NH1 2.76Å; D696-R699 PolarHBondContact OD1-NH1 3.05Å; G697-R699 VanDerWaalsContact C-N 3.25Å; G697-R699 PolarHBondContact O-N 3.29Å; R699-V701 VanDerWaalsContact C-N 3.29Å; R699-V701 PolarHBondContact O-N 3.32Å; R699-A702 WeakPolarHBondContact O-CA 3.44Å; R699-A702 WeakPolarHBondContact O-CB 3.42Å; R699-A702 PolarHBondContact O-N 3.42Å; R699-E703 PolarHBondContact O-N 3.13Å
700	S	49	Very low	50.3	Low	24 Å²	24	77.8 Å²	77.8	17%	0.168	44%	0.439	C	S	.	.	H	α-helix	trans	-55.2	-42.5	175.1	175.1	0	0	0	0	112.3	D696 A702 E703 L704	D696-S700 PolarHBondContact O-N 3.36Å; S700-A702 VanDerWaalsContact C-N 3.32Å; S700-A702 PolarHBondContact O-N 2.92Å; S700-E703 PolarHBondContact O-N 3Å; S700-L704 WeakPolarHBondContact O-CD1 3.32Å; S700-L704 PolarHBondContact O-N 3.11Å
701	V	50.6	Low	49.8	Very low	25 Å²	25	80.4 Å²	80.4	15%	0.152	45%	0.445	C	S	.	.	H	α-helix	trans	-67.2	-33	177.3	-172.8	0	0	0	0	112.1	V647 V651 R699 E703 C705	V647-V701 HydrophobicContact CG1-CG1 3.46Å; V647-V701 VanDerWaalsContact CG1-CG1 3.46Å; V651-V701 HydrophobicContact CG2-CG1 3.54Å; R699-V701 VanDerWaalsContact C-N 3.29Å; R699-V701 PolarHBondContact O-N 3.32Å; V701-E703 VanDerWaalsContact C-N 3.34Å; V701-C705 WeakPolarHBondContact O-CB 3.4Å; V701-C705 PolarHBondContact O-N 3.3Å; V701-C705 VanDerWaalsContact O-N 3.15Å; V701-C705 PolarHBondContact O-SG 3.14Å
702	A	49.1	Very low	49.2	Very low	57 Å²	57	79 Å²	79	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-71.6	-28.4	174.3	0	0	0	0	0	112.8	M698 R699 S700	M698-A702 PolarHBondContact O-N 2.9Å; R699-A702 WeakPolarHBondContact O-CA 3.44Å; R699-A702 WeakPolarHBondContact O-CB 3.42Å; R699-A702 PolarHBondContact O-N 3.42Å; S700-A702 VanDerWaalsContact C-N 3.32Å; S700-A702 PolarHBondContact O-N 2.92Å
703	E	49.4	Very low	48.8	Very low	88 Å²	88	78.4 Å²	78.4	41%	0.411	43%	0.434	S	S	.	.	I	π-helix	trans	-69	-45.6	176.7	-75	152.7	-172.2	0	0	111.4	R699 S700 V701 G706 A707 S708	R699-E703 PolarHBondContact O-N 3.13Å; S700-E703 PolarHBondContact O-N 3Å; V701-E703 VanDerWaalsContact C-N 3.34Å; E703-G706 PolarHBondContact O-N 3.2Å; E703-A707 PolarHBondContact O-N 3.43Å; E703-S708 PolarHBondContact O-N 2.83Å
704	L	48.4	Very low	48.8	Very low	62 Å²	62	74.1 Å²	74.1	33%	0.325	42%	0.416	S	S	.	.	I	π-helix	trans	-65	-35.3	171.8	-83.9	117	0	0	0	113.8	V408 V600 S700 G706	V408-L704 HydrophobicContact CG1-CD1 3.73Å; V408-L704 HydrophobicContact CG1-CD2 4.05Å; V408-L704 HydrophobicContact CG1-CG 4.47Å; V600-L704 HydrophobicContact CG1-CD2 3.78Å; V600-L704 HydrophobicContact CG2-CD2 4.22Å; S700-L704 WeakPolarHBondContact O-CD1 3.32Å; S700-L704 PolarHBondContact O-N 3.11Å; L704-G706 PolarHBondContact O-N 3.1Å
