G4VAK5_SCHMA Loading...

SMB domain-containing protein

AlphaFold DB , UniProt , Accession G4VAK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 398 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	52.1	Low	51.1	Low	206 Å²	206	147.9 Å²	147.9	100%	1.015	69%	0.691	S	S	*	*				0	-56.7	0	-81.2	-177.8	-163.6	0	0	113.5	R3 S4 I5	M1-R3 PolarHBondContact O-N 3.09Å; M1-S4 WeakPolarHBondContact O-CB 3.25Å; M1-S4 PolarHBondContact O-N 3.21Å; M1-I5 PolarHBondContact O-N 2.85Å
2	I	53.7	Low	51.1	Low	107 Å²	107	151.8 Å²	151.8	55%	0.549	71%	0.709	S	S	.	*	H	α-helix	trans	-57.8	-44.3	-171	-59.6	169.5	0	0	0	113.8	S4 I5 Q6	I2-S4 PolarHBondContact O-N 3.46Å; I2-I5 PolarHBondContact O-N 2.96Å; I2-Q6 PolarHBondContact O-N 2.62Å; I2-Q6 VanDerWaalsContact O-N 3.14Å
3	R	52.5	Low	50.9	Low	220 Å²	220	148 Å²	148	83%	0.83	69%	0.69	S	S	*	*	H	α-helix	trans	-62.4	-26.4	176.4	-77.5	-173.8	176.8	-177.7	-0.6	114.1	M1	M1-R3 PolarHBondContact O-N 3.09Å
4	S	53	Low	51.3	Low	87 Å²	87	146.6 Å²	146.6	61%	0.608	69%	0.69	S	S	*	*	H	α-helix	trans	-78.6	-33.9	179.2	-172.9	0	0	0	0	111.5	M1 I2	M1-S4 WeakPolarHBondContact O-CB 3.25Å; M1-S4 PolarHBondContact O-N 3.21Å; I2-S4 PolarHBondContact O-N 3.46Å
5	I	53.1	Low	52	Low	100 Å²	100	142.7 Å²	142.7	51%	0.513	69%	0.685	S	S	.	*	H	α-helix	trans	-73	-39	177.1	-61.9	171.7	0	0	0	111	M1 I2 K7 R8 F9	M1-I5 PolarHBondContact O-N 2.85Å; I2-I5 PolarHBondContact O-N 2.96Å; I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.47Å; I5-R8 PolarHBondContact O-N 2.88Å; I5-R8 VanDerWaalsContact O-N 3.07Å; I5-F9 PolarHBondContact O-N 3Å
6	Q	49.3	Very low	52.4	Low	85 Å²	85	144.1 Å²	144.1	40%	0.397	69%	0.686	S	S	.	*	H	α-helix	trans	-58.7	-38.6	177	-81.6	-177.2	-46	0	0	112.8	I2 R8 N10	I2-Q6 PolarHBondContact O-N 2.62Å; I2-Q6 VanDerWaalsContact O-N 3.14Å; Q6-R8 VanDerWaalsContact C-N 3.33Å; Q6-R8 PolarHBondContact O-N 3.03Å; Q6-N10 PolarHBondContact O-N 2.74Å
7	K	53.1	Low	52.9	Low	197 Å²	197	143.2 Å²	143.2	86%	0.857	68%	0.68	S	S	*	*	H	α-helix	trans	-69.9	-26	177	-87.3	-170.7	174.5	-174.2	0	113.8	I5	I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.47Å
8	R	49.9	Very low	53.3	Low	218 Å²	218	139.6 Å²	139.6	82%	0.823	66%	0.664	S	S	*	*	H	α-helix	trans	-86.3	-24.6	-177.6	-100.5	-174.6	177.4	-174.5	-0.4	114.4	I5 Q6	I5-R8 PolarHBondContact O-N 2.88Å; I5-R8 VanDerWaalsContact O-N 3.07Å; Q6-R8 VanDerWaalsContact C-N 3.33Å; Q6-R8 PolarHBondContact O-N 3.03Å
9	F	48.8	Very low	54.1	Low	146 Å²	146	138.5 Å²	138.5	64%	0.64	66%	0.658	S	S	*	*	H	α-helix	trans	-118.6	-2.1	-174	-81.6	-80.5	0	0	0	115.7	I5 I11	I5-F9 PolarHBondContact O-N 3Å; F9-I11 HydrophobicContact CB-CD1 4.03Å; F9-I11 HydrophobicContact CB-CG1 4.46Å; F9-I11 WeakPolarHBondContact O-CG1 3.14Å; F9-I11 PolarHBondContact O-N 3.29Å
10	N	44.9	Very low	54.6	Low	162 Å²	162	140.4 Å²	140.4	87%	0.866	66%	0.659	S	S	*	*			trans	51.7	31.1	173.6	-137.6	7.5	0	0	0	113.2	Q6	Q6-N10 PolarHBondContact O-N 2.74Å
11	I	51.8	Low	55.5	Low	99 Å²	99	137 Å²	137	51%	0.508	65%	0.648	S	S	.	*			trans	-102.8	114.5	179.4	-70.1	160.5	0	0	0	107.5	F9 F13	F9-I11 HydrophobicContact CB-CD1 4.03Å; F9-I11 HydrophobicContact CB-CG1 4.46Å; F9-I11 WeakPolarHBondContact O-CG1 3.14Å; F9-I11 PolarHBondContact O-N 3.29Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 HydrophobicContact CG2-CD2 4.15Å; I11-F13 HydrophobicContact CG2-CE2 4.2Å; I11-F13 PolarHBondContact O-N 3.1Å
12	Q	51.2	Low	56.3	Low	194 Å²	194	130.3 Å²	130.3	91%	0.907	62%	0.618	S	S	*	*			trans	-62	92.4	168.6	-113.1	176.9	-12.6	0	0	108.5	N14	Q12-N14 PolarHBondContact O-N 3.31Å
13	F	47.8	Very low	57	Low	103 Å²	103	130.2 Å²	130.2	45%	0.452	62%	0.618	S	S	.	*			trans	-67	108.8	171.2	-97.5	-86.7	0	0	0	108.8	I11 S15 F17 L18	I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 HydrophobicContact CG2-CD2 4.15Å; I11-F13 HydrophobicContact CG2-CE2 4.2Å; I11-F13 PolarHBondContact O-N 3.1Å; F13-S15 PolarHBondContact O-N 2.76Å; F13-F17 HydrophobicContact CD1-CD1 4.47Å; F13-F17 HydrophobicContact CE1-CD1 4.27Å; F13-L18 HydrophobicContact CD1-CD1 4.47Å
14	N	57.4	Low	57.6	Low	129 Å²	129	125.8 Å²	125.8	69%	0.69	61%	0.605	S	S	*	*			trans	-59.3	121.1	177.9	-131	-28.4	0	0	0	108.9	Q12 K16 F17	Q12-N14 PolarHBondContact O-N 3.31Å; N14-K16 PolarHBondContact O-N 2.83Å; N14-F17 PolarHBondContact O-N 2.91Å
15	S	61.8	Low	58.3	Low	88 Å²	88	124.6 Å²	124.6	62%	0.615	60%	0.597	S	S	*	*	H	α-helix	trans	-47	-33.9	-174	154	0	0	0	0	113.6	F13 F17 L18 H19	F13-S15 PolarHBondContact O-N 2.76Å; S15-F17 PolarHBondContact O-N 3.02Å; S15-L18 PolarHBondContact O-N 2.8Å; S15-H19 PolarHBondContact O-N 2.81Å
16	K	58.2	Low	58.9	Low	164 Å²	164	126.3 Å²	126.3	71%	0.713	60%	0.601	S	S	*	*	H	α-helix	trans	-62	-38	177.4	-64.6	-171.5	177.8	-176.9	0	113.5	N14 H19 W20	N14-K16 PolarHBondContact O-N 2.83Å; K16-H19 PolarHBondContact O-N 3.01Å; K16-W20 VanDerWaalsContact O-CD1 3.26Å; K16-W20 PolarHBondContact O-N 3.16Å; K16-W20 VanDerWaalsContact O-N 3.14Å
17	F	60.9	Low	59.6	Low	130 Å²	130	129.8 Å²	129.8	57%	0.57	61%	0.612	S	S	*	*	H	α-helix	trans	-69.6	-39.1	-178.7	-164.2	-94	0	0	0	111.5	F13 N14 S15 H19 W20 V21	F13-F17 HydrophobicContact CD1-CD1 4.47Å; F13-F17 HydrophobicContact CE1-CD1 4.27Å; N14-F17 PolarHBondContact O-N 2.91Å; S15-F17 PolarHBondContact O-N 3.02Å; F17-H19 PolarHBondContact O-N 2.87Å; F17-W20 PolarHBondContact O-N 3.13Å; F17-V21 HydrophobicContact CD1-CG2 3.89Å; F17-V21 HydrophobicContact CE1-CG2 3.64Å; F17-V21 HydrophobicContact CZ-CG2 4.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.41Å; F17-V21 PolarHBondContact O-N 3.26Å
18	L	59.9	Low	60	Low	77 Å²	77	125 Å²	125	40%	0.403	59%	0.594	S	S	.	*	H	α-helix	trans	-61	-38.2	175.2	-132.1	86.7	0	0	0	111.1	F13 S15 T22	F13-L18 HydrophobicContact CD1-CD1 4.47Å; S15-L18 PolarHBondContact O-N 2.8Å; L18-T22 WeakPolarHBondContact O-CG2 3.41Å; L18-T22 PolarHBondContact O-N 3.3Å; L18-T22 PolarHBondContact O-OG1 2.85Å; L18-T22 VanDerWaalsContact O-OG1 3.12Å
19	H	68.1	Low	60.4	Low	120 Å²	120	118 Å²	118	56%	0.556	58%	0.576	S	S	*	*	H	α-helix	trans	-68.8	-37.6	179.4	-127.5	-40.3	0	0	0	113.2	S15 K16 F17 T22 L23	S15-H19 PolarHBondContact O-N 2.81Å; K16-H19 PolarHBondContact O-N 3.01Å; F17-H19 PolarHBondContact O-N 2.87Å; H19-T22 WeakPolarHBondContact CA-OG1 3.37Å; H19-T22 PolarHBondContact O-OG1 3.23Å; H19-L23 WeakPolarHBondContact O-CB 3.47Å; H19-L23 VanDerWaalsContact O-CG 3.29Å; H19-L23 WeakPolarHBondContact O-CG 3.37Å; H19-L23 PolarHBondContact O-N 3.06Å
20	W	65	Low	60.9	Low	175 Å²	175	116.6 Å²	116.6	66%	0.663	57%	0.574	S	S	*	*	H	α-helix	trans	-71.2	-39.7	176.9	-84.6	68.4	0	0	0	111.9	K16 F17 L23 F24	K16-W20 VanDerWaalsContact O-CD1 3.26Å; K16-W20 PolarHBondContact O-N 3.16Å; K16-W20 VanDerWaalsContact O-N 3.14Å; F17-W20 PolarHBondContact O-N 3.13Å; W20-L23 PolarHBondContact O-N 2.81Å; W20-F24 WeakPolarHBondContact O-CB 3.21Å; W20-F24 PolarHBondContact O-N 3.46Å
21	V	72.9	Confident	61.2	Low	70 Å²	70	113.9 Å²	113.9	42%	0.424	56%	0.559	S	S	.	*	H	α-helix	trans	-65.2	-39.8	176.5	175.2	0	0	0	0	111.1	F17 S25	F17-V21 HydrophobicContact CD1-CG2 3.89Å; F17-V21 HydrophobicContact CE1-CG2 3.64Å; F17-V21 HydrophobicContact CZ-CG2 4.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.41Å; F17-V21 PolarHBondContact O-N 3.26Å; V21-S25 VanDerWaalsContact O-CB 3.3Å; V21-S25 WeakPolarHBondContact O-CB 2.92Å; V21-S25 PolarHBondContact O-N 3.07Å; V21-S25 PolarHBondContact O-OG 2.86Å
22	T	69	Low	61.3	Low	65 Å²	65	115.8 Å²	115.8	40%	0.399	57%	0.566	S	S	.	*	H	α-helix	trans	-69.2	-40.1	176.1	53.9	0	0	0	0	112.1	L18 H19 S25 F26	L18-T22 WeakPolarHBondContact O-CG2 3.41Å; L18-T22 PolarHBondContact O-N 3.3Å; L18-T22 PolarHBondContact O-OG1 2.85Å; L18-T22 VanDerWaalsContact O-OG1 3.12Å; H19-T22 WeakPolarHBondContact CA-OG1 3.37Å; H19-T22 PolarHBondContact O-OG1 3.23Å; T22-S25 PolarHBondContact O-N 3.32Å; T22-F26 WeakPolarHBondContact O-CB 3.49Å; T22-F26 WeakPolarHBondContact O-CD2 3.27Å; T22-F26 PolarHBondContact O-N 2.04Å
23	L	67.6	Low	61.1	Low	106 Å²	106	113.1 Å²	113.1	56%	0.555	56%	0.557	S	S	*	*	H	α-helix	trans	-63.9	-41.9	174.4	-77.2	169.3	0	0	0	112.2	H19 W20 F26 Y27	H19-L23 WeakPolarHBondContact O-CB 3.47Å; H19-L23 VanDerWaalsContact O-CG 3.29Å; H19-L23 WeakPolarHBondContact O-CG 3.37Å; H19-L23 PolarHBondContact O-N 3.06Å; W20-L23 PolarHBondContact O-N 2.81Å; L23-F26 PolarHBondContact O-N 3.23Å; L23-Y27 VanDerWaalsContact O-CB 3.32Å; L23-Y27 WeakPolarHBondContact O-CB 3.4Å; L23-Y27 PolarHBondContact O-N 3.31Å
24	F	66.9	Low	61.1	Low	126 Å²	126	113 Å²	113	55%	0.553	57%	0.569	S	S	*	*	H	α-helix	trans	-65.1	-42.1	175.1	-116.7	-89.6	0	0	0	111.7	W20 F26 Y27 I28	W20-F24 WeakPolarHBondContact O-CB 3.21Å; W20-F24 PolarHBondContact O-N 3.46Å; F24-F26 VanDerWaalsContact C-N 3.34Å; F24-Y27 PolarHBondContact O-N 3.24Å; F24-I28 HydrophobicContact CD1-CD1 4.21Å; F24-I28 WeakPolarHBondContact O-CB 3.41Å; F24-I28 VanDerWaalsContact O-CG1 3.26Å; F24-I28 WeakPolarHBondContact O-CG1 3.44Å; F24-I28 PolarHBondContact O-N 2.99Å
25	S	66.8	Low	60.5	Low	62 Å²	62	114 Å²	114	43%	0.434	57%	0.574	S	S	.	*	H	α-helix	trans	-62.7	-43.4	175.8	-56.5	0	0	0	0	110.7	V21 T22 I28 T29	V21-S25 VanDerWaalsContact O-CB 3.3Å; V21-S25 WeakPolarHBondContact O-CB 2.92Å; V21-S25 PolarHBondContact O-N 3.07Å; V21-S25 PolarHBondContact O-OG 2.86Å; T22-S25 PolarHBondContact O-N 3.32Å; S25-I28 PolarHBondContact O-N 3.31Å; S25-T29 WeakPolarHBondContact O-CG2 3.32Å; S25-T29 PolarHBondContact O-N 3.1Å; S25-T29 PolarHBondContact O-OG1 3Å; S25-T29 VanDerWaalsContact O-OG1 3.09Å
26	F	65.6	Low	60	Low	137 Å²	137	114.4 Å²	114.4	60%	0.601	57%	0.572	S	S	*	*	H	α-helix	trans	-62.2	-45	174.6	-103.3	-86.5	0	0	0	111.9	T22 L23 F24 I28 T29 I30	T22-F26 WeakPolarHBondContact O-CB 3.49Å; T22-F26 WeakPolarHBondContact O-CD2 3.27Å; T22-F26 PolarHBondContact O-N 2.04Å; L23-F26 PolarHBondContact O-N 3.23Å; F24-F26 VanDerWaalsContact C-N 3.34Å; F26-I28 PolarHBondContact O-N 2.82Å; F26-T29 VanDerWaalsContact CA-OG1 3.31Å; F26-T29 WeakPolarHBondContact CA-OG1 3.27Å; F26-T29 PolarHBondContact O-N 3.32Å; F26-T29 PolarHBondContact O-OG1 3.13Å; F26-I30 HydrophobicContact CD1-CD1 4.29Å; F26-I30 WeakPolarHBondContact O-CB 3.01Å; F26-I30 VanDerWaalsContact O-CG1 3.25Å; F26-I30 WeakPolarHBondContact O-CG1 3.27Å; F26-I30 PolarHBondContact O-N 2.05Å
27	Y	64.3	Low	59.8	Low	157 Å²	157	111.8 Å²	111.8	62%	0.616	57%	0.565	S	S	*	*	H	α-helix	trans	-64.6	-39	179.3	-169.3	-96.7	0	0	0	112.4	L23 F24 N31	L23-Y27 VanDerWaalsContact O-CB 3.32Å; L23-Y27 WeakPolarHBondContact O-CB 3.4Å; L23-Y27 PolarHBondContact O-N 3.31Å; F24-Y27 PolarHBondContact O-N 3.24Å; Y27-N31 WeakPolarHBondContact CE1-ND2 3.36Å; Y27-N31 WeakPolarHBondContact O-CB 3.07Å; Y27-N31 PolarHBondContact O-N 3.21Å; Y27-N31 PolarHBondContact O-ND2 3.26Å
28	I	60.2	Low	59.8	Low	96 Å²	96	106.6 Å²	106.6	49%	0.492	54%	0.544	S	S	.	.	H	α-helix	trans	-66.8	-43.2	173.5	-68.1	170.9	0	0	0	110.2	F24 S25 F26 N31 Q32	F24-I28 HydrophobicContact CD1-CD1 4.21Å; F24-I28 WeakPolarHBondContact O-CB 3.41Å; F24-I28 VanDerWaalsContact O-CG1 3.26Å; F24-I28 WeakPolarHBondContact O-CG1 3.44Å; F24-I28 PolarHBondContact O-N 2.99Å; S25-I28 PolarHBondContact O-N 3.31Å; F26-I28 PolarHBondContact O-N 2.82Å; I28-N31 PolarHBondContact O-N 2.93Å; I28-Q32 HydrophobicContact CG2-CG 4.29Å; I28-Q32 WeakPolarHBondContact O-CB 3.45Å; I28-Q32 VanDerWaalsContact O-CG 3.24Å; I28-Q32 WeakPolarHBondContact O-CG 3.06Å; I28-Q32 PolarHBondContact O-N 3.44Å
29	T	59.4	Low	60.2	Low	73 Å²	73	106.2 Å²	106.2	45%	0.448	54%	0.543	S	S	.	.	H	α-helix	trans	-67.6	-36.5	178.2	53.9	0	0	0	0	113	S25 F26 Q32 I33	S25-T29 WeakPolarHBondContact O-CG2 3.32Å; S25-T29 PolarHBondContact O-N 3.1Å; S25-T29 PolarHBondContact O-OG1 3Å; S25-T29 VanDerWaalsContact O-OG1 3.09Å; F26-T29 VanDerWaalsContact CA-OG1 3.31Å; F26-T29 WeakPolarHBondContact CA-OG1 3.27Å; F26-T29 PolarHBondContact O-N 3.32Å; F26-T29 PolarHBondContact O-OG1 3.13Å; T29-Q32 PolarHBondContact O-N 3.35Å; T29-I33 WeakPolarHBondContact O-CG1 3.46Å
30	I	58.7	Low	60.9	Low	115 Å²	115	100.7 Å²	100.7	59%	0.59	52%	0.518	S	S	*	.	H	α-helix	trans	-68.8	-41.2	177.5	-70.7	167.1	0	0	0	110	F26 Q32	F26-I30 HydrophobicContact CD1-CD1 4.29Å; F26-I30 WeakPolarHBondContact O-CB 3.01Å; F26-I30 VanDerWaalsContact O-CG1 3.25Å; F26-I30 WeakPolarHBondContact O-CG1 3.27Å; F26-I30 PolarHBondContact O-N 2.05Å; I30-Q32 VanDerWaalsContact C-N 3.33Å; I30-Q32 PolarHBondContact O-N 3.15Å
31	N	52	Low	61.9	Low	105 Å²	105	92.4 Å²	92.4	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-76.7	-15.2	178.1	-83.2	-59.6	0	0	0	114.6	Y27 I28	Y27-N31 WeakPolarHBondContact CE1-ND2 3.36Å; Y27-N31 WeakPolarHBondContact O-CB 3.07Å; Y27-N31 PolarHBondContact O-N 3.21Å; Y27-N31 PolarHBondContact O-ND2 3.26Å; I28-N31 PolarHBondContact O-N 2.93Å
32	Q	52.9	Low	62.6	Low	140 Å²	140	93.4 Å²	93.4	65%	0.654	49%	0.489	S	S	*	.	H	α-helix	trans	-86.9	-10.9	177.8	-79.6	-81.1	-21.5	0	0	114.1	I28 T29 I30	I28-Q32 HydrophobicContact CG2-CG 4.29Å; I28-Q32 WeakPolarHBondContact O-CB 3.45Å; I28-Q32 VanDerWaalsContact O-CG 3.24Å; I28-Q32 WeakPolarHBondContact O-CG 3.06Å; I28-Q32 PolarHBondContact O-N 3.44Å; T29-Q32 PolarHBondContact O-N 3.35Å; I30-Q32 VanDerWaalsContact C-N 3.33Å; I30-Q32 PolarHBondContact O-N 3.15Å
33	I	47.8	Very low	63.4	Low	138 Å²	138	93.3 Å²	93.3	71%	0.708	48%	0.484	S	S	*	.			trans	-117.5	41.3	-170.5	-49.2	170.3	0	0	0	112.1	T29	T29-I33 WeakPolarHBondContact O-CG1 3.46Å
34	S	46.8	Very low	64	Low	101 Å²	101	93.2 Å²	93.2	71%	0.706	49%	0.49	S	S	*	.			trans	-119.3	49.2	153.1	-66.4	0	0	0	0	109.4	V36	S34-V36 PolarHBondContact O-N 3.3Å
35	L	46.3	Very low	64.7	Low	150 Å²	150	91.9 Å²	91.9	79%	0.785	49%	0.489	S	S	*	.			trans	-60.4	90.6	146.6	-81	166	0	0	0	105.1	I37	L35-I37 WeakPolarHBondContact O-CG1 3.44Å; L35-I37 PolarHBondContact O-N 3.04Å
36	V	50.1	Low	65.5	Low	96 Å²	96	91.5 Å²	91.5	58%	0.582	50%	0.495	S	S	*	.			trans	-61.2	94.1	168.3	174.3	0	0	0	0	104.6	S34 S38 P44	S34-V36 PolarHBondContact O-N 3.3Å; V36-S38 PolarHBondContact O-N 3.17Å; V36-P44 HydrophobicContact CG1-CB 4.45Å; V36-P44 HydrophobicContact CG1-CG 3.46Å; V36-P44 VanDerWaalsContact CG1-CG 3.46Å
37	I	55.1	Low	66.4	Low	109 Å²	109	90.6 Å²	90.6	56%	0.559	49%	0.494	S	S	*	.			trans	-66	92.4	174.9	-54.7	175.3	0	0	0	104.1	L35 N39	L35-I37 WeakPolarHBondContact O-CG1 3.44Å; L35-I37 PolarHBondContact O-N 3.04Å; I37-N39 PolarHBondContact O-N 3.19Å
38	S	59.9	Low	67.5	Low	20 Å²	20	85.3 Å²	85.3	14%	0.14	48%	0.48	C	S	.	.			trans	-55.9	133.2	163.7	51.7	0	0	0	0	106	V36 G40 V60	V36-S38 PolarHBondContact O-N 3.17Å; S38-G40 VanDerWaalsContact C-N 3.28Å; S38-V60 WeakPolarHBondContact O-CG1 2.99Å
39	N	69.4	Low	68.7	Low	70 Å²	70	81.5 Å²	81.5	37%	0.374	46%	0.46	S	S	.	.	S	Bend	trans	-95.9	10.6	176.9	-73.3	-43.5	0	0	0	111.4	I37 S63 H105	I37-N39 PolarHBondContact O-N 3.19Å; N39-S63 WeakPolarHBondContact OD1-CB 3.24Å; N39-H105 PolarHBondContact O-CD2 3.2Å; N39-H105 PolarHBondContact O-NE2 2.88Å
40	G	82.3	Confident	70	Confident	4 Å²	4	79.2 Å²	79.2	4%	0.041	45%	0.447	C	S	.	.	S	Bend	trans	-170.6	-169.9	-177.7	0	0	0	0	0	111.7	S38 L42 D106	S38-G40 VanDerWaalsContact C-N 3.28Å; G40-L42 VanDerWaalsContact C-N 3.31Å; G40-D106 WeakPolarHBondContact CA-OD1 3.29Å
41	C	86.8	Confident	71.3	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	42%	0.422	C	S	.	.	S	Bend	trans	-73.9	-21.6	178.9	-55.4	0	0	0	0	112.9	I49 C93 D106 T110	C41-I49 WeakPolarHBondContact O-CG1 3.38Å; C41-I49 PolarHBondContact O-N 3.28Å; C41-C93 WeakPolarHBondContact CA-SG 3.24Å; C41-C93 HydrophobicContact CB-CB 3.81Å; C41-C93 WeakPolarHBondContact CB-SG 3.33Å; C41-C93 WeakPolarHBondContact SG-CB 3.49Å; C41-C93 CovalentContact SG-SG 2.03Å; C41-C93 PolarHBondContact SG-SG 3.01Å; C41-D106 VanDerWaalsContact N-CG 3.27Å; C41-D106 PolarHBondContact N-OD1 3.05Å; C41-D106 PolarHBondContact N-OD2 3.3Å; C41-T110 HydrophobicContact CB-CG2 3.88Å
42	L	86.9	Confident	72.6	Confident	92 Å²	92	73.5 Å²	73.5	48%	0.482	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-86.7	119.8	174.3	-168.8	66.3	0	0	0	110.6	G40 G46 D106 T110	G40-L42 VanDerWaalsContact C-N 3.31Å; L42-G46 WeakPolarHBondContact CD1-O 3.36Å; L42-D106 PolarHBondContact N-OD2 3.35Å; L42-T110 HydrophobicContact CB-CG2 3.98Å; L42-T110 HydrophobicContact CD1-CG2 4.19Å
43	Q	84.9	Confident	73.9	Confident	62 Å²	62	68 Å²	68	29%	0.29	41%	0.411	S	S	.	.			trans	-73.3	157.2	172.7	-71.1	-179.4	4.6	0	0	111.2	N45 G46 M47 I49	Q43-N45 WeakPolarHBondContact CB-OD1 3.28Å; Q43-N45 PolarHBondContact O-N 3.27Å; Q43-N45 VanDerWaalsContact O-N 3.16Å; Q43-N45 PolarHBondContact OE1-ND2 3.3Å; Q43-N45 PolarHBondContact OE1-OD1 2.98Å; Q43-G46 PolarHBondContact O-N 3.43Å; Q43-M47 VanDerWaalsContact CB-O 3.29Å; Q43-M47 WeakPolarHBondContact CB-O 3.09Å; Q43-M47 PolarHBondContact N-O 3.21Å; Q43-I49 HydrophobicContact CG-CD1 3.54Å; Q43-I49 HydrophobicContact CG-CG1 3.48Å; Q43-I49 VanDerWaalsContact CG-CG1 3.48Å
44	P	80.2	Confident	75.3	Confident	105 Å²	105	67.7 Å²	67.7	68%	0.682	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.8	177.6	-28.1	40.6	0	0	0	115.1	V36 G46	V36-P44 HydrophobicContact CG1-CB 4.45Å; V36-P44 HydrophobicContact CG1-CG 3.46Å; V36-P44 VanDerWaalsContact CG1-CG 3.46Å; P44-G46 PolarHBondContact O-N 2.79Å
45	N	83	Confident	76.9	Confident	98 Å²	98	67.3 Å²	67.3	52%	0.524	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.8	172.3	59.9	18	0	0	0	113.2	Q43 M47	Q43-N45 WeakPolarHBondContact CB-OD1 3.28Å; Q43-N45 PolarHBondContact O-N 3.27Å; Q43-N45 VanDerWaalsContact O-N 3.16Å; Q43-N45 PolarHBondContact OE1-ND2 3.3Å; Q43-N45 PolarHBondContact OE1-OD1 2.98Å; N45-M47 WeakPolarHBondContact ND2-CE 3.44Å; N45-M47 VanDerWaalsContact OD1-CB 3.29Å; N45-M47 WeakPolarHBondContact OD1-CB 3.35Å; N45-M47 PolarHBondContact OD1-N 3.14Å
46	G	82.3	Confident	78.3	Confident	54 Å²	54	67.8 Å²	67.8	56%	0.557	39%	0.387	S	S	*	.	S	Bend	trans	84.6	-1.4	-176.7	0	0	0	0	0	115.1	L42 Q43 P44	L42-G46 WeakPolarHBondContact CD1-O 3.36Å; Q43-G46 PolarHBondContact O-N 3.43Å; P44-G46 PolarHBondContact O-N 2.79Å
47	M	85.6	Confident	79.6	Confident	117 Å²	117	70.1 Å²	70.1	58%	0.576	39%	0.389	S	S	*	.			trans	-78.6	141.7	174.1	-64.7	-164.4	-75.6	0	0	111.2	Q43 N45	Q43-M47 VanDerWaalsContact CB-O 3.29Å; Q43-M47 WeakPolarHBondContact CB-O 3.09Å; Q43-M47 PolarHBondContact N-O 3.21Å; N45-M47 WeakPolarHBondContact ND2-CE 3.44Å; N45-M47 VanDerWaalsContact OD1-CB 3.29Å; N45-M47 WeakPolarHBondContact OD1-CB 3.35Å; N45-M47 PolarHBondContact OD1-N 3.14Å
48	S	86.8	Confident	80.6	Confident	46 Å²	46	65 Å²	65	32%	0.322	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-89.5	134.8	176.2	49.5	0	0	0	0	111.5	C50 N150	S48-C50 PolarHBondContact O-N 2.97Å; S48-N150 WeakPolarHBondContact CB-OD1 3.41Å; S48-N150 PolarHBondContact OG-OD1 3.07Å
49	I	85.1	Confident	81.5	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.087	37%	0.369	C	S	.	.			trans	-93.7	70.9	173.4	-45.4	178.1	0	0	0	108	C41 Q43 K57 V60 C93	C41-I49 WeakPolarHBondContact O-CG1 3.38Å; C41-I49 PolarHBondContact O-N 3.28Å; Q43-I49 HydrophobicContact CG-CD1 3.54Å; Q43-I49 HydrophobicContact CG-CG1 3.48Å; Q43-I49 VanDerWaalsContact CG-CG1 3.48Å; I49-K57 WeakPolarHBondContact CG2-O 3.47Å; I49-V60 HydrophobicContact CD1-CG2 4.45Å; I49-C93 WeakPolarHBondContact O-CB 3.38Å
50	C	88	Confident	81.9	Confident	25 Å²	25	63.7 Å²	63.7	17%	0.169	35%	0.351	C	S	.	.			trans	-108.2	122	178.6	-56.1	0	0	0	0	109.4	S48 C93 C111 N150 N151	S48-C50 PolarHBondContact O-N 2.97Å; C50-C93 WeakPolarHBondContact CA-O 3.31Å; C50-C111 HydrophobicContact CB-CB 3.86Å; C50-C111 WeakPolarHBondContact CB-SG 3.43Å; C50-C111 WeakPolarHBondContact SG-CA 2.93Å; C50-C111 WeakPolarHBondContact SG-CB 3.44Å; C50-C111 CovalentContact SG-SG 2.04Å; C50-C111 PolarHBondContact SG-SG 3.31Å; C50-N150 HydrophobicContact CB-CB 4.37Å; C50-N150 PolarHBondContact SG-OD1 2.98Å; C50-N151 PolarHBondContact O-OD1 2.85Å
51	C	85.3	Confident	81.5	Confident	9 Å²	9	68.9 Å²	68.9	6%	0.061	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-121.2	145.9	-174.9	-57.4	0	0	0	0	112.8	G53 C58 C93 D94 N151	C51-G53 WeakPolarHBondContact CB-O 2.85Å; C51-G53 PolarHBondContact O-N 3.09Å; C51-C58 HydrophobicContact CB-CB 3.6Å; C51-C58 WeakPolarHBondContact CB-SG 3.39Å; C51-C58 WeakPolarHBondContact SG-CB 2.85Å; C51-C58 CovalentContact SG-SG 1.99Å; C51-C58 PolarHBondContact SG-SG 2.03Å; C51-C93 PolarHBondContact N-O 3.43Å; C51-D94 WeakPolarHBondContact O-CA 3.25Å; C51-D94 VanDerWaalsContact O-CB 3.3Å; C51-D94 WeakPolarHBondContact O-CB 3.41Å; C51-N151 WeakPolarHBondContact CA-OD1 3.46Å; C51-N151 PolarHBondContact N-OD1 2.71Å; C51-N151 VanDerWaalsContact O-CG 3.31Å; C51-N151 PolarHBondContact O-ND2 2.96Å; C51-N151 PolarHBondContact O-OD1 3.26Å
52	A	78.9	Confident	80.3	Confident	90 Å²	90	72 Å²	72	74%	0.744	38%	0.384	S	S	*	.	S	Bend	trans	-68.3	-19.7	175.7	0	0	0	0	0	112.6
53	G	80	Confident	78.9	Confident	24 Å²	24	69.7 Å²	69.7	25%	0.247	38%	0.375	C	S	.	.	S	Bend	trans	-156.5	-171.9	179.6	0	0	0	0	0	114.2	C51 E55	C51-G53 WeakPolarHBondContact CB-O 2.85Å; C51-G53 PolarHBondContact O-N 3.09Å; G53-E55 VanDerWaalsContact C-N 3.28Å; G53-E55 PolarHBondContact O-N 3.44Å
54	R	77.1	Confident	77.4	Confident	133 Å²	133	73.9 Å²	73.9	50%	0.502	41%	0.406	S	S	.	.			trans	-81.4	65.1	-174.4	-65.7	-174.1	170.7	-136.3	-16.2	112.5	D94 S96 T100 D102	R54-D94 WeakPolarHBondContact CG-OD2 3.34Å; R54-S96 PolarHBondContact NE-OG 2.82Å; R54-T100 PolarHBondContact NH2-OG1 2.55Å; R54-T100 VanDerWaalsContact NH2-OG1 3.1Å; R54-D102 IonicContact CZ-OD2 3.24Å; R54-D102 IonicContact NH1-OD2 3.9Å; R54-D102 IonicContact NH2-OD1 2.83Å; R54-D102 IonicContact NH2-OD2 3.45Å; R54-D102 PolarHBondContact NH2-OD2 2.76Å
55	E	81.5	Confident	76	Confident	93 Å²	93	72.1 Å²	72.1	44%	0.435	41%	0.407	S	S	.	.			trans	-86.7	154.9	173.7	-61	175.8	-149.3	0	0	112	G53 K57 C58	G53-E55 VanDerWaalsContact C-N 3.28Å; G53-E55 PolarHBondContact O-N 3.44Å; E55-K57 VanDerWaalsContact C-N 3.29Å; E55-K57 HydrophobicContact CB-CG 4.39Å; E55-K57 PolarHBondContact O-N 3.32Å; E55-K57 WeakPolarHBondContact OE2-CE 3.45Å; E55-K57 IonicContact OE2-NZ 2.71Å; E55-K57 PolarHBondContact OE2-NZ 3.35Å; E55-C58 WeakPolarHBondContact O-CB 3.36Å; E55-C58 PolarHBondContact O-N 3.24Å; E55-C58 VanDerWaalsContact O-N 3.07Å
56	E	76.1	Confident	74.5	Confident	160 Å²	160	71 Å²	71	75%	0.748	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-56.6	-40.6	-178	-156.6	-176	168.3	0	0	112.4	C58 F59	E56-C58 PolarHBondContact O-N 3.07Å; E56-C58 VanDerWaalsContact O-N 3.09Å; E56-F59 HydrophobicContact CB-CE1 4.11Å; E56-F59 HydrophobicContact CG-CD1 4.23Å; E56-F59 HydrophobicContact CG-CE1 3.29Å; E56-F59 HydrophobicContact CG-CZ 3.84Å; E56-F59 WeakPolarHBondContact O-CD1 3.3Å; E56-F59 WeakPolarHBondContact O-CE1 3.21Å; E56-F59 WeakPolarHBondContact O-CG 3.47Å; E56-F59 WeakPolarHBondContact O-CZ 3.47Å
57	K	76.2	Confident	72.6	Confident	145 Å²	145	72.6 Å²	72.6	63%	0.63	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-67.9	-10.5	-179.4	73.3	-165.2	-168.7	-150.8	0	114.8	I49 E55	I49-K57 WeakPolarHBondContact CG2-O 3.47Å; E55-K57 VanDerWaalsContact C-N 3.29Å; E55-K57 HydrophobicContact CB-CG 4.39Å; E55-K57 PolarHBondContact O-N 3.32Å; E55-K57 WeakPolarHBondContact OE2-CE 3.45Å; E55-K57 IonicContact OE2-NZ 2.71Å; E55-K57 PolarHBondContact OE2-NZ 3.35Å