705	C	50.5	Low	49.2	Very low	56 Å²	56	68.9 Å²	68.9	38%	0.378	39%	0.391	S	S	.	.	I	π-helix	trans	-76.9	18.4	178.4	-71.9	0	0	0	0	114.6	V701	V701-C705 WeakPolarHBondContact O-CB 3.4Å; V701-C705 PolarHBondContact O-N 3.3Å; V701-C705 VanDerWaalsContact O-N 3.15Å; V701-C705 PolarHBondContact O-SG 3.14Å
706	G	43.5	Very low	49.4	Very low	55 Å²	55	66.1 Å²	66.1	57%	0.567	38%	0.382	S	S	*	.	I	π-helix	trans	120.2	12.4	164.1	0	0	0	0	0	116.8	E703 L704	E703-G706 PolarHBondContact O-N 3.2Å; L704-G706 PolarHBondContact O-N 3.1Å
707	A	41.4	Very low	50	Low	85 Å²	85	62.7 Å²	62.7	70%	0.702	36%	0.363	S	S	*	.	I	π-helix	trans	-91	-25.7	170.9	0	0	0	0	0	113.2	E703	E703-A707 PolarHBondContact O-N 3.43Å
708	S	41.1	Very low	50.6	Low	57 Å²	57	60.7 Å²	60.7	40%	0.399	34%	0.342	S	S	.	.			trans	-101.7	154	163.8	-170.6	0	0	0	0	111	E703 T710	E703-S708 PolarHBondContact O-N 2.83Å; S708-T710 PolarHBondContact OG-N 2.97Å; S708-T710 PolarHBondContact OG-OG1 2.88Å
709	R	42	Very low	51.4	Low	221 Å²	221	57.8 Å²	57.8	83%	0.834	33%	0.328	S	S	*	.			trans	-101.6	-7.2	176.3	-77.1	-176.1	173	163.9	-2.8	114
710	T	44.9	Very low	51.8	Low	104 Å²	104	53.7 Å²	53.7	64%	0.638	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-100.2	122.1	-177.8	53.8	0	0	0	0	110.7	S708	S708-T710 PolarHBondContact OG-N 2.97Å; S708-T710 PolarHBondContact OG-OG1 2.88Å
711	I	49.2	Very low	52.7	Low	86 Å²	86	57.5 Å²	57.5	44%	0.441	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-88.7	147	162.6	-50.9	177.5	0	0	0	107.3	I715 F739	I711-I715 HydrophobicContact CG2-CD1 4.26Å; I711-I715 HydrophobicContact CG2-CG1 4.39Å; I711-F739 HydrophobicContact CB-CE2 4.11Å; I711-F739 HydrophobicContact CB-CZ 4.3Å; I711-F739 HydrophobicContact CD1-CZ 3.98Å; I711-F739 HydrophobicContact CG2-CD2 4.36Å; I711-F739 HydrophobicContact CG2-CE2 3.49Å; I711-F739 VanDerWaalsContact CG2-CE2 3.49Å; I711-F739 HydrophobicContact CG2-CZ 3.93Å
712	G	50.6	Low	53.3	Low	6 Å²	6	59.6 Å²	59.6	6%	0.062	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64	164.1	175.4	0	0	0	0	0	112.5	A598 T714 F739	A598-G712 WeakPolarHBondContact O-CA 3.42Å; G712-T714 VanDerWaalsContact C-N 3.26Å; G712-T714 PolarHBondContact O-N 3.09Å; G712-F739 WeakPolarHBondContact O-CD2 3.24Å
713	Q	52.5	Low	54.1	Low	80 Å²	80	58 Å²	58	37%	0.374	33%	0.326	S	S	.	.	S	Bend	trans	-63.9	-33	-178.2	-65.3	-165.7	-107.6	0	0	112.2	S597 V738 F739	S597-Q713 PolarHBondContact OG-OE1 2.86Å; Q713-V738 WeakPolarHBondContact O-CA 3.46Å; Q713-F739 PolarHBondContact O-N 3.46Å
714	T	56	Low	55.1	Low	28 Å²	28	62.3 Å²	62.3	17%	0.172	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.3	179	-27.2	0	0	0	0	112.5	D599 V600 G712 D736 F737 V738	D599-T714 WeakPolarHBondContact OD1-CA 3.36Å; D599-T714 WeakPolarHBondContact OD1-CB 3.41Å; D599-T714 PolarHBondContact OD1-N 3.2Å; D599-T714 PolarHBondContact OD1-OG1 3.2Å; V600-T714 PolarHBondContact N-O 3.17Å; G712-T714 VanDerWaalsContact C-N 3.26Å; G712-T714 PolarHBondContact O-N 3.09Å; T714-D736 HydrophobicContact CG2-CB 4.26Å; T714-F737 CarbonylContact C-O 3.2Å; T714-F737 WeakPolarHBondContact CA-O 3.18Å; T714-V738 HydrophobicContact CG2-CG2 4.14Å