58	C	76.5	Confident	70.7	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.007	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-107	-4.4	-169.3	-47.2	0	0	0	0	113.2	C51 E55 E56	C51-C58 HydrophobicContact CB-CB 3.6Å; C51-C58 WeakPolarHBondContact CB-SG 3.39Å; C51-C58 WeakPolarHBondContact SG-CB 2.85Å; C51-C58 CovalentContact SG-SG 1.99Å; C51-C58 PolarHBondContact SG-SG 2.03Å; E55-C58 WeakPolarHBondContact O-CB 3.36Å; E55-C58 PolarHBondContact O-N 3.24Å; E55-C58 VanDerWaalsContact O-N 3.07Å; E56-C58 PolarHBondContact O-N 3.07Å; E56-C58 VanDerWaalsContact O-N 3.09Å
59	F	77.6	Confident	68.8	Low	60 Å²	60	75.3 Å²	75.3	26%	0.263	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	146.7	170.3	64.2	-117.9	0	0	0	110.2	E56 Y61 F92	E56-F59 HydrophobicContact CB-CE1 4.11Å; E56-F59 HydrophobicContact CG-CD1 4.23Å; E56-F59 HydrophobicContact CG-CE1 3.29Å; E56-F59 HydrophobicContact CG-CZ 3.84Å; E56-F59 WeakPolarHBondContact O-CD1 3.3Å; E56-F59 WeakPolarHBondContact O-CE1 3.21Å; E56-F59 WeakPolarHBondContact O-CG 3.47Å; E56-F59 WeakPolarHBondContact O-CZ 3.47Å; F59-Y61 HydrophobicContact CD2-CD2 4.29Å; F59-Y61 AromaticContact CD2-CE2 3.89Å; F59-Y61 HydrophobicContact CD2-CE2 3.89Å; F59-Y61 HydrophobicContact CE2-CD2 4.22Å; F59-Y61 AromaticContact CE2-CE2 3.51Å; F59-Y61 HydrophobicContact CE2-CE2 3.51Å; F59-Y61 HydrophobicContact CZ-CE2 4.45Å; F59-F92 HydrophobicContact CB-CD1 4.49Å; F59-F92 HydrophobicContact CB-CE1 4.21Å
60	V	78.6	Confident	66.8	Low	2 Å²	2	80 Å²	80	1%	0.012	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.1	177.6	-178.6	0	0	0	0	108.5	S38 I49 R90 C91	S38-V60 WeakPolarHBondContact O-CG1 2.99Å; I49-V60 HydrophobicContact CD1-CG2 4.45Å; V60-R90 CarbonylContact O-C 3.55Å; V60-R90 VanDerWaalsContact O-CA 3.32Å; V60-R90 WeakPolarHBondContact O-CA 3.48Å; V60-C91 PolarHBondContact N-O 2.97Å; V60-C91 PolarHBondContact O-N 3.36Å
61	Y	73.1	Confident	64.7	Low	113 Å²	113	87.7 Å²	87.7	44%	0.443	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.6	174.1	-71.6	-81.9	0	0	0	109.1	F59 R90	F59-Y61 HydrophobicContact CD2-CD2 4.29Å; F59-Y61 AromaticContact CD2-CE2 3.89Å; F59-Y61 HydrophobicContact CD2-CE2 3.89Å; F59-Y61 HydrophobicContact CE2-CD2 4.22Å; F59-Y61 AromaticContact CE2-CE2 3.51Å; F59-Y61 HydrophobicContact CE2-CE2 3.51Å; F59-Y61 HydrophobicContact CZ-CE2 4.45Å; Y61-R90 HydrophobicContact CD1-CG 3.93Å; Y61-R90 HydrophobicContact CE1-CG 3.95Å
62	K	62.2	Low	62.6	Low	67 Å²	67	94.9 Å²	94.9	29%	0.291	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-67.8	134.4	172.7	-61	178.3	179.7	-176.5	0	108.3	G89 R90 C91	K62-G89 WeakPolarHBondContact CA-O 2.86Å; K62-G89 WeakPolarHBondContact CB-O 3.2Å; K62-G89 VanDerWaalsContact CG-O 3.25Å; K62-G89 WeakPolarHBondContact CG-O 3.41Å; K62-G89 PolarHBondContact N-O 3.09Å; K62-R90 WeakPolarHBondContact CE-O 3.48Å; K62-C91 HydrophobicContact CG-CB 4.45Å
63	S	57	Low	61	Low	42 Å²	42	96.3 Å²	96.3	29%	0.294	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-59.9	147.9	166.6	59.5	0	0	0	0	110.2	N39 G65 Q66	N39-S63 WeakPolarHBondContact OD1-CB 3.24Å; S63-G65 PolarHBondContact O-N 2.97Å; S63-Q66 PolarHBondContact O-N 2.98Å
64	T	54.1	Low	59.3	Low	151 Å²	151	99.7 Å²	99.7	93%	0.926	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-2	-174.8	37.8	0	0	0	0	115
65	G	51.5	Low	57.8	Low	68 Å²	68	102.7 Å²	102.7	70%	0.701	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-1.9	174.3	0	0	0	0	0	115.8	S63	S63-G65 PolarHBondContact O-N 2.97Å
66	Q	50.2	Low	55.8	Low	75 Å²	75	108 Å²	108	35%	0.35	54%	0.539	S	S	.	.			trans	-107.3	21.2	178.9	-68.7	-175.2	-13.8	0	0	112.9	S63 S68	S63-Q66 PolarHBondContact O-N 2.98Å; Q66-S68 PolarHBondContact O-N 2.83Å; Q66-S68 VanDerWaalsContact O-N 3.16Å
67	S	44.1	Very low	54.4	Low	87 Å²	87	109.7 Å²	109.7	61%	0.608	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	121	166.9	44	0	0	0	0	108.8
68	S	45.7	Very low	52.7	Low	95 Å²	95	112.2 Å²	112.2	66%	0.664	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.7	66.6	169.5	62.1	0	0	0	0	117.1	Q66	Q66-S68 PolarHBondContact O-N 2.83Å; Q66-S68 VanDerWaalsContact O-N 3.16Å
69	I	45.5	Very low	50.9	Low	124 Å²	124	123.5 Å²	123.5	64%	0.636	59%	0.593	S	S	*	*			trans	-110.8	79.8	141.1	-54.8	177.6	0	0	0	106.5	R71	I69-R71 HydrophobicContact CG2-CB 3.77Å; I69-R71 HydrophobicContact CG2-CG 3.85Å; I69-R71 PolarHBondContact O-N 3.18Å
70	S	43.2	Very low	49.2	Very low	117 Å²	117	125.1 Å²	125.1	82%	0.818	61%	0.613	S	S	*	*			trans	-61.4	79.5	150.6	-178.3	0	0	0	0	105.7	Y72	S70-Y72 PolarHBondContact O-N 3.12Å
71	R	43.9	Very low	47.7	Very low	185 Å²	185	131.6 Å²	131.6	70%	0.698	65%	0.652	S	S	*	*			trans	-70.5	107.2	175	-137.6	-179.6	-77.2	-177.5	-3.3	104.4	I69 Y73	I69-R71 HydrophobicContact CG2-CB 3.77Å; I69-R71 HydrophobicContact CG2-CG 3.85Å; I69-R71 PolarHBondContact O-N 3.18Å; R71-Y73 WeakPolarHBondContact O-CD2 2.97Å; R71-Y73 PolarHBondContact O-N 2.86Å
72	Y	40.9	Very low	46.4	Very low	161 Å²	161	129.3 Å²	129.3	63%	0.631	66%	0.656	S	S	*	*			trans	-40.3	99.2	172.6	-179.5	-97.4	0	0	0	109.6	S70 R76	S70-Y72 PolarHBondContact O-N 3.12Å; Y72-R76 PolarHBondContact OH-NE 2.88Å; Y72-R76 PolarHBondContact OH-NH2 2.88Å
73	Y	45.5	Very low	45.5	Very low	119 Å²	119	128.8 Å²	128.8	47%	0.467	67%	0.669	S	S	.	*			trans	-70.5	127.3	173.6	-70	-79.6	0	0	0	107.2	R71 W75	R71-Y73 WeakPolarHBondContact O-CD2 2.97Å; R71-Y73 PolarHBondContact O-N 2.86Å; Y73-W75 PolarHBondContact O-N 3.37Å
74	P	44.5	Very low	44.9	Very low	96 Å²	96	134 Å²	134	62%	0.623	69%	0.689	S	S	*	*	S	Bend	trans	-70.1	-5.3	-175.1	-14.2	28.3	0	0	0	113.8	R76	P74-R76 PolarHBondContact O-N 3.24Å
75	W	46.1	Very low	44.7	Very low	196 Å²	196	131.4 Å²	131.4	74%	0.742	68%	0.677	S	S	*	*			trans	-77.6	71.5	-176.7	-52.7	104	0	0	0	110.8	Y73 K77	Y73-W75 PolarHBondContact O-N 3.37Å; W75-K77 PolarHBondContact O-N 2.97Å
76	R	40.2	Very low	44.8	Very low	204 Å²	204	129 Å²	129	77%	0.77	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	96.9	168.4	-75.2	-176.8	169.8	-151.4	0	110.3	Y72 P74	Y72-R76 PolarHBondContact OH-NE 2.88Å; Y72-R76 PolarHBondContact OH-NH2 2.88Å; P74-R76 PolarHBondContact O-N 3.24Å
77	K	45.1	Very low	45	Very low	196 Å²	196	131.3 Å²	131.3	85%	0.852	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.9	-19.3	139	-110.3	-178.9	-173.6	-177	0	112.5	W75	W75-K77 PolarHBondContact O-N 2.97Å
78	Y	40.3	Very low	45.7	Very low	197 Å²	197	135.6 Å²	135.6	77%	0.773	67%	0.674	S	S	*	*	S	Bend	trans	-98.2	92.7	169.7	-60.3	-77.9	0	0	0	108.9	S80	Y78-S80 PolarHBondContact O-N 2.91Å
79	R	39	Very low	46.8	Very low	238 Å²	238	132.7 Å²	132.7	90%	0.898	66%	0.659	S	S	*	*			trans	-60	107.7	167.1	-168.5	177	-156.6	165.5	4	105.9	V81	R79-V81 PolarHBondContact O-N 3.04Å
80	S	43.3	Very low	48.3	Very low	95 Å²	95	129.7 Å²	129.7	66%	0.664	64%	0.639	S	S	*	*			trans	-57.2	105.1	175	38.2	0	0	0	0	108	Y78 A82	Y78-S80 PolarHBondContact O-N 2.91Å; S80-A82 PolarHBondContact O-N 3.25Å; S80-A82 VanDerWaalsContact O-N 3.09Å
81	V	45.7	Very low	50.3	Low	138 Å²	138	124.2 Å²	124.2	84%	0.836	60%	0.601	S	S	*	*	S	Bend	trans	-57.8	113.6	162.9	177.8	0	0	0	0	104.4	R79 G83	R79-V81 PolarHBondContact O-N 3.04Å; V81-G83 PolarHBondContact O-N 2.68Å
82	A	45.9	Very low	52.2	Low	65 Å²	65	116.7 Å²	116.7	54%	0.537	57%	0.574	S	S	.	*			trans	28.3	93.7	171.7	0	0	0	0	0	113.5	S80 H84	S80-A82 PolarHBondContact O-N 3.25Å; S80-A82 VanDerWaalsContact O-N 3.09Å; A82-H84 PolarHBondContact O-CD2 3.12Å; A82-H84 PolarHBondContact O-N 3.07Å
83	G	43.2	Very low	54.3	Low	55 Å²	55	109 Å²	109	57%	0.567	54%	0.544	S	S	*	.			trans	-57.1	84.6	171.9	0	0	0	0	0	110.3	V81 S85	V81-G83 PolarHBondContact O-N 2.68Å; G83-S85 PolarHBondContact O-N 2.97Å
84	H	44.5	Very low	56.4	Low	153 Å²	153	103.4 Å²	103.4	71%	0.708	52%	0.521	S	S	*	.			trans	-63.6	98.9	163.6	-75.1	-69.1	0	0	0	103.9	A82 S86	A82-H84 PolarHBondContact O-CD2 3.12Å; A82-H84 PolarHBondContact O-N 3.07Å; H84-S86 PolarHBondContact O-N 2.9Å
85	S	51.7	Low	58.2	Low	96 Å²	96	104.2 Å²	104.2	67%	0.671	52%	0.517	S	S	*	.			trans	-48.6	116.6	166.8	-63	0	0	0	0	105.4	G83	G83-S85 PolarHBondContact O-N 2.97Å
86	S	52	Low	60	Low	17 Å²	17	96.9 Å²	96.9	12%	0.119	50%	0.495	C	S	.	.			trans	-39	120.7	-176.8	174.9	0	0	0	0	109.4	H84 R88 G89 R90	H84-S86 PolarHBondContact O-N 2.9Å; S86-R88 PolarHBondContact O-N 2.91Å; S86-G89 PolarHBondContact O-N 3.44Å; S86-G89 VanDerWaalsContact O-N 3.1Å; S86-R90 WeakPolarHBondContact CB-O 3.42Å; S86-R90 PolarHBondContact OG-O 2.82Å
87	P	54.4	Low	62.2	Low	124 Å²	124	87.1 Å²	87.1	81%	0.805	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-10.4	-160.7	-28.6	33	0	0	0	116
88	R	59.8	Low	63.9	Low	177 Å²	177	81.3 Å²	81.3	67%	0.668	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	22.4	-172.6	-66.5	-178	179.6	127.9	-4.1	113.7	S86 R90	S86-R88 PolarHBondContact O-N 2.91Å; R88-R90 HydrophobicContact CB-CG 4.19Å; R88-R90 PolarHBondContact O-N 3.36Å
89	G	68.7	Low	65.8	Low	34 Å²	34	79.1 Å²	79.1	35%	0.351	44%	0.439	S	S	.	.	S	Bend	trans	61.5	34.8	-176.6	0	0	0	0	0	111.9	K62 S86	K62-G89 WeakPolarHBondContact CA-O 2.86Å; K62-G89 WeakPolarHBondContact CB-O 3.2Å; K62-G89 VanDerWaalsContact CG-O 3.25Å; K62-G89 WeakPolarHBondContact CG-O 3.41Å; K62-G89 PolarHBondContact N-O 3.09Å; S86-G89 PolarHBondContact O-N 3.44Å; S86-G89 VanDerWaalsContact O-N 3.1Å
90	R	77.3	Confident	67.8	Low	60 Å²	60	71.2 Å²	71.2	23%	0.226	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	155	175.7	-57.5	-175.5	-153.5	163.8	-4.4	110.4	V60 Y61 K62 S86 R88	V60-R90 CarbonylContact O-C 3.55Å; V60-R90 VanDerWaalsContact O-CA 3.32Å; V60-R90 WeakPolarHBondContact O-CA 3.48Å; Y61-R90 HydrophobicContact CD1-CG 3.93Å; Y61-R90 HydrophobicContact CE1-CG 3.95Å; K62-R90 WeakPolarHBondContact CE-O 3.48Å; S86-R90 WeakPolarHBondContact CB-O 3.42Å; S86-R90 PolarHBondContact OG-O 2.82Å; R88-R90 HydrophobicContact CB-CG 4.19Å; R88-R90 PolarHBondContact O-N 3.36Å
91	C	83.4	Confident	69.4	Low	3 Å²	3	69.2 Å²	69.2	2%	0.02	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.4	164.8	63.7	0	0	0	0	110.5	V60 K62 D102 C104	V60-C91 PolarHBondContact N-O 2.97Å; V60-C91 PolarHBondContact O-N 3.36Å; K62-C91 HydrophobicContact CG-CB 4.45Å; C91-D102 VanDerWaalsContact CA-O 3.27Å; C91-D102 WeakPolarHBondContact CA-O 3.35Å; C91-D102 WeakPolarHBondContact CB-O 3.36Å; C91-C104 HydrophobicContact CB-CB 3.82Å; C91-C104 WeakPolarHBondContact CB-SG 3.3Å; C91-C104 WeakPolarHBondContact SG-CA 3.49Å; C91-C104 WeakPolarHBondContact SG-CB 3.45Å; C91-C104 CovalentContact SG-SG 2.04Å; C91-C104 PolarHBondContact SG-SG 2.81Å
92	F	84.1	Confident	71.2	Confident	27 Å²	27	63.4 Å²	63.4	12%	0.118	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.3	-178.2	-64.3	-93.3	0	0	0	111.4	F59 D94 C97 D102 C103 C104	F59-F92 HydrophobicContact CB-CD1 4.49Å; F59-F92 HydrophobicContact CB-CE1 4.21Å; F92-D94 VanDerWaalsContact CB-OD1 3.27Å; F92-D94 WeakPolarHBondContact CB-OD1 3.33Å; F92-C97 HydrophobicContact CB-CB 4.1Å; F92-D102 HydrophobicContact CD2-CB 4.1Å; F92-D102 VanDerWaalsContact CD2-CG 3.41Å; F92-D102 WeakPolarHBondContact CD2-OD2 3.48Å; F92-D102 WeakPolarHBondContact CE2-OD2 3.07Å; F92-D102 PolarHBondContact N-O 3.23Å; F92-C103 WeakPolarHBondContact O-CA 3.31Å; F92-C104 PolarHBondContact O-N 3.32Å
93	C	86.6	Confident	72.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.361	C	S	.	.			trans	-118.1	40.5	179	-62.4	0	0	0	0	111.7	C41 I49 C50 C51 C104 Y107	C41-C93 WeakPolarHBondContact CA-SG 3.24Å; C41-C93 HydrophobicContact CB-CB 3.81Å; C41-C93 WeakPolarHBondContact CB-SG 3.33Å; C41-C93 WeakPolarHBondContact SG-CB 3.49Å; C41-C93 CovalentContact SG-SG 2.03Å; C41-C93 PolarHBondContact SG-SG 3.01Å; I49-C93 WeakPolarHBondContact O-CB 3.38Å; C50-C93 WeakPolarHBondContact CA-O 3.31Å; C51-C93 PolarHBondContact N-O 3.43Å; C93-C104 PolarHBondContact SG-SG 3.25Å; C93-Y107 HydrophobicContact CB-CD2 4.45Å
94	D	88	Confident	74.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-118.4	163.3	180	72.1	-35.5	0	0	0	112	C51 R54 F92 S96 C97 Y107	C51-D94 WeakPolarHBondContact O-CA 3.25Å; C51-D94 VanDerWaalsContact O-CB 3.3Å; C51-D94 WeakPolarHBondContact O-CB 3.41Å; R54-D94 WeakPolarHBondContact CG-OD2 3.34Å; F92-D94 VanDerWaalsContact CB-OD1 3.27Å; F92-D94 WeakPolarHBondContact CB-OD1 3.33Å; D94-S96 PolarHBondContact O-N 3.47Å; D94-S96 WeakPolarHBondContact OD2-CB 3.42Å; D94-S96 PolarHBondContact OD2-OG 3.48Å; D94-C97 WeakPolarHBondContact O-CB 3.02Å; D94-C97 PolarHBondContact O-N 3.31Å; D94-C97 VanDerWaalsContact O-N 3.15Å; D94-C97 PolarHBondContact O-SG 3.42Å; D94-C97 WeakPolarHBondContact OD1-CB 3.35Å; D94-C97 PolarHBondContact OD1-N 1.99Å; D94-Y107 WeakPolarHBondContact O-CE2 3.04Å; D94-Y107 PolarHBondContact O-OH 2.81Å
95	E	83.6	Confident	76.8	Confident	114 Å²	114	57.3 Å²	57.3	53%	0.533	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.6	-178.6	-170.1	168.8	-140.1	0	0	112.6	C97 Y107 K115	E95-C97 PolarHBondContact O-N 2.98Å; E95-Y107 WeakPolarHBondContact CA-OH 2.88Å; E95-K115 IonicContact OE1-NZ 2.91Å
96	S	83.7	Confident	78.4	Confident	41 Å²	41	53.9 Å²	53.9	29%	0.287	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.1	-179.9	87	0	0	0	0	113.9	R54 D94 V98 I99 T100	R54-S96 PolarHBondContact NE-OG 2.82Å; D94-S96 PolarHBondContact O-N 3.47Å; D94-S96 WeakPolarHBondContact OD2-CB 3.42Å; D94-S96 PolarHBondContact OD2-OG 3.48Å; S96-V98 PolarHBondContact O-N 3.44Å; S96-I99 PolarHBondContact O-N 2.82Å; S96-T100 PolarHBondContact O-N 3.44Å; S96-T100 VanDerWaalsContact O-N 3.13Å; S96-T100 PolarHBondContact O-OG1 2.65Å
97	C	84.9	Confident	80	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-30	-179.2	83.5	0	0	0	0	112.5	F92 D94 E95 T100 G101 D102 C103 Y107	F92-C97 HydrophobicContact CB-CB 4.1Å; D94-C97 WeakPolarHBondContact O-CB 3.02Å; D94-C97 PolarHBondContact O-N 3.31Å; D94-C97 VanDerWaalsContact O-N 3.15Å; D94-C97 PolarHBondContact O-SG 3.42Å; D94-C97 WeakPolarHBondContact OD1-CB 3.35Å; D94-C97 PolarHBondContact OD1-N 1.99Å; E95-C97 PolarHBondContact O-N 2.98Å; C97-T100 WeakPolarHBondContact CA-OG1 3.33Å; C97-T100 PolarHBondContact O-OG1 3.36Å; C97-G101 WeakPolarHBondContact O-CA 3.45Å; C97-G101 PolarHBondContact O-N 2.76Å; C97-D102 VanDerWaalsContact CA-OD1 3.27Å; C97-D102 WeakPolarHBondContact CA-OD1 3Å; C97-D102 WeakPolarHBondContact CB-OD1 3.35Å; C97-D102 PolarHBondContact O-N 2.91Å; C97-C103 HydrophobicContact CB-CB 3.89Å; C97-C103 WeakPolarHBondContact CB-SG 3.47Å; C97-C103 PolarHBondContact O-SG 2.98Å; C97-C103 WeakPolarHBondContact SG-CA 3.09Å; C97-C103 WeakPolarHBondContact SG-CB 3.01Å; C97-C103 CovalentContact SG-SG 2.05Å; C97-C103 PolarHBondContact SG-SG 3.21Å; C97-Y107 VanDerWaalsContact SG-CD1 3.56Å
98	V	81.9	Confident	81.4	Confident	73 Å²	73	51.3 Å²	51.3	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-69	-40.1	-177.7	-176.6	0	0	0	0	110.7	S96 C103 Y107	S96-V98 PolarHBondContact O-N 3.44Å; V98-C103 PolarHBondContact N-SG 2.04Å; V98-Y107 HydrophobicContact CG2-CD1 4.32Å; V98-Y107 HydrophobicContact CG2-CE1 3.57Å
99	I	80.6	Confident	82.7	Confident	151 Å²	151	49.4 Å²	49.4	77%	0.774	27%	0.271	S	S	*	.	H	α-helix	trans	-73.2	-40.5	179.8	-59.4	172.2	0	0	0	110.1	S96	S96-I99 PolarHBondContact O-N 2.82Å
100	T	80.2	Confident	83.6	Confident	72 Å²	72	48.4 Å²	48.4	44%	0.442	26%	0.258	S	S	.	.	H	α-helix	trans	-83.7	-18.2	-176.5	49.2	0	0	0	0	113.7	R54 S96 C97 D102	R54-T100 PolarHBondContact NH2-OG1 2.55Å; R54-T100 VanDerWaalsContact NH2-OG1 3.1Å; S96-T100 PolarHBondContact O-N 3.44Å; S96-T100 VanDerWaalsContact O-N 3.13Å; S96-T100 PolarHBondContact O-OG1 2.65Å; C97-T100 WeakPolarHBondContact CA-OG1 3.33Å; C97-T100 PolarHBondContact O-OG1 3.36Å; T100-D102 PolarHBondContact OG1-OD1 2.82Å
101	G	76.3	Confident	84.1	Confident	53 Å²	53	45.5 Å²	45.5	55%	0.546	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	18.9	177.3	0	0	0	0	0	114.8	C97	C97-G101 WeakPolarHBondContact O-CA 3.45Å; C97-G101 PolarHBondContact O-N 2.76Å
102	D	83.3	Confident	84.2	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.091	27%	0.27	C	S	.	.			trans	-111.6	19.9	-176.1	63.2	8.1	0	0	0	114	R54 C91 F92 C97 T100	R54-D102 IonicContact CZ-OD2 3.24Å; R54-D102 IonicContact NH1-OD2 3.9Å; R54-D102 IonicContact NH2-OD1 2.83Å; R54-D102 IonicContact NH2-OD2 3.45Å; R54-D102 PolarHBondContact NH2-OD2 2.76Å; C91-D102 VanDerWaalsContact CA-O 3.27Å; C91-D102 WeakPolarHBondContact CA-O 3.35Å; C91-D102 WeakPolarHBondContact CB-O 3.36Å; F92-D102 HydrophobicContact CD2-CB 4.1Å; F92-D102 VanDerWaalsContact CD2-CG 3.41Å; F92-D102 WeakPolarHBondContact CD2-OD2 3.48Å; F92-D102 WeakPolarHBondContact CE2-OD2 3.07Å; F92-D102 PolarHBondContact N-O 3.23Å; C97-D102 VanDerWaalsContact CA-OD1 3.27Å; C97-D102 WeakPolarHBondContact CA-OD1 3Å; C97-D102 WeakPolarHBondContact CB-OD1 3.35Å; C97-D102 PolarHBondContact O-N 2.91Å; T100-D102 PolarHBondContact OG1-OD1 2.82Å
103	C	82.8	Confident	84.3	Confident	31 Å²	31	56.6 Å²	56.6	21%	0.209	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-58.4	147.7	177.8	-61.8	0	0	0	0	113.9	F92 C97 V98 Y107	F92-C103 WeakPolarHBondContact O-CA 3.31Å; C97-C103 HydrophobicContact CB-CB 3.89Å; C97-C103 WeakPolarHBondContact CB-SG 3.47Å; C97-C103 PolarHBondContact O-SG 2.98Å; C97-C103 WeakPolarHBondContact SG-CA 3.09Å; C97-C103 WeakPolarHBondContact SG-CB 3.01Å; C97-C103 CovalentContact SG-SG 2.05Å; C97-C103 PolarHBondContact SG-SG 3.21Å; V98-C103 PolarHBondContact N-SG 2.04Å; C103-Y107 HydrophobicContact CB-CD1 4.23Å; C103-Y107 HydrophobicContact CB-CG 4.27Å
104	C	85.3	Confident	84.3	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	31%	0.313	C	S	.	.			trans	-67.1	155.5	165.1	-63.2	0	0	0	0	111.1	C91 F92 C93 D106 Y107	C91-C104 HydrophobicContact CB-CB 3.82Å; C91-C104 WeakPolarHBondContact CB-SG 3.3Å; C91-C104 WeakPolarHBondContact SG-CA 3.49Å; C91-C104 WeakPolarHBondContact SG-CB 3.45Å; C91-C104 CovalentContact SG-SG 2.04Å; C91-C104 PolarHBondContact SG-SG 2.81Å; F92-C104 PolarHBondContact O-N 3.32Å; C93-C104 PolarHBondContact SG-SG 3.25Å; C104-D106 PolarHBondContact O-N 3.29Å; C104-Y107 VanDerWaalsContact O-CB 3.28Å; C104-Y107 WeakPolarHBondContact O-CB 3.35Å; C104-Y107 PolarHBondContact O-N 2.62Å; C104-Y107 VanDerWaalsContact O-N 3.17Å
105	H	83.1	Confident	84.4	Confident	113 Å²	113	62.6 Å²	62.6	52%	0.523	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.3	-170.9	69.8	67.5	0	0	0	113.5	N39	N39-H105 PolarHBondContact O-CD2 3.2Å; N39-H105 PolarHBondContact O-NE2 2.88Å
106	D	86.1	Confident	84.7	Confident	24 Å²	24	59.8 Å²	59.8	13%	0.128	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-2.5	-178.3	67.4	-38.4	0	0	0	113.2	G40 C41 L42 C104 Q108 F109 T110	G40-D106 WeakPolarHBondContact CA-OD1 3.29Å; C41-D106 VanDerWaalsContact N-CG 3.27Å; C41-D106 PolarHBondContact N-OD1 3.05Å; C41-D106 PolarHBondContact N-OD2 3.3Å; L42-D106 PolarHBondContact N-OD2 3.35Å; C104-D106 PolarHBondContact O-N 3.29Å; D106-Q108 VanDerWaalsContact C-N 3.25Å; D106-Q108 PolarHBondContact O-N 2.87Å; D106-Q108 VanDerWaalsContact O-N 3.12Å; D106-F109 PolarHBondContact O-N 3.01Å; D106-T110 WeakPolarHBondContact O-CB 3.41Å; D106-T110 PolarHBondContact O-N 2.95Å; D106-T110 PolarHBondContact O-OG1 3.39Å; D106-T110 PolarHBondContact OD2-OG1 3.29Å
107	Y	85.9	Confident	85.1	Confident	13 Å²	13	60.7 Å²	60.7	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-49.2	-44.6	-175.8	171.5	-101.5	0	0	0	113.2	C93 D94 E95 C97 V98 C103 C104 F109 C111 Q112	C93-Y107 HydrophobicContact CB-CD2 4.45Å; D94-Y107 WeakPolarHBondContact O-CE2 3.04Å; D94-Y107 PolarHBondContact O-OH 2.81Å; E95-Y107 WeakPolarHBondContact CA-OH 2.88Å; C97-Y107 VanDerWaalsContact SG-CD1 3.56Å; V98-Y107 HydrophobicContact CG2-CD1 4.32Å; V98-Y107 HydrophobicContact CG2-CE1 3.57Å; C103-Y107 HydrophobicContact CB-CD1 4.23Å; C103-Y107 HydrophobicContact CB-CG 4.27Å; C104-Y107 VanDerWaalsContact O-CB 3.28Å; C104-Y107 WeakPolarHBondContact O-CB 3.35Å; C104-Y107 PolarHBondContact O-N 2.62Å; C104-Y107 VanDerWaalsContact O-N 3.17Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 3.26Å; Y107-C111 HydrophobicContact CD2-CB 3.71Å; Y107-C111 HydrophobicContact CE2-CB 3.54Å; Y107-C111 WeakPolarHBondContact O-CA 3.39Å; Y107-C111 WeakPolarHBondContact O-CB 3.26Å; Y107-C111 PolarHBondContact O-N 3.41Å; Y107-Q112 PolarHBondContact O-N 3.14Å
108	Q	83.8	Confident	85.6	Confident	73 Å²	73	61.5 Å²	61.5	34%	0.341	33%	0.325	S	S	.	.	I	π-helix	trans	-61.7	-39.6	-179.1	-178.3	172.7	17.7	0	0	112.4	D106 Q112 K113	D106-Q108 VanDerWaalsContact C-N 3.25Å; D106-Q108 PolarHBondContact O-N 2.87Å; D106-Q108 VanDerWaalsContact O-N 3.12Å; Q108-Q112 WeakPolarHBondContact O-CB 3.09Å; Q108-K113 WeakPolarHBondContact O-CB 3.32Å; Q108-K113 PolarHBondContact O-N 3.38Å
109	F	86.4	Confident	86.2	Confident	138 Å²	138	60.7 Å²	60.7	61%	0.605	32%	0.32	S	S	*	.	I	π-helix	trans	-82.6	-40.5	-179.1	-175.1	-95.3	0	0	0	111.6	D106 Y107 K113	D106-F109 PolarHBondContact O-N 3.01Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 3.26Å; F109-K113 HydrophobicContact CD2-CD 3.83Å; F109-K113 HydrophobicContact CE2-CD 4.04Å
110	T	87.9	Confident	86.9	Confident	12 Å²	12	55 Å²	55	7%	0.074	29%	0.293	C	S	.	.	I	π-helix	trans	-83.4	-31.9	-172.5	-55.8	0	0	0	0	114	C41 L42 D106 T114	C41-T110 HydrophobicContact CB-CG2 3.88Å; L42-T110 HydrophobicContact CB-CG2 3.98Å; L42-T110 HydrophobicContact CD1-CG2 4.19Å; D106-T110 WeakPolarHBondContact O-CB 3.41Å; D106-T110 PolarHBondContact O-N 2.95Å; D106-T110 PolarHBondContact O-OG1 3.39Å; D106-T110 PolarHBondContact OD2-OG1 3.29Å; T110-T114 PolarHBondContact O-OG1 2.82Å
111	C	88.2	Confident	87.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-113.7	-50.7	-178	-62.4	0	0	0	0	112	C50 Y107 K115 N150	C50-C111 HydrophobicContact CB-CB 3.86Å; C50-C111 WeakPolarHBondContact CB-SG 3.43Å; C50-C111 WeakPolarHBondContact SG-CA 2.93Å; C50-C111 WeakPolarHBondContact SG-CB 3.44Å; C50-C111 CovalentContact SG-SG 2.04Å; C50-C111 PolarHBondContact SG-SG 3.31Å; Y107-C111 HydrophobicContact CD2-CB 3.71Å; Y107-C111 HydrophobicContact CE2-CB 3.54Å; Y107-C111 WeakPolarHBondContact O-CA 3.39Å; Y107-C111 WeakPolarHBondContact O-CB 3.26Å; Y107-C111 PolarHBondContact O-N 3.41Å; C111-K115 WeakPolarHBondContact O-CB 3.15Å; C111-K115 PolarHBondContact O-N 2.88Å; C111-N150 VanDerWaalsContact O-O 3.06Å
112	Q	85.1	Confident	88.2	Confident	105 Å²	105	58 Å²	58	49%	0.491	29%	0.29	S	S	.	.	I	π-helix	trans	-73.8	-45	-173.3	-171	179.7	16.3	0	0	112.8	Y107 Q108 K115	Y107-Q112 PolarHBondContact O-N 3.14Å; Q108-Q112 WeakPolarHBondContact O-CB 3.09Å; Q112-K115 VanDerWaalsContact O-CB 3.31Å; Q112-K115 WeakPolarHBondContact O-CB 3.29Å
113	K	86.5	Confident	88.5	Confident	157 Å²	157	60.4 Å²	60.4	68%	0.683	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-34.5	-176.6	-174.2	179.2	179.8	-177.4	0	113	Q108 F109 K115	Q108-K113 WeakPolarHBondContact O-CB 3.32Å; Q108-K113 PolarHBondContact O-N 3.38Å; F109-K113 HydrophobicContact CD2-CD 3.83Å; F109-K113 HydrophobicContact CE2-CD 4.04Å; K113-K115 VanDerWaalsContact C-N 3.31Å
114	T	87.5	Confident	88.6	Confident	58 Å²	58	59.6 Å²	59.6	36%	0.356	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	14.6	179.2	52.6	0	0	0	0	112	T110 V116 N150	T110-T114 PolarHBondContact O-OG1 2.82Å; T114-V116 PolarHBondContact O-N 3.03Å; T114-N150 WeakPolarHBondContact O-CB 3.43Å; T114-N150 PolarHBondContact O-ND2 2.91Å; T114-N150 PolarHBondContact OG1-ND2 3.22Å
115	K	88.5	Confident	88.6	Confident	69 Å²	69	64 Å²	64	30%	0.3	32%	0.324	S	S	.	.			trans	-57.9	125.1	175.3	177.6	164.6	166.7	152.3	0	110	E95 C111 Q112 K113 D117 N151	E95-K115 IonicContact OE1-NZ 2.91Å; C111-K115 WeakPolarHBondContact O-CB 3.15Å; C111-K115 PolarHBondContact O-N 2.88Å; Q112-K115 VanDerWaalsContact O-CB 3.31Å; Q112-K115 WeakPolarHBondContact O-CB 3.29Å; K113-K115 VanDerWaalsContact C-N 3.31Å; K115-D117 WeakPolarHBondContact CE-OD1 3.08Å; K115-N151 WeakPolarHBondContact CD-O 3.3Å; K115-N151 WeakPolarHBondContact CE-O 3.43Å; K115-N151 PolarHBondContact NZ-O 3.44Å
116	V	90.7	Very high	88.7	Confident	55 Å²	55	62.1 Å²	62.1	33%	0.333	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-117.2	109.4	175.2	-175.8	0	0	0	0	108	T114 I146 P148 S149 G152	T114-V116 PolarHBondContact O-N 3.03Å; V116-I146 HydrophobicContact CG1-CG2 3.51Å; V116-P148 VanDerWaalsContact O-CA 3.29Å; V116-P148 WeakPolarHBondContact O-CA 3.29Å; V116-S149 WeakPolarHBondContact CB-OG 3.25Å; V116-S149 WeakPolarHBondContact CG2-OG 3.28Å; V116-S149 PolarHBondContact N-O 2.87Å; V116-S149 PolarHBondContact O-N 2.85Å; V116-G152 VanDerWaalsContact O-CA 3.24Å; V116-G152 WeakPolarHBondContact O-CA 3.22Å
117	D	92.6	Very high	88.3	Confident	60 Å²	60	62.2 Å²	62.2	32%	0.321	31%	0.313	S	S	.	.			trans	-69.1	148.9	174.1	-73.3	-9.8	0	0	0	110.6	K115 T119 G152 K153	K115-D117 WeakPolarHBondContact CE-OD1 3.08Å; D117-T119 PolarHBondContact O-N 2.9Å; D117-G152 WeakPolarHBondContact OD1-CA 3.44Å; D117-K153 HydrophobicContact CB-CB 4.24Å; D117-K153 PolarHBondContact OD1-N 3.35Å; D117-K153 WeakPolarHBondContact OD2-CD 3.08Å
118	C	94.9	Very high	87.8	Confident	17 Å²	17	63.9 Å²	63.9	12%	0.115	33%	0.327	C	S	.	.			trans	-65	129.4	174.8	-176.9	0	0	0	0	111	I146 P148 K153 C155	C118-I146 WeakPolarHBondContact CA-O 3.35Å; C118-I146 PolarHBondContact SG-O 3.31Å; C118-I146 VanDerWaalsContact SG-O 3.36Å; C118-P148 HydrophobicContact CB-CB 4Å; C118-P148 HydrophobicContact CB-CG 4.07Å; C118-K153 WeakPolarHBondContact CB-O 3.28Å; C118-K153 PolarHBondContact N-O 3.33Å; C118-K153 VanDerWaalsContact N-O 3.08Å; C118-C155 HydrophobicContact CB-CB 3.86Å; C118-C155 WeakPolarHBondContact CB-SG 3.3Å; C118-C155 WeakPolarHBondContact SG-CA 3.31Å; C118-C155 WeakPolarHBondContact SG-CB 3.23Å; C118-C155 CovalentContact SG-SG 2.03Å; C118-C155 PolarHBondContact SG-SG 2.96Å
119	T	95.2	Very high	87.5	Confident	55 Å²	55	62 Å²	62	34%	0.337	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.3	169.1	69.5	0	0	0	0	109.8	D117 Q145 I146	D117-T119 PolarHBondContact O-N 2.9Å; T119-Q145 PolarHBondContact O-N 2.71Å; T119-I146 HydrophobicContact CG2-CD1 4.32Å; T119-I146 PolarHBondContact N-O 2.85Å; T119-I146 VanDerWaalsContact N-O 3.07Å; T119-I146 PolarHBondContact O-N 2.86Å; T119-I146 WeakPolarHBondContact OG1-CB 3.43Å; T119-I146 WeakPolarHBondContact OG1-CD1 3.41Å; T119-I146 WeakPolarHBondContact OG1-CG1 3.42Å; T119-I146 PolarHBondContact OG1-N 3.16Å
120	V	94.2	Very high	87	Confident	33 Å²	33	58 Å²	58	20%	0.2	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	157.2	-176.4	-62.9	0	0	0	0	109.9	Q143 V144 P156 L158	V120-Q143 CarbonylContact C-O 3.57Å; V120-Q143 WeakPolarHBondContact CA-O 3.4Å; V120-Q143 WeakPolarHBondContact CB-O 3.26Å; V120-V144 HydrophobicContact CG1-CG2 4.38Å; V120-P156 HydrophobicContact CG1-CG 4.13Å; V120-P156 HydrophobicContact CG2-CG 4.04Å; V120-L158 HydrophobicContact CG1-CD2 3.91Å
121	S	91.6	Very high	86.2	Confident	22 Å²	22	61.4 Å²	61.4	15%	0.154	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-69.7	168.2	175.7	73.2	0	0	0	0	111.9	Q143	S121-Q143 PolarHBondContact N-O 3.05Å; S121-Q143 PolarHBondContact OG-N 3.35Å
122	E	92.7	Very high	85.3	Confident	164 Å²	164	62.5 Å²	62.5	77%	0.766	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-56.4	156.1	161.6	-65.6	-56.4	147	0	0	111.4
123	W	89.9	Confident	84.7	Confident	68 Å²	68	57.8 Å²	57.8	26%	0.258	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-66.4	132.5	175.2	-75.4	111.7	0	0	0	111.2	R140 Y141 R142 E160	W123-R140 HydrophobicContact CD2-CG 4.12Å; W123-R140 HydrophobicContact CE3-CB 4.32Å; W123-R140 HydrophobicContact CE3-CG 3.67Å; W123-R140 HydrophobicContact CZ3-CG 4.09Å; W123-R140 WeakPolarHBondContact CZ3-O 3.45Å; W123-Y141 VanDerWaalsContact CE3-C 3.5Å; W123-R142 HydrophobicContact CD2-CB 4.27Å; W123-R142 HydrophobicContact CD2-CG 4.27Å; W123-R142 HydrophobicContact CE3-CB 3.82Å; W123-R142 HydrophobicContact CE3-CG 3.85Å; W123-R142 HydrophobicContact CH2-CG 3.94Å; W123-R142 HydrophobicContact CZ2-CG 4.33Å; W123-R142 HydrophobicContact CZ3-CB 4.11Å; W123-R142 HydrophobicContact CZ3-CG 3.68Å; W123-E160 HydrophobicContact CH2-CB 3.74Å; W123-E160 HydrophobicContact CZ2-CB 4.09Å; W123-E160 HydrophobicContact CZ3-CB 4.16Å
124	G	84.2	Confident	84.2	Confident	15 Å²	15	52 Å²	52	16%	0.155	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67	172.4	166	0	0	0	0	0	112.4	Y141	G124-Y141 PolarHBondContact N-O 3.45Å
125	P	85.1	Confident	84.1	Confident	94 Å²	94	57.4 Å²	57.4	61%	0.61	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-63.1	153.8	175.6	29.1	-35.1	0	0	0	111
126	W	84.7	Confident	83.6	Confident	72 Å²	72	54.8 Å²	54.8	27%	0.273	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-62.7	135.5	169.5	-72.8	103.2	0	0	0	110.5	S138 T139 R140 E160 R162	W126-S138 VanDerWaalsContact CZ3-O 3.26Å; W126-S138 WeakPolarHBondContact CZ3-O 3.33Å; W126-T139 VanDerWaalsContact CE3-C 3.49Å; W126-R140 HydrophobicContact CD2-CB 3.93Å; W126-R140 HydrophobicContact CD2-CG 4.09Å; W126-R140 HydrophobicContact CE3-CB 3.77Å; W126-R140 HydrophobicContact CE3-CG 3.92Å; W126-R140 HydrophobicContact CG-CB 4.46Å; W126-R140 HydrophobicContact CH2-CB 4.46Å; W126-R140 HydrophobicContact CH2-CG 3.68Å; W126-R140 VanDerWaalsContact CZ2-CD 3.46Å; W126-R140 HydrophobicContact CZ2-CG 3.85Å; W126-R140 HydrophobicContact CZ3-CB 4.05Å; W126-R140 HydrophobicContact CZ3-CG 3.71Å; W126-E160 HydrophobicContact CH2-CB 4.49Å; W126-E160 HydrophobicContact CH2-CG 4.2Å; W126-E160 VanDerWaalsContact CZ3-O 3.31Å; W126-E160 WeakPolarHBondContact CZ3-O 3.24Å; W126-R162 HydrophobicContact CD2-CG 4.3Å; W126-R162 VanDerWaalsContact CD2-NE 3.33Å; W126-R162 HydrophobicContact CE3-CG 3.84Å; W126-R162 VanDerWaalsContact CG-CZ 3.49Å; W126-R162 HydrophobicContact CH2-CB 3.8Å; W126-R162 HydrophobicContact CH2-CG 3.76Å; W126-R162 HydrophobicContact CZ2-CB 4.4Å; W126-R162 HydrophobicContact CZ2-CG 4.21Å; W126-R162 HydrophobicContact CZ3-CB 3.97Å; W126-R162 HydrophobicContact CZ3-CG 3.56Å
127	T	78.8	Confident	83.4	Confident	26 Å²	26	54.7 Å²	54.7	16%	0.16	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-69	161.2	171.6	65	0	0	0	0	110.5	S138 T139 Y141 L357	T127-S138 PolarHBondContact O-OG 2.88Å; T127-T139 WeakPolarHBondContact CB-O 3.33Å; T127-T139 WeakPolarHBondContact CG2-O 3.4Å; T127-T139 PolarHBondContact N-O 2.63Å; T127-T139 PolarHBondContact OG1-N 3.07Å; T127-T139 VanDerWaalsContact OG1-N 3.09Å; T127-T139 PolarHBondContact OG1-O 2.73Å; T127-T139 VanDerWaalsContact OG1-O 3.07Å; T127-Y141 HydrophobicContact CG2-CD2 4.44Å; T127-Y141 HydrophobicContact CG2-CE2 4.03Å; T127-L357 HydrophobicContact CG2-CD1 4.08Å; T127-L357 HydrophobicContact CG2-CD2 3.42Å; T127-L357 VanDerWaalsContact CG2-CD2 3.42Å; T127-L357 HydrophobicContact CG2-CG 4.28Å
128	S	75.3	Confident	83.1	Confident	49 Å²	49	51.9 Å²	51.9	34%	0.343	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-51.2	154.9	160.5	-53.6	0	0	0	0	110.5	E130 L348	S128-E130 PolarHBondContact O-N 3.46Å; S128-L348 PolarHBondContact OG-O 2.56Å
129	C	77.4	Confident	82.7	Confident	32 Å²	32	51.8 Å²	51.8	22%	0.216	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-54.2	137.2	171.8	-75.8	0	0	0	0	110.5	Y131 S136 C164	C129-Y131 WeakPolarHBondContact CB-O 3.43Å; C129-Y131 PolarHBondContact O-N 3.08Å; C129-S136 WeakPolarHBondContact CB-OG 3.02Å; C129-C164 WeakPolarHBondContact CA-SG 3.47Å; C129-C164 WeakPolarHBondContact CB-SG 3.36Å; C129-C164 WeakPolarHBondContact SG-CB 3.48Å; C129-C164 CovalentContact SG-SG 2.03Å; C129-C164 PolarHBondContact SG-SG 2.87Å
130	E	74.9	Confident	82.5	Confident	56 Å²	56	52 Å²	52	26%	0.262	28%	0.279	S	S	.	.	S	Bend	trans	-53.5	-43.9	177.3	-173.4	175.6	-176.7	0	0	110.3	S128 V137	S128-E130 PolarHBondContact O-N 3.46Å; E130-V137 HydrophobicContact CB-CG2 4.44Å; E130-V137 WeakPolarHBondContact CB-O 3.08Å; E130-V137 PolarHBondContact N-O 2.78Å; E130-V137 VanDerWaalsContact OE2-CG2 3.3Å; E130-V137 WeakPolarHBondContact OE2-CG2 3.29Å
131	Y	72.8	Confident	82.2	Confident	82 Å²	82	51.2 Å²	51.2	32%	0.322	27%	0.273	S	S	.	.	S	Bend	trans	-104.9	134	174	-51.4	-31.8	0	0	0	110.9	C129 C133 S136 V185	C129-Y131 WeakPolarHBondContact CB-O 3.43Å; C129-Y131 PolarHBondContact O-N 3.08Å; Y131-C133 PolarHBondContact O-N 3.06Å; Y131-C133 VanDerWaalsContact O-N 3.14Å; Y131-S136 PolarHBondContact N-OG 3.36Å; Y131-V185 HydrophobicContact CD1-CG1 3.16Å; Y131-V185 HydrophobicContact CD2-CG1 4.07Å; Y131-V185 HydrophobicContact CE1-CG1 3.34Å; Y131-V185 HydrophobicContact CE2-CG1 4.2Å; Y131-V185 HydrophobicContact CG-CG1 3.57Å
132	A	68.1	Low	82.2	Confident	24 Å²	24	52.5 Å²	52.5	20%	0.198	27%	0.274	C	S	.	.	S	Bend	trans	-63.8	-17.9	177.4	0	0	0	0	0	112.9	G166 H167 N168	A132-G166 CarbonylContact O-C 3.49Å; A132-G166 WeakPolarHBondContact O-CA 3.45Å; A132-H167 PolarHBondContact O-N 2.8Å; A132-H167 VanDerWaalsContact O-N 3.15Å; A132-N168 HydrophobicContact CB-CB 4.22Å; A132-N168 CarbonylContact O-C 3.52Å; A132-N168 WeakPolarHBondContact O-CA 3.01Å; A132-N168 PolarHBondContact O-N 2.94Å
133	C	72.3	Confident	81.9	Confident	6 Å²	6	47.7 Å²	47.7	4%	0.041	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.3	-174.1	47.5	0	0	0	0	112.1	Y131 G166 C169 P183 Y184	Y131-C133 PolarHBondContact O-N 3.06Å; Y131-C133 VanDerWaalsContact O-N 3.14Å; C133-G166 CarbonylContact C-O 3.13Å; C133-G166 WeakPolarHBondContact CA-O 3.38Å; C133-C169 HydrophobicContact CB-CB 4.02Å; C133-C169 WeakPolarHBondContact CB-SG 3.4Å; C133-P183 HydrophobicContact CB-CB 4.15Å; C133-P183 WeakPolarHBondContact SG-CB 3.44Å; C133-Y184 PolarHBondContact SG-O 2.99Å; C133-Y184 VanDerWaalsContact SG-O 3.34Å
134	G	77.1	Confident	81.9	Confident	35 Å²	35	46.9 Å²	46.9	36%	0.361	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-170.3	176.8	0	0	0	0	0	113.5	I165 G166	G134-I165 CarbonylContact O-C 3.56Å; G134-I165 WeakPolarHBondContact O-CA 3.48Å; G134-G166 PolarHBondContact N-O 2.92Å; G134-G166 PolarHBondContact O-N 3.35Å
135	Q	84.4	Confident	82.2	Confident	172 Å²	172	52.5 Å²	52.5	80%	0.804	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.7	176.8	-69.1	178.3	-7.2	0	0	110.2	I165	Q135-I165 HydrophobicContact CG-CG1 4.47Å
136	S	79.7	Confident	82.5	Confident	14 Å²	14	52 Å²	52	10%	0.098	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	-168	176.2	67.6	0	0	0	0	110.4	C129 Y131 C164	C129-S136 WeakPolarHBondContact CB-OG 3.02Å; Y131-S136 PolarHBondContact N-OG 3.36Å; S136-C164 PolarHBondContact N-O 3.4Å; S136-C164 PolarHBondContact O-N 2.03Å; S136-C164 PolarHBondContact OG-SG 3.36Å; S136-C164 VanDerWaalsContact OG-SG 3.37Å
137	V	85.9	Confident	82.8	Confident	52 Å²	52	56.7 Å²	56.7	32%	0.315	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.1	175.5	-64.1	0	0	0	0	111.8	E130 R162 C164	E130-V137 HydrophobicContact CB-CG2 4.44Å; E130-V137 WeakPolarHBondContact CB-O 3.08Å; E130-V137 PolarHBondContact N-O 2.78Å; E130-V137 VanDerWaalsContact OE2-CG2 3.3Å; E130-V137 WeakPolarHBondContact OE2-CG2 3.29Å; V137-R162 CarbonylContact C-O 3.47Å; V137-R162 VanDerWaalsContact CA-O 3.25Å; V137-R162 WeakPolarHBondContact CA-O 3.38Å; V137-C164 VanDerWaalsContact C-SG 3.5Å
138	S	86.2	Confident	83.4	Confident	2 Å²	2	58 Å²	58	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.8	168.4	167.2	0	0	0	0	107.3	W126 T127 T161 R162	W126-S138 VanDerWaalsContact CZ3-O 3.26Å; W126-S138 WeakPolarHBondContact CZ3-O 3.33Å; T127-S138 PolarHBondContact O-OG 2.88Å; S138-T161 CarbonylContact O-C 3.54Å; S138-T161 WeakPolarHBondContact O-CA 3.37Å; S138-R162 PolarHBondContact N-O 2.8Å; S138-R162 PolarHBondContact O-N 3.37Å
139	T	87.2	Confident	84	Confident	15 Å²	15	58 Å²	58	9%	0.092	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.2	-173.6	-49.7	0	0	0	0	109.7	W126 T127 Y141 N159 E160 T161	W126-T139 VanDerWaalsContact CE3-C 3.49Å; T127-T139 WeakPolarHBondContact CB-O 3.33Å; T127-T139 WeakPolarHBondContact CG2-O 3.4Å; T127-T139 PolarHBondContact N-O 2.63Å; T127-T139 PolarHBondContact OG1-N 3.07Å; T127-T139 VanDerWaalsContact OG1-N 3.09Å; T127-T139 PolarHBondContact OG1-O 2.73Å; T127-T139 VanDerWaalsContact OG1-O 3.07Å; T139-Y141 HydrophobicContact CG2-CD1 4.49Å; T139-Y141 HydrophobicContact CG2-CD2 4.3Å; T139-Y141 HydrophobicContact CG2-CE1 3.85Å; T139-Y141 HydrophobicContact CG2-CE2 3.61Å; T139-Y141 WeakPolarHBondContact CG2-OH 3.2Å; T139-N159 HydrophobicContact CG2-CB 4.16Å; T139-E160 CarbonylContact C-O 3.54Å; T139-E160 VanDerWaalsContact CA-O 3.25Å; T139-E160 WeakPolarHBondContact CA-O 3.25Å; T139-E160 WeakPolarHBondContact CG2-O 3.2Å; T139-T161 HydrophobicContact CG2-CG2 3.99Å
140	R	90.1	Very high	84.5	Confident	60 Å²	60	57.7 Å²	57.7	23%	0.226	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	155.6	167.1	64.1	176.4	-179.7	-175.2	-4.4	109.9	W123 W126 N159 E160	W123-R140 HydrophobicContact CD2-CG 4.12Å; W123-R140 HydrophobicContact CE3-CB 4.32Å; W123-R140 HydrophobicContact CE3-CG 3.67Å; W123-R140 HydrophobicContact CZ3-CG 4.09Å; W123-R140 WeakPolarHBondContact CZ3-O 3.45Å; W126-R140 HydrophobicContact CD2-CB 3.93Å; W126-R140 HydrophobicContact CD2-CG 4.09Å; W126-R140 HydrophobicContact CE3-CB 3.77Å; W126-R140 HydrophobicContact CE3-CG 3.92Å; W126-R140 HydrophobicContact CG-CB 4.46Å; W126-R140 HydrophobicContact CH2-CB 4.46Å; W126-R140 HydrophobicContact CH2-CG 3.68Å; W126-R140 VanDerWaalsContact CZ2-CD 3.46Å; W126-R140 HydrophobicContact CZ2-CG 3.85Å; W126-R140 HydrophobicContact CZ3-CB 4.05Å; W126-R140 HydrophobicContact CZ3-CG 3.71Å; R140-N159 CarbonylContact O-C 3.57Å; R140-N159 VanDerWaalsContact O-CA 3.28Å; R140-N159 WeakPolarHBondContact O-CA 3.34Å; R140-E160 HydrophobicContact CG-CB 4Å; R140-E160 IonicContact CZ-OE2 3.63Å; R140-E160 PolarHBondContact N-O 3.16Å; R140-E160 IonicContact NE-OE2 2.98Å; R140-E160 PolarHBondContact NE-OE2 2.89Å; R140-E160 IonicContact NH2-OE1 3.87Å; R140-E160 PolarHBondContact NH2-OE1 3.4Å; R140-E160 IonicContact NH2-OE2 2.71Å; R140-E160 PolarHBondContact NH2-OE2 3.48Å; R140-E160 PolarHBondContact O-N 3.06Å
141	Y	88.5	Confident	84.9	Confident	15 Å²	15	56.1 Å²	56.1	6%	0.059	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.6	-172.8	-59	-91.3	0	0	0	111.2	W123 G124 T127 T139 L158 N159 L357 P358	W123-Y141 VanDerWaalsContact CE3-C 3.5Å; G124-Y141 PolarHBondContact N-O 3.45Å; T127-Y141 HydrophobicContact CG2-CD2 4.44Å; T127-Y141 HydrophobicContact CG2-CE2 4.03Å; T139-Y141 HydrophobicContact CG2-CD1 4.49Å; T139-Y141 HydrophobicContact CG2-CD2 4.3Å; T139-Y141 HydrophobicContact CG2-CE1 3.85Å; T139-Y141 HydrophobicContact CG2-CE2 3.61Å; T139-Y141 WeakPolarHBondContact CG2-OH 3.2Å; Y141-L158 CarbonylContact C-O 3.58Å; Y141-L158 VanDerWaalsContact CA-O 3.3Å; Y141-L158 WeakPolarHBondContact CA-O 3.25Å; Y141-N159 HydrophobicContact CD1-CB 3.53Å; Y141-N159 HydrophobicContact CE1-CB 3.59Å; Y141-L357 HydrophobicContact CE2-CB 4.19Å; Y141-P358 HydrophobicContact CD1-CB 3.6Å; Y141-P358 HydrophobicContact CD1-CG 4.18Å; Y141-P358 HydrophobicContact CD2-CB 3.83Å; Y141-P358 HydrophobicContact CD2-CG 3.45Å; Y141-P358 VanDerWaalsContact CD2-CG 3.45Å; Y141-P358 HydrophobicContact CE1-CB 3.92Å; Y141-P358 WeakPolarHBondContact CE1-O 3.12Å; Y141-P358 HydrophobicContact CE2-CB 4.16Å; Y141-P358 HydrophobicContact CE2-CG 3.91Å; Y141-P358 HydrophobicContact CG-CB 3.52Å; Y141-P358 HydrophobicContact CG-CG 3.59Å; Y141-P358 PolarHBondContact OH-O 2.82Å
142	R	90.6	Very high	85.5	Confident	49 Å²	49	52.8 Å²	52.8	19%	0.185	28%	0.279	C	S	.	.			trans	-137.4	161.4	171.2	62.7	-177.7	174.5	-177.3	-7.9	110.1	W123 P156 E157 L158	W123-R142 HydrophobicContact CD2-CB 4.27Å; W123-R142 HydrophobicContact CD2-CG 4.27Å; W123-R142 HydrophobicContact CE3-CB 3.82Å; W123-R142 HydrophobicContact CE3-CG 3.85Å; W123-R142 HydrophobicContact CH2-CG 3.94Å; W123-R142 HydrophobicContact CZ2-CG 4.33Å; W123-R142 HydrophobicContact CZ3-CB 4.11Å; W123-R142 HydrophobicContact CZ3-CG 3.68Å; R142-P156 VanDerWaalsContact NH2-CG 3.32Å; R142-E157 VanDerWaalsContact CZ-O 3.26Å; R142-E157 PolarHBondContact NE-O 2.99Å; R142-E157 PolarHBondContact NH2-O 3.06Å; R142-L158 HydrophobicContact CG-CD2 4.26Å; R142-L158 PolarHBondContact N-O 3.44Å
143	Q	86.7	Confident	86.5	Confident	64 Å²	64	58 Å²	58	30%	0.299	30%	0.297	S	S	.	.			trans	-111.2	153.6	-177.8	-72.4	177.4	-84.7	0	0	111.7	V120 S121 Q145 I381	V120-Q143 CarbonylContact C-O 3.57Å; V120-Q143 WeakPolarHBondContact CA-O 3.4Å; V120-Q143 WeakPolarHBondContact CB-O 3.26Å; S121-Q143 PolarHBondContact N-O 3.05Å; S121-Q143 PolarHBondContact OG-N 3.35Å; Q143-Q145 PolarHBondContact O-N 2.91Å; Q143-I381 HydrophobicContact CB-CD1 4.49Å; Q143-I381 HydrophobicContact CG-CD1 3.94Å; Q143-I381 HydrophobicContact CG-CG1 3.89Å; Q143-I381 VanDerWaalsContact OE1-N 3.16Å
144	V	89.9	Confident	87.4	Confident	50 Å²	50	62.9 Å²	62.9	30%	0.303	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.2	168.5	179.7	0	0	0	0	108.7	V120 I146 K147 C155 L158	V120-V144 HydrophobicContact CG1-CG2 4.38Å; V144-I146 WeakPolarHBondContact CG1-O 3.31Å; V144-K147 HydrophobicContact CG1-CG 3.94Å; V144-C155 HydrophobicContact CG2-CB 4.27Å; V144-L158 HydrophobicContact CG2-CD1 3.91Å; V144-L158 HydrophobicContact CG2-CD2 3.78Å; V144-L158 HydrophobicContact CG2-CG 4.47Å
145	Q	90.1	Very high	88.2	Confident	134 Å²	134	63.3 Å²	63.3	63%	0.626	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	-45.9	173	-71.8	-177.1	-11.5	0	0	110.7	T119 Q143	T119-Q145 PolarHBondContact O-N 2.71Å; Q143-Q145 PolarHBondContact O-N 2.91Å
146	I	92.3	Very high	88.7	Confident	83 Å²	83	58 Å²	58	43%	0.426	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121	176.4	-57	173.8	0	0	0	107.9	V116 C118 T119 V144	V116-I146 HydrophobicContact CG1-CG2 3.51Å; C118-I146 WeakPolarHBondContact CA-O 3.35Å; C118-I146 PolarHBondContact SG-O 3.31Å; C118-I146 VanDerWaalsContact SG-O 3.36Å; T119-I146 HydrophobicContact CG2-CD1 4.32Å; T119-I146 PolarHBondContact N-O 2.85Å; T119-I146 VanDerWaalsContact N-O 3.07Å; T119-I146 PolarHBondContact O-N 2.86Å; T119-I146 WeakPolarHBondContact OG1-CB 3.43Å; T119-I146 WeakPolarHBondContact OG1-CD1 3.41Å; T119-I146 WeakPolarHBondContact OG1-CG1 3.42Å; T119-I146 PolarHBondContact OG1-N 3.16Å; V144-I146 WeakPolarHBondContact CG1-O 3.31Å
147	K	91.4	Very high	89.3	Confident	171 Å²	171	64.5 Å²	64.5	74%	0.743	34%	0.335	S	S	*	.			trans	-71.3	143.6	174.5	-69.7	-177	-179.2	179.8	0	109.7	V144	V144-K147 HydrophobicContact CG1-CG 3.94Å
148	P	90.4	Very high	89.5	Confident	53 Å²	53	64.5 Å²	64.5	34%	0.344	33%	0.333	S	S	.	.			trans	-66.8	139.7	178.2	28.3	-31.8	0	0	0	110.1	V116 C118 K153	V116-P148 VanDerWaalsContact O-CA 3.29Å; V116-P148 WeakPolarHBondContact O-CA 3.29Å; C118-P148 HydrophobicContact CB-CB 4Å; C118-P148 HydrophobicContact CB-CG 4.07Å; P148-K153 WeakPolarHBondContact CB-O 3.32Å
149	S	88.8	Confident	89.8	Confident	49 Å²	49	68 Å²	68	34%	0.343	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-140.8	160.9	173.7	74.1	0	0	0	0	110.2	V116 N151 G152	V116-S149 WeakPolarHBondContact CB-OG 3.25Å; V116-S149 WeakPolarHBondContact CG2-OG 3.28Å; V116-S149 PolarHBondContact N-O 2.87Å; V116-S149 PolarHBondContact O-N 2.85Å; S149-N151 PolarHBondContact O-N 2.77Å; S149-G152 PolarHBondContact O-N 2.72Å
150	N	87.6	Confident	90.1	Very high	26 Å²	26	70.8 Å²	70.8	14%	0.139	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	47.2	175.3	-61.5	-26.6	0	0	0	113.6	S48 C50 C111 T114 G152	S48-N150 WeakPolarHBondContact CB-OD1 3.41Å; S48-N150 PolarHBondContact OG-OD1 3.07Å; C50-N150 HydrophobicContact CB-CB 4.37Å; C50-N150 PolarHBondContact SG-OD1 2.98Å; C111-N150 VanDerWaalsContact O-O 3.06Å; T114-N150 WeakPolarHBondContact O-CB 3.43Å; T114-N150 PolarHBondContact O-ND2 2.91Å; T114-N150 PolarHBondContact OG1-ND2 3.22Å; N150-G152 PolarHBondContact O-N 2.95Å
151	N	82.6	Confident	90.2	Very high	22 Å²	22	72.1 Å²	72.1	12%	0.118	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	26	-176.6	-54.4	-14.8	0	0	0	113.8	C50 C51 K115 S149	C50-N151 PolarHBondContact O-OD1 2.85Å; C51-N151 WeakPolarHBondContact CA-OD1 3.46Å; C51-N151 PolarHBondContact N-OD1 2.71Å; C51-N151 VanDerWaalsContact O-CG 3.31Å; C51-N151 PolarHBondContact O-ND2 2.96Å; C51-N151 PolarHBondContact O-OD1 3.26Å; K115-N151 WeakPolarHBondContact CD-O 3.3Å; K115-N151 WeakPolarHBondContact CE-O 3.43Å; K115-N151 PolarHBondContact NZ-O 3.44Å; S149-N151 PolarHBondContact O-N 2.77Å
152	G	86	Confident	90.5	Very high	13 Å²	13	76.9 Å²	76.9	13%	0.134	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-47.9	149.7	164.6	0	0	0	0	0	113	V116 D117 S149 N150	V116-G152 VanDerWaalsContact O-CA 3.24Å; V116-G152 WeakPolarHBondContact O-CA 3.22Å; D117-G152 WeakPolarHBondContact OD1-CA 3.44Å; S149-G152 PolarHBondContact O-N 2.72Å; N150-G152 PolarHBondContact O-N 2.95Å
153	K	89.6	Confident	90.6	Very high	133 Å²	133	80.2 Å²	80.2	58%	0.578	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-55.3	133.2	169.5	-70.1	177.9	-175.1	169.6	0	109.8	D117 C118 P148	D117-K153 HydrophobicContact CB-CB 4.24Å; D117-K153 PolarHBondContact OD1-N 3.35Å; D117-K153 WeakPolarHBondContact OD2-CD 3.08Å; C118-K153 WeakPolarHBondContact CB-O 3.28Å; C118-K153 PolarHBondContact N-O 3.33Å; C118-K153 VanDerWaalsContact N-O 3.08Å; P148-K153 WeakPolarHBondContact CB-O 3.32Å
154	P	90.7	Very high	90.6	Very high	108 Å²	108	78.3 Å²	78.3	70%	0.701	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-62.6	158.1	177.8	28.4	-35.1	0	0	0	110.5
155	C	93.1	Very high	90.4	Very high	44 Å²	44	80.7 Å²	80.7	30%	0.297	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-63.8	138.6	177.7	-57.8	0	0	0	0	110.8	C118 V144	C118-C155 HydrophobicContact CB-CB 3.86Å; C118-C155 WeakPolarHBondContact CB-SG 3.3Å; C118-C155 WeakPolarHBondContact SG-CA 3.31Å; C118-C155 WeakPolarHBondContact SG-CB 3.23Å; C118-C155 CovalentContact SG-SG 2.03Å; C118-C155 PolarHBondContact SG-SG 2.96Å; V144-C155 HydrophobicContact CG2-CB 4.27Å
156	P	94.7	Very high	89.6	Confident	61 Å²	61	74.7 Å²	74.7	40%	0.396	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-67.7	173.2	169.6	34.2	-38.1	0	0	0	110.3	V120 R142 L158	V120-P156 HydrophobicContact CG1-CG 4.13Å; V120-P156 HydrophobicContact CG2-CG 4.04Å; R142-P156 VanDerWaalsContact NH2-CG 3.32Å; P156-L158 PolarHBondContact O-N 2.77Å
157	E	93	Very high	88.7	Confident	151 Å²	151	78.3 Å²	78.3	71%	0.706	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-55.2	135.4	178.7	-65.9	-176.4	169.8	0	0	111.8	R142	R142-E157 VanDerWaalsContact CZ-O 3.26Å; R142-E157 PolarHBondContact NE-O 2.99Å; R142-E157 PolarHBondContact NH2-O 3.06Å
158	L	91	Very high	87.6	Confident	51 Å²	51	75 Å²	75	27%	0.267	41%	0.407	S	S	.	.	S	Bend	trans	-94.4	-7.3	-176	-61.8	179.9	0	0	0	113.1	V120 Y141 R142 V144 P156	V120-L158 HydrophobicContact CG1-CD2 3.91Å; Y141-L158 CarbonylContact C-O 3.58Å; Y141-L158 VanDerWaalsContact CA-O 3.3Å; Y141-L158 WeakPolarHBondContact CA-O 3.25Å; R142-L158 HydrophobicContact CG-CD2 4.26Å; R142-L158 PolarHBondContact N-O 3.44Å; V144-L158 HydrophobicContact CG2-CD1 3.91Å; V144-L158 HydrophobicContact CG2-CD2 3.78Å; V144-L158 HydrophobicContact CG2-CG 4.47Å; P156-L158 PolarHBondContact O-N 2.77Å