715	I	62.7	Low	56.2	Low	6 Å²	6	68 Å²	68	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.9	162	-62.8	175.9	0	0	0	108.2	V600 L602 L617 F639 I711 D736 F737 F739	V600-I715 HydrophobicContact CB-CG1 4.37Å; V600-I715 WeakPolarHBondContact O-CA 3.35Å; L602-I715 HydrophobicContact CD1-CG2 3.54Å; L602-I715 HydrophobicContact CG-CG2 3.88Å; L617-I715 HydrophobicContact CD1-CG2 4.13Å; L617-I715 HydrophobicContact CD2-CD1 4.33Å; L617-I715 HydrophobicContact CD2-CG2 4.49Å; F639-I715 HydrophobicContact CE1-CD1 3.98Å; F639-I715 HydrophobicContact CZ-CD1 4.17Å; I711-I715 HydrophobicContact CG2-CD1 4.26Å; I711-I715 HydrophobicContact CG2-CG1 4.39Å; I715-D736 CarbonylContact O-C 3.6Å; I715-D736 WeakPolarHBondContact O-CA 3.24Å; I715-F737 PolarHBondContact N-O 3.22Å; I715-F737 PolarHBondContact O-N 2.84Å; I715-F739 HydrophobicContact CD1-CE2 3.62Å; I715-F739 HydrophobicContact CD1-CZ 3.92Å; I715-F739 HydrophobicContact CG1-CE2 3.91Å
716	S	58.1	Low	57.4	Low	26 Å²	26	69.7 Å²	69.7	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115	177.1	-53.9	0	0	0	0	111	V600 K601 L602	V600-S716 PolarHBondContact O-N 3.12Å; K601-S716 CarbonylContact C-O 3.59Å; K601-S716 WeakPolarHBondContact CA-O 3.44Å; L602-S716 PolarHBondContact N-O 3.11Å
717	V	62.3	Low	58.3	Low	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.3	174.9	-176.3	0	0	0	0	109.7	L602 V604 A610 L617 I734 S735	L602-V717 HydrophobicContact CB-CG2 4.44Å; L602-V717 HydrophobicContact CD1-CG2 4.38Å; V604-V717 HydrophobicContact CG2-CG1 4.23Å; A610-V717 HydrophobicContact CB-CG1 4.06Å; L617-V717 HydrophobicContact CD1-CG2 3.57Å; V717-I734 HydrophobicContact CG1-CB 4.39Å; V717-I734 HydrophobicContact CG1-CG2 4.38Å; V717-I734 PolarHBondContact O-N 2.85Å; V717-S735 PolarHBondContact N-O 3.16Å; V717-S735 PolarHBondContact O-N 2.89Å
718	V	61.8	Low	59	Low	6 Å²	6	74.2 Å²	74.2	4%	0.036	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124	-176.1	178.6	0	0	0	0	109.5	K601 L602 V603 V604 E731 K732	K601-V718 HydrophobicContact CD-CG2 4.48Å; K601-V718 HydrophobicContact CG-CB 4.49Å; K601-V718 HydrophobicContact CG-CG2 4.01Å; L602-V718 PolarHBondContact O-N 3.37Å; V603-V718 CarbonylContact C-O 3.54Å; V603-V718 WeakPolarHBondContact CA-O 3.47Å; V604-V718 PolarHBondContact N-O 3.43Å; V718-E731 HydrophobicContact CG1-CB 3.72Å; V718-E731 HydrophobicContact CG1-CG 4.11Å; V718-K732 CarbonylContact C-O 3.59Å; V718-K732 WeakPolarHBondContact CA-O 3.32Å