159	N	90.8	Very high	86.5	Confident	76 Å²	76	76.4 Å²	76.4	41%	0.406	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.9	176.1	59.1	-6	0	0	0	110	T139 R140 Y141	T139-N159 HydrophobicContact CG2-CB 4.16Å; R140-N159 CarbonylContact O-C 3.57Å; R140-N159 VanDerWaalsContact O-CA 3.28Å; R140-N159 WeakPolarHBondContact O-CA 3.34Å; Y141-N159 HydrophobicContact CD1-CB 3.53Å; Y141-N159 HydrophobicContact CE1-CB 3.59Å
160	E	94.3	Very high	85.2	Confident	73 Å²	73	76.9 Å²	76.9	34%	0.341	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.1	175.8	-175	-179	179.3	0	0	108.4	W123 W126 T139 R140	W123-E160 HydrophobicContact CH2-CB 3.74Å; W123-E160 HydrophobicContact CZ2-CB 4.09Å; W123-E160 HydrophobicContact CZ3-CB 4.16Å; W126-E160 HydrophobicContact CH2-CB 4.49Å; W126-E160 HydrophobicContact CH2-CG 4.2Å; W126-E160 VanDerWaalsContact CZ3-O 3.31Å; W126-E160 WeakPolarHBondContact CZ3-O 3.24Å; T139-E160 CarbonylContact C-O 3.54Å; T139-E160 VanDerWaalsContact CA-O 3.25Å; T139-E160 WeakPolarHBondContact CA-O 3.25Å; T139-E160 WeakPolarHBondContact CG2-O 3.2Å; R140-E160 HydrophobicContact CG-CB 4Å; R140-E160 IonicContact CZ-OE2 3.63Å; R140-E160 PolarHBondContact N-O 3.16Å; R140-E160 IonicContact NE-OE2 2.98Å; R140-E160 PolarHBondContact NE-OE2 2.89Å; R140-E160 IonicContact NH2-OE1 3.87Å; R140-E160 PolarHBondContact NH2-OE1 3.4Å; R140-E160 IonicContact NH2-OE2 2.71Å; R140-E160 PolarHBondContact NH2-OE2 3.48Å; R140-E160 PolarHBondContact O-N 3.06Å
161	T	92	Very high	83.8	Confident	89 Å²	89	79.6 Å²	79.6	55%	0.546	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.7	-177.3	60.5	0	0	0	0	110.6	S138 T139	S138-T161 CarbonylContact O-C 3.54Å; S138-T161 WeakPolarHBondContact O-CA 3.37Å; T139-T161 HydrophobicContact CG2-CG2 3.99Å
162	R	94.7	Very high	82.4	Confident	114 Å²	114	85 Å²	85	43%	0.43	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.4	171.7	71.7	177.6	176.6	170.6	2.4	110.5	W126 V137 S138	W126-R162 HydrophobicContact CD2-CG 4.3Å; W126-R162 VanDerWaalsContact CD2-NE 3.33Å; W126-R162 HydrophobicContact CE3-CG 3.84Å; W126-R162 VanDerWaalsContact CG-CZ 3.49Å; W126-R162 HydrophobicContact CH2-CB 3.8Å; W126-R162 HydrophobicContact CH2-CG 3.76Å; W126-R162 HydrophobicContact CZ2-CB 4.4Å; W126-R162 HydrophobicContact CZ2-CG 4.21Å; W126-R162 HydrophobicContact CZ3-CB 3.97Å; W126-R162 HydrophobicContact CZ3-CG 3.56Å; V137-R162 CarbonylContact C-O 3.47Å; V137-R162 VanDerWaalsContact CA-O 3.25Å; V137-R162 WeakPolarHBondContact CA-O 3.38Å; S138-R162 PolarHBondContact N-O 2.8Å; S138-R162 PolarHBondContact O-N 3.37Å
163	P	93.5	Very high	80.7	Confident	120 Å²	120	94.5 Å²	94.5	78%	0.779	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	144	170.9	28.1	-34.4	0	0	0	110.7
164	C	87.2	Confident	78.8	Confident	24 Å²	24	94.7 Å²	94.7	16%	0.162	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	166.1	174	77.2	0	0	0	0	110.7	C129 S136 V137	C129-C164 WeakPolarHBondContact CA-SG 3.47Å; C129-C164 WeakPolarHBondContact CB-SG 3.36Å; C129-C164 WeakPolarHBondContact SG-CB 3.48Å; C129-C164 CovalentContact SG-SG 2.03Å; C129-C164 PolarHBondContact SG-SG 2.87Å; S136-C164 PolarHBondContact N-O 3.4Å; S136-C164 PolarHBondContact O-N 2.03Å; S136-C164 PolarHBondContact OG-SG 3.36Å; S136-C164 VanDerWaalsContact OG-SG 3.37Å; V137-C164 VanDerWaalsContact C-SG 3.5Å
165	I	84.1	Confident	76.9	Confident	100 Å²	100	92.4 Å²	92.4	51%	0.513	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.7	-179.7	-58.4	175.1	0	0	0	108.4	G134 Q135	G134-I165 CarbonylContact O-C 3.56Å; G134-I165 WeakPolarHBondContact O-CA 3.48Å; Q135-I165 HydrophobicContact CG-CG1 4.47Å
166	G	73.3	Confident	75.2	Confident	7 Å²	7	102.9 Å²	102.9	7%	0.072	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	134.3	170.1	0	0	0	0	0	110.9	A132 C133 G134	A132-G166 CarbonylContact O-C 3.49Å; A132-G166 WeakPolarHBondContact O-CA 3.45Å; C133-G166 CarbonylContact C-O 3.13Å; C133-G166 WeakPolarHBondContact CA-O 3.38Å; G134-G166 PolarHBondContact N-O 2.92Å; G134-G166 PolarHBondContact O-N 3.35Å
167	H	75	Confident	73.3	Confident	159 Å²	159	105 Å²	105	74%	0.736	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	-10.6	-177.7	-61.5	-66.8	0	0	0	114.1	A132 C169	A132-H167 PolarHBondContact O-N 2.8Å; A132-H167 VanDerWaalsContact O-N 3.15Å; H167-C169 VanDerWaalsContact C-N 3.28Å; H167-C169 PolarHBondContact O-N 3.42Å
168	N	68.6	Low	71.3	Confident	102 Å²	102	99.9 Å²	99.9	55%	0.545	53%	0.534	S	S	.	.			trans	-87	66.1	-177.4	-72.9	-14.2	0	0	0	111	A132 A170	A132-N168 HydrophobicContact CB-CB 4.22Å; A132-N168 CarbonylContact O-C 3.52Å; A132-N168 WeakPolarHBondContact O-CA 3.01Å; A132-N168 PolarHBondContact O-N 2.94Å; N168-A170 PolarHBondContact O-N 2.88Å
169	C	65.2	Low	69.3	Low	83 Å²	83	103 Å²	103	56%	0.561	56%	0.556	S	S	*	*			trans	-80.1	78.2	176.8	-56.6	0	0	0	0	110.6	C133 H167 S171	C133-C169 HydrophobicContact CB-CB 4.02Å; C133-C169 WeakPolarHBondContact CB-SG 3.4Å; H167-C169 VanDerWaalsContact C-N 3.28Å; H167-C169 PolarHBondContact O-N 3.42Å; C169-S171 PolarHBondContact O-N 3.4Å
170	A	62.6	Low	67.3	Low	58 Å²	58	105.2 Å²	105.2	48%	0.479	57%	0.567	S	S	.	*			trans	-75	110	167.3	0	0	0	0	0	109.2	N168 K172	N168-A170 PolarHBondContact O-N 2.88Å; A170-K172 PolarHBondContact O-N 2.82Å; A170-K172 VanDerWaalsContact O-N 3.12Å
171	S	57.7	Low	65	Low	83 Å²	83	105.8 Å²	105.8	58%	0.58	57%	0.57	S	S	*	*			trans	-82.9	84.8	177.8	60.9	0	0	0	0	109.8	C169 R173 M181	C169-S171 PolarHBondContact O-N 3.4Å; S171-R173 PolarHBondContact O-N 3.4Å; S171-M181 VanDerWaalsContact C-CE 3.49Å; S171-M181 VanDerWaalsContact CB-CE 3.49Å; S171-M181 VanDerWaalsContact CB-SD 3.54Å; S171-M181 VanDerWaalsContact O-CE 3.29Å; S171-M181 WeakPolarHBondContact O-CE 3.17Å
172	K	52.6	Low	62.9	Low	137 Å²	137	104.7 Å²	104.7	60%	0.596	56%	0.563	S	S	*	*			trans	-76	121.2	167.7	-82.6	-170.6	177.7	178.4	0	108.9	A170 F174	A170-K172 PolarHBondContact O-N 2.82Å; A170-K172 VanDerWaalsContact O-N 3.12Å; K172-F174 HydrophobicContact CB-CE2 4.48Å; K172-F174 PolarHBondContact O-N 2.89Å; K172-F174 VanDerWaalsContact O-N 3.1Å
173	R	51.3	Low	60.6	Low	211 Å²	211	102.3 Å²	102.3	80%	0.796	56%	0.563	S	S	*	*			trans	-65.6	105.4	169	-71	179.9	179.2	165.6	0.3	108.3	S171 G175 M181	S171-R173 PolarHBondContact O-N 3.4Å; R173-G175 PolarHBondContact O-N 2.03Å; R173-M181 HydrophobicContact CB-CE 4.19Å; R173-M181 HydrophobicContact CG-CE 3.49Å; R173-M181 VanDerWaalsContact CG-CE 3.49Å
174	F	50.4	Low	58.6	Low	138 Å²	138	102.6 Å²	102.6	61%	0.605	55%	0.549	S	S	*	.			trans	-80.7	112.7	166.4	-84.3	-87.9	0	0	0	108.9	K172	K172-F174 HydrophobicContact CB-CE2 4.48Å; K172-F174 PolarHBondContact O-N 2.89Å; K172-F174 VanDerWaalsContact O-N 3.1Å
175	G	50.3	Low	57	Low	60 Å²	60	104.4 Å²	104.4	62%	0.619	56%	0.56	S	S	*	*	S	Bend	trans	81.3	164	171.1	0	0	0	0	0	115.9	R173 S177	R173-G175 PolarHBondContact O-N 2.03Å; G175-S177 PolarHBondContact O-N 3.09Å
176	R	56.6	Low	55.8	Low	264 Å²	264	100.6 Å²	100.6	100%	0.996	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.5	178.9	-83.4	-175.4	167.1	105.1	-2.4	113.9
177	S	55.6	Low	55.5	Low	104 Å²	104	103.8 Å²	103.8	73%	0.727	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-3.5	-173.5	-158.1	0	0	0	0	114.9	G175 T179	G175-S177 PolarHBondContact O-N 3.09Å; S177-T179 PolarHBondContact O-N 2.68Å; S177-T179 PolarHBondContact O-OG1 3.07Å
178	G	50.1	Low	55.4	Low	45 Å²	45	96.5 Å²	96.5	46%	0.464	52%	0.521	S	S	.	.			trans	66.3	-7.8	168	0	0	0	0	0	117.5
179	T	50.3	Low	55.7	Low	116 Å²	116	97.3 Å²	97.3	71%	0.712	52%	0.519	S	S	*	.			trans	-95.5	-9.2	-166.7	-11	0	0	0	0	116.6	S177	S177-T179 PolarHBondContact O-N 2.68Å; S177-T179 PolarHBondContact O-OG1 3.07Å
180	L	48.7	Very low	56.4	Low	123 Å²	123	95.6 Å²	95.6	64%	0.644	51%	0.511	S	S	*	.			trans	-117	91.2	170.6	-99.5	105.6	0	0	0	110.7	V182	L180-V182 HydrophobicContact CB-CG2 4.35Å; L180-V182 HydrophobicContact CD2-CG2 3.8Å; L180-V182 PolarHBondContact O-N 2.87Å; L180-V182 VanDerWaalsContact O-N 3.13Å
181	M	45.1	Very low	57.5	Low	84 Å²	84	93.7 Å²	93.7	41%	0.414	49%	0.492	S	S	.	.			trans	-78.9	81.2	156.7	-51.1	-131.2	85.3	0	0	106.1	S171 R173 P183	S171-M181 VanDerWaalsContact C-CE 3.49Å; S171-M181 VanDerWaalsContact CB-CE 3.49Å; S171-M181 VanDerWaalsContact CB-SD 3.54Å; S171-M181 VanDerWaalsContact O-CE 3.29Å; S171-M181 WeakPolarHBondContact O-CE 3.17Å; R173-M181 HydrophobicContact CB-CE 4.19Å; R173-M181 HydrophobicContact CG-CE 3.49Å; R173-M181 VanDerWaalsContact CG-CE 3.49Å; M181-P183 VanDerWaalsContact O-CD 3.31Å; M181-P183 WeakPolarHBondContact O-CD 2.97Å
182	V	47.5	Very low	59	Low	66 Å²	66	91.9 Å²	91.9	40%	0.4	48%	0.478	S	S	.	.			trans	-63.8	121	164.4	-168.5	0	0	0	0	104.3	L180 Y184	L180-V182 HydrophobicContact CB-CG2 4.35Å; L180-V182 HydrophobicContact CD2-CG2 3.8Å; L180-V182 PolarHBondContact O-N 2.87Å; L180-V182 VanDerWaalsContact O-N 3.13Å; V182-Y184 PolarHBondContact O-N 2.87Å
183	P	47.3	Very low	61	Low	65 Å²	65	85.4 Å²	85.4	42%	0.422	45%	0.449	S	S	.	.			trans	-48.6	137.9	170	-18.6	29.7	0	0	0	106.5	C133 M181 V185	C133-P183 HydrophobicContact CB-CB 4.15Å; C133-P183 WeakPolarHBondContact SG-CB 3.44Å; M181-P183 VanDerWaalsContact O-CD 3.31Å; M181-P183 WeakPolarHBondContact O-CD 2.97Å; P183-V185 HydrophobicContact CB-CG2 4.31Å; P183-V185 WeakPolarHBondContact O-CG2 3.49Å; P183-V185 PolarHBondContact O-N 3.28Å
184	Y	50.1	Low	62.9	Low	126 Å²	126	78.7 Å²	78.7	49%	0.494	43%	0.427	S	S	.	.			trans	-65.3	85.2	173.6	-175.3	-98.9	0	0	0	107.1	C133 V182 Y186	C133-Y184 PolarHBondContact SG-O 2.99Å; C133-Y184 VanDerWaalsContact SG-O 3.34Å; V182-Y184 PolarHBondContact O-N 2.87Å; Y184-Y186 VanDerWaalsContact C-N 3.35Å; Y184-Y186 HydrophobicContact CE1-CD2 4.01Å; Y184-Y186 PolarHBondContact O-N 3.49Å
185	V	53.6	Low	64.7	Low	62 Å²	62	72.1 Å²	72.1	38%	0.376	40%	0.398	S	S	.	.			trans	-72.3	100.9	179.6	-179.7	0	0	0	0	104	Y131 P183 D187	Y131-V185 HydrophobicContact CD1-CG1 3.16Å; Y131-V185 HydrophobicContact CD2-CG1 4.07Å; Y131-V185 HydrophobicContact CE1-CG1 3.34Å; Y131-V185 HydrophobicContact CE2-CG1 4.2Å; Y131-V185 HydrophobicContact CG-CG1 3.57Å; P183-V185 HydrophobicContact CB-CG2 4.31Å; P183-V185 WeakPolarHBondContact O-CG2 3.49Å; P183-V185 PolarHBondContact O-N 3.28Å; V185-D187 PolarHBondContact O-N 2.92Å; V185-D187 VanDerWaalsContact O-N 3.14Å
186	Y	58.7	Low	66.3	Low	19 Å²	19	71.7 Å²	71.7	8%	0.075	38%	0.382	C	S	.	.			trans	-64.6	110.5	176.4	-170.7	-82.9	0	0	0	108.1	Y184 I188 E191 L348 R351	Y184-Y186 VanDerWaalsContact C-N 3.35Å; Y184-Y186 HydrophobicContact CE1-CD2 4.01Å; Y184-Y186 PolarHBondContact O-N 3.49Å; Y186-I188 HydrophobicContact CD1-CG1 4.12Å; Y186-I188 HydrophobicContact CE1-CG1 3.97Å; Y186-E191 WeakPolarHBondContact CE1-OE1 3.08Å; Y186-E191 PolarHBondContact OH-OE1 3.05Å; Y186-E191 PolarHBondContact OH-OE2 2.77Å; Y186-L348 HydrophobicContact CD1-CD2 4.41Å; Y186-L348 HydrophobicContact CD2-CD2 3.93Å; Y186-L348 HydrophobicContact CE1-CD2 3.81Å; Y186-L348 HydrophobicContact CE2-CD2 3.24Å; Y186-L348 HydrophobicContact CE2-CG 4.48Å; Y186-L348 HydrophobicContact CG-CD2 4.46Å; Y186-L348 WeakPolarHBondContact OH-CD1 3.46Å; Y186-L348 WeakPolarHBondContact OH-CD2 3.05Å; Y186-R351 VanDerWaalsContact CZ-NH2 3.3Å; Y186-R351 PolarHBondContact OH-NH2 2.9Å
187	D	69	Low	67.3	Low	74 Å²	74	60.7 Å²	60.7	40%	0.396	34%	0.344	S	S	.	.			trans	-101.6	109.4	178.6	-178.5	3.9	0	0	0	110.3	V185 K189 A190	V185-D187 PolarHBondContact O-N 2.92Å; V185-D187 VanDerWaalsContact O-N 3.14Å; D187-K189 PolarHBondContact O-N 3.39Å; D187-K189 WeakPolarHBondContact OD1-CB 3.49Å; D187-K189 PolarHBondContact OD1-N 3.04Å; D187-A190 HydrophobicContact CB-CB 3.98Å; D187-A190 WeakPolarHBondContact O-CB 3.48Å; D187-A190 PolarHBondContact O-N 3.47Å
188	I	71	Confident	68	Low	7 Å²	7	56.8 Å²	56.8	4%	0.036	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.9	-32.9	-179.9	-62.5	168.9	0	0	0	111.6	Y186 A190 E191 L357 T362	Y186-I188 HydrophobicContact CD1-CG1 4.12Å; Y186-I188 HydrophobicContact CE1-CG1 3.97Å; I188-A190 PolarHBondContact O-N 3.04Å; I188-E191 WeakPolarHBondContact CA-OE1 3.36Å; I188-E191 PolarHBondContact O-N 2.95Å; I188-L357 HydrophobicContact CD1-CD1 3.67Å; I188-L357 HydrophobicContact CD1-CG 3.95Å; I188-L357 HydrophobicContact CG2-CG 4.45Å; I188-T362 HydrophobicContact CG2-CG2 4.26Å; I188-T362 WeakPolarHBondContact O-CG2 3.29Å
189	K	76.5	Confident	68.5	Low	119 Å²	119	63.7 Å²	63.7	52%	0.517	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-71.9	-22.6	179.7	-62.9	173.9	-178.3	168.8	0	112	D187 I360	D187-K189 PolarHBondContact O-N 3.39Å; D187-K189 WeakPolarHBondContact OD1-CB 3.49Å; D187-K189 PolarHBondContact OD1-N 3.04Å; K189-I360 HydrophobicContact CG-CG2 3.96Å
190	A	79.6	Confident	68.7	Low	47 Å²	47	61 Å²	61	39%	0.388	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-80.8	-15.6	179.5	0	0	0	0	0	113	D187 I188 R363	D187-A190 HydrophobicContact CB-CB 3.98Å; D187-A190 WeakPolarHBondContact O-CB 3.48Å; D187-A190 PolarHBondContact O-N 3.47Å; I188-A190 PolarHBondContact O-N 3.04Å; A190-R363 PolarHBondContact O-NH2 2.94Å
191	E	84.6	Confident	68.6	Low	17 Å²	17	61 Å²	61	8%	0.079	32%	0.324	C	S	.	.			trans	-67.3	150.9	177.6	-76.5	158.5	-109.6	0	0	113.2	Y186 I188 R351 T353 G354 R363	Y186-E191 WeakPolarHBondContact CE1-OE1 3.08Å; Y186-E191 PolarHBondContact OH-OE1 3.05Å; Y186-E191 PolarHBondContact OH-OE2 2.77Å; I188-E191 WeakPolarHBondContact CA-OE1 3.36Å; I188-E191 PolarHBondContact O-N 2.95Å; E191-R351 IonicContact OE1-CZ 2.7Å; E191-R351 IonicContact OE1-NH2 2.93Å; E191-R351 PolarHBondContact OE1-NH2 2.87Å; E191-R351 IonicContact OE2-NH2 3.9Å; E191-R351 PolarHBondContact OE2-NH2 3.26Å; E191-T353 HydrophobicContact CB-CG2 4.45Å; E191-T353 HydrophobicContact CG-CG2 4.17Å; E191-G354 PolarHBondContact OE2-N 3.14Å; E191-R363 PolarHBondContact O-N 2.8Å
192	V	90.9	Very high	68.9	Low	46 Å²	46	57.3 Å²	57.3	28%	0.279	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.4	172.7	-175.7	0	0	0	0	107.6	R363 R365	V192-R363 CarbonylContact C-O 3.54Å; V192-R363 WeakPolarHBondContact CA-O 3.39Å; V192-R363 HydrophobicContact CG1-CB 4.5Å; V192-R363 HydrophobicContact CG2-CB 4.04Å; V192-R365 HydrophobicContact CG1-CB 4.27Å
193	A	93	Very high	69	Low	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.7	171.9	0	0	0	0	0	110.3	L195 R363 W364 R365 F376 F397	A193-L195 HydrophobicContact CB-CD2 4.3Å; A193-R363 PolarHBondContact N-O 2.98Å; A193-W364 HydrophobicContact CB-CB 4.01Å; A193-W364 CarbonylContact O-C 3.56Å; A193-W364 VanDerWaalsContact O-CA 3.24Å; A193-W364 WeakPolarHBondContact O-CA 3.28Å; A193-R365 PolarHBondContact O-N 3.36Å; A193-F376 HydrophobicContact CB-CE1 4.21Å; A193-F376 HydrophobicContact CB-CZ 3.7Å; A193-F397 HydrophobicContact CB-CD1 3.95Å; A193-F397 HydrophobicContact CB-CE1 3.63Å
194	H	92.5	Very high	69.1	Low	70 Å²	70	60.1 Å²	60.1	32%	0.324	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117	167.2	-68	-55.3	0	0	0	109.5	R365 L367 V398	H194-R365 WeakPolarHBondContact CA-O 2.99Å; H194-L367 HydrophobicContact CB-CD1 4.07Å; H194-L367 HydrophobicContact CB-CD2 4.03Å; H194-L367 HydrophobicContact CB-CG 4.08Å; H194-V398 PolarHBondContact O-N 3.02Å; H194-V398 VanDerWaalsContact O-N 3.1Å
195	L	88.5	Confident	69.1	Low	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.5	-176.3	-58.3	-179.8	0	0	0	109.8	A193 I335 V337 W364 R365 L367 F376 F395 F397	A193-L195 HydrophobicContact CB-CD2 4.3Å; L195-I335 HydrophobicContact CD1-CD1 4.08Å; L195-V337 HydrophobicContact CD2-CG1 3.73Å; L195-V337 HydrophobicContact CD2-CG2 4.18Å; L195-W364 HydrophobicContact CD1-CB 3.89Å; L195-W364 HydrophobicContact CD1-CD2 4.03Å; L195-W364 HydrophobicContact CD1-CE3 4.01Å; L195-W364 HydrophobicContact CD1-CG 3.99Å; L195-W364 HydrophobicContact CG-CB 4.2Å; L195-R365 PolarHBondContact N-O 2.82Å; L195-L367 PolarHBondContact O-N 3.14Å; L195-F376 HydrophobicContact CD1-CD2 4.39Å; L195-F376 HydrophobicContact CD1-CE2 3.84Å; L195-F376 HydrophobicContact CD2-CE2 4.06Å; L195-F376 HydrophobicContact CD2-CZ 4.42Å; L195-F376 HydrophobicContact CG-CE2 4.46Å; L195-F395 HydrophobicContact CB-CB 4.46Å; L195-F395 HydrophobicContact CB-CD1 4.03Å; L195-F395 HydrophobicContact CB-CG 4.46Å; L195-F397 HydrophobicContact CD2-CD1 4.05Å; L195-F397 HydrophobicContact CD2-CE1 3.91Å
196	L	84	Confident	69	Low	52 Å²	52	54.9 Å²	54.9	27%	0.272	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.4	170.7	-173.3	71.3	0	0	0	109.2	L367 F395 V396 V398	L196-L367 HydrophobicContact CB-CD1 4.38Å; L196-L367 HydrophobicContact CD1-CB 4.23Å; L196-L367 HydrophobicContact CD1-CD1 4.45Å; L196-F395 CarbonylContact O-C 3.51Å; L196-F395 VanDerWaalsContact O-CA 3.3Å; L196-F395 WeakPolarHBondContact O-CA 3.39Å; L196-V396 PolarHBondContact N-O 2.87Å; L196-V396 PolarHBondContact O-N 2.81Å; L196-V398 HydrophobicContact CB-CG2 3.58Å; L196-V398 HydrophobicContact CD2-CG2 4.05Å; L196-V398 HydrophobicContact CG-CG2 4.44Å
197	P	77.1	Confident	68.6	Low	33 Å²	33	61.3 Å²	61.3	21%	0.214	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.1	175	26	-33.5	0	0	0	110.7	H325 F395	P197-H325 HydrophobicContact CB-CB 4.43Å; P197-F395 HydrophobicContact CB-CD1 4.05Å; P197-F395 HydrophobicContact CB-CE1 3.89Å
198	V	70.8	Confident	67.7	Low	21 Å²	21	67.2 Å²	67.2	13%	0.127	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-83.8	133.1	177.6	-170.9	0	0	0	0	109.9	V202 L205 S394 V396	V198-V202 HydrophobicContact CB-CG2 4.32Å; V198-V202 HydrophobicContact CG1-CB 4.49Å; V198-V202 HydrophobicContact CG1-CG2 3.43Å; V198-V202 VanDerWaalsContact CG1-CG2 3.43Å; V198-L205 HydrophobicContact CG1-CD2 3.89Å; V198-S394 PolarHBondContact N-O 2.81Å; V198-V396 HydrophobicContact CG2-CB 4.36Å; V198-V396 HydrophobicContact CG2-CG2 3.48Å; V198-V396 VanDerWaalsContact CG2-CG2 3.48Å
199	R	60.2	Low	66.6	Low	190 Å²	190	73.8 Å²	73.8	72%	0.717	36%	0.361	S	S	*	.			trans	-104.4	133.3	175	-179.5	-176.4	-82.3	175.5	-6.4	110.1
200	G	53.9	Low	65.4	Low	59 Å²	59	70.5 Å²	70.5	61%	0.608	35%	0.349	S	S	*	.	S	Bend	trans	73.2	-171.8	170.4	0	0	0	0	0	113.9	V202	G200-V202 PolarHBondContact O-N 2.82Å
201	D	47.6	Very low	64.2	Low	123 Å²	123	70.6 Å²	70.6	66%	0.658	34%	0.342	S	S	*	.			trans	-60.2	113.3	179.6	-73.7	-18.6	0	0	0	109.5	L203 D204 L205	D201-L203 PolarHBondContact O-N 3.29Å; D201-D204 WeakPolarHBondContact O-CB 3.37Å; D201-D204 PolarHBondContact O-N 3.04Å; D201-L205 PolarHBondContact O-N 3.02Å
202	V	50.9	Low	62.8	Low	8 Å²	8	79.3 Å²	79.3	5%	0.048	37%	0.374	C	S	.	.	H	α-helix	trans	-61.8	-20	-179.2	178.4	0	0	0	0	111.2	V198 G200 L205 T206 C388	V198-V202 HydrophobicContact CB-CG2 4.32Å; V198-V202 HydrophobicContact CG1-CB 4.49Å; V198-V202 HydrophobicContact CG1-CG2 3.43Å; V198-V202 VanDerWaalsContact CG1-CG2 3.43Å; G200-V202 PolarHBondContact O-N 2.82Å; V202-L205 PolarHBondContact O-N 3.14Å; V202-T206 WeakPolarHBondContact O-CA 3.5Å; V202-T206 WeakPolarHBondContact O-CB 3.13Å; V202-T206 PolarHBondContact O-N 2.84Å; V202-T206 PolarHBondContact O-OG1 3Å; V202-C388 WeakPolarHBondContact CG1-O 3.44Å; V202-C388 VanDerWaalsContact CG2-O 3.24Å; V202-C388 WeakPolarHBondContact CG2-O 3.48Å
203	L	49.4	Very low	61	Low	112 Å²	112	84.6 Å²	84.6	59%	0.586	39%	0.393	S	S	*	.	H	α-helix	trans	-63.3	-39.9	170.1	-151.3	75.5	0	0	0	112.2	D201 R207	D201-L203 PolarHBondContact O-N 3.29Å; L203-R207 WeakPolarHBondContact O-CB 3.37Å; L203-R207 VanDerWaalsContact O-CG 3.23Å; L203-R207 WeakPolarHBondContact O-CG 3.14Å; L203-R207 PolarHBondContact O-N 3.44Å
204	D	50.2	Low	59.3	Low	77 Å²	77	87.2 Å²	87.2	41%	0.412	41%	0.407	S	S	.	.	H	α-helix	trans	-74.8	-34.5	177.6	-87.2	-4.5	0	0	0	112.4	D201 R207 R208	D201-D204 WeakPolarHBondContact O-CB 3.37Å; D201-D204 PolarHBondContact O-N 3.04Å; D204-R207 IonicContact OD1-NH1 2.73Å; D204-R207 PolarHBondContact OD1-NH1 3.2Å; D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 PolarHBondContact O-N 2.82Å
205	L	50.1	Low	58	Low	43 Å²	43	88.7 Å²	88.7	23%	0.225	42%	0.421	C	S	.	.	H	α-helix	trans	-67.5	-45.8	171.2	-159.8	73.6	0	0	0	110.4	V198 D201 V202 R207 R208 Y209	V198-L205 HydrophobicContact CG1-CD2 3.89Å; D201-L205 PolarHBondContact O-N 3.02Å; V202-L205 PolarHBondContact O-N 3.14Å; L205-R207 VanDerWaalsContact C-N 3.31Å; L205-R207 PolarHBondContact O-N 2.87Å; L205-R208 WeakPolarHBondContact O-CB 3.45Å; L205-R208 PolarHBondContact O-N 2.94Å; L205-R208 VanDerWaalsContact O-N 3.12Å; L205-Y209 HydrophobicContact CD1-CD2 4.2Å; L205-Y209 HydrophobicContact CD1-CE2 3.89Å; L205-Y209 HydrophobicContact CG-CD2 4.01Å; L205-Y209 HydrophobicContact CG-CE2 4.13Å; L205-Y209 WeakPolarHBondContact O-CD2 3.17Å; L205-Y209 PolarHBondContact O-N 2.97Å
206	T	49.7	Very low	56.9	Low	36 Å²	36	97.9 Å²	97.9	22%	0.221	46%	0.456	C	S	.	.	H	α-helix	trans	-62.4	-38.8	177.3	-53.2	0	0	0	0	110.5	V202 Y209 D210 Y340 T387	V202-T206 WeakPolarHBondContact O-CA 3.5Å; V202-T206 WeakPolarHBondContact O-CB 3.13Å; V202-T206 PolarHBondContact O-N 2.84Å; V202-T206 PolarHBondContact O-OG1 3Å; T206-Y209 CarbonylContact O-C 3.52Å; T206-Y209 VanDerWaalsContact O-C 3.31Å; T206-Y209 PolarHBondContact O-N 2.86Å; T206-D210 VanDerWaalsContact O-CA 3.22Å; T206-D210 WeakPolarHBondContact O-CA 3.5Å; T206-D210 WeakPolarHBondContact O-CB 3.3Å; T206-D210 PolarHBondContact O-N 3.26Å; T206-Y340 PolarHBondContact OG1-OH 3.04Å; T206-T387 HydrophobicContact CG2-CG2 4.27Å
207	R	52.1	Low	56	Low	154 Å²	154	97.9 Å²	97.9	58%	0.581	45%	0.452	S	S	*	.	H	α-helix	trans	-65.4	-41	171.8	-78.5	173.6	-174.8	168	-2.4	112.8	L203 D204 L205 Y209 D210	L203-R207 WeakPolarHBondContact O-CB 3.37Å; L203-R207 VanDerWaalsContact O-CG 3.23Å; L203-R207 WeakPolarHBondContact O-CG 3.14Å; L203-R207 PolarHBondContact O-N 3.44Å; D204-R207 IonicContact OD1-NH1 2.73Å; D204-R207 PolarHBondContact OD1-NH1 3.2Å; L205-R207 VanDerWaalsContact C-N 3.31Å; L205-R207 PolarHBondContact O-N 2.87Å; R207-Y209 PolarHBondContact O-N 3.09Å; R207-D210 PolarHBondContact O-N 3.14Å
208	R	50.1	Low	55.6	Low	198 Å²	198	103.4 Å²	103.4	75%	0.747	47%	0.473	S	S	*	.	H	α-helix	trans	-62.4	-34	176.6	-120.1	-177.8	-71.4	-160.6	-5.2	112.5	D204 L205	D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 PolarHBondContact O-N 2.82Å; L205-R208 WeakPolarHBondContact O-CB 3.45Å; L205-R208 PolarHBondContact O-N 2.94Å; L205-R208 VanDerWaalsContact O-N 3.12Å
209	Y	48	Very low	55.3	Low	144 Å²	144	108.3 Å²	108.3	57%	0.565	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	7.3	177	-72.4	-83.3	0	0	0	112.9	L205 T206 R207 M211	L205-Y209 HydrophobicContact CD1-CD2 4.2Å; L205-Y209 HydrophobicContact CD1-CE2 3.89Å; L205-Y209 HydrophobicContact CG-CD2 4.01Å; L205-Y209 HydrophobicContact CG-CE2 4.13Å; L205-Y209 WeakPolarHBondContact O-CD2 3.17Å; L205-Y209 PolarHBondContact O-N 2.97Å; T206-Y209 CarbonylContact O-C 3.52Å; T206-Y209 VanDerWaalsContact O-C 3.31Å; T206-Y209 PolarHBondContact O-N 2.86Å; R207-Y209 PolarHBondContact O-N 3.09Å; Y209-M211 VanDerWaalsContact C-N 3.35Å; Y209-M211 WeakPolarHBondContact O-CG 3.33Å; Y209-M211 PolarHBondContact O-N 3.04Å
210	D	50.9	Low	55.7	Low	51 Å²	51	104.4 Å²	104.4	27%	0.273	48%	0.484	S	S	.	.			trans	-72.5	100	177.2	-176.9	-7.3	0	0	0	105.5	T206 R207 R212 F213	T206-D210 VanDerWaalsContact O-CA 3.22Å; T206-D210 WeakPolarHBondContact O-CA 3.5Å; T206-D210 WeakPolarHBondContact O-CB 3.3Å; T206-D210 PolarHBondContact O-N 3.26Å; R207-D210 PolarHBondContact O-N 3.14Å; D210-R212 PolarHBondContact O-N 3.12Å; D210-R212 WeakPolarHBondContact OD1-CB 3.33Å; D210-R212 WeakPolarHBondContact OD1-CG 3.34Å; D210-R212 PolarHBondContact OD1-N 3.23Å; D210-F213 HydrophobicContact CB-CD2 4.45Å; D210-F213 PolarHBondContact O-N 3.04Å