719	S	66.2	Low	59.6	Low	2 Å²	2	79.2 Å²	79.2	1%	0.014	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	150.3	168.8	69.5	0	0	0	0	111	V604 K732 I734	V604-S719 WeakPolarHBondContact O-CA 3.47Å; S719-K732 PolarHBondContact N-O 2.81Å; S719-K732 PolarHBondContact O-N 2.95Å; S719-I734 WeakPolarHBondContact OG-CD1 3.4Å
720	V	59.6	Low	60.6	Low	53 Å²	53	73.7 Å²	73.7	32%	0.321	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.6	173.5	177.5	0	0	0	0	108.9	V603 K729 R730 E731	V603-V720 HydrophobicContact CG1-CG2 3.5Å; V720-K729 HydrophobicContact CG1-CB 3.99Å; V720-K729 HydrophobicContact CG1-CD 4.32Å; V720-K729 HydrophobicContact CG1-CG 4.26Å; V720-R730 WeakPolarHBondContact CA-O 3.23Å; V720-E731 HydrophobicContact CG2-CG 4.4Å
721	Y	67.9	Low	61.6	Low	105 Å²	105	73.8 Å²	73.8	41%	0.412	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	161.6	173.3	71.2	-78.9	0	0	0	110.3	K729 R730 K732	Y721-K729 CarbonylContact O-C 3.55Å; Y721-K729 WeakPolarHBondContact O-CA 3.44Å; Y721-R730 HydrophobicContact CD1-CB 4.06Å; Y721-R730 WeakPolarHBondContact CD1-O 3.25Å; Y721-R730 HydrophobicContact CD2-CB 4.49Å; Y721-R730 HydrophobicContact CE1-CB 3.5Å; Y721-R730 HydrophobicContact CE2-CB 4.01Å; Y721-R730 VanDerWaalsContact CZ-CB 3.49Å; Y721-R730 PolarHBondContact N-O 3.31Å; Y721-R730 PolarHBondContact O-N 3.37Å; Y721-R730 VanDerWaalsContact OH-CD 3.32Å; Y721-R730 WeakPolarHBondContact OH-CD 3.37Å; Y721-K732 HydrophobicContact CD1-CB 3.99Å; Y721-K732 HydrophobicContact CE1-CB 3.95Å
722	V	63.2	Low	62.6	Low	68 Å²	68	74.2 Å²	74.2	41%	0.412	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.2	170.4	179.7	0	0	0	0	107.1	E724 K729	V722-E724 PolarHBondContact O-N 3.1Å; V722-K729 HydrophobicContact CG2-CG 4.22Å
723	D	64.1	Low	63.3	Low	25 Å²	25	78.9 Å²	78.9	13%	0.134	37%	0.373	C	S	.	.			trans	-69.3	119.5	170.1	-170.7	-24.4	0	0	0	108.9	K725 D726 Q727 I728 R730	D723-K725 PolarHBondContact O-N 3.27Å; D723-K725 WeakPolarHBondContact OD1-CB 3.47Å; D723-K725 PolarHBondContact OD1-N 3.44Å; D723-D726 PolarHBondContact O-N 3.49Å; D723-Q727 VanDerWaalsContact O-CA 3.26Å; D723-Q727 WeakPolarHBondContact O-CA 3.41Å; D723-Q727 PolarHBondContact O-N 2.92Å; D723-I728 PolarHBondContact N-O 2.9Å; D723-R730 HydrophobicContact CB-CG 4.36Å; D723-R730 IonicContact OD2-CZ 2.7Å; D723-R730 IonicContact OD2-NE 3Å; D723-R730 PolarHBondContact OD2-NE 3.49Å; D723-R730 IonicContact OD2-NH2 3.82Å; D723-R730 PolarHBondContact OD2-NH2 2.99Å
724	E	70.5	Confident	63.9	Low	177 Å²	177	77.2 Å²	77.2	83%	0.827	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.6	-176.7	-62.1	-165.8	135.9	0	0	112.8	V722 Q727	V722-E724 PolarHBondContact O-N 3.1Å; E724-Q727 PolarHBondContact O-NE2 2.89Å; E724-Q727 VanDerWaalsContact O-NE2 3.09Å
725	K	71.9	Confident	64.2	Low	183 Å²	183	76.4 Å²	76.4	80%	0.796	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-51.3	-177.5	-64.2	178.5	-179.7	177.3	0	112.1	D723	D723-K725 PolarHBondContact O-N 3.27Å; D723-K725 WeakPolarHBondContact OD1-CB 3.47Å; D723-K725 PolarHBondContact OD1-N 3.44Å