211	M	52.9	Low	56.3	Low	48 Å²	48	104.6 Å²	104.6	24%	0.236	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-62.2	-15.3	-171.1	-59.9	-124.3	-68.1	0	0	111.8	Y209 F213 D214 R217 E234 T342	Y209-M211 VanDerWaalsContact C-N 3.35Å; Y209-M211 WeakPolarHBondContact O-CG 3.33Å; Y209-M211 PolarHBondContact O-N 3.04Å; M211-F213 PolarHBondContact O-N 3.03Å; M211-F213 VanDerWaalsContact O-N 3.14Å; M211-D214 PolarHBondContact O-N 3.31Å; M211-R217 WeakPolarHBondContact O-CB 3.25Å; M211-R217 WeakPolarHBondContact O-CD 3.47Å; M211-E234 WeakPolarHBondContact CE-OE1 2.95Å; M211-E234 WeakPolarHBondContact CE-OE2 3.05Å; M211-T342 HydrophobicContact SD-CG2 4.43Å
212	R	56	Low	57.6	Low	201 Å²	201	100.3 Å²	100.3	76%	0.758	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-54.2	-29.9	171.6	-71.4	178.7	174.1	165.7	0.8	112.9	D210	D210-R212 PolarHBondContact O-N 3.12Å; D210-R212 WeakPolarHBondContact OD1-CB 3.33Å; D210-R212 WeakPolarHBondContact OD1-CG 3.34Å; D210-R212 PolarHBondContact OD1-N 3.23Å
213	F	52.3	Low	58.7	Low	157 Å²	157	107.7 Å²	107.7	69%	0.689	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-106.6	-4.4	-179.5	-58.6	-79.7	0	0	0	114.4	D210 M211 V215	D210-F213 HydrophobicContact CB-CD2 4.45Å; D210-F213 PolarHBondContact O-N 3.04Å; M211-F213 PolarHBondContact O-N 3.03Å; M211-F213 VanDerWaalsContact O-N 3.14Å; F213-V215 PolarHBondContact O-N 2.88Å
214	D	58.4	Low	59.5	Low	54 Å²	54	103.1 Å²	103.1	29%	0.289	46%	0.458	S	S	.	.			trans	-65.1	123.1	178.7	-169.7	-20.7	0	0	0	110.1	M211 R216 R217 K218	M211-D214 PolarHBondContact O-N 3.31Å; D214-R216 PolarHBondContact O-N 2.85Å; D214-R216 VanDerWaalsContact OD1-CB 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.17Å; D214-R216 WeakPolarHBondContact OD1-CG 3.33Å; D214-R216 PolarHBondContact OD1-N 2.97Å; D214-R217 HydrophobicContact CB-CB 4.37Å; D214-R217 WeakPolarHBondContact O-CA 3.46Å; D214-R217 VanDerWaalsContact O-CB 3.29Å; D214-R217 WeakPolarHBondContact O-CB 3.35Å; D214-R217 PolarHBondContact O-N 2.94Å; D214-K218 PolarHBondContact O-N 3.13Å
215	V	65.4	Low	60.5	Low	101 Å²	101	105.7 Å²	105.7	61%	0.612	47%	0.471	S	S	*	.	H	α-helix	trans	-56.3	-34.4	176.1	178.3	0	0	0	0	111.1	F213 R217 K218 L219	F213-V215 PolarHBondContact O-N 2.88Å; V215-R217 VanDerWaalsContact C-N 3.26Å; V215-R217 PolarHBondContact O-N 2.04Å; V215-K218 WeakPolarHBondContact O-CB 3.46Å; V215-K218 PolarHBondContact O-N 3.3Å; V215-L219 PolarHBondContact O-N 2.82Å; V215-L219 VanDerWaalsContact O-N 3.13Å
216	R	65.8	Low	61.7	Low	194 Å²	194	112.8 Å²	112.8	73%	0.732	50%	0.5	S	S	*	.	H	α-helix	trans	-61.6	-35.6	175.5	-61.5	174.9	-171.4	154.4	2.1	111.8	D214 L219 Y220	D214-R216 PolarHBondContact O-N 2.85Å; D214-R216 VanDerWaalsContact OD1-CB 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.17Å; D214-R216 WeakPolarHBondContact OD1-CG 3.33Å; D214-R216 PolarHBondContact OD1-N 2.97Å; R216-L219 PolarHBondContact O-N 2.71Å; R216-Y220 WeakPolarHBondContact O-CB 3.16Å; R216-Y220 PolarHBondContact O-N 2.95Å
217	R	63.3	Low	63.1	Low	52 Å²	52	116.3 Å²	116.3	20%	0.196	52%	0.515	C	S	.	.	H	α-helix	trans	-65.4	-43.1	176.2	-165.2	-175.6	-176.5	102.1	6.4	111	M211 D214 V215 L219 Y220 L221 E231 E234	M211-R217 WeakPolarHBondContact O-CB 3.25Å; M211-R217 WeakPolarHBondContact O-CD 3.47Å; D214-R217 HydrophobicContact CB-CB 4.37Å; D214-R217 WeakPolarHBondContact O-CA 3.46Å; D214-R217 VanDerWaalsContact O-CB 3.29Å; D214-R217 WeakPolarHBondContact O-CB 3.35Å; D214-R217 PolarHBondContact O-N 2.94Å; V215-R217 VanDerWaalsContact C-N 3.26Å; V215-R217 PolarHBondContact O-N 2.04Å; R217-L219 VanDerWaalsContact C-N 3.28Å; R217-L219 PolarHBondContact O-N 3.45Å; R217-Y220 WeakPolarHBondContact O-CB 3.44Å; R217-Y220 PolarHBondContact O-N 3.29Å; R217-Y220 VanDerWaalsContact O-N 3.12Å; R217-L221 HydrophobicContact CG-CD1 3.84Å; R217-L221 HydrophobicContact CG-CG 4.48Å; R217-L221 WeakPolarHBondContact O-CB 3.34Å; R217-L221 WeakPolarHBondContact O-CD1 3.49Å; R217-L221 PolarHBondContact O-N 2.98Å; R217-E231 IonicContact CZ-OE1 3.53Å; R217-E231 IonicContact CZ-OE2 3.58Å; R217-E231 IonicContact NE-OE1 3.78Å; R217-E231 IonicContact NE-OE2 3.64Å; R217-E231 IonicContact NH2-OE1 3.22Å; R217-E231 PolarHBondContact NH2-OE1 2.8Å; R217-E231 IonicContact NH2-OE2 2.83Å; R217-E231 PolarHBondContact NH2-OE2 3.15Å; R217-E234 IonicContact CZ-OE2 2.82Å; R217-E234 IonicContact NH1-OE2 3.45Å; R217-E234 PolarHBondContact NH1-OE2 3.03Å
218	K	69.1	Low	64.6	Low	148 Å²	148	116.5 Å²	116.5	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-58	-41.3	173.9	-68.2	-176.8	178.5	178.2	0	111.9	D214 V215 G222	D214-K218 PolarHBondContact O-N 3.13Å; V215-K218 WeakPolarHBondContact O-CB 3.46Å; V215-K218 PolarHBondContact O-N 3.3Å; K218-G222 PolarHBondContact O-N 3.4Å
219	L	65.7	Low	65.4	Low	124 Å²	124	113.4 Å²	113.4	65%	0.649	52%	0.52	S	S	*	.	H	α-helix	trans	-67.3	-37.2	175.9	-65.2	174	0	0	0	112.5	V215 R216 R217 R223	V215-L219 PolarHBondContact O-N 2.82Å; V215-L219 VanDerWaalsContact O-N 3.13Å; R216-L219 PolarHBondContact O-N 2.71Å; R217-L219 VanDerWaalsContact C-N 3.28Å; R217-L219 PolarHBondContact O-N 3.45Å; L219-R223 PolarHBondContact O-N 2.62Å; L219-R223 VanDerWaalsContact O-N 3.13Å
220	Y	67.3	Low	66.4	Low	109 Å²	109	112.8 Å²	112.8	43%	0.427	53%	0.531	S	S	.	.	H	α-helix	trans	-68.1	-49.6	176.6	175.9	-106.6	0	0	0	112.3	R216 R217 G222 R223 L224 E231	R216-Y220 WeakPolarHBondContact O-CB 3.16Å; R216-Y220 PolarHBondContact O-N 2.95Å; R217-Y220 WeakPolarHBondContact O-CB 3.44Å; R217-Y220 PolarHBondContact O-N 3.29Å; R217-Y220 VanDerWaalsContact O-N 3.12Å; Y220-G222 VanDerWaalsContact C-N 3.29Å; Y220-G222 PolarHBondContact O-N 3.34Å; Y220-R223 WeakPolarHBondContact O-CA 3.3Å; Y220-R223 WeakPolarHBondContact O-CB 3.29Å; Y220-R223 PolarHBondContact O-N 2.99Å; Y220-L224 HydrophobicContact CD1-CD1 3.85Å; Y220-L224 HydrophobicContact CD1-CG 4.47Å; Y220-L224 HydrophobicContact CE1-CD1 3.27Å; Y220-L224 HydrophobicContact CE1-CG 4.03Å; Y220-L224 HydrophobicContact CE2-CD1 4.41Å; Y220-L224 HydrophobicContact CE2-CG 4.33Å; Y220-L224 PolarHBondContact O-N 3.17Å; Y220-E231 VanDerWaalsContact CD1-OE1 3.28Å; Y220-E231 WeakPolarHBondContact CD1-OE1 3.24Å; Y220-E231 HydrophobicContact CE1-CG 3.94Å; Y220-E231 WeakPolarHBondContact CE1-OE1 3.07Å
221	L	67	Low	67	Low	63 Å²	63	112.4 Å²	112.4	33%	0.33	53%	0.527	S	S	.	.	H	α-helix	trans	-54.4	-45.6	172.3	-80.9	154.3	0	0	0	111.1	R217 R223 L224 I225 E231	R217-L221 HydrophobicContact CG-CD1 3.84Å; R217-L221 HydrophobicContact CG-CG 4.48Å; R217-L221 WeakPolarHBondContact O-CB 3.34Å; R217-L221 WeakPolarHBondContact O-CD1 3.49Å; R217-L221 PolarHBondContact O-N 2.98Å; L221-R223 VanDerWaalsContact C-N 3.26Å; L221-R223 PolarHBondContact O-N 2.75Å; L221-L224 PolarHBondContact O-N 2.71Å; L221-I225 WeakPolarHBondContact O-CG1 3.09Å; L221-I225 PolarHBondContact O-N 3.31Å; L221-E231 WeakPolarHBondContact CD2-OE2 3.43Å
222	G	74.4	Confident	67.6	Low	33 Å²	33	117.4 Å²	117.4	34%	0.34	55%	0.55	S	S	.	*	H	α-helix	trans	-59.4	-34.1	175.2	0	0	0	0	0	113.6	K218 Y220 K226	K218-G222 PolarHBondContact O-N 3.4Å; Y220-G222 VanDerWaalsContact C-N 3.29Å; Y220-G222 PolarHBondContact O-N 3.34Å; G222-K226 WeakPolarHBondContact O-CG 3.31Å; G222-K226 PolarHBondContact O-N 3.16Å
223	R	74.3	Confident	68.1	Low	162 Å²	162	113.3 Å²	113.3	61%	0.611	55%	0.549	S	S	*	.	H	α-helix	trans	-72.9	-41.2	174.7	-174.4	-176.8	-63.1	179.5	0.3	112.1	L219 Y220 L221 K226 M227	L219-R223 PolarHBondContact O-N 2.62Å; L219-R223 VanDerWaalsContact O-N 3.13Å; Y220-R223 WeakPolarHBondContact O-CA 3.3Å; Y220-R223 WeakPolarHBondContact O-CB 3.29Å; Y220-R223 PolarHBondContact O-N 2.99Å; L221-R223 VanDerWaalsContact C-N 3.26Å; L221-R223 PolarHBondContact O-N 2.75Å; R223-K226 WeakPolarHBondContact O-CB 3.43Å; R223-K226 PolarHBondContact O-N 3.34Å; R223-M227 HydrophobicContact CG-CE 3.88Å; R223-M227 HydrophobicContact CG-SD 4.37Å; R223-M227 WeakPolarHBondContact O-CG 3.35Å; R223-M227 PolarHBondContact O-N 3Å; R223-M227 VanDerWaalsContact O-N 3.08Å
224	L	66.1	Low	68.9	Low	16 Å²	16	109.8 Å²	109.8	8%	0.084	54%	0.535	C	S	.	.	H	α-helix	trans	-61.6	-44.1	177.7	-77.9	175.3	0	0	0	111.9	Y220 L221 K226 M227 N228 K229 E231	Y220-L224 HydrophobicContact CD1-CD1 3.85Å; Y220-L224 HydrophobicContact CD1-CG 4.47Å; Y220-L224 HydrophobicContact CE1-CD1 3.27Å; Y220-L224 HydrophobicContact CE1-CG 4.03Å; Y220-L224 HydrophobicContact CE2-CD1 4.41Å; Y220-L224 HydrophobicContact CE2-CG 4.33Å; Y220-L224 PolarHBondContact O-N 3.17Å; L221-L224 PolarHBondContact O-N 2.71Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 2.62Å; L224-M227 CarbonylContact O-C 3.44Å; L224-M227 WeakPolarHBondContact O-CA 3.39Å; L224-M227 PolarHBondContact O-N 2.85Å; L224-N228 PolarHBondContact O-N 3.1Å; L224-K229 CarbonylContact C-O 3.54Å; L224-K229 HydrophobicContact CD2-CB 3.74Å; L224-K229 PolarHBondContact O-N 3.06Å; L224-E231 HydrophobicContact CD1-CB 3.48Å; L224-E231 VanDerWaalsContact CD1-CB 3.48Å; L224-E231 HydrophobicContact CD1-CG 3.94Å
225	I	70.6	Confident	69.9	Low	131 Å²	131	108.9 Å²	108.9	67%	0.672	53%	0.533	S	S	*	.	H	α-helix	trans	-57.4	-45.3	174	-65.5	164.5	0	0	0	110.6	L221 M227 N228	L221-I225 WeakPolarHBondContact O-CG1 3.09Å; L221-I225 PolarHBondContact O-N 3.31Å; I225-M227 PolarHBondContact O-N 3.05Å; I225-N228 PolarHBondContact O-N 3.01Å
226	K	76.9	Confident	70.6	Confident	192 Å²	192	108.3 Å²	108.3	84%	0.835	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-27.7	176.2	-74.5	-175.6	-179.9	-171.3	0	113.6	G222 R223 L224 N228	G222-K226 WeakPolarHBondContact O-CG 3.31Å; G222-K226 PolarHBondContact O-N 3.16Å; R223-K226 WeakPolarHBondContact O-CB 3.43Å; R223-K226 PolarHBondContact O-N 3.34Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 2.62Å; K226-N228 VanDerWaalsContact C-N 3.35Å
227	M	79.4	Confident	71.5	Confident	110 Å²	110	100.5 Å²	100.5	54%	0.542	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.8	176.7	-67.3	-177.6	178.4	0	0	113	R223 L224 I225 K229	R223-M227 HydrophobicContact CG-CE 3.88Å; R223-M227 HydrophobicContact CG-SD 4.37Å; R223-M227 WeakPolarHBondContact O-CG 3.35Å; R223-M227 PolarHBondContact O-N 3Å; R223-M227 VanDerWaalsContact O-N 3.08Å; L224-M227 CarbonylContact O-C 3.44Å; L224-M227 WeakPolarHBondContact O-CA 3.39Å; L224-M227 PolarHBondContact O-N 2.85Å; I225-M227 PolarHBondContact O-N 3.05Å; M227-K229 HydrophobicContact CB-CB 4.34Å; M227-K229 HydrophobicContact CB-CD 4.22Å; M227-K229 HydrophobicContact CB-CG 4.03Å; M227-K229 PolarHBondContact O-N 3.2Å
228	N	83.4	Confident	72.7	Confident	158 Å²	158	99 Å²	99	85%	0.845	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	37	-168.9	-161.4	26.8	0	0	0	112.8	L224 I225 K226	L224-N228 PolarHBondContact O-N 3.1Å; I225-N228 PolarHBondContact O-N 3.01Å; K226-N228 VanDerWaalsContact C-N 3.35Å
229	K	66.5	Low	73.6	Confident	134 Å²	134	92.8 Å²	92.8	58%	0.583	47%	0.47	S	S	*	.			trans	-105.3	143.1	176.1	-71.9	-174.8	177.9	-175.2	0	109.2	L224 M227	L224-K229 CarbonylContact C-O 3.54Å; L224-K229 HydrophobicContact CD2-CB 3.74Å; L224-K229 PolarHBondContact O-N 3.06Å; M227-K229 HydrophobicContact CB-CB 4.34Å; M227-K229 HydrophobicContact CB-CD 4.22Å; M227-K229 HydrophobicContact CB-CG 4.03Å; M227-K229 PolarHBondContact O-N 3.2Å
230	T	69.1	Low	74.8	Confident	130 Å²	130	87 Å²	87	80%	0.798	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-84.4	143.8	169.3	48.5	0	0	0	0	109.8	Q232	T230-Q232 PolarHBondContact O-N 3.08Å
231	E	63.9	Low	75.9	Confident	43 Å²	43	83.9 Å²	83.9	20%	0.201	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-67.6	123.5	170.3	-172.8	165.7	-139.1	0	0	107.7	R217 Y220 L221 L224 P233	R217-E231 IonicContact CZ-OE1 3.53Å; R217-E231 IonicContact CZ-OE2 3.58Å; R217-E231 IonicContact NE-OE1 3.78Å; R217-E231 IonicContact NE-OE2 3.64Å; R217-E231 IonicContact NH2-OE1 3.22Å; R217-E231 PolarHBondContact NH2-OE1 2.8Å; R217-E231 IonicContact NH2-OE2 2.83Å; R217-E231 PolarHBondContact NH2-OE2 3.15Å; Y220-E231 VanDerWaalsContact CD1-OE1 3.28Å; Y220-E231 WeakPolarHBondContact CD1-OE1 3.24Å; Y220-E231 HydrophobicContact CE1-CG 3.94Å; Y220-E231 WeakPolarHBondContact CE1-OE1 3.07Å; L221-E231 WeakPolarHBondContact CD2-OE2 3.43Å; L224-E231 HydrophobicContact CD1-CB 3.48Å; L224-E231 VanDerWaalsContact CD1-CB 3.48Å; L224-E231 HydrophobicContact CD1-CG 3.94Å; E231-P233 WeakPolarHBondContact O-CD 2.92Å
232	Q	65.5	Low	77.1	Confident	153 Å²	153	80.9 Å²	80.9	72%	0.715	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-67.6	121.4	161.9	-83.7	-173	-27.3	0	0	106.7	T230 E234	T230-Q232 PolarHBondContact O-N 3.08Å; Q232-E234 PolarHBondContact O-N 3.33Å; Q232-E234 VanDerWaalsContact O-N 3.17Å
233	P	66.3	Low	78	Confident	115 Å²	115	81.4 Å²	81.4	75%	0.747	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-60	125	179	24.5	-31.7	0	0	0	108.3	E231	E231-P233 WeakPolarHBondContact O-CD 2.92Å
234	E	69.2	Low	78.9	Confident	83 Å²	83	73.7 Å²	73.7	39%	0.388	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-57.7	146	172.3	-69.1	167.6	148.3	0	0	109.3	M211 R217 Q232 P341	M211-E234 WeakPolarHBondContact CE-OE1 2.95Å; M211-E234 WeakPolarHBondContact CE-OE2 3.05Å; R217-E234 IonicContact CZ-OE2 2.82Å; R217-E234 IonicContact NH1-OE2 3.45Å; R217-E234 PolarHBondContact NH1-OE2 3.03Å; Q232-E234 PolarHBondContact O-N 3.33Å; Q232-E234 VanDerWaalsContact O-N 3.17Å; E234-P341 HydrophobicContact CB-CB 4.45Å
235	P	78.4	Confident	80.1	Confident	36 Å²	36	74.8 Å²	74.8	23%	0.234	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-59.8	149.7	176.9	28.7	-37.3	0	0	0	110.2	P341 M344 Y350	P235-P341 HydrophobicContact CG-CB 4.14Å; P235-P341 WeakPolarHBondContact O-CG 3.1Å; P235-M344 HydrophobicContact CB-SD 3.98Å; P235-M344 HydrophobicContact CG-SD 3.57Å; P235-M344 VanDerWaalsContact CG-SD 3.57Å; P235-Y350 HydrophobicContact CB-CD1 4.29Å; P235-Y350 HydrophobicContact CB-CG 4.33Å; P235-Y350 HydrophobicContact CG-CD1 3.65Å; P235-Y350 HydrophobicContact CG-CE1 4.2Å; P235-Y350 HydrophobicContact CG-CG 4.15Å
236	D	80.6	Confident	81.3	Confident	89 Å²	89	74.1 Å²	74.1	48%	0.476	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-66.9	145.9	172.1	-72.4	-41.9	0	0	0	111	M344 S385	D236-M344 WeakPolarHBondContact O-CE 2.93Å; D236-S385 PolarHBondContact OD2-OG 3.23Å
237	P	85.1	Confident	81.9	Confident	29 Å²	29	65.3 Å²	65.3	19%	0.188	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-57.9	148.7	169.6	26.5	-34	0	0	0	110.3	C339 Y340 S385 C386	P237-C339 WeakPolarHBondContact CA-O 3.24Å; P237-Y340 HydrophobicContact CB-CD1 3.99Å; P237-Y340 HydrophobicContact CB-CE1 4.39Å; P237-S385 WeakPolarHBondContact O-CA 3.49Å; P237-S385 PolarHBondContact O-N 3.27Å; P237-C386 PolarHBondContact O-N 3.34Å
238	Y	87.5	Confident	82.4	Confident	21 Å²	21	61.3 Å²	61.3	8%	0.082	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.9	173.2	72.6	-99.4	0	0	0	111.3	T338 C339 M344 C352 S355 P382 Q383	Y238-T338 CarbonylContact O-C 3.31Å; Y238-T338 WeakPolarHBondContact O-CA 3.43Å; Y238-C339 HydrophobicContact CD1-CB 3.89Å; Y238-C339 HydrophobicContact CD2-CB 4.1Å; Y238-C339 HydrophobicContact CE1-CB 3.41Å; Y238-C339 VanDerWaalsContact CE1-CB 3.41Å; Y238-C339 WeakPolarHBondContact CE1-SG 3.21Å; Y238-C339 HydrophobicContact CE2-CB 3.66Å; Y238-C339 HydrophobicContact CG-CB 4.2Å; Y238-C339 VanDerWaalsContact CZ-SG 3.58Å; Y238-C339 PolarHBondContact N-O 2.84Å; Y238-C339 VanDerWaalsContact N-O 3.11Å; Y238-C339 PolarHBondContact O-N 3.26Å; Y238-M344 HydrophobicContact CD1-CE 3.41Å; Y238-M344 VanDerWaalsContact CD1-CE 3.41Å; Y238-M344 HydrophobicContact CD1-SD 4.45Å; Y238-M344 HydrophobicContact CE1-CE 3.75Å; Y238-M344 HydrophobicContact CE1-SD 4.45Å; Y238-M344 HydrophobicContact CG-CE 4.46Å; Y238-C352 PolarHBondContact OH-N 2.03Å; Y238-S355 WeakPolarHBondContact OH-CB 3.33Å; Y238-S355 PolarHBondContact OH-OG 2.83Å; Y238-P382 HydrophobicContact CD2-CB 3.82Å; Y238-P382 HydrophobicContact CE2-CB 4.33Å; Y238-P382 HydrophobicContact CG-CB 4.39Å; Y238-Q383 WeakPolarHBondContact CA-O 3.28Å; Y238-Q383 WeakPolarHBondContact CB-O 3.42Å
239	C	87.5	Confident	82.4	Confident	18 Å²	18	59.9 Å²	59.9	12%	0.122	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.9	175	71.8	0	0	0	0	109.9	V337 Q383 C386	C239-V337 WeakPolarHBondContact CA-O 3.37Å; C239-Q383 PolarHBondContact N-O 3.47Å; C239-Q383 VanDerWaalsContact N-O 3.13Å; C239-Q383 PolarHBondContact O-N 3.07Å; C239-C386 VanDerWaalsContact CA-SG 3.51Å; C239-C386 HydrophobicContact CB-CB 4.26Å; C239-C386 WeakPolarHBondContact CB-SG 3.37Å; C239-C386 PolarHBondContact N-SG 3.25Å; C239-C386 WeakPolarHBondContact SG-CB 3.37Å; C239-C386 CovalentContact SG-SG 2.03Å; C239-C386 PolarHBondContact SG-SG 2.87Å
240	A	91.3	Very high	83.2	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.008	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151	176.1	0	0	0	0	0	110.3	Y242 V337 M378 P382	A240-Y242 HydrophobicContact CB-CD2 4.45Å; A240-Y242 HydrophobicContact CB-CE2 3.7Å; A240-Y242 WeakPolarHBondContact O-CD2 3.48Å; A240-Y242 WeakPolarHBondContact O-CE2 3.03Å; A240-V337 PolarHBondContact N-O 2.6Å; A240-V337 PolarHBondContact O-N 3.15Å; A240-M378 HydrophobicContact CB-CE 4.29Å; A240-M378 HydrophobicContact CB-CG 4.14Å; A240-M378 HydrophobicContact CB-SD 4.34Å; A240-P382 HydrophobicContact CB-CB 4.39Å; A240-P382 HydrophobicContact CB-CG 4.28Å
241	V	91.1	Very high	83.7	Confident	44 Å²	44	48.4 Å²	48.4	27%	0.267	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.7	174.9	-174.8	0	0	0	0	108.6	Q334 I335 V379 S380	V241-Q334 HydrophobicContact CG1-CB 4.1Å; V241-I335 CarbonylContact C-O 3.59Å; V241-I335 WeakPolarHBondContact CA-O 3.46Å; V241-V379 HydrophobicContact CB-CG2 4.1Å; V241-V379 HydrophobicContact CG1-CG2 3.8Å; V241-V379 WeakPolarHBondContact O-CG2 3.32Å; V241-V379 PolarHBondContact O-N 3.25Å; V241-S380 PolarHBondContact N-OG 2.92Å; V241-S380 PolarHBondContact O-N 3.13Å
242	Y	92.9	Very high	83.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.7	178.5	-65.7	-102.4	0	0	0	109.4	A240 Q334 I335 V337 S355 F376 R377 M378 F397	A240-Y242 HydrophobicContact CB-CD2 4.45Å; A240-Y242 HydrophobicContact CB-CE2 3.7Å; A240-Y242 WeakPolarHBondContact O-CD2 3.48Å; A240-Y242 WeakPolarHBondContact O-CE2 3.03Å; Y242-Q334 CarbonylContact O-C 3.46Å; Y242-Q334 VanDerWaalsContact O-CA 3.25Å; Y242-Q334 WeakPolarHBondContact O-CA 3.35Å; Y242-I335 PolarHBondContact N-O 3.1Å; Y242-I335 PolarHBondContact O-N 3.48Å; Y242-V337 HydrophobicContact CD2-CB 4Å; Y242-V337 HydrophobicContact CD2-CG2 3.61Å; Y242-V337 HydrophobicContact CE2-CB 3.87Å; Y242-V337 HydrophobicContact CE2-CG2 3.98Å; Y242-V337 HydrophobicContact CG-CG2 4.37Å; Y242-S355 VanDerWaalsContact CE1-O 3.3Å; Y242-S355 WeakPolarHBondContact CE1-O 3.3Å; Y242-S355 PolarHBondContact OH-O 3.45Å; Y242-S355 VanDerWaalsContact OH-O 3.04Å; Y242-F376 HydrophobicContact CD1-CD1 4.1Å; Y242-F376 AromaticContact CD1-CD2 3.77Å; Y242-F376 HydrophobicContact CD1-CD2 3.77Å; Y242-F376 HydrophobicContact CD1-CE1 4.15Å; Y242-F376 AromaticContact CD1-CE2 3.81Å; Y242-F376 HydrophobicContact CD1-CE2 3.81Å; Y242-F376 AromaticContact CD1-CG 3.91Å; Y242-F376 HydrophobicContact CD1-CG 3.91Å; Y242-F376 AromaticContact CD1-CZ 3.99Å; Y242-F376 HydrophobicContact CD1-CZ 3.99Å; Y242-F376 HydrophobicContact CE1-CE1 4.27Å; Y242-F376 HydrophobicContact CE1-CE2 4.28Å; Y242-F376 HydrophobicContact CE1-CZ 4.08Å; Y242-F376 AromaticContact CG-CD2 3.91Å; Y242-F376 HydrophobicContact CG-CD2 3.91Å; Y242-F376 HydrophobicContact CG-CE2 4.01Å; Y242-F376 HydrophobicContact CG-CG 4.4Å; Y242-R377 CarbonylContact C-O 3.57Å; Y242-R377 VanDerWaalsContact CA-O 3.25Å; Y242-R377 WeakPolarHBondContact CA-O 3.4Å; Y242-M378 HydrophobicContact CD1-CB 3.93Å; Y242-M378 HydrophobicContact CE1-CB 3.63Å; Y242-M378 HydrophobicContact CE1-CE 4.16Å; Y242-M378 HydrophobicContact CE1-CG 4.25Å; Y242-M378 WeakPolarHBondContact OH-CE 3.29Å; Y242-F397 HydrophobicContact CE1-CZ 4.33Å; Y242-F397 HydrophobicContact CE2-CE2 4.1Å; Y242-F397 AromaticContact CE2-CZ 3.89Å; Y242-F397 HydrophobicContact CE2-CZ 3.89Å; Y242-F397 AromaticContact CZ-CZ 3.61Å; Y242-F397 VanDerWaalsContact OH-CZ 3.3Å; Y242-F397 WeakPolarHBondContact OH-CZ 3.3Å
243	E	92.8	Very high	83.6	Confident	45 Å²	45	47.9 Å²	47.9	21%	0.21	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.2	168.7	-178.2	-177.2	-161.2	0	0	108.5	T245 Q333 F376 R377 V379	E243-T245 PolarHBondContact O-N 2.81Å; E243-Q333 WeakPolarHBondContact CA-O 3.31Å; E243-F376 CarbonylContact O-C 3.51Å; E243-F376 VanDerWaalsContact O-CA 3.23Å; E243-F376 WeakPolarHBondContact O-CA 3.43Å; E243-F376 VanDerWaalsContact O-CB 3.31Å; E243-F376 WeakPolarHBondContact O-CB 3.32Å; E243-R377 HydrophobicContact CB-CG 4.34Å; E243-R377 PolarHBondContact N-O 2.75Å; E243-R377 PolarHBondContact O-N 2.91Å; E243-R377 IonicContact OE1-NH2 2.62Å; E243-R377 IonicContact OE2-CZ 3.88Å; E243-R377 VanDerWaalsContact OE2-CZ 3.24Å; E243-R377 IonicContact OE2-NE 3.72Å; E243-R377 PolarHBondContact OE2-NE 2.76Å; E243-R377 IonicContact OE2-NH2 3.61Å; E243-R377 PolarHBondContact OE2-NH2 3.22Å; E243-V379 HydrophobicContact CB-CG1 3.6Å; E243-V379 HydrophobicContact CB-CG2 4.47Å
244	I	91.9	Very high	83	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.5	174.1	-57.7	-56.7	0	0	0	108	T247 L329 T330 P331 G332 Q333 I335 W364 F376	I244-T247 HydrophobicContact CG2-CG2 3.42Å; I244-T247 VanDerWaalsContact CG2-CG2 3.42Å; I244-L329 HydrophobicContact CD1-CD2 4.27Å; I244-L329 HydrophobicContact CG1-CD2 4.29Å; I244-T330 WeakPolarHBondContact CB-O 3.01Å; I244-T330 WeakPolarHBondContact CG2-O 3.47Å; I244-P331 CarbonylContact O-C 3.55Å; I244-P331 WeakPolarHBondContact O-CA 3.05Å; I244-G332 PolarHBondContact O-N 3.1Å; I244-Q333 HydrophobicContact CG1-CB 4.47Å; I244-Q333 PolarHBondContact N-O 3.13Å; I244-I335 HydrophobicContact CD1-CD1 3.83Å; I244-I335 HydrophobicContact CD1-CG1 4.18Å; I244-I335 HydrophobicContact CD1-CG2 4.46Å; I244-I335 HydrophobicContact CG1-CG2 4.24Å; I244-W364 HydrophobicContact CD1-CZ2 4.05Å; I244-W364 HydrophobicContact CG2-CZ2 4.08Å; I244-F376 HydrophobicContact CD1-CB 4.01Å; I244-F376 HydrophobicContact CD1-CD2 4.26Å
245	T	93.2	Very high	81.9	Confident	39 Å²	39	48.5 Å²	48.5	24%	0.239	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-27.9	-178.3	63.4	0	0	0	0	112.3	E243 E361 R375 R377	E243-T245 PolarHBondContact O-N 2.81Å; T245-E361 WeakPolarHBondContact CB-OE1 2.92Å; T245-E361 HydrophobicContact CG2-CG 4.42Å; T245-E361 WeakPolarHBondContact CG2-OE1 3.34Å; T245-E361 PolarHBondContact OG1-OE1 3.49Å; T245-R375 PolarHBondContact N-O 2.03Å; T245-R375 WeakPolarHBondContact OG1-CB 3.49Å; T245-R375 PolarHBondContact OG1-O 3.28Å; T245-R377 HydrophobicContact CG2-CB 4.4Å; T245-R377 HydrophobicContact CG2-CG 3.85Å
246	Y	94	Very high	80.1	Confident	116 Å²	116	54.3 Å²	54.3	46%	0.455	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	141.4	179.9	171.4	-97.7	0	0	0	111	G374 R375	Y246-G374 CarbonylContact O-C 3.6Å; Y246-G374 WeakPolarHBondContact O-CA 3.34Å; Y246-R375 PolarHBondContact N-O 2.76Å; Y246-R375 PolarHBondContact O-N 3.3Å