726	D	75.5	Confident	64.2	Low	91 Å²	91	81.2 Å²	81.2	49%	0.487	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-8.7	-167.5	-52.5	-34.6	0	0	0	112.6	D723 I728 R730	D723-D726 PolarHBondContact O-N 3.49Å; D726-I728 HydrophobicContact CB-CB 4.2Å; D726-I728 HydrophobicContact CB-CD1 3.66Å; D726-I728 HydrophobicContact CB-CG1 3.72Å; D726-I728 PolarHBondContact O-N 3.31Å; D726-I728 VanDerWaalsContact O-N 3.13Å; D726-R730 IonicContact OD2-NH2 2.81Å
727	Q	62.1	Low	64.4	Low	139 Å²	139	80.9 Å²	80.9	65%	0.65	38%	0.383	S	S	*	.			trans	57	16.3	-168	-59.5	-65.7	-60.6	0	0	114	D723 E724	D723-Q727 VanDerWaalsContact O-CA 3.26Å; D723-Q727 WeakPolarHBondContact O-CA 3.41Å; D723-Q727 PolarHBondContact O-N 2.92Å; E724-Q727 PolarHBondContact O-NE2 2.89Å; E724-Q727 VanDerWaalsContact O-NE2 3.09Å
728	I	55.9	Low	64.3	Low	95 Å²	95	85.3 Å²	85.3	49%	0.487	41%	0.409	S	S	.	.			trans	-78.1	133.9	176.7	-65.3	173.1	0	0	0	109.1	D723 D726 R730	D723-I728 PolarHBondContact N-O 2.9Å; D726-I728 HydrophobicContact CB-CB 4.2Å; D726-I728 HydrophobicContact CB-CD1 3.66Å; D726-I728 HydrophobicContact CB-CG1 3.72Å; D726-I728 PolarHBondContact O-N 3.31Å; D726-I728 VanDerWaalsContact O-N 3.13Å; I728-R730 PolarHBondContact O-N 3.2Å
729	K	55.5	Low	63.9	Low	162 Å²	162	90 Å²	90	70%	0.704	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	121	168.9	-70.6	178.2	-179.1	178.3	0	109.3	V720 Y721 V722	V720-K729 HydrophobicContact CG1-CB 3.99Å; V720-K729 HydrophobicContact CG1-CD 4.32Å; V720-K729 HydrophobicContact CG1-CG 4.26Å; Y721-K729 CarbonylContact O-C 3.55Å; Y721-K729 WeakPolarHBondContact O-CA 3.44Å; V722-K729 HydrophobicContact CG2-CG 4.22Å
730	R	62.5	Low	63.8	Low	106 Å²	106	94.5 Å²	94.5	40%	0.4	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.8	172.9	-67.3	-172.8	-168.1	-109.4	4.2	109.9	V720 Y721 D723 D726 I728	V720-R730 WeakPolarHBondContact CA-O 3.23Å; Y721-R730 HydrophobicContact CD1-CB 4.06Å; Y721-R730 WeakPolarHBondContact CD1-O 3.25Å; Y721-R730 HydrophobicContact CD2-CB 4.49Å; Y721-R730 HydrophobicContact CE1-CB 3.5Å; Y721-R730 HydrophobicContact CE2-CB 4.01Å; Y721-R730 VanDerWaalsContact CZ-CB 3.49Å; Y721-R730 PolarHBondContact N-O 3.31Å; Y721-R730 PolarHBondContact O-N 3.37Å; Y721-R730 VanDerWaalsContact OH-CD 3.32Å; Y721-R730 WeakPolarHBondContact OH-CD 3.37Å; D723-R730 HydrophobicContact CB-CG 4.36Å; D723-R730 IonicContact OD2-CZ 2.7Å; D723-R730 IonicContact OD2-NE 3Å; D723-R730 PolarHBondContact OD2-NE 3.49Å; D723-R730 IonicContact OD2-NH2 3.82Å; D723-R730 PolarHBondContact OD2-NH2 2.99Å; D726-R730 IonicContact OD2-NH2 2.81Å; I728-R730 PolarHBondContact O-N 3.2Å