247	T	91	Very high	77.9	Confident	8 Å²	8	56.1 Å²	56.1	5%	0.049	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.7	172	59.8	0	0	0	0	110.5	I244 L329 P331 W364	I244-T247 HydrophobicContact CG2-CG2 3.42Å; I244-T247 VanDerWaalsContact CG2-CG2 3.42Å; T247-L329 HydrophobicContact CG2-CB 4.42Å; T247-L329 WeakPolarHBondContact CG2-O 3.47Å; T247-P331 WeakPolarHBondContact OG1-CD 3.37Å; T247-W364 HydrophobicContact CG2-CH2 4Å; T247-W364 HydrophobicContact CG2-CZ2 3.68Å
248	N	89.8	Confident	75.4	Confident	25 Å²	25	61 Å²	61	13%	0.134	30%	0.302	C	S	.	.			trans	-81.8	166.3	172.7	70.7	-21.3	0	0	0	112.1	A250 C251 D371 Q373	N248-A250 PolarHBondContact O-N 2.93Å; N248-A250 VanDerWaalsContact O-N 3.14Å; N248-C251 WeakPolarHBondContact O-CB 3.16Å; N248-C251 PolarHBondContact O-N 2.85Å; N248-C251 VanDerWaalsContact O-N 3.09Å; N248-C251 PolarHBondContact OD1-SG 3.44Å; N248-D371 PolarHBondContact ND2-O 3.27Å; N248-Q373 PolarHBondContact N-O 2.97Å; N248-Q373 PolarHBondContact OD1-N 2.99Å; N248-Q373 PolarHBondContact OD1-O 2.7Å
249	Q	83.6	Confident	72.6	Confident	128 Å²	128	69.2 Å²	69.2	60%	0.598	34%	0.341	S	S	*	.	H	α-helix	trans	-56.7	-31	-179.9	-167.3	63.3	28.6	0	0	113.2	C251 Q252 T253	Q249-C251 PolarHBondContact O-N 3.5Å; Q249-Q252 VanDerWaalsContact NE2-OE1 3.1Å; Q249-Q252 WeakPolarHBondContact O-CB 3.05Å; Q249-Q252 PolarHBondContact O-N 3.18Å; Q249-T253 PolarHBondContact O-N 3.05Å
250	A	82	Confident	69.9	Low	23 Å²	23	75.6 Å²	75.6	19%	0.19	37%	0.367	C	S	.	.	H	α-helix	trans	-66.4	-21.8	-178.8	0	0	0	0	0	113.7	N248 Q252 T253 S370	N248-A250 PolarHBondContact O-N 2.93Å; N248-A250 VanDerWaalsContact O-N 3.14Å; A250-Q252 VanDerWaalsContact C-N 3.34Å; A250-T253 PolarHBondContact O-OG1 3.25Å; A250-T253 VanDerWaalsContact O-OG1 3.05Å; A250-S370 VanDerWaalsContact CB-O 3.23Å; A250-S370 WeakPolarHBondContact CB-O 3.47Å
251	C	79.3	Confident	67.1	Low	1 Å²	1	79.6 Å²	79.6	1%	0.007	39%	0.394	C	S	.	.	H	α-helix	trans	-73.3	-27.8	170.9	-60.1	0	0	0	0	112.2	N248 Q249 A327 C372	N248-C251 WeakPolarHBondContact O-CB 3.16Å; N248-C251 PolarHBondContact O-N 2.85Å; N248-C251 VanDerWaalsContact O-N 3.09Å; N248-C251 PolarHBondContact OD1-SG 3.44Å; Q249-C251 PolarHBondContact O-N 3.5Å; C251-A327 CarbonylContact O-C 3.55Å; C251-C372 VanDerWaalsContact CA-SG 3.59Å; C251-C372 HydrophobicContact CB-CB 4.03Å; C251-C372 WeakPolarHBondContact CB-SG 3.38Å; C251-C372 WeakPolarHBondContact SG-CA 3.15Å; C251-C372 WeakPolarHBondContact SG-CB 3.1Å; C251-C372 CovalentContact SG-SG 2.04Å; C251-C372 PolarHBondContact SG-SG 3.4Å
252	Q	69.7	Low	64.3	Low	116 Å²	116	83.3 Å²	83.3	54%	0.542	42%	0.423	S	S	.	.	H	α-helix	trans	-84.6	-26.8	-176	-58.7	176.1	7.1	0	0	112.6	Q249 A250 Q254	Q249-Q252 VanDerWaalsContact NE2-OE1 3.1Å; Q249-Q252 WeakPolarHBondContact O-CB 3.05Å; Q249-Q252 PolarHBondContact O-N 3.18Å; A250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.29Å
253	T	59.2	Low	61.5	Low	69 Å²	69	87 Å²	87	42%	0.423	45%	0.448	S	S	.	.	S	Bend	trans	-70.6	114.5	175.3	52.2	0	0	0	0	108.5	Q249 A250 N255	Q249-T253 PolarHBondContact O-N 3.05Å; A250-T253 PolarHBondContact O-OG1 3.25Å; A250-T253 VanDerWaalsContact O-OG1 3.05Å; T253-N255 PolarHBondContact O-N 2.84Å
254	Q	53.4	Low	58.8	Low	164 Å²	164	96.1 Å²	96.1	77%	0.766	48%	0.481	S	S	*	.			trans	-52.4	106.5	162.8	-71.7	-176	-10.4	0	0	106.7	Q252 L256	Q252-Q254 PolarHBondContact O-N 3.29Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 2.84Å
255	N	44.7	Very low	56	Low	47 Å²	47	103.1 Å²	103.1	25%	0.251	52%	0.518	S	S	.	.			trans	-73.9	93.7	-171.5	-164.2	20.7	0	0	0	108.2	T253 L257 S370	T253-N255 PolarHBondContact O-N 2.84Å; N255-L257 PolarHBondContact O-N 3.47Å; N255-S370 VanDerWaalsContact CG-CB 3.41Å; N255-S370 WeakPolarHBondContact ND2-CB 3.46Å; N255-S370 PolarHBondContact ND2-N 3.35Å; N255-S370 PolarHBondContact ND2-OG 2.94Å; N255-S370 WeakPolarHBondContact OD1-CB 3.33Å; N255-S370 PolarHBondContact OD1-OG 3.19Å
256	L	41.4	Very low	53	Low	157 Å²	157	109.8 Å²	109.8	82%	0.822	55%	0.547	S	S	*	.			trans	-60.2	1.6	176.6	-75.8	161.6	0	0	0	114	Q254 W258	Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 2.84Å; L256-W258 PolarHBondContact O-N 3.25Å
257	L	34.3	Very low	49.8	Very low	128 Å²	128	114.1 Å²	114.1	67%	0.67	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	12.4	-169.8	-102	153.6	0	0	0	115.7	N255	N255-L257 PolarHBondContact O-N 3.47Å
258	W	31.9	Very low	46.9	Very low	131 Å²	131	117.5 Å²	117.5	50%	0.496	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-131.7	59.2	171	-60.5	116.2	0	0	0	112.3	L256 F260 W322	L256-W258 PolarHBondContact O-N 3.25Å; W258-F260 HydrophobicContact CB-CD2 4.49Å; W258-F260 AromaticContact CD2-CD2 3.76Å; W258-F260 HydrophobicContact CD2-CD2 3.76Å; W258-F260 AromaticContact CD2-CE2 3.74Å; W258-F260 HydrophobicContact CD2-CE2 3.74Å; W258-F260 HydrophobicContact CE3-CD1 4.38Å; W258-F260 AromaticContact CE3-CD2 3.08Å; W258-F260 HydrophobicContact CE3-CD2 3.08Å; W258-F260 HydrophobicContact CE3-CE1 4.2Å; W258-F260 AromaticContact CE3-CE2 2.92Å; W258-F260 HydrophobicContact CE3-CE2 2.92Å; W258-F260 AromaticContact CE3-CG 3.88Å; W258-F260 HydrophobicContact CE3-CG 3.88Å; W258-F260 AromaticContact CE3-CZ 3.52Å; W258-F260 HydrophobicContact CE3-CZ 3.52Å; W258-F260 HydrophobicContact CG-CD2 4.42Å; W258-F260 HydrophobicContact CH2-CD2 4.42Å; W258-F260 AromaticContact CH2-CE2 3.45Å; W258-F260 HydrophobicContact CH2-CE2 3.45Å; W258-F260 VanDerWaalsContact CH2-CE2 3.45Å; W258-F260 AromaticContact CH2-CZ 3.7Å; W258-F260 HydrophobicContact CH2-CZ 3.7Å; W258-F260 HydrophobicContact CZ2-CE2 4.18Å; W258-F260 HydrophobicContact CZ3-CD1 4.49Å; W258-F260 AromaticContact CZ3-CD2 3.55Å; W258-F260 HydrophobicContact CZ3-CD2 3.55Å; W258-F260 AromaticContact CZ3-CE1 3.87Å; W258-F260 HydrophobicContact CZ3-CE1 3.87Å; W258-F260 AromaticContact CZ3-CE2 2.8Å; W258-F260 HydrophobicContact CZ3-CE2 2.8Å; W258-F260 HydrophobicContact CZ3-CG 4.35Å; W258-F260 AromaticContact CZ3-CZ 2.98Å; W258-F260 HydrophobicContact CZ3-CZ 2.98Å; W258-F260 PolarHBondContact O-N 2.87Å; W258-W322 HydrophobicContact CB-CH2 3.67Å; W258-W322 HydrophobicContact CB-CZ2 4.36Å; W258-W322 AromaticContact CD1-CH2 3.28Å; W258-W322 AromaticContact CD1-CZ3 3.48Å; W258-W322 VanDerWaalsContact CD1-CZ3 3.48Å; W258-W322 AromaticContact CG-CH2 3.65Å; W258-W322 HydrophobicContact CG-CH2 3.65Å; W258-W322 HydrophobicContact CG-CZ3 4.25Å; W258-W322 AromaticContact NE1-CZ3 3.91Å
259	Q	30.5	Very low	44	Very low	193 Å²	193	125.9 Å²	125.9	90%	0.902	62%	0.617	S	S	*	*			trans	-68.9	62.6	135	-79.7	-178.8	-28.6	0	0	108.9	S261	Q259-S261 PolarHBondContact O-N 3.29Å
260	F	30.7	Very low	41.4	Very low	152 Å²	152	128.2 Å²	128.2	67%	0.667	62%	0.621	S	S	*	*			trans	-68.6	103	149	-85.5	-55.1	0	0	0	104.6	W258 S262	W258-F260 HydrophobicContact CB-CD2 4.49Å; W258-F260 AromaticContact CD2-CD2 3.76Å; W258-F260 HydrophobicContact CD2-CD2 3.76Å; W258-F260 AromaticContact CD2-CE2 3.74Å; W258-F260 HydrophobicContact CD2-CE2 3.74Å; W258-F260 HydrophobicContact CE3-CD1 4.38Å; W258-F260 AromaticContact CE3-CD2 3.08Å; W258-F260 HydrophobicContact CE3-CD2 3.08Å; W258-F260 HydrophobicContact CE3-CE1 4.2Å; W258-F260 AromaticContact CE3-CE2 2.92Å; W258-F260 HydrophobicContact CE3-CE2 2.92Å; W258-F260 AromaticContact CE3-CG 3.88Å; W258-F260 HydrophobicContact CE3-CG 3.88Å; W258-F260 AromaticContact CE3-CZ 3.52Å; W258-F260 HydrophobicContact CE3-CZ 3.52Å; W258-F260 HydrophobicContact CG-CD2 4.42Å; W258-F260 HydrophobicContact CH2-CD2 4.42Å; W258-F260 AromaticContact CH2-CE2 3.45Å; W258-F260 HydrophobicContact CH2-CE2 3.45Å; W258-F260 VanDerWaalsContact CH2-CE2 3.45Å; W258-F260 AromaticContact CH2-CZ 3.7Å; W258-F260 HydrophobicContact CH2-CZ 3.7Å; W258-F260 HydrophobicContact CZ2-CE2 4.18Å; W258-F260 HydrophobicContact CZ3-CD1 4.49Å; W258-F260 AromaticContact CZ3-CD2 3.55Å; W258-F260 HydrophobicContact CZ3-CD2 3.55Å; W258-F260 AromaticContact CZ3-CE1 3.87Å; W258-F260 HydrophobicContact CZ3-CE1 3.87Å; W258-F260 AromaticContact CZ3-CE2 2.8Å; W258-F260 HydrophobicContact CZ3-CE2 2.8Å; W258-F260 HydrophobicContact CZ3-CG 4.35Å; W258-F260 AromaticContact CZ3-CZ 2.98Å; W258-F260 HydrophobicContact CZ3-CZ 2.98Å; W258-F260 PolarHBondContact O-N 2.87Å; F260-S262 PolarHBondContact O-N 3.09Å; F260-S262 VanDerWaalsContact O-N 3.11Å
261	S	31	Very low	38.8	Very low	85 Å²	85	135.6 Å²	135.6	59%	0.594	65%	0.646	S	S	*	*			trans	-32.5	122.4	156.8	179.4	0	0	0	0	107.6	Q259 S263	Q259-S261 PolarHBondContact O-N 3.29Å; S261-S263 PolarHBondContact O-N 3.1Å; S261-S263 PolarHBondContact OG-OG 3.42Å
262	S	33.3	Very low	36.3	Very low	123 Å²	123	145 Å²	145	86%	0.86	68%	0.682	S	S	*	*			trans	-64.7	34.1	170.9	61.5	0	0	0	0	111.7	F260 R264	F260-S262 PolarHBondContact O-N 3.09Å; F260-S262 VanDerWaalsContact O-N 3.11Å; S262-R264 PolarHBondContact O-N 2.95Å
263	S	34.9	Very low	34.5	Very low	77 Å²	77	144.3 Å²	144.3	54%	0.538	69%	0.688	S	S	.	*			trans	-66.1	78.3	163.7	-62.9	0	0	0	0	106	S261 D265	S261-S263 PolarHBondContact O-N 3.1Å; S261-S263 PolarHBondContact OG-OG 3.42Å; S263-D265 WeakPolarHBondContact O-CA 3.34Å; S263-D265 PolarHBondContact O-N 2.86Å
264	R	35.1	Very low	33	Very low	237 Å²	237	147.9 Å²	147.9	89%	0.894	71%	0.705	S	S	*	*			trans	2.6	84.9	142.6	-166.9	-179.5	-68.2	179.2	-2.7	108.2	S262 Q266	S262-R264 PolarHBondContact O-N 2.95Å; R264-Q266 PolarHBondContact O-N 2.79Å
265	D	32.5	Very low	31.9	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	71%	0.712	S	S	*	*			trans	-61.8	99.2	-178.7	-92.9	-42.7	0	0	0	103.9	S263 Y267	S263-D265 WeakPolarHBondContact O-CA 3.34Å; S263-D265 PolarHBondContact O-N 2.86Å; D265-Y267 PolarHBondContact O-N 3.43Å
266	Q	30.8	Very low	31	Very low	179 Å²	179	159.6 Å²	159.6	84%	0.836	74%	0.74	S	S	*	*			trans	-56.8	83.9	159.6	179.9	162.9	-7.2	0	0	103.7	R264 P268	R264-Q266 PolarHBondContact O-N 2.79Å; Q266-P268 WeakPolarHBondContact O-CD 3.23Å
267	Y	26	Very low	30.5	Very low	206 Å²	206	161.9 Å²	161.9	81%	0.808	74%	0.743	S	S	*	*			trans	-47.1	111.6	175.2	-114.5	-90.8	0	0	0	105.1	D265 Y269	D265-Y267 PolarHBondContact O-N 3.43Å; Y267-Y269 PolarHBondContact O-N 2.87Å
268	P	31.2	Very low	30.1	Very low	79 Å²	79	167.1 Å²	167.1	51%	0.513	75%	0.754	S	S	.	*			trans	-61.4	114.6	174.8	-16.6	29.8	0	0	0	104.3	Q266 Y270	Q266-P268 WeakPolarHBondContact O-CD 3.23Å; P268-Y270 HydrophobicContact CB-CD2 4.33Å; P268-Y270 HydrophobicContact CB-CE2 3.98Å; P268-Y270 HydrophobicContact CG-CE2 4.23Å; P268-Y270 WeakPolarHBondContact O-CD2 3.4Å; P268-Y270 PolarHBondContact O-N 3.27Å
269	Y	28.5	Very low	30	Very low	201 Å²	201	169.9 Å²	169.9	79%	0.788	77%	0.772	S	S	*	*			trans	-62.2	91	172.6	-169	-91.9	0	0	0	105.8	Y267 Y271	Y267-Y269 PolarHBondContact O-N 2.87Å; Y269-Y271 HydrophobicContact CD1-CD2 4.07Å; Y269-Y271 AromaticContact CE1-CD2 3.55Å; Y269-Y271 HydrophobicContact CE1-CD2 3.55Å; Y269-Y271 HydrophobicContact CE1-CE2 4.23Å; Y269-Y271 HydrophobicContact CE1-CG 4.36Å; Y269-Y271 PolarHBondContact O-N 3.4Å
270	Y	29.4	Very low	30	Very low	177 Å²	177	168.3 Å²	168.3	69%	0.694	77%	0.77	S	S	*	*			trans	-68.9	86.5	170.6	-74.5	-78.7	0	0	0	105.8	P268 Y272	P268-Y270 HydrophobicContact CB-CD2 4.33Å; P268-Y270 HydrophobicContact CB-CE2 3.98Å; P268-Y270 HydrophobicContact CG-CE2 4.23Å; P268-Y270 WeakPolarHBondContact O-CD2 3.4Å; P268-Y270 PolarHBondContact O-N 3.27Å; Y270-Y272 VanDerWaalsContact O-CD2 3.3Å; Y270-Y272 WeakPolarHBondContact O-CD2 3.11Å; Y270-Y272 PolarHBondContact O-N 3.37Å
271	Y	27.2	Very low	29.9	Very low	179 Å²	179	164.3 Å²	164.3	70%	0.702	77%	0.772	S	S	*	*			trans	-57.7	107.8	161.1	-152.5	-81.1	0	0	0	104.8	Y269 P273	Y269-Y271 HydrophobicContact CD1-CD2 4.07Å; Y269-Y271 AromaticContact CE1-CD2 3.55Å; Y269-Y271 HydrophobicContact CE1-CD2 3.55Å; Y269-Y271 HydrophobicContact CE1-CE2 4.23Å; Y269-Y271 HydrophobicContact CE1-CG 4.36Å; Y269-Y271 PolarHBondContact O-N 3.4Å; Y271-P273 WeakPolarHBondContact O-CD 3.1Å
272	Y	26.9	Very low	29.7	Very low	197 Å²	197	170.5 Å²	170.5	77%	0.773	78%	0.783	S	S	*	*			trans	-75.9	102.7	170.3	-73.7	-89.4	0	0	0	106.3	Y270 N274	Y270-Y272 VanDerWaalsContact O-CD2 3.3Å; Y270-Y272 WeakPolarHBondContact O-CD2 3.11Å; Y270-Y272 PolarHBondContact O-N 3.37Å; Y272-N274 PolarHBondContact O-N 3.32Å; Y272-N274 VanDerWaalsContact O-N 3.1Å
273	P	30.8	Very low	29.6	Very low	102 Å²	102	171.6 Å²	171.6	66%	0.662	78%	0.779	S	S	*	*			trans	-63.1	120	170.4	26.7	-33.3	0	0	0	107.4	Y271 R275	Y271-P273 WeakPolarHBondContact O-CD 3.1Å; P273-R275 PolarHBondContact O-N 3.49Å
274	N	28.9	Very low	29.3	Very low	145 Å²	145	171.7 Å²	171.7	78%	0.775	79%	0.793	S	S	*	*			trans	-43.8	102.8	174.9	-75.8	-45.8	0	0	0	110.3	Y272 Y276	Y272-N274 PolarHBondContact O-N 3.32Å; Y272-N274 VanDerWaalsContact O-N 3.1Å; N274-Y276 PolarHBondContact O-N 2.72Å
275	R	29.7	Very low	29	Very low	241 Å²	241	169.2 Å²	169.2	91%	0.909	79%	0.792	S	S	*	*			trans	-74	71.7	170.4	-83.1	-171.9	-169.3	171	4.2	109.3	P273	P273-R275 PolarHBondContact O-N 3.49Å
276	Y	26.6	Very low	28.8	Very low	216 Å²	216	167.7 Å²	167.7	85%	0.847	79%	0.792	S	S	*	*			trans	-127.9	64.6	157.4	-70.2	-75.8	0	0	0	108	N274	N274-Y276 PolarHBondContact O-N 2.72Å
277	K	30.4	Very low	28.6	Very low	204 Å²	204	166 Å²	166	89%	0.887	79%	0.787	S	S	*	*			trans	-130.5	117	162.1	-77.1	-167.5	177	180	0	109.5
278	R	26.3	Very low	28.5	Very low	239 Å²	239	162.6 Å²	162.6	90%	0.902	79%	0.788	S	S	*	*			trans	-41.8	143.2	-178.7	-77.4	170.9	178.2	175.4	-1.1	112.9	N280	R278-N280 PolarHBondContact O-N 3.25Å
279	H	28.5	Very low	28.2	Very low	188 Å²	188	168 Å²	168	87%	0.87	80%	0.804	S	S	*	*			trans	-34.5	119	155.4	-68.5	-90.5	0	0	0	111.8
280	N	30.6	Very low	28.1	Very low	161 Å²	161	163.4 Å²	163.4	86%	0.861	80%	0.802	S	S	*	*			trans	-138.7	123.1	147.7	-88.4	-23.6	0	0	0	105.3	R278	R278-N280 PolarHBondContact O-N 3.25Å
281	G	28.9	Very low	27.9	Very low	68 Å²	68	167 Å²	167	70%	0.701	81%	0.814	S	S	*	*			trans	-62.6	153.3	-178	0	0	0	0	0	111.9
282	Y	28.1	Very low	27.8	Very low	215 Å²	215	167.1 Å²	167.1	84%	0.843	82%	0.818	S	S	*	*				173.8	132.2	120.9	-107.1	-93.3	0	0	0	110.1
283	N	30.6	Very low	27.8	Very low	145 Å²	145	162.4 Å²	162.4	78%	0.775	81%	0.814	S	S	*	*			trans	44.1	122.4	154.9	-64.5	-7	0	0	0	121.6
284	G	27.4	Very low	27.7	Very low	80 Å²	80	166.4 Å²	166.4	83%	0.825	82%	0.821	S	S	*	*			trans	-69.8	142.9	179.6	0	0	0	0	0	115
285	Q	29.7	Very low	27.5	Very low	185 Å²	185	167.7 Å²	167.7	86%	0.864	83%	0.827	S	S	*	*			trans	-137.3	111.9	151.1	-73.1	-174.9	-11.9	0	0	107.1	I287	Q285-I287 PolarHBondContact O-N 2.91Å
286	S	27.6	Very low	27.3	Very low	114 Å²	114	162.4 Å²	162.4	80%	0.797	81%	0.813	S	S	*	*			trans	-80.8	105.5	175.6	52.6	0	0	0	0	109.5	T288	S286-T288 PolarHBondContact O-N 3.12Å
287	I	27.7	Very low	27.2	Very low	143 Å²	143	161.2 Å²	161.2	73%	0.733	82%	0.815	S	S	*	*			trans	-78.5	112.8	176.9	-64.9	167.4	0	0	0	109	Q285 F289	Q285-I287 PolarHBondContact O-N 2.91Å; I287-F289 HydrophobicContact CG2-CD2 4.41Å; I287-F289 HydrophobicContact CG2-CE2 4.34Å
288	T	23.4	Very low	27	Very low	136 Å²	136	161.5 Å²	161.5	83%	0.834	81%	0.81	S	S	*	*			trans	-86.2	120.3	177	-4.4	0	0	0	0	109.7	S286	S286-T288 PolarHBondContact O-N 3.12Å
289	F	25.7	Very low	26.8	Very low	192 Å²	192	159.2 Å²	159.2	84%	0.842	81%	0.81	S	S	*	*			trans	-83.5	115.1	179.1	-96.1	-100.1	0	0	0	111.5	I287	I287-F289 HydrophobicContact CG2-CD2 4.41Å; I287-F289 HydrophobicContact CG2-CE2 4.34Å
290	S	25.3	Very low	26.5	Very low	105 Å²	105	160.7 Å²	160.7	73%	0.734	81%	0.809	S	S	*	*			trans	-81.3	113.6	171.5	175.2	0	0	0	0	110.6	K292	S290-K292 PolarHBondContact O-N 3.1Å
291	R	24.9	Very low	26.3	Very low	253 Å²	253	160.5 Å²	160.5	96%	0.955	81%	0.808	S	S	*	*			trans	-83.6	90.2	170.6	-87.4	-178.8	171.4	-179.5	-2.5	109.4
292	K	26.3	Very low	26.1	Very low	180 Å²	180	167.4 Å²	167.4	78%	0.783	82%	0.819	S	S	*	*			trans	-130.8	114.1	164.4	-82.8	-171.4	176.5	-179.2	0	111	S290	S290-K292 PolarHBondContact O-N 3.1Å
293	S	26.2	Very low	26.2	Very low	99 Å²	99	165.3 Å²	165.3	69%	0.692	82%	0.821	S	S	*	*			trans	52	93.7	140.2	57.6	0	0	0	0	117.7
294	F	27.6	Very low	25.9	Very low	185 Å²	185	161.2 Å²	161.2	81%	0.811	81%	0.813	S	S	*	*			trans	-126.5	73.3	152.5	-137.5	-91.5	0	0	0	108.1	H296	F294-H296 HydrophobicContact CD1-CB 4.4Å; F294-H296 AromaticContact CD1-ND1 3.9Å; F294-H296 AromaticContact CE1-CE1 3.99Å; F294-H296 AromaticContact CE1-ND1 3.39Å; F294-H296 WeakPolarHBondContact CE1-ND1 3.48Å; F294-H296 PolarHBondContact O-N 2.83Å
295	L	26.2	Very low	25.7	Very low	172 Å²	172	165.4 Å²	165.4	90%	0.901	82%	0.817	S	S	*	*			trans	-81.4	100	166.9	-74.1	167.5	0	0	0	106.4
296	H	25.9	Very low	25.7	Very low	131 Å²	131	163 Å²	163	61%	0.606	82%	0.815	S	S	*	*			trans	-104.6	100.4	170.8	-124.6	75.9	0	0	0	108.3	F294 R298	F294-H296 HydrophobicContact CD1-CB 4.4Å; F294-H296 AromaticContact CD1-ND1 3.9Å; F294-H296 AromaticContact CE1-CE1 3.99Å; F294-H296 AromaticContact CE1-ND1 3.39Å; F294-H296 WeakPolarHBondContact CE1-ND1 3.48Å; F294-H296 PolarHBondContact O-N 2.83Å; H296-R298 PolarHBondContact O-N 2.98Å
297	E	23.7	Very low	25.4	Very low	191 Å²	191	160.5 Å²	160.5	89%	0.893	81%	0.807	S	S	*	*			trans	-70.6	112.1	174.5	-166.5	159.1	-163.5	0	0	108.4
298	R	26.8	Very low	25.3	Very low	210 Å²	210	161.9 Å²	161.9	79%	0.792	82%	0.815	S	S	*	*			trans	-118.2	107	-174.2	-142.1	-177.6	-80.9	-155.4	-2.2	109.7	H296	H296-R298 PolarHBondContact O-N 2.98Å
299	Q	21.3	Very low	25.5	Very low	190 Å²	190	162 Å²	162	89%	0.888	81%	0.811	S	S	*	*			trans	-65.2	135.1	178.6	-77.2	175.2	-23.1	0	0	111.8
300	Y	23.3	Very low	25.3	Very low	220 Å²	220	161.8 Å²	161.8	86%	0.863	81%	0.809	S	S	*	*			trans	-78.7	126.4	180	-72.2	-93.6	0	0	0	111.7
301	N	24.9	Very low	25.4	Very low	156 Å²	156	163.3 Å²	163.3	83%	0.834	81%	0.809	S	S	*	*			trans	-103.8	110	159.3	-78.1	-22.7	0	0	0	109	L303	N301-L303 PolarHBondContact O-N 2.68Å
302	K	25.4	Very low	25.4	Very low	214 Å²	214	163.8 Å²	163.8	93%	0.93	81%	0.811	S	S	*	*			trans	-65.9	118.5	168	-90	175.1	171	175.6	0	108.4
303	L	29	Very low	25.5	Very low	171 Å²	171	162.6 Å²	162.6	90%	0.895	81%	0.808	S	S	*	*			trans	-123.3	139.7	173	-134.3	141.5	0	0	0	110.3	N301	N301-L303 PolarHBondContact O-N 2.68Å
304	G	25.2	Very low	25.7	Very low	59 Å²	59	163.9 Å²	163.9	61%	0.608	81%	0.807	S	S	*	*			trans	-62.8	140.6	-159	0	0	0	0	0	116.8
305	N	24.1	Very low	25.8	Very low	167 Å²	167	162.8 Å²	162.8	89%	0.893	81%	0.81	S	S	*	*			trans	0.6	113.6	135.5	-145.4	18.3	0	0	0	116.8
306	T	28.3	Very low	26.1	Very low	136 Å²	136	165 Å²	165	83%	0.834	81%	0.808	S	S	*	*			trans	-133.4	128.6	158.7	45.3	0	0	0	0	109
307	G	22.5	Very low	26.5	Very low	60 Å²	60	163 Å²	163	62%	0.619	81%	0.808	S	S	*	*			trans	-82.3	-173.5	-179.6	0	0	0	0	0	114.1
308	L	25.1	Very low	27.2	Very low	173 Å²	173	159.3 Å²	159.3	91%	0.906	80%	0.795	S	S	*	*			trans	76.4	130.3	-171.6	-61.7	104.1	0	0	0	112.4
309	N	26.7	Very low	27.8	Very low	139 Å²	139	153.2 Å²	153.2	74%	0.743	78%	0.784	S	S	*	*			cis	-162	149	38	-158	-4.2	0	0	0	109.2	N311	N309-N311 PolarHBondContact O-N 3.12Å
310	K	23.3	Very low	28.5	Very low	186 Å²	186	150.5 Å²	150.5	81%	0.809	77%	0.772	S	S	*	*			trans	-71.3	122.2	174.8	-67.1	170.5	175.2	175.2	0	108.6
311	N	25.6	Very low	29.4	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	75%	0.748	S	S	*	*			trans	-151.2	127.2	155.2	-87.3	-22.2	0	0	0	108.2	N309 E313	N309-N311 PolarHBondContact O-N 3.12Å; N311-E313 VanDerWaalsContact C-N 3.35Å; N311-E313 PolarHBondContact O-N 2.9Å
312	W	25.2	Very low	30	Very low	264 Å²	264	139.3 Å²	139.3	100%	1	72%	0.724	S	S	*	*			trans	-74.1	85.9	177.4	-77.7	29.5	0	0	0	109.1
313	E	29.1	Very low	30.8	Very low	155 Å²	155	132.4 Å²	132.4	72%	0.724	70%	0.697	S	S	*	*			trans	-141.6	118.3	172.1	-96.9	164.4	180	0	0	108.2	N311	N311-E313 VanDerWaalsContact C-N 3.35Å; N311-E313 PolarHBondContact O-N 2.9Å
314	D	31	Very low	31.7	Very low	126 Å²	126	127.9 Å²	127.9	67%	0.674	68%	0.676	S	S	*	*			trans	66.3	86.7	154.1	-54.2	-27.8	0	0	0	116.9	Y316	D314-Y316 HydrophobicContact CB-CD2 4.1Å; D314-Y316 PolarHBondContact O-N 2.97Å
315	D	29	Very low	32.9	Very low	161 Å²	161	127.1 Å²	127.1	86%	0.861	66%	0.657	S	S	*	*			trans	-67.4	51	156.4	-148.3	7	0	0	0	110.1	S317	D315-S317 VanDerWaalsContact C-N 3.3Å; D315-S317 PolarHBondContact O-N 2.01Å
316	Y	32	Very low	34.3	Very low	219 Å²	219	119.5 Å²	119.5	86%	0.859	62%	0.617	S	S	*	*			trans	-96.2	46.9	177.5	-105.3	-84.9	0	0	0	109.6	D314	D314-Y316 HydrophobicContact CB-CD2 4.1Å; D314-Y316 PolarHBondContact O-N 2.97Å
317	S	35.5	Very low	35.5	Very low	88 Å²	88	114.3 Å²	114.3	62%	0.615	59%	0.588	S	S	*	*			trans	-135.7	39.6	-179.3	-176.4	0	0	0	0	112.7	D315	D315-S317 VanDerWaalsContact C-N 3.3Å; D315-S317 PolarHBondContact O-N 2.01Å
318	N	38	Very low	37.5	Very low	114 Å²	114	116 Å²	116	61%	0.61	58%	0.582	S	S	*	*			trans	-104.4	62.6	159.7	-83.7	-33.5	0	0	0	110.5	E320 S321	N318-E320 PolarHBondContact O-N 3.45Å; N318-S321 PolarHBondContact O-N 2.91Å
319	S	39	Very low	40.2	Very low	82 Å²	82	107.9 Å²	107.9	57%	0.573	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	16.7	147	66.2	0	0	0	0	111.8	W322	S319-W322 PolarHBondContact O-NE1 3.46Å
320	E	37.2	Very low	42.9	Very low	134 Å²	134	104.4 Å²	104.4	63%	0.626	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-10.2	169.6	-63.4	-149.3	159.4	0	0	113.4	N318 W322 T324	N318-E320 PolarHBondContact O-N 3.45Å; E320-W322 PolarHBondContact O-N 3.15Å; E320-T324 PolarHBondContact O-OG1 3.18Å
321	S	41.1	Very low	46.1	Very low	51 Å²	51	99.1 Å²	99.1	36%	0.357	51%	0.508	S	S	.	.	H	α-helix	trans	-71.2	-31.7	-176.8	87.8	0	0	0	0	113.2	N318 I323 T324 H325	N318-S321 PolarHBondContact O-N 2.91Å; S321-I323 PolarHBondContact O-N 2.85Å; S321-T324 PolarHBondContact O-N 3.11Å; S321-T324 PolarHBondContact O-OG1 3.34Å; S321-H325 PolarHBondContact O-N 2.95Å; S321-H325 PolarHBondContact O-ND1 3.05Å
322	W	38.6	Very low	49	Very low	89 Å²	89	95 Å²	95	34%	0.337	50%	0.498	S	S	.	.	H	α-helix	trans	-66.5	-38.7	179.6	63.7	-64.3	0	0	0	113.2	W258 S319 E320 T324 H325	W258-W322 HydrophobicContact CB-CH2 3.67Å; W258-W322 HydrophobicContact CB-CZ2 4.36Å; W258-W322 AromaticContact CD1-CH2 3.28Å; W258-W322 AromaticContact CD1-CZ3 3.48Å; W258-W322 VanDerWaalsContact CD1-CZ3 3.48Å; W258-W322 AromaticContact CG-CH2 3.65Å; W258-W322 HydrophobicContact CG-CH2 3.65Å; W258-W322 HydrophobicContact CG-CZ3 4.25Å; W258-W322 AromaticContact NE1-CZ3 3.91Å; S319-W322 PolarHBondContact O-NE1 3.46Å; E320-W322 PolarHBondContact O-N 3.15Å; W322-T324 PolarHBondContact O-N 2.88Å; W322-H325 PolarHBondContact O-N 3.28Å
323	I	42.4	Very low	52	Low	69 Å²	69	84 Å²	84	35%	0.354	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-38.2	179.1	-53.2	179.1	0	0	0	108.7	S321 A327	S321-I323 PolarHBondContact O-N 2.85Å; I323-A327 WeakPolarHBondContact O-CB 3.42Å; I323-A327 PolarHBondContact O-N 2.55Å
324	T	46.3	Very low	54.9	Low	76 Å²	76	82.4 Å²	82.4	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-80.5	-22.6	-176.3	49.6	0	0	0	0	114.7	E320 S321 W322 L328	E320-T324 PolarHBondContact O-OG1 3.18Å; S321-T324 PolarHBondContact O-N 3.11Å; S321-T324 PolarHBondContact O-OG1 3.34Å; W322-T324 PolarHBondContact O-N 2.88Å; T324-L328 WeakPolarHBondContact O-CB 3.3Å
325	H	50.5	Low	57.6	Low	43 Å²	43	76.5 Å²	76.5	20%	0.199	42%	0.419	C	S	.	.	H	α-helix	trans	-78	-43.2	-178	-75.2	66.7	0	0	0	112.9	P197 S321 W322 V392 F395	P197-H325 HydrophobicContact CB-CB 4.43Å; S321-H325 PolarHBondContact O-N 2.95Å; S321-H325 PolarHBondContact O-ND1 3.05Å; W322-H325 PolarHBondContact O-N 3.28Å; H325-V392 PolarHBondContact CD2-O 2.73Å; H325-V392 PolarHBondContact NE2-O 3.01Å; H325-F395 WeakPolarHBondContact O-CZ 3.49Å