731	E	66.3	Low	64	Low	106 Å²	106	96.6 Å²	96.6	50%	0.495	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.6	173.3	-67.2	-172.9	143.6	0	0	110.2	K601 V718 V720	K601-E731 IonicContact NZ-OE1 3.95Å; K601-E731 PolarHBondContact NZ-OE1 3.47Å; K601-E731 IonicContact NZ-OE2 2.67Å; K601-E731 PolarHBondContact NZ-OE2 3.46Å; V718-E731 HydrophobicContact CG1-CB 3.72Å; V718-E731 HydrophobicContact CG1-CG 4.11Å; V720-E731 HydrophobicContact CG2-CG 4.4Å
732	K	68.9	Low	63.8	Low	95 Å²	95	96.2 Å²	96.2	41%	0.413	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	110.5	174.8	175.7	178.5	174.6	-175.2	0	107.9	E607 V718 S719 Y721	E607-K732 IonicContact OE1-NZ 3.15Å; E607-K732 PolarHBondContact OE1-NZ 3.4Å; V718-K732 CarbonylContact C-O 3.59Å; V718-K732 WeakPolarHBondContact CA-O 3.32Å; S719-K732 PolarHBondContact N-O 2.81Å; S719-K732 PolarHBondContact O-N 2.95Å; Y721-K732 HydrophobicContact CD1-CB 3.99Å; Y721-K732 HydrophobicContact CE1-CB 3.95Å
733	H	65.6	Low	63.9	Low	104 Å²	104	97.8 Å²	97.8	48%	0.481	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	138.1	172.5	-167.4	-105	0	0	0	109.6	D736	H733-D736 PolarHBondContact CE1-N 2.86Å; H733-D736 IonicContact CE1-OD1 3.38Å; H733-D736 PolarHBondContact CE1-OD1 2.99Å
734	I	65.1	Low	63.8	Low	45 Å²	45	102.4 Å²	102.4	23%	0.231	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-48.3	-178.6	-76.7	173.1	0	0	0	110.7	A610 H614 V717 S719	A610-I734 HydrophobicContact CB-CD1 3.37Å; H614-I734 HydrophobicContact CB-CG2 4.13Å; V717-I734 HydrophobicContact CG1-CB 4.39Å; V717-I734 HydrophobicContact CG1-CG2 4.38Å; V717-I734 PolarHBondContact O-N 2.85Å; S719-I734 WeakPolarHBondContact OG-CD1 3.4Å
735	S	63.2	Low	63.4	Low	11 Å²	11	97.4 Å²	97.4	8%	0.077	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	144.6	171.6	57.7	0	0	0	0	113.1	H614 V717	H614-S735 WeakPolarHBondContact ND1-CB 3.37Å; H614-S735 PolarHBondContact ND1-OG 2.93Å; H614-S735 VanDerWaalsContact ND1-OG 3.13Å; V717-S735 PolarHBondContact N-O 3.16Å; V717-S735 PolarHBondContact O-N 2.89Å
736	D	62.5	Low	62.8	Low	107 Å²	107	91.3 Å²	91.3	57%	0.572	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	145.3	166.1	46.5	-39.6	0	0	0	110.7	T714 I715 H733	T714-D736 HydrophobicContact CG2-CB 4.26Å; I715-D736 CarbonylContact O-C 3.6Å; I715-D736 WeakPolarHBondContact O-CA 3.24Å; H733-D736 PolarHBondContact CE1-N 2.86Å; H733-D736 IonicContact CE1-OD1 3.38Å; H733-D736 PolarHBondContact CE1-OD1 2.99Å
737	F	62.2	Low	61.8	Low	19 Å²	19	91.3 Å²	91.3	8%	0.083	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.7	170	175.3	-88	0	0	0	108.1	L617 L620 A621 T714 I715 F739	L617-F737 HydrophobicContact CB-CB 4.21Å; L617-F737 HydrophobicContact CB-CD2 4.32Å; L617-F737 HydrophobicContact CB-CG 4.44Å; L617-F737 HydrophobicContact CD1-CB 3.99Å; L617-F737 HydrophobicContact CD2-CB 3.89Å; L617-F737 HydrophobicContact CD2-CD1 4.23Å; L617-F737 HydrophobicContact CD2-CD2 4.42Å; L617-F737 HydrophobicContact CD2-CG 3.91Å; L617-F737 HydrophobicContact CG-CB 4.25Å; L620-F737 HydrophobicContact CB-CE2 4.27Å; L620-F737 HydrophobicContact CB-CZ 4.41Å; L620-F737 HydrophobicContact CD2-CE1 3.9Å; L620-F737 HydrophobicContact CD2-CE2 4.33Å; L620-F737 HydrophobicContact CD2-CZ 3.77Å; L620-F737 HydrophobicContact CG-CE2 4.37Å; L620-F737 HydrophobicContact CG-CZ 4.02Å; A621-F737 HydrophobicContact CB-CD2 4.4Å; A621-F737 HydrophobicContact CB-CE2 3.94Å; T714-F737 CarbonylContact C-O 3.2Å; T714-F737 WeakPolarHBondContact CA-O 3.18Å; I715-F737 PolarHBondContact N-O 3.22Å; I715-F737 PolarHBondContact O-N 2.84Å; F737-F739 HydrophobicContact CD1-CD2 4.27Å; F737-F739 HydrophobicContact CD1-CE2 4.25Å; F737-F739 HydrophobicContact CD1-CZ 4.49Å; F737-F739 AromaticContact CE1-CD1 3.85Å; F737-F739 HydrophobicContact CE1-CD1 3.85Å; F737-F739 HydrophobicContact CE1-CD2 4.08Å; F737-F739 AromaticContact CE1-CE1 3.92Å; F737-F739 HydrophobicContact CE1-CE1 3.92Å; F737-F739 HydrophobicContact CE1-CE2 4.16Å; F737-F739 AromaticContact CE1-CG 3.93Å; F737-F739 HydrophobicContact CE1-CG 3.93Å; F737-F739 HydrophobicContact CE1-CZ 4.08Å
738	V	60.2	Low	61.8	Low	92 Å²	92	87.3 Å²	87.3	56%	0.558	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.9	175.2	-176.2	0	0	0	0	108.5	Q713 T714	Q713-V738 WeakPolarHBondContact O-CA 3.46Å; T714-V738 HydrophobicContact CG2-CG2 4.14Å
739	F	53.5	Low	62.3	Low	106 Å²	106	86.6 Å²	86.6	47%	0.465	41%	0.407	S	S	.	.			trans	-82	0	174.7	-80.8	-83.2	0	0	0	113.5	L636 I711 G712 Q713 I715 F737	L636-F739 HydrophobicContact CD1-CE1 4.06Å; I711-F739 HydrophobicContact CB-CE2 4.11Å; I711-F739 HydrophobicContact CB-CZ 4.3Å; I711-F739 HydrophobicContact CD1-CZ 3.98Å; I711-F739 HydrophobicContact CG2-CD2 4.36Å; I711-F739 HydrophobicContact CG2-CE2 3.49Å; I711-F739 VanDerWaalsContact CG2-CE2 3.49Å; I711-F739 HydrophobicContact CG2-CZ 3.93Å; G712-F739 WeakPolarHBondContact O-CD2 3.24Å; Q713-F739 PolarHBondContact O-N 3.46Å; I715-F739 HydrophobicContact CD1-CE2 3.62Å; I715-F739 HydrophobicContact CD1-CZ 3.92Å; I715-F739 HydrophobicContact CG1-CE2 3.91Å; F737-F739 HydrophobicContact CD1-CD2 4.27Å; F737-F739 HydrophobicContact CD1-CE2 4.25Å; F737-F739 HydrophobicContact CD1-CZ 4.49Å; F737-F739 AromaticContact CE1-CD1 3.85Å; F737-F739 HydrophobicContact CE1-CD1 3.85Å; F737-F739 HydrophobicContact CE1-CD2 4.08Å; F737-F739 AromaticContact CE1-CE1 3.92Å; F737-F739 HydrophobicContact CE1-CE1 3.92Å; F737-F739 HydrophobicContact CE1-CE2 4.16Å; F737-F739 AromaticContact CE1-CG 3.93Å; F737-F739 HydrophobicContact CE1-CG 3.93Å; F737-F739 HydrophobicContact CE1-CZ 4.08Å

Retrieved 739 of 739 residues in 177 ms (Link to these results)

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