326	S	53.1	Low	60.3	Low	8 Å²	8	70.3 Å²	70.3	6%	0.056	39%	0.387	C	S	.	.	H	α-helix	trans	-97.5	-36.1	-173.5	58.1	0	0	0	0	113.6	L328 L329 T369	S326-L328 PolarHBondContact O-N 3.43Å; S326-L329 WeakPolarHBondContact O-CG 3.29Å; S326-L329 PolarHBondContact O-N 3.27Å; S326-T369 WeakPolarHBondContact OG-CG2 3.38Å
327	A	54.8	Low	63.1	Low	27 Å²	27	59.9 Å²	59.9	22%	0.223	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.6	174.8	0	0	0	0	0	113	C251 I323	C251-A327 CarbonylContact O-C 3.55Å; I323-A327 WeakPolarHBondContact O-CB 3.42Å; I323-A327 PolarHBondContact O-N 2.55Å
328	L	64	Low	65.6	Low	96 Å²	96	55.7 Å²	55.7	50%	0.503	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	8.6	176.6	-149.8	92.2	0	0	0	112.8	T324 S326 T330 Q333	T324-L328 WeakPolarHBondContact O-CB 3.3Å; S326-L328 PolarHBondContact O-N 3.43Å; L328-T330 WeakPolarHBondContact O-CG2 3.4Å; L328-T330 PolarHBondContact O-N 2.99Å; L328-T330 PolarHBondContact O-OG1 3.04Å; L328-Q333 PolarHBondContact O-OE1 2.96Å
329	L	80.9	Confident	68.1	Low	1 Å²	1	50.2 Å²	50.2	1%	0.005	29%	0.288	C	S	.	.			trans	-62.1	102.5	174.2	-70	178.2	0	0	0	109.1	I244 T247 S326 I335 W364 A366 F395	I244-L329 HydrophobicContact CD1-CD2 4.27Å; I244-L329 HydrophobicContact CG1-CD2 4.29Å; T247-L329 HydrophobicContact CG2-CB 4.42Å; T247-L329 WeakPolarHBondContact CG2-O 3.47Å; S326-L329 WeakPolarHBondContact O-CG 3.29Å; S326-L329 PolarHBondContact O-N 3.27Å; L329-I335 HydrophobicContact CD2-CD1 4.45Å; L329-I335 HydrophobicContact CD2-CG2 3.7Å; L329-W364 HydrophobicContact CB-CH2 3.91Å; L329-W364 HydrophobicContact CB-CZ2 4.4Å; L329-W364 HydrophobicContact CD1-CE3 4.28Å; L329-W364 HydrophobicContact CD1-CH2 3.5Å; L329-W364 HydrophobicContact CD1-CZ2 4.24Å; L329-W364 HydrophobicContact CD1-CZ3 3.53Å; L329-W364 HydrophobicContact CG-CH2 4.35Å; L329-A366 HydrophobicContact CD1-CB 4.36Å; L329-F395 HydrophobicContact CD1-CE1 4.42Å; L329-F395 HydrophobicContact CD1-CZ 4.1Å; L329-F395 HydrophobicContact CD2-CE2 3.85Å; L329-F395 HydrophobicContact CD2-CZ 3.7Å; L329-F395 HydrophobicContact CG-CZ 4.13Å
330	T	84.6	Confident	70.3	Confident	67 Å²	67	47.5 Å²	47.5	41%	0.411	27%	0.265	S	S	.	.			trans	-117.3	146.5	-175.2	44.8	0	0	0	0	110.7	I244 L328 G332 Q333	I244-T330 WeakPolarHBondContact CB-O 3.01Å; I244-T330 WeakPolarHBondContact CG2-O 3.47Å; L328-T330 WeakPolarHBondContact O-CG2 3.4Å; L328-T330 PolarHBondContact O-N 2.99Å; L328-T330 PolarHBondContact O-OG1 3.04Å; T330-G332 PolarHBondContact O-N 3.32Å; T330-Q333 VanDerWaalsContact N-OE1 3.16Å; T330-Q333 WeakPolarHBondContact O-CB 3.04Å; T330-Q333 PolarHBondContact O-N 3.21Å; T330-Q333 PolarHBondContact OG1-OE1 3.13Å
331	P	89.9	Confident	72.5	Confident	75 Å²	75	42.6 Å²	42.6	49%	0.487	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	136.7	175.5	-23.1	35.2	0	0	0	111.6	I244 T247 Q333	I244-P331 CarbonylContact O-C 3.55Å; I244-P331 WeakPolarHBondContact O-CA 3.05Å; T247-P331 WeakPolarHBondContact OG1-CD 3.37Å; P331-Q333 VanDerWaalsContact C-N 3.3Å
332	G	87.6	Confident	74.4	Confident	50 Å²	50	44.4 Å²	44.4	52%	0.515	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-12	-173.5	0	0	0	0	0	114.5	I244 T330	I244-G332 PolarHBondContact O-N 3.1Å; T330-G332 PolarHBondContact O-N 3.32Å
333	Q	87.4	Confident	76.7	Confident	33 Å²	33	43.9 Å²	43.9	15%	0.154	25%	0.253	C	S	.	.			trans	-71.6	138	176.5	-172.9	-177.2	2.3	0	0	111.1	E243 I244 L328 T330 P331 I335	E243-Q333 WeakPolarHBondContact CA-O 3.31Å; I244-Q333 HydrophobicContact CG1-CB 4.47Å; I244-Q333 PolarHBondContact N-O 3.13Å; L328-Q333 PolarHBondContact O-OE1 2.96Å; T330-Q333 VanDerWaalsContact N-OE1 3.16Å; T330-Q333 WeakPolarHBondContact O-CB 3.04Å; T330-Q333 PolarHBondContact O-N 3.21Å; T330-Q333 PolarHBondContact OG1-OE1 3.13Å; P331-Q333 VanDerWaalsContact C-N 3.3Å; Q333-I335 HydrophobicContact CG-CG2 4.3Å
334	Q	89.4	Confident	78.9	Confident	122 Å²	122	41.6 Å²	41.6	57%	0.57	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.3	170.1	-66.3	-177.3	4.7	0	0	110.9	V241 Y242	V241-Q334 HydrophobicContact CG1-CB 4.1Å; Y242-Q334 CarbonylContact O-C 3.46Å; Y242-Q334 VanDerWaalsContact O-CA 3.25Å; Y242-Q334 WeakPolarHBondContact O-CA 3.35Å
335	I	87.9	Confident	80.7	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.4	178	68.3	165.2	0	0	0	109.9	L195 V241 Y242 I244 L329 Q333 V337 F376 A393 F395	L195-I335 HydrophobicContact CD1-CD1 4.08Å; V241-I335 CarbonylContact C-O 3.59Å; V241-I335 WeakPolarHBondContact CA-O 3.46Å; Y242-I335 PolarHBondContact N-O 3.1Å; Y242-I335 PolarHBondContact O-N 3.48Å; I244-I335 HydrophobicContact CD1-CD1 3.83Å; I244-I335 HydrophobicContact CD1-CG1 4.18Å; I244-I335 HydrophobicContact CD1-CG2 4.46Å; I244-I335 HydrophobicContact CG1-CG2 4.24Å; L329-I335 HydrophobicContact CD2-CD1 4.45Å; L329-I335 HydrophobicContact CD2-CG2 3.7Å; Q333-I335 HydrophobicContact CG-CG2 4.3Å; I335-V337 HydrophobicContact CD1-CG2 3.69Å; I335-V337 HydrophobicContact CG1-CG2 4.01Å; I335-F376 HydrophobicContact CD1-CD2 4.29Å; I335-A393 HydrophobicContact CB-CB 4.18Å; I335-A393 HydrophobicContact CG2-CB 3.7Å; I335-F395 HydrophobicContact CB-CD2 4.1Å; I335-F395 HydrophobicContact CB-CE2 4.09Å; I335-F395 HydrophobicContact CD1-CD2 3.84Å; I335-F395 HydrophobicContact CD1-CE2 4.07Å; I335-F395 HydrophobicContact CG2-CE2 4.02Å
336	C	86.7	Confident	81.9	Confident	30 Å²	30	47 Å²	47	20%	0.203	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.7	172.3	-171.7	0	0	0	0	108.7	C388 A393 S394 F395	C336-C388 VanDerWaalsContact CA-SG 3.54Å; C336-C388 HydrophobicContact CB-CB 3.59Å; C336-C388 WeakPolarHBondContact CB-SG 3.1Å; C336-C388 PolarHBondContact O-SG 3.42Å; C336-C388 WeakPolarHBondContact SG-CB 3.4Å; C336-C388 CovalentContact SG-SG 2.03Å; C336-C388 PolarHBondContact SG-SG 2.69Å; C336-A393 PolarHBondContact N-O 3.41Å; C336-S394 WeakPolarHBondContact O-CA 3.34Å; C336-F395 PolarHBondContact O-N 3.18Å
337	V	90.7	Very high	82.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129	177.6	-161.9	0	0	0	0	110.7	L195 C239 A240 Y242 I335 C388 F395 F397	L195-V337 HydrophobicContact CD2-CG1 3.73Å; L195-V337 HydrophobicContact CD2-CG2 4.18Å; C239-V337 WeakPolarHBondContact CA-O 3.37Å; A240-V337 PolarHBondContact N-O 2.6Å; A240-V337 PolarHBondContact O-N 3.15Å; Y242-V337 HydrophobicContact CD2-CB 4Å; Y242-V337 HydrophobicContact CD2-CG2 3.61Å; Y242-V337 HydrophobicContact CE2-CB 3.87Å; Y242-V337 HydrophobicContact CE2-CG2 3.98Å; Y242-V337 HydrophobicContact CG-CG2 4.37Å; I335-V337 HydrophobicContact CD1-CG2 3.69Å; I335-V337 HydrophobicContact CG1-CG2 4.01Å; V337-C388 PolarHBondContact N-SG 2.73Å; V337-F395 CarbonylContact C-O 3.59Å; V337-F395 VanDerWaalsContact CA-O 3.32Å; V337-F395 WeakPolarHBondContact CA-O 3.18Å; V337-F395 HydrophobicContact CB-CB 4.48Å; V337-F395 HydrophobicContact CG1-CB 4.01Å; V337-F395 HydrophobicContact CG2-CB 4.18Å; V337-F397 HydrophobicContact CB-CD2 4.17Å; V337-F397 HydrophobicContact CB-CE2 3.59Å; V337-F397 HydrophobicContact CB-CZ 3.89Å; V337-F397 HydrophobicContact CG1-CD1 4.12Å; V337-F397 HydrophobicContact CG1-CD2 3.37Å; V337-F397 HydrophobicContact CG1-CE1 4.02Å; V337-F397 HydrophobicContact CG1-CE2 3.25Å; V337-F397 HydrophobicContact CG1-CG 3.8Å; V337-F397 HydrophobicContact CG1-CZ 3.59Å; V337-F397 HydrophobicContact CG2-CZ 4.47Å
338	T	87.9	Confident	83.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.2	177.7	-51.1	0	0	0	0	110.5	Y238 Y340 T387 C388 F395 V396 F397	Y238-T338 CarbonylContact O-C 3.31Å; Y238-T338 WeakPolarHBondContact O-CA 3.43Å; T338-Y340 HydrophobicContact CG2-CD2 4.2Å; T338-Y340 HydrophobicContact CG2-CE1 4.41Å; T338-Y340 HydrophobicContact CG2-CE2 3.88Å; T338-T387 HydrophobicContact CG2-CG2 3.98Å; T338-C388 WeakPolarHBondContact OG1-CB 3.45Å; T338-C388 PolarHBondContact OG1-N 2.75Å; T338-C388 PolarHBondContact OG1-SG 2.91Å; T338-F395 PolarHBondContact N-O 3.1Å; T338-V396 CarbonylContact O-C 3.59Å; T338-V396 VanDerWaalsContact O-CA 3.31Å; T338-V396 WeakPolarHBondContact O-CA 3.38Å; T338-F397 PolarHBondContact O-N 3.27Å
339	C	90.4	Very high	84.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	114.9	170.6	178	0	0	0	0	108.7	P237 Y238 M344 C352 F397	P237-C339 WeakPolarHBondContact CA-O 3.24Å; Y238-C339 HydrophobicContact CD1-CB 3.89Å; Y238-C339 HydrophobicContact CD2-CB 4.1Å; Y238-C339 HydrophobicContact CE1-CB 3.41Å; Y238-C339 VanDerWaalsContact CE1-CB 3.41Å; Y238-C339 WeakPolarHBondContact CE1-SG 3.21Å; Y238-C339 HydrophobicContact CE2-CB 3.66Å; Y238-C339 HydrophobicContact CG-CB 4.2Å; Y238-C339 VanDerWaalsContact CZ-SG 3.58Å; Y238-C339 PolarHBondContact N-O 2.84Å; Y238-C339 VanDerWaalsContact N-O 3.11Å; Y238-C339 PolarHBondContact O-N 3.26Å; C339-M344 HydrophobicContact CB-CE 4.35Å; C339-M344 WeakPolarHBondContact O-CE 3.49Å; C339-M344 WeakPolarHBondContact SG-CG 3.45Å; C339-C352 VanDerWaalsContact CA-SG 3.59Å; C339-C352 HydrophobicContact CB-CB 3.88Å; C339-C352 WeakPolarHBondContact CB-SG 3.33Å; C339-C352 WeakPolarHBondContact SG-CB 3.23Å; C339-C352 PolarHBondContact SG-N 2.91Å; C339-C352 CovalentContact SG-SG 2.01Å; C339-C352 PolarHBondContact SG-SG 3.03Å; C339-F397 HydrophobicContact CB-CD2 3.85Å
340	Y	85.5	Confident	84.1	Confident	24 Å²	24	51.3 Å²	51.3	9%	0.094	28%	0.28	C	S	.	.			trans	-87.8	153	175.2	-72.8	-79.7	0	0	0	111.1	T206 P237 T338 T342 Y343 M344 T387 V396	T206-Y340 PolarHBondContact OG1-OH 3.04Å; P237-Y340 HydrophobicContact CB-CD1 3.99Å; P237-Y340 HydrophobicContact CB-CE1 4.39Å; T338-Y340 HydrophobicContact CG2-CD2 4.2Å; T338-Y340 HydrophobicContact CG2-CE1 4.41Å; T338-Y340 HydrophobicContact CG2-CE2 3.88Å; Y340-T342 PolarHBondContact O-N 3.48Å; Y340-T342 VanDerWaalsContact O-N 3.1Å; Y340-Y343 PolarHBondContact O-N 3.27Å; Y340-M344 PolarHBondContact O-N 3.17Å; Y340-T387 HydrophobicContact CE1-CG2 4.05Å; Y340-V396 HydrophobicContact CD2-CG1 3.8Å; Y340-V396 HydrophobicContact CD2-CG2 4.23Å; Y340-V396 HydrophobicContact CE2-CG1 4.11Å; Y340-V396 HydrophobicContact CE2-CG2 3.71Å
341	P	82.5	Confident	84.2	Confident	32 Å²	32	49.3 Å²	49.3	21%	0.208	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-55.7	-33.3	-175.8	-28.4	39.3	0	0	0	113.8	E234 P235 Y343 M344	E234-P341 HydrophobicContact CB-CB 4.45Å; P235-P341 HydrophobicContact CG-CB 4.14Å; P235-P341 WeakPolarHBondContact O-CG 3.1Å; P341-Y343 PolarHBondContact O-N 2.8Å; P341-M344 HydrophobicContact CG-CE 4.47Å; P341-M344 WeakPolarHBondContact O-CB 3.43Å; P341-M344 PolarHBondContact O-N 3.37Å; P341-M344 VanDerWaalsContact O-N 3.13Å
342	T	81.8	Confident	84.3	Confident	89 Å²	89	45.8 Å²	45.8	55%	0.546	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-61.9	-24.6	177.7	53.8	0	0	0	0	114.3	M211 Y340	M211-T342 HydrophobicContact SD-CG2 4.43Å; Y340-T342 PolarHBondContact O-N 3.48Å; Y340-T342 VanDerWaalsContact O-N 3.1Å
343	Y	87.3	Confident	84.3	Confident	77 Å²	77	45.9 Å²	45.9	30%	0.302	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-105.9	-3	179.6	-56	-69.5	0	0	0	112.4	Y340 P341 F397 V398	Y340-Y343 PolarHBondContact O-N 3.27Å; P341-Y343 PolarHBondContact O-N 2.8Å; Y343-F397 WeakPolarHBondContact CD2-O 3.21Å; Y343-V398 HydrophobicContact CD1-CG1 4.42Å; Y343-V398 WeakPolarHBondContact CD1-OXT 2.92Å; Y343-V398 HydrophobicContact CE1-CB 4.4Å; Y343-V398 HydrophobicContact CE1-CG1 3.83Å
344	M	86.7	Confident	84.4	Confident	21 Å²	21	44.3 Å²	44.3	10%	0.103	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.7	174.5	-68.8	-179.7	-168.9	0	0	110.4	P235 D236 Y238 C339 Y340 P341 Y350	P235-M344 HydrophobicContact CB-SD 3.98Å; P235-M344 HydrophobicContact CG-SD 3.57Å; P235-M344 VanDerWaalsContact CG-SD 3.57Å; D236-M344 WeakPolarHBondContact O-CE 2.93Å; Y238-M344 HydrophobicContact CD1-CE 3.41Å; Y238-M344 VanDerWaalsContact CD1-CE 3.41Å; Y238-M344 HydrophobicContact CD1-SD 4.45Å; Y238-M344 HydrophobicContact CE1-CE 3.75Å; Y238-M344 HydrophobicContact CE1-SD 4.45Å; Y238-M344 HydrophobicContact CG-CE 4.46Å; C339-M344 HydrophobicContact CB-CE 4.35Å; C339-M344 WeakPolarHBondContact O-CE 3.49Å; C339-M344 WeakPolarHBondContact SG-CG 3.45Å; Y340-M344 PolarHBondContact O-N 3.17Å; P341-M344 HydrophobicContact CG-CE 4.47Å; P341-M344 WeakPolarHBondContact O-CB 3.43Å; P341-M344 PolarHBondContact O-N 3.37Å; P341-M344 VanDerWaalsContact O-N 3.13Å; M344-Y350 WeakPolarHBondContact CG-O 3.32Å
345	R	84.4	Confident	84.4	Confident	101 Å²	101	38.6 Å²	38.6	38%	0.381	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.2	176.9	-73.9	-169	61.5	170.8	3.4	110.9	D347 L348 Y350 R351 T353	R345-D347 VanDerWaalsContact C-N 3.32Å; R345-D347 WeakPolarHBondContact CB-OD1 3.16Å; R345-D347 IonicContact CZ-OD1 3.12Å; R345-D347 IonicContact CZ-OD2 2.68Å; R345-D347 IonicContact NE-OD1 3.91Å; R345-D347 PolarHBondContact NE-OD1 3.02Å; R345-D347 IonicContact NE-OD2 3.41Å; R345-D347 VanDerWaalsContact NH2-CG 3.26Å; R345-D347 IonicContact NH2-OD1 2.9Å; R345-D347 PolarHBondContact NH2-OD1 3.44Å; R345-D347 VanDerWaalsContact NH2-OD1 3.12Å; R345-D347 IonicContact NH2-OD2 3.59Å; R345-D347 PolarHBondContact NH2-OD2 2.75Å; R345-D347 PolarHBondContact O-N 3.06Å; R345-L348 HydrophobicContact CB-CB 4.09Å; R345-L348 HydrophobicContact CB-CD1 3.71Å; R345-L348 HydrophobicContact CB-CG 3.66Å; R345-L348 HydrophobicContact CG-CD1 4.26Å; R345-L348 PolarHBondContact O-N 2.94Å; R345-L348 VanDerWaalsContact O-N 3.15Å; R345-Y350 WeakPolarHBondContact O-CA 3.16Å; R345-Y350 PolarHBondContact O-N 3.12Å; R345-R351 PolarHBondContact N-O 2.82Å; R345-T353 WeakPolarHBondContact CD-OG1 3.44Å
346	E	75.7	Confident	84.2	Confident	133 Å²	133	38.6 Å²	38.6	62%	0.621	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-63.8	-38.9	-179.6	-50.7	-162.1	135.4	0	0	111.8	L348 G349 Y350	E346-L348 PolarHBondContact O-N 3.39Å; E346-G349 PolarHBondContact O-N 3.41Å; E346-Y350 HydrophobicContact CB-CE1 4.17Å; E346-Y350 HydrophobicContact CG-CD1 4.16Å; E346-Y350 HydrophobicContact CG-CE1 3.55Å; E346-Y350 WeakPolarHBondContact OE1-CE1 3.15Å; E346-Y350 PolarHBondContact OE1-OH 3.4Å
347	D	71.8	Confident	83.9	Confident	78 Å²	78	38 Å²	38	42%	0.417	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-61.6	-18.8	178	64.4	-62.9	0	0	0	113	R345	R345-D347 VanDerWaalsContact C-N 3.32Å; R345-D347 WeakPolarHBondContact CB-OD1 3.16Å; R345-D347 IonicContact CZ-OD1 3.12Å; R345-D347 IonicContact CZ-OD2 2.68Å; R345-D347 IonicContact NE-OD1 3.91Å; R345-D347 PolarHBondContact NE-OD1 3.02Å; R345-D347 IonicContact NE-OD2 3.41Å; R345-D347 VanDerWaalsContact NH2-CG 3.26Å; R345-D347 IonicContact NH2-OD1 2.9Å; R345-D347 PolarHBondContact NH2-OD1 3.44Å; R345-D347 VanDerWaalsContact NH2-OD1 3.12Å; R345-D347 IonicContact NH2-OD2 3.59Å; R345-D347 PolarHBondContact NH2-OD2 2.75Å; R345-D347 PolarHBondContact O-N 3.06Å
348	L	73.8	Confident	83.5	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-98.6	-1.5	178.7	-52.9	-171.6	0	0	0	113.1	S128 Y186 R345 E346 R351	S128-L348 PolarHBondContact OG-O 2.56Å; Y186-L348 HydrophobicContact CD1-CD2 4.41Å; Y186-L348 HydrophobicContact CD2-CD2 3.93Å; Y186-L348 HydrophobicContact CE1-CD2 3.81Å; Y186-L348 HydrophobicContact CE2-CD2 3.24Å; Y186-L348 HydrophobicContact CE2-CG 4.48Å; Y186-L348 HydrophobicContact CG-CD2 4.46Å; Y186-L348 WeakPolarHBondContact OH-CD1 3.46Å; Y186-L348 WeakPolarHBondContact OH-CD2 3.05Å; R345-L348 HydrophobicContact CB-CB 4.09Å; R345-L348 HydrophobicContact CB-CD1 3.71Å; R345-L348 HydrophobicContact CB-CG 3.66Å; R345-L348 HydrophobicContact CG-CD1 4.26Å; R345-L348 PolarHBondContact O-N 2.94Å; R345-L348 VanDerWaalsContact O-N 3.15Å; E346-L348 PolarHBondContact O-N 3.39Å; L348-R351 HydrophobicContact CB-CG 3.28Å; L348-R351 HydrophobicContact CD1-CG 4.18Å; L348-R351 HydrophobicContact CG-CG 4.38Å; L348-R351 WeakPolarHBondContact O-CD 3.49Å; L348-R351 WeakPolarHBondContact O-CG 3.48Å
349	G	73.8	Confident	83.1	Confident	44 Å²	44	42.6 Å²	42.6	45%	0.454	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	42.2	-171.5	0	0	0	0	0	112.7	E346 R351	E346-G349 PolarHBondContact O-N 3.41Å; G349-R351 PolarHBondContact O-N 2.93Å
350	Y	81.2	Confident	82.8	Confident	97 Å²	97	44.7 Å²	44.7	38%	0.38	23%	0.23	S	C	.	.	S	Bend	trans	61.1	39.9	179.1	-58.5	-76.9	0	0	0	114.3	P235 M344 R345 E346	P235-Y350 HydrophobicContact CB-CD1 4.29Å; P235-Y350 HydrophobicContact CB-CG 4.33Å; P235-Y350 HydrophobicContact CG-CD1 3.65Å; P235-Y350 HydrophobicContact CG-CE1 4.2Å; P235-Y350 HydrophobicContact CG-CG 4.15Å; M344-Y350 WeakPolarHBondContact CG-O 3.32Å; R345-Y350 WeakPolarHBondContact O-CA 3.16Å; R345-Y350 PolarHBondContact O-N 3.12Å; E346-Y350 HydrophobicContact CB-CE1 4.17Å; E346-Y350 HydrophobicContact CG-CD1 4.16Å; E346-Y350 HydrophobicContact CG-CE1 3.55Å; E346-Y350 WeakPolarHBondContact OE1-CE1 3.15Å; E346-Y350 PolarHBondContact OE1-OH 3.4Å
351	R	86.6	Confident	82.9	Confident	24 Å²	24	47 Å²	47	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.2	171.3	62.1	-178.4	-126.3	-102.7	-11.4	111.2	Y186 E191 R345 L348 G349	Y186-R351 VanDerWaalsContact CZ-NH2 3.3Å; Y186-R351 PolarHBondContact OH-NH2 2.9Å; E191-R351 IonicContact OE1-CZ 2.7Å; E191-R351 IonicContact OE1-NH2 2.93Å; E191-R351 PolarHBondContact OE1-NH2 2.87Å; E191-R351 IonicContact OE2-NH2 3.9Å; E191-R351 PolarHBondContact OE2-NH2 3.26Å; R345-R351 PolarHBondContact N-O 2.82Å; L348-R351 HydrophobicContact CB-CG 3.28Å; L348-R351 HydrophobicContact CD1-CG 4.18Å; L348-R351 HydrophobicContact CG-CG 4.38Å; L348-R351 WeakPolarHBondContact O-CD 3.49Å; L348-R351 WeakPolarHBondContact O-CG 3.48Å; G349-R351 PolarHBondContact O-N 2.93Å
352	C	90.9	Very high	83.3	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	149.3	173.3	-81.4	0	0	0	0	111.5	Y238 C339 G354 S355 F397	Y238-C352 PolarHBondContact OH-N 2.03Å; C339-C352 VanDerWaalsContact CA-SG 3.59Å; C339-C352 HydrophobicContact CB-CB 3.88Å; C339-C352 WeakPolarHBondContact CB-SG 3.33Å; C339-C352 WeakPolarHBondContact SG-CB 3.23Å; C339-C352 PolarHBondContact SG-N 2.91Å; C339-C352 CovalentContact SG-SG 2.01Å; C339-C352 PolarHBondContact SG-SG 3.03Å; C352-G354 PolarHBondContact O-N 2.97Å; C352-S355 WeakPolarHBondContact O-CB 3.47Å; C352-S355 PolarHBondContact O-N 3.21Å; C352-S355 VanDerWaalsContact O-N 3.16Å; C352-S355 PolarHBondContact O-OG 3.22Å; C352-S355 VanDerWaalsContact O-OG 3.08Å; C352-F397 HydrophobicContact CB-CB 3.61Å; C352-F397 HydrophobicContact CB-CD1 4.27Å; C352-F397 HydrophobicContact CB-CD2 4Å; C352-F397 HydrophobicContact CB-CG 3.71Å; C352-F397 VanDerWaalsContact SG-CB 3.5Å
353	T	88.4	Confident	83.9	Confident	51 Å²	51	47.2 Å²	47.2	31%	0.313	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	129	175.5	-54.5	0	0	0	0	110.5	E191 R345 S355	E191-T353 HydrophobicContact CB-CG2 4.45Å; E191-T353 HydrophobicContact CG-CG2 4.17Å; R345-T353 WeakPolarHBondContact CD-OG1 3.44Å; T353-S355 PolarHBondContact O-N 2.67Å
354	G	89	Confident	84.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-0.2	179.2	0	0	0	0	0	115.1	E191 C352 G356 T362	E191-G354 PolarHBondContact OE2-N 3.14Å; C352-G354 PolarHBondContact O-N 2.97Å; G354-G356 PolarHBondContact O-N 3.18Å; G354-G356 VanDerWaalsContact O-N 3.14Å; G354-T362 PolarHBondContact O-OG1 3.27Å
355	S	90	Very high	84.5	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.226	C	C	.	.			trans	-60.6	-23.2	174.6	75.7	0	0	0	0	112.3	Y238 Y242 C352 T353 M378	Y238-S355 WeakPolarHBondContact OH-CB 3.33Å; Y238-S355 PolarHBondContact OH-OG 2.83Å; Y242-S355 VanDerWaalsContact CE1-O 3.3Å; Y242-S355 WeakPolarHBondContact CE1-O 3.3Å; Y242-S355 PolarHBondContact OH-O 3.45Å; Y242-S355 VanDerWaalsContact OH-O 3.04Å; C352-S355 WeakPolarHBondContact O-CB 3.47Å; C352-S355 PolarHBondContact O-N 3.21Å; C352-S355 VanDerWaalsContact O-N 3.16Å; C352-S355 PolarHBondContact O-OG 3.22Å; C352-S355 VanDerWaalsContact O-OG 3.08Å; T353-S355 PolarHBondContact O-N 2.67Å; S355-M378 WeakPolarHBondContact O-CE 3.47Å
356	G	82.9	Confident	84.5	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	21%	0.209	C	C	.	.			trans	62.6	-165.8	179.7	0	0	0	0	0	113.2	G354	G354-G356 PolarHBondContact O-N 3.18Å; G354-G356 VanDerWaalsContact O-N 3.14Å
357	L	80.2	Confident	84.9	Confident	17 Å²	17	38.2 Å²	38.2	9%	0.089	19%	0.191	C	C	.	.			trans	-117.1	160.2	173.1	-60.2	-177.9	0	0	0	109.6	T127 Y141 I188 N359 I360	T127-L357 HydrophobicContact CG2-CD1 4.08Å; T127-L357 HydrophobicContact CG2-CD2 3.42Å; T127-L357 VanDerWaalsContact CG2-CD2 3.42Å; T127-L357 HydrophobicContact CG2-CG 4.28Å; Y141-L357 HydrophobicContact CE2-CB 4.19Å; I188-L357 HydrophobicContact CD1-CD1 3.67Å; I188-L357 HydrophobicContact CD1-CG 3.95Å; I188-L357 HydrophobicContact CG2-CG 4.45Å; L357-N359 PolarHBondContact O-N 3.19Å; L357-I360 HydrophobicContact CB-CD1 3.99Å; L357-I360 HydrophobicContact CB-CG1 4.32Å; L357-I360 HydrophobicContact CD1-CD1 4.21Å; L357-I360 PolarHBondContact O-N 3.03Å; L357-I360 VanDerWaalsContact O-N 3.16Å
358	P	82.9	Confident	84.8	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.084	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-51	135.4	176.2	-25.7	31	0	0	0	113.2	Y141 I360 M378	Y141-P358 HydrophobicContact CD1-CB 3.6Å; Y141-P358 HydrophobicContact CD1-CG 4.18Å; Y141-P358 HydrophobicContact CD2-CB 3.83Å; Y141-P358 HydrophobicContact CD2-CG 3.45Å; Y141-P358 VanDerWaalsContact CD2-CG 3.45Å; Y141-P358 HydrophobicContact CE1-CB 3.92Å; Y141-P358 WeakPolarHBondContact CE1-O 3.12Å; Y141-P358 HydrophobicContact CE2-CB 4.16Å; Y141-P358 HydrophobicContact CE2-CG 3.91Å; Y141-P358 HydrophobicContact CG-CB 3.52Å; Y141-P358 HydrophobicContact CG-CG 3.59Å; Y141-P358 PolarHBondContact OH-O 2.82Å; P358-I360 PolarHBondContact O-N 3.11Å; P358-M378 WeakPolarHBondContact CA-O 3.39Å; P358-M378 HydrophobicContact CB-SD 4.3Å; P358-M378 HydrophobicContact CG-SD 3.61Å
359	N	79.9	Confident	84.5	Confident	84 Å²	84	45.9 Å²	45.9	45%	0.449	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	6.2	-179.1	-60.6	-41.4	0	0	0	116.7	L357 M378	L357-N359 PolarHBondContact O-N 3.19Å; N359-M378 PolarHBondContact N-O 3.14Å
360	I	83.4	Confident	84.3	Confident	44 Å²	44	45.5 Å²	45.5	23%	0.226	21%	0.209	C	C	.	.			trans	-95.5	131.1	171.5	-57.8	-172.4	0	0	0	108.7	K189 L357 P358	K189-I360 HydrophobicContact CG-CG2 3.96Å; L357-I360 HydrophobicContact CB-CD1 3.99Å; L357-I360 HydrophobicContact CB-CG1 4.32Å; L357-I360 HydrophobicContact CD1-CD1 4.21Å; L357-I360 PolarHBondContact O-N 3.03Å; L357-I360 VanDerWaalsContact O-N 3.16Å; P358-I360 PolarHBondContact O-N 3.11Å
361	E	88.7	Confident	84.2	Confident	73 Å²	73	44.7 Å²	44.7	34%	0.341	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.2	173.7	-68.1	-166.2	147.8	0	0	111.2	T245 R375 F376 R377	T245-E361 WeakPolarHBondContact CB-OE1 2.92Å; T245-E361 HydrophobicContact CG2-CG 4.42Å; T245-E361 WeakPolarHBondContact CG2-OE1 3.34Å; T245-E361 PolarHBondContact OG1-OE1 3.49Å; E361-R375 IonicContact OE2-CZ 3.84Å; E361-R375 IonicContact OE2-NH1 2.65Å; E361-R375 PolarHBondContact OE2-NH1 2.72Å; E361-F376 VanDerWaalsContact CA-O 3.28Å; E361-F376 WeakPolarHBondContact CA-O 2.84Å; E361-R377 HydrophobicContact CG-CB 4.32Å
362	T	90.4	Very high	84.2	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	163.6	170.1	54.6	0	0	0	0	110.4	I188 G354 R375 F376	I188-T362 HydrophobicContact CG2-CG2 4.26Å; I188-T362 WeakPolarHBondContact O-CG2 3.29Å; G354-T362 PolarHBondContact O-OG1 3.27Å; T362-R375 VanDerWaalsContact O-CA 3.29Å; T362-R375 WeakPolarHBondContact O-CA 3.19Å; T362-F376 PolarHBondContact N-O 3.05Å; T362-F376 PolarHBondContact O-N 2.9Å; T362-F376 WeakPolarHBondContact OG1-CD1 3.22Å; T362-F376 WeakPolarHBondContact OG1-CE1 3.21Å
363	R	93.9	Very high	84.2	Confident	122 Å²	122	47.1 Å²	47.1	46%	0.46	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	149.3	-178.6	-63.5	-178.7	-72.2	-178.7	-2	109.9	A190 E191 V192 A193 G374 R375	A190-R363 PolarHBondContact O-NH2 2.94Å; E191-R363 PolarHBondContact O-N 2.8Å; V192-R363 CarbonylContact C-O 3.54Å; V192-R363 WeakPolarHBondContact CA-O 3.39Å; V192-R363 HydrophobicContact CG1-CB 4.5Å; V192-R363 HydrophobicContact CG2-CB 4.04Å; A193-R363 PolarHBondContact N-O 2.98Å; R363-G374 WeakPolarHBondContact CA-O 3.5Å; R363-R375 HydrophobicContact CG-CG 4.3Å
364	W	93.8	Very high	84.4	Confident	2 Å²	2	45 Å²	45	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.6	173.2	60.9	-95.6	0	0	0	111.2	A193 L195 I244 T247 L329 A366 Q373 G374 R375 F376	A193-W364 HydrophobicContact CB-CB 4.01Å; A193-W364 CarbonylContact O-C 3.56Å; A193-W364 VanDerWaalsContact O-CA 3.24Å; A193-W364 WeakPolarHBondContact O-CA 3.28Å; L195-W364 HydrophobicContact CD1-CB 3.89Å; L195-W364 HydrophobicContact CD1-CD2 4.03Å; L195-W364 HydrophobicContact CD1-CE3 4.01Å; L195-W364 HydrophobicContact CD1-CG 3.99Å; L195-W364 HydrophobicContact CG-CB 4.2Å; I244-W364 HydrophobicContact CD1-CZ2 4.05Å; I244-W364 HydrophobicContact CG2-CZ2 4.08Å; T247-W364 HydrophobicContact CG2-CH2 4Å; T247-W364 HydrophobicContact CG2-CZ2 3.68Å; L329-W364 HydrophobicContact CB-CH2 3.91Å; L329-W364 HydrophobicContact CB-CZ2 4.4Å; L329-W364 HydrophobicContact CD1-CE3 4.28Å; L329-W364 HydrophobicContact CD1-CH2 3.5Å; L329-W364 HydrophobicContact CD1-CZ2 4.24Å; L329-W364 HydrophobicContact CD1-CZ3 3.53Å; L329-W364 HydrophobicContact CG-CH2 4.35Å; W364-A366 HydrophobicContact CE3-CB 4.48Å; W364-A366 HydrophobicContact CZ3-CB 4.03Å; W364-Q373 VanDerWaalsContact O-CA 3.29Å; W364-Q373 WeakPolarHBondContact O-CA 3.35Å; W364-Q373 VanDerWaalsContact O-CB 3.3Å; W364-Q373 WeakPolarHBondContact O-CB 3.45Å; W364-G374 PolarHBondContact N-O 3.19Å; W364-G374 PolarHBondContact O-N 3.01Å; W364-R375 VanDerWaalsContact CD1-C 3.41Å; W364-R375 PolarHBondContact NE1-O 3.44Å; W364-F376 HydrophobicContact CB-CD1 4.41Å; W364-F376 HydrophobicContact CB-CD2 4.39Å; W364-F376 HydrophobicContact CB-CE1 4.07Å; W364-F376 HydrophobicContact CB-CE2 4.07Å; W364-F376 HydrophobicContact CB-CZ 3.91Å; W364-F376 AromaticContact CD1-CD1 3.6Å; W364-F376 AromaticContact CD1-CD2 3.57Å; W364-F376 AromaticContact CD1-CG 3.3Å; W364-F376 HydrophobicContact CG-CD1 4.36Å; W364-F376 HydrophobicContact CG-CD2 4.07Å; W364-F376 HydrophobicContact CG-CE1 4.48Å; W364-F376 HydrophobicContact CG-CE2 4.23Å; W364-F376 HydrophobicContact CG-CG 4.16Å; W364-F376 HydrophobicContact CG-CZ 4.44Å; W364-F376 AromaticContact NE1-CG 3.92Å
365	R	92.1	Very high	84.7	Confident	89 Å²	89	50 Å²	50	34%	0.336	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.6	170.9	173.8	176.5	-87.4	151.7	0	109.1	V192 A193 H194 L195 D371 Q373	V192-R365 HydrophobicContact CG1-CB 4.27Å; A193-R365 PolarHBondContact O-N 3.36Å; H194-R365 WeakPolarHBondContact CA-O 2.99Å; L195-R365 PolarHBondContact N-O 2.82Å; R365-D371 IonicContact CZ-OD1 3.35Å; R365-D371 IonicContact NE-OD1 3.13Å; R365-D371 PolarHBondContact NE-OD1 3.03Å; R365-D371 IonicContact NH2-OD1 2.63Å; R365-D371 PolarHBondContact NH2-OD1 3.21Å; R365-D371 IonicContact NH2-OD2 3.07Å; R365-Q373 HydrophobicContact CB-CB 4.22Å
366	A	86.4	Confident	84.9	Confident	3 Å²	3	50 Å²	50	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.7	173.7	0	0	0	0	0	109.9	L329 W364 T369 C372	L329-A366 HydrophobicContact CD1-CB 4.36Å; W364-A366 HydrophobicContact CE3-CB 4.48Å; W364-A366 HydrophobicContact CZ3-CB 4.03Å; A366-T369 HydrophobicContact CB-CG2 4.41Å; A366-T369 PolarHBondContact O-OG1 3.12Å; A366-T369 VanDerWaalsContact O-OG1 3.09Å; A366-C372 HydrophobicContact CB-CB 4.27Å; A366-C372 PolarHBondContact N-O 3.01Å
367	L	82.7	Confident	85.3	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.257	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	153.3	175.8	-61.7	-177.7	0	0	0	110.8	H194 L195 L196 T369 V398	H194-L367 HydrophobicContact CB-CD1 4.07Å; H194-L367 HydrophobicContact CB-CD2 4.03Å; H194-L367 HydrophobicContact CB-CG 4.08Å; L195-L367 PolarHBondContact O-N 3.14Å; L196-L367 HydrophobicContact CB-CD1 4.38Å; L196-L367 HydrophobicContact CD1-CB 4.23Å; L196-L367 HydrophobicContact CD1-CD1 4.45Å; L367-T369 PolarHBondContact O-N 3.35Å; L367-V398 HydrophobicContact CD1-CB 4.1Å; L367-V398 HydrophobicContact CD1-CG1 4.37Å; L367-V398 HydrophobicContact CD1-CG2 4.4Å
368	R	70.2	Confident	85.8	Confident	208 Å²	208	53.5 Å²	53.5	79%	0.785	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	21.5	178.9	-57.6	-177.5	170.8	174.6	-2.6	115.7
369	T	67.2	Low	86.1	Confident	34 Å²	34	54.8 Å²	54.8	21%	0.209	25%	0.249	C	C	.	.	S	Bend	trans	-123.3	169.7	173.8	61.7	0	0	0	0	111.1	S326 A366 L367 D371 C372	S326-T369 WeakPolarHBondContact OG-CG2 3.38Å; A366-T369 HydrophobicContact CB-CG2 4.41Å; A366-T369 PolarHBondContact O-OG1 3.12Å; A366-T369 VanDerWaalsContact O-OG1 3.09Å; L367-T369 PolarHBondContact O-N 3.35Å; T369-D371 PolarHBondContact O-N 2.95Å; T369-C372 WeakPolarHBondContact OG1-CB 3.3Å
370	S	70.4	Confident	86.5	Confident	37 Å²	37	51.6 Å²	51.6	26%	0.259	23%	0.233	S	C	.	.	S	Bend	trans	-69.7	59.8	-178.5	41.6	0	0	0	0	114.1	A250 N255 C372	A250-S370 VanDerWaalsContact CB-O 3.23Å; A250-S370 WeakPolarHBondContact CB-O 3.47Å; N255-S370 VanDerWaalsContact CG-CB 3.41Å; N255-S370 WeakPolarHBondContact ND2-CB 3.46Å; N255-S370 PolarHBondContact ND2-N 3.35Å; N255-S370 PolarHBondContact ND2-OG 2.94Å; N255-S370 WeakPolarHBondContact OD1-CB 3.33Å; N255-S370 PolarHBondContact OD1-OG 3.19Å; S370-C372 PolarHBondContact O-N 3.37Å
371	D	78.7	Confident	86.6	Confident	80 Å²	80	50.5 Å²	50.5	43%	0.428	23%	0.228	S	C	.	.	S	Bend	trans	57.5	35.4	-176.6	-161.4	32.7	0	0	0	113.2	N248 R365 T369 Q373	N248-D371 PolarHBondContact ND2-O 3.27Å; R365-D371 IonicContact CZ-OD1 3.35Å; R365-D371 IonicContact NE-OD1 3.13Å; R365-D371 PolarHBondContact NE-OD1 3.03Å; R365-D371 IonicContact NH2-OD1 2.63Å; R365-D371 PolarHBondContact NH2-OD1 3.21Å; R365-D371 IonicContact NH2-OD2 3.07Å; T369-D371 PolarHBondContact O-N 2.95Å; D371-Q373 PolarHBondContact O-N 3.06Å
372	C	85.9	Confident	86.5	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.007	23%	0.226	C	C	.	.			trans	-68.5	118	171.2	170.2	0	0	0	0	109.1	C251 A366 T369 S370	C251-C372 VanDerWaalsContact CA-SG 3.59Å; C251-C372 HydrophobicContact CB-CB 4.03Å; C251-C372 WeakPolarHBondContact CB-SG 3.38Å; C251-C372 WeakPolarHBondContact SG-CA 3.15Å; C251-C372 WeakPolarHBondContact SG-CB 3.1Å; C251-C372 CovalentContact SG-SG 2.04Å; C251-C372 PolarHBondContact SG-SG 3.4Å; A366-C372 HydrophobicContact CB-CB 4.27Å; A366-C372 PolarHBondContact N-O 3.01Å; T369-C372 WeakPolarHBondContact OG1-CB 3.3Å; S370-C372 PolarHBondContact O-N 3.37Å
373	Q	91.1	Very high	86.3	Confident	75 Å²	75	54 Å²	54	35%	0.35	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.1	-177.1	63.4	177.7	22.7	0	0	110.6	N248 W364 R365 D371	N248-Q373 PolarHBondContact N-O 2.97Å; N248-Q373 PolarHBondContact OD1-N 2.99Å; N248-Q373 PolarHBondContact OD1-O 2.7Å; W364-Q373 VanDerWaalsContact O-CA 3.29Å; W364-Q373 WeakPolarHBondContact O-CA 3.35Å; W364-Q373 VanDerWaalsContact O-CB 3.3Å; W364-Q373 WeakPolarHBondContact O-CB 3.45Å; R365-Q373 HydrophobicContact CB-CB 4.22Å; D371-Q373 PolarHBondContact O-N 3.06Å
374	G	93	Very high	85.8	Confident	8 Å²	8	56.9 Å²	56.9	8%	0.082	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-163	-173.9	0	0	0	0	0	113.6	Y246 R363 W364	Y246-G374 CarbonylContact O-C 3.6Å; Y246-G374 WeakPolarHBondContact O-CA 3.34Å; R363-G374 WeakPolarHBondContact CA-O 3.5Å; W364-G374 PolarHBondContact N-O 3.19Å; W364-G374 PolarHBondContact O-N 3.01Å
375	R	94.6	Very high	85.1	Confident	105 Å²	105	60.6 Å²	60.6	40%	0.396	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.2	170.5	-66.4	178.2	-70.9	154.1	-5.6	109.7	T245 Y246 E361 T362 R363 W364	T245-R375 PolarHBondContact N-O 2.03Å; T245-R375 WeakPolarHBondContact OG1-CB 3.49Å; T245-R375 PolarHBondContact OG1-O 3.28Å; Y246-R375 PolarHBondContact N-O 2.76Å; Y246-R375 PolarHBondContact O-N 3.3Å; E361-R375 IonicContact OE2-CZ 3.84Å; E361-R375 IonicContact OE2-NH1 2.65Å; E361-R375 PolarHBondContact OE2-NH1 2.72Å; T362-R375 VanDerWaalsContact O-CA 3.29Å; T362-R375 WeakPolarHBondContact O-CA 3.19Å; R363-R375 HydrophobicContact CG-CG 4.3Å; W364-R375 VanDerWaalsContact CD1-C 3.41Å; W364-R375 PolarHBondContact NE1-O 3.44Å
376	F	94.2	Very high	84.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	165.2	174	63.2	1.3	0	0	0	109.8	A193 L195 Y242 E243 I244 I335 E361 T362 W364 F397	A193-F376 HydrophobicContact CB-CE1 4.21Å; A193-F376 HydrophobicContact CB-CZ 3.7Å; L195-F376 HydrophobicContact CD1-CD2 4.39Å; L195-F376 HydrophobicContact CD1-CE2 3.84Å; L195-F376 HydrophobicContact CD2-CE2 4.06Å; L195-F376 HydrophobicContact CD2-CZ 4.42Å; L195-F376 HydrophobicContact CG-CE2 4.46Å; Y242-F376 HydrophobicContact CD1-CD1 4.1Å; Y242-F376 AromaticContact CD1-CD2 3.77Å; Y242-F376 HydrophobicContact CD1-CD2 3.77Å; Y242-F376 HydrophobicContact CD1-CE1 4.15Å; Y242-F376 AromaticContact CD1-CE2 3.81Å; Y242-F376 HydrophobicContact CD1-CE2 3.81Å; Y242-F376 AromaticContact CD1-CG 3.91Å; Y242-F376 HydrophobicContact CD1-CG 3.91Å; Y242-F376 AromaticContact CD1-CZ 3.99Å; Y242-F376 HydrophobicContact CD1-CZ 3.99Å; Y242-F376 HydrophobicContact CE1-CE1 4.27Å; Y242-F376 HydrophobicContact CE1-CE2 4.28Å; Y242-F376 HydrophobicContact CE1-CZ 4.08Å; Y242-F376 AromaticContact CG-CD2 3.91Å; Y242-F376 HydrophobicContact CG-CD2 3.91Å; Y242-F376 HydrophobicContact CG-CE2 4.01Å; Y242-F376 HydrophobicContact CG-CG 4.4Å; E243-F376 CarbonylContact O-C 3.51Å; E243-F376 VanDerWaalsContact O-CA 3.23Å; E243-F376 WeakPolarHBondContact O-CA 3.43Å; E243-F376 VanDerWaalsContact O-CB 3.31Å; E243-F376 WeakPolarHBondContact O-CB 3.32Å; I244-F376 HydrophobicContact CD1-CB 4.01Å; I244-F376 HydrophobicContact CD1-CD2 4.26Å; I335-F376 HydrophobicContact CD1-CD2 4.29Å; E361-F376 VanDerWaalsContact CA-O 3.28Å; E361-F376 WeakPolarHBondContact CA-O 2.84Å; T362-F376 PolarHBondContact N-O 3.05Å; T362-F376 PolarHBondContact O-N 2.9Å; T362-F376 WeakPolarHBondContact OG1-CD1 3.22Å; T362-F376 WeakPolarHBondContact OG1-CE1 3.21Å; W364-F376 HydrophobicContact CB-CD1 4.41Å; W364-F376 HydrophobicContact CB-CD2 4.39Å; W364-F376 HydrophobicContact CB-CE1 4.07Å; W364-F376 HydrophobicContact CB-CE2 4.07Å; W364-F376 HydrophobicContact CB-CZ 3.91Å; W364-F376 AromaticContact CD1-CD1 3.6Å; W364-F376 AromaticContact CD1-CD2 3.57Å; W364-F376 AromaticContact CD1-CG 3.3Å; W364-F376 HydrophobicContact CG-CD1 4.36Å; W364-F376 HydrophobicContact CG-CD2 4.07Å; W364-F376 HydrophobicContact CG-CE1 4.48Å; W364-F376 HydrophobicContact CG-CE2 4.23Å; W364-F376 HydrophobicContact CG-CG 4.16Å; W364-F376 HydrophobicContact CG-CZ 4.44Å; W364-F376 AromaticContact NE1-CG 3.92Å; F376-F397 HydrophobicContact CZ-CE1 4.08Å; F376-F397 HydrophobicContact CZ-CZ 4.35Å
377	R	91.4	Very high	84.1	Confident	92 Å²	92	59.9 Å²	59.9	35%	0.347	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.2	171.9	64.5	-176.3	-179.4	179.7	-1.9	109.5	Y242 E243 T245 E361 V379	Y242-R377 CarbonylContact C-O 3.57Å; Y242-R377 VanDerWaalsContact CA-O 3.25Å; Y242-R377 WeakPolarHBondContact CA-O 3.4Å; E243-R377 HydrophobicContact CB-CG 4.34Å; E243-R377 PolarHBondContact N-O 2.75Å; E243-R377 PolarHBondContact O-N 2.91Å; E243-R377 IonicContact OE1-NH2 2.62Å; E243-R377 IonicContact OE2-CZ 3.88Å; E243-R377 VanDerWaalsContact OE2-CZ 3.24Å; E243-R377 IonicContact OE2-NE 3.72Å; E243-R377 PolarHBondContact OE2-NE 2.76Å; E243-R377 IonicContact OE2-NH2 3.61Å; E243-R377 PolarHBondContact OE2-NH2 3.22Å; T245-R377 HydrophobicContact CG2-CB 4.4Å; T245-R377 HydrophobicContact CG2-CG 3.85Å; E361-R377 HydrophobicContact CG-CB 4.32Å; R377-V379 HydrophobicContact CG-CG1 4.08Å; R377-V379 PolarHBondContact O-N 2.71Å
378	M	91.2	Very high	83.9	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.8	174.5	179.8	-168.5	-64.7	0	0	109.1	A240 Y242 S355 P358 N359 S380 P382	A240-M378 HydrophobicContact CB-CE 4.29Å; A240-M378 HydrophobicContact CB-CG 4.14Å; A240-M378 HydrophobicContact CB-SD 4.34Å; Y242-M378 HydrophobicContact CD1-CB 3.93Å; Y242-M378 HydrophobicContact CE1-CB 3.63Å; Y242-M378 HydrophobicContact CE1-CE 4.16Å; Y242-M378 HydrophobicContact CE1-CG 4.25Å; Y242-M378 WeakPolarHBondContact OH-CE 3.29Å; S355-M378 WeakPolarHBondContact O-CE 3.47Å; P358-M378 WeakPolarHBondContact CA-O 3.39Å; P358-M378 HydrophobicContact CB-SD 4.3Å; P358-M378 HydrophobicContact CG-SD 3.61Å; N359-M378 PolarHBondContact N-O 3.14Å; M378-S380 WeakPolarHBondContact CG-O 3.5Å; M378-S380 VanDerWaalsContact SD-O 3.39Å; M378-P382 HydrophobicContact CE-CG 3.82Å; M378-P382 HydrophobicContact SD-CG 3.52Å; M378-P382 VanDerWaalsContact SD-CG 3.52Å
379	V	89.4	Confident	83.5	Confident	40 Å²	40	49.5 Å²	49.5	24%	0.242	26%	0.26	C	S	.	.			trans	-104.2	-6.7	-177.9	-65.6	0	0	0	0	113	V241 E243 R377	V241-V379 HydrophobicContact CB-CG2 4.1Å; V241-V379 HydrophobicContact CG1-CG2 3.8Å; V241-V379 WeakPolarHBondContact O-CG2 3.32Å; V241-V379 PolarHBondContact O-N 3.25Å; E243-V379 HydrophobicContact CB-CG1 3.6Å; E243-V379 HydrophobicContact CB-CG2 4.47Å; R377-V379 HydrophobicContact CG-CG1 4.08Å; R377-V379 PolarHBondContact O-N 2.71Å
380	S	87.7	Confident	83.2	Confident	16 Å²	16	60.3 Å²	60.3	11%	0.112	30%	0.297	C	S	.	.	S	Bend	trans	-122.7	152.7	174.3	77.6	0	0	0	0	113.6	V241 M378	V241-S380 PolarHBondContact N-OG 2.92Å; V241-S380 PolarHBondContact O-N 3.13Å; M378-S380 WeakPolarHBondContact CG-O 3.5Å; M378-S380 VanDerWaalsContact SD-O 3.39Å
381	I	85.1	Confident	82.5	Confident	22 Å²	22	60.6 Å²	60.6	11%	0.113	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65	130	167.7	-65.5	164	0	0	0	107.6	Q143 Q383	Q143-I381 HydrophobicContact CB-CD1 4.49Å; Q143-I381 HydrophobicContact CG-CD1 3.94Å; Q143-I381 HydrophobicContact CG-CG1 3.89Å; Q143-I381 VanDerWaalsContact OE1-N 3.16Å; I381-Q383 PolarHBondContact O-N 3.13Å; I381-Q383 PolarHBondContact O-NE2 2.98Å
382	P	87.5	Confident	81.5	Confident	46 Å²	46	62.8 Å²	62.8	30%	0.299	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-55.8	122.2	174.8	-26.4	35.5	0	0	0	111.1	Y238 A240 M378	Y238-P382 HydrophobicContact CD2-CB 3.82Å; Y238-P382 HydrophobicContact CE2-CB 4.33Å; Y238-P382 HydrophobicContact CG-CB 4.39Å; A240-P382 HydrophobicContact CB-CB 4.39Å; A240-P382 HydrophobicContact CB-CG 4.28Å; M378-P382 HydrophobicContact CE-CG 3.82Å; M378-P382 HydrophobicContact SD-CG 3.52Å; M378-P382 VanDerWaalsContact SD-CG 3.52Å
383	Q	86.2	Confident	81	Confident	101 Å²	101	63 Å²	63	47%	0.472	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.5	177.6	-60.7	-56.7	-50.8	0	0	108.8	Y238 C239 I381 C386	Y238-Q383 WeakPolarHBondContact CA-O 3.28Å; Y238-Q383 WeakPolarHBondContact CB-O 3.42Å; C239-Q383 PolarHBondContact N-O 3.47Å; C239-Q383 VanDerWaalsContact N-O 3.13Å; C239-Q383 PolarHBondContact O-N 3.07Å; I381-Q383 PolarHBondContact O-N 3.13Å; I381-Q383 PolarHBondContact O-NE2 2.98Å; Q383-C386 HydrophobicContact CB-CB 4.46Å; Q383-C386 WeakPolarHBondContact CB-SG 3.44Å; Q383-C386 PolarHBondContact O-SG 3.08Å
384	R	83.1	Confident	80.4	Confident	184 Å²	184	59.8 Å²	59.8	69%	0.694	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	154.9	176.9	-68.5	-177	178	-128.7	-1.1	110.6	C386	R384-C386 PolarHBondContact O-N 3.35Å
385	S	79	Confident	80	Confident	79 Å²	79	59.4 Å²	59.4	55%	0.552	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	35.8	175.7	-35.5	0	0	0	0	112.6	D236 P237	D236-S385 PolarHBondContact OD2-OG 3.23Å; P237-S385 WeakPolarHBondContact O-CA 3.49Å; P237-S385 PolarHBondContact O-N 3.27Å
386	C	80.1	Confident	79.6	Confident	28 Å²	28	54.9 Å²	54.9	19%	0.189	29%	0.289	C	S	.	.			trans	-130.6	154.8	-179.2	71.5	0	0	0	0	112.9	P237 C239 Q383 R384	P237-C386 PolarHBondContact O-N 3.34Å; C239-C386 VanDerWaalsContact CA-SG 3.51Å; C239-C386 HydrophobicContact CB-CB 4.26Å; C239-C386 WeakPolarHBondContact CB-SG 3.37Å; C239-C386 PolarHBondContact N-SG 3.25Å; C239-C386 WeakPolarHBondContact SG-CB 3.37Å; C239-C386 CovalentContact SG-SG 2.03Å; C239-C386 PolarHBondContact SG-SG 2.87Å; Q383-C386 HydrophobicContact CB-CB 4.46Å; Q383-C386 WeakPolarHBondContact CB-SG 3.44Å; Q383-C386 PolarHBondContact O-SG 3.08Å; R384-C386 PolarHBondContact O-N 3.35Å
387	T	77.9	Confident	79.4	Confident	50 Å²	50	55 Å²	55	31%	0.307	29%	0.29	S	S	.	.			trans	-135.7	143	177.5	59	0	0	0	0	110.2	T206 T338 Y340 G389	T206-T387 HydrophobicContact CG2-CG2 4.27Å; T338-T387 HydrophobicContact CG2-CG2 3.98Å; Y340-T387 HydrophobicContact CE1-CG2 4.05Å; T387-G389 PolarHBondContact O-N 3.39Å
388	C	78	Confident	79.1	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.02	30%	0.295	C	S	.	.			trans	-77.4	105.7	177.5	-61	0	0	0	0	109.2	V202 C336 V337 T338	V202-C388 WeakPolarHBondContact CG1-O 3.44Å; V202-C388 VanDerWaalsContact CG2-O 3.24Å; V202-C388 WeakPolarHBondContact CG2-O 3.48Å; C336-C388 VanDerWaalsContact CA-SG 3.54Å; C336-C388 HydrophobicContact CB-CB 3.59Å; C336-C388 WeakPolarHBondContact CB-SG 3.1Å; C336-C388 PolarHBondContact O-SG 3.42Å; C336-C388 WeakPolarHBondContact SG-CB 3.4Å; C336-C388 CovalentContact SG-SG 2.03Å; C336-C388 PolarHBondContact SG-SG 2.69Å; V337-C388 PolarHBondContact N-SG 2.73Å; T338-C388 WeakPolarHBondContact OG1-CB 3.45Å; T338-C388 PolarHBondContact OG1-N 2.75Å; T338-C388 PolarHBondContact OG1-SG 2.91Å
389	G	62.8	Low	78.5	Confident	36 Å²	36	56.8 Å²	56.8	37%	0.371	31%	0.309	S	S	.	.			trans	-137.2	-2.7	-174	0	0	0	0	0	118.6	T387	T387-G389 PolarHBondContact O-N 3.39Å
390	R	59.5	Low	78	Confident	261 Å²	261	57.7 Å²	57.7	99%	0.985	31%	0.313	S	S	*	.	S	Bend	trans	-127.3	5.6	-174.2	-65.7	-175.1	178.1	179.4	-0.9	114.1
391	G	56.1	Low	77.4	Confident	43 Å²	43	60 Å²	60	44%	0.443	32%	0.324	S	S	.	.	S	Bend	trans	-106.5	153.1	-174.5	0	0	0	0	0	113.1	A393 S394	G391-A393 PolarHBondContact O-N 3.36Å; G391-S394 PolarHBondContact O-OG 2.86Å
392	V	57.9	Low	77	Confident	126 Å²	126	62.2 Å²	62.2	76%	0.764	34%	0.337	S	S	*	.	S	Bend	trans	-59.9	-14	178.4	-64.4	0	0	0	0	114.6	H325	H325-V392 PolarHBondContact CD2-O 2.73Å; H325-V392 PolarHBondContact NE2-O 3.01Å
393	A	74.7	Confident	76.3	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.033	34%	0.339	C	S	.	.	S	Bend	trans	-145.1	84.6	-178.1	0	0	0	0	0	110	I335 C336 G391 F395	I335-A393 HydrophobicContact CB-CB 4.18Å; I335-A393 HydrophobicContact CG2-CB 3.7Å; C336-A393 PolarHBondContact N-O 3.41Å; G391-A393 PolarHBondContact O-N 3.36Å; A393-F395 HydrophobicContact CB-CE2 4.07Å
394	S	79.6	Confident	75.6	Confident	8 Å²	8	60.7 Å²	60.7	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.8	-179	-58.1	0	0	0	0	110.7	V198 C336 G391	V198-S394 PolarHBondContact N-O 2.81Å; C336-S394 WeakPolarHBondContact O-CA 3.34Å; G391-S394 PolarHBondContact O-OG 2.86Å
395	F	84.8	Confident	75.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	163.3	-178.2	-62.4	-93.5	0	0	0	111.4	L195 L196 P197 H325 L329 I335 C336 V337 T338 A393	L195-F395 HydrophobicContact CB-CB 4.46Å; L195-F395 HydrophobicContact CB-CD1 4.03Å; L195-F395 HydrophobicContact CB-CG 4.46Å; L196-F395 CarbonylContact O-C 3.51Å; L196-F395 VanDerWaalsContact O-CA 3.3Å; L196-F395 WeakPolarHBondContact O-CA 3.39Å; P197-F395 HydrophobicContact CB-CD1 4.05Å; P197-F395 HydrophobicContact CB-CE1 3.89Å; H325-F395 WeakPolarHBondContact O-CZ 3.49Å; L329-F395 HydrophobicContact CD1-CE1 4.42Å; L329-F395 HydrophobicContact CD1-CZ 4.1Å; L329-F395 HydrophobicContact CD2-CE2 3.85Å; L329-F395 HydrophobicContact CD2-CZ 3.7Å; L329-F395 HydrophobicContact CG-CZ 4.13Å; I335-F395 HydrophobicContact CB-CD2 4.1Å; I335-F395 HydrophobicContact CB-CE2 4.09Å; I335-F395 HydrophobicContact CD1-CD2 3.84Å; I335-F395 HydrophobicContact CD1-CE2 4.07Å; I335-F395 HydrophobicContact CG2-CE2 4.02Å; C336-F395 PolarHBondContact O-N 3.18Å; V337-F395 CarbonylContact C-O 3.59Å; V337-F395 VanDerWaalsContact CA-O 3.32Å; V337-F395 WeakPolarHBondContact CA-O 3.18Å; V337-F395 HydrophobicContact CB-CB 4.48Å; V337-F395 HydrophobicContact CG1-CB 4.01Å; V337-F395 HydrophobicContact CG2-CB 4.18Å; T338-F395 PolarHBondContact N-O 3.1Å; A393-F395 HydrophobicContact CB-CE2 4.07Å
396	V	86.2	Confident	74.8	Confident	10 Å²	10	49.8 Å²	49.8	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.5	172	169	0	0	0	0	108.7	L196 V198 T338 Y340 V398	L196-V396 PolarHBondContact N-O 2.87Å; L196-V396 PolarHBondContact O-N 2.81Å; V198-V396 HydrophobicContact CG2-CB 4.36Å; V198-V396 HydrophobicContact CG2-CG2 3.48Å; V198-V396 VanDerWaalsContact CG2-CG2 3.48Å; T338-V396 CarbonylContact O-C 3.59Å; T338-V396 VanDerWaalsContact O-CA 3.31Å; T338-V396 WeakPolarHBondContact O-CA 3.38Å; Y340-V396 HydrophobicContact CD2-CG1 3.8Å; Y340-V396 HydrophobicContact CD2-CG2 4.23Å; Y340-V396 HydrophobicContact CE2-CG1 4.11Å; Y340-V396 HydrophobicContact CE2-CG2 3.71Å; V396-V398 HydrophobicContact CG1-CG2 4.41Å
397	F	90.3	Very high	74.4	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.4	167.6	-71.3	-73.9	0	0	0	110	A193 L195 Y242 V337 T338 C339 Y343 C352 F376	A193-F397 HydrophobicContact CB-CD1 3.95Å; A193-F397 HydrophobicContact CB-CE1 3.63Å; L195-F397 HydrophobicContact CD2-CD1 4.05Å; L195-F397 HydrophobicContact CD2-CE1 3.91Å; Y242-F397 HydrophobicContact CE1-CZ 4.33Å; Y242-F397 HydrophobicContact CE2-CE2 4.1Å; Y242-F397 AromaticContact CE2-CZ 3.89Å; Y242-F397 HydrophobicContact CE2-CZ 3.89Å; Y242-F397 AromaticContact CZ-CZ 3.61Å; Y242-F397 VanDerWaalsContact OH-CZ 3.3Å; Y242-F397 WeakPolarHBondContact OH-CZ 3.3Å; V337-F397 HydrophobicContact CB-CD2 4.17Å; V337-F397 HydrophobicContact CB-CE2 3.59Å; V337-F397 HydrophobicContact CB-CZ 3.89Å; V337-F397 HydrophobicContact CG1-CD1 4.12Å; V337-F397 HydrophobicContact CG1-CD2 3.37Å; V337-F397 HydrophobicContact CG1-CE1 4.02Å; V337-F397 HydrophobicContact CG1-CE2 3.25Å; V337-F397 HydrophobicContact CG1-CG 3.8Å; V337-F397 HydrophobicContact CG1-CZ 3.59Å; V337-F397 HydrophobicContact CG2-CZ 4.47Å; T338-F397 PolarHBondContact O-N 3.27Å; C339-F397 HydrophobicContact CB-CD2 3.85Å; Y343-F397 WeakPolarHBondContact CD2-O 3.21Å; C352-F397 HydrophobicContact CB-CB 3.61Å; C352-F397 HydrophobicContact CB-CD1 4.27Å; C352-F397 HydrophobicContact CB-CD2 4Å; C352-F397 HydrophobicContact CB-CG 3.71Å; C352-F397 VanDerWaalsContact SG-CB 3.5Å; F376-F397 HydrophobicContact CZ-CE1 4.08Å; F376-F397 HydrophobicContact CZ-CZ 4.35Å
398	V	84.7	Confident	74.1	Confident	77 Å²	77	51.8 Å²	51.8	47%	0.467	29%	0.292	S	S	.	.			trans	-126.8	0	179.8	-177.3	0	0	0	0	111.3	H194 L196 Y343 L367 V396	H194-V398 PolarHBondContact O-N 3.02Å; H194-V398 VanDerWaalsContact O-N 3.1Å; L196-V398 HydrophobicContact CB-CG2 3.58Å; L196-V398 HydrophobicContact CD2-CG2 4.05Å; L196-V398 HydrophobicContact CG-CG2 4.44Å; Y343-V398 HydrophobicContact CD1-CG1 4.42Å; Y343-V398 WeakPolarHBondContact CD1-OXT 2.92Å; Y343-V398 HydrophobicContact CE1-CB 4.4Å; Y343-V398 HydrophobicContact CE1-CG1 3.83Å; L367-V398 HydrophobicContact CD1-CB 4.1Å; L367-V398 HydrophobicContact CD1-CG1 4.37Å; L367-V398 HydrophobicContact CD1-CG2 4.4Å; V396-V398 HydrophobicContact CG1-CG2 4.41Å

Retrieved 398 of 398 residues in 405.8 ms (Link to these results)

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